NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11431 | 1ri0 | 5902 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -2.919 20.412 -2.285 2 HA MET 1 HA MET 1 -1.171 20.279 -4.323 3 1HB MET 1 1HB MET 1 -1.340 22.028 -2.464 4 2HB MET 1 2HB MET 1 -0.486 20.927 -1.402 5 1HG MET 1 1HG MET 1 1.520 21.559 -2.262 6 2HG MET 1 2HG MET 1 0.998 21.176 -3.890 7 1HE MET 1 1HE MET 1 0.073 22.393 -5.416 8 2HE MET 1 2HE MET 1 -0.377 24.115 -5.432 9 3HE MET 1 3HE MET 1 1.326 23.640 -5.630 10 H SER 2 H SER 2 -1.449 18.075 -1.602 11 HA SER 2 HA SER 2 0.216 16.219 -2.755 12 1HB SER 2 1HB SER 2 2.190 17.390 -2.250 13 2HB SER 2 2HB SER 2 1.550 18.043 -0.756 14 HG SER 2 HG SER 2 1.963 16.154 0.318 15 H ARG 3 H ARG 3 -0.035 14.202 -1.679 16 HA ARG 3 HA ARG 3 -2.175 13.768 -0.212 17 1HB ARG 3 1HB ARG 3 -1.158 11.644 0.506 18 2HB ARG 3 2HB ARG 3 -0.639 12.004 -1.128 19 1HG ARG 3 1HG ARG 3 1.490 12.994 -0.205 20 2HG ARG 3 2HG ARG 3 0.974 12.547 1.409 21 1HD ARG 3 1HD ARG 3 1.523 10.341 1.109 22 2HD ARG 3 2HD ARG 3 0.827 10.288 -0.499 23 HE ARG 3 HE ARG 3 3.614 10.728 0.145 24 1HH1 ARG 3 2HH2 ARG 3 1.120 11.607 -2.178 25 2HH1 ARG 3 1HH2 ARG 3 2.244 11.923 -3.458 26 1HH2 ARG 3 2HH1 ARG 3 5.097 11.146 -1.543 27 2HH2 ARG 3 1HH1 ARG 3 4.521 11.660 -3.094 28 H SER 4 H SER 4 -2.685 13.455 2.085 29 HA SER 4 HA SER 4 -0.868 14.971 3.790 30 1HB SER 4 1HB SER 4 -3.716 15.199 3.313 31 2HB SER 4 2HB SER 4 -3.461 14.772 4.994 32 HG SER 4 HG SER 4 -2.074 16.935 3.656 33 H ASN 5 H ASN 5 -0.020 13.921 5.578 34 HA ASN 5 HA ASN 5 -0.397 11.171 5.788 35 1HB ASN 5 1HB ASN 5 1.032 11.381 7.831 36 2HB ASN 5 2HB ASN 5 1.695 12.306 6.498 37 1HD2 ASN 5 1HD2 ASN 5 0.315 12.366 9.640 38 2HD2 ASN 5 2HD2 ASN 5 0.437 14.065 9.962 39 H ARG 6 H ARG 6 -1.349 9.976 7.660 40 HA ARG 6 HA ARG 6 -3.787 11.094 8.447 41 1HB ARG 6 1HB ARG 6 -4.148 8.985 9.610 42 2HB ARG 6 2HB ARG 6 -3.305 8.620 8.117 43 1HG ARG 6 1HG ARG 6 -1.344 9.193 10.182 44 2HG ARG 6 2HG ARG 6 -2.483 8.012 10.798 45 1HD ARG 6 1HD ARG 6 -1.060 6.545 9.711 46 2HD ARG 6 2HD ARG 6 -2.102 6.918 8.353 47 HE ARG 6 HE ARG 6 -0.294 7.974 7.331 48 1HH1 ARG 6 2HH2 ARG 6 0.256 7.935 10.807 49 2HH1 ARG 6 1HH2 ARG 6 1.834 8.638 10.694 50 1HH2 ARG 6 2HH1 ARG 6 1.789 8.901 7.182 51 2HH2 ARG 6 1HH1 ARG 6 2.712 9.192 8.618 52 H GLN 7 H GLN 7 -4.302 10.583 11.073 53 HA GLN 7 HA GLN 7 -2.408 12.344 12.396 54 1HB GLN 7 1HB GLN 7 -4.794 11.861 13.960 55 2HB GLN 7 2HB GLN 7 -4.222 13.367 13.269 56 1HG GLN 7 1HG GLN 7 -6.296 13.090 12.192 57 2HG GLN 7 2HG GLN 7 -5.179 12.449 11.004 58 1HE2 GLN 7 1HE2 GLN 7 -5.911 10.713 10.070 59 2HE2 GLN 7 2HE2 GLN 7 -6.796 9.414 10.799 60 H LYS 8 H LYS 8 -4.727 9.950 13.795 61 HA LYS 8 HA LYS 8 -2.414 8.679 15.085 62 1HB LYS 8 1HB LYS 8 -3.654 8.399 17.054 63 2HB LYS 8 2HB LYS 8 -3.988 10.044 16.551 64 1HG LYS 8 1HG LYS 8 -5.926 8.379 15.248 65 2HG LYS 8 2HG LYS 8 -5.849 7.845 16.917 66 1HD LYS 8 1HD LYS 8 -5.832 10.588 17.248 67 2HD LYS 8 2HD LYS 8 -6.804 10.439 15.796 68 1HE LYS 8 1HE LYS 8 -8.463 9.124 16.881 69 2HE LYS 8 2HE LYS 8 -7.382 8.648 18.176 70 1HZ LYS 8 1HZ LYS 8 -9.020 10.378 18.762 71 2HZ LYS 8 2HZ LYS 8 -7.476 10.811 19.067 72 3HZ LYS 8 3HZ LYS 8 -8.252 11.420 17.766 73 H GLU 9 H GLU 9 -5.320 8.355 13.126 74 HA GLU 9 HA GLU 9 -4.835 5.477 13.109 75 1HB GLU 9 1HB GLU 9 -7.266 5.229 12.508 76 2HB GLU 9 2HB GLU 9 -7.005 5.886 14.112 77 1HG GLU 9 1HG GLU 9 -7.826 7.978 13.548 78 2HG GLU 9 2HG GLU 9 -7.202 7.906 11.913 79 H TYR 10 H TYR 10 -4.755 4.429 11.067 80 HA TYR 10 HA TYR 10 -3.898 6.042 8.926 81 1HB TYR 10 1HB TYR 10 -3.587 3.865 7.923 82 2HB TYR 10 2HB TYR 10 -3.483 3.520 9.638 83 HD1 TYR 10 1HD TYR 10 -6.346 3.559 10.436 84 HD2 TYR 10 2HD TYR 10 -4.458 1.915 6.967 85 HE1 TYR 10 1HE TYR 10 -8.230 1.866 10.204 86 HE2 TYR 10 2HE TYR 10 -6.347 0.227 6.746 87 HH TYR 10 HH TYR 10 -8.005 -0.791 8.018 88 H LYS 11 H LYS 11 -4.889 6.617 6.967 89 HA LYS 11 HA LYS 11 -7.616 5.785 6.513 90 1HB LYS 11 1HB LYS 11 -8.613 7.931 6.563 91 2HB LYS 11 2HB LYS 11 -7.758 7.751 8.081 92 1HG LYS 11 1HG LYS 11 -6.060 9.267 7.472 93 2HG LYS 11 2HG LYS 11 -6.295 9.007 5.755 94 1HD LYS 11 1HD LYS 11 -8.483 10.283 7.433 95 2HD LYS 11 2HD LYS 11 -7.153 11.249 6.826 96 1HE LYS 11 1HE LYS 11 -8.280 11.441 4.865 97 2HE LYS 11 2HE LYS 11 -7.978 9.737 4.586 98 1HZ LYS 11 1HZ LYS 11 -10.280 10.066 4.507 99 2HZ LYS 11 2HZ LYS 11 -10.006 9.322 5.936 100 3HZ LYS 11 3HZ LYS 11 -10.317 10.925 5.896 101 H CYS 12 H CYS 12 -8.381 7.074 4.376 102 HA CYS 12 HA CYS 12 -6.945 6.157 2.319 103 1HB CYS 12 1HB CYS 12 -9.246 7.433 2.430 104 2HB CYS 12 2HB CYS 12 -8.282 8.831 1.998 105 HG CYS 12 HG CYS 12 -7.129 6.526 0.302 106 H GLY 13 H GLY 13 -5.226 6.924 0.966 107 1HA GLY 13 1HA GLY 13 -3.587 8.387 0.283 108 2HA GLY 13 2HA GLY 13 -3.981 9.478 1.596 109 H ASP 14 H ASP 14 -3.923 6.492 3.065 110 HA ASP 14 HA ASP 14 -1.316 7.024 4.103 111 1HB ASP 14 1HB ASP 14 -3.011 6.384 5.698 112 2HB ASP 14 2HB ASP 14 -3.506 5.007 4.734 113 H LEU 15 H LEU 15 0.550 5.849 3.539 114 HA LEU 15 HA LEU 15 0.147 3.651 1.646 115 1HB LEU 15 1HB LEU 15 1.414 5.581 0.844 116 2HB LEU 15 2HB LEU 15 2.551 5.406 2.165 117 HG LEU 15 HG LEU 15 3.201 4.522 -0.166 118 1HD1 LEU 15 1HD1 LEU 15 4.020 2.274 1.189 119 2HD1 LEU 15 2HD1 LEU 15 4.827 3.861 1.220 120 3HD1 LEU 15 3HD1 LEU 15 3.682 3.419 2.509 121 1HD2 LEU 15 1HD2 LEU 15 0.966 3.287 -0.383 122 2HD2 LEU 15 2HD2 LEU 15 2.442 2.427 -0.883 123 3HD2 LEU 15 3HD2 LEU 15 1.685 2.058 0.684 124 H VAL 16 H VAL 16 0.611 1.588 2.226 125 HA VAL 16 HA VAL 16 2.474 1.159 4.412 126 HB VAL 16 HB VAL 16 0.618 -0.565 5.219 127 1HG1 VAL 16 1HG1 VAL 16 0.118 2.210 6.180 128 2HG1 VAL 16 2HG1 VAL 16 0.469 0.723 7.092 129 3HG1 VAL 16 3HG1 VAL 16 1.788 1.606 6.286 130 1HG2 VAL 16 1HG2 VAL 16 -1.618 0.229 5.057 131 2HG2 VAL 16 2HG2 VAL 16 -1.098 1.768 4.330 132 3HG2 VAL 16 3HG2 VAL 16 -0.960 0.255 3.402 133 H PHE 17 H PHE 17 2.531 -1.466 4.703 134 HA PHE 17 HA PHE 17 3.111 -2.384 2.013 135 1HB PHE 17 1HB PHE 17 4.004 -2.790 4.802 136 2HB PHE 17 2HB PHE 17 3.708 -4.335 4.028 137 HD1 PHE 17 1HD PHE 17 6.183 -2.071 4.726 138 HD2 PHE 17 2HD PHE 17 4.690 -4.337 1.463 139 HE1 PHE 17 1HE PHE 17 8.427 -1.944 3.611 140 HE2 PHE 17 2HE PHE 17 6.935 -4.208 0.348 141 HZ PHE 17 HZ PHE 17 8.776 -3.014 1.435 142 H ALA 18 H ALA 18 1.582 -3.497 0.899 143 HA ALA 18 HA ALA 18 -0.304 -5.098 2.484 144 1HB ALA 18 1HB ALA 18 -0.838 -3.051 0.730 145 2HB ALA 18 2HB ALA 18 -0.958 -4.473 -0.334 146 3HB ALA 18 3HB ALA 18 -1.970 -4.367 1.126 147 H LYS 19 H LYS 19 -0.312 -7.290 2.203 148 HA LYS 19 HA LYS 19 1.380 -8.296 0.022 149 1HB LYS 19 1HB LYS 19 2.088 -10.045 1.394 150 2HB LYS 19 2HB LYS 19 2.096 -8.653 2.458 151 1HG LYS 19 1HG LYS 19 -0.310 -10.512 2.255 152 2HG LYS 19 2HG LYS 19 1.010 -10.821 3.366 153 1HD LYS 19 1HD LYS 19 0.462 -8.141 3.870 154 2HD LYS 19 2HD LYS 19 -1.132 -8.769 3.505 155 1HE LYS 19 1HE LYS 19 0.777 -10.038 5.528 156 2HE LYS 19 2HE LYS 19 -0.500 -8.916 5.958 157 1HZ LYS 19 1HZ LYS 19 -1.643 -10.844 4.367 158 2HZ LYS 19 2HZ LYS 19 -0.702 -11.647 5.432 159 3HZ LYS 19 3HZ LYS 19 -1.859 -10.628 5.971 160 H MET 20 H MET 20 0.664 -10.276 -1.057 161 HA MET 20 HA MET 20 -2.199 -10.714 -0.733 162 1HB MET 20 1HB MET 20 -1.436 -9.256 -2.784 163 2HB MET 20 2HB MET 20 -0.757 -10.737 -3.431 164 1HG MET 20 1HG MET 20 -2.808 -11.529 -4.049 165 2HG MET 20 2HG MET 20 -3.513 -11.155 -2.488 166 1HE MET 20 1HE MET 20 -4.050 -8.948 -6.339 167 2HE MET 20 2HE MET 20 -2.419 -9.564 -5.982 168 3HE MET 20 3HE MET 20 -3.812 -10.673 -5.972 169 H LYS 21 H LYS 21 -2.927 -12.853 -1.744 170 HA LYS 21 HA LYS 21 -1.374 -14.924 -0.738 171 1HB LYS 21 1HB LYS 21 -3.724 -14.820 -2.634 172 2HB LYS 21 2HB LYS 21 -2.979 -16.339 -2.178 173 1HG LYS 21 1HG LYS 21 -3.624 -14.448 0.063 174 2HG LYS 21 2HG LYS 21 -4.991 -15.183 -0.751 175 1HD LYS 21 1HD LYS 21 -2.821 -17.111 -0.145 176 2HD LYS 21 2HD LYS 21 -3.496 -16.361 1.287 177 1HE LYS 21 1HE LYS 21 -5.308 -17.513 -0.869 178 2HE LYS 21 2HE LYS 21 -4.628 -18.541 0.377 179 1HZ LYS 21 1HZ LYS 21 -6.272 -16.150 0.848 180 2HZ LYS 21 2HZ LYS 21 -6.752 -17.701 1.037 181 3HZ LYS 21 3HZ LYS 21 -5.611 -17.072 2.022 182 H GLY 22 H GLY 22 0.498 -15.781 -1.444 183 1HA GLY 22 1HA GLY 22 1.911 -16.760 -2.956 184 2HA GLY 22 2HA GLY 22 0.900 -16.218 -4.281 185 H TYR 23 H TYR 23 0.991 -13.419 -2.708 186 HA TYR 23 HA TYR 23 3.527 -12.611 -3.959 187 1HB TYR 23 1HB TYR 23 0.984 -11.823 -4.545 188 2HB TYR 23 2HB TYR 23 1.217 -10.791 -3.146 189 HD1 TYR 23 1HD TYR 23 3.013 -11.724 -6.313 190 HD2 TYR 23 2HD TYR 23 2.034 -8.649 -3.505 191 HE1 TYR 23 1HE TYR 23 4.199 -10.009 -7.768 192 HE2 TYR 23 2HE TYR 23 3.223 -6.944 -4.969 193 HH TYR 23 HH TYR 23 4.195 -6.575 -6.872 194 HA PRO 24 HA PRO 24 4.801 -11.512 0.050 195 1HB PRO 24 1HB PRO 24 7.143 -10.261 -0.595 196 2HB PRO 24 2HB PRO 24 6.996 -12.001 -0.442 197 1HG PRO 24 1HG PRO 24 7.205 -10.365 -2.897 198 2HG PRO 24 2HG PRO 24 7.484 -12.085 -2.696 199 1HD PRO 24 1HD PRO 24 5.171 -10.844 -3.854 200 2HD PRO 24 2HD PRO 24 5.400 -12.555 -3.546 201 H HIS 25 H HIS 25 5.050 -9.759 1.540 202 HA HIS 25 HA HIS 25 3.285 -7.774 1.163 203 1HB HIS 25 1HB HIS 25 5.349 -8.409 3.016 204 2HB HIS 25 2HB HIS 25 5.507 -6.704 2.640 205 HD1 HIS 25 1HD HIS 25 4.258 -8.345 5.288 206 HD2 HIS 25 2HD HIS 25 2.303 -5.900 2.496 207 HE1 HIS 25 1HE HIS 25 2.138 -7.505 6.435 208 H TRP 26 H TRP 26 3.055 -6.340 -0.474 209 HA TRP 26 HA TRP 26 5.529 -5.190 -1.575 210 1HB TRP 26 1HB TRP 26 3.361 -6.504 -2.847 211 2HB TRP 26 2HB TRP 26 3.255 -4.808 -3.280 212 HD1 TRP 26 HD TRP 26 4.437 -4.514 -5.585 213 HE1 TRP 26 1HE TRP 26 6.631 -5.323 -6.807 214 HE3 TRP 26 3HE TRP 26 6.040 -7.546 -1.830 215 HZ2 TRP 26 2HZ TRP 26 8.743 -7.100 -6.084 216 HZ3 TRP 26 3HZ TRP 26 8.177 -8.784 -2.169 217 HH2 TRP 26 HH TRP 26 9.515 -8.598 -4.207 218 HA PRO 27 HA PRO 27 4.018 -1.338 -0.261 219 1HB PRO 27 1HB PRO 27 5.072 0.385 -2.102 220 2HB PRO 27 2HB PRO 27 5.998 -0.281 -0.771 221 1HG PRO 27 1HG PRO 27 6.086 -1.005 -3.635 222 2HG PRO 27 2HG PRO 27 7.267 -1.336 -2.383 223 1HD PRO 27 1HD PRO 27 5.387 -3.191 -3.502 224 2HD PRO 27 2HD PRO 27 6.488 -3.488 -2.171 225 H ALA 28 H ALA 28 1.833 -1.264 -0.216 226 HA ALA 28 HA ALA 28 0.685 -0.267 -2.732 227 1HB ALA 28 1HB ALA 28 0.263 -2.779 -1.828 228 2HB ALA 28 2HB ALA 28 -0.996 -1.924 -0.905 229 3HB ALA 28 3HB ALA 28 -0.983 -1.837 -2.681 230 H ARG 29 H ARG 29 -1.028 1.274 -2.500 231 HA ARG 29 HA ARG 29 -0.866 2.613 0.047 232 1HB ARG 29 1HB ARG 29 -0.652 3.713 -2.348 233 2HB ARG 29 2HB ARG 29 -2.402 3.622 -2.378 234 1HG ARG 29 1HG ARG 29 -2.621 5.048 -0.448 235 2HG ARG 29 2HG ARG 29 -0.929 4.873 -0.027 236 1HD ARG 29 1HD ARG 29 -0.658 6.866 -1.125 237 2HD ARG 29 2HD ARG 29 -0.712 5.896 -2.583 238 HE ARG 29 HE ARG 29 -3.352 6.718 -1.565 239 1HH1 ARG 29 2HH2 ARG 29 -0.673 7.490 -3.712 240 2HH1 ARG 29 1HH2 ARG 29 -1.617 8.531 -4.725 241 1HH2 ARG 29 2HH1 ARG 29 -4.598 8.092 -2.900 242 2HH2 ARG 29 1HH1 ARG 29 -3.865 8.875 -4.260 243 H ILE 30 H ILE 30 -2.963 3.544 0.988 244 HA ILE 30 HA ILE 30 -4.981 1.467 0.906 245 HB ILE 30 HB ILE 30 -3.865 2.924 2.923 246 1HG1 ILE 30 1HG1 ILE 30 -5.014 0.768 3.114 247 2HG1 ILE 30 2HG1 ILE 30 -5.539 1.895 4.350 248 1HG2 ILE 30 1HG2 ILE 30 -5.722 4.324 3.838 249 2HG2 ILE 30 2HG2 ILE 30 -4.949 4.987 2.378 250 3HG2 ILE 30 3HG2 ILE 30 -6.534 4.189 2.261 251 1HD1 ILE 30 1HD1 ILE 30 -7.666 1.475 3.688 252 2HD1 ILE 30 2HD1 ILE 30 -7.297 2.378 2.198 253 3HD1 ILE 30 3HD1 ILE 30 -7.104 0.609 2.237 254 H ASP 31 H ASP 31 -7.170 1.799 0.337 255 HA ASP 31 HA ASP 31 -7.893 4.396 -0.628 256 1HB ASP 31 1HB ASP 31 -8.257 2.052 -2.520 257 2HB ASP 31 2HB ASP 31 -8.366 3.762 -2.883 258 H GLU 32 H GLU 32 -10.275 4.547 -0.878 259 HA GLU 32 HA GLU 32 -11.593 2.461 0.618 260 1HB GLU 32 1HB GLU 32 -11.936 5.338 0.254 261 2HB GLU 32 2HB GLU 32 -13.450 4.503 -0.037 262 1HG GLU 32 1HG GLU 32 -12.735 3.176 2.199 263 2HG GLU 32 2HG GLU 32 -11.804 4.632 2.487 264 H MET 33 H MET 33 -13.532 1.384 -0.144 265 HA MET 33 HA MET 33 -13.405 0.840 -2.911 266 1HB MET 33 1HB MET 33 -15.190 -0.781 -2.389 267 2HB MET 33 2HB MET 33 -14.011 -0.826 -1.094 268 1HG MET 33 1HG MET 33 -15.698 1.133 -0.145 269 2HG MET 33 2HG MET 33 -16.835 0.159 -1.056 270 1HE MET 33 1HE MET 33 -16.268 0.373 2.609 271 2HE MET 33 2HE MET 33 -17.597 0.437 1.428 272 3HE MET 33 3HE MET 33 -17.456 -0.949 2.537 273 HA PRO 34 HA PRO 34 -16.255 4.030 -3.942 274 1HB PRO 34 1HB PRO 34 -15.926 3.905 -6.653 275 2HB PRO 34 2HB PRO 34 -14.898 4.863 -5.606 276 1HG PRO 34 1HG PRO 34 -14.305 2.289 -6.933 277 2HG PRO 34 2HG PRO 34 -13.189 3.455 -6.250 278 1HD PRO 34 1HD PRO 34 -13.996 0.963 -5.081 279 2HD PRO 34 2HD PRO 34 -12.971 2.182 -4.348 280 H GLU 35 H GLU 35 -18.163 4.316 -5.551 281 HA GLU 35 HA GLU 35 -19.321 1.720 -6.049 282 1HB GLU 35 1HB GLU 35 -21.450 2.325 -4.928 283 2HB GLU 35 2HB GLU 35 -20.119 2.255 -3.789 284 1HG GLU 35 1HG GLU 35 -19.884 4.843 -4.290 285 2HG GLU 35 2HG GLU 35 -21.520 4.704 -4.907 286 H ALA 36 H ALA 36 -18.221 3.524 -7.906 287 HA ALA 36 HA ALA 36 -20.584 4.840 -9.044 288 1HB ALA 36 1HB ALA 36 -18.487 5.750 -10.515 289 2HB ALA 36 2HB ALA 36 -19.043 6.528 -9.014 290 3HB ALA 36 3HB ALA 36 -17.661 5.407 -8.976 291 H ALA 37 H ALA 37 -17.541 3.304 -10.312 292 HA ALA 37 HA ALA 37 -18.672 2.527 -12.719 293 1HB ALA 37 1HB ALA 37 -16.632 1.458 -13.086 294 2HB ALA 37 2HB ALA 37 -16.193 2.648 -11.837 295 3HB ALA 37 3HB ALA 37 -16.474 0.949 -11.388 296 H VAL 38 H VAL 38 -18.274 0.719 -9.603 297 HA VAL 38 HA VAL 38 -20.467 -0.998 -10.478 298 HB VAL 38 HB VAL 38 -19.238 -2.965 -9.604 299 1HG1 VAL 38 1HG1 VAL 38 -17.360 -2.205 -11.688 300 2HG1 VAL 38 2HG1 VAL 38 -18.671 -3.409 -11.719 301 3HG1 VAL 38 3HG1 VAL 38 -19.018 -1.705 -12.099 302 1HG2 VAL 38 1HG2 VAL 38 -17.633 -1.704 -8.179 303 2HG2 VAL 38 2HG2 VAL 38 -16.842 -2.885 -9.251 304 3HG2 VAL 38 3HG2 VAL 38 -16.802 -1.152 -9.653 305 H LYS 39 H LYS 39 -21.006 -2.507 -8.400 306 HA LYS 39 HA LYS 39 -21.245 -0.580 -6.209 307 1HB LYS 39 1HB LYS 39 -22.873 -3.059 -6.845 308 2HB LYS 39 2HB LYS 39 -23.143 -1.990 -5.485 309 1HG LYS 39 1HG LYS 39 -24.201 -0.435 -6.775 310 2HG LYS 39 2HG LYS 39 -22.959 -0.491 -8.011 311 1HD LYS 39 1HD LYS 39 -24.462 -2.984 -8.050 312 2HD LYS 39 2HD LYS 39 -25.580 -1.635 -8.113 313 1HE LYS 39 1HE LYS 39 -24.627 -0.768 -10.118 314 2HE LYS 39 2HE LYS 39 -23.125 -1.642 -9.898 315 1HZ LYS 39 1HZ LYS 39 -24.528 -2.656 -11.557 316 2HZ LYS 39 2HZ LYS 39 -24.306 -3.683 -10.307 317 3HZ LYS 39 3HZ LYS 39 -25.724 -2.889 -10.469 318 H SER 40 H SER 40 -19.522 -0.771 -4.852 319 HA SER 40 HA SER 40 -18.098 -3.131 -4.553 320 1HB SER 40 1HB SER 40 -18.296 -0.589 -2.903 321 2HB SER 40 2HB SER 40 -17.255 -1.908 -2.406 322 HG SER 40 HG SER 40 -16.559 -0.005 -4.037 323 H THR 41 H THR 41 -17.747 -3.991 -2.078 324 HA THR 41 HA THR 41 -20.447 -4.555 -1.039 325 HB THR 41 HB THR 41 -19.521 -6.806 -0.471 326 HG1 THR 41 1HG THR 41 -17.310 -7.175 -1.164 327 1HG2 THR 41 1HG2 THR 41 -18.605 -6.357 -3.321 328 2HG2 THR 41 2HG2 THR 41 -19.528 -7.719 -2.643 329 3HG2 THR 41 3HG2 THR 41 -20.334 -6.160 -2.944 330 H ALA 42 H ALA 42 -19.847 -5.770 1.329 331 HA ALA 42 HA ALA 42 -18.652 -3.523 2.774 332 1HB ALA 42 1HB ALA 42 -20.207 -3.911 4.395 333 2HB ALA 42 2HB ALA 42 -21.074 -4.738 3.079 334 3HB ALA 42 3HB ALA 42 -20.092 -5.679 4.227 335 H ASN 43 H ASN 43 -17.697 -4.442 5.042 336 HA ASN 43 HA ASN 43 -15.831 -5.262 5.838 337 1HB ASN 43 1HB ASN 43 -15.751 -7.817 5.850 338 2HB ASN 43 2HB ASN 43 -17.280 -7.143 6.376 339 1HD2 ASN 43 1HD2 ASN 43 -19.097 -7.278 5.094 340 2HD2 ASN 43 2HD2 ASN 43 -19.229 -8.340 3.732 341 H LYS 44 H LYS 44 -14.862 -4.049 3.742 342 HA LYS 44 HA LYS 44 -12.759 -5.625 2.790 343 1HB LYS 44 1HB LYS 44 -13.286 -5.953 0.496 344 2HB LYS 44 2HB LYS 44 -14.615 -6.619 1.424 345 1HG LYS 44 1HG LYS 44 -16.115 -5.084 0.620 346 2HG LYS 44 2HG LYS 44 -14.984 -3.752 0.775 347 1HD LYS 44 1HD LYS 44 -14.091 -5.573 -1.326 348 2HD LYS 44 2HD LYS 44 -15.754 -5.101 -1.616 349 1HE LYS 44 1HE LYS 44 -14.814 -2.656 -1.017 350 2HE LYS 44 2HE LYS 44 -13.283 -3.369 -1.486 351 1HZ LYS 44 1HZ LYS 44 -15.714 -3.225 -3.126 352 2HZ LYS 44 2HZ LYS 44 -14.305 -2.441 -3.384 353 3HZ LYS 44 3HZ LYS 44 -14.381 -4.063 -3.560 354 H TYR 45 H TYR 45 -11.170 -4.326 1.738 355 HA TYR 45 HA TYR 45 -11.905 -1.488 1.524 356 1HB TYR 45 1HB TYR 45 -10.132 -2.917 3.353 357 2HB TYR 45 2HB TYR 45 -9.122 -1.961 2.287 358 HD1 TYR 45 1HD TYR 45 -8.326 -0.420 3.944 359 HD2 TYR 45 2HD TYR 45 -12.530 -0.940 3.336 360 HE1 TYR 45 1HE TYR 45 -8.793 1.643 5.357 361 HE2 TYR 45 2HE TYR 45 -12.982 1.124 4.750 362 HH TYR 45 HH TYR 45 -10.845 2.406 6.799 363 H GLN 46 H GLN 46 -10.608 -0.243 0.014 364 HA GLN 46 HA GLN 46 -9.689 -1.933 -2.126 365 1HB GLN 46 1HB GLN 46 -11.243 -0.043 -2.590 366 2HB GLN 46 2HB GLN 46 -10.055 1.093 -1.983 367 1HG GLN 46 1HG GLN 46 -8.482 0.503 -3.769 368 2HG GLN 46 2HG GLN 46 -9.507 -0.813 -4.305 369 1HE2 GLN 46 1HE2 GLN 46 -8.886 2.560 -4.366 370 2HE2 GLN 46 2HE2 GLN 46 -10.136 3.051 -5.460 371 H VAL 47 H VAL 47 -7.554 -2.286 -2.625 372 HA VAL 47 HA VAL 47 -5.603 -0.513 -1.325 373 HB VAL 47 HB VAL 47 -5.721 -3.511 -1.507 374 1HG1 VAL 47 1HG1 VAL 47 -3.554 -3.162 -2.348 375 2HG1 VAL 47 2HG1 VAL 47 -3.262 -1.768 -1.282 376 3HG1 VAL 47 3HG1 VAL 47 -3.311 -3.412 -0.604 377 1HG2 VAL 47 1HG2 VAL 47 -6.064 -3.403 0.695 378 2HG2 VAL 47 2HG2 VAL 47 -4.635 -2.365 0.925 379 3HG2 VAL 47 3HG2 VAL 47 -6.211 -1.636 0.530 380 H PHE 48 H PHE 48 -3.983 0.279 -2.635 381 HA PHE 48 HA PHE 48 -4.096 -0.641 -5.418 382 1HB PHE 48 1HB PHE 48 -4.195 1.930 -4.063 383 2HB PHE 48 2HB PHE 48 -2.686 1.877 -4.954 384 HD1 PHE 48 1HD PHE 48 -6.355 1.453 -5.350 385 HD2 PHE 48 2HD PHE 48 -2.656 2.267 -7.266 386 HE1 PHE 48 1HE PHE 48 -7.578 2.054 -7.458 387 HE2 PHE 48 2HE PHE 48 -3.879 2.869 -9.373 388 HZ PHE 48 HZ PHE 48 -6.325 2.755 -9.444 389 H PHE 49 H PHE 49 -2.410 -1.936 -5.971 390 HA PHE 49 HA PHE 49 0.011 -1.803 -4.405 391 1HB PHE 49 1HB PHE 49 -1.277 -3.532 -6.551 392 2HB PHE 49 2HB PHE 49 0.460 -3.656 -6.361 393 HD1 PHE 49 1HD PHE 49 -2.399 -3.401 -3.959 394 HD2 PHE 49 2HD PHE 49 1.044 -5.550 -5.201 395 HE1 PHE 49 1HE PHE 49 -2.722 -5.016 -2.065 396 HE2 PHE 49 2HE PHE 49 0.719 -7.164 -3.307 397 HZ PHE 49 HZ PHE 49 -1.159 -6.878 -1.761 398 H PHE 50 H PHE 50 1.844 -0.725 -4.982 399 HA PHE 50 HA PHE 50 1.815 0.774 -7.416 400 1HB PHE 50 1HB PHE 50 3.570 0.347 -4.967 401 2HB PHE 50 2HB PHE 50 4.303 1.120 -6.358 402 HD1 PHE 50 1HD PHE 50 3.182 3.230 -7.273 403 HD2 PHE 50 2HD PHE 50 2.259 1.587 -3.472 404 HE1 PHE 50 1HE PHE 50 2.229 5.437 -6.552 405 HE2 PHE 50 2HE PHE 50 1.305 3.793 -2.750 406 HZ PHE 50 HZ PHE 50 1.302 5.693 -4.298 407 H GLY 51 H GLY 51 4.076 -1.703 -5.994 408 1HA GLY 51 1HA GLY 51 5.841 -2.068 -7.976 409 2HA GLY 51 2HA GLY 51 5.183 -3.389 -7.032 410 H THR 52 H THR 52 2.636 -3.798 -7.825 411 HA THR 52 HA THR 52 2.986 -4.728 -10.531 412 HB THR 52 HB THR 52 0.801 -5.843 -10.038 413 HG1 THR 52 1HG THR 52 -0.082 -5.287 -7.874 414 1HG2 THR 52 1HG2 THR 52 1.914 -6.223 -7.352 415 2HG2 THR 52 2HG2 THR 52 1.823 -7.387 -8.694 416 3HG2 THR 52 3HG2 THR 52 3.203 -6.270 -8.578 417 H HIS 53 H HIS 53 1.352 -2.063 -8.853 418 HA HIS 53 HA HIS 53 0.451 -0.227 -9.670 419 1HB HIS 53 1HB HIS 53 2.224 -0.719 -11.574 420 2HB HIS 53 2HB HIS 53 0.796 -1.053 -12.532 421 HD1 HIS 53 1HD HIS 53 3.005 1.588 -12.096 422 HD2 HIS 53 2HD HIS 53 -1.179 1.360 -11.883 423 HE1 HIS 53 1HE HIS 53 2.140 3.961 -12.462 424 H GLU 54 H GLU 54 -1.081 -2.503 -8.929 425 HA GLU 54 HA GLU 54 -3.402 -1.977 -10.578 426 1HB GLU 54 1HB GLU 54 -4.004 -4.362 -10.670 427 2HB GLU 54 2HB GLU 54 -2.450 -4.095 -11.434 428 1HG GLU 54 1HG GLU 54 -1.244 -4.980 -9.545 429 2HG GLU 54 2HG GLU 54 -2.650 -4.892 -8.503 430 H THR 55 H THR 55 -5.477 -2.617 -9.441 431 HA THR 55 HA THR 55 -5.123 -2.216 -6.558 432 HB THR 55 HB THR 55 -7.595 -1.909 -8.341 433 HG1 THR 55 1HG THR 55 -6.642 0.042 -8.794 434 1HG2 THR 55 1HG2 THR 55 -6.896 -0.683 -5.624 435 2HG2 THR 55 2HG2 THR 55 -8.423 -0.492 -6.517 436 3HG2 THR 55 3HG2 THR 55 -7.989 -2.073 -5.825 437 H ALA 56 H ALA 56 -6.196 -3.501 -5.006 438 HA ALA 56 HA ALA 56 -7.508 -5.895 -5.987 439 1HB ALA 56 1HB ALA 56 -5.599 -6.659 -3.953 440 2HB ALA 56 2HB ALA 56 -5.792 -7.294 -5.604 441 3HB ALA 56 3HB ALA 56 -4.750 -5.881 -5.312 442 H PHE 57 H PHE 57 -9.034 -6.686 -4.517 443 HA PHE 57 HA PHE 57 -9.765 -4.861 -2.461 444 1HB PHE 57 1HB PHE 57 -10.698 -7.719 -3.123 445 2HB PHE 57 2HB PHE 57 -11.611 -6.552 -2.186 446 HD1 PHE 57 1HD PHE 57 -11.259 -7.976 -5.342 447 HD2 PHE 57 2HD PHE 57 -12.035 -4.246 -3.474 448 HE1 PHE 57 1HE PHE 57 -12.366 -7.155 -7.440 449 HE2 PHE 57 2HE PHE 57 -13.143 -3.426 -5.571 450 HZ PHE 57 HZ PHE 57 -13.295 -4.889 -7.529 451 H LEU 58 H LEU 58 -8.391 -4.767 -0.698 452 HA LEU 58 HA LEU 58 -8.061 -7.299 0.739 453 1HB LEU 58 1HB LEU 58 -5.957 -5.296 -0.016 454 2HB LEU 58 2HB LEU 58 -5.788 -6.255 1.440 455 HG LEU 58 HG LEU 58 -5.857 -7.196 -1.425 456 1HD1 LEU 58 1HD1 LEU 58 -3.841 -8.274 0.402 457 2HD1 LEU 58 2HD1 LEU 58 -3.661 -7.533 -1.207 458 3HD1 LEU 58 3HD1 LEU 58 -3.774 -6.503 0.241 459 1HD2 LEU 58 1HD2 LEU 58 -5.605 -9.532 -0.243 460 2HD2 LEU 58 2HD2 LEU 58 -6.524 -8.733 1.055 461 3HD2 LEU 58 3HD2 LEU 58 -7.212 -8.844 -0.582 462 H GLY 59 H GLY 59 -7.265 -6.718 3.115 463 1HA GLY 59 1HA GLY 59 -8.798 -4.347 4.002 464 2HA GLY 59 2HA GLY 59 -8.924 -5.907 4.792 465 HA PRO 60 HA PRO 60 -5.606 -3.762 6.961 466 1HB PRO 60 1HB PRO 60 -6.451 -4.316 9.499 467 2HB PRO 60 2HB PRO 60 -6.882 -2.848 8.646 468 1HG PRO 60 1HG PRO 60 -8.545 -5.230 9.193 469 2HG PRO 60 2HG PRO 60 -9.054 -3.617 8.734 470 1HD PRO 60 1HD PRO 60 -8.940 -5.928 7.040 471 2HD PRO 60 2HD PRO 60 -9.338 -4.292 6.556 472 H LYS 61 H LYS 61 -6.880 -6.945 7.116 473 HA LYS 61 HA LYS 61 -4.686 -7.999 8.590 474 1HB LYS 61 1HB LYS 61 -6.891 -9.047 8.626 475 2HB LYS 61 2HB LYS 61 -6.819 -9.337 6.898 476 1HG LYS 61 1HG LYS 61 -4.403 -10.419 7.927 477 2HG LYS 61 2HG LYS 61 -5.635 -10.887 9.081 478 1HD LYS 61 1HD LYS 61 -6.910 -12.059 7.442 479 2HD LYS 61 2HD LYS 61 -6.137 -11.227 6.106 480 1HE LYS 61 1HE LYS 61 -4.591 -12.879 5.952 481 2HE LYS 61 2HE LYS 61 -4.055 -12.550 7.588 482 1HZ LYS 61 1HZ LYS 61 -5.845 -13.972 8.376 483 2HZ LYS 61 2HZ LYS 61 -6.286 -14.310 6.841 484 3HZ LYS 61 3HZ LYS 61 -4.825 -14.786 7.394 485 H ASP 62 H ASP 62 -5.220 -6.997 5.297 486 HA ASP 62 HA ASP 62 -2.952 -8.600 4.450 487 1HB ASP 62 1HB ASP 62 -5.288 -7.303 3.078 488 2HB ASP 62 2HB ASP 62 -3.791 -7.357 2.170 489 H LEU 63 H LEU 63 -3.329 -5.831 6.043 490 HA LEU 63 HA LEU 63 -1.253 -4.452 4.510 491 1HB LEU 63 1HB LEU 63 -3.954 -3.490 5.165 492 2HB LEU 63 2HB LEU 63 -2.667 -2.386 5.612 493 HG LEU 63 HG LEU 63 -3.170 -3.514 2.843 494 1HD1 LEU 63 1HD1 LEU 63 -3.378 -0.824 2.593 495 2HD1 LEU 63 2HD1 LEU 63 -4.756 -1.917 2.868 496 3HD1 LEU 63 3HD1 LEU 63 -4.022 -1.050 4.237 497 1HD2 LEU 63 1HD2 LEU 63 -0.830 -3.250 3.009 498 2HD2 LEU 63 2HD2 LEU 63 -1.425 -1.795 2.174 499 3HD2 LEU 63 3HD2 LEU 63 -0.982 -1.715 3.896 500 H PHE 64 H PHE 64 0.448 -3.758 5.747 501 HA PHE 64 HA PHE 64 0.029 -3.748 8.643 502 1HB PHE 64 1HB PHE 64 1.647 -5.516 6.931 503 2HB PHE 64 2HB PHE 64 2.704 -4.609 7.994 504 HD1 PHE 64 1HD PHE 64 3.376 -5.937 9.748 505 HD2 PHE 64 2HD PHE 64 -0.670 -6.146 8.484 506 HE1 PHE 64 1HE PHE 64 2.875 -7.541 11.613 507 HE2 PHE 64 2HE PHE 64 -1.170 -7.747 10.349 508 HZ PHE 64 HZ PHE 64 0.609 -8.427 11.891 509 HA PRO 65 HA PRO 65 2.137 0.031 8.175 510 1HB PRO 65 1HB PRO 65 2.309 0.730 10.811 511 2HB PRO 65 2HB PRO 65 0.882 1.017 9.834 512 1HG PRO 65 1HG PRO 65 1.323 -1.040 11.912 513 2HG PRO 65 2HG PRO 65 -0.191 -0.465 11.240 514 1HD PRO 65 1HD PRO 65 1.133 -2.935 10.625 515 2HD PRO 65 2HD PRO 65 -0.318 -2.307 9.869 516 H TYR 66 H TYR 66 4.151 1.196 8.696 517 HA TYR 66 HA TYR 66 6.292 -0.561 8.474 518 1HB TYR 66 1HB TYR 66 6.578 1.724 7.779 519 2HB TYR 66 2HB TYR 66 5.750 2.348 9.192 520 HD1 TYR 66 1HD TYR 66 7.014 3.368 10.855 521 HD2 TYR 66 2HD TYR 66 8.889 0.485 8.309 522 HE1 TYR 66 1HE TYR 66 9.259 3.849 11.949 523 HE2 TYR 66 2HE TYR 66 11.126 0.976 9.412 524 HH TYR 66 HH TYR 66 12.207 2.610 10.636 525 H GLU 67 H GLU 67 4.859 1.084 11.346 526 HA GLU 67 HA GLU 67 6.829 0.535 13.138 527 1HB GLU 67 1HB GLU 67 4.075 1.385 13.194 528 2HB GLU 67 2HB GLU 67 4.294 0.186 14.454 529 1HG GLU 67 1HG GLU 67 6.511 1.578 14.977 530 2HG GLU 67 2HG GLU 67 5.674 2.856 14.118 531 H GLU 68 H GLU 68 4.012 -1.528 12.170 532 HA GLU 68 HA GLU 68 4.813 -3.609 13.910 533 1HB GLU 68 1HB GLU 68 2.627 -3.095 11.964 534 2HB GLU 68 2HB GLU 68 3.080 -4.782 12.103 535 1HG GLU 68 1HG GLU 68 3.011 -3.765 14.773 536 2HG GLU 68 2HG GLU 68 1.582 -3.133 13.980 537 H SER 69 H SER 69 5.031 -2.959 10.360 538 HA SER 69 HA SER 69 6.047 -5.383 9.611 539 1HB SER 69 1HB SER 69 6.205 -4.385 7.573 540 2HB SER 69 2HB SER 69 5.456 -3.008 8.353 541 HG SER 69 HG SER 69 7.575 -2.696 7.117 542 H LYS 70 H LYS 70 7.795 -2.361 10.618 543 HA LYS 70 HA LYS 70 10.355 -3.512 10.389 544 1HB LYS 70 1HB LYS 70 11.142 -1.499 11.407 545 2HB LYS 70 2HB LYS 70 9.837 -1.075 10.317 546 1HG LYS 70 1HG LYS 70 9.057 0.097 12.134 547 2HG LYS 70 2HG LYS 70 8.383 -1.456 12.589 548 1HD LYS 70 1HD LYS 70 9.964 -1.823 14.257 549 2HD LYS 70 2HD LYS 70 11.223 -0.942 13.415 550 1HE LYS 70 1HE LYS 70 10.783 0.654 15.018 551 2HE LYS 70 2HE LYS 70 9.527 1.129 13.893 552 1HZ LYS 70 1HZ LYS 70 8.166 -0.621 15.163 553 2HZ LYS 70 2HZ LYS 70 9.275 -0.417 16.344 554 3HZ LYS 70 3HZ LYS 70 8.387 0.852 15.830 555 H GLU 71 H GLU 71 7.806 -3.683 12.798 556 HA GLU 71 HA GLU 71 9.344 -4.197 15.024 557 1HB GLU 71 1HB GLU 71 6.664 -3.977 14.504 558 2HB GLU 71 2HB GLU 71 6.782 -5.707 14.754 559 1HG GLU 71 1HG GLU 71 8.352 -4.359 16.792 560 2HG GLU 71 2HG GLU 71 6.753 -3.643 16.743 561 H LYS 72 H LYS 72 8.125 -6.370 12.420 562 HA LYS 72 HA LYS 72 9.628 -8.558 13.659 563 1HB LYS 72 1HB LYS 72 7.371 -9.191 13.347 564 2HB LYS 72 2HB LYS 72 7.291 -8.480 11.748 565 1HG LYS 72 1HG LYS 72 7.526 -10.799 11.310 566 2HG LYS 72 2HG LYS 72 9.147 -10.174 11.077 567 1HD LYS 72 1HD LYS 72 8.573 -10.961 13.882 568 2HD LYS 72 2HD LYS 72 8.468 -12.292 12.748 569 1HE LYS 72 1HE LYS 72 10.760 -11.505 11.829 570 2HE LYS 72 2HE LYS 72 10.856 -10.459 13.231 571 1HZ LYS 72 1HZ LYS 72 10.136 -12.903 14.200 572 2HZ LYS 72 2HZ LYS 72 11.271 -13.234 13.075 573 3HZ LYS 72 3HZ LYS 72 11.612 -12.212 14.302 574 H PHE 73 H PHE 73 8.822 -7.383 10.309 575 HA PHE 73 HA PHE 73 11.667 -7.719 9.689 576 1HB PHE 73 1HB PHE 73 9.204 -9.004 8.605 577 2HB PHE 73 2HB PHE 73 10.159 -8.249 7.343 578 HD1 PHE 73 1HD PHE 73 11.315 -9.879 6.199 579 HD2 PHE 73 2HD PHE 73 11.120 -10.124 10.431 580 HE1 PHE 73 1HE PHE 73 12.833 -11.878 6.153 581 HE2 PHE 73 2HE PHE 73 12.638 -12.123 10.385 582 HZ PHE 73 HZ PHE 73 13.477 -12.976 8.247 583 H GLY 74 H GLY 74 8.670 -6.712 7.897 584 1HA GLY 74 1HA GLY 74 8.084 -4.695 7.049 585 2HA GLY 74 2HA GLY 74 9.411 -3.944 7.912 586 H LYS 75 H LYS 75 10.710 -6.600 6.282 587 HA LYS 75 HA LYS 75 11.162 -5.057 3.834 588 1HB LYS 75 1HB LYS 75 13.569 -5.743 3.936 589 2HB LYS 75 2HB LYS 75 13.089 -4.564 5.142 590 1HG LYS 75 1HG LYS 75 14.006 -5.972 6.679 591 2HG LYS 75 2HG LYS 75 12.585 -6.973 6.453 592 1HD LYS 75 1HD LYS 75 13.728 -8.563 5.249 593 2HD LYS 75 2HD LYS 75 14.673 -7.374 4.375 594 1HE LYS 75 1HE LYS 75 15.976 -6.993 6.583 595 2HE LYS 75 2HE LYS 75 15.179 -8.432 7.189 596 1HZ LYS 75 1HZ LYS 75 16.164 -9.712 5.509 597 2HZ LYS 75 2HZ LYS 75 16.682 -8.411 4.670 598 3HZ LYS 75 3HZ LYS 75 17.366 -8.783 6.106 599 HA PRO 76 HA PRO 76 9.902 -9.156 2.684 600 1HB PRO 76 1HB PRO 76 8.576 -8.437 0.405 601 2HB PRO 76 2HB PRO 76 7.799 -8.540 1.972 602 1HG PRO 76 1HG PRO 76 8.605 -6.133 0.458 603 2HG PRO 76 2HG PRO 76 7.472 -6.264 1.788 604 1HD PRO 76 1HD PRO 76 10.158 -5.262 1.912 605 2HD PRO 76 2HD PRO 76 9.066 -5.504 3.262 606 H ASN 77 H ASN 77 10.079 -10.440 0.523 607 HA ASN 77 HA ASN 77 12.692 -10.606 -0.047 608 1HB ASN 77 1HB ASN 77 10.559 -11.037 -2.191 609 2HB ASN 77 2HB ASN 77 12.056 -11.926 -1.984 610 1HD2 ASN 77 1HD2 ASN 77 8.883 -11.260 -0.625 611 2HD2 ASN 77 2HD2 ASN 77 8.713 -12.709 0.309 612 H LYS 78 H LYS 78 14.123 -9.644 -1.609 613 HA LYS 78 HA LYS 78 13.139 -7.146 -2.733 614 1HB LYS 78 1HB LYS 78 15.132 -6.972 -1.397 615 2HB LYS 78 2HB LYS 78 15.920 -8.259 -2.286 616 1HG LYS 78 1HG LYS 78 16.792 -6.632 -3.614 617 2HG LYS 78 2HG LYS 78 15.195 -6.491 -4.321 618 1HD LYS 78 1HD LYS 78 15.376 -4.303 -3.644 619 2HD LYS 78 2HD LYS 78 14.822 -4.941 -2.109 620 1HE LYS 78 1HE LYS 78 16.798 -4.444 -1.103 621 2HE LYS 78 2HE LYS 78 17.705 -5.306 -2.330 622 1HZ LYS 78 1HZ LYS 78 16.863 -2.509 -2.350 623 2HZ LYS 78 2HZ LYS 78 18.364 -3.122 -2.540 624 3HZ LYS 78 3HZ LYS 78 17.265 -3.265 -3.741 625 H ARG 79 H ARG 79 11.883 -7.843 -4.501 626 HA ARG 79 HA ARG 79 13.301 -9.471 -6.430 627 1HB ARG 79 1HB ARG 79 10.376 -8.769 -5.991 628 2HB ARG 79 2HB ARG 79 10.898 -9.378 -7.548 629 1HG ARG 79 1HG ARG 79 11.702 -10.854 -5.025 630 2HG ARG 79 2HG ARG 79 10.087 -11.066 -5.669 631 1HD ARG 79 1HD ARG 79 12.425 -11.321 -7.568 632 2HD ARG 79 2HD ARG 79 12.106 -12.641 -6.460 633 HE ARG 79 HE ARG 79 9.697 -11.736 -7.847 634 1HH1 ARG 79 2HH2 ARG 79 12.525 -13.815 -8.085 635 2HH1 ARG 79 1HH2 ARG 79 11.800 -14.885 -9.237 636 1HH2 ARG 79 2HH1 ARG 79 8.740 -13.147 -9.369 637 2HH2 ARG 79 1HH1 ARG 79 9.633 -14.502 -9.974 638 H LYS 80 H LYS 80 12.181 -8.734 -8.846 639 HA LYS 80 HA LYS 80 13.513 -6.303 -9.388 640 1HB LYS 80 1HB LYS 80 11.955 -8.331 -10.933 641 2HB LYS 80 2HB LYS 80 12.149 -6.744 -11.650 642 1HG LYS 80 1HG LYS 80 14.707 -7.094 -10.893 643 2HG LYS 80 2HG LYS 80 14.260 -8.786 -10.956 644 1HD LYS 80 1HD LYS 80 13.680 -6.887 -13.267 645 2HD LYS 80 2HD LYS 80 15.213 -7.726 -13.126 646 1HE LYS 80 1HE LYS 80 14.227 -9.470 -14.202 647 2HE LYS 80 2HE LYS 80 13.348 -9.775 -12.719 648 1HZ LYS 80 1HZ LYS 80 11.517 -9.218 -13.774 649 2HZ LYS 80 2HZ LYS 80 12.075 -7.710 -14.056 650 3HZ LYS 80 3HZ LYS 80 12.342 -8.897 -15.145 651 H GLY 81 H GLY 81 10.043 -7.267 -9.096 652 1HA GLY 81 1HA GLY 81 9.046 -4.672 -9.722 653 2HA GLY 81 2HA GLY 81 8.165 -6.016 -9.019 654 H PHE 82 H PHE 82 10.697 -5.944 -6.978 655 HA PHE 82 HA PHE 82 9.230 -4.425 -5.033 656 1HB PHE 82 1HB PHE 82 10.358 -6.608 -4.535 657 2HB PHE 82 2HB PHE 82 11.892 -5.966 -5.084 658 HD1 PHE 82 1HD PHE 82 9.961 -6.656 -2.265 659 HD2 PHE 82 2HD PHE 82 12.667 -3.766 -3.791 660 HE1 PHE 82 1HE PHE 82 10.488 -5.916 0.075 661 HE2 PHE 82 2HE PHE 82 13.194 -3.025 -1.450 662 HZ PHE 82 HZ PHE 82 12.098 -4.110 0.453 663 H SER 83 H SER 83 12.413 -4.236 -6.741 664 HA SER 83 HA SER 83 13.277 -1.995 -5.328 665 1HB SER 83 1HB SER 83 14.425 -3.744 -7.090 666 2HB SER 83 2HB SER 83 14.214 -2.359 -8.144 667 HG SER 83 HG SER 83 15.623 -1.162 -6.956 668 H GLU 84 H GLU 84 11.866 -2.366 -8.663 669 HA GLU 84 HA GLU 84 11.730 0.405 -9.065 670 1HB GLU 84 1HB GLU 84 10.878 -0.127 -11.165 671 2HB GLU 84 2HB GLU 84 11.700 -1.622 -10.764 672 1HG GLU 84 1HG GLU 84 9.538 -2.565 -9.898 673 2HG GLU 84 2HG GLU 84 8.724 -1.076 -10.336 674 H GLY 85 H GLY 85 9.661 -1.967 -7.477 675 1HA GLY 85 1HA GLY 85 7.214 -0.538 -7.643 676 2HA GLY 85 2HA GLY 85 7.621 -1.832 -6.533 677 H LEU 86 H LEU 86 9.619 -0.972 -4.939 678 HA LEU 86 HA LEU 86 8.356 0.809 -3.215 679 1HB LEU 86 1HB LEU 86 9.809 -0.592 -2.164 680 2HB LEU 86 2HB LEU 86 11.023 -0.484 -3.424 681 HG LEU 86 HG LEU 86 11.581 0.531 -1.153 682 1HD1 LEU 86 1HD1 LEU 86 12.737 0.950 -3.396 683 2HD1 LEU 86 2HD1 LEU 86 11.862 2.499 -3.422 684 3HD1 LEU 86 3HD1 LEU 86 12.998 2.142 -2.100 685 1HD2 LEU 86 1HD2 LEU 86 9.180 1.950 -1.646 686 2HD2 LEU 86 2HD2 LEU 86 10.292 2.100 -0.265 687 3HD2 LEU 86 3HD2 LEU 86 10.511 3.132 -1.700 688 H TRP 87 H TRP 87 10.477 1.303 -6.001 689 HA TRP 87 HA TRP 87 11.011 4.047 -5.274 690 1HB TRP 87 1HB TRP 87 12.202 2.102 -6.945 691 2HB TRP 87 2HB TRP 87 11.666 3.399 -7.994 692 HD1 TRP 87 HD TRP 87 12.863 5.835 -7.623 693 HE1 TRP 87 1HE TRP 87 15.124 6.624 -6.514 694 HE3 TRP 87 3HE TRP 87 13.704 1.539 -5.036 695 HZ2 TRP 87 2HZ TRP 87 16.969 5.391 -4.719 696 HZ3 TRP 87 3HZ TRP 87 15.758 1.414 -3.629 697 HH2 TRP 87 HH TRP 87 17.362 3.249 -3.446 698 H GLU 88 H GLU 88 8.625 2.109 -6.960 699 HA GLU 88 HA GLU 88 7.750 4.126 -8.708 700 1HB GLU 88 1HB GLU 88 6.871 1.409 -7.877 701 2HB GLU 88 2HB GLU 88 5.569 2.461 -8.397 702 1HG GLU 88 1HG GLU 88 8.052 2.417 -10.098 703 2HG GLU 88 2HG GLU 88 7.036 0.990 -10.137 704 H ILE 89 H ILE 89 7.265 3.424 -5.302 705 HA ILE 89 HA ILE 89 4.941 5.190 -5.213 706 HB ILE 89 HB ILE 89 4.482 3.256 -4.042 707 1HG1 ILE 89 1HG1 ILE 89 4.284 5.510 -2.745 708 2HG1 ILE 89 2HG1 ILE 89 4.004 3.991 -1.915 709 1HG2 ILE 89 1HG2 ILE 89 6.543 2.111 -4.039 710 2HG2 ILE 89 2HG2 ILE 89 7.331 3.359 -3.045 711 3HG2 ILE 89 3HG2 ILE 89 6.096 2.298 -2.327 712 1HD1 ILE 89 1HD1 ILE 89 5.935 4.151 -0.657 713 2HD1 ILE 89 2HD1 ILE 89 6.839 4.964 -1.958 714 3HD1 ILE 89 3HD1 ILE 89 5.689 5.888 -0.961 715 H GLU 90 H GLU 90 8.299 4.787 -3.954 716 HA GLU 90 HA GLU 90 8.173 7.237 -2.548 717 1HB GLU 90 1HB GLU 90 10.268 5.169 -3.146 718 2HB GLU 90 2HB GLU 90 10.827 6.759 -2.668 719 1HG GLU 90 1HG GLU 90 8.704 5.257 -1.081 720 2HG GLU 90 2HG GLU 90 10.415 5.029 -0.779 721 H ASN 91 H ASN 91 9.008 6.205 -5.825 722 HA ASN 91 HA ASN 91 9.607 8.991 -6.407 723 1HB ASN 91 1HB ASN 91 10.986 6.644 -7.798 724 2HB ASN 91 2HB ASN 91 11.397 8.342 -7.935 725 1HD2 ASN 91 1HD2 ASN 91 10.818 5.972 -5.333 726 2HD2 ASN 91 2HD2 ASN 91 12.220 6.342 -4.385 727 H ASN 92 H ASN 92 7.125 8.620 -6.862 728 HA ASN 92 HA ASN 92 6.251 6.917 -8.808 729 1HB ASN 92 1HB ASN 92 4.251 8.287 -8.873 730 2HB ASN 92 2HB ASN 92 4.856 8.385 -7.232 731 1HD2 ASN 92 1HD2 ASN 92 6.175 10.216 -6.634 732 2HD2 ASN 92 2HD2 ASN 92 5.916 11.762 -7.371 733 HA PRO 93 HA PRO 93 7.585 8.854 -12.510 734 1HB PRO 93 1HB PRO 93 5.677 8.073 -14.306 735 2HB PRO 93 2HB PRO 93 6.991 7.035 -13.791 736 1HG PRO 93 1HG PRO 93 4.141 6.941 -13.015 737 2HG PRO 93 2HG PRO 93 5.362 5.692 -12.862 738 1HD PRO 93 1HD PRO 93 4.340 7.359 -10.764 739 2HD PRO 93 2HD PRO 93 5.643 6.192 -10.637 740 H THR 94 H THR 94 4.101 9.277 -12.111 741 HA THR 94 HA THR 94 4.336 11.887 -13.375 742 HB THR 94 HB THR 94 1.934 10.337 -12.271 743 HG1 THR 94 1HG THR 94 1.790 10.040 -14.733 744 1HG2 THR 94 1HG2 THR 94 0.578 11.811 -13.606 745 2HG2 THR 94 2HG2 THR 94 1.694 12.892 -12.740 746 3HG2 THR 94 3HG2 THR 94 2.000 12.479 -14.443 747 H VAL 95 H VAL 95 5.906 12.427 -11.494 748 HA VAL 95 HA VAL 95 4.632 12.945 -8.986 749 HB VAL 95 HB VAL 95 7.042 12.328 -9.363 750 1HG1 VAL 95 1HG1 VAL 95 8.411 14.616 -9.706 751 2HG1 VAL 95 2HG1 VAL 95 7.973 13.538 -11.053 752 3HG1 VAL 95 3HG1 VAL 95 6.991 14.984 -10.714 753 1HG2 VAL 95 1HG2 VAL 95 7.138 14.898 -7.877 754 2HG2 VAL 95 2HG2 VAL 95 5.885 13.742 -7.367 755 3HG2 VAL 95 3HG2 VAL 95 7.597 13.255 -7.369 756 H LYS 96 H LYS 96 5.085 15.358 -8.090 757 HA LYS 96 HA LYS 96 4.935 17.498 -9.836 758 1HB LYS 96 1HB LYS 96 2.466 18.055 -9.525 759 2HB LYS 96 2HB LYS 96 2.867 16.825 -10.706 760 1HG LYS 96 1HG LYS 96 1.727 15.219 -9.564 761 2HG LYS 96 2HG LYS 96 2.511 15.633 -8.052 762 1HD LYS 96 1HD LYS 96 0.926 17.650 -7.904 763 2HD LYS 96 2HD LYS 96 0.064 16.983 -9.275 764 1HE LYS 96 1HE LYS 96 0.564 15.016 -7.099 765 2HE LYS 96 2HE LYS 96 -0.450 16.363 -6.619 766 1HZ LYS 96 1HZ LYS 96 -2.056 15.241 -7.609 767 2HZ LYS 96 2HZ LYS 96 -1.408 15.680 -9.042 768 3HZ LYS 96 3HZ LYS 96 -1.037 14.229 -8.388 769 H ALA 97 H ALA 97 3.895 15.999 -6.747 770 HA ALA 97 HA ALA 97 4.047 18.537 -5.384 771 1HB ALA 97 1HB ALA 97 2.435 17.335 -4.319 772 2HB ALA 97 2HB ALA 97 3.113 15.773 -4.841 773 3HB ALA 97 3HB ALA 97 3.810 16.623 -3.441 774 H SER 98 H SER 98 5.757 19.289 -4.171 775 HA SER 98 HA SER 98 8.265 18.462 -4.713 776 1HB SER 98 1HB SER 98 6.994 20.322 -2.931 777 2HB SER 98 2HB SER 98 8.216 19.473 -2.004 778 HG SER 98 HG SER 98 9.817 20.323 -3.222 779 H GLY 99 H GLY 99 9.561 16.753 -4.101 780 1HA GLY 99 1HA GLY 99 9.627 15.578 -1.583 781 2HA GLY 99 2HA GLY 99 8.498 14.643 -2.542 782 H TYR 100 H TYR 100 11.194 13.879 -1.490 783 HA TYR 100 HA TYR 100 12.301 13.020 -4.055 784 1HB TYR 100 1HB TYR 100 14.127 14.406 -3.674 785 2HB TYR 100 2HB TYR 100 13.349 15.019 -2.228 786 HD1 TYR 100 1HD TYR 100 14.664 14.943 -0.330 787 HD2 TYR 100 2HD TYR 100 15.067 11.825 -3.231 788 HE1 TYR 100 1HE TYR 100 16.456 13.837 1.097 789 HE2 TYR 100 2HE TYR 100 16.858 10.731 -1.796 790 HH TYR 100 HH TYR 100 17.342 11.530 1.400 Start of MODEL 2 1 H MET 1 H MET 1 15.272 14.001 12.348 2 HA MET 1 HA MET 1 13.539 15.555 13.469 3 1HB MET 1 1HB MET 1 15.486 17.323 12.347 4 2HB MET 1 2HB MET 1 14.087 17.470 11.303 5 1HG MET 1 1HG MET 1 13.231 18.901 12.857 6 2HG MET 1 2HG MET 1 12.943 17.494 13.860 7 1HE MET 1 1HE MET 1 15.088 20.894 15.320 8 2HE MET 1 2HE MET 1 14.473 20.824 13.652 9 3HE MET 1 3HE MET 1 13.400 20.421 15.013 10 H SER 2 H SER 2 12.307 13.809 12.590 11 HA SER 2 HA SER 2 11.542 14.305 9.833 12 1HB SER 2 1HB SER 2 13.119 12.120 10.591 13 2HB SER 2 2HB SER 2 11.502 11.445 10.556 14 HG SER 2 HG SER 2 12.837 11.488 8.477 15 H ARG 3 H ARG 3 9.318 13.641 9.345 16 HA ARG 3 HA ARG 3 7.719 13.712 11.717 17 1HB ARG 3 1HB ARG 3 5.833 14.073 10.165 18 2HB ARG 3 2HB ARG 3 7.160 15.132 9.732 19 1HG ARG 3 1HG ARG 3 7.799 12.956 8.200 20 2HG ARG 3 2HG ARG 3 6.058 12.769 8.259 21 1HD ARG 3 1HD ARG 3 6.089 14.228 6.484 22 2HD ARG 3 2HD ARG 3 6.207 15.454 7.731 23 HE ARG 3 HE ARG 3 8.843 14.778 7.351 24 1HH1 ARG 3 2HH2 ARG 3 6.271 15.656 5.116 25 2HH1 ARG 3 1HH2 ARG 3 7.345 16.356 3.952 26 1HH2 ARG 3 2HH1 ARG 3 10.262 15.702 5.817 27 2HH2 ARG 3 1HH1 ARG 3 9.632 16.382 4.354 28 H SER 4 H SER 4 6.148 12.078 12.300 29 HA SER 4 HA SER 4 6.664 9.532 10.976 30 1HB SER 4 1HB SER 4 5.985 8.478 13.144 31 2HB SER 4 2HB SER 4 7.407 9.488 13.294 32 HG SER 4 HG SER 4 4.707 10.077 14.122 33 H ASN 5 H ASN 5 4.942 8.564 9.941 34 HA ASN 5 HA ASN 5 2.616 9.890 9.519 35 1HB ASN 5 1HB ASN 5 1.883 7.919 8.394 36 2HB ASN 5 2HB ASN 5 3.630 7.784 8.336 37 1HD2 ASN 5 1HD2 ASN 5 4.429 6.915 10.682 38 2HD2 ASN 5 2HD2 ASN 5 3.746 5.383 11.112 39 H ARG 6 H ARG 6 0.417 8.194 10.012 40 HA ARG 6 HA ARG 6 -0.125 8.786 12.672 41 1HB ARG 6 1HB ARG 6 -2.277 7.699 12.267 42 2HB ARG 6 2HB ARG 6 -1.831 8.573 10.814 43 1HG ARG 6 1HG ARG 6 -0.777 5.811 10.836 44 2HG ARG 6 2HG ARG 6 -2.525 5.860 10.956 45 1HD ARG 6 1HD ARG 6 -2.720 6.412 8.760 46 2HD ARG 6 2HD ARG 6 -1.666 7.797 8.965 47 HE ARG 6 HE ARG 6 -0.280 5.195 8.840 48 1HH1 ARG 6 2HH2 ARG 6 -1.408 8.010 7.053 49 2HH1 ARG 6 1HH2 ARG 6 -0.318 7.766 5.730 50 1HH2 ARG 6 2HH1 ARG 6 1.159 4.874 7.093 51 2HH2 ARG 6 1HH1 ARG 6 1.152 5.971 5.753 52 H GLN 7 H GLN 7 -1.353 6.714 13.946 53 HA GLN 7 HA GLN 7 0.805 4.770 14.173 54 1HB GLN 7 1HB GLN 7 -0.318 4.392 16.504 55 2HB GLN 7 2HB GLN 7 0.663 5.824 16.265 56 1HG GLN 7 1HG GLN 7 -2.331 5.890 15.740 57 2HG GLN 7 2HG GLN 7 -1.703 6.095 17.363 58 1HE2 GLN 7 1HE2 GLN 7 -2.831 7.733 14.857 59 2HE2 GLN 7 2HE2 GLN 7 -1.951 9.221 14.949 60 H LYS 8 H LYS 8 -2.765 5.231 14.056 61 HA LYS 8 HA LYS 8 -2.977 2.498 13.074 62 1HB LYS 8 1HB LYS 8 -5.187 2.571 14.641 63 2HB LYS 8 2HB LYS 8 -3.675 1.810 15.097 64 1HG LYS 8 1HG LYS 8 -4.254 3.229 16.940 65 2HG LYS 8 2HG LYS 8 -2.960 4.062 16.101 66 1HD LYS 8 1HD LYS 8 -4.298 5.833 15.595 67 2HD LYS 8 2HD LYS 8 -5.563 4.793 14.967 68 1HE LYS 8 1HE LYS 8 -6.030 4.267 17.529 69 2HE LYS 8 2HE LYS 8 -5.147 5.754 17.811 70 1HZ LYS 8 1HZ LYS 8 -6.712 6.716 16.083 71 2HZ LYS 8 2HZ LYS 8 -7.637 5.393 16.331 72 3HZ LYS 8 3HZ LYS 8 -7.323 6.412 17.568 73 H GLU 9 H GLU 9 -4.415 5.740 13.662 74 HA GLU 9 HA GLU 9 -6.625 5.397 12.052 75 1HB GLU 9 1HB GLU 9 -6.614 7.920 11.930 76 2HB GLU 9 2HB GLU 9 -6.484 7.282 13.557 77 1HG GLU 9 1HG GLU 9 -3.919 7.490 13.288 78 2HG GLU 9 2HG GLU 9 -4.239 8.410 11.832 79 H TYR 10 H TYR 10 -6.355 4.480 10.020 80 HA TYR 10 HA TYR 10 -4.560 5.948 8.207 81 1HB TYR 10 1HB TYR 10 -3.870 3.816 7.385 82 2HB TYR 10 2HB TYR 10 -4.138 3.431 9.074 83 HD1 TYR 10 1HD TYR 10 -6.554 2.581 9.691 84 HD2 TYR 10 2HD TYR 10 -4.929 2.549 5.734 85 HE1 TYR 10 1HE TYR 10 -8.228 0.793 9.011 86 HE2 TYR 10 2HE TYR 10 -6.610 0.761 5.066 87 HH TYR 10 HH TYR 10 -9.207 -0.160 7.206 88 H LYS 11 H LYS 11 -5.505 6.799 6.410 89 HA LYS 11 HA LYS 11 -7.998 5.595 5.496 90 1HB LYS 11 1HB LYS 11 -8.807 8.069 5.204 91 2HB LYS 11 2HB LYS 11 -9.029 7.233 6.728 92 1HG LYS 11 1HG LYS 11 -8.118 9.368 7.312 93 2HG LYS 11 2HG LYS 11 -6.789 8.240 7.484 94 1HD LYS 11 1HD LYS 11 -5.880 10.105 6.286 95 2HD LYS 11 2HD LYS 11 -6.097 8.845 5.087 96 1HE LYS 11 1HE LYS 11 -6.967 10.869 4.106 97 2HE LYS 11 2HE LYS 11 -8.358 9.886 4.514 98 1HZ LYS 11 1HZ LYS 11 -7.476 12.354 5.682 99 2HZ LYS 11 2HZ LYS 11 -8.989 11.762 5.515 100 3HZ LYS 11 3HZ LYS 11 -8.044 11.254 6.748 101 H CYS 12 H CYS 12 -8.623 7.072 3.356 102 HA CYS 12 HA CYS 12 -6.983 6.321 1.404 103 1HB CYS 12 1HB CYS 12 -9.258 7.809 1.500 104 2HB CYS 12 2HB CYS 12 -8.117 9.034 0.981 105 HG CYS 12 HG CYS 12 -9.543 6.776 -0.602 106 H GLY 13 H GLY 13 -4.992 6.950 0.529 107 1HA GLY 13 1HA GLY 13 -3.307 8.497 0.065 108 2HA GLY 13 2HA GLY 13 -3.827 9.493 1.412 109 H ASP 14 H ASP 14 -4.068 6.565 2.812 110 HA ASP 14 HA ASP 14 -1.537 6.864 4.073 111 1HB ASP 14 1HB ASP 14 -3.197 6.236 5.601 112 2HB ASP 14 2HB ASP 14 -4.006 5.187 4.453 113 H LEU 15 H LEU 15 0.296 5.554 3.703 114 HA LEU 15 HA LEU 15 -0.026 3.487 1.654 115 1HB LEU 15 1HB LEU 15 1.895 5.579 2.133 116 2HB LEU 15 2HB LEU 15 2.698 4.023 2.126 117 HG LEU 15 HG LEU 15 2.784 4.922 -0.083 118 1HD1 LEU 15 1HD1 LEU 15 1.172 2.512 0.452 119 2HD1 LEU 15 2HD1 LEU 15 1.010 3.178 -1.192 120 3HD1 LEU 15 3HD1 LEU 15 2.616 2.736 -0.565 121 1HD2 LEU 15 1HD2 LEU 15 1.221 6.483 -0.513 122 2HD2 LEU 15 2HD2 LEU 15 0.324 5.109 -1.204 123 3HD2 LEU 15 3HD2 LEU 15 -0.028 5.660 0.452 124 H VAL 16 H VAL 16 0.771 1.375 1.982 125 HA VAL 16 HA VAL 16 2.124 0.711 4.400 126 HB VAL 16 HB VAL 16 0.134 -0.939 4.939 127 1HG1 VAL 16 1HG1 VAL 16 -0.369 0.391 6.783 128 2HG1 VAL 16 2HG1 VAL 16 1.236 0.996 6.299 129 3HG1 VAL 16 3HG1 VAL 16 -0.230 1.906 5.860 130 1HG2 VAL 16 1HG2 VAL 16 -2.061 0.077 4.635 131 2HG2 VAL 16 2HG2 VAL 16 -1.331 1.457 3.780 132 3HG2 VAL 16 3HG2 VAL 16 -1.276 -0.169 3.056 133 H PHE 17 H PHE 17 2.084 -1.902 4.531 134 HA PHE 17 HA PHE 17 2.812 -2.709 1.837 135 1HB PHE 17 1HB PHE 17 3.542 -3.261 4.653 136 2HB PHE 17 2HB PHE 17 3.273 -4.758 3.784 137 HD1 PHE 17 1HD PHE 17 4.401 -4.650 1.285 138 HD2 PHE 17 2HD PHE 17 5.728 -2.565 4.735 139 HE1 PHE 17 1HE PHE 17 6.708 -4.499 0.306 140 HE2 PHE 17 2HE PHE 17 8.034 -2.415 3.757 141 HZ PHE 17 HZ PHE 17 8.497 -3.383 1.554 142 H ALA 18 H ALA 18 1.380 -3.812 0.594 143 HA ALA 18 HA ALA 18 -0.880 -5.078 1.903 144 1HB ALA 18 1HB ALA 18 -1.518 -3.766 0.055 145 2HB ALA 18 2HB ALA 18 -0.145 -4.319 -0.933 146 3HB ALA 18 3HB ALA 18 -1.502 -5.422 -0.599 147 H LYS 19 H LYS 19 -1.192 -7.279 2.065 148 HA LYS 19 HA LYS 19 0.854 -8.950 0.784 149 1HB LYS 19 1HB LYS 19 1.285 -8.642 3.217 150 2HB LYS 19 2HB LYS 19 -0.287 -9.331 3.567 151 1HG LYS 19 1HG LYS 19 0.718 -11.368 3.550 152 2HG LYS 19 2HG LYS 19 0.842 -11.202 1.811 153 1HD LYS 19 1HD LYS 19 3.047 -9.912 2.231 154 2HD LYS 19 2HD LYS 19 2.939 -10.457 3.893 155 1HE LYS 19 1HE LYS 19 2.539 -12.841 2.606 156 2HE LYS 19 2HE LYS 19 3.531 -12.029 1.412 157 1HZ LYS 19 1HZ LYS 19 4.460 -13.274 3.585 158 2HZ LYS 19 2HZ LYS 19 5.293 -12.163 2.726 159 3HZ LYS 19 3HZ LYS 19 4.489 -11.716 4.076 160 H MET 20 H MET 20 0.001 -10.392 -0.613 161 HA MET 20 HA MET 20 -2.711 -11.286 -0.044 162 1HB MET 20 1HB MET 20 -2.256 -9.481 -2.001 163 2HB MET 20 2HB MET 20 -1.755 -10.900 -2.900 164 1HG MET 20 1HG MET 20 -3.902 -11.701 -3.091 165 2HG MET 20 2HG MET 20 -4.321 -11.265 -1.446 166 1HE MET 20 1HE MET 20 -4.906 -9.883 -5.292 167 2HE MET 20 2HE MET 20 -3.937 -8.425 -4.969 168 3HE MET 20 3HE MET 20 -3.223 -10.040 -4.738 169 H LYS 21 H LYS 21 -3.260 -13.410 -1.040 170 HA LYS 21 HA LYS 21 -1.251 -15.277 -0.640 171 1HB LYS 21 1HB LYS 21 -3.607 -15.813 -0.435 172 2HB LYS 21 2HB LYS 21 -3.882 -15.478 -2.131 173 1HG LYS 21 1HG LYS 21 -3.637 -17.800 -2.194 174 2HG LYS 21 2HG LYS 21 -1.991 -17.299 -2.524 175 1HD LYS 21 1HD LYS 21 -1.719 -17.376 0.113 176 2HD LYS 21 2HD LYS 21 -3.154 -18.380 0.057 177 1HE LYS 21 1HE LYS 21 -2.043 -20.159 -0.893 178 2HE LYS 21 2HE LYS 21 -1.073 -19.133 -1.933 179 1HZ LYS 21 1HZ LYS 21 0.033 -20.340 0.000 180 2HZ LYS 21 2HZ LYS 21 0.446 -18.783 -0.270 181 3HZ LYS 21 3HZ LYS 21 -0.583 -19.158 0.942 182 H GLY 22 H GLY 22 0.466 -15.904 -1.832 183 1HA GLY 22 1HA GLY 22 1.591 -16.517 -3.735 184 2HA GLY 22 2HA GLY 22 0.309 -15.856 -4.731 185 H TYR 23 H TYR 23 0.461 -13.310 -2.869 186 HA TYR 23 HA TYR 23 2.732 -12.131 -4.315 187 1HB TYR 23 1HB TYR 23 0.247 -11.415 -4.689 188 2HB TYR 23 2HB TYR 23 0.236 -10.870 -3.023 189 HD1 TYR 23 1HD TYR 23 0.384 -8.574 -2.799 190 HD2 TYR 23 2HD TYR 23 2.562 -10.472 -5.955 191 HE1 TYR 23 1HE TYR 23 1.295 -6.318 -3.538 192 HE2 TYR 23 2HE TYR 23 3.464 -8.210 -6.683 193 HH TYR 23 HH TYR 23 2.141 -5.351 -5.731 194 HA PRO 24 HA PRO 24 4.406 -11.587 -0.314 195 1HB PRO 24 1HB PRO 24 6.812 -10.544 -1.081 196 2HB PRO 24 2HB PRO 24 6.497 -12.265 -0.997 197 1HG PRO 24 1HG PRO 24 6.694 -10.533 -3.384 198 2HG PRO 24 2HG PRO 24 6.806 -12.280 -3.283 199 1HD PRO 24 1HD PRO 24 4.557 -10.755 -4.200 200 2HD PRO 24 2HD PRO 24 4.628 -12.493 -3.988 201 H HIS 25 H HIS 25 4.998 -9.936 1.218 202 HA HIS 25 HA HIS 25 3.410 -7.786 1.126 203 1HB HIS 25 1HB HIS 25 5.663 -8.659 2.660 204 2HB HIS 25 2HB HIS 25 5.848 -6.943 2.357 205 HD1 HIS 25 1HD HIS 25 2.487 -6.723 2.345 206 HD2 HIS 25 2HD HIS 25 5.083 -7.976 5.393 207 HE1 HIS 25 1HE HIS 25 1.222 -6.405 4.538 208 H TRP 26 H TRP 26 3.123 -6.208 -0.360 209 HA TRP 26 HA TRP 26 5.550 -5.116 -1.607 210 1HB TRP 26 1HB TRP 26 3.483 -6.545 -2.886 211 2HB TRP 26 2HB TRP 26 3.235 -4.861 -3.301 212 HD1 TRP 26 HD TRP 26 4.601 -4.108 -5.392 213 HE1 TRP 26 1HE TRP 26 6.757 -4.847 -6.723 214 HE3 TRP 26 3HE TRP 26 5.926 -7.843 -2.207 215 HZ2 TRP 26 2HZ TRP 26 8.730 -6.864 -6.303 216 HZ3 TRP 26 3HZ TRP 26 7.982 -9.148 -2.740 217 HH2 TRP 26 HH TRP 26 9.365 -8.711 -4.706 218 HA PRO 27 HA PRO 27 3.886 -1.341 -0.252 219 1HB PRO 27 1HB PRO 27 5.046 0.437 -1.974 220 2HB PRO 27 2HB PRO 27 5.881 -0.243 -0.592 221 1HG PRO 27 1HG PRO 27 6.191 -0.904 -3.457 222 2HG PRO 27 2HG PRO 27 7.282 -1.245 -2.128 223 1HD PRO 27 1HD PRO 27 5.520 -3.102 -3.420 224 2HD PRO 27 2HD PRO 27 6.524 -3.412 -2.017 225 H ALA 28 H ALA 28 1.702 -1.303 -0.367 226 HA ALA 28 HA ALA 28 0.721 -0.329 -2.964 227 1HB ALA 28 1HB ALA 28 -0.723 -2.175 -1.022 228 2HB ALA 28 2HB ALA 28 -1.264 -1.682 -2.645 229 3HB ALA 28 3HB ALA 28 0.161 -2.732 -2.464 230 H ARG 29 H ARG 29 -1.001 1.223 -2.882 231 HA ARG 29 HA ARG 29 -0.976 2.643 -0.370 232 1HB ARG 29 1HB ARG 29 -1.856 4.546 -1.661 233 2HB ARG 29 2HB ARG 29 -0.476 3.872 -2.505 234 1HG ARG 29 1HG ARG 29 -1.840 2.813 -4.154 235 2HG ARG 29 2HG ARG 29 -3.282 2.918 -3.165 236 1HD ARG 29 1HD ARG 29 -3.682 5.140 -3.723 237 2HD ARG 29 2HD ARG 29 -1.980 5.530 -3.860 238 HE ARG 29 HE ARG 29 -2.593 3.707 -5.955 239 1HH1 ARG 29 2HH2 ARG 29 -3.421 6.985 -4.981 240 2HH1 ARG 29 1HH2 ARG 29 -3.712 7.528 -6.600 241 1HH2 ARG 29 2HH1 ARG 29 -2.978 4.423 -8.089 242 2HH2 ARG 29 1HH1 ARG 29 -3.459 6.062 -8.380 243 H ILE 30 H ILE 30 -3.049 3.486 0.548 244 HA ILE 30 HA ILE 30 -5.102 1.487 0.347 245 HB ILE 30 HB ILE 30 -4.119 2.976 2.377 246 1HG1 ILE 30 1HG1 ILE 30 -5.583 0.872 2.327 247 2HG1 ILE 30 2HG1 ILE 30 -5.719 1.933 3.714 248 1HG2 ILE 30 1HG2 ILE 30 -6.650 4.358 1.454 249 2HG2 ILE 30 2HG2 ILE 30 -5.957 4.516 3.085 250 3HG2 ILE 30 3HG2 ILE 30 -5.034 5.071 1.669 251 1HD1 ILE 30 1HD1 ILE 30 -7.863 1.039 2.254 252 2HD1 ILE 30 2HD1 ILE 30 -7.873 2.540 3.213 253 3HD1 ILE 30 3HD1 ILE 30 -7.552 2.604 1.463 254 H ASP 31 H ASP 31 -7.269 1.818 -0.341 255 HA ASP 31 HA ASP 31 -7.819 4.356 -1.586 256 1HB ASP 31 1HB ASP 31 -7.564 1.714 -3.025 257 2HB ASP 31 2HB ASP 31 -8.796 2.833 -3.568 258 H GLU 32 H GLU 32 -10.196 4.616 -1.959 259 HA GLU 32 HA GLU 32 -11.696 2.683 -0.377 260 1HB GLU 32 1HB GLU 32 -13.271 4.491 0.109 261 2HB GLU 32 2HB GLU 32 -11.647 5.010 0.514 262 1HG GLU 32 1HG GLU 32 -11.470 6.242 -1.629 263 2HG GLU 32 2HG GLU 32 -13.045 5.657 -2.125 264 H MET 33 H MET 33 -13.914 2.141 -1.113 265 HA MET 33 HA MET 33 -13.919 1.849 -3.952 266 1HB MET 33 1HB MET 33 -15.747 0.954 -1.669 267 2HB MET 33 2HB MET 33 -16.167 0.639 -3.341 268 1HG MET 33 1HG MET 33 -13.377 -0.121 -2.599 269 2HG MET 33 2HG MET 33 -14.624 -1.038 -1.778 270 1HE MET 33 1HE MET 33 -16.623 -2.776 -4.220 271 2HE MET 33 2HE MET 33 -16.746 -1.536 -2.950 272 3HE MET 33 3HE MET 33 -16.994 -1.091 -4.655 273 HA PRO 34 HA PRO 34 -16.414 5.437 -4.417 274 1HB PRO 34 1HB PRO 34 -16.301 5.574 -7.144 275 2HB PRO 34 2HB PRO 34 -15.084 6.278 -6.097 276 1HG PRO 34 1HG PRO 34 -14.930 3.815 -7.724 277 2HG PRO 34 2HG PRO 34 -13.624 4.752 -7.024 278 1HD PRO 34 1HD PRO 34 -14.664 2.262 -6.050 279 2HD PRO 34 2HD PRO 34 -13.438 3.257 -5.288 280 H GLU 35 H GLU 35 -18.428 6.139 -5.625 281 HA GLU 35 HA GLU 35 -19.927 3.796 -6.408 282 1HB GLU 35 1HB GLU 35 -21.889 4.641 -4.987 283 2HB GLU 35 2HB GLU 35 -20.568 3.890 -4.114 284 1HG GLU 35 1HG GLU 35 -19.610 6.156 -3.626 285 2HG GLU 35 2HG GLU 35 -20.941 6.900 -4.489 286 H ALA 36 H ALA 36 -18.726 5.986 -7.913 287 HA ALA 36 HA ALA 36 -21.054 7.611 -8.618 288 1HB ALA 36 1HB ALA 36 -18.363 8.222 -8.228 289 2HB ALA 36 2HB ALA 36 -18.523 8.160 -9.999 290 3HB ALA 36 3HB ALA 36 -19.562 9.250 -9.049 291 H ALA 37 H ALA 37 -18.296 6.083 -10.429 292 HA ALA 37 HA ALA 37 -19.614 5.895 -12.832 293 1HB ALA 37 1HB ALA 37 -17.892 4.191 -13.368 294 2HB ALA 37 2HB ALA 37 -17.193 5.595 -12.525 295 3HB ALA 37 3HB ALA 37 -17.481 4.078 -11.640 296 H VAL 38 H VAL 38 -19.487 3.557 -10.078 297 HA VAL 38 HA VAL 38 -21.942 2.385 -11.113 298 HB VAL 38 HB VAL 38 -21.050 0.114 -10.770 299 1HG1 VAL 38 1HG1 VAL 38 -21.123 0.820 -13.023 300 2HG1 VAL 38 2HG1 VAL 38 -19.727 1.903 -12.820 301 3HG1 VAL 38 3HG1 VAL 38 -19.493 0.140 -12.803 302 1HG2 VAL 38 1HG2 VAL 38 -18.297 1.377 -10.647 303 2HG2 VAL 38 2HG2 VAL 38 -19.199 0.853 -9.204 304 3HG2 VAL 38 3HG2 VAL 38 -18.732 -0.337 -10.442 305 H LYS 39 H LYS 39 -22.992 0.971 -9.407 306 HA LYS 39 HA LYS 39 -22.369 2.112 -6.777 307 1HB LYS 39 1HB LYS 39 -24.969 1.080 -7.945 308 2HB LYS 39 2HB LYS 39 -24.759 1.504 -6.259 309 1HG LYS 39 1HG LYS 39 -24.949 3.723 -6.708 310 2HG LYS 39 2HG LYS 39 -23.718 3.642 -7.951 311 1HD LYS 39 1HD LYS 39 -26.207 2.364 -8.845 312 2HD LYS 39 2HD LYS 39 -26.494 4.017 -8.341 313 1HE LYS 39 1HE LYS 39 -25.130 4.922 -10.010 314 2HE LYS 39 2HE LYS 39 -24.083 3.518 -10.071 315 1HZ LYS 39 1HZ LYS 39 -26.810 3.700 -11.141 316 2HZ LYS 39 2HZ LYS 39 -25.427 3.563 -11.999 317 3HZ LYS 39 3HZ LYS 39 -25.949 2.313 -11.087 318 H SER 40 H SER 40 -20.973 0.738 -5.763 319 HA SER 40 HA SER 40 -21.622 -2.093 -5.964 320 1HB SER 40 1HB SER 40 -19.063 -0.558 -5.598 321 2HB SER 40 2HB SER 40 -19.170 -2.133 -4.837 322 HG SER 40 HG SER 40 -19.270 -3.139 -6.784 323 H THR 41 H THR 41 -20.976 -3.356 -3.837 324 HA THR 41 HA THR 41 -22.334 -1.995 -1.661 325 HB THR 41 HB THR 41 -22.484 -4.254 -0.740 326 HG1 THR 41 1HG THR 41 -20.714 -5.500 -1.185 327 1HG2 THR 41 1HG2 THR 41 -23.290 -5.617 -2.703 328 2HG2 THR 41 2HG2 THR 41 -23.990 -3.981 -2.694 329 3HG2 THR 41 3HG2 THR 41 -22.649 -4.368 -3.798 330 H ALA 42 H ALA 42 -21.372 -0.980 -0.018 331 HA ALA 42 HA ALA 42 -18.490 -1.089 0.114 332 1HB ALA 42 1HB ALA 42 -18.666 0.902 1.286 333 2HB ALA 42 2HB ALA 42 -20.174 0.957 0.342 334 3HB ALA 42 3HB ALA 42 -20.209 0.442 2.047 335 H ASN 43 H ASN 43 -17.373 -2.453 1.414 336 HA ASN 43 HA ASN 43 -18.390 -3.070 3.984 337 1HB ASN 43 1HB ASN 43 -18.062 -5.345 1.957 338 2HB ASN 43 2HB ASN 43 -18.416 -5.555 3.661 339 1HD2 ASN 43 1HD2 ASN 43 -19.623 -4.809 0.540 340 2HD2 ASN 43 2HD2 ASN 43 -21.304 -4.637 0.926 341 H LYS 44 H LYS 44 -16.154 -3.877 1.254 342 HA LYS 44 HA LYS 44 -14.022 -4.362 3.203 343 1HB LYS 44 1HB LYS 44 -12.908 -5.612 1.526 344 2HB LYS 44 2HB LYS 44 -14.583 -6.126 1.494 345 1HG LYS 44 1HG LYS 44 -14.045 -3.821 -0.290 346 2HG LYS 44 2HG LYS 44 -13.110 -5.244 -0.709 347 1HD LYS 44 1HD LYS 44 -14.952 -6.397 -1.431 348 2HD LYS 44 2HD LYS 44 -15.929 -5.880 -0.070 349 1HE LYS 44 1HE LYS 44 -16.528 -3.815 -1.125 350 2HE LYS 44 2HE LYS 44 -15.225 -3.927 -2.291 351 1HZ LYS 44 1HZ LYS 44 -17.778 -4.806 -2.624 352 2HZ LYS 44 2HZ LYS 44 -16.515 -5.100 -3.616 353 3HZ LYS 44 3HZ LYS 44 -16.907 -6.177 -2.452 354 H TYR 45 H TYR 45 -11.750 -3.673 2.042 355 HA TYR 45 HA TYR 45 -12.143 -0.834 1.383 356 1HB TYR 45 1HB TYR 45 -10.569 -2.368 3.301 357 2HB TYR 45 2HB TYR 45 -9.444 -1.634 2.178 358 HD1 TYR 45 1HD TYR 45 -8.435 -0.129 3.760 359 HD2 TYR 45 2HD TYR 45 -12.665 -0.066 3.119 360 HE1 TYR 45 1HE TYR 45 -8.603 2.066 5.033 361 HE2 TYR 45 2HE TYR 45 -12.819 2.127 4.395 362 HH TYR 45 HH TYR 45 -11.521 3.290 6.135 363 H GLN 46 H GLN 46 -10.719 0.136 -0.203 364 HA GLN 46 HA GLN 46 -10.040 -1.784 -2.236 365 1HB GLN 46 1HB GLN 46 -11.192 0.707 -2.345 366 2HB GLN 46 2HB GLN 46 -9.526 1.114 -2.706 367 1HG GLN 46 1HG GLN 46 -9.489 -0.155 -4.682 368 2HG GLN 46 2HG GLN 46 -10.737 -1.255 -4.130 369 1HE2 GLN 46 1HE2 GLN 46 -10.171 2.152 -4.962 370 2HE2 GLN 46 2HE2 GLN 46 -11.710 2.462 -5.694 371 H VAL 47 H VAL 47 -7.942 -2.191 -3.015 372 HA VAL 47 HA VAL 47 -5.789 -0.763 -1.623 373 HB VAL 47 HB VAL 47 -6.533 -3.343 -1.082 374 1HG1 VAL 47 1HG1 VAL 47 -5.853 -4.136 -3.293 375 2HG1 VAL 47 2HG1 VAL 47 -4.224 -3.459 -3.053 376 3HG1 VAL 47 3HG1 VAL 47 -4.788 -4.804 -2.032 377 1HG2 VAL 47 1HG2 VAL 47 -4.027 -1.743 -0.728 378 2HG2 VAL 47 2HG2 VAL 47 -5.169 -2.367 0.487 379 3HG2 VAL 47 3HG2 VAL 47 -4.004 -3.468 -0.287 380 H PHE 48 H PHE 48 -3.994 -0.243 -2.894 381 HA PHE 48 HA PHE 48 -4.130 -1.143 -5.679 382 1HB PHE 48 1HB PHE 48 -4.607 1.476 -4.556 383 2HB PHE 48 2HB PHE 48 -3.026 1.557 -5.306 384 HD1 PHE 48 1HD PHE 48 -6.560 1.568 -5.859 385 HD2 PHE 48 2HD PHE 48 -2.823 0.896 -7.755 386 HE1 PHE 48 1HE PHE 48 -7.641 1.884 -8.103 387 HE2 PHE 48 2HE PHE 48 -3.904 1.213 -9.998 388 HZ PHE 48 HZ PHE 48 -6.300 1.702 -10.146 389 H PHE 49 H PHE 49 -2.324 -2.371 -5.964 390 HA PHE 49 HA PHE 49 0.013 -1.858 -4.385 391 1HB PHE 49 1HB PHE 49 -0.261 -3.665 -6.838 392 2HB PHE 49 2HB PHE 49 0.746 -3.932 -5.431 393 HD1 PHE 49 1HD PHE 49 -2.659 -4.148 -6.762 394 HD2 PHE 49 2HD PHE 49 -0.170 -4.891 -3.406 395 HE1 PHE 49 1HE PHE 49 -4.450 -5.588 -5.752 396 HE2 PHE 49 2HE PHE 49 -1.962 -6.331 -2.397 397 HZ PHE 49 HZ PHE 49 -4.080 -6.663 -3.583 398 H PHE 50 H PHE 50 1.629 -0.469 -4.909 399 HA PHE 50 HA PHE 50 1.589 0.881 -7.394 400 1HB PHE 50 1HB PHE 50 3.333 0.665 -4.905 401 2HB PHE 50 2HB PHE 50 4.002 1.493 -6.298 402 HD1 PHE 50 1HD PHE 50 2.851 2.290 -3.333 403 HD2 PHE 50 2HD PHE 50 1.710 2.954 -7.366 404 HE1 PHE 50 1HE PHE 50 1.663 4.393 -2.650 405 HE2 PHE 50 2HE PHE 50 0.522 5.057 -6.683 406 HZ PHE 50 HZ PHE 50 0.513 5.752 -4.333 407 H GLY 51 H GLY 51 4.033 -1.349 -5.867 408 1HA GLY 51 1HA GLY 51 5.871 -1.588 -7.803 409 2HA GLY 51 2HA GLY 51 5.318 -2.944 -6.840 410 H THR 52 H THR 52 2.836 -3.600 -7.677 411 HA THR 52 HA THR 52 3.334 -4.529 -10.366 412 HB THR 52 HB THR 52 1.020 -5.659 -9.787 413 HG1 THR 52 1HG THR 52 0.932 -5.587 -7.303 414 1HG2 THR 52 1HG2 THR 52 2.381 -7.399 -9.211 415 2HG2 THR 52 2HG2 THR 52 3.725 -6.265 -8.934 416 3HG2 THR 52 3HG2 THR 52 2.607 -6.660 -7.607 417 H HIS 53 H HIS 53 1.386 -2.059 -8.726 418 HA HIS 53 HA HIS 53 0.292 -0.344 -9.570 419 1HB HIS 53 1HB HIS 53 2.119 -0.651 -11.459 420 2HB HIS 53 2HB HIS 53 0.743 -1.155 -12.420 421 HD1 HIS 53 1HD HIS 53 -1.430 0.746 -11.980 422 HD2 HIS 53 2HD HIS 53 2.568 2.004 -11.824 423 HE1 HIS 53 1HE HIS 53 -1.457 3.266 -12.381 424 H GLU 54 H GLU 54 -0.956 -2.809 -8.832 425 HA GLU 54 HA GLU 54 -3.201 -2.762 -10.696 426 1HB GLU 54 1HB GLU 54 -2.005 -5.097 -9.158 427 2HB GLU 54 2HB GLU 54 -3.618 -5.164 -9.838 428 1HG GLU 54 1HG GLU 54 -1.839 -4.144 -11.873 429 2HG GLU 54 2HG GLU 54 -1.099 -5.573 -11.179 430 H THR 55 H THR 55 -5.233 -3.876 -9.383 431 HA THR 55 HA THR 55 -5.269 -2.729 -6.681 432 HB THR 55 HB THR 55 -7.244 -2.214 -8.963 433 HG1 THR 55 1HG THR 55 -5.238 -0.916 -8.762 434 1HG2 THR 55 1HG2 THR 55 -7.359 -1.067 -6.141 435 2HG2 THR 55 2HG2 THR 55 -8.608 -1.001 -7.408 436 3HG2 THR 55 3HG2 THR 55 -8.266 -2.536 -6.572 437 H ALA 56 H ALA 56 -6.783 -3.689 -5.231 438 HA ALA 56 HA ALA 56 -8.306 -5.937 -6.162 439 1HB ALA 56 1HB ALA 56 -5.891 -6.329 -4.349 440 2HB ALA 56 2HB ALA 56 -7.134 -7.560 -4.678 441 3HB ALA 56 3HB ALA 56 -6.095 -6.970 -5.997 442 H PHE 57 H PHE 57 -9.349 -7.037 -4.099 443 HA PHE 57 HA PHE 57 -10.210 -4.810 -2.430 444 1HB PHE 57 1HB PHE 57 -12.099 -6.392 -1.952 445 2HB PHE 57 2HB PHE 57 -11.869 -6.236 -3.683 446 HD1 PHE 57 1HD PHE 57 -11.766 -8.480 -0.848 447 HD2 PHE 57 2HD PHE 57 -10.758 -8.066 -4.949 448 HE1 PHE 57 1HE PHE 57 -11.535 -10.972 -1.044 449 HE2 PHE 57 2HE PHE 57 -10.527 -10.557 -5.145 450 HZ PHE 57 HZ PHE 57 -10.919 -11.981 -3.189 451 H LEU 58 H LEU 58 -8.934 -4.552 -0.635 452 HA LEU 58 HA LEU 58 -8.559 -6.948 1.004 453 1HB LEU 58 1HB LEU 58 -6.456 -4.972 0.143 454 2HB LEU 58 2HB LEU 58 -6.289 -5.920 1.607 455 HG LEU 58 HG LEU 58 -6.547 -7.999 0.199 456 1HD1 LEU 58 1HD1 LEU 58 -7.061 -6.014 -1.844 457 2HD1 LEU 58 2HD1 LEU 58 -5.707 -7.075 -2.305 458 3HD1 LEU 58 3HD1 LEU 58 -7.287 -7.780 -1.882 459 1HD2 LEU 58 1HD2 LEU 58 -4.351 -7.993 0.534 460 2HD2 LEU 58 2HD2 LEU 58 -4.171 -7.173 -1.036 461 3HD2 LEU 58 3HD2 LEU 58 -4.285 -6.215 0.459 462 H GLY 59 H GLY 59 -7.627 -6.050 3.294 463 1HA GLY 59 1HA GLY 59 -9.221 -3.655 3.977 464 2HA GLY 59 2HA GLY 59 -9.324 -5.132 4.915 465 HA PRO 60 HA PRO 60 -5.998 -2.759 6.820 466 1HB PRO 60 1HB PRO 60 -6.806 -3.068 9.412 467 2HB PRO 60 2HB PRO 60 -7.260 -1.694 8.424 468 1HG PRO 60 1HG PRO 60 -8.896 -4.021 9.225 469 2HG PRO 60 2HG PRO 60 -9.425 -2.465 8.616 470 1HD PRO 60 1HD PRO 60 -9.313 -4.931 7.155 471 2HD PRO 60 2HD PRO 60 -9.729 -3.353 6.517 472 H LYS 61 H LYS 61 -7.277 -5.907 7.424 473 HA LYS 61 HA LYS 61 -5.041 -6.793 8.922 474 1HB LYS 61 1HB LYS 61 -6.967 -8.522 7.357 475 2HB LYS 61 2HB LYS 61 -6.044 -8.948 8.783 476 1HG LYS 61 1HG LYS 61 -7.743 -6.561 9.200 477 2HG LYS 61 2HG LYS 61 -8.670 -7.982 8.759 478 1HD LYS 61 1HD LYS 61 -7.437 -9.270 10.578 479 2HD LYS 61 2HD LYS 61 -6.683 -7.766 11.068 480 1HE LYS 61 1HE LYS 61 -9.107 -6.817 11.262 481 2HE LYS 61 2HE LYS 61 -9.641 -8.482 11.159 482 1HZ LYS 61 1HZ LYS 61 -8.218 -7.159 13.283 483 2HZ LYS 61 2HZ LYS 61 -9.335 -8.347 13.359 484 3HZ LYS 61 3HZ LYS 61 -7.783 -8.707 12.997 485 H ASP 62 H ASP 62 -5.974 -6.857 5.442 486 HA ASP 62 HA ASP 62 -3.737 -8.391 4.713 487 1HB ASP 62 1HB ASP 62 -5.880 -6.815 3.326 488 2HB ASP 62 2HB ASP 62 -4.418 -7.099 2.402 489 H LEU 63 H LEU 63 -4.115 -5.190 5.817 490 HA LEU 63 HA LEU 63 -1.750 -4.289 4.326 491 1HB LEU 63 1HB LEU 63 -4.187 -2.863 5.317 492 2HB LEU 63 2HB LEU 63 -2.675 -1.990 5.179 493 HG LEU 63 HG LEU 63 -4.199 -3.366 2.955 494 1HD1 LEU 63 1HD1 LEU 63 -3.503 -0.574 2.569 495 2HD1 LEU 63 2HD1 LEU 63 -5.086 -1.383 2.484 496 3HD1 LEU 63 3HD1 LEU 63 -4.459 -0.816 4.050 497 1HD2 LEU 63 1HD2 LEU 63 -2.254 -3.670 1.917 498 2HD2 LEU 63 2HD2 LEU 63 -2.146 -1.896 1.790 499 3HD2 LEU 63 3HD2 LEU 63 -1.364 -2.743 3.149 500 H PHE 64 H PHE 64 0.089 -4.371 5.489 501 HA PHE 64 HA PHE 64 -0.180 -4.271 8.400 502 1HB PHE 64 1HB PHE 64 1.575 -5.556 6.332 503 2HB PHE 64 2HB PHE 64 2.460 -4.930 7.710 504 HD1 PHE 64 1HD PHE 64 3.056 -6.681 9.082 505 HD2 PHE 64 2HD PHE 64 -0.851 -6.641 7.424 506 HE1 PHE 64 1HE PHE 64 2.479 -8.745 10.389 507 HE2 PHE 64 2HE PHE 64 -1.427 -8.705 8.732 508 HZ PHE 64 HZ PHE 64 0.246 -9.733 10.198 509 HA PRO 65 HA PRO 65 1.769 -0.395 8.411 510 1HB PRO 65 1HB PRO 65 2.468 -0.228 11.047 511 2HB PRO 65 2HB PRO 65 0.858 0.131 10.458 512 1HG PRO 65 1HG PRO 65 1.805 -2.258 11.919 513 2HG PRO 65 2HG PRO 65 0.164 -1.685 11.699 514 1HD PRO 65 1HD PRO 65 1.419 -3.864 10.321 515 2HD PRO 65 2HD PRO 65 -0.181 -3.218 10.020 516 H TYR 66 H TYR 66 3.816 0.807 8.890 517 HA TYR 66 HA TYR 66 5.951 -0.937 8.069 518 1HB TYR 66 1HB TYR 66 5.858 1.273 7.081 519 2HB TYR 66 2HB TYR 66 5.403 2.021 8.599 520 HD1 TYR 66 1HD TYR 66 7.106 2.558 10.299 521 HD2 TYR 66 2HD TYR 66 8.192 0.847 6.531 522 HE1 TYR 66 1HE TYR 66 9.531 3.215 10.690 523 HE2 TYR 66 2HE TYR 66 10.612 1.509 6.936 524 HH TYR 66 HH TYR 66 11.788 3.294 8.278 525 H GLU 67 H GLU 67 4.951 0.887 10.999 526 HA GLU 67 HA GLU 67 7.300 0.725 12.381 527 1HB GLU 67 1HB GLU 67 4.393 0.874 13.170 528 2HB GLU 67 2HB GLU 67 5.584 0.606 14.428 529 1HG GLU 67 1HG GLU 67 6.109 2.809 14.417 530 2HG GLU 67 2HG GLU 67 6.613 2.691 12.742 531 H GLU 68 H GLU 68 4.543 -1.630 12.278 532 HA GLU 68 HA GLU 68 5.794 -3.421 14.032 533 1HB GLU 68 1HB GLU 68 3.287 -3.213 13.380 534 2HB GLU 68 2HB GLU 68 3.693 -4.164 11.965 535 1HG GLU 68 1HG GLU 68 4.738 -5.886 13.583 536 2HG GLU 68 2HG GLU 68 3.989 -4.985 14.887 537 H SER 69 H SER 69 5.852 -2.913 10.504 538 HA SER 69 HA SER 69 6.911 -5.395 9.837 539 1HB SER 69 1HB SER 69 6.854 -4.567 7.714 540 2HB SER 69 2HB SER 69 5.998 -3.223 8.442 541 HG SER 69 HG SER 69 7.685 -1.924 8.119 542 H LYS 70 H LYS 70 8.480 -2.156 10.370 543 HA LYS 70 HA LYS 70 11.098 -3.161 10.066 544 1HB LYS 70 1HB LYS 70 11.747 -1.001 10.334 545 2HB LYS 70 2HB LYS 70 10.059 -0.715 9.964 546 1HG LYS 70 1HG LYS 70 9.823 -1.034 12.646 547 2HG LYS 70 2HG LYS 70 11.491 -0.500 12.601 548 1HD LYS 70 1HD LYS 70 10.703 1.465 11.133 549 2HD LYS 70 2HD LYS 70 9.061 0.979 11.506 550 1HE LYS 70 1HE LYS 70 11.190 1.747 13.560 551 2HE LYS 70 2HE LYS 70 9.855 2.763 13.052 552 1HZ LYS 70 1HZ LYS 70 9.532 1.433 15.125 553 2HZ LYS 70 2HZ LYS 70 8.334 1.311 14.022 554 3HZ LYS 70 3HZ LYS 70 9.417 0.100 14.191 555 H GLU 71 H GLU 71 8.735 -3.459 12.564 556 HA GLU 71 HA GLU 71 10.485 -3.488 14.749 557 1HB GLU 71 1HB GLU 71 7.649 -4.001 14.218 558 2HB GLU 71 2HB GLU 71 8.285 -5.135 15.391 559 1HG GLU 71 1HG GLU 71 9.408 -2.734 16.245 560 2HG GLU 71 2HG GLU 71 7.848 -2.210 15.641 561 H LYS 72 H LYS 72 9.044 -6.089 12.677 562 HA LYS 72 HA LYS 72 10.928 -7.964 13.911 563 1HB LYS 72 1HB LYS 72 8.712 -8.752 14.160 564 2HB LYS 72 2HB LYS 72 8.276 -8.329 12.517 565 1HG LYS 72 1HG LYS 72 8.623 -10.656 12.362 566 2HG LYS 72 2HG LYS 72 10.151 -10.011 11.796 567 1HD LYS 72 1HD LYS 72 10.095 -10.337 14.730 568 2HD LYS 72 2HD LYS 72 9.804 -11.847 13.891 569 1HE LYS 72 1HE LYS 72 11.873 -11.227 12.423 570 2HE LYS 72 2HE LYS 72 12.217 -10.007 13.633 571 1HZ LYS 72 1HZ LYS 72 12.964 -11.556 14.992 572 2HZ LYS 72 2HZ LYS 72 11.645 -12.504 14.819 573 3HZ LYS 72 3HZ LYS 72 12.886 -12.630 13.764 574 H PHE 73 H PHE 73 9.382 -7.516 10.650 575 HA PHE 73 HA PHE 73 12.079 -7.674 9.522 576 1HB PHE 73 1HB PHE 73 9.673 -9.423 9.224 577 2HB PHE 73 2HB PHE 73 10.307 -8.882 7.681 578 HD1 PHE 73 1HD PHE 73 11.922 -9.968 10.878 579 HD2 PHE 73 2HD PHE 73 11.547 -10.542 6.689 580 HE1 PHE 73 1HE PHE 73 13.673 -11.763 10.967 581 HE2 PHE 73 2HE PHE 73 13.300 -12.339 6.779 582 HZ PHE 73 HZ PHE 73 14.340 -12.928 8.917 583 H GLY 74 H GLY 74 8.854 -7.619 7.921 584 1HA GLY 74 1HA GLY 74 7.806 -6.010 6.731 585 2HA GLY 74 2HA GLY 74 8.847 -4.806 7.464 586 H LYS 75 H LYS 75 10.716 -7.367 6.141 587 HA LYS 75 HA LYS 75 11.157 -5.773 3.712 588 1HB LYS 75 1HB LYS 75 13.192 -7.540 5.088 589 2HB LYS 75 2HB LYS 75 13.465 -6.395 3.790 590 1HG LYS 75 1HG LYS 75 12.478 -5.641 6.582 591 2HG LYS 75 2HG LYS 75 14.142 -5.512 6.049 592 1HD LYS 75 1HD LYS 75 13.294 -4.007 4.139 593 2HD LYS 75 2HD LYS 75 11.737 -3.997 4.941 594 1HE LYS 75 1HE LYS 75 12.471 -2.636 6.661 595 2HE LYS 75 2HE LYS 75 14.063 -3.366 6.709 596 1HZ LYS 75 1HZ LYS 75 13.106 -1.453 4.695 597 2HZ LYS 75 2HZ LYS 75 14.204 -1.160 5.868 598 3HZ LYS 75 3HZ LYS 75 14.565 -2.186 4.649 599 HA PRO 76 HA PRO 76 9.545 -9.586 2.124 600 1HB PRO 76 1HB PRO 76 8.412 -8.524 -0.123 601 2HB PRO 76 2HB PRO 76 7.557 -8.683 1.397 602 1HG PRO 76 1HG PRO 76 8.682 -6.252 0.148 603 2HG PRO 76 2HG PRO 76 7.481 -6.378 1.419 604 1HD PRO 76 1HD PRO 76 10.248 -5.693 1.734 605 2HD PRO 76 2HD PRO 76 9.076 -5.933 3.014 606 H ASN 77 H ASN 77 9.708 -10.717 -0.105 607 HA ASN 77 HA ASN 77 12.323 -11.064 -0.601 608 1HB ASN 77 1HB ASN 77 10.211 -11.192 -2.807 609 2HB ASN 77 2HB ASN 77 11.648 -12.183 -2.659 610 1HD2 ASN 77 1HD2 ASN 77 8.495 -11.446 -1.305 611 2HD2 ASN 77 2HD2 ASN 77 8.234 -12.942 -0.474 612 H LYS 78 H LYS 78 13.918 -9.936 -1.779 613 HA LYS 78 HA LYS 78 13.154 -7.371 -2.851 614 1HB LYS 78 1HB LYS 78 15.187 -7.862 -1.370 615 2HB LYS 78 2HB LYS 78 15.921 -8.586 -2.786 616 1HG LYS 78 1HG LYS 78 16.670 -6.422 -3.101 617 2HG LYS 78 2HG LYS 78 15.133 -6.273 -3.930 618 1HD LYS 78 1HD LYS 78 14.761 -4.520 -2.512 619 2HD LYS 78 2HD LYS 78 14.359 -5.754 -1.334 620 1HE LYS 78 1HE LYS 78 16.069 -4.997 -0.047 621 2HE LYS 78 2HE LYS 78 17.186 -5.600 -1.254 622 1HZ LYS 78 1HZ LYS 78 16.444 -3.328 -2.366 623 2HZ LYS 78 2HZ LYS 78 16.292 -2.909 -0.795 624 3HZ LYS 78 3HZ LYS 78 17.726 -3.450 -1.359 625 H ARG 79 H ARG 79 11.877 -7.912 -4.685 626 HA ARG 79 HA ARG 79 13.274 -9.436 -6.709 627 1HB ARG 79 1HB ARG 79 10.366 -8.545 -6.424 628 2HB ARG 79 2HB ARG 79 10.972 -9.307 -7.880 629 1HG ARG 79 1HG ARG 79 11.331 -10.597 -5.144 630 2HG ARG 79 2HG ARG 79 9.872 -10.838 -6.084 631 1HD ARG 79 1HD ARG 79 11.185 -11.771 -7.963 632 2HD ARG 79 2HD ARG 79 12.685 -11.429 -7.125 633 HE ARG 79 HE ARG 79 12.373 -13.361 -5.851 634 1HH1 ARG 79 2HH2 ARG 79 9.276 -12.388 -7.212 635 2HH1 ARG 79 1HH2 ARG 79 8.441 -13.797 -6.647 636 1HH2 ARG 79 2HH1 ARG 79 11.271 -15.220 -5.105 637 2HH2 ARG 79 1HH1 ARG 79 9.584 -15.417 -5.441 638 H LYS 80 H LYS 80 12.224 -8.456 -9.078 639 HA LYS 80 HA LYS 80 13.681 -6.054 -9.400 640 1HB LYS 80 1HB LYS 80 12.598 -8.101 -11.043 641 2HB LYS 80 2HB LYS 80 11.908 -6.590 -11.604 642 1HG LYS 80 1HG LYS 80 14.834 -6.517 -10.970 643 2HG LYS 80 2HG LYS 80 14.383 -7.501 -12.348 644 1HD LYS 80 1HD LYS 80 14.248 -5.615 -13.597 645 2HD LYS 80 2HD LYS 80 12.870 -5.117 -12.634 646 1HE LYS 80 1HE LYS 80 14.135 -3.351 -11.959 647 2HE LYS 80 2HE LYS 80 15.030 -4.489 -10.970 648 1HZ LYS 80 1HZ LYS 80 16.424 -3.201 -12.481 649 2HZ LYS 80 2HZ LYS 80 16.560 -4.806 -12.748 650 3HZ LYS 80 3HZ LYS 80 15.686 -3.881 -13.770 651 H GLY 81 H GLY 81 10.150 -6.867 -9.398 652 1HA GLY 81 1HA GLY 81 9.311 -4.179 -9.766 653 2HA GLY 81 2HA GLY 81 8.335 -5.540 -9.249 654 H PHE 82 H PHE 82 10.785 -5.776 -7.106 655 HA PHE 82 HA PHE 82 9.279 -4.426 -5.071 656 1HB PHE 82 1HB PHE 82 10.308 -6.655 -4.699 657 2HB PHE 82 2HB PHE 82 11.872 -6.067 -5.226 658 HD1 PHE 82 1HD PHE 82 12.748 -3.970 -3.792 659 HD2 PHE 82 2HD PHE 82 9.978 -6.885 -2.432 660 HE1 PHE 82 1HE PHE 82 13.346 -3.431 -1.414 661 HE2 PHE 82 2HE PHE 82 10.576 -6.346 -0.056 662 HZ PHE 82 HZ PHE 82 12.252 -4.624 0.425 663 H SER 83 H SER 83 12.535 -4.143 -6.620 664 HA SER 83 HA SER 83 13.368 -2.068 -4.950 665 1HB SER 83 1HB SER 83 14.880 -3.525 -6.320 666 2HB SER 83 2HB SER 83 14.285 -2.757 -7.778 667 HG SER 83 HG SER 83 15.837 -1.584 -5.649 668 H GLU 84 H GLU 84 12.159 -2.091 -8.385 669 HA GLU 84 HA GLU 84 12.084 0.709 -8.520 670 1HB GLU 84 1HB GLU 84 11.354 0.402 -10.711 671 2HB GLU 84 2HB GLU 84 12.150 -1.131 -10.412 672 1HG GLU 84 1HG GLU 84 9.940 -2.143 -9.780 673 2HG GLU 84 2HG GLU 84 9.152 -0.613 -10.113 674 H GLY 85 H GLY 85 9.951 -1.725 -7.191 675 1HA GLY 85 1HA GLY 85 7.514 -0.250 -7.406 676 2HA GLY 85 2HA GLY 85 7.827 -1.661 -6.416 677 H LEU 86 H LEU 86 9.721 -1.034 -4.614 678 HA LEU 86 HA LEU 86 8.395 0.598 -2.799 679 1HB LEU 86 1HB LEU 86 9.741 -0.940 -1.804 680 2HB LEU 86 2HB LEU 86 11.032 -0.752 -2.975 681 HG LEU 86 HG LEU 86 11.490 0.016 -0.593 682 1HD1 LEU 86 1HD1 LEU 86 11.936 2.201 -2.625 683 2HD1 LEU 86 2HD1 LEU 86 12.991 1.677 -1.291 684 3HD1 LEU 86 3HD1 LEU 86 12.774 0.634 -2.716 685 1HD2 LEU 86 1HD2 LEU 86 9.156 1.562 -1.076 686 2HD2 LEU 86 2HD2 LEU 86 10.171 1.501 0.387 687 3HD2 LEU 86 3HD2 LEU 86 10.523 2.687 -0.893 688 H TRP 87 H TRP 87 10.682 1.320 -5.390 689 HA TRP 87 HA TRP 87 11.224 3.960 -4.342 690 1HB TRP 87 1HB TRP 87 12.514 2.164 -6.096 691 2HB TRP 87 2HB TRP 87 12.068 3.553 -7.064 692 HD1 TRP 87 HD TRP 87 13.240 5.940 -6.377 693 HE1 TRP 87 1HE TRP 87 15.424 6.596 -5.050 694 HE3 TRP 87 3HE TRP 87 13.888 1.408 -4.166 695 HZ2 TRP 87 2HZ TRP 87 17.141 5.178 -3.265 696 HZ3 TRP 87 3HZ TRP 87 15.843 1.127 -2.645 697 HH2 TRP 87 HH TRP 87 17.438 2.919 -2.181 698 H GLU 88 H GLU 88 8.936 2.257 -6.380 699 HA GLU 88 HA GLU 88 8.232 4.454 -7.982 700 1HB GLU 88 1HB GLU 88 7.207 1.703 -7.458 701 2HB GLU 88 2HB GLU 88 6.005 2.847 -8.024 702 1HG GLU 88 1HG GLU 88 8.546 3.042 -9.524 703 2HG GLU 88 2HG GLU 88 7.829 1.447 -9.629 704 H ILE 89 H ILE 89 7.499 3.462 -4.699 705 HA ILE 89 HA ILE 89 5.201 5.262 -4.606 706 HB ILE 89 HB ILE 89 4.620 3.251 -3.646 707 1HG1 ILE 89 1HG1 ILE 89 4.386 5.366 -2.152 708 2HG1 ILE 89 2HG1 ILE 89 4.050 3.784 -1.475 709 1HG2 ILE 89 1HG2 ILE 89 6.609 2.014 -3.622 710 2HG2 ILE 89 2HG2 ILE 89 7.420 3.163 -2.532 711 3HG2 ILE 89 3HG2 ILE 89 6.124 2.114 -1.911 712 1HD1 ILE 89 1HD1 ILE 89 5.862 3.848 -0.071 713 2HD1 ILE 89 2HD1 ILE 89 6.902 4.630 -1.286 714 3HD1 ILE 89 3HD1 ILE 89 5.754 5.606 -0.335 715 H GLU 90 H GLU 90 8.462 4.677 -3.180 716 HA GLU 90 HA GLU 90 8.279 6.982 -1.554 717 1HB GLU 90 1HB GLU 90 10.344 4.910 -2.193 718 2HB GLU 90 2HB GLU 90 10.950 6.448 -1.614 719 1HG GLU 90 1HG GLU 90 8.622 5.365 -0.091 720 2HG GLU 90 2HG GLU 90 10.086 4.407 0.022 721 H ASN 91 H ASN 91 9.327 6.249 -4.856 722 HA ASN 91 HA ASN 91 9.974 9.070 -5.133 723 1HB ASN 91 1HB ASN 91 11.439 6.861 -6.652 724 2HB ASN 91 2HB ASN 91 11.870 8.557 -6.572 725 1HD2 ASN 91 1HD2 ASN 91 11.110 5.898 -4.319 726 2HD2 ASN 91 2HD2 ASN 91 12.430 6.152 -3.228 727 H ASN 92 H ASN 92 7.543 8.812 -5.808 728 HA ASN 92 HA ASN 92 6.948 7.317 -8.092 729 1HB ASN 92 1HB ASN 92 4.877 8.921 -8.115 730 2HB ASN 92 2HB ASN 92 5.084 7.889 -6.714 731 1HD2 ASN 92 1HD2 ASN 92 3.713 9.486 -5.695 732 2HD2 ASN 92 2HD2 ASN 92 4.404 10.913 -5.000 733 HA PRO 93 HA PRO 93 8.501 10.248 -10.995 734 1HB PRO 93 1HB PRO 93 7.658 9.043 -13.298 735 2HB PRO 93 2HB PRO 93 9.129 8.587 -12.460 736 1HG PRO 93 1HG PRO 93 6.535 7.172 -12.556 737 2HG PRO 93 2HG PRO 93 8.109 6.550 -12.099 738 1HD PRO 93 1HD PRO 93 5.965 7.259 -10.330 739 2HD PRO 93 2HD PRO 93 7.577 6.748 -9.871 740 H THR 94 H THR 94 5.169 9.242 -11.048 741 HA THR 94 HA THR 94 4.518 11.975 -11.929 742 HB THR 94 HB THR 94 4.198 10.338 -13.789 743 HG1 THR 94 1HG THR 94 1.836 10.842 -13.917 744 1HG2 THR 94 1HG2 THR 94 3.601 8.420 -12.006 745 2HG2 THR 94 2HG2 THR 94 1.955 9.068 -12.203 746 3HG2 THR 94 3HG2 THR 94 2.835 8.428 -13.612 747 H VAL 95 H VAL 95 4.306 12.665 -9.759 748 HA VAL 95 HA VAL 95 2.559 11.233 -8.009 749 HB VAL 95 HB VAL 95 4.596 12.676 -7.445 750 1HG1 VAL 95 1HG1 VAL 95 2.706 14.991 -7.251 751 2HG1 VAL 95 2HG1 VAL 95 4.479 14.969 -7.409 752 3HG1 VAL 95 3HG1 VAL 95 3.456 14.637 -8.827 753 1HG2 VAL 95 1HG2 VAL 95 3.873 12.766 -5.292 754 2HG2 VAL 95 2HG2 VAL 95 2.346 13.573 -5.719 755 3HG2 VAL 95 3HG2 VAL 95 2.522 11.817 -5.955 756 H LYS 96 H LYS 96 0.871 12.962 -6.828 757 HA LYS 96 HA LYS 96 -0.486 14.694 -8.566 758 1HB LYS 96 1HB LYS 96 -2.467 13.422 -9.094 759 2HB LYS 96 2HB LYS 96 -1.062 12.604 -9.743 760 1HG LYS 96 1HG LYS 96 -2.096 10.792 -8.731 761 2HG LYS 96 2HG LYS 96 -1.115 11.333 -7.382 762 1HD LYS 96 1HD LYS 96 -2.941 11.922 -6.151 763 2HD LYS 96 2HD LYS 96 -3.668 12.787 -7.491 764 1HE LYS 96 1HE LYS 96 -4.098 10.290 -8.410 765 2HE LYS 96 2HE LYS 96 -3.975 9.888 -6.709 766 1HZ LYS 96 1HZ LYS 96 -5.610 11.782 -6.400 767 2HZ LYS 96 2HZ LYS 96 -5.894 11.669 -8.003 768 3HZ LYS 96 3HZ LYS 96 -6.185 10.390 -7.030 769 H ALA 97 H ALA 97 -0.690 12.371 -5.815 770 HA ALA 97 HA ALA 97 -2.561 14.076 -4.441 771 1HB ALA 97 1HB ALA 97 -1.246 11.409 -3.996 772 2HB ALA 97 2HB ALA 97 -1.931 12.272 -2.597 773 3HB ALA 97 3HB ALA 97 -2.972 11.843 -3.976 774 H SER 98 H SER 98 -1.819 15.983 -3.634 775 HA SER 98 HA SER 98 -0.630 17.405 -2.507 776 1HB SER 98 1HB SER 98 0.169 14.832 -1.182 777 2HB SER 98 2HB SER 98 1.152 16.238 -0.827 778 HG SER 98 HG SER 98 -1.707 15.971 -0.450 779 H GLY 99 H GLY 99 1.633 18.370 -2.271 780 1HA GLY 99 1HA GLY 99 3.328 17.401 -4.485 781 2HA GLY 99 2HA GLY 99 3.218 19.055 -3.916 782 H TYR 100 H TYR 100 5.597 18.999 -3.709 783 HA TYR 100 HA TYR 100 6.543 17.348 -1.482 784 1HB TYR 100 1HB TYR 100 8.329 17.195 -2.959 785 2HB TYR 100 2HB TYR 100 7.485 18.249 -4.076 786 HD1 TYR 100 1HD TYR 100 8.727 20.056 -4.807 787 HD2 TYR 100 2HD TYR 100 9.292 18.664 -0.801 788 HE1 TYR 100 1HE TYR 100 10.479 21.857 -4.422 789 HE2 TYR 100 2HE TYR 100 11.043 20.470 -0.429 790 HH TYR 100 HH TYR 100 12.172 22.459 -3.081 Start of MODEL 3 1 H MET 1 H MET 1 16.113 13.204 7.830 2 HA MET 1 HA MET 1 14.342 14.655 8.805 3 1HB MET 1 1HB MET 1 15.174 16.093 6.282 4 2HB MET 1 2HB MET 1 13.461 16.101 6.653 5 1HG MET 1 1HG MET 1 14.195 18.027 7.785 6 2HG MET 1 2HG MET 1 14.226 16.837 9.072 7 1HE MET 1 1HE MET 1 15.581 19.609 8.151 8 2HE MET 1 2HE MET 1 16.327 19.313 9.739 9 3HE MET 1 3HE MET 1 17.355 19.586 8.311 10 H SER 2 H SER 2 12.327 13.677 8.597 11 HA SER 2 HA SER 2 11.749 12.411 6.063 12 1HB SER 2 1HB SER 2 10.986 10.329 7.396 13 2HB SER 2 2HB SER 2 12.709 10.539 7.148 14 HG SER 2 HG SER 2 11.173 11.027 9.538 15 H ARG 3 H ARG 3 9.471 12.191 5.665 16 HA ARG 3 HA ARG 3 7.898 14.079 6.856 17 1HB ARG 3 1HB ARG 3 6.007 12.958 5.674 18 2HB ARG 3 2HB ARG 3 7.414 13.086 4.638 19 1HG ARG 3 1HG ARG 3 7.790 10.629 5.961 20 2HG ARG 3 2HG ARG 3 6.064 10.676 5.662 21 1HD ARG 3 1HD ARG 3 7.367 11.628 3.275 22 2HD ARG 3 2HD ARG 3 8.200 10.169 3.775 23 HE ARG 3 HE ARG 3 5.347 9.775 3.951 24 1HH1 ARG 3 2HH2 ARG 3 7.959 10.013 1.606 25 2HH1 ARG 3 1HH2 ARG 3 7.154 9.043 0.418 26 1HH2 ARG 3 2HH1 ARG 3 4.284 8.495 2.386 27 2HH2 ARG 3 1HH1 ARG 3 5.048 8.174 0.866 28 H SER 4 H SER 4 5.806 13.712 8.122 29 HA SER 4 HA SER 4 6.322 11.679 10.132 30 1HB SER 4 1HB SER 4 5.267 14.437 10.178 31 2HB SER 4 2HB SER 4 4.286 13.323 11.111 32 HG SER 4 HG SER 4 5.998 12.856 12.460 33 H ASN 5 H ASN 5 5.102 9.838 9.980 34 HA ASN 5 HA ASN 5 2.586 10.069 8.552 35 1HB ASN 5 1HB ASN 5 2.742 7.537 8.441 36 2HB ASN 5 2HB ASN 5 4.085 8.350 7.659 37 1HD2 ASN 5 1HD2 ASN 5 3.052 6.289 10.198 38 2HD2 ASN 5 2HD2 ASN 5 4.592 5.922 10.899 39 H ARG 6 H ARG 6 0.845 8.385 9.474 40 HA ARG 6 HA ARG 6 0.430 9.118 12.157 41 1HB ARG 6 1HB ARG 6 -1.689 7.927 11.937 42 2HB ARG 6 2HB ARG 6 -1.393 8.768 10.428 43 1HG ARG 6 1HG ARG 6 -0.202 6.068 10.447 44 2HG ARG 6 2HG ARG 6 -1.932 6.027 10.720 45 1HD ARG 6 1HD ARG 6 -2.202 6.256 8.474 46 2HD ARG 6 2HD ARG 6 -1.640 7.907 8.642 47 HE ARG 6 HE ARG 6 0.518 5.914 8.468 48 1HH1 ARG 6 2HH2 ARG 6 -1.587 8.095 6.680 49 2HH1 ARG 6 1HH2 ARG 6 -0.543 8.178 5.302 50 1HH2 ARG 6 2HH1 ARG 6 1.896 6.023 6.648 51 2HH2 ARG 6 1HH1 ARG 6 1.451 6.991 5.281 52 H GLN 7 H GLN 7 -0.601 7.001 13.545 53 HA GLN 7 HA GLN 7 1.670 5.176 13.646 54 1HB GLN 7 1HB GLN 7 0.779 4.802 16.065 55 2HB GLN 7 2HB GLN 7 1.625 6.295 15.717 56 1HG GLN 7 1HG GLN 7 -1.398 6.123 15.453 57 2HG GLN 7 2HG GLN 7 -0.650 6.425 17.009 58 1HE2 GLN 7 1HE2 GLN 7 -2.176 7.931 14.690 59 2HE2 GLN 7 2HE2 GLN 7 -1.387 9.472 14.628 60 H LYS 8 H LYS 8 -1.916 5.468 13.776 61 HA LYS 8 HA LYS 8 -2.064 2.696 12.893 62 1HB LYS 8 1HB LYS 8 -3.991 2.356 14.520 63 2HB LYS 8 2HB LYS 8 -2.372 2.328 15.189 64 1HG LYS 8 1HG LYS 8 -3.534 5.050 15.123 65 2HG LYS 8 2HG LYS 8 -4.481 3.932 16.084 66 1HD LYS 8 1HD LYS 8 -1.523 3.789 16.502 67 2HD LYS 8 2HD LYS 8 -2.282 5.279 17.026 68 1HE LYS 8 1HE LYS 8 -3.817 4.081 18.492 69 2HE LYS 8 2HE LYS 8 -3.347 2.533 17.820 70 1HZ LYS 8 1HZ LYS 8 -2.039 4.095 19.796 71 2HZ LYS 8 2HZ LYS 8 -1.900 2.500 19.473 72 3HZ LYS 8 3HZ LYS 8 -1.013 3.584 18.632 73 H GLU 9 H GLU 9 -3.612 5.889 13.475 74 HA GLU 9 HA GLU 9 -5.908 5.406 12.041 75 1HB GLU 9 1HB GLU 9 -5.981 7.927 11.798 76 2HB GLU 9 2HB GLU 9 -5.747 7.360 13.440 77 1HG GLU 9 1HG GLU 9 -3.234 7.658 13.102 78 2HG GLU 9 2HG GLU 9 -3.583 8.399 11.554 79 H TYR 10 H TYR 10 -5.736 4.393 10.040 80 HA TYR 10 HA TYR 10 -4.098 5.812 8.046 81 1HB TYR 10 1HB TYR 10 -3.483 3.648 7.256 82 2HB TYR 10 2HB TYR 10 -3.656 3.312 8.967 83 HD1 TYR 10 1HD TYR 10 -4.653 2.348 5.707 84 HD2 TYR 10 2HD TYR 10 -6.048 2.523 9.748 85 HE1 TYR 10 1HE TYR 10 -6.394 0.570 5.190 86 HE2 TYR 10 2HE TYR 10 -7.786 0.743 9.217 87 HH TYR 10 HH TYR 10 -7.802 -1.237 7.292 88 H LYS 11 H LYS 11 -5.217 6.728 6.400 89 HA LYS 11 HA LYS 11 -7.733 5.473 5.618 90 1HB LYS 11 1HB LYS 11 -7.445 8.090 6.933 91 2HB LYS 11 2HB LYS 11 -8.333 8.157 5.425 92 1HG LYS 11 1HG LYS 11 -9.610 6.042 6.363 93 2HG LYS 11 2HG LYS 11 -8.967 6.542 7.915 94 1HD LYS 11 1HD LYS 11 -11.174 7.543 7.648 95 2HD LYS 11 2HD LYS 11 -9.980 8.824 7.571 96 1HE LYS 11 1HE LYS 11 -10.805 9.434 5.550 97 2HE LYS 11 2HE LYS 11 -10.267 7.902 4.891 98 1HZ LYS 11 1HZ LYS 11 -12.738 8.515 4.830 99 2HZ LYS 11 2HZ LYS 11 -12.319 6.979 5.193 100 3HZ LYS 11 3HZ LYS 11 -12.766 8.007 6.381 101 H CYS 12 H CYS 12 -8.533 6.932 3.544 102 HA CYS 12 HA CYS 12 -7.011 6.267 1.477 103 1HB CYS 12 1HB CYS 12 -8.099 8.043 0.175 104 2HB CYS 12 2HB CYS 12 -9.237 7.222 1.223 105 HG CYS 12 HG CYS 12 -8.338 9.162 3.214 106 H GLY 13 H GLY 13 -5.131 6.999 0.430 107 1HA GLY 13 1HA GLY 13 -3.461 8.510 -0.088 108 2HA GLY 13 2HA GLY 13 -3.965 9.551 1.227 109 H ASP 14 H ASP 14 -4.056 6.598 2.677 110 HA ASP 14 HA ASP 14 -1.486 7.045 3.850 111 1HB ASP 14 1HB ASP 14 -3.221 6.514 5.408 112 2HB ASP 14 2HB ASP 14 -3.839 5.212 4.412 113 H LEU 15 H LEU 15 0.350 5.783 3.393 114 HA LEU 15 HA LEU 15 -0.068 3.538 1.557 115 1HB LEU 15 1HB LEU 15 1.267 5.330 0.655 116 2HB LEU 15 2HB LEU 15 2.322 5.313 2.053 117 HG LEU 15 HG LEU 15 3.248 4.247 -0.025 118 1HD1 LEU 15 1HD1 LEU 15 3.431 3.433 2.680 119 2HD1 LEU 15 2HD1 LEU 15 3.440 1.956 1.688 120 3HD1 LEU 15 3HD1 LEU 15 4.632 3.240 1.382 121 1HD2 LEU 15 1HD2 LEU 15 1.046 2.256 0.530 122 2HD2 LEU 15 2HD2 LEU 15 1.399 3.136 -0.976 123 3HD2 LEU 15 3HD2 LEU 15 2.498 1.853 -0.416 124 H VAL 16 H VAL 16 0.421 1.479 2.175 125 HA VAL 16 HA VAL 16 2.176 1.094 4.447 126 HB VAL 16 HB VAL 16 0.360 -0.512 5.376 127 1HG1 VAL 16 1HG1 VAL 16 -0.549 1.317 6.796 128 2HG1 VAL 16 2HG1 VAL 16 1.222 1.383 6.621 129 3HG1 VAL 16 3HG1 VAL 16 0.192 2.503 5.697 130 1HG2 VAL 16 1HG2 VAL 16 -1.103 0.186 3.262 131 2HG2 VAL 16 2HG2 VAL 16 -1.844 -0.202 4.833 132 3HG2 VAL 16 3HG2 VAL 16 -1.608 1.496 4.357 133 H PHE 17 H PHE 17 2.134 -1.531 4.834 134 HA PHE 17 HA PHE 17 2.816 -2.549 2.206 135 1HB PHE 17 1HB PHE 17 3.685 -2.793 4.960 136 2HB PHE 17 2HB PHE 17 3.125 -4.382 4.476 137 HD1 PHE 17 1HD PHE 17 3.926 -4.513 1.658 138 HD2 PHE 17 2HD PHE 17 5.999 -2.915 4.999 139 HE1 PHE 17 1HE PHE 17 6.113 -4.932 0.502 140 HE2 PHE 17 2HE PHE 17 8.187 -3.335 3.842 141 HZ PHE 17 HZ PHE 17 8.217 -4.338 1.608 142 H ALA 18 H ALA 18 1.550 -3.942 1.064 143 HA ALA 18 HA ALA 18 -0.526 -5.374 2.574 144 1HB ALA 18 1HB ALA 18 -1.287 -4.878 -0.173 145 2HB ALA 18 2HB ALA 18 -2.114 -4.389 1.327 146 3HB ALA 18 3HB ALA 18 -0.861 -3.341 0.618 147 H LYS 19 H LYS 19 -0.699 -7.557 2.140 148 HA LYS 19 HA LYS 19 1.005 -8.549 -0.039 149 1HB LYS 19 1HB LYS 19 1.825 -10.283 1.298 150 2HB LYS 19 2HB LYS 19 1.902 -8.872 2.333 151 1HG LYS 19 1HG LYS 19 -0.484 -10.771 2.343 152 2HG LYS 19 2HG LYS 19 0.910 -11.016 3.375 153 1HD LYS 19 1HD LYS 19 0.276 -8.304 3.769 154 2HD LYS 19 2HD LYS 19 -1.293 -9.075 3.642 155 1HE LYS 19 1HE LYS 19 -0.777 -10.622 5.448 156 2HE LYS 19 2HE LYS 19 0.913 -10.160 5.450 157 1HZ LYS 19 1HZ LYS 19 -0.088 -7.833 5.903 158 2HZ LYS 19 2HZ LYS 19 -1.378 -8.678 6.442 159 3HZ LYS 19 3HZ LYS 19 0.089 -8.901 7.127 160 H MET 20 H MET 20 0.231 -10.437 -1.154 161 HA MET 20 HA MET 20 -2.555 -11.043 -0.562 162 1HB MET 20 1HB MET 20 -2.075 -9.426 -2.591 163 2HB MET 20 2HB MET 20 -1.435 -10.844 -3.399 164 1HG MET 20 1HG MET 20 -3.521 -11.659 -3.833 165 2HG MET 20 2HG MET 20 -4.041 -11.429 -2.175 166 1HE MET 20 1HE MET 20 -3.719 -10.476 -5.541 167 2HE MET 20 2HE MET 20 -5.393 -9.891 -5.689 168 3HE MET 20 3HE MET 20 -4.040 -8.735 -5.718 169 H LYS 21 H LYS 21 -3.287 -13.162 -1.580 170 HA LYS 21 HA LYS 21 -1.515 -15.191 -0.908 171 1HB LYS 21 1HB LYS 21 -4.202 -14.978 -1.462 172 2HB LYS 21 2HB LYS 21 -3.625 -15.900 -2.835 173 1HG LYS 21 1HG LYS 21 -2.833 -16.626 0.014 174 2HG LYS 21 2HG LYS 21 -4.318 -17.222 -0.704 175 1HD LYS 21 1HD LYS 21 -2.361 -17.710 -2.680 176 2HD LYS 21 2HD LYS 21 -1.545 -18.087 -1.174 177 1HE LYS 21 1HE LYS 21 -2.650 -20.112 -1.958 178 2HE LYS 21 2HE LYS 21 -3.492 -19.560 -0.524 179 1HZ LYS 21 1HZ LYS 21 -5.065 -18.442 -2.037 180 2HZ LYS 21 2HZ LYS 21 -4.331 -19.158 -3.308 181 3HZ LYS 21 3HZ LYS 21 -5.074 -20.069 -2.175 182 H GLY 22 H GLY 22 0.233 -16.018 -1.916 183 1HA GLY 22 1HA GLY 22 1.415 -16.866 -3.698 184 2HA GLY 22 2HA GLY 22 0.296 -16.121 -4.823 185 H TYR 23 H TYR 23 0.558 -13.505 -3.106 186 HA TYR 23 HA TYR 23 3.080 -12.664 -4.360 187 1HB TYR 23 1HB TYR 23 0.553 -11.788 -4.843 188 2HB TYR 23 2HB TYR 23 0.815 -10.873 -3.371 189 HD1 TYR 23 1HD TYR 23 2.383 -11.521 -6.712 190 HD2 TYR 23 2HD TYR 23 1.836 -8.772 -3.480 191 HE1 TYR 23 1HE TYR 23 3.575 -9.712 -8.041 192 HE2 TYR 23 2HE TYR 23 3.029 -6.971 -4.820 193 HH TYR 23 HH TYR 23 4.342 -6.610 -6.575 194 HA PRO 24 HA PRO 24 4.455 -11.894 -0.305 195 1HB PRO 24 1HB PRO 24 6.859 -10.746 -0.915 196 2HB PRO 24 2HB PRO 24 6.614 -12.479 -0.850 197 1HG PRO 24 1HG PRO 24 6.891 -10.733 -3.220 198 2HG PRO 24 2HG PRO 24 7.072 -12.473 -3.110 199 1HD PRO 24 1HD PRO 24 4.822 -11.044 -4.172 200 2HD PRO 24 2HD PRO 24 4.956 -12.779 -3.957 201 H HIS 25 H HIS 25 4.815 -10.239 1.272 202 HA HIS 25 HA HIS 25 3.166 -8.150 1.051 203 1HB HIS 25 1HB HIS 25 5.287 -8.957 2.780 204 2HB HIS 25 2HB HIS 25 5.472 -7.239 2.487 205 HD1 HIS 25 1HD HIS 25 3.358 -5.690 3.120 206 HD2 HIS 25 2HD HIS 25 3.222 -9.650 4.499 207 HE1 HIS 25 1HE HIS 25 1.563 -5.755 4.933 208 H TRP 26 H TRP 26 2.951 -6.508 -0.376 209 HA TRP 26 HA TRP 26 5.436 -5.401 -1.497 210 1HB TRP 26 1HB TRP 26 3.391 -6.749 -2.877 211 2HB TRP 26 2HB TRP 26 3.152 -5.049 -3.225 212 HD1 TRP 26 HD TRP 26 4.497 -4.280 -5.320 213 HE1 TRP 26 1HE TRP 26 6.697 -4.939 -6.618 214 HE3 TRP 26 3HE TRP 26 5.901 -7.979 -2.126 215 HZ2 TRP 26 2HZ TRP 26 8.731 -6.889 -6.175 216 HZ3 TRP 26 3HZ TRP 26 8.008 -9.213 -2.632 217 HH2 TRP 26 HH TRP 26 9.405 -8.720 -4.575 218 HA PRO 27 HA PRO 27 3.825 -1.615 -0.112 219 1HB PRO 27 1HB PRO 27 4.919 0.178 -1.859 220 2HB PRO 27 2HB PRO 27 5.806 -0.516 -0.518 221 1HG PRO 27 1HG PRO 27 6.006 -1.150 -3.399 222 2HG PRO 27 2HG PRO 27 7.146 -1.503 -2.115 223 1HD PRO 27 1HD PRO 27 5.334 -3.348 -3.357 224 2HD PRO 27 2HD PRO 27 6.391 -3.671 -1.996 225 H ALA 28 H ALA 28 1.641 -1.549 -0.137 226 HA ALA 28 HA ALA 28 0.559 -0.575 -2.692 227 1HB ALA 28 1HB ALA 28 -0.958 -2.244 -2.697 228 2HB ALA 28 2HB ALA 28 0.051 -3.026 -1.455 229 3HB ALA 28 3HB ALA 28 -1.329 -2.011 -0.973 230 H ARG 29 H ARG 29 -1.067 1.044 -2.561 231 HA ARG 29 HA ARG 29 -0.957 2.447 -0.046 232 1HB ARG 29 1HB ARG 29 -0.733 3.368 -2.600 233 2HB ARG 29 2HB ARG 29 -2.465 3.551 -2.408 234 1HG ARG 29 1HG ARG 29 -2.251 5.132 -0.676 235 2HG ARG 29 2HG ARG 29 -0.666 4.556 -0.198 236 1HD ARG 29 1HD ARG 29 0.439 5.760 -1.871 237 2HD ARG 29 2HD ARG 29 -0.925 5.703 -2.971 238 HE ARG 29 HE ARG 29 -1.517 7.260 -0.578 239 1HH1 ARG 29 2HH2 ARG 29 0.007 7.387 -3.748 240 2HH1 ARG 29 1HH2 ARG 29 -0.175 9.103 -3.907 241 1HH2 ARG 29 2HH1 ARG 29 -1.757 9.523 -0.788 242 2HH2 ARG 29 1HH1 ARG 29 -1.184 10.325 -2.213 243 H ILE 30 H ILE 30 -3.054 3.477 0.787 244 HA ILE 30 HA ILE 30 -5.129 1.465 0.718 245 HB ILE 30 HB ILE 30 -4.064 2.978 2.700 246 1HG1 ILE 30 1HG1 ILE 30 -5.311 0.920 3.006 247 2HG1 ILE 30 2HG1 ILE 30 -5.919 2.162 4.081 248 1HG2 ILE 30 1HG2 ILE 30 -6.628 4.345 1.845 249 2HG2 ILE 30 2HG2 ILE 30 -5.863 4.538 3.441 250 3HG2 ILE 30 3HG2 ILE 30 -5.004 5.062 1.973 251 1HD1 ILE 30 1HD1 ILE 30 -7.959 1.514 3.256 252 2HD1 ILE 30 2HD1 ILE 30 -7.532 2.588 1.901 253 3HD1 ILE 30 3HD1 ILE 30 -7.250 0.836 1.770 254 H ASP 31 H ASP 31 -7.320 1.861 0.110 255 HA ASP 31 HA ASP 31 -7.917 4.395 -1.062 256 1HB ASP 31 1HB ASP 31 -7.391 1.917 -2.680 257 2HB ASP 31 2HB ASP 31 -8.779 2.877 -3.155 258 H GLU 32 H GLU 32 -10.285 4.585 -1.430 259 HA GLU 32 HA GLU 32 -11.716 2.577 0.086 260 1HB GLU 32 1HB GLU 32 -11.942 5.473 -0.293 261 2HB GLU 32 2HB GLU 32 -13.482 4.683 -0.564 262 1HG GLU 32 1HG GLU 32 -12.554 3.371 1.711 263 2HG GLU 32 2HG GLU 32 -11.937 4.994 1.951 264 H MET 33 H MET 33 -13.786 1.708 -0.712 265 HA MET 33 HA MET 33 -13.588 1.089 -3.465 266 1HB MET 33 1HB MET 33 -15.683 -0.245 -2.962 267 2HB MET 33 2HB MET 33 -14.395 -0.570 -1.819 268 1HG MET 33 1HG MET 33 -15.778 1.639 -0.708 269 2HG MET 33 2HG MET 33 -17.044 0.604 -1.339 270 1HE MET 33 1HE MET 33 -16.124 0.137 2.647 271 2HE MET 33 2HE MET 33 -14.971 1.213 1.823 272 3HE MET 33 3HE MET 33 -16.718 1.381 1.520 273 HA PRO 34 HA PRO 34 -16.111 4.456 -4.714 274 1HB PRO 34 1HB PRO 34 -15.828 4.114 -7.412 275 2HB PRO 34 2HB PRO 34 -14.687 5.015 -6.434 276 1HG PRO 34 1HG PRO 34 -14.406 2.309 -7.589 277 2HG PRO 34 2HG PRO 34 -13.157 3.380 -6.988 278 1HD PRO 34 1HD PRO 34 -14.231 1.080 -5.654 279 2HD PRO 34 2HD PRO 34 -13.066 2.218 -5.007 280 H GLU 35 H GLU 35 -18.030 4.881 -6.218 281 HA GLU 35 HA GLU 35 -19.458 2.414 -6.657 282 1HB GLU 35 1HB GLU 35 -21.500 3.328 -5.483 283 2HB GLU 35 2HB GLU 35 -20.176 2.927 -4.407 284 1HG GLU 35 1HG GLU 35 -19.483 5.308 -4.322 285 2HG GLU 35 2HG GLU 35 -20.736 5.736 -5.469 286 H ALA 36 H ALA 36 -18.213 4.288 -8.463 287 HA ALA 36 HA ALA 36 -20.529 5.716 -9.558 288 1HB ALA 36 1HB ALA 36 -17.605 6.014 -10.328 289 2HB ALA 36 2HB ALA 36 -18.949 7.134 -10.658 290 3HB ALA 36 3HB ALA 36 -18.350 6.929 -8.994 291 H ALA 37 H ALA 37 -17.578 3.974 -10.790 292 HA ALA 37 HA ALA 37 -18.746 3.355 -13.252 293 1HB ALA 37 1HB ALA 37 -16.581 2.868 -13.590 294 2HB ALA 37 2HB ALA 37 -16.267 2.945 -11.839 295 3HB ALA 37 3HB ALA 37 -16.771 1.411 -12.586 296 H VAL 38 H VAL 38 -18.369 1.432 -10.200 297 HA VAL 38 HA VAL 38 -20.655 -0.159 -11.087 298 HB VAL 38 HB VAL 38 -19.504 -2.201 -10.302 299 1HG1 VAL 38 1HG1 VAL 38 -18.865 -0.660 -12.711 300 2HG1 VAL 38 2HG1 VAL 38 -17.617 -1.860 -12.300 301 3HG1 VAL 38 3HG1 VAL 38 -19.305 -2.375 -12.529 302 1HG2 VAL 38 1HG2 VAL 38 -17.844 -1.063 -8.835 303 2HG2 VAL 38 2HG2 VAL 38 -17.108 -2.241 -9.949 304 3HG2 VAL 38 3HG2 VAL 38 -16.991 -0.498 -10.291 305 H LYS 39 H LYS 39 -21.229 -1.703 -9.046 306 HA LYS 39 HA LYS 39 -21.363 0.166 -6.799 307 1HB LYS 39 1HB LYS 39 -23.092 -2.226 -7.496 308 2HB LYS 39 2HB LYS 39 -23.297 -1.210 -6.084 309 1HG LYS 39 1HG LYS 39 -24.322 0.437 -7.282 310 2HG LYS 39 2HG LYS 39 -23.102 0.397 -8.539 311 1HD LYS 39 1HD LYS 39 -24.701 -2.036 -8.666 312 2HD LYS 39 2HD LYS 39 -25.762 -0.641 -8.658 313 1HE LYS 39 1HE LYS 39 -24.796 0.269 -10.637 314 2HE LYS 39 2HE LYS 39 -23.329 -0.673 -10.471 315 1HZ LYS 39 1HZ LYS 39 -25.986 -1.658 -11.224 316 2HZ LYS 39 2HZ LYS 39 -24.622 -1.680 -12.121 317 3HZ LYS 39 3HZ LYS 39 -24.760 -2.660 -10.821 318 H SER 40 H SER 40 -19.735 -0.121 -5.367 319 HA SER 40 HA SER 40 -18.370 -2.555 -5.179 320 1HB SER 40 1HB SER 40 -18.423 -0.053 -3.452 321 2HB SER 40 2HB SER 40 -17.404 -1.422 -3.056 322 HG SER 40 HG SER 40 -16.898 0.561 -4.809 323 H THR 41 H THR 41 -18.020 -3.442 -2.703 324 HA THR 41 HA THR 41 -20.736 -3.930 -1.665 325 HB THR 41 HB THR 41 -19.805 -6.193 -1.046 326 HG1 THR 41 1HG THR 41 -17.582 -5.974 -1.003 327 1HG2 THR 41 1HG2 THR 41 -20.868 -6.282 -3.200 328 2HG2 THR 41 2HG2 THR 41 -19.601 -5.281 -3.950 329 3HG2 THR 41 3HG2 THR 41 -19.247 -6.961 -3.480 330 H ALA 42 H ALA 42 -20.207 -5.124 0.716 331 HA ALA 42 HA ALA 42 -18.900 -2.924 2.144 332 1HB ALA 42 1HB ALA 42 -20.505 -3.162 3.755 333 2HB ALA 42 2HB ALA 42 -21.422 -3.889 2.415 334 3HB ALA 42 3HB ALA 42 -20.571 -4.931 3.579 335 H ASN 43 H ASN 43 -18.144 -3.921 4.489 336 HA ASN 43 HA ASN 43 -16.384 -4.877 5.369 337 1HB ASN 43 1HB ASN 43 -16.482 -7.438 5.342 338 2HB ASN 43 2HB ASN 43 -17.975 -6.655 5.823 339 1HD2 ASN 43 1HD2 ASN 43 -19.753 -6.667 4.494 340 2HD2 ASN 43 2HD2 ASN 43 -19.910 -7.688 3.105 341 H LYS 44 H LYS 44 -15.278 -3.714 3.281 342 HA LYS 44 HA LYS 44 -13.215 -5.412 2.444 343 1HB LYS 44 1HB LYS 44 -13.655 -5.717 0.123 344 2HB LYS 44 2HB LYS 44 -15.044 -6.325 1.000 345 1HG LYS 44 1HG LYS 44 -16.424 -4.537 0.349 346 2HG LYS 44 2HG LYS 44 -15.078 -3.437 0.121 347 1HD LYS 44 1HD LYS 44 -15.544 -5.863 -1.670 348 2HD LYS 44 2HD LYS 44 -16.211 -4.282 -2.025 349 1HE LYS 44 1HE LYS 44 -13.233 -4.854 -1.640 350 2HE LYS 44 2HE LYS 44 -14.025 -4.720 -3.198 351 1HZ LYS 44 1HZ LYS 44 -13.655 -2.569 -3.024 352 2HZ LYS 44 2HZ LYS 44 -14.764 -2.488 -1.829 353 3HZ LYS 44 3HZ LYS 44 -13.182 -2.669 -1.464 354 H TYR 45 H TYR 45 -11.512 -4.210 1.455 355 HA TYR 45 HA TYR 45 -12.078 -1.333 1.226 356 1HB TYR 45 1HB TYR 45 -10.415 -2.887 3.063 357 2HB TYR 45 2HB TYR 45 -9.343 -1.966 2.027 358 HD1 TYR 45 1HD TYR 45 -12.705 -0.772 3.022 359 HD2 TYR 45 2HD TYR 45 -8.497 -0.511 3.743 360 HE1 TYR 45 1HE TYR 45 -13.073 1.289 4.464 361 HE2 TYR 45 2HE TYR 45 -8.878 1.550 5.183 362 HH TYR 45 HH TYR 45 -10.762 3.393 5.221 363 H GLN 46 H GLN 46 -10.699 -0.159 -0.260 364 HA GLN 46 HA GLN 46 -9.787 -1.908 -2.367 365 1HB GLN 46 1HB GLN 46 -11.310 -0.069 -2.968 366 2HB GLN 46 2HB GLN 46 -10.215 1.109 -2.272 367 1HG GLN 46 1HG GLN 46 -8.549 0.732 -3.962 368 2HG GLN 46 2HG GLN 46 -9.295 -0.765 -4.482 369 1HE2 GLN 46 1HE2 GLN 46 -8.918 2.460 -5.116 370 2HE2 GLN 46 2HE2 GLN 46 -10.245 2.742 -6.192 371 H VAL 47 H VAL 47 -7.641 -2.205 -2.908 372 HA VAL 47 HA VAL 47 -5.714 -0.446 -1.559 373 HB VAL 47 HB VAL 47 -6.003 -3.394 -1.539 374 1HG1 VAL 47 1HG1 VAL 47 -3.426 -2.014 -2.183 375 2HG1 VAL 47 2HG1 VAL 47 -3.389 -3.383 -1.046 376 3HG1 VAL 47 3HG1 VAL 47 -4.030 -3.609 -2.692 377 1HG2 VAL 47 1HG2 VAL 47 -5.061 -3.166 0.681 378 2HG2 VAL 47 2HG2 VAL 47 -4.619 -1.472 0.360 379 3HG2 VAL 47 3HG2 VAL 47 -6.334 -1.942 0.457 380 H PHE 48 H PHE 48 -3.958 0.228 -2.803 381 HA PHE 48 HA PHE 48 -4.077 -0.639 -5.607 382 1HB PHE 48 1HB PHE 48 -4.174 1.933 -4.250 383 2HB PHE 48 2HB PHE 48 -2.653 1.866 -5.115 384 HD1 PHE 48 1HD PHE 48 -6.317 1.700 -5.507 385 HD2 PHE 48 2HD PHE 48 -2.580 2.036 -7.489 386 HE1 PHE 48 1HE PHE 48 -7.500 2.317 -7.633 387 HE2 PHE 48 2HE PHE 48 -3.763 2.652 -9.616 388 HZ PHE 48 HZ PHE 48 -6.209 2.785 -9.662 389 H PHE 49 H PHE 49 -2.430 -2.044 -6.013 390 HA PHE 49 HA PHE 49 -0.036 -1.926 -4.438 391 1HB PHE 49 1HB PHE 49 -1.276 -3.586 -6.667 392 2HB PHE 49 2HB PHE 49 0.451 -3.745 -6.411 393 HD1 PHE 49 1HD PHE 49 0.731 -5.857 -5.486 394 HD2 PHE 49 2HD PHE 49 -2.274 -3.310 -3.905 395 HE1 PHE 49 1HE PHE 49 0.305 -7.504 -3.642 396 HE2 PHE 49 2HE PHE 49 -2.699 -4.958 -2.060 397 HZ PHE 49 HZ PHE 49 -1.405 -7.035 -1.951 398 H PHE 50 H PHE 50 1.825 -0.856 -4.931 399 HA PHE 50 HA PHE 50 1.896 0.707 -7.316 400 1HB PHE 50 1HB PHE 50 3.528 0.182 -4.816 401 2HB PHE 50 2HB PHE 50 4.393 0.884 -6.168 402 HD1 PHE 50 1HD PHE 50 3.674 3.102 -7.068 403 HD2 PHE 50 2HD PHE 50 2.034 1.487 -3.503 404 HE1 PHE 50 1HE PHE 50 2.842 5.379 -6.420 405 HE2 PHE 50 2HE PHE 50 1.203 3.763 -2.855 406 HZ PHE 50 HZ PHE 50 1.616 5.683 -4.320 407 H GLY 51 H GLY 51 4.076 -1.865 -5.937 408 1HA GLY 51 1HA GLY 51 5.873 -2.216 -7.883 409 2HA GLY 51 2HA GLY 51 5.145 -3.554 -7.015 410 H THR 52 H THR 52 2.617 -3.855 -7.898 411 HA THR 52 HA THR 52 3.021 -4.641 -10.649 412 HB THR 52 HB THR 52 0.713 -5.670 -10.223 413 HG1 THR 52 1HG THR 52 0.295 -3.915 -8.561 414 1HG2 THR 52 1HG2 THR 52 1.810 -7.457 -9.316 415 2HG2 THR 52 2HG2 THR 52 3.224 -6.409 -9.047 416 3HG2 THR 52 3HG2 THR 52 1.992 -6.586 -7.774 417 H HIS 53 H HIS 53 1.358 -2.088 -8.827 418 HA HIS 53 HA HIS 53 0.474 -0.202 -9.542 419 1HB HIS 53 1HB HIS 53 2.245 -0.683 -11.517 420 2HB HIS 53 2HB HIS 53 0.764 -0.758 -12.451 421 HD1 HIS 53 1HD HIS 53 1.870 1.631 -9.646 422 HD2 HIS 53 2HD HIS 53 0.438 1.693 -13.589 423 HE1 HIS 53 1HE HIS 53 1.614 4.090 -10.276 424 H GLU 54 H GLU 54 -1.069 -2.520 -8.963 425 HA GLU 54 HA GLU 54 -3.354 -1.919 -10.649 426 1HB GLU 54 1HB GLU 54 -2.254 -4.679 -10.011 427 2HB GLU 54 2HB GLU 54 -3.937 -4.449 -10.443 428 1HG GLU 54 1HG GLU 54 -2.326 -2.973 -12.335 429 2HG GLU 54 2HG GLU 54 -1.649 -4.582 -12.193 430 H THR 55 H THR 55 -5.456 -2.401 -9.580 431 HA THR 55 HA THR 55 -5.179 -2.114 -6.681 432 HB THR 55 HB THR 55 -7.625 -1.708 -8.475 433 HG1 THR 55 1HG THR 55 -5.357 -0.066 -7.612 434 1HG2 THR 55 1HG2 THR 55 -6.827 -0.375 -5.839 435 2HG2 THR 55 2HG2 THR 55 -8.386 -0.242 -6.688 436 3HG2 THR 55 3HG2 THR 55 -7.919 -1.778 -5.917 437 H ALA 56 H ALA 56 -6.464 -3.344 -5.202 438 HA ALA 56 HA ALA 56 -7.832 -5.654 -6.250 439 1HB ALA 56 1HB ALA 56 -6.424 -7.275 -5.071 440 2HB ALA 56 2HB ALA 56 -5.444 -6.357 -6.240 441 3HB ALA 56 3HB ALA 56 -5.355 -5.969 -4.505 442 H PHE 57 H PHE 57 -9.185 -6.656 -4.629 443 HA PHE 57 HA PHE 57 -9.985 -4.789 -2.628 444 1HB PHE 57 1HB PHE 57 -10.758 -7.729 -3.092 445 2HB PHE 57 2HB PHE 57 -11.730 -6.536 -2.255 446 HD1 PHE 57 1HD PHE 57 -11.945 -4.271 -3.888 447 HD2 PHE 57 2HD PHE 57 -11.638 -8.317 -5.128 448 HE1 PHE 57 1HE PHE 57 -13.095 -3.696 -6.043 449 HE2 PHE 57 2HE PHE 57 -12.790 -7.744 -7.284 450 HZ PHE 57 HZ PHE 57 -13.503 -5.441 -7.715 451 H LEU 58 H LEU 58 -8.838 -4.550 -0.761 452 HA LEU 58 HA LEU 58 -8.230 -6.984 0.716 453 1HB LEU 58 1HB LEU 58 -6.210 -4.885 -0.064 454 2HB LEU 58 2HB LEU 58 -5.977 -5.972 1.292 455 HG LEU 58 HG LEU 58 -6.377 -7.871 -0.444 456 1HD1 LEU 58 1HD1 LEU 58 -6.385 -5.494 -2.149 457 2HD1 LEU 58 2HD1 LEU 58 -5.205 -6.724 -2.662 458 3HD1 LEU 58 3HD1 LEU 58 -6.922 -7.157 -2.487 459 1HD2 LEU 58 1HD2 LEU 58 -4.035 -6.392 0.378 460 2HD2 LEU 58 2HD2 LEU 58 -4.241 -8.138 0.100 461 3HD2 LEU 58 3HD2 LEU 58 -3.813 -7.066 -1.254 462 H GLY 59 H GLY 59 -7.285 -6.155 3.016 463 1HA GLY 59 1HA GLY 59 -8.756 -3.741 3.825 464 2HA GLY 59 2HA GLY 59 -9.110 -5.265 4.615 465 HA PRO 60 HA PRO 60 -5.689 -3.518 6.964 466 1HB PRO 60 1HB PRO 60 -6.715 -3.997 9.450 467 2HB PRO 60 2HB PRO 60 -6.945 -2.486 8.595 468 1HG PRO 60 1HG PRO 60 -8.877 -4.681 9.029 469 2HG PRO 60 2HG PRO 60 -9.189 -3.020 8.564 470 1HD PRO 60 1HD PRO 60 -9.233 -5.319 6.849 471 2HD PRO 60 2HD PRO 60 -9.430 -3.647 6.367 472 H LYS 61 H LYS 61 -7.309 -6.549 7.048 473 HA LYS 61 HA LYS 61 -5.324 -7.840 8.611 474 1HB LYS 61 1HB LYS 61 -7.255 -9.172 6.707 475 2HB LYS 61 2HB LYS 61 -6.528 -9.834 8.158 476 1HG LYS 61 1HG LYS 61 -8.011 -7.331 8.681 477 2HG LYS 61 2HG LYS 61 -9.029 -8.579 7.994 478 1HD LYS 61 1HD LYS 61 -9.081 -9.687 9.970 479 2HD LYS 61 2HD LYS 61 -7.332 -9.804 9.989 480 1HE LYS 61 1HE LYS 61 -8.468 -7.120 10.690 481 2HE LYS 61 2HE LYS 61 -8.767 -8.401 11.847 482 1HZ LYS 61 1HZ LYS 61 -6.608 -7.052 11.967 483 2HZ LYS 61 2HZ LYS 61 -6.545 -8.664 12.225 484 3HZ LYS 61 3HZ LYS 61 -6.079 -8.049 10.785 485 H ASP 62 H ASP 62 -5.712 -6.971 5.207 486 HA ASP 62 HA ASP 62 -3.531 -8.729 4.503 487 1HB ASP 62 1HB ASP 62 -5.625 -7.159 3.031 488 2HB ASP 62 2HB ASP 62 -4.098 -7.377 2.200 489 H LEU 63 H LEU 63 -3.960 -5.694 5.854 490 HA LEU 63 HA LEU 63 -1.595 -4.609 4.487 491 1HB LEU 63 1HB LEU 63 -4.165 -3.376 5.304 492 2HB LEU 63 2HB LEU 63 -2.718 -2.425 5.578 493 HG LEU 63 HG LEU 63 -3.573 -3.584 2.910 494 1HD1 LEU 63 1HD1 LEU 63 -4.917 -1.835 2.700 495 2HD1 LEU 63 2HD1 LEU 63 -4.435 -1.231 4.303 496 3HD1 LEU 63 3HD1 LEU 63 -3.511 -0.754 2.858 497 1HD2 LEU 63 1HD2 LEU 63 -1.236 -1.815 3.671 498 2HD2 LEU 63 2HD2 LEU 63 -1.187 -3.448 2.964 499 3HD2 LEU 63 3HD2 LEU 63 -1.792 -2.079 2.001 500 H PHE 64 H PHE 64 0.076 -3.755 5.781 501 HA PHE 64 HA PHE 64 -0.299 -4.075 8.663 502 1HB PHE 64 1HB PHE 64 1.025 -5.911 7.071 503 2HB PHE 64 2HB PHE 64 2.338 -4.788 7.367 504 HD1 PHE 64 1HD PHE 64 -0.397 -6.264 9.454 505 HD2 PHE 64 2HD PHE 64 3.755 -5.494 9.028 506 HE1 PHE 64 1HE PHE 64 0.034 -7.352 11.675 507 HE2 PHE 64 2HE PHE 64 4.185 -6.582 11.248 508 HZ PHE 64 HZ PHE 64 2.320 -7.498 12.545 509 HA PRO 65 HA PRO 65 1.764 -0.261 8.717 510 1HB PRO 65 1HB PRO 65 2.452 -0.109 11.357 511 2HB PRO 65 2HB PRO 65 0.852 0.280 10.760 512 1HG PRO 65 1HG PRO 65 1.748 -2.127 12.223 513 2HG PRO 65 2HG PRO 65 0.118 -1.523 11.995 514 1HD PRO 65 1HD PRO 65 1.340 -3.725 10.623 515 2HD PRO 65 2HD PRO 65 -0.246 -3.048 10.315 516 H TYR 66 H TYR 66 3.829 0.903 9.197 517 HA TYR 66 HA TYR 66 5.936 -0.884 8.393 518 1HB TYR 66 1HB TYR 66 5.925 1.307 7.388 519 2HB TYR 66 2HB TYR 66 5.412 2.080 8.875 520 HD1 TYR 66 1HD TYR 66 7.029 2.747 10.574 521 HD2 TYR 66 2HD TYR 66 8.295 0.760 7.003 522 HE1 TYR 66 1HE TYR 66 9.437 3.403 11.054 523 HE2 TYR 66 2HE TYR 66 10.700 1.423 7.496 524 HH TYR 66 HH TYR 66 11.688 2.526 10.485 525 H GLU 67 H GLU 67 4.911 0.907 11.324 526 HA GLU 67 HA GLU 67 7.265 0.734 12.717 527 1HB GLU 67 1HB GLU 67 4.409 1.187 13.329 528 2HB GLU 67 2HB GLU 67 5.289 0.476 14.668 529 1HG GLU 67 1HG GLU 67 7.061 2.433 13.743 530 2HG GLU 67 2HG GLU 67 5.498 3.193 13.511 531 H GLU 68 H GLU 68 4.466 -1.574 12.613 532 HA GLU 68 HA GLU 68 5.691 -3.386 14.366 533 1HB GLU 68 1HB GLU 68 3.267 -3.315 12.627 534 2HB GLU 68 2HB GLU 68 3.878 -4.918 12.990 535 1HG GLU 68 1HG GLU 68 4.019 -3.876 15.487 536 2HG GLU 68 2HG GLU 68 2.753 -2.840 14.857 537 H SER 69 H SER 69 5.378 -3.205 10.762 538 HA SER 69 HA SER 69 6.600 -5.612 10.230 539 1HB SER 69 1HB SER 69 6.608 -4.918 7.995 540 2HB SER 69 2HB SER 69 5.350 -3.905 8.675 541 HG SER 69 HG SER 69 8.113 -3.136 8.250 542 H LYS 70 H LYS 70 7.988 -2.259 10.430 543 HA LYS 70 HA LYS 70 10.635 -3.122 9.954 544 1HB LYS 70 1HB LYS 70 11.238 -0.882 10.284 545 2HB LYS 70 2HB LYS 70 9.630 -0.806 9.591 546 1HG LYS 70 1HG LYS 70 9.339 0.656 11.372 547 2HG LYS 70 2HG LYS 70 8.865 -0.838 12.156 548 1HD LYS 70 1HD LYS 70 10.800 -0.954 13.438 549 2HD LYS 70 2HD LYS 70 11.793 -0.193 12.213 550 1HE LYS 70 1HE LYS 70 11.006 2.010 12.782 551 2HE LYS 70 2HE LYS 70 9.654 1.380 13.702 552 1HZ LYS 70 1HZ LYS 70 12.307 0.591 14.546 553 2HZ LYS 70 2HZ LYS 70 11.861 2.134 14.838 554 3HZ LYS 70 3HZ LYS 70 10.979 0.901 15.444 555 H GLU 71 H GLU 71 8.513 -3.472 12.625 556 HA GLU 71 HA GLU 71 10.406 -3.195 14.675 557 1HB GLU 71 1HB GLU 71 7.629 -3.630 14.473 558 2HB GLU 71 2HB GLU 71 8.229 -5.073 15.267 559 1HG GLU 71 1HG GLU 71 9.182 -2.349 16.198 560 2HG GLU 71 2HG GLU 71 7.609 -2.933 16.704 561 H LYS 72 H LYS 72 9.037 -6.059 12.916 562 HA LYS 72 HA LYS 72 11.164 -7.677 14.106 563 1HB LYS 72 1HB LYS 72 9.077 -8.670 14.525 564 2HB LYS 72 2HB LYS 72 8.469 -8.321 12.919 565 1HG LYS 72 1HG LYS 72 9.002 -10.650 12.880 566 2HG LYS 72 2HG LYS 72 10.310 -9.875 12.008 567 1HD LYS 72 1HD LYS 72 10.883 -9.980 14.885 568 2HD LYS 72 2HD LYS 72 10.542 -11.580 14.257 569 1HE LYS 72 1HE LYS 72 12.183 -10.634 12.269 570 2HE LYS 72 2HE LYS 72 12.821 -9.740 13.635 571 1HZ LYS 72 1HZ LYS 72 12.645 -12.637 13.307 572 2HZ LYS 72 2HZ LYS 72 13.958 -11.729 13.646 573 3HZ LYS 72 3HZ LYS 72 12.819 -11.976 14.791 574 H PHE 73 H PHE 73 9.428 -7.498 10.913 575 HA PHE 73 HA PHE 73 12.072 -7.539 9.655 576 1HB PHE 73 1HB PHE 73 9.648 -9.340 9.394 577 2HB PHE 73 2HB PHE 73 10.493 -8.959 7.907 578 HD1 PHE 73 1HD PHE 73 10.197 -11.410 10.215 579 HD2 PHE 73 2HD PHE 73 13.248 -9.081 8.408 580 HE1 PHE 73 1HE PHE 73 11.866 -13.218 10.705 581 HE2 PHE 73 2HE PHE 73 14.918 -10.890 8.897 582 HZ PHE 73 HZ PHE 73 14.208 -12.937 10.039 583 H GLY 74 H GLY 74 8.807 -7.761 8.170 584 1HA GLY 74 1HA GLY 74 7.613 -6.283 6.952 585 2HA GLY 74 2HA GLY 74 8.554 -4.976 7.643 586 H LYS 75 H LYS 75 10.608 -7.406 6.333 587 HA LYS 75 HA LYS 75 10.881 -5.824 3.872 588 1HB LYS 75 1HB LYS 75 13.076 -7.394 5.239 589 2HB LYS 75 2HB LYS 75 13.233 -6.251 3.922 590 1HG LYS 75 1HG LYS 75 12.831 -4.379 5.309 591 2HG LYS 75 2HG LYS 75 11.984 -5.324 6.519 592 1HD LYS 75 1HD LYS 75 14.053 -6.341 7.299 593 2HD LYS 75 2HD LYS 75 14.956 -5.698 5.941 594 1HE LYS 75 1HE LYS 75 15.472 -3.920 7.259 595 2HE LYS 75 2HE LYS 75 13.807 -3.405 7.081 596 1HZ LYS 75 1HZ LYS 75 13.285 -4.168 9.114 597 2HZ LYS 75 2HZ LYS 75 14.320 -5.430 9.071 598 3HZ LYS 75 3HZ LYS 75 14.874 -3.930 9.402 599 HA PRO 76 HA PRO 76 9.562 -9.790 2.384 600 1HB PRO 76 1HB PRO 76 8.296 -8.867 0.145 601 2HB PRO 76 2HB PRO 76 7.489 -9.071 1.686 602 1HG PRO 76 1HG PRO 76 8.376 -6.575 0.374 603 2HG PRO 76 2HG PRO 76 7.218 -6.781 1.672 604 1HD PRO 76 1HD PRO 76 9.923 -5.858 1.916 605 2HD PRO 76 2HD PRO 76 8.801 -6.173 3.226 606 H ASN 77 H ASN 77 9.759 -10.922 0.148 607 HA ASN 77 HA ASN 77 12.380 -11.085 -0.394 608 1HB ASN 77 1HB ASN 77 10.286 -11.352 -2.599 609 2HB ASN 77 2HB ASN 77 11.757 -12.284 -2.407 610 1HD2 ASN 77 1HD2 ASN 77 8.571 -11.621 -1.077 611 2HD2 ASN 77 2HD2 ASN 77 8.346 -13.119 -0.238 612 H LYS 78 H LYS 78 13.862 -9.972 -1.767 613 HA LYS 78 HA LYS 78 12.903 -7.428 -2.789 614 1HB LYS 78 1HB LYS 78 14.938 -7.635 -1.314 615 2HB LYS 78 2HB LYS 78 15.742 -8.475 -2.623 616 1HG LYS 78 1HG LYS 78 16.364 -6.421 -3.380 617 2HG LYS 78 2HG LYS 78 14.706 -6.232 -3.917 618 1HD LYS 78 1HD LYS 78 14.398 -4.550 -2.432 619 2HD LYS 78 2HD LYS 78 14.747 -5.638 -1.105 620 1HE LYS 78 1HE LYS 78 16.338 -3.811 -0.973 621 2HE LYS 78 2HE LYS 78 17.224 -5.232 -1.492 622 1HZ LYS 78 1HZ LYS 78 16.252 -3.987 -3.758 623 2HZ LYS 78 2HZ LYS 78 16.917 -2.817 -2.832 624 3HZ LYS 78 3HZ LYS 78 17.806 -4.114 -3.276 625 H ARG 79 H ARG 79 11.713 -7.966 -4.643 626 HA ARG 79 HA ARG 79 13.161 -9.503 -6.623 627 1HB ARG 79 1HB ARG 79 10.233 -8.658 -6.392 628 2HB ARG 79 2HB ARG 79 10.874 -9.437 -7.825 629 1HG ARG 79 1HG ARG 79 11.347 -10.713 -5.120 630 2HG ARG 79 2HG ARG 79 9.778 -10.887 -5.882 631 1HD ARG 79 1HD ARG 79 10.586 -12.265 -7.558 632 2HD ARG 79 2HD ARG 79 12.113 -11.413 -7.673 633 HE ARG 79 HE ARG 79 12.240 -12.634 -5.183 634 1HH1 ARG 79 2HH2 ARG 79 11.663 -13.778 -8.459 635 2HH1 ARG 79 1HH2 ARG 79 12.338 -15.346 -8.167 636 1HH2 ARG 79 2HH1 ARG 79 13.131 -14.703 -4.797 637 2HH2 ARG 79 1HH1 ARG 79 13.179 -15.876 -6.070 638 H LYS 80 H LYS 80 12.151 -8.585 -9.025 639 HA LYS 80 HA LYS 80 13.560 -6.161 -9.362 640 1HB LYS 80 1HB LYS 80 12.951 -8.219 -10.983 641 2HB LYS 80 2HB LYS 80 11.666 -7.123 -11.454 642 1HG LYS 80 1HG LYS 80 14.327 -5.816 -11.199 643 2HG LYS 80 2HG LYS 80 14.262 -7.053 -12.437 644 1HD LYS 80 1HD LYS 80 12.172 -4.842 -12.215 645 2HD LYS 80 2HD LYS 80 13.625 -4.674 -13.181 646 1HE LYS 80 1HE LYS 80 12.067 -7.187 -13.643 647 2HE LYS 80 2HE LYS 80 11.265 -5.708 -14.134 648 1HZ LYS 80 1HZ LYS 80 13.944 -5.641 -14.938 649 2HZ LYS 80 2HZ LYS 80 13.262 -7.028 -15.466 650 3HZ LYS 80 3HZ LYS 80 12.599 -5.590 -15.862 651 H GLY 81 H GLY 81 10.072 -7.055 -9.175 652 1HA GLY 81 1HA GLY 81 9.147 -4.405 -9.701 653 2HA GLY 81 2HA GLY 81 8.220 -5.762 -9.097 654 H PHE 82 H PHE 82 10.689 -5.873 -6.991 655 HA PHE 82 HA PHE 82 9.210 -4.432 -4.999 656 1HB PHE 82 1HB PHE 82 10.304 -6.670 -4.629 657 2HB PHE 82 2HB PHE 82 11.862 -5.992 -5.059 658 HD1 PHE 82 1HD PHE 82 12.533 -3.859 -3.576 659 HD2 PHE 82 2HD PHE 82 9.841 -6.915 -2.388 660 HE1 PHE 82 1HE PHE 82 12.950 -3.290 -1.167 661 HE2 PHE 82 2HE PHE 82 10.258 -6.346 0.022 662 HZ PHE 82 HZ PHE 82 11.807 -4.540 0.603 663 H SER 83 H SER 83 12.475 -4.234 -6.559 664 HA SER 83 HA SER 83 13.302 -2.066 -5.021 665 1HB SER 83 1HB SER 83 14.455 -3.762 -6.892 666 2HB SER 83 2HB SER 83 14.421 -2.241 -7.761 667 HG SER 83 HG SER 83 15.796 -2.918 -5.343 668 H GLU 84 H GLU 84 12.059 -2.279 -8.436 669 HA GLU 84 HA GLU 84 11.989 0.509 -8.730 670 1HB GLU 84 1HB GLU 84 11.241 0.076 -10.891 671 2HB GLU 84 2HB GLU 84 12.017 -1.448 -10.510 672 1HG GLU 84 1HG GLU 84 9.781 -2.364 -9.774 673 2HG GLU 84 2HG GLU 84 9.030 -0.855 -10.251 674 H GLY 85 H GLY 85 9.813 -1.881 -7.331 675 1HA GLY 85 1HA GLY 85 7.392 -0.417 -7.574 676 2HA GLY 85 2HA GLY 85 7.729 -1.747 -6.485 677 H LEU 86 H LEU 86 9.635 -0.974 -4.756 678 HA LEU 86 HA LEU 86 8.312 0.781 -3.053 679 1HB LEU 86 1HB LEU 86 9.662 -0.586 -1.888 680 2HB LEU 86 2HB LEU 86 10.886 -0.651 -3.141 681 HG LEU 86 HG LEU 86 11.612 0.390 -0.979 682 1HD1 LEU 86 1HD1 LEU 86 11.879 2.498 -3.085 683 2HD1 LEU 86 2HD1 LEU 86 13.107 1.778 -2.016 684 3HD1 LEU 86 3HD1 LEU 86 12.503 0.865 -3.419 685 1HD2 LEU 86 1HD2 LEU 86 10.565 3.029 -1.470 686 2HD2 LEU 86 2HD2 LEU 86 9.232 1.868 -1.269 687 3HD2 LEU 86 3HD2 LEU 86 10.472 2.024 -0.003 688 H TRP 87 H TRP 87 10.647 1.310 -5.669 689 HA TRP 87 HA TRP 87 11.175 4.018 -4.839 690 1HB TRP 87 1HB TRP 87 12.404 2.101 -6.518 691 2HB TRP 87 2HB TRP 87 11.956 3.450 -7.542 692 HD1 TRP 87 HD TRP 87 13.111 5.888 -6.893 693 HE1 TRP 87 1HE TRP 87 15.361 6.555 -5.683 694 HE3 TRP 87 3HE TRP 87 13.902 1.357 -4.726 695 HZ2 TRP 87 2HZ TRP 87 17.175 5.144 -3.993 696 HZ3 TRP 87 3HZ TRP 87 15.937 1.084 -3.311 697 HH2 TRP 87 HH TRP 87 17.545 2.886 -2.931 698 H GLU 88 H GLU 88 8.810 2.202 -6.668 699 HA GLU 88 HA GLU 88 8.078 4.313 -8.390 700 1HB GLU 88 1HB GLU 88 7.234 1.550 -7.836 701 2HB GLU 88 2HB GLU 88 5.867 2.594 -8.173 702 1HG GLU 88 1HG GLU 88 7.698 3.390 -10.116 703 2HG GLU 88 2HG GLU 88 8.032 1.675 -9.984 704 H ILE 89 H ILE 89 7.408 3.453 -5.056 705 HA ILE 89 HA ILE 89 5.097 5.239 -5.004 706 HB ILE 89 HB ILE 89 4.553 3.246 -3.971 707 1HG1 ILE 89 1HG1 ILE 89 4.298 5.437 -2.572 708 2HG1 ILE 89 2HG1 ILE 89 3.943 3.881 -1.847 709 1HG2 ILE 89 1HG2 ILE 89 6.039 2.169 -2.226 710 2HG2 ILE 89 2HG2 ILE 89 6.621 2.098 -3.907 711 3HG2 ILE 89 3HG2 ILE 89 7.327 3.271 -2.770 712 1HD1 ILE 89 1HD1 ILE 89 5.572 5.682 -0.668 713 2HD1 ILE 89 2HD1 ILE 89 5.801 3.928 -0.470 714 3HD1 ILE 89 3HD1 ILE 89 6.784 4.827 -1.652 715 H GLU 90 H GLU 90 8.363 4.712 -3.558 716 HA GLU 90 HA GLU 90 8.187 7.089 -2.041 717 1HB GLU 90 1HB GLU 90 10.246 4.985 -2.586 718 2HB GLU 90 2HB GLU 90 10.856 6.547 -2.078 719 1HG GLU 90 1HG GLU 90 8.568 5.834 -0.428 720 2HG GLU 90 2HG GLU 90 9.706 4.501 -0.441 721 H ASN 91 H ASN 91 9.209 6.213 -5.312 722 HA ASN 91 HA ASN 91 9.877 9.013 -5.712 723 1HB ASN 91 1HB ASN 91 11.318 6.720 -7.128 724 2HB ASN 91 2HB ASN 91 11.755 8.419 -7.153 725 1HD2 ASN 91 1HD2 ASN 91 10.977 5.937 -4.709 726 2HD2 ASN 91 2HD2 ASN 91 12.321 6.237 -3.659 727 H ASN 92 H ASN 92 7.372 8.501 -6.276 728 HA ASN 92 HA ASN 92 6.791 7.000 -8.519 729 1HB ASN 92 1HB ASN 92 4.712 8.605 -8.588 730 2HB ASN 92 2HB ASN 92 4.930 7.603 -7.166 731 1HD2 ASN 92 1HD2 ASN 92 3.533 9.257 -6.224 732 2HD2 ASN 92 2HD2 ASN 92 4.235 10.687 -5.546 733 HA PRO 93 HA PRO 93 8.054 9.762 -11.686 734 1HB PRO 93 1HB PRO 93 6.594 8.837 -13.803 735 2HB PRO 93 2HB PRO 93 8.079 8.081 -13.258 736 1HG PRO 93 1HG PRO 93 5.289 7.174 -12.881 737 2HG PRO 93 2HG PRO 93 6.773 6.254 -12.732 738 1HD PRO 93 1HD PRO 93 5.159 7.267 -10.588 739 2HD PRO 93 2HD PRO 93 6.702 6.448 -10.443 740 H THR 94 H THR 94 4.650 9.406 -11.086 741 HA THR 94 HA THR 94 4.377 12.243 -11.821 742 HB THR 94 HB THR 94 3.428 10.644 -13.564 743 HG1 THR 94 1HG THR 94 1.380 11.858 -13.482 744 1HG2 THR 94 1HG2 THR 94 1.182 10.130 -11.598 745 2HG2 THR 94 2HG2 THR 94 1.608 9.231 -13.074 746 3HG2 THR 94 3HG2 THR 94 2.581 9.030 -11.598 747 H VAL 95 H VAL 95 4.573 13.020 -9.729 748 HA VAL 95 HA VAL 95 2.994 11.811 -7.650 749 HB VAL 95 HB VAL 95 5.339 12.910 -7.533 750 1HG1 VAL 95 1HG1 VAL 95 4.061 15.424 -6.681 751 2HG1 VAL 95 2HG1 VAL 95 5.564 15.151 -7.595 752 3HG1 VAL 95 3HG1 VAL 95 3.994 15.129 -8.435 753 1HG2 VAL 95 1HG2 VAL 95 5.047 12.627 -5.338 754 2HG2 VAL 95 2HG2 VAL 95 3.948 14.023 -5.245 755 3HG2 VAL 95 3HG2 VAL 95 3.309 12.415 -5.656 756 H LYS 96 H LYS 96 1.967 13.890 -6.193 757 HA LYS 96 HA LYS 96 0.661 15.883 -7.584 758 1HB LYS 96 1HB LYS 96 -1.660 14.917 -7.677 759 2HB LYS 96 2HB LYS 96 -0.541 14.299 -8.875 760 1HG LYS 96 1HG LYS 96 -0.531 12.179 -7.976 761 2HG LYS 96 2HG LYS 96 -0.560 12.764 -6.324 762 1HD LYS 96 1HD LYS 96 -3.012 13.392 -6.676 763 2HD LYS 96 2HD LYS 96 -2.937 12.589 -8.231 764 1HE LYS 96 1HE LYS 96 -2.341 10.448 -7.143 765 2HE LYS 96 2HE LYS 96 -2.272 11.228 -5.576 766 1HZ LYS 96 1HZ LYS 96 -4.376 10.430 -5.586 767 2HZ LYS 96 2HZ LYS 96 -4.677 11.907 -6.217 768 3HZ LYS 96 3HZ LYS 96 -4.595 10.603 -7.195 769 H ALA 97 H ALA 97 0.620 13.434 -4.974 770 HA ALA 97 HA ALA 97 -1.068 14.553 -3.180 771 1HB ALA 97 1HB ALA 97 0.939 13.717 -1.550 772 2HB ALA 97 2HB ALA 97 -0.185 12.608 -2.374 773 3HB ALA 97 3HB ALA 97 1.423 12.927 -3.069 774 H SER 98 H SER 98 -1.268 16.534 -2.271 775 HA SER 98 HA SER 98 0.229 18.647 -2.804 776 1HB SER 98 1HB SER 98 -0.885 19.757 -1.058 777 2HB SER 98 2HB SER 98 -1.941 18.396 -1.373 778 HG SER 98 HG SER 98 -0.418 17.340 0.391 779 H GLY 99 H GLY 99 2.098 19.714 -1.986 780 1HA GLY 99 1HA GLY 99 3.597 19.752 0.039 781 2HA GLY 99 2HA GLY 99 3.784 18.030 -0.235 782 H TYR 100 H TYR 100 4.580 17.343 -2.481 783 HA TYR 100 HA TYR 100 6.412 17.364 -3.781 784 1HB TYR 100 1HB TYR 100 5.396 18.414 -5.587 785 2HB TYR 100 2HB TYR 100 4.358 19.294 -4.482 786 HD1 TYR 100 1HD TYR 100 4.337 21.583 -4.801 787 HD2 TYR 100 2HD TYR 100 7.976 19.447 -5.509 788 HE1 TYR 100 1HE TYR 100 5.491 23.753 -5.453 789 HE2 TYR 100 2HE TYR 100 9.118 21.624 -6.159 790 HH TYR 100 HH TYR 100 7.275 24.628 -6.386 Start of MODEL 4 1 H MET 1 H MET 1 14.218 14.177 8.948 2 HA MET 1 HA MET 1 13.125 14.033 11.642 3 1HB MET 1 1HB MET 1 12.733 16.116 9.584 4 2HB MET 1 2HB MET 1 11.204 15.387 10.035 5 1HG MET 1 1HG MET 1 11.569 17.251 11.541 6 2HG MET 1 2HG MET 1 11.802 15.787 12.478 7 1HE MET 1 1HE MET 1 15.070 15.143 13.133 8 2HE MET 1 2HE MET 1 14.491 16.355 14.301 9 3HE MET 1 3HE MET 1 13.356 15.168 13.613 10 H SER 2 H SER 2 11.024 12.930 11.784 11 HA SER 2 HA SER 2 10.365 11.467 9.357 12 1HB SER 2 1HB SER 2 11.362 10.389 11.899 13 2HB SER 2 2HB SER 2 9.801 9.708 11.488 14 HG SER 2 HG SER 2 12.295 9.335 10.267 15 H ARG 3 H ARG 3 8.089 10.710 9.296 16 HA ARG 3 HA ARG 3 6.452 12.471 10.901 17 1HB ARG 3 1HB ARG 3 4.677 11.998 9.221 18 2HB ARG 3 2HB ARG 3 6.141 12.561 8.440 19 1HG ARG 3 1HG ARG 3 6.495 9.770 8.575 20 2HG ARG 3 2HG ARG 3 4.790 9.953 8.213 21 1HD ARG 3 1HD ARG 3 5.551 11.657 6.378 22 2HD ARG 3 2HD ARG 3 7.158 11.001 6.614 23 HE ARG 3 HE ARG 3 6.501 9.048 5.505 24 1HH1 ARG 3 2HH2 ARG 3 3.632 10.822 6.508 25 2HH1 ARG 3 1HH2 ARG 3 2.537 9.783 5.658 26 1HH2 ARG 3 2HH1 ARG 3 5.056 7.678 4.384 27 2HH2 ARG 3 1HH1 ARG 3 3.352 7.983 4.442 28 H SER 4 H SER 4 4.601 11.652 12.097 29 HA SER 4 HA SER 4 4.964 8.882 12.831 30 1HB SER 4 1HB SER 4 3.317 11.120 14.087 31 2HB SER 4 2HB SER 4 3.393 9.489 14.721 32 HG SER 4 HG SER 4 5.923 10.581 14.254 33 H ASN 5 H ASN 5 3.336 7.292 12.579 34 HA ASN 5 HA ASN 5 1.166 8.147 10.850 35 1HB ASN 5 1HB ASN 5 0.964 5.589 10.464 36 2HB ASN 5 2HB ASN 5 2.402 6.358 9.824 37 1HD2 ASN 5 1HD2 ASN 5 1.076 4.470 12.475 38 2HD2 ASN 5 2HD2 ASN 5 2.555 3.756 13.024 39 H ARG 6 H ARG 6 -0.800 6.315 11.220 40 HA ARG 6 HA ARG 6 -1.606 6.834 13.903 41 1HB ARG 6 1HB ARG 6 -3.792 6.003 13.186 42 2HB ARG 6 2HB ARG 6 -3.160 7.032 11.915 43 1HG ARG 6 1HG ARG 6 -2.261 4.274 11.530 44 2HG ARG 6 2HG ARG 6 -4.006 4.329 11.676 45 1HD ARG 6 1HD ARG 6 -4.008 4.903 9.465 46 2HD ARG 6 2HD ARG 6 -3.527 6.498 10.009 47 HE ARG 6 HE ARG 6 -1.306 4.588 9.645 48 1HH1 ARG 6 2HH2 ARG 6 -3.244 7.150 8.207 49 2HH1 ARG 6 1HH2 ARG 6 -2.061 7.545 7.007 50 1HH2 ARG 6 2HH1 ARG 6 0.256 5.111 8.062 51 2HH2 ARG 6 1HH1 ARG 6 -0.056 6.378 6.924 52 H GLN 7 H GLN 7 -3.086 4.727 14.779 53 HA GLN 7 HA GLN 7 -1.118 2.579 14.864 54 1HB GLN 7 1HB GLN 7 -2.429 1.995 17.046 55 2HB GLN 7 2HB GLN 7 -1.324 3.356 17.071 56 1HG GLN 7 1HG GLN 7 -4.255 3.759 16.376 57 2HG GLN 7 2HG GLN 7 -3.741 3.674 18.050 58 1HE2 GLN 7 1HE2 GLN 7 -4.456 5.719 15.643 59 2HE2 GLN 7 2HE2 GLN 7 -3.498 7.104 16.049 60 H LYS 8 H LYS 8 -4.617 3.386 14.591 61 HA LYS 8 HA LYS 8 -4.986 0.835 13.235 62 1HB LYS 8 1HB LYS 8 -7.143 0.518 14.517 63 2HB LYS 8 2HB LYS 8 -5.664 0.206 15.405 64 1HG LYS 8 1HG LYS 8 -6.534 3.032 15.576 65 2HG LYS 8 2HG LYS 8 -7.723 1.914 16.216 66 1HD LYS 8 1HD LYS 8 -4.924 1.316 17.038 67 2HD LYS 8 2HD LYS 8 -5.526 2.859 17.613 68 1HE LYS 8 1HE LYS 8 -7.018 1.887 19.061 69 2HE LYS 8 2HE LYS 8 -7.492 0.656 17.907 70 1HZ LYS 8 1HZ LYS 8 -4.849 0.530 19.123 71 2HZ LYS 8 2HZ LYS 8 -6.146 0.008 19.966 72 3HZ LYS 8 3HZ LYS 8 -5.769 -0.684 18.534 73 H GLU 9 H GLU 9 -6.104 4.128 14.104 74 HA GLU 9 HA GLU 9 -8.188 4.164 12.245 75 1HB GLU 9 1HB GLU 9 -8.117 6.645 12.605 76 2HB GLU 9 2HB GLU 9 -8.150 5.734 14.101 77 1HG GLU 9 1HG GLU 9 -5.562 5.899 14.088 78 2HG GLU 9 2HG GLU 9 -5.744 7.080 12.806 79 H TYR 10 H TYR 10 -7.787 3.734 10.098 80 HA TYR 10 HA TYR 10 -5.868 5.495 8.775 81 1HB TYR 10 1HB TYR 10 -4.741 3.604 7.815 82 2HB TYR 10 2HB TYR 10 -5.054 3.042 9.446 83 HD1 TYR 10 1HD TYR 10 -7.469 1.855 9.721 84 HD2 TYR 10 2HD TYR 10 -5.254 2.163 6.073 85 HE1 TYR 10 1HE TYR 10 -8.719 -0.150 8.782 86 HE2 TYR 10 2HE TYR 10 -6.513 0.157 5.147 87 HH TYR 10 HH TYR 10 -9.293 -1.102 6.710 88 H LYS 11 H LYS 11 -6.735 6.396 6.966 89 HA LYS 11 HA LYS 11 -8.944 4.943 5.698 90 1HB LYS 11 1HB LYS 11 -8.978 7.605 6.959 91 2HB LYS 11 2HB LYS 11 -9.606 7.586 5.324 92 1HG LYS 11 1HG LYS 11 -10.919 5.427 6.141 93 2HG LYS 11 2HG LYS 11 -10.595 6.055 7.744 94 1HD LYS 11 1HD LYS 11 -12.772 6.884 6.984 95 2HD LYS 11 2HD LYS 11 -11.658 8.230 7.105 96 1HE LYS 11 1HE LYS 11 -11.416 7.110 4.449 97 2HE LYS 11 2HE LYS 11 -13.120 7.333 4.789 98 1HZ LYS 11 1HZ LYS 11 -12.152 9.601 5.701 99 2HZ LYS 11 2HZ LYS 11 -11.047 9.308 4.536 100 3HZ LYS 11 3HZ LYS 11 -12.630 9.405 4.152 101 H CYS 12 H CYS 12 -9.415 6.333 3.478 102 HA CYS 12 HA CYS 12 -7.471 5.691 1.758 103 1HB CYS 12 1HB CYS 12 -9.629 6.374 0.962 104 2HB CYS 12 2HB CYS 12 -9.435 7.993 1.604 105 HG CYS 12 HG CYS 12 -7.736 6.457 -0.783 106 H GLY 13 H GLY 13 -5.578 6.685 0.888 107 1HA GLY 13 1HA GLY 13 -4.136 8.527 0.611 108 2HA GLY 13 2HA GLY 13 -4.756 9.245 2.084 109 H ASP 14 H ASP 14 -4.683 6.400 3.371 110 HA ASP 14 HA ASP 14 -2.113 6.752 4.474 111 1HB ASP 14 1HB ASP 14 -3.609 5.888 6.038 112 2HB ASP 14 2HB ASP 14 -4.446 4.904 4.854 113 H LEU 15 H LEU 15 -0.231 5.447 4.117 114 HA LEU 15 HA LEU 15 -0.492 3.508 1.925 115 1HB LEU 15 1HB LEU 15 0.773 5.358 1.179 116 2HB LEU 15 2HB LEU 15 1.711 5.422 2.656 117 HG LEU 15 HG LEU 15 2.815 3.306 2.076 118 1HD1 LEU 15 1HD1 LEU 15 0.708 2.632 0.624 119 2HD1 LEU 15 2HD1 LEU 15 1.679 3.345 -0.687 120 3HD1 LEU 15 3HD1 LEU 15 2.331 1.993 0.270 121 1HD2 LEU 15 1HD2 LEU 15 4.379 4.345 0.842 122 2HD2 LEU 15 2HD2 LEU 15 3.225 4.806 -0.432 123 3HD2 LEU 15 3HD2 LEU 15 3.339 5.773 1.059 124 H VAL 16 H VAL 16 0.453 1.461 2.156 125 HA VAL 16 HA VAL 16 2.111 0.862 4.382 126 HB VAL 16 HB VAL 16 0.386 -0.851 5.263 127 1HG1 VAL 16 1HG1 VAL 16 -0.023 0.539 7.047 128 2HG1 VAL 16 2HG1 VAL 16 1.294 1.438 6.258 129 3HG1 VAL 16 3HG1 VAL 16 -0.396 1.941 6.016 130 1HG2 VAL 16 1HG2 VAL 16 -1.865 0.878 4.915 131 2HG2 VAL 16 2HG2 VAL 16 -1.208 0.488 3.306 132 3HG2 VAL 16 3HG2 VAL 16 -1.676 -0.821 4.417 133 H PHE 17 H PHE 17 2.167 -1.773 4.504 134 HA PHE 17 HA PHE 17 2.656 -2.522 1.744 135 1HB PHE 17 1HB PHE 17 3.523 -3.249 4.528 136 2HB PHE 17 2HB PHE 17 3.417 -4.618 3.439 137 HD1 PHE 17 1HD PHE 17 5.071 -1.369 3.995 138 HD2 PHE 17 2HD PHE 17 5.035 -4.953 1.723 139 HE1 PHE 17 1HE PHE 17 7.332 -0.801 3.063 140 HE2 PHE 17 2HE PHE 17 7.296 -4.386 0.790 141 HZ PHE 17 HZ PHE 17 8.417 -2.316 1.472 142 H ALA 18 H ALA 18 1.211 -3.713 0.599 143 HA ALA 18 HA ALA 18 -0.964 -4.971 2.043 144 1HB ALA 18 1HB ALA 18 -1.863 -5.303 -0.263 145 2HB ALA 18 2HB ALA 18 -1.471 -3.602 0.085 146 3HB ALA 18 3HB ALA 18 -0.376 -4.580 -0.920 147 H LYS 19 H LYS 19 -1.471 -7.224 1.902 148 HA LYS 19 HA LYS 19 0.624 -8.897 0.744 149 1HB LYS 19 1HB LYS 19 1.117 -8.517 3.176 150 2HB LYS 19 2HB LYS 19 -0.415 -9.271 3.567 151 1HG LYS 19 1HG LYS 19 0.767 -11.225 3.591 152 2HG LYS 19 2HG LYS 19 0.660 -11.144 1.843 153 1HD LYS 19 1HD LYS 19 2.828 -9.656 2.005 154 2HD LYS 19 2HD LYS 19 2.971 -10.304 3.628 155 1HE LYS 19 1HE LYS 19 2.692 -12.048 1.134 156 2HE LYS 19 2HE LYS 19 4.233 -11.617 1.846 157 1HZ LYS 19 1HZ LYS 19 2.361 -12.658 3.726 158 2HZ LYS 19 2HZ LYS 19 2.761 -13.725 2.557 159 3HZ LYS 19 3HZ LYS 19 3.925 -13.057 3.485 160 H MET 20 H MET 20 -0.320 -10.273 -0.653 161 HA MET 20 HA MET 20 -2.943 -11.281 0.099 162 1HB MET 20 1HB MET 20 -2.762 -9.346 -1.771 163 2HB MET 20 2HB MET 20 -2.286 -10.678 -2.805 164 1HG MET 20 1HG MET 20 -4.384 -11.736 -2.654 165 2HG MET 20 2HG MET 20 -4.752 -11.026 -1.094 166 1HE MET 20 1HE MET 20 -6.094 -11.222 -4.270 167 2HE MET 20 2HE MET 20 -6.170 -9.626 -5.053 168 3HE MET 20 3HE MET 20 -4.623 -10.499 -4.962 169 H LYS 21 H LYS 21 -3.550 -13.273 -1.306 170 HA LYS 21 HA LYS 21 -1.580 -15.191 -1.021 171 1HB LYS 21 1HB LYS 21 -4.306 -15.016 -2.042 172 2HB LYS 21 2HB LYS 21 -3.347 -16.165 -2.954 173 1HG LYS 21 1HG LYS 21 -3.157 -16.205 0.063 174 2HG LYS 21 2HG LYS 21 -4.585 -16.884 -0.692 175 1HD LYS 21 1HD LYS 21 -3.286 -18.498 -1.937 176 2HD LYS 21 2HD LYS 21 -1.782 -17.674 -1.584 177 1HE LYS 21 1HE LYS 21 -1.598 -19.246 0.080 178 2HE LYS 21 2HE LYS 21 -2.639 -18.154 0.971 179 1HZ LYS 21 1HZ LYS 21 -3.202 -20.715 0.333 180 2HZ LYS 21 2HZ LYS 21 -4.278 -19.611 0.875 181 3HZ LYS 21 3HZ LYS 21 -4.113 -19.872 -0.729 182 H GLY 22 H GLY 22 0.022 -16.030 -2.322 183 1HA GLY 22 1HA GLY 22 1.465 -16.170 -4.038 184 2HA GLY 22 2HA GLY 22 0.159 -15.698 -5.106 185 H TYR 23 H TYR 23 0.470 -13.355 -2.645 186 HA TYR 23 HA TYR 23 2.321 -11.772 -4.295 187 1HB TYR 23 1HB TYR 23 -0.006 -11.021 -4.651 188 2HB TYR 23 2HB TYR 23 -0.372 -11.167 -2.944 189 HD1 TYR 23 1HD TYR 23 -0.850 -9.083 -2.049 190 HD2 TYR 23 2HD TYR 23 2.388 -9.439 -4.822 191 HE1 TYR 23 1HE TYR 23 -0.293 -6.624 -1.725 192 HE2 TYR 23 2HE TYR 23 2.935 -6.978 -4.490 193 HH TYR 23 HH TYR 23 1.664 -4.931 -3.805 194 HA PRO 24 HA PRO 24 4.188 -11.487 -0.332 195 1HB PRO 24 1HB PRO 24 6.570 -10.442 -1.170 196 2HB PRO 24 2HB PRO 24 6.242 -12.163 -1.124 197 1HG PRO 24 1HG PRO 24 6.356 -10.362 -3.464 198 2HG PRO 24 2HG PRO 24 6.454 -12.111 -3.420 199 1HD PRO 24 1HD PRO 24 4.184 -10.539 -4.195 200 2HD PRO 24 2HD PRO 24 4.247 -12.283 -4.038 201 H HIS 25 H HIS 25 4.860 -9.887 1.221 202 HA HIS 25 HA HIS 25 3.287 -7.688 1.174 203 1HB HIS 25 1HB HIS 25 5.438 -8.715 2.759 204 2HB HIS 25 2HB HIS 25 5.703 -6.997 2.536 205 HD1 HIS 25 1HD HIS 25 2.389 -6.569 2.410 206 HD2 HIS 25 2HD HIS 25 4.740 -8.190 5.482 207 HE1 HIS 25 1HE HIS 25 1.038 -6.307 4.558 208 H TRP 26 H TRP 26 3.146 -5.961 -0.157 209 HA TRP 26 HA TRP 26 5.656 -4.895 -1.235 210 1HB TRP 26 1HB TRP 26 3.684 -6.278 -2.734 211 2HB TRP 26 2HB TRP 26 3.548 -4.580 -3.149 212 HD1 TRP 26 HD TRP 26 5.282 -3.729 -4.925 213 HE1 TRP 26 1HE TRP 26 7.492 -4.590 -6.082 214 HE3 TRP 26 3HE TRP 26 5.815 -7.866 -2.019 215 HZ2 TRP 26 2HZ TRP 26 9.178 -6.853 -5.661 216 HZ3 TRP 26 3HZ TRP 26 7.770 -9.349 -2.458 217 HH2 TRP 26 HH TRP 26 9.419 -8.899 -4.206 218 HA PRO 27 HA PRO 27 3.844 -1.140 -0.024 219 1HB PRO 27 1HB PRO 27 4.963 0.661 -1.747 220 2HB PRO 27 2HB PRO 27 5.805 0.022 -0.350 221 1HG PRO 27 1HG PRO 27 6.174 -0.653 -3.204 222 2HG PRO 27 2HG PRO 27 7.259 -0.942 -1.858 223 1HD PRO 27 1HD PRO 27 5.579 -2.872 -3.156 224 2HD PRO 27 2HD PRO 27 6.575 -3.135 -1.738 225 H ALA 28 H ALA 28 1.664 -1.158 -0.162 226 HA ALA 28 HA ALA 28 0.682 -0.264 -2.787 227 1HB ALA 28 1HB ALA 28 0.239 -2.721 -1.958 228 2HB ALA 28 2HB ALA 28 -0.961 -1.945 -0.897 229 3HB ALA 28 3HB ALA 28 -1.093 -1.774 -2.664 230 H ARG 29 H ARG 29 -1.001 1.301 -2.767 231 HA ARG 29 HA ARG 29 -1.082 2.736 -0.270 232 1HB ARG 29 1HB ARG 29 -0.600 3.779 -2.624 233 2HB ARG 29 2HB ARG 29 -2.324 3.629 -2.907 234 1HG ARG 29 1HG ARG 29 -2.222 4.801 -0.369 235 2HG ARG 29 2HG ARG 29 -0.860 5.542 -1.185 236 1HD ARG 29 1HD ARG 29 -2.947 5.562 -3.109 237 2HD ARG 29 2HD ARG 29 -3.728 5.991 -1.600 238 HE ARG 29 HE ARG 29 -1.268 7.460 -1.836 239 1HH1 ARG 29 2HH2 ARG 29 -4.508 7.325 -3.202 240 2HH1 ARG 29 1HH2 ARG 29 -4.537 9.004 -3.629 241 1HH2 ARG 29 2HH1 ARG 29 -1.304 9.674 -2.400 242 2HH2 ARG 29 1HH1 ARG 29 -2.701 10.348 -3.171 243 H ILE 30 H ILE 30 -3.044 3.194 0.859 244 HA ILE 30 HA ILE 30 -5.133 1.310 0.419 245 HB ILE 30 HB ILE 30 -4.135 2.655 2.568 246 1HG1 ILE 30 1HG1 ILE 30 -5.395 0.485 2.451 247 2HG1 ILE 30 2HG1 ILE 30 -5.759 1.485 3.844 248 1HG2 ILE 30 1HG2 ILE 30 -6.891 3.826 2.184 249 2HG2 ILE 30 2HG2 ILE 30 -5.668 4.220 3.417 250 3HG2 ILE 30 3HG2 ILE 30 -5.409 4.696 1.721 251 1HD1 ILE 30 1HD1 ILE 30 -7.643 0.408 2.112 252 2HD1 ILE 30 2HD1 ILE 30 -7.932 1.774 3.218 253 3HD1 ILE 30 3HD1 ILE 30 -7.490 2.080 1.520 254 H ASP 31 H ASP 31 -7.232 1.641 -0.359 255 HA ASP 31 HA ASP 31 -7.830 4.311 -1.286 256 1HB ASP 31 1HB ASP 31 -7.486 1.850 -2.996 257 2HB ASP 31 2HB ASP 31 -8.772 2.960 -3.424 258 H GLU 32 H GLU 32 -10.178 4.635 -1.501 259 HA GLU 32 HA GLU 32 -11.660 2.581 -0.099 260 1HB GLU 32 1HB GLU 32 -11.645 5.055 0.613 261 2HB GLU 32 2HB GLU 32 -12.606 5.384 -0.814 262 1HG GLU 32 1HG GLU 32 -14.497 4.371 0.047 263 2HG GLU 32 2HG GLU 32 -13.588 3.120 0.869 264 H MET 33 H MET 33 -13.713 1.775 -0.908 265 HA MET 33 HA MET 33 -13.671 1.514 -3.735 266 1HB MET 33 1HB MET 33 -15.542 -0.054 -3.331 267 2HB MET 33 2HB MET 33 -14.303 -0.330 -2.121 268 1HG MET 33 1HG MET 33 -15.794 1.561 -0.816 269 2HG MET 33 2HG MET 33 -17.049 0.833 -1.800 270 1HE MET 33 1HE MET 33 -18.138 -1.882 -0.825 271 2HE MET 33 2HE MET 33 -17.137 -1.528 -2.254 272 3HE MET 33 3HE MET 33 -16.690 -2.861 -1.161 273 HA PRO 34 HA PRO 34 -16.389 4.906 -4.340 274 1HB PRO 34 1HB PRO 34 -16.315 4.927 -7.071 275 2HB PRO 34 2HB PRO 34 -15.124 5.738 -6.073 276 1HG PRO 34 1HG PRO 34 -14.860 3.216 -7.592 277 2HG PRO 34 2HG PRO 34 -13.597 4.249 -6.953 278 1HD PRO 34 1HD PRO 34 -14.494 1.755 -5.854 279 2HD PRO 34 2HD PRO 34 -13.315 2.846 -5.154 280 H GLU 35 H GLU 35 -18.410 5.437 -5.716 281 HA GLU 35 HA GLU 35 -19.966 2.985 -5.558 282 1HB GLU 35 1HB GLU 35 -21.942 4.612 -5.541 283 2HB GLU 35 2HB GLU 35 -20.902 4.655 -4.131 284 1HG GLU 35 1HG GLU 35 -19.795 6.668 -4.880 285 2HG GLU 35 2HG GLU 35 -20.464 6.528 -6.492 286 H ALA 36 H ALA 36 -18.171 3.644 -7.821 287 HA ALA 36 HA ALA 36 -20.184 4.100 -9.915 288 1HB ALA 36 1HB ALA 36 -17.426 4.255 -10.807 289 2HB ALA 36 2HB ALA 36 -18.702 5.494 -10.869 290 3HB ALA 36 3HB ALA 36 -17.690 5.331 -9.414 291 H ALA 37 H ALA 37 -17.012 2.379 -9.420 292 HA ALA 37 HA ALA 37 -17.550 0.464 -11.395 293 1HB ALA 37 1HB ALA 37 -15.306 1.157 -10.437 294 2HB ALA 37 2HB ALA 37 -15.707 0.199 -8.990 295 3HB ALA 37 3HB ALA 37 -15.553 -0.600 -10.573 296 H VAL 38 H VAL 38 -17.935 0.464 -7.795 297 HA VAL 38 HA VAL 38 -19.931 -1.628 -8.125 298 HB VAL 38 HB VAL 38 -18.957 -2.960 -6.329 299 1HG1 VAL 38 1HG1 VAL 38 -16.754 -2.610 -8.358 300 2HG1 VAL 38 2HG1 VAL 38 -17.410 -4.103 -7.645 301 3HG1 VAL 38 3HG1 VAL 38 -18.358 -3.204 -8.854 302 1HG2 VAL 38 1HG2 VAL 38 -16.684 -0.953 -6.456 303 2HG2 VAL 38 2HG2 VAL 38 -17.744 -1.310 -5.070 304 3HG2 VAL 38 3HG2 VAL 38 -16.581 -2.532 -5.639 305 H LYS 39 H LYS 39 -20.872 -2.037 -5.710 306 HA LYS 39 HA LYS 39 -21.986 0.440 -4.986 307 1HB LYS 39 1HB LYS 39 -22.037 -2.148 -3.411 308 2HB LYS 39 2HB LYS 39 -23.172 -0.818 -3.303 309 1HG LYS 39 1HG LYS 39 -24.412 -1.840 -4.902 310 2HG LYS 39 2HG LYS 39 -23.142 -1.464 -6.050 311 1HD LYS 39 1HD LYS 39 -23.729 -3.913 -5.989 312 2HD LYS 39 2HD LYS 39 -22.037 -3.602 -5.651 313 1HE LYS 39 1HE LYS 39 -22.213 -4.232 -3.422 314 2HE LYS 39 2HE LYS 39 -23.856 -3.641 -3.268 315 1HZ LYS 39 1HZ LYS 39 -23.653 -6.071 -3.260 316 2HZ LYS 39 2HZ LYS 39 -24.643 -5.527 -4.440 317 3HZ LYS 39 3HZ LYS 39 -23.135 -6.036 -4.807 318 H SER 40 H SER 40 -21.673 1.755 -3.141 319 HA SER 40 HA SER 40 -19.002 1.468 -2.068 320 1HB SER 40 1HB SER 40 -19.557 3.647 -3.032 321 2HB SER 40 2HB SER 40 -20.993 3.777 -2.035 322 HG SER 40 HG SER 40 -19.713 4.788 -0.650 323 H THR 41 H THR 41 -19.750 -0.416 -0.705 324 HA THR 41 HA THR 41 -21.185 0.546 1.683 325 HB THR 41 HB THR 41 -21.122 -2.256 0.441 326 HG1 THR 41 1HG THR 41 -22.361 -0.678 -0.783 327 1HG2 THR 41 1HG2 THR 41 -22.566 -1.005 2.820 328 2HG2 THR 41 2HG2 THR 41 -23.235 -2.414 1.963 329 3HG2 THR 41 3HG2 THR 41 -21.654 -2.532 2.771 330 H ALA 42 H ALA 42 -20.649 -1.017 3.636 331 HA ALA 42 HA ALA 42 -17.725 -1.006 3.767 332 1HB ALA 42 1HB ALA 42 -19.510 0.187 5.398 333 2HB ALA 42 2HB ALA 42 -19.435 -1.407 6.186 334 3HB ALA 42 3HB ALA 42 -17.950 -0.444 5.981 335 H ASN 43 H ASN 43 -16.593 -2.892 3.858 336 HA ASN 43 HA ASN 43 -17.320 -5.125 5.175 337 1HB ASN 43 1HB ASN 43 -17.964 -6.654 3.186 338 2HB ASN 43 2HB ASN 43 -19.215 -5.568 3.758 339 1HD2 ASN 43 1HD2 ASN 43 -20.104 -4.151 2.422 340 2HD2 ASN 43 2HD2 ASN 43 -19.593 -3.807 0.803 341 H LYS 44 H LYS 44 -15.905 -3.628 2.256 342 HA LYS 44 HA LYS 44 -13.438 -5.067 2.759 343 1HB LYS 44 1HB LYS 44 -13.196 -5.983 0.606 344 2HB LYS 44 2HB LYS 44 -14.817 -6.419 1.110 345 1HG LYS 44 1HG LYS 44 -15.663 -4.344 -0.136 346 2HG LYS 44 2HG LYS 44 -14.042 -4.146 -0.774 347 1HD LYS 44 1HD LYS 44 -14.256 -6.627 -1.572 348 2HD LYS 44 2HD LYS 44 -15.970 -6.449 -1.256 349 1HE LYS 44 1HE LYS 44 -16.213 -4.715 -2.897 350 2HE LYS 44 2HE LYS 44 -14.488 -4.423 -2.973 351 1HZ LYS 44 1HZ LYS 44 -15.850 -6.865 -3.881 352 2HZ LYS 44 2HZ LYS 44 -15.210 -5.706 -4.839 353 3HZ LYS 44 3HZ LYS 44 -14.233 -6.633 -3.916 354 H TYR 45 H TYR 45 -11.587 -3.896 2.107 355 HA TYR 45 HA TYR 45 -12.205 -1.124 1.374 356 1HB TYR 45 1HB TYR 45 -10.510 -2.549 3.276 357 2HB TYR 45 2HB TYR 45 -9.449 -1.708 2.163 358 HD1 TYR 45 1HD TYR 45 -12.790 -0.427 3.118 359 HD2 TYR 45 2HD TYR 45 -8.571 -0.149 3.772 360 HE1 TYR 45 1HE TYR 45 -13.128 1.729 4.422 361 HE2 TYR 45 2HE TYR 45 -8.924 2.006 5.075 362 HH TYR 45 HH TYR 45 -11.566 3.814 4.886 363 H GLN 46 H GLN 46 -10.867 -0.022 -0.201 364 HA GLN 46 HA GLN 46 -10.098 -1.819 -2.291 365 1HB GLN 46 1HB GLN 46 -11.032 0.895 -2.095 366 2HB GLN 46 2HB GLN 46 -9.485 0.929 -2.918 367 1HG GLN 46 1HG GLN 46 -10.992 -1.309 -3.953 368 2HG GLN 46 2HG GLN 46 -12.040 0.094 -3.958 369 1HE2 GLN 46 1HE2 GLN 46 -10.377 2.171 -4.385 370 2HE2 GLN 46 2HE2 GLN 46 -9.608 2.070 -5.935 371 H VAL 47 H VAL 47 -8.008 -2.301 -2.953 372 HA VAL 47 HA VAL 47 -5.863 -0.867 -1.548 373 HB VAL 47 HB VAL 47 -6.537 -3.331 -0.877 374 1HG1 VAL 47 1HG1 VAL 47 -6.162 -3.947 -3.410 375 2HG1 VAL 47 2HG1 VAL 47 -4.453 -4.030 -2.922 376 3HG1 VAL 47 3HG1 VAL 47 -5.658 -5.068 -2.122 377 1HG2 VAL 47 1HG2 VAL 47 -3.591 -2.954 -1.254 378 2HG2 VAL 47 2HG2 VAL 47 -4.481 -1.757 -0.283 379 3HG2 VAL 47 3HG2 VAL 47 -4.505 -3.475 0.182 380 H PHE 48 H PHE 48 -3.962 -0.458 -2.768 381 HA PHE 48 HA PHE 48 -4.100 -1.242 -5.579 382 1HB PHE 48 1HB PHE 48 -4.798 1.283 -4.588 383 2HB PHE 48 2HB PHE 48 -3.087 1.505 -4.899 384 HD1 PHE 48 1HD PHE 48 -5.726 2.650 -6.259 385 HD2 PHE 48 2HD PHE 48 -2.851 -0.282 -7.327 386 HE1 PHE 48 1HE PHE 48 -6.219 3.052 -8.687 387 HE2 PHE 48 2HE PHE 48 -3.343 0.120 -9.757 388 HZ PHE 48 HZ PHE 48 -5.022 1.783 -10.407 389 H PHE 49 H PHE 49 -2.259 -2.374 -5.971 390 HA PHE 49 HA PHE 49 0.050 -1.888 -4.316 391 1HB PHE 49 1HB PHE 49 -0.142 -3.686 -6.777 392 2HB PHE 49 2HB PHE 49 0.787 -3.966 -5.317 393 HD1 PHE 49 1HD PHE 49 -2.387 -4.440 -6.964 394 HD2 PHE 49 2HD PHE 49 -0.396 -4.658 -3.224 395 HE1 PHE 49 1HE PHE 49 -4.235 -5.880 -6.065 396 HE2 PHE 49 2HE PHE 49 -2.244 -6.098 -2.323 397 HZ PHE 49 HZ PHE 49 -4.141 -6.693 -3.756 398 H PHE 50 H PHE 50 1.850 -0.730 -4.879 399 HA PHE 50 HA PHE 50 1.758 0.718 -7.346 400 1HB PHE 50 1HB PHE 50 3.465 0.503 -4.837 401 2HB PHE 50 2HB PHE 50 4.174 1.303 -6.226 402 HD1 PHE 50 1HD PHE 50 2.547 1.913 -3.277 403 HD2 PHE 50 2HD PHE 50 2.367 3.032 -7.367 404 HE1 PHE 50 1HE PHE 50 1.385 4.045 -2.642 405 HE2 PHE 50 2HE PHE 50 1.205 5.166 -6.731 406 HZ PHE 50 HZ PHE 50 0.729 5.647 -4.376 407 H GLY 51 H GLY 51 4.226 -1.467 -5.794 408 1HA GLY 51 1HA GLY 51 6.047 -1.736 -7.736 409 2HA GLY 51 2HA GLY 51 5.509 -3.080 -6.746 410 H THR 52 H THR 52 3.055 -3.809 -7.549 411 HA THR 52 HA THR 52 3.537 -4.783 -10.217 412 HB THR 52 HB THR 52 1.622 -6.212 -9.704 413 HG1 THR 52 1HG THR 52 0.203 -4.639 -8.800 414 1HG2 THR 52 1HG2 THR 52 3.845 -6.188 -8.052 415 2HG2 THR 52 2HG2 THR 52 2.535 -5.917 -6.879 416 3HG2 THR 52 3HG2 THR 52 2.518 -7.366 -7.915 417 H HIS 53 H HIS 53 1.666 -2.212 -8.673 418 HA HIS 53 HA HIS 53 0.538 -0.544 -9.551 419 1HB HIS 53 1HB HIS 53 2.413 -0.800 -11.359 420 2HB HIS 53 2HB HIS 53 1.122 -1.430 -12.364 421 HD1 HIS 53 1HD HIS 53 1.698 0.795 -13.829 422 HD2 HIS 53 2HD HIS 53 -0.160 1.413 -10.119 423 HE1 HIS 53 1HE HIS 53 0.763 3.168 -13.884 424 H GLU 54 H GLU 54 -0.765 -2.925 -8.771 425 HA GLU 54 HA GLU 54 -2.939 -2.949 -10.716 426 1HB GLU 54 1HB GLU 54 -1.666 -5.218 -9.178 427 2HB GLU 54 2HB GLU 54 -3.357 -5.330 -9.619 428 1HG GLU 54 1HG GLU 54 -1.577 -4.429 -11.831 429 2HG GLU 54 2HG GLU 54 -1.244 -6.052 -11.258 430 H THR 55 H THR 55 -5.110 -3.624 -9.638 431 HA THR 55 HA THR 55 -5.198 -2.544 -6.898 432 HB THR 55 HB THR 55 -6.810 -1.891 -9.387 433 HG1 THR 55 1HG THR 55 -6.472 0.229 -8.123 434 1HG2 THR 55 1HG2 THR 55 -8.758 -1.813 -8.192 435 2HG2 THR 55 2HG2 THR 55 -7.917 -2.321 -6.708 436 3HG2 THR 55 3HG2 THR 55 -7.989 -0.597 -7.145 437 H ALA 56 H ALA 56 -6.582 -3.527 -5.430 438 HA ALA 56 HA ALA 56 -8.273 -5.670 -6.365 439 1HB ALA 56 1HB ALA 56 -7.175 -7.385 -4.995 440 2HB ALA 56 2HB ALA 56 -6.038 -6.739 -6.202 441 3HB ALA 56 3HB ALA 56 -5.926 -6.218 -4.503 442 H PHE 57 H PHE 57 -9.122 -6.817 -4.120 443 HA PHE 57 HA PHE 57 -9.903 -4.527 -2.468 444 1HB PHE 57 1HB PHE 57 -11.884 -6.015 -1.973 445 2HB PHE 57 2HB PHE 57 -11.707 -5.755 -3.697 446 HD1 PHE 57 1HD PHE 57 -10.721 -7.565 -5.117 447 HD2 PHE 57 2HD PHE 57 -11.707 -8.191 -1.037 448 HE1 PHE 57 1HE PHE 57 -10.670 -10.047 -5.486 449 HE2 PHE 57 2HE PHE 57 -11.656 -10.673 -1.406 450 HZ PHE 57 HZ PHE 57 -11.139 -11.571 -3.625 451 H LEU 58 H LEU 58 -8.896 -4.400 -0.523 452 HA LEU 58 HA LEU 58 -8.546 -6.877 0.965 453 1HB LEU 58 1HB LEU 58 -6.322 -4.933 0.337 454 2HB LEU 58 2HB LEU 58 -6.239 -6.137 1.607 455 HG LEU 58 HG LEU 58 -6.584 -6.725 -1.347 456 1HD1 LEU 58 1HD1 LEU 58 -4.153 -7.083 0.429 457 2HD1 LEU 58 2HD1 LEU 58 -4.288 -7.525 -1.291 458 3HD1 LEU 58 3HD1 LEU 58 -4.365 -5.816 -0.803 459 1HD2 LEU 58 1HD2 LEU 58 -5.709 -9.006 0.072 460 2HD2 LEU 58 2HD2 LEU 58 -7.091 -8.340 0.973 461 3HD2 LEU 58 3HD2 LEU 58 -7.267 -8.748 -0.751 462 H GLY 59 H GLY 59 -7.618 -6.138 3.302 463 1HA GLY 59 1HA GLY 59 -9.088 -3.690 4.065 464 2HA GLY 59 2HA GLY 59 -9.269 -5.195 4.942 465 HA PRO 60 HA PRO 60 -5.853 -3.061 6.964 466 1HB PRO 60 1HB PRO 60 -6.697 -3.433 9.536 467 2HB PRO 60 2HB PRO 60 -7.078 -2.000 8.601 468 1HG PRO 60 1HG PRO 60 -8.829 -4.279 9.296 469 2HG PRO 60 2HG PRO 60 -9.278 -2.676 8.747 470 1HD PRO 60 1HD PRO 60 -9.269 -5.084 7.188 471 2HD PRO 60 2HD PRO 60 -9.606 -3.464 6.612 472 H LYS 61 H LYS 61 -7.299 -6.160 7.495 473 HA LYS 61 HA LYS 61 -5.115 -7.208 8.948 474 1HB LYS 61 1HB LYS 61 -6.208 -9.417 8.263 475 2HB LYS 61 2HB LYS 61 -7.150 -8.316 9.247 476 1HG LYS 61 1HG LYS 61 -7.474 -7.792 6.357 477 2HG LYS 61 2HG LYS 61 -7.940 -9.424 6.794 478 1HD LYS 61 1HD LYS 61 -8.904 -7.162 8.545 479 2HD LYS 61 2HD LYS 61 -9.666 -7.373 6.980 480 1HE LYS 61 1HE LYS 61 -10.846 -9.174 7.711 481 2HE LYS 61 2HE LYS 61 -9.393 -9.964 8.295 482 1HZ LYS 61 1HZ LYS 61 -11.231 -9.179 9.919 483 2HZ LYS 61 2HZ LYS 61 -9.659 -9.083 10.348 484 3HZ LYS 61 3HZ LYS 61 -10.450 -7.747 9.840 485 H ASP 62 H ASP 62 -5.910 -6.845 5.486 486 HA ASP 62 HA ASP 62 -3.698 -8.499 4.747 487 1HB ASP 62 1HB ASP 62 -5.898 -7.005 3.352 488 2HB ASP 62 2HB ASP 62 -4.432 -7.260 2.427 489 H LEU 63 H LEU 63 -3.941 -5.476 6.066 490 HA LEU 63 HA LEU 63 -1.719 -4.432 4.452 491 1HB LEU 63 1HB LEU 63 -4.186 -3.108 5.486 492 2HB LEU 63 2HB LEU 63 -2.700 -2.180 5.441 493 HG LEU 63 HG LEU 63 -4.036 -3.526 3.077 494 1HD1 LEU 63 1HD1 LEU 63 -5.139 -1.632 2.692 495 2HD1 LEU 63 2HD1 LEU 63 -4.668 -1.122 4.331 496 3HD1 LEU 63 3HD1 LEU 63 -3.678 -0.643 2.932 497 1HD2 LEU 63 1HD2 LEU 63 -1.311 -2.794 3.431 498 2HD2 LEU 63 2HD2 LEU 63 -2.127 -3.384 1.962 499 3HD2 LEU 63 3HD2 LEU 63 -2.043 -1.637 2.295 500 H PHE 64 H PHE 64 0.160 -4.340 5.550 501 HA PHE 64 HA PHE 64 -0.043 -4.289 8.477 502 1HB PHE 64 1HB PHE 64 1.155 -6.112 6.737 503 2HB PHE 64 2HB PHE 64 2.496 -5.025 7.037 504 HD1 PHE 64 1HD PHE 64 -0.190 -6.613 9.104 505 HD2 PHE 64 2HD PHE 64 3.942 -5.751 8.664 506 HE1 PHE 64 1HE PHE 64 0.287 -7.799 11.264 507 HE2 PHE 64 2HE PHE 64 4.419 -6.938 10.823 508 HZ PHE 64 HZ PHE 64 2.586 -7.948 12.098 509 HA PRO 65 HA PRO 65 2.020 -0.473 8.306 510 1HB PRO 65 1HB PRO 65 2.714 -0.213 10.937 511 2HB PRO 65 2HB PRO 65 1.120 0.178 10.323 512 1HG PRO 65 1HG PRO 65 1.974 -2.176 11.895 513 2HG PRO 65 2HG PRO 65 0.355 -1.555 11.641 514 1HD PRO 65 1HD PRO 65 1.538 -3.838 10.369 515 2HD PRO 65 2HD PRO 65 -0.038 -3.148 10.031 516 H TYR 66 H TYR 66 4.118 0.678 8.859 517 HA TYR 66 HA TYR 66 6.189 -1.152 8.054 518 1HB TYR 66 1HB TYR 66 6.217 1.047 7.057 519 2HB TYR 66 2HB TYR 66 5.739 1.823 8.553 520 HD1 TYR 66 1HD TYR 66 8.572 0.410 6.663 521 HD2 TYR 66 2HD TYR 66 7.386 2.456 10.227 522 HE1 TYR 66 1HE TYR 66 10.997 1.000 7.139 523 HE2 TYR 66 2HE TYR 66 9.816 3.039 10.693 524 HH TYR 66 HH TYR 66 12.398 1.766 8.648 525 H GLU 67 H GLU 67 5.261 0.760 10.960 526 HA GLU 67 HA GLU 67 7.579 0.484 12.369 527 1HB GLU 67 1HB GLU 67 4.833 1.237 12.889 528 2HB GLU 67 2HB GLU 67 5.398 0.235 14.212 529 1HG GLU 67 1HG GLU 67 6.876 1.821 14.954 530 2HG GLU 67 2HG GLU 67 7.405 2.230 13.335 531 H GLU 68 H GLU 68 4.693 -1.720 12.301 532 HA GLU 68 HA GLU 68 5.806 -3.552 14.080 533 1HB GLU 68 1HB GLU 68 3.492 -3.494 12.176 534 2HB GLU 68 2HB GLU 68 4.031 -5.078 12.700 535 1HG GLU 68 1HG GLU 68 2.507 -4.568 14.396 536 2HG GLU 68 2HG GLU 68 3.996 -3.995 15.123 537 H SER 69 H SER 69 5.677 -3.409 10.465 538 HA SER 69 HA SER 69 6.823 -5.841 9.978 539 1HB SER 69 1HB SER 69 6.890 -5.146 7.784 540 2HB SER 69 2HB SER 69 5.855 -3.879 8.417 541 HG SER 69 HG SER 69 8.200 -3.572 7.179 542 H LYS 70 H LYS 70 8.387 -2.590 10.398 543 HA LYS 70 HA LYS 70 11.010 -3.635 10.117 544 1HB LYS 70 1HB LYS 70 11.717 -1.453 10.349 545 2HB LYS 70 2HB LYS 70 10.093 -1.228 9.729 546 1HG LYS 70 1HG LYS 70 9.710 0.094 11.538 547 2HG LYS 70 2HG LYS 70 9.678 -1.374 12.493 548 1HD LYS 70 1HD LYS 70 12.256 -1.153 12.655 549 2HD LYS 70 2HD LYS 70 12.060 0.461 11.998 550 1HE LYS 70 1HE LYS 70 10.275 -0.236 14.303 551 2HE LYS 70 2HE LYS 70 11.981 -0.098 14.675 552 1HZ LYS 70 1HZ LYS 70 10.766 1.979 13.054 553 2HZ LYS 70 2HZ LYS 70 10.450 1.971 14.656 554 3HZ LYS 70 3HZ LYS 70 11.992 2.087 14.128 555 H GLU 71 H GLU 71 8.651 -3.874 12.570 556 HA GLU 71 HA GLU 71 10.339 -3.658 14.797 557 1HB GLU 71 1HB GLU 71 7.718 -3.611 14.612 558 2HB GLU 71 2HB GLU 71 7.828 -5.356 14.727 559 1HG GLU 71 1HG GLU 71 7.629 -4.777 16.986 560 2HG GLU 71 2HG GLU 71 9.372 -4.866 16.823 561 H LYS 72 H LYS 72 9.084 -6.467 12.878 562 HA LYS 72 HA LYS 72 11.040 -8.147 14.267 563 1HB LYS 72 1HB LYS 72 8.888 -9.066 14.534 564 2HB LYS 72 2HB LYS 72 8.428 -8.731 12.878 565 1HG LYS 72 1HG LYS 72 8.892 -11.065 12.891 566 2HG LYS 72 2HG LYS 72 10.318 -10.349 12.168 567 1HD LYS 72 1HD LYS 72 10.642 -10.393 15.057 568 2HD LYS 72 2HD LYS 72 10.178 -11.991 14.509 569 1HE LYS 72 1HE LYS 72 12.014 -11.671 12.663 570 2HE LYS 72 2HE LYS 72 12.588 -10.346 13.656 571 1HZ LYS 72 1HZ LYS 72 13.142 -12.981 14.005 572 2HZ LYS 72 2HZ LYS 72 13.477 -11.777 15.056 573 3HZ LYS 72 3HZ LYS 72 12.100 -12.640 15.215 574 H PHE 73 H PHE 73 9.553 -7.949 10.953 575 HA PHE 73 HA PHE 73 12.280 -8.078 9.896 576 1HB PHE 73 1HB PHE 73 10.058 -10.000 9.756 577 2HB PHE 73 2HB PHE 73 10.410 -9.411 8.143 578 HD1 PHE 73 1HD PHE 73 12.681 -10.138 11.013 579 HD2 PHE 73 2HD PHE 73 11.544 -11.096 7.038 580 HE1 PHE 73 1HE PHE 73 14.606 -11.742 10.848 581 HE2 PHE 73 2HE PHE 73 13.468 -12.699 6.875 582 HZ PHE 73 HZ PHE 73 14.976 -13.002 8.781 583 H GLY 74 H GLY 74 8.961 -8.074 8.436 584 1HA GLY 74 1HA GLY 74 7.960 -6.638 7.027 585 2HA GLY 74 2HA GLY 74 8.874 -5.353 7.791 586 H LYS 75 H LYS 75 10.364 -8.178 6.154 587 HA LYS 75 HA LYS 75 11.124 -6.400 3.950 588 1HB LYS 75 1HB LYS 75 13.400 -7.268 4.018 589 2HB LYS 75 2HB LYS 75 12.991 -6.474 5.525 590 1HG LYS 75 1HG LYS 75 12.196 -9.095 6.026 591 2HG LYS 75 2HG LYS 75 13.601 -9.332 5.004 592 1HD LYS 75 1HD LYS 75 13.642 -7.463 7.413 593 2HD LYS 75 2HD LYS 75 14.029 -9.167 7.548 594 1HE LYS 75 1HE LYS 75 15.782 -8.811 5.702 595 2HE LYS 75 2HE LYS 75 15.486 -7.089 5.852 596 1HZ LYS 75 1HZ LYS 75 17.300 -8.220 7.256 597 2HZ LYS 75 2HZ LYS 75 16.383 -7.049 7.927 598 3HZ LYS 75 3HZ LYS 75 16.073 -8.618 8.254 599 HA PRO 76 HA PRO 76 9.344 -10.052 2.169 600 1HB PRO 76 1HB PRO 76 8.271 -8.829 -0.026 601 2HB PRO 76 2HB PRO 76 7.402 -9.027 1.482 602 1HG PRO 76 1HG PRO 76 8.638 -6.587 0.363 603 2HG PRO 76 2HG PRO 76 7.426 -6.725 1.621 604 1HD PRO 76 1HD PRO 76 10.218 -6.179 1.983 605 2HD PRO 76 2HD PRO 76 9.028 -6.432 3.243 606 H ASN 77 H ASN 77 9.476 -11.080 -0.107 607 HA ASN 77 HA ASN 77 12.081 -11.503 -0.612 608 1HB ASN 77 1HB ASN 77 10.003 -11.455 -2.848 609 2HB ASN 77 2HB ASN 77 11.373 -12.538 -2.688 610 1HD2 ASN 77 1HD2 ASN 77 8.233 -11.640 -1.402 611 2HD2 ASN 77 2HD2 ASN 77 7.856 -13.138 -0.619 612 H LYS 78 H LYS 78 13.651 -9.992 -1.194 613 HA LYS 78 HA LYS 78 12.936 -7.533 -2.414 614 1HB LYS 78 1HB LYS 78 15.241 -8.719 -1.122 615 2HB LYS 78 2HB LYS 78 15.725 -7.904 -2.595 616 1HG LYS 78 1HG LYS 78 13.747 -6.420 -0.914 617 2HG LYS 78 2HG LYS 78 15.329 -6.631 -0.190 618 1HD LYS 78 1HD LYS 78 16.209 -5.834 -2.576 619 2HD LYS 78 2HD LYS 78 14.594 -5.176 -2.742 620 1HE LYS 78 1HE LYS 78 15.331 -4.375 -0.158 621 2HE LYS 78 2HE LYS 78 16.833 -4.243 -1.052 622 1HZ LYS 78 1HZ LYS 78 14.275 -3.042 -1.859 623 2HZ LYS 78 2HZ LYS 78 15.540 -2.240 -1.207 624 3HZ LYS 78 3HZ LYS 78 15.677 -2.918 -2.687 625 H ARG 79 H ARG 79 11.841 -8.100 -4.367 626 HA ARG 79 HA ARG 79 13.501 -9.474 -6.299 627 1HB ARG 79 1HB ARG 79 10.528 -8.873 -6.105 628 2HB ARG 79 2HB ARG 79 11.228 -9.298 -7.654 629 1HG ARG 79 1HG ARG 79 11.824 -11.036 -5.248 630 2HG ARG 79 2HG ARG 79 10.272 -11.190 -6.045 631 1HD ARG 79 1HD ARG 79 11.420 -11.622 -8.222 632 2HD ARG 79 2HD ARG 79 12.979 -11.435 -7.446 633 HE ARG 79 HE ARG 79 11.318 -13.433 -6.116 634 1HH1 ARG 79 2HH2 ARG 79 13.531 -12.894 -8.798 635 2HH1 ARG 79 1HH2 ARG 79 14.004 -14.557 -8.908 636 1HH2 ARG 79 2HH1 ARG 79 11.942 -15.627 -6.262 637 2HH2 ARG 79 1HH1 ARG 79 13.094 -16.121 -7.455 638 H LYS 80 H LYS 80 12.644 -8.493 -8.726 639 HA LYS 80 HA LYS 80 13.962 -6.011 -8.869 640 1HB LYS 80 1HB LYS 80 12.595 -7.869 -10.754 641 2HB LYS 80 2HB LYS 80 12.767 -6.205 -11.273 642 1HG LYS 80 1HG LYS 80 15.260 -6.413 -10.546 643 2HG LYS 80 2HG LYS 80 14.974 -8.142 -10.467 644 1HD LYS 80 1HD LYS 80 13.911 -7.071 -12.968 645 2HD LYS 80 2HD LYS 80 15.587 -6.593 -12.780 646 1HE LYS 80 1HE LYS 80 15.791 -9.209 -12.019 647 2HE LYS 80 2HE LYS 80 14.419 -9.336 -13.102 648 1HZ LYS 80 1HZ LYS 80 15.865 -9.277 -14.741 649 2HZ LYS 80 2HZ LYS 80 16.240 -7.732 -14.369 650 3HZ LYS 80 3HZ LYS 80 17.117 -8.959 -13.742 651 H GLY 81 H GLY 81 10.496 -7.004 -8.912 652 1HA GLY 81 1HA GLY 81 9.474 -4.412 -9.416 653 2HA GLY 81 2HA GLY 81 8.604 -5.793 -8.777 654 H PHE 82 H PHE 82 11.080 -5.749 -6.674 655 HA PHE 82 HA PHE 82 9.546 -4.340 -4.709 656 1HB PHE 82 1HB PHE 82 10.883 -6.543 -4.460 657 2HB PHE 82 2HB PHE 82 12.351 -5.602 -4.634 658 HD1 PHE 82 1HD PHE 82 12.170 -3.359 -2.971 659 HD2 PHE 82 2HD PHE 82 10.499 -7.200 -2.296 660 HE1 PHE 82 1HE PHE 82 12.186 -2.931 -0.499 661 HE2 PHE 82 2HE PHE 82 10.516 -6.773 0.177 662 HZ PHE 82 HZ PHE 82 11.359 -4.643 1.046 663 H SER 83 H SER 83 12.850 -4.033 -6.185 664 HA SER 83 HA SER 83 13.483 -1.739 -4.743 665 1HB SER 83 1HB SER 83 14.697 -3.419 -6.746 666 2HB SER 83 2HB SER 83 14.870 -1.755 -7.268 667 HG SER 83 HG SER 83 15.960 -3.069 -4.995 668 H GLU 84 H GLU 84 12.379 -2.225 -8.176 669 HA GLU 84 HA GLU 84 12.184 0.539 -8.640 670 1HB GLU 84 1HB GLU 84 11.550 -0.053 -10.804 671 2HB GLU 84 2HB GLU 84 12.419 -1.491 -10.307 672 1HG GLU 84 1HG GLU 84 10.194 -2.495 -9.571 673 2HG GLU 84 2HG GLU 84 9.390 -1.098 -10.262 674 H GLY 85 H GLY 85 10.227 -1.719 -6.920 675 1HA GLY 85 1HA GLY 85 7.677 -0.505 -7.448 676 2HA GLY 85 2HA GLY 85 8.061 -1.713 -6.239 677 H LEU 86 H LEU 86 9.804 -0.716 -4.497 678 HA LEU 86 HA LEU 86 8.337 1.130 -3.027 679 1HB LEU 86 1HB LEU 86 9.670 -0.092 -1.688 680 2HB LEU 86 2HB LEU 86 10.969 -0.192 -2.861 681 HG LEU 86 HG LEU 86 11.588 1.029 -0.802 682 1HD1 LEU 86 1HD1 LEU 86 11.948 3.290 -2.484 683 2HD1 LEU 86 2HD1 LEU 86 13.101 1.986 -2.107 684 3HD1 LEU 86 3HD1 LEU 86 12.015 1.838 -3.510 685 1HD2 LEU 86 1HD2 LEU 86 10.288 3.540 -1.389 686 2HD2 LEU 86 2HD2 LEU 86 9.083 2.258 -1.116 687 3HD2 LEU 86 3HD2 LEU 86 10.317 2.598 0.121 688 H TRP 87 H TRP 87 10.664 1.524 -5.639 689 HA TRP 87 HA TRP 87 11.097 4.314 -5.002 690 1HB TRP 87 1HB TRP 87 12.488 2.310 -6.432 691 2HB TRP 87 2HB TRP 87 12.036 3.534 -7.603 692 HD1 TRP 87 HD TRP 87 13.132 6.023 -7.246 693 HE1 TRP 87 1HE TRP 87 15.257 6.928 -5.970 694 HE3 TRP 87 3HE TRP 87 13.814 1.887 -4.370 695 HZ2 TRP 87 2HZ TRP 87 16.947 5.837 -3.946 696 HZ3 TRP 87 3HZ TRP 87 15.726 1.888 -2.769 697 HH2 TRP 87 HH TRP 87 17.263 3.773 -2.532 698 H GLU 88 H GLU 88 8.934 2.229 -6.808 699 HA GLU 88 HA GLU 88 8.196 4.153 -8.729 700 1HB GLU 88 1HB GLU 88 7.489 1.404 -8.017 701 2HB GLU 88 2HB GLU 88 6.058 2.328 -8.430 702 1HG GLU 88 1HG GLU 88 8.056 3.048 -10.348 703 2HG GLU 88 2HG GLU 88 8.134 1.305 -10.190 704 H ILE 89 H ILE 89 7.439 3.613 -5.366 705 HA ILE 89 HA ILE 89 5.034 5.264 -5.589 706 HB ILE 89 HB ILE 89 4.445 3.413 -4.393 707 1HG1 ILE 89 1HG1 ILE 89 4.199 5.646 -3.107 708 2HG1 ILE 89 2HG1 ILE 89 3.909 4.139 -2.261 709 1HG2 ILE 89 1HG2 ILE 89 6.307 2.091 -4.180 710 2HG2 ILE 89 2HG2 ILE 89 7.286 3.387 -3.452 711 3HG2 ILE 89 3HG2 ILE 89 6.042 2.563 -2.484 712 1HD1 ILE 89 1HD1 ILE 89 6.750 4.936 -2.182 713 2HD1 ILE 89 2HD1 ILE 89 5.668 6.142 -1.447 714 3HD1 ILE 89 3HD1 ILE 89 5.667 4.465 -0.850 715 H GLU 90 H GLU 90 8.277 5.029 -4.045 716 HA GLU 90 HA GLU 90 7.916 7.508 -2.712 717 1HB GLU 90 1HB GLU 90 10.096 5.467 -2.986 718 2HB GLU 90 2HB GLU 90 10.595 7.092 -2.556 719 1HG GLU 90 1HG GLU 90 8.280 5.812 -1.078 720 2HG GLU 90 2HG GLU 90 9.919 5.357 -0.661 721 H ASN 91 H ASN 91 9.073 6.409 -5.855 722 HA ASN 91 HA ASN 91 9.717 9.183 -6.448 723 1HB ASN 91 1HB ASN 91 11.203 6.788 -7.637 724 2HB ASN 91 2HB ASN 91 11.614 8.480 -7.834 725 1HD2 ASN 91 1HD2 ASN 91 10.864 6.235 -5.165 726 2HD2 ASN 91 2HD2 ASN 91 12.186 6.674 -4.134 727 H ASN 92 H ASN 92 7.272 8.781 -7.090 728 HA ASN 92 HA ASN 92 6.703 7.055 -9.192 729 1HB ASN 92 1HB ASN 92 4.658 8.688 -9.450 730 2HB ASN 92 2HB ASN 92 4.818 7.800 -7.947 731 1HD2 ASN 92 1HD2 ASN 92 3.974 9.129 -6.497 732 2HD2 ASN 92 2HD2 ASN 92 4.500 10.745 -6.156 733 HA PRO 93 HA PRO 93 8.181 9.533 -12.505 734 1HB PRO 93 1HB PRO 93 6.958 8.300 -14.615 735 2HB PRO 93 2HB PRO 93 8.427 7.697 -13.872 736 1HG PRO 93 1HG PRO 93 5.667 6.669 -13.620 737 2HG PRO 93 2HG PRO 93 7.178 5.860 -13.251 738 1HD PRO 93 1HD PRO 93 5.335 7.000 -11.369 739 2HD PRO 93 2HD PRO 93 6.900 6.295 -11.010 740 H THR 94 H THR 94 4.726 8.913 -12.435 741 HA THR 94 HA THR 94 4.334 11.752 -12.975 742 HB THR 94 HB THR 94 3.424 9.427 -14.715 743 HG1 THR 94 1HG THR 94 5.264 10.668 -15.383 744 1HG2 THR 94 1HG2 THR 94 1.996 11.221 -15.885 745 2HG2 THR 94 2HG2 THR 94 1.332 10.615 -14.349 746 3HG2 THR 94 3HG2 THR 94 2.155 12.193 -14.403 747 H VAL 95 H VAL 95 3.888 11.712 -10.662 748 HA VAL 95 HA VAL 95 1.949 10.100 -9.519 749 HB VAL 95 HB VAL 95 3.480 11.352 -8.196 750 1HG1 VAL 95 1HG1 VAL 95 2.787 14.002 -8.153 751 2HG1 VAL 95 2HG1 VAL 95 4.151 13.318 -9.070 752 3HG1 VAL 95 3HG1 VAL 95 2.591 13.607 -9.877 753 1HG2 VAL 95 1HG2 VAL 95 0.630 11.513 -7.819 754 2HG2 VAL 95 2HG2 VAL 95 1.921 11.352 -6.603 755 3HG2 VAL 95 3HG2 VAL 95 1.404 12.966 -7.144 756 H LYS 96 H LYS 96 0.033 9.793 -10.622 757 HA LYS 96 HA LYS 96 -1.298 11.851 -11.983 758 1HB LYS 96 1HB LYS 96 -3.192 10.216 -12.015 759 2HB LYS 96 2HB LYS 96 -1.673 9.588 -12.623 760 1HG LYS 96 1HG LYS 96 -1.416 8.108 -10.869 761 2HG LYS 96 2HG LYS 96 -2.098 9.212 -9.693 762 1HD LYS 96 1HD LYS 96 -4.316 8.692 -11.251 763 2HD LYS 96 2HD LYS 96 -3.460 7.170 -11.387 764 1HE LYS 96 1HE LYS 96 -3.893 6.596 -9.215 765 2HE LYS 96 2HE LYS 96 -3.473 8.189 -8.616 766 1HZ LYS 96 1HZ LYS 96 -5.712 8.049 -8.240 767 2HZ LYS 96 2HZ LYS 96 -5.692 8.850 -9.662 768 3HZ LYS 96 3HZ LYS 96 -6.041 7.256 -9.628 769 H ALA 97 H ALA 97 -1.371 10.674 -8.613 770 HA ALA 97 HA ALA 97 -2.815 13.075 -7.891 771 1HB ALA 97 1HB ALA 97 -4.778 12.113 -7.298 772 2HB ALA 97 2HB ALA 97 -4.281 10.778 -8.365 773 3HB ALA 97 3HB ALA 97 -3.971 10.679 -6.616 774 H SER 98 H SER 98 -1.299 13.892 -6.514 775 HA SER 98 HA SER 98 0.441 12.249 -5.086 776 1HB SER 98 1HB SER 98 0.265 14.958 -5.701 777 2HB SER 98 2HB SER 98 -0.002 14.954 -3.969 778 HG SER 98 HG SER 98 2.122 13.318 -4.886 779 H GLY 99 H GLY 99 0.647 12.377 -2.580 780 1HA GLY 99 1HA GLY 99 -1.773 11.406 -1.435 781 2HA GLY 99 2HA GLY 99 -0.242 11.678 -0.627 782 H TYR 100 H TYR 100 0.356 14.085 -0.227 783 HA TYR 100 HA TYR 100 -2.057 15.694 0.185 784 1HB TYR 100 1HB TYR 100 -1.773 15.345 2.465 785 2HB TYR 100 2HB TYR 100 -0.435 14.268 2.126 786 HD1 TYR 100 1HD TYR 100 1.507 14.759 3.280 787 HD2 TYR 100 2HD TYR 100 -1.014 17.985 2.038 788 HE1 TYR 100 1HE TYR 100 3.107 16.427 4.339 789 HE2 TYR 100 2HE TYR 100 0.595 19.643 3.101 790 HH TYR 100 HH TYR 100 2.742 18.896 5.321 Start of MODEL 5 1 H MET 1 H MET 1 13.362 18.069 8.387 2 HA MET 1 HA MET 1 12.122 17.633 10.737 3 1HB MET 1 1HB MET 1 10.992 20.024 9.229 4 2HB MET 1 2HB MET 1 9.894 19.003 10.136 5 1HG MET 1 1HG MET 1 11.827 19.347 12.034 6 2HG MET 1 2HG MET 1 12.049 20.837 11.139 7 1HE MET 1 1HE MET 1 10.981 22.588 11.130 8 2HE MET 1 2HE MET 1 9.258 22.918 11.435 9 3HE MET 1 3HE MET 1 10.426 22.967 12.778 10 H SER 2 H SER 2 10.077 16.351 10.491 11 HA SER 2 HA SER 2 9.047 15.878 7.935 12 1HB SER 2 1HB SER 2 9.924 13.740 7.385 13 2HB SER 2 2HB SER 2 11.329 14.686 7.837 14 HG SER 2 HG SER 2 10.490 12.358 8.908 15 H ARG 3 H ARG 3 6.955 15.204 8.290 16 HA ARG 3 HA ARG 3 6.024 14.843 10.835 17 1HB ARG 3 1HB ARG 3 3.911 14.108 9.748 18 2HB ARG 3 2HB ARG 3 4.594 15.484 8.908 19 1HG ARG 3 1HG ARG 3 5.585 12.888 7.876 20 2HG ARG 3 2HG ARG 3 3.848 13.068 7.725 21 1HD ARG 3 1HD ARG 3 4.729 15.565 6.889 22 2HD ARG 3 2HD ARG 3 6.030 14.534 6.325 23 HE ARG 3 HE ARG 3 4.581 13.633 4.727 24 1HH1 ARG 3 2HH2 ARG 3 2.675 15.167 7.256 25 2HH1 ARG 3 1HH2 ARG 3 1.167 14.951 6.428 26 1HH2 ARG 3 2HH1 ARG 3 2.594 13.349 3.635 27 2HH2 ARG 3 1HH1 ARG 3 1.124 13.909 4.355 28 H SER 4 H SER 4 4.762 12.786 11.611 29 HA SER 4 HA SER 4 6.458 10.490 11.022 30 1HB SER 4 1HB SER 4 5.201 11.542 13.527 31 2HB SER 4 2HB SER 4 5.224 9.798 13.356 32 HG SER 4 HG SER 4 7.305 9.809 13.831 33 H ASN 5 H ASN 5 5.484 8.515 10.425 34 HA ASN 5 HA ASN 5 2.996 8.680 9.240 35 1HB ASN 5 1HB ASN 5 3.201 6.135 9.114 36 2HB ASN 5 2HB ASN 5 4.595 7.001 8.497 37 1HD2 ASN 5 1HD2 ASN 5 3.262 5.375 11.335 38 2HD2 ASN 5 2HD2 ASN 5 4.761 4.858 12.032 39 H ARG 6 H ARG 6 0.965 7.515 9.865 40 HA ARG 6 HA ARG 6 0.333 7.917 12.530 41 1HB ARG 6 1HB ARG 6 -1.846 7.267 11.913 42 2HB ARG 6 2HB ARG 6 -1.180 7.750 10.366 43 1HG ARG 6 1HG ARG 6 -0.439 5.021 10.679 44 2HG ARG 6 2HG ARG 6 -2.099 5.113 11.232 45 1HD ARG 6 1HD ARG 6 -2.821 5.226 9.084 46 2HD ARG 6 2HD ARG 6 -1.925 6.713 8.849 47 HE ARG 6 HE ARG 6 -1.013 3.981 8.149 48 1HH1 ARG 6 2HH2 ARG 6 -0.234 7.402 8.406 49 2HH1 ARG 6 1HH2 ARG 6 1.145 7.298 7.361 50 1HH2 ARG 6 2HH1 ARG 6 0.805 3.842 6.770 51 2HH2 ARG 6 1HH1 ARG 6 1.739 5.259 6.425 52 H GLN 7 H GLN 7 -1.067 5.808 13.571 53 HA GLN 7 HA GLN 7 0.948 3.702 13.681 54 1HB GLN 7 1HB GLN 7 -0.826 3.736 15.992 55 2HB GLN 7 2HB GLN 7 0.923 3.832 15.939 56 1HG GLN 7 1HG GLN 7 0.273 5.898 16.914 57 2HG GLN 7 2HG GLN 7 0.617 6.313 15.246 58 1HE2 GLN 7 1HE2 GLN 7 -0.717 7.926 14.825 59 2HE2 GLN 7 2HE2 GLN 7 -2.443 7.904 14.974 60 H LYS 8 H LYS 8 -2.527 4.105 14.686 61 HA LYS 8 HA LYS 8 -3.072 1.623 13.211 62 1HB LYS 8 1HB LYS 8 -4.823 1.169 14.863 63 2HB LYS 8 2HB LYS 8 -3.242 1.280 15.610 64 1HG LYS 8 1HG LYS 8 -4.676 2.554 17.033 65 2HG LYS 8 2HG LYS 8 -3.786 3.751 16.111 66 1HD LYS 8 1HD LYS 8 -5.693 4.567 15.183 67 2HD LYS 8 2HD LYS 8 -6.183 2.973 14.645 68 1HE LYS 8 1HE LYS 8 -7.672 2.749 16.354 69 2HE LYS 8 2HE LYS 8 -6.482 3.218 17.551 70 1HZ LYS 8 1HZ LYS 8 -7.047 5.401 17.352 71 2HZ LYS 8 2HZ LYS 8 -7.618 5.267 15.828 72 3HZ LYS 8 3HZ LYS 8 -8.503 4.712 17.084 73 H GLU 9 H GLU 9 -3.796 5.019 13.732 74 HA GLU 9 HA GLU 9 -6.305 4.860 12.386 75 1HB GLU 9 1HB GLU 9 -5.997 7.462 12.459 76 2HB GLU 9 2HB GLU 9 -6.260 6.596 13.960 77 1HG GLU 9 1HG GLU 9 -4.020 6.813 14.649 78 2HG GLU 9 2HG GLU 9 -3.417 6.973 13.011 79 H TYR 10 H TYR 10 -6.436 4.559 10.206 80 HA TYR 10 HA TYR 10 -4.599 6.091 8.529 81 1HB TYR 10 1HB TYR 10 -3.910 4.086 7.392 82 2HB TYR 10 2HB TYR 10 -3.969 3.555 9.061 83 HD1 TYR 10 1HD TYR 10 -6.334 2.584 9.837 84 HD2 TYR 10 2HD TYR 10 -4.991 2.805 5.781 85 HE1 TYR 10 1HE TYR 10 -7.968 0.749 9.188 86 HE2 TYR 10 2HE TYR 10 -6.632 0.968 5.146 87 HH TYR 10 HH TYR 10 -8.529 -0.068 5.852 88 H LYS 11 H LYS 11 -5.726 7.176 6.994 89 HA LYS 11 HA LYS 11 -8.346 6.062 6.266 90 1HB LYS 11 1HB LYS 11 -7.552 8.732 7.190 91 2HB LYS 11 2HB LYS 11 -8.465 8.769 5.695 92 1HG LYS 11 1HG LYS 11 -9.346 7.200 8.161 93 2HG LYS 11 2HG LYS 11 -9.876 8.834 7.818 94 1HD LYS 11 1HD LYS 11 -10.227 6.569 5.810 95 2HD LYS 11 2HD LYS 11 -11.425 6.911 7.040 96 1HE LYS 11 1HE LYS 11 -10.431 8.923 4.966 97 2HE LYS 11 2HE LYS 11 -11.942 8.044 4.863 98 1HZ LYS 11 1HZ LYS 11 -12.854 9.528 6.183 99 2HZ LYS 11 2HZ LYS 11 -11.754 9.271 7.364 100 3HZ LYS 11 3HZ LYS 11 -11.468 10.390 6.209 101 H CYS 12 H CYS 12 -9.015 7.310 4.024 102 HA CYS 12 HA CYS 12 -7.511 6.120 2.085 103 1HB CYS 12 1HB CYS 12 -9.886 7.255 2.032 104 2HB CYS 12 2HB CYS 12 -9.001 8.662 1.474 105 HG CYS 12 HG CYS 12 -7.757 7.487 -0.497 106 H GLY 13 H GLY 13 -5.936 6.965 0.537 107 1HA GLY 13 1HA GLY 13 -4.350 8.415 -0.235 108 2HA GLY 13 2HA GLY 13 -4.817 9.596 0.972 109 H ASP 14 H ASP 14 -4.518 6.644 2.584 110 HA ASP 14 HA ASP 14 -1.951 7.473 3.582 111 1HB ASP 14 1HB ASP 14 -3.884 6.832 5.096 112 2HB ASP 14 2HB ASP 14 -3.775 5.194 4.481 113 H LEU 15 H LEU 15 -0.042 6.208 3.311 114 HA LEU 15 HA LEU 15 -0.324 3.955 1.470 115 1HB LEU 15 1HB LEU 15 1.095 5.618 0.606 116 2HB LEU 15 2HB LEU 15 1.920 5.842 2.135 117 HG LEU 15 HG LEU 15 3.147 4.607 0.245 118 1HD1 LEU 15 1HD1 LEU 15 3.036 3.185 2.913 119 2HD1 LEU 15 2HD1 LEU 15 4.411 3.304 1.788 120 3HD1 LEU 15 3HD1 LEU 15 3.842 4.751 2.654 121 1HD2 LEU 15 1HD2 LEU 15 0.908 3.016 0.223 122 2HD2 LEU 15 2HD2 LEU 15 2.487 2.601 -0.487 123 3HD2 LEU 15 3HD2 LEU 15 2.068 2.033 1.147 124 H VAL 16 H VAL 16 0.330 1.884 2.003 125 HA VAL 16 HA VAL 16 1.809 1.461 4.435 126 HB VAL 16 HB VAL 16 -0.162 -0.250 5.014 127 1HG1 VAL 16 1HG1 VAL 16 -0.686 1.132 6.835 128 2HG1 VAL 16 2HG1 VAL 16 0.959 1.637 6.378 129 3HG1 VAL 16 3HG1 VAL 16 -0.442 2.624 5.897 130 1HG2 VAL 16 1HG2 VAL 16 -1.578 0.525 3.131 131 2HG2 VAL 16 2HG2 VAL 16 -2.353 0.766 4.716 132 3HG2 VAL 16 3HG2 VAL 16 -1.627 2.148 3.860 133 H PHE 17 H PHE 17 1.851 -1.145 4.753 134 HA PHE 17 HA PHE 17 2.671 -2.102 2.136 135 1HB PHE 17 1HB PHE 17 3.162 -2.657 5.065 136 2HB PHE 17 2HB PHE 17 3.281 -4.053 4.013 137 HD1 PHE 17 1HD PHE 17 4.945 -1.144 5.243 138 HD2 PHE 17 2HD PHE 17 4.890 -3.917 2.031 139 HE1 PHE 17 1HE PHE 17 7.291 -0.489 4.636 140 HE2 PHE 17 2HE PHE 17 7.237 -3.262 1.426 141 HZ PHE 17 HZ PHE 17 8.409 -1.554 2.736 142 H ALA 18 H ALA 18 1.282 -3.289 0.923 143 HA ALA 18 HA ALA 18 -0.835 -4.734 2.342 144 1HB ALA 18 1HB ALA 18 -1.223 -2.954 0.463 145 2HB ALA 18 2HB ALA 18 -0.717 -4.258 -0.638 146 3HB ALA 18 3HB ALA 18 -2.137 -4.479 0.411 147 H LYS 19 H LYS 19 -0.742 -6.922 2.493 148 HA LYS 19 HA LYS 19 1.238 -8.253 0.784 149 1HB LYS 19 1HB LYS 19 1.329 -8.173 3.439 150 2HB LYS 19 2HB LYS 19 0.190 -9.497 3.296 151 1HG LYS 19 1HG LYS 19 1.734 -10.912 2.252 152 2HG LYS 19 2HG LYS 19 2.639 -9.588 1.546 153 1HD LYS 19 1HD LYS 19 3.771 -9.102 3.590 154 2HD LYS 19 2HD LYS 19 2.589 -9.958 4.559 155 1HE LYS 19 1HE LYS 19 3.710 -11.819 2.643 156 2HE LYS 19 2HE LYS 19 5.031 -10.979 3.432 157 1HZ LYS 19 1HZ LYS 19 4.528 -12.747 4.808 158 2HZ LYS 19 2HZ LYS 19 3.788 -11.495 5.551 159 3HZ LYS 19 3HZ LYS 19 2.911 -12.560 4.677 160 H MET 20 H MET 20 0.656 -10.123 -0.370 161 HA MET 20 HA MET 20 -2.184 -10.766 -0.238 162 1HB MET 20 1HB MET 20 -1.527 -9.292 -2.244 163 2HB MET 20 2HB MET 20 -0.489 -10.595 -2.790 164 1HG MET 20 1HG MET 20 -2.250 -11.822 -3.591 165 2HG MET 20 2HG MET 20 -3.224 -11.528 -2.164 166 1HE MET 20 1HE MET 20 -1.448 -9.625 -4.920 167 2HE MET 20 2HE MET 20 -2.672 -10.402 -5.950 168 3HE MET 20 3HE MET 20 -2.711 -8.641 -5.699 169 H LYS 21 H LYS 21 -2.726 -12.979 -0.968 170 HA LYS 21 HA LYS 21 -0.982 -14.878 0.046 171 1HB LYS 21 1HB LYS 21 -3.364 -15.250 -0.084 172 2HB LYS 21 2HB LYS 21 -3.346 -15.133 -1.831 173 1HG LYS 21 1HG LYS 21 -2.389 -17.238 -2.115 174 2HG LYS 21 2HG LYS 21 -1.498 -17.160 -0.607 175 1HD LYS 21 1HD LYS 21 -3.252 -17.999 0.643 176 2HD LYS 21 2HD LYS 21 -4.470 -17.179 -0.313 177 1HE LYS 21 1HE LYS 21 -4.893 -19.146 -1.362 178 2HE LYS 21 2HE LYS 21 -3.306 -19.048 -2.098 179 1HZ LYS 21 1HZ LYS 21 -3.964 -20.320 0.466 180 2HZ LYS 21 2HZ LYS 21 -3.475 -21.062 -0.904 181 3HZ LYS 21 3HZ LYS 21 -2.437 -20.113 -0.075 182 H GLY 22 H GLY 22 0.829 -15.829 -0.722 183 1HA GLY 22 1HA GLY 22 2.175 -16.812 -2.304 184 2HA GLY 22 2HA GLY 22 1.171 -16.172 -3.590 185 H TYR 23 H TYR 23 1.297 -13.424 -2.043 186 HA TYR 23 HA TYR 23 3.955 -12.695 -3.077 187 1HB TYR 23 1HB TYR 23 1.490 -11.917 -3.986 188 2HB TYR 23 2HB TYR 23 1.619 -10.789 -2.652 189 HD1 TYR 23 1HD TYR 23 2.164 -8.667 -3.397 190 HD2 TYR 23 2HD TYR 23 4.055 -12.040 -5.231 191 HE1 TYR 23 1HE TYR 23 3.547 -7.109 -4.855 192 HE2 TYR 23 2HE TYR 23 5.431 -10.470 -6.682 193 HH TYR 23 HH TYR 23 4.686 -7.206 -7.015 194 HA PRO 24 HA PRO 24 4.740 -11.393 0.993 195 1HB PRO 24 1HB PRO 24 7.160 -10.192 0.579 196 2HB PRO 24 2HB PRO 24 6.975 -11.919 0.801 197 1HG PRO 24 1HG PRO 24 7.502 -10.417 -1.690 198 2HG PRO 24 2HG PRO 24 7.733 -12.123 -1.367 199 1HD PRO 24 1HD PRO 24 5.594 -10.932 -2.863 200 2HD PRO 24 2HD PRO 24 5.762 -12.626 -2.442 201 H HIS 25 H HIS 25 5.318 -9.410 2.326 202 HA HIS 25 HA HIS 25 3.456 -7.511 1.879 203 1HB HIS 25 1HB HIS 25 5.695 -7.898 3.610 204 2HB HIS 25 2HB HIS 25 5.731 -6.235 3.058 205 HD1 HIS 25 1HD HIS 25 2.419 -6.210 2.876 206 HD2 HIS 25 2HD HIS 25 4.856 -7.040 6.186 207 HE1 HIS 25 1HE HIS 25 0.998 -5.745 4.944 208 H TRP 26 H TRP 26 3.097 -6.012 0.323 209 HA TRP 26 HA TRP 26 5.455 -5.027 -1.131 210 1HB TRP 26 1HB TRP 26 3.455 -6.631 -2.181 211 2HB TRP 26 2HB TRP 26 2.958 -5.015 -2.645 212 HD1 TRP 26 HD TRP 26 4.578 -3.699 -4.400 213 HE1 TRP 26 1HE TRP 26 6.469 -4.436 -6.085 214 HE3 TRP 26 3HE TRP 26 5.318 -8.304 -2.374 215 HZ2 TRP 26 2HZ TRP 26 8.028 -6.810 -6.376 216 HZ3 TRP 26 3HZ TRP 26 7.043 -9.769 -3.418 217 HH2 TRP 26 HH TRP 26 8.375 -9.088 -5.352 218 HA PRO 27 HA PRO 27 3.847 -1.170 0.066 219 1HB PRO 27 1HB PRO 27 5.194 0.482 -1.643 220 2HB PRO 27 2HB PRO 27 5.901 -0.159 -0.174 221 1HG PRO 27 1HG PRO 27 6.393 -0.967 -2.974 222 2HG PRO 27 2HG PRO 27 7.371 -1.281 -1.554 223 1HD PRO 27 1HD PRO 27 5.637 -3.136 -2.889 224 2HD PRO 27 2HD PRO 27 6.524 -3.413 -1.404 225 H ALA 28 H ALA 28 1.701 -0.940 -0.184 226 HA ALA 28 HA ALA 28 0.947 -0.045 -2.877 227 1HB ALA 28 1HB ALA 28 0.321 -2.462 -2.359 228 2HB ALA 28 2HB ALA 28 -0.751 -1.822 -1.090 229 3HB ALA 28 3HB ALA 28 -1.034 -1.393 -2.794 230 H ARG 29 H ARG 29 -1.024 1.336 -2.883 231 HA ARG 29 HA ARG 29 -1.033 2.896 -0.447 232 1HB ARG 29 1HB ARG 29 -2.227 4.610 -1.928 233 2HB ARG 29 2HB ARG 29 -0.592 4.222 -2.423 234 1HG ARG 29 1HG ARG 29 -1.339 2.833 -4.229 235 2HG ARG 29 2HG ARG 29 -2.961 2.707 -3.578 236 1HD ARG 29 1HD ARG 29 -3.628 4.702 -4.504 237 2HD ARG 29 2HD ARG 29 -2.127 5.509 -4.096 238 HE ARG 29 HE ARG 29 -1.687 3.567 -6.196 239 1HH1 ARG 29 2HH2 ARG 29 -3.011 6.774 -5.606 240 2HH1 ARG 29 1HH2 ARG 29 -2.737 7.324 -7.227 241 1HH2 ARG 29 2HH1 ARG 29 -1.325 4.293 -8.332 242 2HH2 ARG 29 1HH1 ARG 29 -1.772 5.903 -8.786 243 H ILE 30 H ILE 30 -3.109 3.615 0.498 244 HA ILE 30 HA ILE 30 -5.087 1.546 0.339 245 HB ILE 30 HB ILE 30 -4.159 3.194 2.307 246 1HG1 ILE 30 1HG1 ILE 30 -5.335 0.954 2.420 247 2HG1 ILE 30 2HG1 ILE 30 -5.679 2.077 3.720 248 1HG2 ILE 30 1HG2 ILE 30 -6.836 4.271 1.389 249 2HG2 ILE 30 2HG2 ILE 30 -6.148 4.546 3.009 250 3HG2 ILE 30 3HG2 ILE 30 -5.302 5.156 1.566 251 1HD1 ILE 30 1HD1 ILE 30 -7.517 2.417 1.437 252 2HD1 ILE 30 2HD1 ILE 30 -7.583 0.787 2.145 253 3HD1 ILE 30 3HD1 ILE 30 -7.883 2.213 3.167 254 H ASP 31 H ASP 31 -7.253 1.752 -0.374 255 HA ASP 31 HA ASP 31 -7.962 4.243 -1.618 256 1HB ASP 31 1HB ASP 31 -7.373 1.691 -3.093 257 2HB ASP 31 2HB ASP 31 -8.785 2.587 -3.618 258 H GLU 32 H GLU 32 -10.319 4.398 -1.874 259 HA GLU 32 HA GLU 32 -11.700 2.269 -0.448 260 1HB GLU 32 1HB GLU 32 -11.669 4.950 0.105 261 2HB GLU 32 2HB GLU 32 -13.079 4.873 -0.931 262 1HG GLU 32 1HG GLU 32 -14.073 3.106 0.496 263 2HG GLU 32 2HG GLU 32 -12.637 3.077 1.500 264 H MET 33 H MET 33 -14.052 1.895 -1.181 265 HA MET 33 HA MET 33 -13.971 1.382 -3.959 266 1HB MET 33 1HB MET 33 -16.369 0.545 -3.453 267 2HB MET 33 2HB MET 33 -15.094 -0.219 -2.523 268 1HG MET 33 1HG MET 33 -15.750 0.778 -0.533 269 2HG MET 33 2HG MET 33 -16.264 2.261 -1.313 270 1HE MET 33 1HE MET 33 -19.625 2.204 -0.713 271 2HE MET 33 2HE MET 33 -18.917 1.374 0.693 272 3HE MET 33 3HE MET 33 -18.000 2.651 -0.141 273 HA PRO 34 HA PRO 34 -15.938 5.051 -5.241 274 1HB PRO 34 1HB PRO 34 -16.392 4.402 -7.858 275 2HB PRO 34 2HB PRO 34 -14.853 5.002 -7.272 276 1HG PRO 34 1HG PRO 34 -15.599 2.245 -8.033 277 2HG PRO 34 2HG PRO 34 -13.999 2.943 -7.859 278 1HD PRO 34 1HD PRO 34 -15.322 1.197 -6.005 279 2HD PRO 34 2HD PRO 34 -13.773 1.987 -5.780 280 H GLU 35 H GLU 35 -17.961 5.976 -6.131 281 HA GLU 35 HA GLU 35 -20.077 4.014 -6.093 282 1HB GLU 35 1HB GLU 35 -21.423 5.301 -4.472 283 2HB GLU 35 2HB GLU 35 -19.920 4.767 -3.745 284 1HG GLU 35 1HG GLU 35 -18.971 7.098 -4.483 285 2HG GLU 35 2HG GLU 35 -20.648 7.558 -4.707 286 H ALA 36 H ALA 36 -18.765 5.611 -8.185 287 HA ALA 36 HA ALA 36 -20.898 7.524 -8.822 288 1HB ALA 36 1HB ALA 36 -19.314 8.811 -9.861 289 2HB ALA 36 2HB ALA 36 -18.231 7.965 -8.730 290 3HB ALA 36 3HB ALA 36 -18.375 7.404 -10.414 291 H ALA 37 H ALA 37 -18.652 5.206 -10.511 292 HA ALA 37 HA ALA 37 -20.272 4.944 -12.763 293 1HB ALA 37 1HB ALA 37 -17.758 4.239 -12.127 294 2HB ALA 37 2HB ALA 37 -18.550 2.665 -11.865 295 3HB ALA 37 3HB ALA 37 -18.655 3.462 -13.454 296 H VAL 38 H VAL 38 -19.872 2.741 -9.894 297 HA VAL 38 HA VAL 38 -22.652 1.939 -10.295 298 HB VAL 38 HB VAL 38 -21.990 -0.418 -9.894 299 1HG1 VAL 38 1HG1 VAL 38 -22.486 -0.138 -12.112 300 2HG1 VAL 38 2HG1 VAL 38 -21.247 1.118 -12.350 301 3HG1 VAL 38 3HG1 VAL 38 -20.772 -0.595 -12.256 302 1HG2 VAL 38 1HG2 VAL 38 -19.820 -1.161 -9.770 303 2HG2 VAL 38 2HG2 VAL 38 -19.177 0.210 -10.707 304 3HG2 VAL 38 3HG2 VAL 38 -19.638 0.435 -9.002 305 H LYS 39 H LYS 39 -23.200 0.380 -8.257 306 HA LYS 39 HA LYS 39 -22.223 1.894 -5.943 307 1HB LYS 39 1HB LYS 39 -24.833 0.420 -6.403 308 2HB LYS 39 2HB LYS 39 -24.354 1.121 -4.870 309 1HG LYS 39 1HG LYS 39 -24.916 3.220 -5.548 310 2HG LYS 39 2HG LYS 39 -24.002 3.062 -7.036 311 1HD LYS 39 1HD LYS 39 -26.405 1.398 -7.144 312 2HD LYS 39 2HD LYS 39 -26.832 3.050 -6.744 313 1HE LYS 39 1HE LYS 39 -25.889 3.919 -8.750 314 2HE LYS 39 2HE LYS 39 -24.886 2.506 -9.010 315 1HZ LYS 39 1HZ LYS 39 -27.171 1.338 -9.148 316 2HZ LYS 39 2HZ LYS 39 -27.730 2.832 -9.500 317 3HZ LYS 39 3HZ LYS 39 -26.589 2.144 -10.444 318 H SER 40 H SER 40 -20.427 0.796 -5.232 319 HA SER 40 HA SER 40 -20.304 -2.011 -5.359 320 1HB SER 40 1HB SER 40 -18.554 0.201 -4.674 321 2HB SER 40 2HB SER 40 -18.421 -1.037 -3.442 322 HG SER 40 HG SER 40 -17.300 -1.029 -5.883 323 H THR 41 H THR 41 -19.377 -2.995 -2.980 324 HA THR 41 HA THR 41 -21.557 -2.399 -1.085 325 HB THR 41 HB THR 41 -21.663 -4.780 -0.632 326 HG1 THR 41 1HG THR 41 -19.390 -4.938 -2.476 327 1HG2 THR 41 1HG2 THR 41 -21.156 -4.403 -3.631 328 2HG2 THR 41 2HG2 THR 41 -21.905 -5.842 -2.896 329 3HG2 THR 41 3HG2 THR 41 -22.735 -4.269 -2.818 330 H ALA 42 H ALA 42 -21.055 -1.963 1.001 331 HA ALA 42 HA ALA 42 -18.267 -1.516 1.548 332 1HB ALA 42 1HB ALA 42 -20.513 -1.232 3.545 333 2HB ALA 42 2HB ALA 42 -19.042 -0.248 3.354 334 3HB ALA 42 3HB ALA 42 -20.377 -0.089 2.187 335 H ASN 43 H ASN 43 -16.905 -2.945 2.498 336 HA ASN 43 HA ASN 43 -17.504 -4.470 4.652 337 1HB ASN 43 1HB ASN 43 -17.567 -6.805 3.557 338 2HB ASN 43 2HB ASN 43 -19.038 -5.863 3.409 339 1HD2 ASN 43 1HD2 ASN 43 -19.782 -5.257 1.469 340 2HD2 ASN 43 2HD2 ASN 43 -19.042 -5.626 -0.053 341 H LYS 44 H LYS 44 -15.851 -4.160 1.491 342 HA LYS 44 HA LYS 44 -13.384 -5.126 2.761 343 1HB LYS 44 1HB LYS 44 -12.655 -5.924 0.587 344 2HB LYS 44 2HB LYS 44 -14.175 -6.672 1.031 345 1HG LYS 44 1HG LYS 44 -14.874 -6.020 -1.045 346 2HG LYS 44 2HG LYS 44 -15.088 -4.444 -0.310 347 1HD LYS 44 1HD LYS 44 -12.449 -4.245 -0.894 348 2HD LYS 44 2HD LYS 44 -12.891 -5.417 -2.121 349 1HE LYS 44 1HE LYS 44 -14.902 -3.318 -2.055 350 2HE LYS 44 2HE LYS 44 -13.315 -2.582 -2.164 351 1HZ LYS 44 1HZ LYS 44 -13.882 -3.036 -4.331 352 2HZ LYS 44 2HZ LYS 44 -12.925 -4.309 -3.967 353 3HZ LYS 44 3HZ LYS 44 -14.547 -4.491 -3.997 354 H TYR 45 H TYR 45 -11.372 -4.134 1.601 355 HA TYR 45 HA TYR 45 -11.973 -1.305 1.053 356 1HB TYR 45 1HB TYR 45 -10.428 -2.681 3.104 357 2HB TYR 45 2HB TYR 45 -9.277 -1.875 2.056 358 HD1 TYR 45 1HD TYR 45 -12.682 -0.586 2.776 359 HD2 TYR 45 2HD TYR 45 -8.503 -0.243 3.627 360 HE1 TYR 45 1HE TYR 45 -13.102 1.605 3.998 361 HE2 TYR 45 2HE TYR 45 -8.937 1.945 4.843 362 HH TYR 45 HH TYR 45 -10.604 3.716 4.819 363 H GLN 46 H GLN 46 -10.751 -0.273 -0.575 364 HA GLN 46 HA GLN 46 -9.635 -2.122 -2.454 365 1HB GLN 46 1HB GLN 46 -10.569 0.714 -2.478 366 2HB GLN 46 2HB GLN 46 -9.279 0.337 -3.601 367 1HG GLN 46 1HG GLN 46 -11.029 -1.837 -3.895 368 2HG GLN 46 2HG GLN 46 -12.118 -0.483 -3.662 369 1HE2 GLN 46 1HE2 GLN 46 -10.611 1.582 -4.745 370 2HE2 GLN 46 2HE2 GLN 46 -10.459 1.373 -6.458 371 H VAL 47 H VAL 47 -7.456 -2.195 -3.159 372 HA VAL 47 HA VAL 47 -5.601 -0.408 -1.780 373 HB VAL 47 HB VAL 47 -5.898 -3.317 -1.429 374 1HG1 VAL 47 1HG1 VAL 47 -3.962 -3.607 -2.707 375 2HG1 VAL 47 2HG1 VAL 47 -3.242 -2.079 -2.145 376 3HG1 VAL 47 3HG1 VAL 47 -3.337 -3.476 -1.045 377 1HG2 VAL 47 1HG2 VAL 47 -4.417 -1.212 0.184 378 2HG2 VAL 47 2HG2 VAL 47 -6.136 -1.630 0.384 379 3HG2 VAL 47 3HG2 VAL 47 -4.880 -2.845 0.722 380 H PHE 48 H PHE 48 -4.006 0.349 -3.117 381 HA PHE 48 HA PHE 48 -3.944 -0.856 -5.790 382 1HB PHE 48 1HB PHE 48 -4.280 1.803 -4.762 383 2HB PHE 48 2HB PHE 48 -2.647 1.773 -5.395 384 HD1 PHE 48 1HD PHE 48 -3.227 -0.234 -7.655 385 HD2 PHE 48 2HD PHE 48 -5.208 3.291 -6.366 386 HE1 PHE 48 1HE PHE 48 -4.118 0.114 -9.975 387 HE2 PHE 48 2HE PHE 48 -6.100 3.638 -8.686 388 HZ PHE 48 HZ PHE 48 -5.544 2.047 -10.462 389 H PHE 49 H PHE 49 -2.252 -2.269 -5.946 390 HA PHE 49 HA PHE 49 0.082 -1.924 -4.347 391 1HB PHE 49 1HB PHE 49 -1.014 -3.767 -6.500 392 2HB PHE 49 2HB PHE 49 0.711 -3.832 -6.203 393 HD1 PHE 49 1HD PHE 49 1.298 -5.637 -4.913 394 HD2 PHE 49 2HD PHE 49 -2.314 -3.601 -4.011 395 HE1 PHE 49 1HE PHE 49 0.906 -7.189 -2.979 396 HE2 PHE 49 2HE PHE 49 -2.706 -5.153 -2.078 397 HZ PHE 49 HZ PHE 49 -1.090 -6.928 -1.584 398 H PHE 50 H PHE 50 1.785 -0.616 -4.798 399 HA PHE 50 HA PHE 50 1.942 0.703 -7.302 400 1HB PHE 50 1HB PHE 50 3.681 0.403 -4.794 401 2HB PHE 50 2HB PHE 50 4.227 1.377 -6.143 402 HD1 PHE 50 1HD PHE 50 2.441 3.170 -6.976 403 HD2 PHE 50 2HD PHE 50 2.532 1.456 -3.096 404 HE1 PHE 50 1HE PHE 50 1.156 5.131 -6.081 405 HE2 PHE 50 2HE PHE 50 1.247 3.419 -2.199 406 HZ PHE 50 HZ PHE 50 0.575 5.232 -3.703 407 H GLY 51 H GLY 51 3.446 -2.179 -5.842 408 1HA GLY 51 1HA GLY 51 5.695 -2.422 -7.477 409 2HA GLY 51 2HA GLY 51 4.843 -3.727 -6.676 410 H THR 52 H THR 52 2.424 -3.992 -7.825 411 HA THR 52 HA THR 52 3.116 -4.720 -10.554 412 HB THR 52 HB THR 52 1.258 -6.217 -10.351 413 HG1 THR 52 1HG THR 52 0.522 -4.558 -8.046 414 1HG2 THR 52 1HG2 THR 52 1.520 -6.185 -7.415 415 2HG2 THR 52 2HG2 THR 52 1.963 -7.470 -8.566 416 3HG2 THR 52 3HG2 THR 52 3.108 -6.152 -8.218 417 H HIS 53 H HIS 53 1.406 -2.220 -8.806 418 HA HIS 53 HA HIS 53 0.450 -0.376 -9.530 419 1HB HIS 53 1HB HIS 53 2.255 -0.551 -11.343 420 2HB HIS 53 2HB HIS 53 0.997 -1.171 -12.392 421 HD1 HIS 53 1HD HIS 53 2.188 1.364 -13.354 422 HD2 HIS 53 2HD HIS 53 -0.957 1.342 -10.580 423 HE1 HIS 53 1HE HIS 53 1.079 3.656 -13.515 424 H GLU 54 H GLU 54 -1.056 -2.690 -8.906 425 HA GLU 54 HA GLU 54 -3.328 -2.207 -10.654 426 1HB GLU 54 1HB GLU 54 -2.284 -4.914 -9.734 427 2HB GLU 54 2HB GLU 54 -3.910 -4.691 -10.347 428 1HG GLU 54 1HG GLU 54 -1.879 -3.452 -12.097 429 2HG GLU 54 2HG GLU 54 -1.612 -5.171 -11.887 430 H THR 55 H THR 55 -5.451 -2.648 -9.593 431 HA THR 55 HA THR 55 -5.233 -2.140 -6.715 432 HB THR 55 HB THR 55 -7.313 -1.619 -8.880 433 HG1 THR 55 1HG THR 55 -6.760 0.510 -8.189 434 1HG2 THR 55 1HG2 THR 55 -8.018 -0.494 -6.301 435 2HG2 THR 55 2HG2 THR 55 -9.000 -1.550 -7.344 436 3HG2 THR 55 3HG2 THR 55 -7.901 -2.263 -6.139 437 H ALA 56 H ALA 56 -5.410 -3.789 -5.346 438 HA ALA 56 HA ALA 56 -7.061 -6.055 -6.230 439 1HB ALA 56 1HB ALA 56 -4.654 -5.955 -4.366 440 2HB ALA 56 2HB ALA 56 -5.620 -7.409 -4.717 441 3HB ALA 56 3HB ALA 56 -4.689 -6.623 -6.015 442 H PHE 57 H PHE 57 -8.452 -7.046 -4.637 443 HA PHE 57 HA PHE 57 -9.425 -5.096 -2.746 444 1HB PHE 57 1HB PHE 57 -11.308 -6.686 -2.624 445 2HB PHE 57 2HB PHE 57 -10.848 -6.550 -4.310 446 HD1 PHE 57 1HD PHE 57 -11.022 -8.745 -1.423 447 HD2 PHE 57 2HD PHE 57 -9.616 -8.386 -5.410 448 HE1 PHE 57 1HE PHE 57 -10.725 -11.235 -1.544 449 HE2 PHE 57 2HE PHE 57 -9.320 -10.875 -5.531 450 HZ PHE 57 HZ PHE 57 -9.878 -12.271 -3.596 451 H LEU 58 H LEU 58 -8.440 -4.958 -0.779 452 HA LEU 58 HA LEU 58 -7.974 -7.489 0.613 453 1HB LEU 58 1HB LEU 58 -6.008 -5.210 0.354 454 2HB LEU 58 2HB LEU 58 -5.865 -6.504 1.526 455 HG LEU 58 HG LEU 58 -5.966 -6.984 -1.461 456 1HD1 LEU 58 1HD1 LEU 58 -4.002 -5.539 -0.481 457 2HD1 LEU 58 2HD1 LEU 58 -3.407 -7.117 0.089 458 3HD1 LEU 58 3HD1 LEU 58 -3.683 -6.844 -1.648 459 1HD2 LEU 58 1HD2 LEU 58 -5.439 -9.187 -1.040 460 2HD2 LEU 58 2HD2 LEU 58 -4.747 -8.834 0.561 461 3HD2 LEU 58 3HD2 LEU 58 -6.511 -8.810 0.329 462 H GLY 59 H GLY 59 -7.379 -6.815 3.072 463 1HA GLY 59 1HA GLY 59 -9.412 -4.803 3.836 464 2HA GLY 59 2HA GLY 59 -9.114 -6.294 4.708 465 HA PRO 60 HA PRO 60 -6.518 -3.150 6.674 466 1HB PRO 60 1HB PRO 60 -7.339 -3.567 9.247 467 2HB PRO 60 2HB PRO 60 -8.041 -2.347 8.203 468 1HG PRO 60 1HG PRO 60 -9.166 -4.956 9.020 469 2HG PRO 60 2HG PRO 60 -9.994 -3.564 8.348 470 1HD PRO 60 1HD PRO 60 -9.296 -5.979 6.966 471 2HD PRO 60 2HD PRO 60 -10.020 -4.544 6.268 472 H LYS 61 H LYS 61 -7.164 -6.462 7.517 473 HA LYS 61 HA LYS 61 -4.812 -6.795 9.030 474 1HB LYS 61 1HB LYS 61 -5.293 -9.242 8.635 475 2HB LYS 61 2HB LYS 61 -6.578 -8.322 9.389 476 1HG LYS 61 1HG LYS 61 -6.922 -8.127 6.530 477 2HG LYS 61 2HG LYS 61 -6.658 -9.815 6.920 478 1HD LYS 61 1HD LYS 61 -8.414 -8.962 8.937 479 2HD LYS 61 2HD LYS 61 -8.981 -8.097 7.523 480 1HE LYS 61 1HE LYS 61 -8.928 -10.334 6.260 481 2HE LYS 61 2HE LYS 61 -8.615 -11.115 7.797 482 1HZ LYS 61 1HZ LYS 61 -10.825 -9.284 7.794 483 2HZ LYS 61 2HZ LYS 61 -11.034 -10.613 6.868 484 3HZ LYS 61 3HZ LYS 61 -10.703 -10.771 8.459 485 H ASP 62 H ASP 62 -5.616 -7.065 5.547 486 HA ASP 62 HA ASP 62 -3.174 -8.260 4.872 487 1HB ASP 62 1HB ASP 62 -5.451 -6.931 3.429 488 2HB ASP 62 2HB ASP 62 -3.937 -7.044 2.553 489 H LEU 63 H LEU 63 -4.031 -5.136 5.968 490 HA LEU 63 HA LEU 63 -1.720 -3.932 4.610 491 1HB LEU 63 1HB LEU 63 -4.411 -3.083 4.773 492 2HB LEU 63 2HB LEU 63 -3.487 -2.006 5.801 493 HG LEU 63 HG LEU 63 -2.161 -1.226 4.026 494 1HD1 LEU 63 1HD1 LEU 63 -2.690 -3.852 2.871 495 2HD1 LEU 63 2HD1 LEU 63 -2.822 -2.538 1.677 496 3HD1 LEU 63 3HD1 LEU 63 -1.325 -2.737 2.618 497 1HD2 LEU 63 1HD2 LEU 63 -3.737 -0.379 2.405 498 2HD2 LEU 63 2HD2 LEU 63 -4.906 -1.657 2.814 499 3HD2 LEU 63 3HD2 LEU 63 -4.500 -0.406 4.013 500 H PHE 64 H PHE 64 0.031 -3.747 5.888 501 HA PHE 64 HA PHE 64 -0.476 -3.343 8.752 502 1HB PHE 64 1HB PHE 64 1.191 -5.238 7.146 503 2HB PHE 64 2HB PHE 64 2.105 -4.441 8.413 504 HD1 PHE 64 1HD PHE 64 2.387 -5.856 10.203 505 HD2 PHE 64 2HD PHE 64 -1.378 -5.793 8.245 506 HE1 PHE 64 1HE PHE 64 1.486 -7.492 11.881 507 HE2 PHE 64 2HE PHE 64 -2.278 -7.429 9.922 508 HZ PHE 64 HZ PHE 64 -0.835 -8.260 11.720 509 HA PRO 65 HA PRO 65 2.049 0.155 8.341 510 1HB PRO 65 1HB PRO 65 2.796 0.562 10.938 511 2HB PRO 65 2HB PRO 65 1.240 1.055 10.301 512 1HG PRO 65 1HG PRO 65 1.880 -1.233 12.059 513 2HG PRO 65 2HG PRO 65 0.327 -0.478 11.762 514 1HD PRO 65 1HD PRO 65 1.264 -2.964 10.679 515 2HD PRO 65 2HD PRO 65 -0.240 -2.153 10.291 516 H TYR 66 H TYR 66 4.246 1.130 8.711 517 HA TYR 66 HA TYR 66 6.123 -0.846 7.938 518 1HB TYR 66 1HB TYR 66 6.407 1.412 7.133 519 2HB TYR 66 2HB TYR 66 6.008 2.107 8.691 520 HD1 TYR 66 1HD TYR 66 8.676 0.453 6.730 521 HD2 TYR 66 2HD TYR 66 7.702 2.497 10.361 522 HE1 TYR 66 1HE TYR 66 11.150 0.722 7.252 523 HE2 TYR 66 2HE TYR 66 10.179 2.758 10.870 524 HH TYR 66 HH TYR 66 12.543 2.327 8.584 525 H GLU 67 H GLU 67 5.361 0.873 11.002 526 HA GLU 67 HA GLU 67 7.613 0.280 12.397 527 1HB GLU 67 1HB GLU 67 5.067 1.340 12.948 528 2HB GLU 67 2HB GLU 67 5.190 -0.030 14.031 529 1HG GLU 67 1HG GLU 67 7.694 1.056 14.348 530 2HG GLU 67 2HG GLU 67 6.775 2.505 13.987 531 H GLU 68 H GLU 68 4.610 -1.725 12.034 532 HA GLU 68 HA GLU 68 5.565 -3.799 13.632 533 1HB GLU 68 1HB GLU 68 3.217 -3.207 12.027 534 2HB GLU 68 2HB GLU 68 3.719 -4.859 11.731 535 1HG GLU 68 1HG GLU 68 3.227 -5.546 13.875 536 2HG GLU 68 2HG GLU 68 3.787 -4.051 14.599 537 H SER 69 H SER 69 5.525 -3.270 10.049 538 HA SER 69 HA SER 69 6.498 -5.679 9.279 539 1HB SER 69 1HB SER 69 5.877 -3.339 8.017 540 2HB SER 69 2HB SER 69 7.622 -3.287 7.877 541 HG SER 69 HG SER 69 7.237 -4.522 6.152 542 H LYS 70 H LYS 70 8.381 -2.688 10.134 543 HA LYS 70 HA LYS 70 10.893 -3.873 9.800 544 1HB LYS 70 1HB LYS 70 11.680 -1.829 10.339 545 2HB LYS 70 2HB LYS 70 10.008 -1.350 10.137 546 1HG LYS 70 1HG LYS 70 9.779 -2.015 12.693 547 2HG LYS 70 2HG LYS 70 11.525 -1.867 12.710 548 1HD LYS 70 1HD LYS 70 10.442 0.424 11.312 549 2HD LYS 70 2HD LYS 70 9.562 0.237 12.817 550 1HE LYS 70 1HE LYS 70 12.091 -0.167 13.752 551 2HE LYS 70 2HE LYS 70 12.470 0.851 12.377 552 1HZ LYS 70 1HZ LYS 70 11.616 1.720 14.770 553 2HZ LYS 70 2HZ LYS 70 11.599 2.598 13.391 554 3HZ LYS 70 3HZ LYS 70 10.252 1.809 13.874 555 H GLU 71 H GLU 71 8.453 -4.133 12.299 556 HA GLU 71 HA GLU 71 10.096 -4.716 14.442 557 1HB GLU 71 1HB GLU 71 7.398 -4.453 14.062 558 2HB GLU 71 2HB GLU 71 7.506 -6.191 14.246 559 1HG GLU 71 1HG GLU 71 8.878 -5.790 16.372 560 2HG GLU 71 2HG GLU 71 8.510 -4.084 16.212 561 H LYS 72 H LYS 72 8.690 -6.810 11.859 562 HA LYS 72 HA LYS 72 10.094 -9.097 12.984 563 1HB LYS 72 1HB LYS 72 7.822 -9.534 12.407 564 2HB LYS 72 2HB LYS 72 7.992 -8.787 10.832 565 1HG LYS 72 1HG LYS 72 8.126 -11.114 10.373 566 2HG LYS 72 2HG LYS 72 9.795 -10.584 10.337 567 1HD LYS 72 1HD LYS 72 9.038 -11.295 13.067 568 2HD LYS 72 2HD LYS 72 8.663 -12.619 11.980 569 1HE LYS 72 1HE LYS 72 11.100 -12.128 11.013 570 2HE LYS 72 2HE LYS 72 11.350 -11.351 12.562 571 1HZ LYS 72 1HZ LYS 72 10.842 -13.351 13.665 572 2HZ LYS 72 2HZ LYS 72 10.317 -14.084 12.304 573 3HZ LYS 72 3HZ LYS 72 11.902 -13.741 12.486 574 H PHE 73 H PHE 73 9.660 -7.676 9.662 575 HA PHE 73 HA PHE 73 12.539 -8.061 9.297 576 1HB PHE 73 1HB PHE 73 11.915 -8.850 6.952 577 2HB PHE 73 2HB PHE 73 11.336 -9.933 8.203 578 HD1 PHE 73 1HD PHE 73 8.881 -9.327 9.083 579 HD2 PHE 73 2HD PHE 73 10.439 -8.266 5.282 580 HE1 PHE 73 1HE PHE 73 6.547 -9.116 8.185 581 HE2 PHE 73 2HE PHE 73 8.106 -8.055 4.384 582 HZ PHE 73 HZ PHE 73 6.186 -8.483 5.846 583 H GLY 74 H GLY 74 9.500 -6.657 7.879 584 1HA GLY 74 1HA GLY 74 9.083 -4.589 7.088 585 2HA GLY 74 2HA GLY 74 10.580 -4.033 7.810 586 H LYS 75 H LYS 75 11.387 -6.728 5.956 587 HA LYS 75 HA LYS 75 11.702 -5.147 3.514 588 1HB LYS 75 1HB LYS 75 14.024 -5.986 3.300 589 2HB LYS 75 2HB LYS 75 13.801 -4.901 4.659 590 1HG LYS 75 1HG LYS 75 13.273 -7.301 5.880 591 2HG LYS 75 2HG LYS 75 14.398 -7.833 4.647 592 1HD LYS 75 1HD LYS 75 15.777 -5.671 5.495 593 2HD LYS 75 2HD LYS 75 14.858 -5.957 6.959 594 1HE LYS 75 1HE LYS 75 15.700 -8.261 7.111 595 2HE LYS 75 2HE LYS 75 16.481 -8.126 5.548 596 1HZ LYS 75 1HZ LYS 75 17.188 -6.144 7.525 597 2HZ LYS 75 2HZ LYS 75 17.733 -7.661 7.784 598 3HZ LYS 75 3HZ LYS 75 18.124 -6.878 6.406 599 HA PRO 76 HA PRO 76 9.934 -9.037 2.366 600 1HB PRO 76 1HB PRO 76 8.582 -8.120 0.176 601 2HB PRO 76 2HB PRO 76 7.890 -8.152 1.784 602 1HG PRO 76 1HG PRO 76 8.904 -5.839 0.248 603 2HG PRO 76 2HG PRO 76 7.842 -5.850 1.642 604 1HD PRO 76 1HD PRO 76 10.635 -5.195 1.617 605 2HD PRO 76 2HD PRO 76 9.600 -5.320 3.025 606 H ASN 77 H ASN 77 9.825 -10.301 0.189 607 HA ASN 77 HA ASN 77 12.357 -10.785 -0.537 608 1HB ASN 77 1HB ASN 77 9.688 -11.131 -1.900 609 2HB ASN 77 2HB ASN 77 11.112 -11.397 -2.884 610 1HD2 ASN 77 1HD2 ASN 77 10.559 -11.967 0.578 611 2HD2 ASN 77 2HD2 ASN 77 10.850 -13.674 0.574 612 H LYS 78 H LYS 78 13.898 -9.474 -1.525 613 HA LYS 78 HA LYS 78 13.114 -7.052 -2.794 614 1HB LYS 78 1HB LYS 78 15.467 -8.163 -1.635 615 2HB LYS 78 2HB LYS 78 15.862 -7.719 -3.282 616 1HG LYS 78 1HG LYS 78 16.225 -5.686 -2.186 617 2HG LYS 78 2HG LYS 78 14.567 -5.476 -2.716 618 1HD LYS 78 1HD LYS 78 14.497 -4.843 -0.433 619 2HD LYS 78 2HD LYS 78 13.879 -6.482 -0.417 620 1HE LYS 78 1HE LYS 78 16.822 -6.402 -0.184 621 2HE LYS 78 2HE LYS 78 16.034 -5.512 1.102 622 1HZ LYS 78 1HZ LYS 78 15.375 -8.274 0.343 623 2HZ LYS 78 2HZ LYS 78 16.301 -7.847 1.618 624 3HZ LYS 78 3HZ LYS 78 14.721 -7.442 1.587 625 H ARG 79 H ARG 79 11.638 -8.040 -4.419 626 HA ARG 79 HA ARG 79 12.999 -9.498 -6.484 627 1HB ARG 79 1HB ARG 79 10.079 -8.632 -6.186 628 2HB ARG 79 2HB ARG 79 10.676 -9.619 -7.505 629 1HG ARG 79 1HG ARG 79 11.472 -10.651 -4.846 630 2HG ARG 79 2HG ARG 79 9.734 -10.572 -5.053 631 1HD ARG 79 1HD ARG 79 9.870 -11.904 -7.128 632 2HD ARG 79 2HD ARG 79 11.621 -11.884 -7.068 633 HE ARG 79 HE ARG 79 10.746 -12.945 -4.592 634 1HH1 ARG 79 2HH2 ARG 79 10.597 -13.806 -8.001 635 2HH1 ARG 79 1HH2 ARG 79 10.543 -15.510 -7.700 636 1HH2 ARG 79 2HH1 ARG 79 10.675 -15.194 -4.194 637 2HH2 ARG 79 1HH1 ARG 79 10.587 -16.306 -5.519 638 H LYS 80 H LYS 80 11.747 -8.677 -8.830 639 HA LYS 80 HA LYS 80 13.134 -6.293 -9.409 640 1HB LYS 80 1HB LYS 80 11.748 -8.385 -10.831 641 2HB LYS 80 2HB LYS 80 11.238 -6.826 -11.446 642 1HG LYS 80 1HG LYS 80 13.612 -6.148 -11.760 643 2HG LYS 80 2HG LYS 80 14.152 -7.673 -11.084 644 1HD LYS 80 1HD LYS 80 12.778 -8.824 -12.956 645 2HD LYS 80 2HD LYS 80 12.626 -7.239 -13.687 646 1HE LYS 80 1HE LYS 80 15.043 -7.025 -13.926 647 2HE LYS 80 2HE LYS 80 15.328 -8.450 -12.946 648 1HZ LYS 80 1HZ LYS 80 15.001 -8.378 -15.645 649 2HZ LYS 80 2HZ LYS 80 15.046 -9.716 -14.710 650 3HZ LYS 80 3HZ LYS 80 13.611 -9.039 -15.098 651 H GLY 81 H GLY 81 9.566 -7.008 -9.485 652 1HA GLY 81 1HA GLY 81 8.779 -4.330 -9.701 653 2HA GLY 81 2HA GLY 81 7.792 -5.670 -9.156 654 H PHE 82 H PHE 82 10.233 -6.016 -7.056 655 HA PHE 82 HA PHE 82 8.828 -4.630 -4.989 656 1HB PHE 82 1HB PHE 82 9.800 -6.814 -4.522 657 2HB PHE 82 2HB PHE 82 11.314 -6.388 -5.295 658 HD1 PHE 82 1HD PHE 82 12.506 -4.260 -4.134 659 HD2 PHE 82 2HD PHE 82 9.807 -6.922 -2.225 660 HE1 PHE 82 1HE PHE 82 13.470 -3.638 -1.902 661 HE2 PHE 82 2HE PHE 82 10.772 -6.299 0.008 662 HZ PHE 82 HZ PHE 82 12.592 -4.665 0.142 663 H SER 83 H SER 83 11.931 -4.274 -6.774 664 HA SER 83 HA SER 83 12.852 -2.221 -5.070 665 1HB SER 83 1HB SER 83 14.293 -3.745 -6.507 666 2HB SER 83 2HB SER 83 13.738 -2.865 -7.916 667 HG SER 83 HG SER 83 15.265 -1.435 -7.512 668 H GLU 84 H GLU 84 11.660 -2.271 -8.515 669 HA GLU 84 HA GLU 84 11.593 0.496 -8.733 670 1HB GLU 84 1HB GLU 84 10.726 0.123 -10.863 671 2HB GLU 84 2HB GLU 84 11.481 -1.426 -10.542 672 1HG GLU 84 1HG GLU 84 9.247 -2.280 -9.692 673 2HG GLU 84 2HG GLU 84 8.524 -0.754 -10.164 674 H GLY 85 H GLY 85 9.317 -1.886 -7.409 675 1HA GLY 85 1HA GLY 85 6.992 -0.267 -7.466 676 2HA GLY 85 2HA GLY 85 7.275 -1.688 -6.480 677 H LEU 86 H LEU 86 9.356 -1.082 -4.818 678 HA LEU 86 HA LEU 86 8.159 0.593 -2.933 679 1HB LEU 86 1HB LEU 86 9.483 -0.924 -1.926 680 2HB LEU 86 2HB LEU 86 10.663 -0.939 -3.221 681 HG LEU 86 HG LEU 86 11.594 -0.112 -1.105 682 1HD1 LEU 86 1HD1 LEU 86 11.860 2.400 -2.468 683 2HD1 LEU 86 2HD1 LEU 86 13.022 1.058 -2.334 684 3HD1 LEU 86 3HD1 LEU 86 11.834 1.077 -3.658 685 1HD2 LEU 86 1HD2 LEU 86 9.163 1.309 -0.923 686 2HD2 LEU 86 2HD2 LEU 86 10.519 1.294 0.229 687 3HD2 LEU 86 3HD2 LEU 86 10.456 2.525 -1.053 688 H TRP 87 H TRP 87 10.346 1.199 -5.640 689 HA TRP 87 HA TRP 87 11.035 3.828 -4.642 690 1HB TRP 87 1HB TRP 87 12.189 1.963 -6.420 691 2HB TRP 87 2HB TRP 87 11.756 3.358 -7.389 692 HD1 TRP 87 HD TRP 87 13.038 5.709 -6.778 693 HE1 TRP 87 1HE TRP 87 15.297 6.298 -5.548 694 HE3 TRP 87 3HE TRP 87 13.612 1.179 -4.540 695 HZ2 TRP 87 2HZ TRP 87 17.031 4.835 -3.816 696 HZ3 TRP 87 3HZ TRP 87 15.615 0.842 -3.096 697 HH2 TRP 87 HH TRP 87 17.292 2.581 -2.718 698 H GLU 88 H GLU 88 8.596 2.193 -6.548 699 HA GLU 88 HA GLU 88 7.915 4.382 -8.169 700 1HB GLU 88 1HB GLU 88 6.900 1.668 -7.611 701 2HB GLU 88 2HB GLU 88 5.613 2.809 -7.944 702 1HG GLU 88 1HG GLU 88 6.831 3.522 -10.039 703 2HG GLU 88 2HG GLU 88 8.052 2.308 -9.715 704 H ILE 89 H ILE 89 7.216 3.439 -4.844 705 HA ILE 89 HA ILE 89 5.040 5.372 -4.692 706 HB ILE 89 HB ILE 89 4.374 3.449 -3.647 707 1HG1 ILE 89 1HG1 ILE 89 4.434 5.574 -2.143 708 2HG1 ILE 89 2HG1 ILE 89 4.008 4.024 -1.447 709 1HG2 ILE 89 1HG2 ILE 89 6.000 2.284 -1.948 710 2HG2 ILE 89 2HG2 ILE 89 6.141 1.981 -3.696 711 3HG2 ILE 89 3HG2 ILE 89 7.257 3.114 -2.898 712 1HD1 ILE 89 1HD1 ILE 89 6.926 4.555 -1.447 713 2HD1 ILE 89 2HD1 ILE 89 5.976 5.698 -0.469 714 3HD1 ILE 89 3HD1 ILE 89 5.881 3.952 -0.139 715 H GLU 90 H GLU 90 8.325 4.659 -3.383 716 HA GLU 90 HA GLU 90 8.324 6.987 -1.787 717 1HB GLU 90 1HB GLU 90 10.269 4.831 -2.515 718 2HB GLU 90 2HB GLU 90 10.965 6.350 -1.984 719 1HG GLU 90 1HG GLU 90 8.723 5.609 -0.258 720 2HG GLU 90 2HG GLU 90 9.876 4.292 -0.349 721 H ASN 91 H ASN 91 9.221 6.172 -5.124 722 HA ASN 91 HA ASN 91 9.920 8.975 -5.470 723 1HB ASN 91 1HB ASN 91 11.271 6.710 -7.012 724 2HB ASN 91 2HB ASN 91 11.749 8.395 -6.965 725 1HD2 ASN 91 1HD2 ASN 91 11.017 5.762 -4.676 726 2HD2 ASN 91 2HD2 ASN 91 12.378 5.997 -3.630 727 H ASN 92 H ASN 92 7.466 8.789 -6.057 728 HA ASN 92 HA ASN 92 6.671 7.253 -8.218 729 1HB ASN 92 1HB ASN 92 4.776 9.070 -8.317 730 2HB ASN 92 2HB ASN 92 4.916 8.109 -6.859 731 1HD2 ASN 92 1HD2 ASN 92 3.674 10.044 -6.111 732 2HD2 ASN 92 2HD2 ASN 92 4.558 11.381 -5.455 733 HA PRO 93 HA PRO 93 8.080 9.741 -11.544 734 1HB PRO 93 1HB PRO 93 6.330 9.072 -13.534 735 2HB PRO 93 2HB PRO 93 7.694 8.068 -13.079 736 1HG PRO 93 1HG PRO 93 4.824 7.671 -12.490 737 2HG PRO 93 2HG PRO 93 6.130 6.504 -12.426 738 1HD PRO 93 1HD PRO 93 4.879 7.805 -10.196 739 2HD PRO 93 2HD PRO 93 6.260 6.727 -10.142 740 H THR 94 H THR 94 4.715 9.994 -10.709 741 HA THR 94 HA THR 94 4.896 12.831 -11.467 742 HB THR 94 HB THR 94 3.577 11.481 -13.145 743 HG1 THR 94 1HG THR 94 3.075 13.751 -12.230 744 1HG2 THR 94 1HG2 THR 94 1.430 11.192 -11.029 745 2HG2 THR 94 2HG2 THR 94 1.624 10.302 -12.557 746 3HG2 THR 94 3HG2 THR 94 2.664 9.917 -11.166 747 H VAL 95 H VAL 95 5.364 13.554 -9.397 748 HA VAL 95 HA VAL 95 3.705 12.656 -7.220 749 HB VAL 95 HB VAL 95 6.168 13.150 -7.096 750 1HG1 VAL 95 1HG1 VAL 95 6.111 15.905 -6.513 751 2HG1 VAL 95 2HG1 VAL 95 6.912 15.101 -7.884 752 3HG1 VAL 95 3HG1 VAL 95 5.253 15.721 -8.060 753 1HG2 VAL 95 1HG2 VAL 95 5.991 13.547 -4.867 754 2HG2 VAL 95 2HG2 VAL 95 4.912 14.944 -5.086 755 3HG2 VAL 95 3HG2 VAL 95 4.259 13.292 -5.193 756 H LYS 96 H LYS 96 2.905 14.620 -5.711 757 HA LYS 96 HA LYS 96 1.979 16.905 -7.116 758 1HB LYS 96 1HB LYS 96 -0.460 16.375 -6.895 759 2HB LYS 96 2HB LYS 96 0.382 15.459 -8.129 760 1HG LYS 96 1HG LYS 96 0.481 13.482 -6.732 761 2HG LYS 96 2HG LYS 96 -0.011 14.375 -5.308 762 1HD LYS 96 1HD LYS 96 -2.213 14.898 -6.561 763 2HD LYS 96 2HD LYS 96 -1.713 13.707 -7.746 764 1HE LYS 96 1HE LYS 96 -2.752 12.191 -6.389 765 2HE LYS 96 2HE LYS 96 -1.315 12.306 -5.393 766 1HZ LYS 96 1HZ LYS 96 -3.291 14.350 -4.958 767 2HZ LYS 96 2HZ LYS 96 -3.732 12.842 -4.513 768 3HZ LYS 96 3HZ LYS 96 -2.390 13.522 -3.876 769 H ALA 97 H ALA 97 1.628 14.638 -4.336 770 HA ALA 97 HA ALA 97 0.471 16.199 -2.480 771 1HB ALA 97 1HB ALA 97 2.770 14.234 -2.331 772 2HB ALA 97 2HB ALA 97 2.118 15.006 -0.866 773 3HB ALA 97 3HB ALA 97 1.065 13.994 -1.883 774 H SER 98 H SER 98 0.774 18.390 -2.323 775 HA SER 98 HA SER 98 3.061 19.727 -2.886 776 1HB SER 98 1HB SER 98 1.029 20.498 -0.747 777 2HB SER 98 2HB SER 98 2.102 21.596 -1.592 778 HG SER 98 HG SER 98 -0.229 21.324 -2.381 779 H GLY 99 H GLY 99 1.861 18.765 0.417 780 1HA GLY 99 1HA GLY 99 4.520 19.287 1.521 781 2HA GLY 99 2HA GLY 99 3.037 18.982 2.408 782 H TYR 100 H TYR 100 5.922 17.595 1.051 783 HA TYR 100 HA TYR 100 4.954 14.923 1.814 784 1HB TYR 100 1HB TYR 100 5.567 14.364 -0.356 785 2HB TYR 100 2HB TYR 100 6.000 16.036 -0.655 786 HD1 TYR 100 1HD TYR 100 7.474 13.158 1.272 787 HD2 TYR 100 2HD TYR 100 8.122 16.333 -1.521 788 HE1 TYR 100 1HE TYR 100 9.921 12.495 1.075 789 HE2 TYR 100 2HE TYR 100 10.567 15.661 -1.709 790 HH TYR 100 HH TYR 100 11.923 13.709 -1.385 Start of MODEL 6 1 H MET 1 H MET 1 16.458 11.881 14.440 2 HA MET 1 HA MET 1 14.597 12.114 16.370 3 1HB MET 1 1HB MET 1 16.587 13.513 17.433 4 2HB MET 1 2HB MET 1 16.135 14.749 16.275 5 1HG MET 1 1HG MET 1 14.766 15.401 18.033 6 2HG MET 1 2HG MET 1 13.670 14.278 17.251 7 1HE MET 1 1HE MET 1 13.707 11.192 18.776 8 2HE MET 1 2HE MET 1 12.518 12.251 19.573 9 3HE MET 1 3HE MET 1 12.888 12.469 17.845 10 H SER 2 H SER 2 12.719 12.916 15.430 11 HA SER 2 HA SER 2 12.912 14.898 13.400 12 1HB SER 2 1HB SER 2 12.413 12.006 12.724 13 2HB SER 2 2HB SER 2 11.505 13.219 11.845 14 HG SER 2 HG SER 2 14.306 13.651 12.107 15 H ARG 3 H ARG 3 10.538 15.246 12.438 16 HA ARG 3 HA ARG 3 8.918 15.875 14.506 17 1HB ARG 3 1HB ARG 3 7.125 16.149 12.800 18 2HB ARG 3 2HB ARG 3 8.654 16.762 12.202 19 1HG ARG 3 1HG ARG 3 8.450 13.933 11.562 20 2HG ARG 3 2HG ARG 3 6.995 14.746 11.027 21 1HD ARG 3 1HD ARG 3 8.296 16.368 9.724 22 2HD ARG 3 2HD ARG 3 9.802 15.764 10.388 23 HE ARG 3 HE ARG 3 8.242 13.675 9.064 24 1HH1 ARG 3 2HH2 ARG 3 10.561 16.273 8.555 25 2HH1 ARG 3 1HH2 ARG 3 11.185 15.600 7.085 26 1HH2 ARG 3 2HH1 ARG 3 9.063 12.788 7.126 27 2HH2 ARG 3 1HH1 ARG 3 10.325 13.604 6.267 28 H SER 4 H SER 4 6.754 14.979 15.170 29 HA SER 4 HA SER 4 6.851 12.074 15.046 30 1HB SER 4 1HB SER 4 5.302 12.256 17.084 31 2HB SER 4 2HB SER 4 6.960 12.775 17.319 32 HG SER 4 HG SER 4 4.857 14.193 17.914 33 H ASN 5 H ASN 5 5.050 10.898 14.291 34 HA ASN 5 HA ASN 5 2.876 12.574 13.306 35 1HB ASN 5 1HB ASN 5 2.771 11.280 11.347 36 2HB ASN 5 2HB ASN 5 4.491 11.202 11.675 37 1HD2 ASN 5 1HD2 ASN 5 5.171 9.404 13.180 38 2HD2 ASN 5 2HD2 ASN 5 4.473 7.840 12.925 39 H ARG 6 H ARG 6 1.032 10.529 12.659 40 HA ARG 6 HA ARG 6 0.128 9.840 15.224 41 1HB ARG 6 1HB ARG 6 -1.778 8.818 14.030 42 2HB ARG 6 2HB ARG 6 -1.394 10.369 13.309 43 1HG ARG 6 1HG ARG 6 0.188 8.851 11.745 44 2HG ARG 6 2HG ARG 6 -0.947 7.598 12.207 45 1HD ARG 6 1HD ARG 6 -2.070 8.425 10.349 46 2HD ARG 6 2HD ARG 6 -2.762 9.476 11.568 47 HE ARG 6 HE ARG 6 -0.316 10.626 10.557 48 1HH1 ARG 6 2HH2 ARG 6 -3.679 10.080 9.681 49 2HH1 ARG 6 1HH2 ARG 6 -3.751 11.435 8.605 50 1HH2 ARG 6 2HH1 ARG 6 -0.409 12.413 9.138 51 2HH2 ARG 6 1HH1 ARG 6 -1.879 12.771 8.294 52 H GLN 7 H GLN 7 -0.426 7.563 15.929 53 HA GLN 7 HA GLN 7 1.798 5.937 15.759 54 1HB GLN 7 1HB GLN 7 0.345 4.241 16.908 55 2HB GLN 7 2HB GLN 7 0.300 5.820 17.664 56 1HG GLN 7 1HG GLN 7 -1.749 5.214 15.532 57 2HG GLN 7 2HG GLN 7 -1.953 4.466 17.105 58 1HE2 GLN 7 1HE2 GLN 7 -2.156 7.323 15.239 59 2HE2 GLN 7 2HE2 GLN 7 -2.723 8.415 16.457 60 H LYS 8 H LYS 8 -0.573 3.638 15.391 61 HA LYS 8 HA LYS 8 0.354 3.001 12.743 62 1HB LYS 8 1HB LYS 8 -0.183 0.887 13.275 63 2HB LYS 8 2HB LYS 8 -0.272 1.495 14.915 64 1HG LYS 8 1HG LYS 8 -2.577 1.091 12.965 65 2HG LYS 8 2HG LYS 8 -2.320 0.275 14.493 66 1HD LYS 8 1HD LYS 8 -2.346 3.147 14.943 67 2HD LYS 8 2HD LYS 8 -3.769 2.700 14.023 68 1HE LYS 8 1HE LYS 8 -4.678 1.466 15.753 69 2HE LYS 8 2HE LYS 8 -3.120 0.873 16.295 70 1HZ LYS 8 1HZ LYS 8 -3.747 3.694 16.631 71 2HZ LYS 8 2HZ LYS 8 -4.381 2.610 17.674 72 3HZ LYS 8 3HZ LYS 8 -2.761 2.745 17.520 73 H GLU 9 H GLU 9 -1.588 5.366 13.590 74 HA GLU 9 HA GLU 9 -4.056 4.866 12.534 75 1HB GLU 9 1HB GLU 9 -2.500 7.164 13.353 76 2HB GLU 9 2HB GLU 9 -3.335 7.560 11.863 77 1HG GLU 9 1HG GLU 9 -4.621 7.992 14.063 78 2HG GLU 9 2HG GLU 9 -5.485 7.131 12.805 79 H TYR 10 H TYR 10 -4.946 4.780 10.469 80 HA TYR 10 HA TYR 10 -3.299 5.616 8.226 81 1HB TYR 10 1HB TYR 10 -3.371 3.380 7.252 82 2HB TYR 10 2HB TYR 10 -2.897 3.125 8.920 83 HD1 TYR 10 1HD TYR 10 -5.026 2.006 6.388 84 HD2 TYR 10 2HD TYR 10 -4.998 2.805 10.590 85 HE1 TYR 10 1HE TYR 10 -6.989 0.423 6.709 86 HE2 TYR 10 2HE TYR 10 -6.962 1.219 10.899 87 HH TYR 10 HH TYR 10 -7.782 -0.938 9.398 88 H LYS 11 H LYS 11 -4.581 6.797 6.904 89 HA LYS 11 HA LYS 11 -7.387 5.968 6.699 90 1HB LYS 11 1HB LYS 11 -6.263 8.605 7.493 91 2HB LYS 11 2HB LYS 11 -7.602 8.638 6.364 92 1HG LYS 11 1HG LYS 11 -8.501 6.757 8.179 93 2HG LYS 11 2HG LYS 11 -7.556 7.800 9.224 94 1HD LYS 11 1HD LYS 11 -9.746 8.752 9.237 95 2HD LYS 11 2HD LYS 11 -8.815 9.790 8.176 96 1HE LYS 11 1HE LYS 11 -9.673 8.237 6.241 97 2HE LYS 11 2HE LYS 11 -10.852 7.668 7.405 98 1HZ LYS 11 1HZ LYS 11 -10.521 10.375 6.359 99 2HZ LYS 11 2HZ LYS 11 -11.861 9.442 6.367 100 3HZ LYS 11 3HZ LYS 11 -11.327 10.115 7.756 101 H CYS 12 H CYS 12 -8.390 7.205 4.671 102 HA CYS 12 HA CYS 12 -7.271 6.163 2.449 103 1HB CYS 12 1HB CYS 12 -9.545 7.513 2.933 104 2HB CYS 12 2HB CYS 12 -8.662 8.785 2.110 105 HG CYS 12 HG CYS 12 -8.416 7.795 -0.108 106 H GLY 13 H GLY 13 -5.762 6.871 0.859 107 1HA GLY 13 1HA GLY 13 -4.247 8.277 -0.125 108 2HA GLY 13 2HA GLY 13 -4.556 9.497 1.093 109 H ASP 14 H ASP 14 -4.198 6.700 2.863 110 HA ASP 14 HA ASP 14 -1.511 7.440 3.524 111 1HB ASP 14 1HB ASP 14 -3.190 6.947 5.296 112 2HB ASP 14 2HB ASP 14 -3.394 5.324 4.670 113 H LEU 15 H LEU 15 0.326 6.022 3.260 114 HA LEU 15 HA LEU 15 -0.182 3.763 1.466 115 1HB LEU 15 1HB LEU 15 1.230 5.286 0.412 116 2HB LEU 15 2HB LEU 15 2.135 5.623 1.874 117 HG LEU 15 HG LEU 15 3.290 4.257 0.059 118 1HD1 LEU 15 1HD1 LEU 15 3.847 4.456 2.599 119 2HD1 LEU 15 2HD1 LEU 15 3.300 2.763 2.661 120 3HD1 LEU 15 3HD1 LEU 15 4.656 3.222 1.603 121 1HD2 LEU 15 1HD2 LEU 15 0.999 2.666 0.287 122 2HD2 LEU 15 2HD2 LEU 15 2.477 2.314 -0.642 123 3HD2 LEU 15 3HD2 LEU 15 2.308 1.711 1.024 124 H VAL 16 H VAL 16 0.574 1.686 1.954 125 HA VAL 16 HA VAL 16 2.141 1.294 4.330 126 HB VAL 16 HB VAL 16 0.200 -0.409 5.018 127 1HG1 VAL 16 1HG1 VAL 16 0.140 2.518 5.819 128 2HG1 VAL 16 2HG1 VAL 16 -0.393 1.119 6.782 129 3HG1 VAL 16 3HG1 VAL 16 1.334 1.338 6.413 130 1HG2 VAL 16 1HG2 VAL 16 -1.999 0.509 4.756 131 2HG2 VAL 16 2HG2 VAL 16 -1.359 1.979 3.986 132 3HG2 VAL 16 3HG2 VAL 16 -1.260 0.416 3.140 133 H PHE 17 H PHE 17 2.164 -1.321 4.681 134 HA PHE 17 HA PHE 17 2.917 -2.303 2.056 135 1HB PHE 17 1HB PHE 17 3.498 -2.781 4.961 136 2HB PHE 17 2HB PHE 17 3.451 -4.253 4.010 137 HD1 PHE 17 1HD PHE 17 5.503 -1.650 5.128 138 HD2 PHE 17 2HD PHE 17 4.849 -4.141 1.756 139 HE1 PHE 17 1HE PHE 17 7.855 -1.228 4.359 140 HE2 PHE 17 2HE PHE 17 7.201 -3.719 0.986 141 HZ PHE 17 HZ PHE 17 8.676 -2.267 2.299 142 H ALA 18 H ALA 18 1.487 -3.461 0.862 143 HA ALA 18 HA ALA 18 -0.527 -5.006 2.345 144 1HB ALA 18 1HB ALA 18 -0.883 -4.312 -0.544 145 2HB ALA 18 2HB ALA 18 -2.086 -4.413 0.764 146 3HB ALA 18 3HB ALA 18 -1.027 -2.988 0.637 147 H LYS 19 H LYS 19 -0.565 -7.204 2.075 148 HA LYS 19 HA LYS 19 1.176 -8.262 -0.043 149 1HB LYS 19 1HB LYS 19 2.335 -9.438 1.447 150 2HB LYS 19 2HB LYS 19 1.562 -8.494 2.704 151 1HG LYS 19 1HG LYS 19 -0.410 -10.225 2.483 152 2HG LYS 19 2HG LYS 19 0.759 -11.224 1.643 153 1HD LYS 19 1HD LYS 19 2.187 -10.380 3.895 154 2HD LYS 19 2HD LYS 19 0.563 -10.579 4.526 155 1HE LYS 19 1HE LYS 19 0.617 -12.862 4.303 156 2HE LYS 19 2HE LYS 19 1.392 -12.790 2.732 157 1HZ LYS 19 1HZ LYS 19 3.354 -13.079 3.670 158 2HZ LYS 19 2HZ LYS 19 3.118 -11.921 4.797 159 3HZ LYS 19 3HZ LYS 19 2.587 -13.442 5.067 160 H MET 20 H MET 20 0.500 -10.362 -0.937 161 HA MET 20 HA MET 20 -2.323 -10.883 -0.460 162 1HB MET 20 1HB MET 20 -1.642 -9.512 -2.644 163 2HB MET 20 2HB MET 20 -1.085 -11.062 -3.240 164 1HG MET 20 1HG MET 20 -3.210 -11.689 -3.738 165 2HG MET 20 2HG MET 20 -3.720 -11.424 -2.082 166 1HE MET 20 1HE MET 20 -5.682 -9.501 -5.226 167 2HE MET 20 2HE MET 20 -4.900 -11.088 -5.024 168 3HE MET 20 3HE MET 20 -6.180 -10.576 -3.898 169 H LYS 21 H LYS 21 -2.993 -13.100 -1.406 170 HA LYS 21 HA LYS 21 -1.353 -15.061 -0.335 171 1HB LYS 21 1HB LYS 21 -3.813 -15.212 -0.695 172 2HB LYS 21 2HB LYS 21 -3.536 -15.375 -2.417 173 1HG LYS 21 1HG LYS 21 -3.349 -17.611 -2.073 174 2HG LYS 21 2HG LYS 21 -1.805 -17.287 -1.312 175 1HD LYS 21 1HD LYS 21 -3.239 -16.803 0.850 176 2HD LYS 21 2HD LYS 21 -4.513 -17.663 0.009 177 1HE LYS 21 1HE LYS 21 -1.825 -18.992 0.015 178 2HE LYS 21 2HE LYS 21 -2.634 -18.899 1.567 179 1HZ LYS 21 1HZ LYS 21 -3.436 -20.822 0.640 180 2HZ LYS 21 2HZ LYS 21 -4.631 -19.769 0.278 181 3HZ LYS 21 3HZ LYS 21 -3.556 -20.209 -0.870 182 H GLY 22 H GLY 22 0.565 -15.845 -1.003 183 1HA GLY 22 1HA GLY 22 2.015 -16.828 -2.481 184 2HA GLY 22 2HA GLY 22 0.991 -16.368 -3.826 185 H TYR 23 H TYR 23 0.895 -13.503 -2.498 186 HA TYR 23 HA TYR 23 3.391 -12.631 -3.763 187 1HB TYR 23 1HB TYR 23 0.786 -11.935 -4.207 188 2HB TYR 23 2HB TYR 23 1.077 -10.873 -2.844 189 HD1 TYR 23 1HD TYR 23 2.073 -8.773 -3.172 190 HD2 TYR 23 2HD TYR 23 2.432 -11.756 -6.216 191 HE1 TYR 23 1HE TYR 23 3.120 -7.062 -4.735 192 HE2 TYR 23 2HE TYR 23 3.477 -10.037 -7.769 193 HH TYR 23 HH TYR 23 4.350 -8.032 -7.904 194 HA PRO 24 HA PRO 24 4.814 -11.489 0.186 195 1HB PRO 24 1HB PRO 24 7.124 -10.238 -0.571 196 2HB PRO 24 2HB PRO 24 6.992 -11.977 -0.383 197 1HG PRO 24 1HG PRO 24 7.097 -10.384 -2.871 198 2HG PRO 24 2HG PRO 24 7.392 -12.097 -2.651 199 1HD PRO 24 1HD PRO 24 5.029 -10.888 -3.740 200 2HD PRO 24 2HD PRO 24 5.278 -12.591 -3.411 201 H HIS 25 H HIS 25 5.089 -9.716 1.639 202 HA HIS 25 HA HIS 25 3.308 -7.742 1.283 203 1HB HIS 25 1HB HIS 25 5.493 -8.310 3.058 204 2HB HIS 25 2HB HIS 25 5.499 -6.595 2.697 205 HD1 HIS 25 1HD HIS 25 2.395 -6.141 2.506 206 HD2 HIS 25 2HD HIS 25 4.339 -8.260 5.559 207 HE1 HIS 25 1HE HIS 25 0.833 -6.083 4.522 208 H TRP 26 H TRP 26 3.033 -6.332 -0.369 209 HA TRP 26 HA TRP 26 5.473 -5.172 -1.532 210 1HB TRP 26 1HB TRP 26 3.325 -6.557 -2.757 211 2HB TRP 26 2HB TRP 26 3.175 -4.874 -3.220 212 HD1 TRP 26 HD TRP 26 4.362 -4.537 -5.513 213 HE1 TRP 26 1HE TRP 26 6.549 -5.336 -6.756 214 HE3 TRP 26 3HE TRP 26 5.989 -7.595 -1.792 215 HZ2 TRP 26 2HZ TRP 26 8.667 -7.118 -6.056 216 HZ3 TRP 26 3HZ TRP 26 8.125 -8.828 -2.152 217 HH2 TRP 26 HH TRP 26 9.451 -8.627 -4.195 218 HA PRO 27 HA PRO 27 3.900 -1.345 -0.217 219 1HB PRO 27 1HB PRO 27 5.057 0.383 -1.989 220 2HB PRO 27 2HB PRO 27 5.907 -0.289 -0.612 221 1HG PRO 27 1HG PRO 27 6.152 -1.002 -3.470 222 2HG PRO 27 2HG PRO 27 7.261 -1.339 -2.155 223 1HD PRO 27 1HD PRO 27 5.443 -3.187 -3.385 224 2HD PRO 27 2HD PRO 27 6.468 -3.491 -1.996 225 H ALA 28 H ALA 28 1.718 -1.249 -0.287 226 HA ALA 28 HA ALA 28 0.707 -0.283 -2.874 227 1HB ALA 28 1HB ALA 28 -1.055 -1.778 -2.807 228 2HB ALA 28 2HB ALA 28 0.201 -2.755 -2.009 229 3HB ALA 28 3HB ALA 28 -1.021 -1.906 -1.032 230 H ARG 29 H ARG 29 -1.039 1.255 -2.752 231 HA ARG 29 HA ARG 29 -0.913 2.724 -0.283 232 1HB ARG 29 1HB ARG 29 -0.791 3.620 -2.816 233 2HB ARG 29 2HB ARG 29 -2.536 3.629 -2.669 234 1HG ARG 29 1HG ARG 29 -1.568 4.801 -0.260 235 2HG ARG 29 2HG ARG 29 -0.589 5.489 -1.540 236 1HD ARG 29 1HD ARG 29 -3.603 5.333 -1.866 237 2HD ARG 29 2HD ARG 29 -2.895 6.624 -0.914 238 HE ARG 29 HE ARG 29 -1.403 6.686 -3.243 239 1HH1 ARG 29 2HH2 ARG 29 -4.856 6.766 -2.571 240 2HH1 ARG 29 1HH2 ARG 29 -5.238 7.705 -3.976 241 1HH2 ARG 29 2HH1 ARG 29 -1.905 7.925 -5.096 242 2HH2 ARG 29 1HH1 ARG 29 -3.548 8.369 -5.422 243 H ILE 30 H ILE 30 -3.025 3.682 0.604 244 HA ILE 30 HA ILE 30 -5.000 1.568 0.684 245 HB ILE 30 HB ILE 30 -3.921 3.199 2.575 246 1HG1 ILE 30 1HG1 ILE 30 -5.040 1.057 2.950 247 2HG1 ILE 30 2HG1 ILE 30 -5.599 2.277 4.076 248 1HG2 ILE 30 1HG2 ILE 30 -5.017 5.201 1.875 249 2HG2 ILE 30 2HG2 ILE 30 -6.595 4.381 1.795 250 3HG2 ILE 30 3HG2 ILE 30 -5.808 4.642 3.368 251 1HD1 ILE 30 1HD1 ILE 30 -7.701 1.699 3.433 252 2HD1 ILE 30 2HD1 ILE 30 -7.359 2.574 1.921 253 3HD1 ILE 30 3HD1 ILE 30 -7.101 0.814 2.010 254 H ASP 31 H ASP 31 -7.210 1.819 0.122 255 HA ASP 31 HA ASP 31 -8.001 4.302 -1.045 256 1HB ASP 31 1HB ASP 31 -7.419 1.826 -2.664 257 2HB ASP 31 2HB ASP 31 -8.833 2.761 -3.110 258 H GLU 32 H GLU 32 -10.392 4.332 -1.358 259 HA GLU 32 HA GLU 32 -11.649 2.356 0.318 260 1HB GLU 32 1HB GLU 32 -11.998 5.113 -0.057 261 2HB GLU 32 2HB GLU 32 -13.400 4.420 -0.847 262 1HG GLU 32 1HG GLU 32 -13.582 2.937 1.339 263 2HG GLU 32 2HG GLU 32 -12.545 4.157 2.051 264 H MET 33 H MET 33 -13.376 0.983 -0.354 265 HA MET 33 HA MET 33 -13.202 0.224 -3.064 266 1HB MET 33 1HB MET 33 -14.915 -1.475 -2.370 267 2HB MET 33 2HB MET 33 -13.606 -1.395 -1.208 268 1HG MET 33 1HG MET 33 -15.836 0.495 -0.643 269 2HG MET 33 2HG MET 33 -16.299 -1.193 -0.574 270 1HE MET 33 1HE MET 33 -16.070 -0.294 2.967 271 2HE MET 33 2HE MET 33 -15.332 1.216 2.381 272 3HE MET 33 3HE MET 33 -16.701 0.493 1.501 273 HA PRO 34 HA PRO 34 -16.488 2.580 -4.650 274 1HB PRO 34 1HB PRO 34 -17.043 1.194 -6.939 275 2HB PRO 34 2HB PRO 34 -15.718 2.332 -6.806 276 1HG PRO 34 1HG PRO 34 -15.627 -0.622 -6.836 277 2HG PRO 34 2HG PRO 34 -14.330 0.519 -7.131 278 1HD PRO 34 1HD PRO 34 -14.768 -1.004 -4.739 279 2HD PRO 34 2HD PRO 34 -13.541 0.222 -4.993 280 H GLU 35 H GLU 35 -18.800 2.620 -5.319 281 HA GLU 35 HA GLU 35 -20.124 0.235 -4.343 282 1HB GLU 35 1HB GLU 35 -21.636 1.510 -2.911 283 2HB GLU 35 2HB GLU 35 -19.982 1.833 -2.429 284 1HG GLU 35 1HG GLU 35 -20.048 3.920 -3.906 285 2HG GLU 35 2HG GLU 35 -21.758 3.624 -4.148 286 H ALA 36 H ALA 36 -19.586 1.473 -7.023 287 HA ALA 36 HA ALA 36 -22.375 2.026 -7.779 288 1HB ALA 36 1HB ALA 36 -20.143 2.868 -9.565 289 2HB ALA 36 2HB ALA 36 -21.666 3.698 -9.166 290 3HB ALA 36 3HB ALA 36 -20.298 3.754 -8.029 291 H ALA 37 H ALA 37 -19.218 0.560 -8.786 292 HA ALA 37 HA ALA 37 -20.425 -0.865 -10.938 293 1HB ALA 37 1HB ALA 37 -17.960 -2.055 -10.241 294 2HB ALA 37 2HB ALA 37 -18.249 -0.831 -11.502 295 3HB ALA 37 3HB ALA 37 -17.779 -0.326 -9.861 296 H VAL 38 H VAL 38 -19.263 -1.685 -7.604 297 HA VAL 38 HA VAL 38 -21.142 -3.906 -7.622 298 HB VAL 38 HB VAL 38 -19.444 -5.439 -6.747 299 1HG1 VAL 38 1HG1 VAL 38 -19.992 -5.007 -9.296 300 2HG1 VAL 38 2HG1 VAL 38 -18.296 -4.466 -9.343 301 3HG1 VAL 38 3HG1 VAL 38 -18.689 -6.120 -8.815 302 1HG2 VAL 38 1HG2 VAL 38 -17.303 -3.490 -7.604 303 2HG2 VAL 38 2HG2 VAL 38 -17.941 -3.501 -5.943 304 3HG2 VAL 38 3HG2 VAL 38 -17.153 -4.954 -6.603 305 H LYS 39 H LYS 39 -20.955 -4.951 -5.220 306 HA LYS 39 HA LYS 39 -21.064 -2.622 -3.441 307 1HB LYS 39 1HB LYS 39 -22.523 -5.276 -3.369 308 2HB LYS 39 2HB LYS 39 -22.547 -4.120 -2.052 309 1HG LYS 39 1HG LYS 39 -24.149 -2.909 -3.099 310 2HG LYS 39 2HG LYS 39 -23.106 -2.680 -4.489 311 1HD LYS 39 1HD LYS 39 -24.247 -5.406 -4.370 312 2HD LYS 39 2HD LYS 39 -25.482 -4.166 -4.442 313 1HE LYS 39 1HE LYS 39 -24.491 -3.206 -6.475 314 2HE LYS 39 2HE LYS 39 -23.107 -4.274 -6.359 315 1HZ LYS 39 1HZ LYS 39 -24.424 -5.402 -7.790 316 2HZ LYS 39 2HZ LYS 39 -24.952 -6.074 -6.399 317 3HZ LYS 39 3HZ LYS 39 -25.831 -4.905 -7.126 318 H SER 40 H SER 40 -20.316 -2.950 -1.187 319 HA SER 40 HA SER 40 -17.921 -4.553 -1.262 320 1HB SER 40 1HB SER 40 -17.093 -3.170 0.448 321 2HB SER 40 2HB SER 40 -18.089 -2.069 -0.481 322 HG SER 40 HG SER 40 -19.856 -2.828 1.150 323 H THR 41 H THR 41 -17.330 -5.727 0.896 324 HA THR 41 HA THR 41 -19.772 -6.940 2.016 325 HB THR 41 HB THR 41 -18.413 -9.062 2.089 326 HG1 THR 41 1HG THR 41 -16.341 -7.851 2.108 327 1HG2 THR 41 1HG2 THR 41 -18.251 -9.479 -0.361 328 2HG2 THR 41 2HG2 THR 41 -19.774 -8.640 0.019 329 3HG2 THR 41 3HG2 THR 41 -18.408 -7.733 -0.674 330 H ALA 42 H ALA 42 -18.709 -8.426 4.046 331 HA ALA 42 HA ALA 42 -18.297 -6.452 5.995 332 1HB ALA 42 1HB ALA 42 -18.993 -8.208 7.209 333 2HB ALA 42 2HB ALA 42 -18.758 -9.293 5.818 334 3HB ALA 42 3HB ALA 42 -17.416 -8.991 6.949 335 H ASN 43 H ASN 43 -16.457 -5.582 6.899 336 HA ASN 43 HA ASN 43 -14.384 -4.881 6.843 337 1HB ASN 43 1HB ASN 43 -12.672 -6.786 7.309 338 2HB ASN 43 2HB ASN 43 -13.998 -6.624 8.443 339 1HD2 ASN 43 1HD2 ASN 43 -12.446 -8.575 6.104 340 2HD2 ASN 43 2HD2 ASN 43 -13.482 -9.961 6.161 341 H LYS 44 H LYS 44 -14.398 -4.151 4.550 342 HA LYS 44 HA LYS 44 -12.515 -5.674 2.951 343 1HB LYS 44 1HB LYS 44 -14.528 -6.605 2.111 344 2HB LYS 44 2HB LYS 44 -15.346 -5.055 2.097 345 1HG LYS 44 1HG LYS 44 -13.623 -4.260 0.380 346 2HG LYS 44 2HG LYS 44 -13.020 -5.903 0.309 347 1HD LYS 44 1HD LYS 44 -15.278 -6.713 -0.382 348 2HD LYS 44 2HD LYS 44 -15.901 -5.078 -0.286 349 1HE LYS 44 1HE LYS 44 -15.271 -4.772 -2.444 350 2HE LYS 44 2HE LYS 44 -13.599 -4.859 -1.922 351 1HZ LYS 44 1HZ LYS 44 -14.862 -7.407 -2.173 352 2HZ LYS 44 2HZ LYS 44 -14.769 -6.587 -3.583 353 3HZ LYS 44 3HZ LYS 44 -13.412 -6.905 -2.730 354 H TYR 45 H TYR 45 -11.021 -4.332 2.062 355 HA TYR 45 HA TYR 45 -11.793 -1.523 1.719 356 1HB TYR 45 1HB TYR 45 -9.990 -2.776 3.642 357 2HB TYR 45 2HB TYR 45 -8.997 -1.892 2.500 358 HD1 TYR 45 1HD TYR 45 -8.219 -0.216 4.029 359 HD2 TYR 45 2HD TYR 45 -12.415 -0.838 3.477 360 HE1 TYR 45 1HE TYR 45 -8.710 1.943 5.278 361 HE2 TYR 45 2HE TYR 45 -12.893 1.323 4.726 362 HH TYR 45 HH TYR 45 -11.835 2.731 6.355 363 H GLN 46 H GLN 46 -10.544 -0.370 0.108 364 HA GLN 46 HA GLN 46 -9.560 -2.201 -1.888 365 1HB GLN 46 1HB GLN 46 -11.236 -0.262 -2.303 366 2HB GLN 46 2HB GLN 46 -9.856 0.810 -2.177 367 1HG GLN 46 1HG GLN 46 -8.876 0.026 -4.149 368 2HG GLN 46 2HG GLN 46 -9.584 -1.571 -4.000 369 1HE2 GLN 46 1HE2 GLN 46 -10.907 1.739 -3.968 370 2HE2 GLN 46 2HE2 GLN 46 -12.069 1.523 -5.235 371 H VAL 47 H VAL 47 -7.436 -2.155 -2.757 372 HA VAL 47 HA VAL 47 -5.579 -0.295 -1.478 373 HB VAL 47 HB VAL 47 -5.635 -3.257 -1.295 374 1HG1 VAL 47 1HG1 VAL 47 -3.059 -3.097 -0.877 375 2HG1 VAL 47 2HG1 VAL 47 -3.673 -3.266 -2.539 376 3HG1 VAL 47 3HG1 VAL 47 -3.159 -1.671 -1.939 377 1HG2 VAL 47 1HG2 VAL 47 -4.248 -1.288 0.527 378 2HG2 VAL 47 2HG2 VAL 47 -6.011 -1.530 0.583 379 3HG2 VAL 47 3HG2 VAL 47 -4.914 -2.894 0.909 380 H PHE 48 H PHE 48 -3.772 0.265 -2.784 381 HA PHE 48 HA PHE 48 -4.027 -0.685 -5.552 382 1HB PHE 48 1HB PHE 48 -4.333 1.887 -4.454 383 2HB PHE 48 2HB PHE 48 -2.647 1.903 -4.932 384 HD1 PHE 48 1HD PHE 48 -4.930 3.598 -6.057 385 HD2 PHE 48 2HD PHE 48 -3.187 -0.050 -7.344 386 HE1 PHE 48 1HE PHE 48 -5.606 4.109 -8.420 387 HE2 PHE 48 2HE PHE 48 -3.862 0.460 -9.707 388 HZ PHE 48 HZ PHE 48 -5.064 2.534 -10.216 389 H PHE 49 H PHE 49 -2.402 -2.140 -5.905 390 HA PHE 49 HA PHE 49 0.052 -1.947 -4.458 391 1HB PHE 49 1HB PHE 49 -1.257 -3.660 -6.602 392 2HB PHE 49 2HB PHE 49 0.480 -3.800 -6.416 393 HD1 PHE 49 1HD PHE 49 -2.131 -3.331 -3.800 394 HD2 PHE 49 2HD PHE 49 0.811 -5.895 -5.468 395 HE1 PHE 49 1HE PHE 49 -2.464 -4.944 -1.906 396 HE2 PHE 49 2HE PHE 49 0.479 -7.508 -3.572 397 HZ PHE 49 HZ PHE 49 -1.155 -7.012 -1.815 398 H PHE 50 H PHE 50 1.921 -0.934 -5.050 399 HA PHE 50 HA PHE 50 1.897 0.570 -7.491 400 1HB PHE 50 1HB PHE 50 3.639 0.166 -5.027 401 2HB PHE 50 2HB PHE 50 4.371 0.937 -6.420 402 HD1 PHE 50 1HD PHE 50 2.163 1.358 -3.608 403 HD2 PHE 50 2HD PHE 50 3.394 3.083 -7.283 404 HE1 PHE 50 1HE PHE 50 1.194 3.562 -2.898 405 HE2 PHE 50 2HE PHE 50 2.425 5.286 -6.574 406 HZ PHE 50 HZ PHE 50 1.337 5.500 -4.390 407 H GLY 51 H GLY 51 4.104 -1.926 -6.021 408 1HA GLY 51 1HA GLY 51 5.910 -2.318 -7.957 409 2HA GLY 51 2HA GLY 51 5.205 -3.631 -7.036 410 H THR 52 H THR 52 2.564 -3.740 -7.946 411 HA THR 52 HA THR 52 3.006 -4.689 -10.668 412 HB THR 52 HB THR 52 0.520 -5.532 -10.030 413 HG1 THR 52 1HG THR 52 1.838 -5.441 -7.460 414 1HG2 THR 52 1HG2 THR 52 1.671 -7.381 -8.556 415 2HG2 THR 52 2HG2 THR 52 2.163 -7.253 -10.263 416 3HG2 THR 52 3HG2 THR 52 3.191 -6.559 -8.987 417 H HIS 53 H HIS 53 1.332 -2.141 -8.861 418 HA HIS 53 HA HIS 53 0.389 -0.289 -9.590 419 1HB HIS 53 1HB HIS 53 2.149 -0.460 -11.435 420 2HB HIS 53 2HB HIS 53 0.888 -1.128 -12.451 421 HD1 HIS 53 1HD HIS 53 1.073 1.949 -10.144 422 HD2 HIS 53 2HD HIS 53 -0.144 0.849 -14.004 423 HE1 HIS 53 1HE HIS 53 0.170 4.069 -11.240 424 H GLU 54 H GLU 54 -1.084 -2.640 -8.934 425 HA GLU 54 HA GLU 54 -3.400 -2.168 -10.633 426 1HB GLU 54 1HB GLU 54 -2.331 -4.854 -9.676 427 2HB GLU 54 2HB GLU 54 -3.972 -4.647 -10.260 428 1HG GLU 54 1HG GLU 54 -2.366 -3.380 -12.215 429 2HG GLU 54 2HG GLU 54 -1.468 -4.823 -11.784 430 H THR 55 H THR 55 -5.474 -2.368 -9.536 431 HA THR 55 HA THR 55 -5.201 -1.928 -6.659 432 HB THR 55 HB THR 55 -7.295 -1.305 -8.787 433 HG1 THR 55 1HG THR 55 -6.627 0.805 -8.098 434 1HG2 THR 55 1HG2 THR 55 -7.628 -0.394 -5.935 435 2HG2 THR 55 2HG2 THR 55 -8.867 -0.679 -7.180 436 3HG2 THR 55 3HG2 THR 55 -8.142 -2.055 -6.315 437 H ALA 56 H ALA 56 -5.361 -3.625 -5.343 438 HA ALA 56 HA ALA 56 -7.254 -5.727 -6.148 439 1HB ALA 56 1HB ALA 56 -4.602 -6.073 -5.952 440 2HB ALA 56 2HB ALA 56 -5.017 -6.274 -4.232 441 3HB ALA 56 3HB ALA 56 -5.757 -7.334 -5.455 442 H PHE 57 H PHE 57 -8.607 -6.616 -4.494 443 HA PHE 57 HA PHE 57 -9.164 -4.703 -2.415 444 1HB PHE 57 1HB PHE 57 -11.221 -5.941 -2.291 445 2HB PHE 57 2HB PHE 57 -10.776 -6.112 -3.976 446 HD1 PHE 57 1HD PHE 57 -10.806 -7.833 -0.713 447 HD2 PHE 57 2HD PHE 57 -10.251 -8.240 -4.900 448 HE1 PHE 57 1HE PHE 57 -10.875 -10.332 -0.479 449 HE2 PHE 57 2HE PHE 57 -10.321 -10.738 -4.667 450 HZ PHE 57 HZ PHE 57 -10.633 -11.754 -2.458 451 H LEU 58 H LEU 58 -8.369 -4.807 -0.371 452 HA LEU 58 HA LEU 58 -7.803 -7.443 0.730 453 1HB LEU 58 1HB LEU 58 -5.804 -5.200 0.472 454 2HB LEU 58 2HB LEU 58 -5.640 -6.482 1.655 455 HG LEU 58 HG LEU 58 -5.767 -6.889 -1.346 456 1HD1 LEU 58 1HD1 LEU 58 -3.660 -5.849 0.083 457 2HD1 LEU 58 2HD1 LEU 58 -3.283 -7.588 0.039 458 3HD1 LEU 58 3HD1 LEU 58 -3.546 -6.695 -1.478 459 1HD2 LEU 58 1HD2 LEU 58 -6.234 -8.709 0.776 460 2HD2 LEU 58 2HD2 LEU 58 -6.083 -9.048 -0.965 461 3HD2 LEU 58 3HD2 LEU 58 -4.644 -9.102 0.080 462 H GLY 59 H GLY 59 -7.129 -7.045 3.204 463 1HA GLY 59 1HA GLY 59 -9.061 -5.057 4.238 464 2HA GLY 59 2HA GLY 59 -8.758 -6.626 4.960 465 HA PRO 60 HA PRO 60 -6.015 -3.758 7.114 466 1HB PRO 60 1HB PRO 60 -6.655 -4.517 9.660 467 2HB PRO 60 2HB PRO 60 -7.433 -3.182 8.833 468 1HG PRO 60 1HG PRO 60 -8.485 -5.891 9.378 469 2HG PRO 60 2HG PRO 60 -9.365 -4.437 8.950 470 1HD PRO 60 1HD PRO 60 -8.750 -6.642 7.222 471 2HD PRO 60 2HD PRO 60 -9.528 -5.140 6.766 472 H LYS 61 H LYS 61 -6.613 -7.147 7.758 473 HA LYS 61 HA LYS 61 -4.137 -7.622 8.973 474 1HB LYS 61 1HB LYS 61 -5.971 -9.152 9.250 475 2HB LYS 61 2HB LYS 61 -6.086 -9.432 7.524 476 1HG LYS 61 1HG LYS 61 -3.483 -10.117 7.861 477 2HG LYS 61 2HG LYS 61 -4.047 -10.453 9.486 478 1HD LYS 61 1HD LYS 61 -6.044 -11.566 7.834 479 2HD LYS 61 2HD LYS 61 -4.550 -11.937 6.995 480 1HE LYS 61 1HE LYS 61 -4.537 -12.383 9.962 481 2HE LYS 61 2HE LYS 61 -5.549 -13.467 9.028 482 1HZ LYS 61 1HZ LYS 61 -3.022 -13.090 7.818 483 2HZ LYS 61 2HZ LYS 61 -2.870 -13.661 9.340 484 3HZ LYS 61 3HZ LYS 61 -3.766 -14.478 8.248 485 H ASP 62 H ASP 62 -5.241 -7.700 5.544 486 HA ASP 62 HA ASP 62 -2.910 -8.777 4.527 487 1HB ASP 62 1HB ASP 62 -5.205 -7.154 3.471 488 2HB ASP 62 2HB ASP 62 -3.768 -7.202 2.470 489 H LEU 63 H LEU 63 -3.771 -5.581 5.741 490 HA LEU 63 HA LEU 63 -1.431 -4.375 4.475 491 1HB LEU 63 1HB LEU 63 -4.043 -3.476 5.068 492 2HB LEU 63 2HB LEU 63 -2.960 -2.580 6.112 493 HG LEU 63 HG LEU 63 -1.824 -1.591 4.316 494 1HD1 LEU 63 1HD1 LEU 63 -2.683 -2.512 1.892 495 2HD1 LEU 63 2HD1 LEU 63 -1.176 -3.004 2.703 496 3HD1 LEU 63 3HD1 LEU 63 -2.637 -4.009 2.853 497 1HD2 LEU 63 1HD2 LEU 63 -3.497 -0.442 3.092 498 2HD2 LEU 63 2HD2 LEU 63 -4.645 -1.793 3.249 499 3HD2 LEU 63 3HD2 LEU 63 -4.204 -0.831 4.678 500 H PHE 64 H PHE 64 0.258 -3.426 5.704 501 HA PHE 64 HA PHE 64 0.163 -3.973 8.571 502 1HB PHE 64 1HB PHE 64 1.571 -5.477 6.603 503 2HB PHE 64 2HB PHE 64 2.792 -4.397 7.248 504 HD1 PHE 64 1HD PHE 64 -0.055 -5.966 9.055 505 HD2 PHE 64 2HD PHE 64 4.150 -5.820 8.503 506 HE1 PHE 64 1HE PHE 64 0.257 -7.494 11.022 507 HE2 PHE 64 2HE PHE 64 4.463 -7.348 10.470 508 HZ PHE 64 HZ PHE 64 2.512 -8.167 11.706 509 HA PRO 65 HA PRO 65 1.900 0.007 8.627 510 1HB PRO 65 1HB PRO 65 2.514 0.185 11.284 511 2HB PRO 65 2HB PRO 65 0.908 0.482 10.651 512 1HG PRO 65 1HG PRO 65 1.910 -1.875 12.124 513 2HG PRO 65 2HG PRO 65 0.254 -1.369 11.860 514 1HD PRO 65 1HD PRO 65 1.637 -3.486 10.508 515 2HD PRO 65 2HD PRO 65 0.021 -2.903 10.165 516 H TYR 66 H TYR 66 3.897 1.276 9.439 517 HA TYR 66 HA TYR 66 6.117 -0.270 8.470 518 1HB TYR 66 1HB TYR 66 6.248 1.993 7.807 519 2HB TYR 66 2HB TYR 66 5.317 2.539 9.189 520 HD1 TYR 66 1HD TYR 66 6.412 3.867 10.740 521 HD2 TYR 66 2HD TYR 66 8.689 1.028 8.493 522 HE1 TYR 66 1HE TYR 66 8.547 4.697 11.841 523 HE2 TYR 66 2HE TYR 66 10.817 1.867 9.602 524 HH TYR 66 HH TYR 66 11.682 3.605 10.749 525 H GLU 67 H GLU 67 4.837 0.869 11.597 526 HA GLU 67 HA GLU 67 7.249 0.461 12.985 527 1HB GLU 67 1HB GLU 67 4.648 1.500 13.535 528 2HB GLU 67 2HB GLU 67 4.911 0.213 14.693 529 1HG GLU 67 1HG GLU 67 7.001 1.225 15.458 530 2HG GLU 67 2HG GLU 67 6.974 2.397 14.155 531 H GLU 68 H GLU 68 4.272 -1.501 12.413 532 HA GLU 68 HA GLU 68 5.194 -3.605 14.064 533 1HB GLU 68 1HB GLU 68 2.758 -3.020 13.495 534 2HB GLU 68 2HB GLU 68 3.031 -3.750 11.926 535 1HG GLU 68 1HG GLU 68 3.563 -5.913 12.946 536 2HG GLU 68 2HG GLU 68 3.549 -5.215 14.554 537 H SER 69 H SER 69 4.973 -3.018 10.497 538 HA SER 69 HA SER 69 5.871 -5.463 9.680 539 1HB SER 69 1HB SER 69 6.532 -4.308 7.580 540 2HB SER 69 2HB SER 69 4.955 -3.788 8.141 541 HG SER 69 HG SER 69 6.367 -2.016 9.289 542 H LYS 70 H LYS 70 7.733 -2.475 10.539 543 HA LYS 70 HA LYS 70 10.247 -3.645 9.963 544 1HB LYS 70 1HB LYS 70 11.165 -1.625 10.741 545 2HB LYS 70 2HB LYS 70 9.649 -1.177 9.986 546 1HG LYS 70 1HG LYS 70 9.543 0.011 12.012 547 2HG LYS 70 2HG LYS 70 8.625 -1.432 12.395 548 1HD LYS 70 1HD LYS 70 10.040 -1.773 14.136 549 2HD LYS 70 2HD LYS 70 11.283 -2.167 12.966 550 1HE LYS 70 1HE LYS 70 12.026 0.177 12.877 551 2HE LYS 70 2HE LYS 70 10.687 0.685 13.886 552 1HZ LYS 70 1HZ LYS 70 13.155 -0.359 14.673 553 2HZ LYS 70 2HZ LYS 70 11.970 0.267 15.606 554 3HZ LYS 70 3HZ LYS 70 11.970 -1.326 15.246 555 H GLU 71 H GLU 71 7.992 -3.803 12.640 556 HA GLU 71 HA GLU 71 9.772 -4.292 14.688 557 1HB GLU 71 1HB GLU 71 7.208 -3.893 14.746 558 2HB GLU 71 2HB GLU 71 7.045 -5.611 14.443 559 1HG GLU 71 1HG GLU 71 7.987 -6.213 16.520 560 2HG GLU 71 2HG GLU 71 8.875 -4.710 16.675 561 H LYS 72 H LYS 72 8.245 -6.502 12.278 562 HA LYS 72 HA LYS 72 9.756 -8.724 13.401 563 1HB LYS 72 1HB LYS 72 7.540 -9.351 13.020 564 2HB LYS 72 2HB LYS 72 7.433 -8.473 11.508 565 1HG LYS 72 1HG LYS 72 9.332 -10.128 10.699 566 2HG LYS 72 2HG LYS 72 8.826 -11.109 12.062 567 1HD LYS 72 1HD LYS 72 7.282 -11.968 10.610 568 2HD LYS 72 2HD LYS 72 6.378 -10.505 10.952 569 1HE LYS 72 1HE LYS 72 7.392 -9.377 8.991 570 2HE LYS 72 2HE LYS 72 8.404 -10.772 8.677 571 1HZ LYS 72 1HZ LYS 72 6.234 -12.026 8.536 572 2HZ LYS 72 2HZ LYS 72 5.498 -10.573 8.431 573 3HZ LYS 72 3HZ LYS 72 6.586 -11.020 7.299 574 H PHE 73 H PHE 73 9.068 -7.486 10.051 575 HA PHE 73 HA PHE 73 11.929 -7.818 9.514 576 1HB PHE 73 1HB PHE 73 9.510 -9.129 8.363 577 2HB PHE 73 2HB PHE 73 10.498 -8.375 7.126 578 HD1 PHE 73 1HD PHE 73 11.308 -10.277 10.245 579 HD2 PHE 73 2HD PHE 73 11.772 -9.949 6.038 580 HE1 PHE 73 1HE PHE 73 12.843 -12.265 10.258 581 HE2 PHE 73 2HE PHE 73 13.306 -11.934 6.052 582 HZ PHE 73 HZ PHE 73 13.823 -13.069 8.162 583 H GLY 74 H GLY 74 8.892 -6.766 7.801 584 1HA GLY 74 1HA GLY 74 8.336 -4.766 6.911 585 2HA GLY 74 2HA GLY 74 9.684 -4.026 7.752 586 H LYS 75 H LYS 75 10.974 -6.680 6.143 587 HA LYS 75 HA LYS 75 11.429 -5.131 3.692 588 1HB LYS 75 1HB LYS 75 13.624 -6.738 4.985 589 2HB LYS 75 2HB LYS 75 13.745 -5.494 3.758 590 1HG LYS 75 1HG LYS 75 13.464 -3.743 5.293 591 2HG LYS 75 2HG LYS 75 12.546 -4.726 6.417 592 1HD LYS 75 1HD LYS 75 14.540 -5.892 7.170 593 2HD LYS 75 2HD LYS 75 15.503 -5.225 5.867 594 1HE LYS 75 1HE LYS 75 15.868 -3.257 6.977 595 2HE LYS 75 2HE LYS 75 14.198 -3.127 7.490 596 1HZ LYS 75 1HZ LYS 75 15.855 -5.162 8.729 597 2HZ LYS 75 2HZ LYS 75 16.070 -3.610 9.184 598 3HZ LYS 75 3HZ LYS 75 14.609 -4.317 9.360 599 HA PRO 76 HA PRO 76 9.957 -9.126 2.448 600 1HB PRO 76 1HB PRO 76 8.693 -8.290 0.174 601 2HB PRO 76 2HB PRO 76 7.901 -8.376 1.734 602 1HG PRO 76 1HG PRO 76 8.857 -5.992 0.272 603 2HG PRO 76 2HG PRO 76 7.708 -6.082 1.592 604 1HD PRO 76 1HD PRO 76 10.446 -5.242 1.753 605 2HD PRO 76 2HD PRO 76 9.332 -5.443 3.090 606 H ASN 77 H ASN 77 10.095 -10.400 0.292 607 HA ASN 77 HA ASN 77 12.704 -10.667 -0.274 608 1HB ASN 77 1HB ASN 77 10.523 -11.037 -2.384 609 2HB ASN 77 2HB ASN 77 12.013 -11.948 -2.235 610 1HD2 ASN 77 1HD2 ASN 77 8.879 -11.276 -0.805 611 2HD2 ASN 77 2HD2 ASN 77 8.725 -12.725 0.131 612 H LYS 78 H LYS 78 14.201 -9.609 -1.649 613 HA LYS 78 HA LYS 78 13.307 -7.127 -2.818 614 1HB LYS 78 1HB LYS 78 15.398 -7.358 -1.440 615 2HB LYS 78 2HB LYS 78 16.092 -8.320 -2.730 616 1HG LYS 78 1HG LYS 78 16.828 -6.301 -3.525 617 2HG LYS 78 2HG LYS 78 15.209 -6.170 -4.182 618 1HD LYS 78 1HD LYS 78 14.807 -4.359 -2.883 619 2HD LYS 78 2HD LYS 78 15.073 -5.318 -1.440 620 1HE LYS 78 1HE LYS 78 17.676 -4.915 -2.287 621 2HE LYS 78 2HE LYS 78 16.917 -3.431 -2.826 622 1HZ LYS 78 1HZ LYS 78 16.758 -2.744 -0.750 623 2HZ LYS 78 2HZ LYS 78 16.092 -4.138 -0.218 624 3HZ LYS 78 3HZ LYS 78 17.716 -3.989 -0.303 625 H ARG 79 H ARG 79 11.909 -7.911 -4.502 626 HA ARG 79 HA ARG 79 13.238 -9.495 -6.515 627 1HB ARG 79 1HB ARG 79 10.329 -8.598 -6.202 628 2HB ARG 79 2HB ARG 79 10.902 -9.559 -7.551 629 1HG ARG 79 1HG ARG 79 11.686 -10.633 -4.889 630 2HG ARG 79 2HG ARG 79 9.953 -10.588 -5.153 631 1HD ARG 79 1HD ARG 79 10.127 -11.946 -7.157 632 2HD ARG 79 2HD ARG 79 11.868 -11.764 -7.216 633 HE ARG 79 HE ARG 79 10.389 -13.669 -5.600 634 1HH1 ARG 79 2HH2 ARG 79 13.336 -11.750 -5.683 635 2HH1 ARG 79 1HH2 ARG 79 14.211 -12.816 -4.636 636 1HH2 ARG 79 2HH1 ARG 79 11.543 -15.076 -4.218 637 2HH2 ARG 79 1HH1 ARG 79 13.184 -14.721 -3.797 638 H LYS 80 H LYS 80 12.034 -8.693 -8.880 639 HA LYS 80 HA LYS 80 13.426 -6.297 -9.444 640 1HB LYS 80 1HB LYS 80 12.404 -8.472 -10.883 641 2HB LYS 80 2HB LYS 80 11.484 -7.098 -11.461 642 1HG LYS 80 1HG LYS 80 13.761 -5.860 -11.667 643 2HG LYS 80 2HG LYS 80 14.512 -7.427 -11.438 644 1HD LYS 80 1HD LYS 80 14.350 -7.186 -13.804 645 2HD LYS 80 2HD LYS 80 13.039 -8.273 -13.385 646 1HE LYS 80 1HE LYS 80 11.475 -6.269 -13.320 647 2HE LYS 80 2HE LYS 80 12.796 -5.269 -13.890 648 1HZ LYS 80 1HZ LYS 80 12.948 -6.789 -15.807 649 2HZ LYS 80 2HZ LYS 80 11.596 -7.549 -15.298 650 3HZ LYS 80 3HZ LYS 80 11.533 -5.976 -15.736 651 H GLY 81 H GLY 81 9.912 -7.161 -9.212 652 1HA GLY 81 1HA GLY 81 9.018 -4.502 -9.685 653 2HA GLY 81 2HA GLY 81 8.083 -5.849 -9.066 654 H PHE 82 H PHE 82 10.665 -5.905 -7.036 655 HA PHE 82 HA PHE 82 9.204 -4.506 -4.994 656 1HB PHE 82 1HB PHE 82 10.301 -6.682 -4.549 657 2HB PHE 82 2HB PHE 82 11.822 -6.101 -5.197 658 HD1 PHE 82 1HD PHE 82 12.792 -3.965 -3.937 659 HD2 PHE 82 2HD PHE 82 10.053 -6.737 -2.257 660 HE1 PHE 82 1HE PHE 82 13.514 -3.282 -1.632 661 HE2 PHE 82 2HE PHE 82 10.774 -6.053 0.047 662 HZ PHE 82 HZ PHE 82 12.496 -4.333 0.332 663 H SER 83 H SER 83 12.407 -4.240 -6.663 664 HA SER 83 HA SER 83 13.233 -2.049 -5.149 665 1HB SER 83 1HB SER 83 14.501 -3.722 -6.817 666 2HB SER 83 2HB SER 83 14.193 -2.444 -7.978 667 HG SER 83 HG SER 83 15.922 -2.479 -5.743 668 H GLU 84 H GLU 84 11.884 -2.320 -8.519 669 HA GLU 84 HA GLU 84 11.766 0.460 -8.852 670 1HB GLU 84 1HB GLU 84 10.913 -0.013 -10.973 671 2HB GLU 84 2HB GLU 84 11.762 -1.503 -10.609 672 1HG GLU 84 1HG GLU 84 9.596 -2.487 -9.753 673 2HG GLU 84 2HG GLU 84 8.771 -1.014 -10.223 674 H GLY 85 H GLY 85 9.580 -1.994 -7.498 675 1HA GLY 85 1HA GLY 85 7.181 -0.511 -7.611 676 2HA GLY 85 2HA GLY 85 7.545 -1.855 -6.549 677 H LEU 86 H LEU 86 9.604 -1.017 -4.941 678 HA LEU 86 HA LEU 86 8.294 0.678 -3.142 679 1HB LEU 86 1HB LEU 86 9.702 -0.679 -2.038 680 2HB LEU 86 2HB LEU 86 10.870 -0.733 -3.342 681 HG LEU 86 HG LEU 86 11.771 0.286 -1.291 682 1HD1 LEU 86 1HD1 LEU 86 11.951 2.692 -2.836 683 2HD1 LEU 86 2HD1 LEU 86 13.150 1.394 -2.626 684 3HD1 LEU 86 3HD1 LEU 86 11.947 1.291 -3.934 685 1HD2 LEU 86 1HD2 LEU 86 10.714 2.867 -1.263 686 2HD2 LEU 86 2HD2 LEU 86 9.298 1.798 -1.402 687 3HD2 LEU 86 3HD2 LEU 86 10.448 1.580 -0.062 688 H TRP 87 H TRP 87 10.448 1.262 -5.880 689 HA TRP 87 HA TRP 87 10.991 3.973 -5.034 690 1HB TRP 87 1HB TRP 87 12.207 2.080 -6.755 691 2HB TRP 87 2HB TRP 87 11.717 3.433 -7.756 692 HD1 TRP 87 HD TRP 87 12.900 5.854 -7.187 693 HE1 TRP 87 1HE TRP 87 15.150 6.553 -5.997 694 HE3 TRP 87 3HE TRP 87 13.694 1.381 -4.903 695 HZ2 TRP 87 2HZ TRP 87 16.969 5.186 -4.274 696 HZ3 TRP 87 3HZ TRP 87 15.730 1.147 -3.484 697 HH2 TRP 87 HH TRP 87 17.339 2.958 -3.152 698 H GLU 88 H GLU 88 8.616 2.115 -6.803 699 HA GLU 88 HA GLU 88 7.800 4.198 -8.515 700 1HB GLU 88 1HB GLU 88 6.970 1.441 -7.871 701 2HB GLU 88 2HB GLU 88 5.611 2.483 -8.238 702 1HG GLU 88 1HG GLU 88 7.438 3.206 -10.211 703 2HG GLU 88 2HG GLU 88 7.764 1.494 -10.024 704 H ILE 89 H ILE 89 7.207 3.342 -5.155 705 HA ILE 89 HA ILE 89 4.904 5.132 -5.055 706 HB ILE 89 HB ILE 89 4.349 3.184 -3.981 707 1HG1 ILE 89 1HG1 ILE 89 4.097 5.263 -2.549 708 2HG1 ILE 89 2HG1 ILE 89 4.030 3.722 -1.714 709 1HG2 ILE 89 1HG2 ILE 89 6.055 2.223 -2.198 710 2HG2 ILE 89 2HG2 ILE 89 6.165 1.803 -3.924 711 3HG2 ILE 89 3HG2 ILE 89 7.237 3.049 -3.242 712 1HD1 ILE 89 1HD1 ILE 89 5.759 4.348 -0.398 713 2HD1 ILE 89 2HD1 ILE 89 6.794 4.537 -1.834 714 3HD1 ILE 89 3HD1 ILE 89 5.826 5.912 -1.247 715 H GLU 90 H GLU 90 8.242 4.654 -3.805 716 HA GLU 90 HA GLU 90 8.097 7.010 -2.236 717 1HB GLU 90 1HB GLU 90 10.225 4.998 -2.944 718 2HB GLU 90 2HB GLU 90 10.734 6.541 -2.286 719 1HG GLU 90 1HG GLU 90 8.715 5.947 -0.536 720 2HG GLU 90 2HG GLU 90 9.208 4.322 -0.970 721 H ASN 91 H ASN 91 9.071 6.136 -5.537 722 HA ASN 91 HA ASN 91 9.637 8.957 -5.966 723 1HB ASN 91 1HB ASN 91 11.108 6.693 -7.403 724 2HB ASN 91 2HB ASN 91 11.493 8.403 -7.455 725 1HD2 ASN 91 1HD2 ASN 91 10.874 5.901 -4.990 726 2HD2 ASN 91 2HD2 ASN 91 12.227 6.262 -3.969 727 H ASN 92 H ASN 92 7.232 8.735 -6.606 728 HA ASN 92 HA ASN 92 6.464 7.062 -8.668 729 1HB ASN 92 1HB ASN 92 4.586 8.895 -8.922 730 2HB ASN 92 2HB ASN 92 4.682 8.006 -7.416 731 1HD2 ASN 92 1HD2 ASN 92 5.652 10.972 -9.060 732 2HD2 ASN 92 2HD2 ASN 92 5.768 11.988 -7.662 733 HA PRO 93 HA PRO 93 7.848 9.312 -12.167 734 1HB PRO 93 1HB PRO 93 5.987 8.686 -14.070 735 2HB PRO 93 2HB PRO 93 7.292 7.608 -13.613 736 1HG PRO 93 1HG PRO 93 4.423 7.445 -12.917 737 2HG PRO 93 2HG PRO 93 5.644 6.190 -12.841 738 1HD PRO 93 1HD PRO 93 4.566 7.671 -10.634 739 2HD PRO 93 2HD PRO 93 5.868 6.500 -10.575 740 H THR 94 H THR 94 4.331 9.669 -11.999 741 HA THR 94 HA THR 94 4.696 12.537 -11.843 742 HB THR 94 HB THR 94 3.058 11.329 -14.123 743 HG1 THR 94 1HG THR 94 4.986 11.452 -15.286 744 1HG2 THR 94 1HG2 THR 94 2.451 13.645 -13.731 745 2HG2 THR 94 2HG2 THR 94 4.147 14.103 -13.437 746 3HG2 THR 94 3HG2 THR 94 3.613 13.666 -15.080 747 H VAL 95 H VAL 95 3.896 10.959 -9.792 748 HA VAL 95 HA VAL 95 0.983 10.937 -9.869 749 HB VAL 95 HB VAL 95 3.068 9.806 -8.008 750 1HG1 VAL 95 1HG1 VAL 95 0.279 10.512 -7.427 751 2HG1 VAL 95 2HG1 VAL 95 0.650 8.796 -7.127 752 3HG1 VAL 95 3HG1 VAL 95 1.606 10.067 -6.325 753 1HG2 VAL 95 1HG2 VAL 95 1.148 8.707 -10.033 754 2HG2 VAL 95 2HG2 VAL 95 2.854 8.297 -9.737 755 3HG2 VAL 95 3HG2 VAL 95 1.592 7.706 -8.629 756 H LYS 96 H LYS 96 -0.302 12.289 -8.616 757 HA LYS 96 HA LYS 96 1.174 14.315 -7.082 758 1HB LYS 96 1HB LYS 96 -0.228 16.016 -7.889 759 2HB LYS 96 2HB LYS 96 0.198 15.078 -9.307 760 1HG LYS 96 1HG LYS 96 -2.009 13.735 -8.813 761 2HG LYS 96 2HG LYS 96 -2.429 15.085 -7.780 762 1HD LYS 96 1HD LYS 96 -1.701 16.494 -9.975 763 2HD LYS 96 2HD LYS 96 -2.144 15.000 -10.775 764 1HE LYS 96 1HE LYS 96 -3.932 16.604 -8.883 765 2HE LYS 96 2HE LYS 96 -4.087 16.542 -10.627 766 1HZ LYS 96 1HZ LYS 96 -4.474 14.332 -8.739 767 2HZ LYS 96 2HZ LYS 96 -5.580 14.998 -9.741 768 3HZ LYS 96 3HZ LYS 96 -4.360 14.100 -10.352 769 H ALA 97 H ALA 97 -1.794 12.323 -7.466 770 HA ALA 97 HA ALA 97 -2.936 13.174 -5.017 771 1HB ALA 97 1HB ALA 97 -3.425 10.636 -6.625 772 2HB ALA 97 2HB ALA 97 -4.521 11.374 -5.433 773 3HB ALA 97 3HB ALA 97 -4.179 12.212 -6.966 774 H SER 98 H SER 98 -1.576 12.975 -3.243 775 HA SER 98 HA SER 98 -1.158 10.283 -2.381 776 1HB SER 98 1HB SER 98 1.205 10.332 -2.173 777 2HB SER 98 2HB SER 98 0.899 10.959 -3.780 778 HG SER 98 HG SER 98 1.405 13.025 -3.134 779 H GLY 99 H GLY 99 -0.120 10.352 -0.047 780 1HA GLY 99 1HA GLY 99 -0.506 12.879 1.340 781 2HA GLY 99 2HA GLY 99 -1.659 11.617 1.728 782 H TYR 100 H TYR 100 0.456 12.866 3.443 783 HA TYR 100 HA TYR 100 1.638 10.368 4.342 784 1HB TYR 100 1HB TYR 100 3.714 11.025 3.535 785 2HB TYR 100 2HB TYR 100 2.979 12.448 2.824 786 HD1 TYR 100 1HD TYR 100 4.012 14.440 3.378 787 HD2 TYR 100 2HD TYR 100 3.889 11.313 6.294 788 HE1 TYR 100 1HE TYR 100 5.285 15.909 5.017 789 HE2 TYR 100 2HE TYR 100 5.162 12.792 7.925 790 HH TYR 100 HH TYR 100 5.433 15.286 8.253 Start of MODEL 7 1 H MET 1 H MET 1 7.458 19.557 2.585 2 HA MET 1 HA MET 1 9.795 19.349 2.379 3 1HB MET 1 1HB MET 1 9.800 21.909 3.411 4 2HB MET 1 2HB MET 1 10.287 21.013 4.837 5 1HG MET 1 1HG MET 1 12.057 19.860 3.329 6 2HG MET 1 2HG MET 1 11.678 21.073 2.123 7 1HE MET 1 1HE MET 1 14.075 20.103 4.446 8 2HE MET 1 2HE MET 1 14.658 21.021 3.038 9 3HE MET 1 3HE MET 1 14.996 21.607 4.683 10 H SER 2 H SER 2 7.494 19.381 4.997 11 HA SER 2 HA SER 2 8.865 17.064 6.102 12 1HB SER 2 1HB SER 2 7.738 19.462 7.559 13 2HB SER 2 2HB SER 2 7.737 17.900 8.353 14 HG SER 2 HG SER 2 10.134 18.924 7.128 15 H ARG 3 H ARG 3 7.551 15.345 5.595 16 HA ARG 3 HA ARG 3 4.798 15.782 5.130 17 1HB ARG 3 1HB ARG 3 4.762 13.294 4.728 18 2HB ARG 3 2HB ARG 3 6.013 14.108 3.810 19 1HG ARG 3 1HG ARG 3 7.032 13.337 6.440 20 2HG ARG 3 2HG ARG 3 6.346 11.945 5.626 21 1HD ARG 3 1HD ARG 3 7.715 12.738 3.535 22 2HD ARG 3 2HD ARG 3 8.589 13.760 4.657 23 HE ARG 3 HE ARG 3 8.756 10.843 4.460 24 1HH1 ARG 3 2HH2 ARG 3 9.271 13.622 6.557 25 2HH1 ARG 3 1HH2 ARG 3 10.425 12.810 7.562 26 1HH2 ARG 3 2HH1 ARG 3 10.279 9.773 5.786 27 2HH2 ARG 3 1HH1 ARG 3 11.001 10.606 7.120 28 H SER 4 H SER 4 3.020 15.178 6.448 29 HA SER 4 HA SER 4 3.791 14.365 9.136 30 1HB SER 4 1HB SER 4 1.631 15.405 9.854 31 2HB SER 4 2HB SER 4 2.723 16.553 9.103 32 HG SER 4 HG SER 4 0.261 15.494 8.145 33 H ASN 5 H ASN 5 3.314 12.261 9.642 34 HA ASN 5 HA ASN 5 1.203 11.013 8.079 35 1HB ASN 5 1HB ASN 5 2.277 8.871 8.640 36 2HB ASN 5 2HB ASN 5 3.495 9.961 8.010 37 1HD2 ASN 5 1HD2 ASN 5 2.876 7.760 10.322 38 2HD2 ASN 5 2HD2 ASN 5 3.968 8.245 11.576 39 H ARG 6 H ARG 6 0.454 8.884 9.673 40 HA ARG 6 HA ARG 6 -0.508 10.243 12.052 41 1HB ARG 6 1HB ARG 6 -2.420 8.741 11.994 42 2HB ARG 6 2HB ARG 6 -2.200 9.361 10.370 43 1HG ARG 6 1HG ARG 6 -0.619 6.919 10.820 44 2HG ARG 6 2HG ARG 6 -2.324 6.649 11.125 45 1HD ARG 6 1HD ARG 6 -2.894 6.892 8.911 46 2HD ARG 6 2HD ARG 6 -1.803 8.243 8.672 47 HE ARG 6 HE ARG 6 -1.031 5.355 8.559 48 1HH1 ARG 6 2HH2 ARG 6 -0.273 8.739 7.961 49 2HH1 ARG 6 1HH2 ARG 6 1.127 8.389 7.006 50 1HH2 ARG 6 2HH1 ARG 6 0.819 4.893 7.299 51 2HH2 ARG 6 1HH1 ARG 6 1.753 6.187 6.625 52 H GLN 7 H GLN 7 -1.229 8.240 13.747 53 HA GLN 7 HA GLN 7 1.266 6.769 14.085 54 1HB GLN 7 1HB GLN 7 0.423 6.696 16.567 55 2HB GLN 7 2HB GLN 7 1.144 8.172 15.956 56 1HG GLN 7 1HG GLN 7 -1.861 7.704 15.814 57 2HG GLN 7 2HG GLN 7 -1.109 8.365 17.255 58 1HE2 GLN 7 1HE2 GLN 7 -2.812 9.255 14.744 59 2HE2 GLN 7 2HE2 GLN 7 -2.168 10.816 14.363 60 H LYS 8 H LYS 8 -2.328 6.650 14.339 61 HA LYS 8 HA LYS 8 -2.154 3.777 13.901 62 1HB LYS 8 1HB LYS 8 -3.712 3.267 15.678 63 2HB LYS 8 2HB LYS 8 -2.301 4.066 16.341 64 1HG LYS 8 1HG LYS 8 -4.166 6.131 15.631 65 2HG LYS 8 2HG LYS 8 -5.075 4.894 16.477 66 1HD LYS 8 1HD LYS 8 -2.431 5.607 17.685 67 2HD LYS 8 2HD LYS 8 -3.650 6.864 17.741 68 1HE LYS 8 1HE LYS 8 -5.233 5.356 18.875 69 2HE LYS 8 2HE LYS 8 -4.136 4.002 18.693 70 1HZ LYS 8 1HZ LYS 8 -3.865 6.330 20.422 71 2HZ LYS 8 2HZ LYS 8 -3.707 4.749 20.794 72 3HZ LYS 8 3HZ LYS 8 -2.529 5.512 19.960 73 H GLU 9 H GLU 9 -3.978 6.855 13.950 74 HA GLU 9 HA GLU 9 -6.263 5.851 12.734 75 1HB GLU 9 1HB GLU 9 -6.698 8.269 12.161 76 2HB GLU 9 2HB GLU 9 -6.316 7.997 13.851 77 1HG GLU 9 1HG GLU 9 -3.879 8.565 13.293 78 2HG GLU 9 2HG GLU 9 -4.424 9.042 11.696 79 H TYR 10 H TYR 10 -6.152 4.693 10.839 80 HA TYR 10 HA TYR 10 -4.568 5.898 8.670 81 1HB TYR 10 1HB TYR 10 -4.072 3.625 8.043 82 2HB TYR 10 2HB TYR 10 -4.052 3.542 9.794 83 HD1 TYR 10 1HD TYR 10 -5.541 2.268 6.789 84 HD2 TYR 10 2HD TYR 10 -6.193 2.754 10.989 85 HE1 TYR 10 1HE TYR 10 -7.316 0.449 6.731 86 HE2 TYR 10 2HE TYR 10 -7.966 0.932 10.917 87 HH TYR 10 HH TYR 10 -8.879 -0.641 9.716 88 H LYS 11 H LYS 11 -5.711 6.658 6.961 89 HA LYS 11 HA LYS 11 -8.237 5.345 6.335 90 1HB LYS 11 1HB LYS 11 -7.941 8.061 7.417 91 2HB LYS 11 2HB LYS 11 -8.837 8.007 5.912 92 1HG LYS 11 1HG LYS 11 -9.434 6.162 8.269 93 2HG LYS 11 2HG LYS 11 -10.234 7.704 8.037 94 1HD LYS 11 1HD LYS 11 -10.206 5.531 5.896 95 2HD LYS 11 2HD LYS 11 -11.462 5.638 7.113 96 1HE LYS 11 1HE LYS 11 -10.740 7.964 5.272 97 2HE LYS 11 2HE LYS 11 -11.980 6.791 4.879 98 1HZ LYS 11 1HZ LYS 11 -12.618 8.910 6.116 99 2HZ LYS 11 2HZ LYS 11 -13.285 7.503 6.604 100 3HZ LYS 11 3HZ LYS 11 -12.055 8.161 7.453 101 H CYS 12 H CYS 12 -9.067 6.613 4.149 102 HA CYS 12 HA CYS 12 -7.534 5.772 2.142 103 1HB CYS 12 1HB CYS 12 -9.878 6.858 2.103 104 2HB CYS 12 2HB CYS 12 -9.039 8.379 1.880 105 HG CYS 12 HG CYS 12 -9.890 6.271 -0.184 106 H GLY 13 H GLY 13 -5.865 6.675 0.769 107 1HA GLY 13 1HA GLY 13 -4.255 8.184 0.153 108 2HA GLY 13 2HA GLY 13 -4.723 9.251 1.462 109 H ASP 14 H ASP 14 -4.554 6.221 2.870 110 HA ASP 14 HA ASP 14 -1.996 6.871 3.985 111 1HB ASP 14 1HB ASP 14 -3.506 6.146 5.638 112 2HB ASP 14 2HB ASP 14 -4.230 4.939 4.597 113 H LEU 15 H LEU 15 -0.074 5.748 3.490 114 HA LEU 15 HA LEU 15 -0.338 3.598 1.523 115 1HB LEU 15 1HB LEU 15 0.970 5.300 0.641 116 2HB LEU 15 2HB LEU 15 1.784 5.615 2.161 117 HG LEU 15 HG LEU 15 3.085 4.461 0.253 118 1HD1 LEU 15 1HD1 LEU 15 3.326 2.913 2.803 119 2HD1 LEU 15 2HD1 LEU 15 4.587 3.633 1.774 120 3HD1 LEU 15 3HD1 LEU 15 3.597 4.672 2.825 121 1HD2 LEU 15 1HD2 LEU 15 2.530 2.428 -0.451 122 2HD2 LEU 15 2HD2 LEU 15 2.387 1.810 1.213 123 3HD2 LEU 15 3HD2 LEU 15 1.002 2.622 0.441 124 H VAL 16 H VAL 16 0.391 1.530 1.927 125 HA VAL 16 HA VAL 16 2.065 1.025 4.198 126 HB VAL 16 HB VAL 16 0.050 -0.726 4.796 127 1HG1 VAL 16 1HG1 VAL 16 -0.113 0.422 6.846 128 2HG1 VAL 16 2HG1 VAL 16 1.528 0.782 6.260 129 3HG1 VAL 16 3HG1 VAL 16 0.238 1.998 6.095 130 1HG2 VAL 16 1HG2 VAL 16 -2.042 0.453 4.913 131 2HG2 VAL 16 2HG2 VAL 16 -1.298 1.944 4.287 132 3HG2 VAL 16 3HG2 VAL 16 -1.463 0.520 3.230 133 H PHE 17 H PHE 17 2.094 -1.607 4.425 134 HA PHE 17 HA PHE 17 2.700 -2.462 1.720 135 1HB PHE 17 1HB PHE 17 3.264 -3.327 4.592 136 2HB PHE 17 2HB PHE 17 3.505 -4.495 3.309 137 HD1 PHE 17 1HD PHE 17 5.263 -4.155 1.630 138 HD2 PHE 17 2HD PHE 17 4.753 -1.447 4.857 139 HE1 PHE 17 1HE PHE 17 7.547 -3.210 1.198 140 HE2 PHE 17 2HE PHE 17 7.038 -0.501 4.424 141 HZ PHE 17 HZ PHE 17 8.407 -1.394 2.599 142 H ALA 18 H ALA 18 1.247 -3.610 0.545 143 HA ALA 18 HA ALA 18 -0.971 -4.853 1.946 144 1HB ALA 18 1HB ALA 18 -1.756 -5.215 -0.450 145 2HB ALA 18 2HB ALA 18 -1.551 -3.516 0.041 146 3HB ALA 18 3HB ALA 18 -0.317 -4.305 -0.972 147 H LYS 19 H LYS 19 -1.350 -7.070 2.050 148 HA LYS 19 HA LYS 19 0.654 -8.772 0.762 149 1HB LYS 19 1HB LYS 19 1.300 -8.378 3.130 150 2HB LYS 19 2HB LYS 19 -0.240 -9.033 3.648 151 1HG LYS 19 1HG LYS 19 0.748 -11.078 3.634 152 2HG LYS 19 2HG LYS 19 0.707 -10.993 1.884 153 1HD LYS 19 1HD LYS 19 2.952 -9.682 2.065 154 2HD LYS 19 2HD LYS 19 2.998 -10.217 3.733 155 1HE LYS 19 1HE LYS 19 2.585 -12.623 2.719 156 2HE LYS 19 2HE LYS 19 3.107 -11.902 1.209 157 1HZ LYS 19 1HZ LYS 19 5.152 -11.287 2.223 158 2HZ LYS 19 2HZ LYS 19 4.662 -11.785 3.700 159 3HZ LYS 19 3HZ LYS 19 4.912 -12.877 2.509 160 H MET 20 H MET 20 -0.335 -10.207 -0.543 161 HA MET 20 HA MET 20 -2.934 -11.176 0.336 162 1HB MET 20 1HB MET 20 -2.826 -9.304 -1.595 163 2HB MET 20 2HB MET 20 -2.373 -10.661 -2.607 164 1HG MET 20 1HG MET 20 -4.456 -11.732 -2.357 165 2HG MET 20 2HG MET 20 -4.785 -10.970 -0.813 166 1HE MET 20 1HE MET 20 -7.065 -11.012 -3.186 167 2HE MET 20 2HE MET 20 -6.723 -9.873 -4.509 168 3HE MET 20 3HE MET 20 -5.641 -11.256 -4.223 169 H LYS 21 H LYS 21 -3.602 -13.185 -1.069 170 HA LYS 21 HA LYS 21 -1.642 -15.120 -0.756 171 1HB LYS 21 1HB LYS 21 -4.005 -15.639 -0.726 172 2HB LYS 21 2HB LYS 21 -4.196 -15.114 -2.387 173 1HG LYS 21 1HG LYS 21 -3.237 -17.029 -3.258 174 2HG LYS 21 2HG LYS 21 -2.079 -17.179 -1.951 175 1HD LYS 21 1HD LYS 21 -3.387 -18.825 -1.095 176 2HD LYS 21 2HD LYS 21 -4.561 -17.590 -0.685 177 1HE LYS 21 1HE LYS 21 -4.884 -18.140 -3.486 178 2HE LYS 21 2HE LYS 21 -4.765 -19.691 -2.677 179 1HZ LYS 21 1HZ LYS 21 -6.572 -17.527 -1.847 180 2HZ LYS 21 2HZ LYS 21 -7.017 -18.820 -2.739 181 3HZ LYS 21 3HZ LYS 21 -6.505 -19.026 -1.202 182 H GLY 22 H GLY 22 -0.093 -16.030 -2.084 183 1HA GLY 22 1HA GLY 22 1.334 -16.198 -3.810 184 2HA GLY 22 2HA GLY 22 -0.002 -15.781 -4.868 185 H TYR 23 H TYR 23 0.430 -13.370 -2.456 186 HA TYR 23 HA TYR 23 2.179 -11.820 -4.242 187 1HB TYR 23 1HB TYR 23 -0.177 -11.100 -4.511 188 2HB TYR 23 2HB TYR 23 -0.449 -11.175 -2.781 189 HD1 TYR 23 1HD TYR 23 -0.897 -9.052 -1.965 190 HD2 TYR 23 2HD TYR 23 2.213 -9.528 -4.863 191 HE1 TYR 23 1HE TYR 23 -0.333 -6.580 -1.776 192 HE2 TYR 23 2HE TYR 23 2.768 -7.055 -4.665 193 HH TYR 23 HH TYR 23 1.569 -4.991 -4.019 194 HA PRO 24 HA PRO 24 4.210 -11.421 -0.369 195 1HB PRO 24 1HB PRO 24 6.560 -10.418 -1.340 196 2HB PRO 24 2HB PRO 24 6.227 -12.136 -1.220 197 1HG PRO 24 1HG PRO 24 6.252 -10.414 -3.623 198 2HG PRO 24 2HG PRO 24 6.346 -12.161 -3.523 199 1HD PRO 24 1HD PRO 24 4.051 -10.604 -4.258 200 2HD PRO 24 2HD PRO 24 4.114 -12.343 -4.044 201 H HIS 25 H HIS 25 4.937 -9.779 1.105 202 HA HIS 25 HA HIS 25 3.377 -7.574 1.046 203 1HB HIS 25 1HB HIS 25 5.592 -8.553 2.573 204 2HB HIS 25 2HB HIS 25 5.844 -6.843 2.286 205 HD1 HIS 25 1HD HIS 25 2.508 -6.463 2.280 206 HD2 HIS 25 2HD HIS 25 5.026 -7.904 5.309 207 HE1 HIS 25 1HE HIS 25 1.251 -6.125 4.474 208 H TRP 26 H TRP 26 3.176 -5.921 -0.371 209 HA TRP 26 HA TRP 26 5.647 -4.900 -1.581 210 1HB TRP 26 1HB TRP 26 3.588 -6.309 -2.937 211 2HB TRP 26 2HB TRP 26 3.458 -4.625 -3.405 212 HD1 TRP 26 HD TRP 26 5.088 -3.896 -5.323 213 HE1 TRP 26 1HE TRP 26 7.242 -4.821 -6.534 214 HE3 TRP 26 3HE TRP 26 5.773 -7.861 -2.215 215 HZ2 TRP 26 2HZ TRP 26 8.951 -7.058 -6.068 216 HZ3 TRP 26 3HZ TRP 26 7.709 -9.367 -2.662 217 HH2 TRP 26 HH TRP 26 9.268 -9.015 -4.512 218 HA PRO 27 HA PRO 27 3.926 -1.086 -0.423 219 1HB PRO 27 1HB PRO 27 4.957 0.642 -2.273 220 2HB PRO 27 2HB PRO 27 5.872 0.049 -0.900 221 1HG PRO 27 1HG PRO 27 6.079 -0.735 -3.743 222 2HG PRO 27 2HG PRO 27 7.234 -0.983 -2.450 223 1HD PRO 27 1HD PRO 27 5.474 -2.946 -3.579 224 2HD PRO 27 2HD PRO 27 6.546 -3.163 -2.210 225 H ALA 28 H ALA 28 1.739 -1.119 -0.445 226 HA ALA 28 HA ALA 28 0.620 -0.277 -3.031 227 1HB ALA 28 1HB ALA 28 -0.898 -1.957 -1.032 228 2HB ALA 28 2HB ALA 28 -1.152 -1.788 -2.786 229 3HB ALA 28 3HB ALA 28 0.233 -2.725 -2.173 230 H ARG 29 H ARG 29 -1.167 1.206 -2.924 231 HA ARG 29 HA ARG 29 -1.140 2.658 -0.418 232 1HB ARG 29 1HB ARG 29 -0.606 3.813 -2.652 233 2HB ARG 29 2HB ARG 29 -2.278 3.555 -3.112 234 1HG ARG 29 1HG ARG 29 -3.085 4.929 -1.268 235 2HG ARG 29 2HG ARG 29 -1.490 5.003 -0.545 236 1HD ARG 29 1HD ARG 29 -0.715 6.587 -2.064 237 2HD ARG 29 2HD ARG 29 -1.698 5.973 -3.379 238 HE ARG 29 HE ARG 29 -3.241 7.202 -1.194 239 1HH1 ARG 29 2HH2 ARG 29 -1.616 7.729 -4.271 240 2HH1 ARG 29 1HH2 ARG 29 -2.512 9.163 -4.644 241 1HH2 ARG 29 2HH1 ARG 29 -4.424 9.094 -1.687 242 2HH2 ARG 29 1HH1 ARG 29 -4.120 9.945 -3.165 243 H ILE 30 H ILE 30 -3.073 3.056 0.754 244 HA ILE 30 HA ILE 30 -5.159 1.209 0.366 245 HB ILE 30 HB ILE 30 -4.220 2.679 2.434 246 1HG1 ILE 30 1HG1 ILE 30 -5.686 0.541 2.270 247 2HG1 ILE 30 2HG1 ILE 30 -5.734 1.512 3.728 248 1HG2 ILE 30 1HG2 ILE 30 -6.080 4.165 3.168 249 2HG2 ILE 30 2HG2 ILE 30 -5.193 4.762 1.744 250 3HG2 ILE 30 3HG2 ILE 30 -6.792 4.007 1.544 251 1HD1 ILE 30 1HD1 ILE 30 -7.677 2.226 1.547 252 2HD1 ILE 30 2HD1 ILE 30 -7.980 0.735 2.471 253 3HD1 ILE 30 3HD1 ILE 30 -7.878 2.298 3.315 254 H ASP 31 H ASP 31 -7.369 1.567 -0.249 255 HA ASP 31 HA ASP 31 -7.935 4.105 -1.471 256 1HB ASP 31 1HB ASP 31 -7.561 1.521 -2.966 257 2HB ASP 31 2HB ASP 31 -8.903 2.530 -3.464 258 H GLU 32 H GLU 32 -10.321 4.317 -1.885 259 HA GLU 32 HA GLU 32 -11.791 2.368 -0.296 260 1HB GLU 32 1HB GLU 32 -11.703 4.881 0.353 261 2HB GLU 32 2HB GLU 32 -12.751 5.158 -1.024 262 1HG GLU 32 1HG GLU 32 -14.547 3.945 -0.081 263 2HG GLU 32 2HG GLU 32 -13.502 3.008 0.968 264 H MET 33 H MET 33 -14.218 2.173 -1.023 265 HA MET 33 HA MET 33 -14.132 1.336 -3.723 266 1HB MET 33 1HB MET 33 -16.564 0.725 -3.221 267 2HB MET 33 2HB MET 33 -15.418 0.055 -2.077 268 1HG MET 33 1HG MET 33 -16.178 2.690 -1.147 269 2HG MET 33 2HG MET 33 -17.641 1.810 -1.543 270 1HE MET 33 1HE MET 33 -17.327 1.827 2.128 271 2HE MET 33 2HE MET 33 -15.583 2.133 1.950 272 3HE MET 33 3HE MET 33 -16.748 2.992 0.914 273 HA PRO 34 HA PRO 34 -15.730 4.978 -5.490 274 1HB PRO 34 1HB PRO 34 -16.306 4.044 -7.993 275 2HB PRO 34 2HB PRO 34 -14.698 4.535 -7.500 276 1HG PRO 34 1HG PRO 34 -15.766 1.806 -7.881 277 2HG PRO 34 2HG PRO 34 -14.096 2.331 -7.808 278 1HD PRO 34 1HD PRO 34 -15.571 1.012 -5.731 279 2HD PRO 34 2HD PRO 34 -13.938 1.641 -5.622 280 H GLU 35 H GLU 35 -17.660 5.953 -6.606 281 HA GLU 35 HA GLU 35 -19.978 4.284 -6.227 282 1HB GLU 35 1HB GLU 35 -21.147 5.964 -4.842 283 2HB GLU 35 2HB GLU 35 -19.706 5.382 -4.034 284 1HG GLU 35 1HG GLU 35 -18.490 7.431 -5.083 285 2HG GLU 35 2HG GLU 35 -20.087 8.039 -5.471 286 H ALA 36 H ALA 36 -18.491 5.419 -8.529 287 HA ALA 36 HA ALA 36 -20.467 7.368 -9.491 288 1HB ALA 36 1HB ALA 36 -17.738 7.578 -9.396 289 2HB ALA 36 2HB ALA 36 -17.973 6.908 -11.028 290 3HB ALA 36 3HB ALA 36 -18.770 8.432 -10.569 291 H ALA 37 H ALA 37 -18.403 4.589 -10.617 292 HA ALA 37 HA ALA 37 -19.985 4.134 -12.904 293 1HB ALA 37 1HB ALA 37 -17.879 2.576 -11.384 294 2HB ALA 37 2HB ALA 37 -18.701 1.887 -12.803 295 3HB ALA 37 3HB ALA 37 -17.747 3.380 -12.965 296 H VAL 38 H VAL 38 -19.674 2.290 -9.781 297 HA VAL 38 HA VAL 38 -22.500 1.601 -10.068 298 HB VAL 38 HB VAL 38 -21.955 -0.711 -9.352 299 1HG1 VAL 38 1HG1 VAL 38 -21.883 0.413 -11.898 300 2HG1 VAL 38 2HG1 VAL 38 -20.436 -0.623 -11.845 301 3HG1 VAL 38 3HG1 VAL 38 -22.040 -1.316 -11.506 302 1HG2 VAL 38 1HG2 VAL 38 -19.830 -1.531 -9.103 303 2HG2 VAL 38 2HG2 VAL 38 -19.123 -0.363 -10.246 304 3HG2 VAL 38 3HG2 VAL 38 -19.549 0.152 -8.597 305 H LYS 39 H LYS 39 -23.118 0.358 -7.842 306 HA LYS 39 HA LYS 39 -22.053 2.109 -5.745 307 1HB LYS 39 1HB LYS 39 -24.744 0.741 -6.008 308 2HB LYS 39 2HB LYS 39 -24.218 1.627 -4.590 309 1HG LYS 39 1HG LYS 39 -24.692 3.626 -5.562 310 2HG LYS 39 2HG LYS 39 -23.758 3.227 -6.990 311 1HD LYS 39 1HD LYS 39 -26.246 1.680 -6.923 312 2HD LYS 39 2HD LYS 39 -26.584 3.395 -6.788 313 1HE LYS 39 1HE LYS 39 -24.556 2.592 -8.855 314 2HE LYS 39 2HE LYS 39 -26.219 2.140 -9.177 315 1HZ LYS 39 1HZ LYS 39 -26.850 4.428 -8.875 316 2HZ LYS 39 2HZ LYS 39 -25.315 4.860 -8.523 317 3HZ LYS 39 3HZ LYS 39 -25.691 4.324 -10.019 318 H SER 40 H SER 40 -20.155 0.652 -5.588 319 HA SER 40 HA SER 40 -20.326 -2.015 -5.096 320 1HB SER 40 1HB SER 40 -18.322 -0.077 -5.117 321 2HB SER 40 2HB SER 40 -18.281 -0.641 -3.459 322 HG SER 40 HG SER 40 -18.237 -2.411 -5.752 323 H THR 41 H THR 41 -19.783 -3.126 -2.888 324 HA THR 41 HA THR 41 -21.693 -2.091 -0.938 325 HB THR 41 HB THR 41 -21.791 -4.362 -0.190 326 HG1 THR 41 1HG THR 41 -19.332 -4.711 -1.749 327 1HG2 THR 41 1HG2 THR 41 -22.420 -5.494 -2.103 328 2HG2 THR 41 2HG2 THR 41 -22.141 -3.928 -2.901 329 3HG2 THR 41 3HG2 THR 41 -20.867 -5.172 -2.910 330 H ALA 42 H ALA 42 -21.140 -1.053 0.871 331 HA ALA 42 HA ALA 42 -18.335 -0.684 1.395 332 1HB ALA 42 1HB ALA 42 -20.144 1.106 1.507 333 2HB ALA 42 2HB ALA 42 -20.724 0.309 2.990 334 3HB ALA 42 3HB ALA 42 -19.084 0.996 2.934 335 H ASN 43 H ASN 43 -17.121 -1.890 2.766 336 HA ASN 43 HA ASN 43 -17.887 -2.724 5.216 337 1HB ASN 43 1HB ASN 43 -18.158 -5.255 4.792 338 2HB ASN 43 2HB ASN 43 -19.532 -4.263 4.347 339 1HD2 ASN 43 1HD2 ASN 43 -20.183 -4.114 2.282 340 2HD2 ASN 43 2HD2 ASN 43 -19.474 -4.958 0.946 341 H LYS 44 H LYS 44 -16.172 -3.410 2.153 342 HA LYS 44 HA LYS 44 -13.877 -4.396 3.696 343 1HB LYS 44 1HB LYS 44 -13.309 -5.771 1.951 344 2HB LYS 44 2HB LYS 44 -15.055 -5.789 1.811 345 1HG LYS 44 1HG LYS 44 -14.412 -3.563 0.289 346 2HG LYS 44 2HG LYS 44 -13.026 -4.596 -0.007 347 1HD LYS 44 1HD LYS 44 -14.312 -6.280 -1.022 348 2HD LYS 44 2HD LYS 44 -15.770 -5.842 -0.152 349 1HE LYS 44 1HE LYS 44 -15.771 -3.643 -1.507 350 2HE LYS 44 2HE LYS 44 -14.504 -4.349 -2.491 351 1HZ LYS 44 1HZ LYS 44 -17.065 -4.672 -2.983 352 2HZ LYS 44 2HZ LYS 44 -15.938 -5.768 -3.425 353 3HZ LYS 44 3HZ LYS 44 -16.819 -6.005 -2.071 354 H TYR 45 H TYR 45 -11.723 -3.853 2.300 355 HA TYR 45 HA TYR 45 -11.890 -0.961 1.769 356 1HB TYR 45 1HB TYR 45 -10.375 -2.632 3.605 357 2HB TYR 45 2HB TYR 45 -9.236 -2.044 2.409 358 HD1 TYR 45 1HD TYR 45 -10.648 0.665 1.917 359 HD2 TYR 45 2HD TYR 45 -9.530 -1.417 5.485 360 HE1 TYR 45 1HE TYR 45 -10.486 2.874 3.164 361 HE2 TYR 45 2HE TYR 45 -9.372 0.800 6.719 362 HH TYR 45 HH TYR 45 -9.410 2.961 6.543 363 H GLN 46 H GLN 46 -10.480 -0.102 0.111 364 HA GLN 46 HA GLN 46 -10.000 -2.096 -1.928 365 1HB GLN 46 1HB GLN 46 -11.153 0.402 -2.045 366 2HB GLN 46 2HB GLN 46 -9.516 0.776 -2.548 367 1HG GLN 46 1HG GLN 46 -9.643 -0.562 -4.470 368 2HG GLN 46 2HG GLN 46 -10.836 -1.641 -3.775 369 1HE2 GLN 46 1HE2 GLN 46 -10.321 1.669 -4.918 370 2HE2 GLN 46 2HE2 GLN 46 -11.929 1.969 -5.489 371 H VAL 47 H VAL 47 -7.955 -2.586 -2.754 372 HA VAL 47 HA VAL 47 -5.726 -1.154 -1.478 373 HB VAL 47 HB VAL 47 -6.359 -3.659 -0.891 374 1HG1 VAL 47 1HG1 VAL 47 -4.371 -4.233 -3.068 375 2HG1 VAL 47 2HG1 VAL 47 -5.530 -5.320 -2.264 376 3HG1 VAL 47 3HG1 VAL 47 -6.104 -4.141 -3.469 377 1HG2 VAL 47 1HG2 VAL 47 -4.414 -3.594 0.218 378 2HG2 VAL 47 2HG2 VAL 47 -3.465 -3.531 -1.284 379 3HG2 VAL 47 3HG2 VAL 47 -4.128 -2.032 -0.589 380 H PHE 48 H PHE 48 -4.025 -0.505 -2.806 381 HA PHE 48 HA PHE 48 -4.290 -1.227 -5.633 382 1HB PHE 48 1HB PHE 48 -4.862 1.272 -4.386 383 2HB PHE 48 2HB PHE 48 -3.246 1.489 -5.027 384 HD1 PHE 48 1HD PHE 48 -3.056 0.419 -7.553 385 HD2 PHE 48 2HD PHE 48 -6.550 2.018 -5.750 386 HE1 PHE 48 1HE PHE 48 -4.020 0.878 -9.824 387 HE2 PHE 48 2HE PHE 48 -7.512 2.477 -8.021 388 HZ PHE 48 HZ PHE 48 -6.235 1.902 -10.032 389 H PHE 49 H PHE 49 -2.496 -2.519 -5.893 390 HA PHE 49 HA PHE 49 -0.085 -1.961 -4.478 391 1HB PHE 49 1HB PHE 49 -0.390 -3.719 -6.955 392 2HB PHE 49 2HB PHE 49 0.605 -4.019 -5.545 393 HD1 PHE 49 1HD PHE 49 -2.609 -4.530 -7.076 394 HD2 PHE 49 2HD PHE 49 -0.509 -4.705 -3.392 395 HE1 PHE 49 1HE PHE 49 -4.407 -5.997 -6.120 396 HE2 PHE 49 2HE PHE 49 -2.308 -6.172 -2.436 397 HZ PHE 49 HZ PHE 49 -4.235 -6.801 -3.812 398 H PHE 50 H PHE 50 1.501 -0.561 -5.062 399 HA PHE 50 HA PHE 50 1.313 0.778 -7.575 400 1HB PHE 50 1HB PHE 50 3.020 0.769 -5.061 401 2HB PHE 50 2HB PHE 50 3.698 1.548 -6.477 402 HD1 PHE 50 1HD PHE 50 1.325 2.817 -7.673 403 HD2 PHE 50 2HD PHE 50 2.487 2.495 -3.605 404 HE1 PHE 50 1HE PHE 50 0.037 4.903 -7.142 405 HE2 PHE 50 2HE PHE 50 1.200 4.583 -3.072 406 HZ PHE 50 HZ PHE 50 -0.010 5.762 -4.847 407 H GLY 51 H GLY 51 3.918 -1.208 -5.982 408 1HA GLY 51 1HA GLY 51 5.762 -1.386 -7.914 409 2HA GLY 51 2HA GLY 51 5.307 -2.746 -6.907 410 H THR 52 H THR 52 2.888 -3.618 -7.712 411 HA THR 52 HA THR 52 3.447 -4.595 -10.370 412 HB THR 52 HB THR 52 1.587 -6.124 -9.842 413 HG1 THR 52 1HG THR 52 1.307 -4.633 -7.362 414 1HG2 THR 52 1HG2 THR 52 2.276 -7.028 -7.631 415 2HG2 THR 52 2HG2 THR 52 3.717 -6.603 -8.585 416 3HG2 THR 52 3HG2 THR 52 3.162 -5.525 -7.281 417 H HIS 53 H HIS 53 1.376 -2.174 -8.831 418 HA HIS 53 HA HIS 53 0.175 -0.567 -9.740 419 1HB HIS 53 1HB HIS 53 1.864 -1.335 -11.904 420 2HB HIS 53 2HB HIS 53 0.257 -1.090 -12.560 421 HD1 HIS 53 1HD HIS 53 3.226 0.729 -11.343 422 HD2 HIS 53 2HD HIS 53 -0.819 1.588 -12.051 423 HE1 HIS 53 1HE HIS 53 3.037 3.273 -11.406 424 H GLU 54 H GLU 54 -0.927 -3.055 -8.863 425 HA GLU 54 HA GLU 54 -3.145 -3.303 -10.743 426 1HB GLU 54 1HB GLU 54 -1.751 -5.329 -8.990 427 2HB GLU 54 2HB GLU 54 -3.441 -5.571 -9.386 428 1HG GLU 54 1HG GLU 54 -2.100 -4.824 -11.819 429 2HG GLU 54 2HG GLU 54 -1.115 -6.049 -11.042 430 H THR 55 H THR 55 -5.155 -4.357 -9.323 431 HA THR 55 HA THR 55 -5.335 -2.906 -6.790 432 HB THR 55 HB THR 55 -6.894 -2.417 -9.328 433 HG1 THR 55 1HG THR 55 -6.752 -0.272 -8.203 434 1HG2 THR 55 1HG2 THR 55 -8.015 -2.026 -6.503 435 2HG2 THR 55 2HG2 THR 55 -8.762 -1.453 -8.014 436 3HG2 THR 55 3HG2 THR 55 -8.642 -3.200 -7.684 437 H ALA 56 H ALA 56 -7.239 -3.603 -5.481 438 HA ALA 56 HA ALA 56 -8.687 -5.893 -6.177 439 1HB ALA 56 1HB ALA 56 -7.567 -7.577 -4.802 440 2HB ALA 56 2HB ALA 56 -6.437 -6.960 -6.031 441 3HB ALA 56 3HB ALA 56 -6.309 -6.404 -4.345 442 H PHE 57 H PHE 57 -9.499 -6.947 -3.883 443 HA PHE 57 HA PHE 57 -10.132 -4.600 -2.239 444 1HB PHE 57 1HB PHE 57 -12.244 -5.853 -1.782 445 2HB PHE 57 2HB PHE 57 -12.011 -5.722 -3.516 446 HD1 PHE 57 1HD PHE 57 -12.298 -7.970 -0.709 447 HD2 PHE 57 2HD PHE 57 -11.173 -7.705 -4.792 448 HE1 PHE 57 1HE PHE 57 -12.478 -10.465 -0.921 449 HE2 PHE 57 2HE PHE 57 -11.353 -10.200 -5.004 450 HZ PHE 57 HZ PHE 57 -12.004 -11.550 -3.065 451 H LEU 58 H LEU 58 -8.795 -4.620 -0.469 452 HA LEU 58 HA LEU 58 -8.619 -7.177 0.963 453 1HB LEU 58 1HB LEU 58 -6.483 -5.108 0.472 454 2HB LEU 58 2HB LEU 58 -6.367 -6.310 1.743 455 HG LEU 58 HG LEU 58 -6.561 -6.870 -1.229 456 1HD1 LEU 58 1HD1 LEU 58 -4.386 -5.922 -0.155 457 2HD1 LEU 58 2HD1 LEU 58 -4.215 -7.563 0.514 458 3HD1 LEU 58 3HD1 LEU 58 -4.294 -7.323 -1.248 459 1HD2 LEU 58 1HD2 LEU 58 -5.744 -9.187 0.112 460 2HD2 LEU 58 2HD2 LEU 58 -7.115 -8.559 1.055 461 3HD2 LEU 58 3HD2 LEU 58 -7.307 -8.889 -0.684 462 H GLY 59 H GLY 59 -7.766 -6.571 3.372 463 1HA GLY 59 1HA GLY 59 -9.555 -4.399 4.292 464 2HA GLY 59 2HA GLY 59 -9.319 -5.915 5.139 465 HA PRO 60 HA PRO 60 -6.325 -3.071 6.949 466 1HB PRO 60 1HB PRO 60 -6.864 -3.634 9.568 467 2HB PRO 60 2HB PRO 60 -7.625 -2.320 8.694 468 1HG PRO 60 1HG PRO 60 -8.764 -4.936 9.469 469 2HG PRO 60 2HG PRO 60 -9.601 -3.472 8.988 470 1HD PRO 60 1HD PRO 60 -9.173 -5.811 7.382 471 2HD PRO 60 2HD PRO 60 -9.907 -4.305 6.867 472 H LYS 61 H LYS 61 -7.040 -6.347 8.001 473 HA LYS 61 HA LYS 61 -4.530 -6.865 9.069 474 1HB LYS 61 1HB LYS 61 -5.158 -9.232 8.815 475 2HB LYS 61 2HB LYS 61 -6.447 -8.272 9.513 476 1HG LYS 61 1HG LYS 61 -7.338 -8.027 7.070 477 2HG LYS 61 2HG LYS 61 -6.238 -9.329 6.668 478 1HD LYS 61 1HD LYS 61 -8.280 -10.441 7.155 479 2HD LYS 61 2HD LYS 61 -7.328 -10.655 8.610 480 1HE LYS 61 1HE LYS 61 -8.945 -9.632 9.825 481 2HE LYS 61 2HE LYS 61 -8.717 -8.161 8.900 482 1HZ LYS 61 1HZ LYS 61 -10.932 -9.638 8.878 483 2HZ LYS 61 2HZ LYS 61 -10.519 -8.584 7.700 484 3HZ LYS 61 3HZ LYS 61 -10.198 -10.176 7.522 485 H ASP 62 H ASP 62 -5.797 -7.145 5.706 486 HA ASP 62 HA ASP 62 -3.541 -8.379 4.683 487 1HB ASP 62 1HB ASP 62 -5.850 -6.794 3.593 488 2HB ASP 62 2HB ASP 62 -4.463 -6.972 2.536 489 H LEU 63 H LEU 63 -4.032 -5.234 5.977 490 HA LEU 63 HA LEU 63 -1.778 -4.161 4.426 491 1HB LEU 63 1HB LEU 63 -4.352 -3.111 4.916 492 2HB LEU 63 2HB LEU 63 -3.243 -2.164 5.886 493 HG LEU 63 HG LEU 63 -2.048 -1.396 4.016 494 1HD1 LEU 63 1HD1 LEU 63 -2.918 -3.907 2.803 495 2HD1 LEU 63 2HD1 LEU 63 -3.036 -2.521 1.693 496 3HD1 LEU 63 3HD1 LEU 63 -1.484 -2.905 2.474 497 1HD2 LEU 63 1HD2 LEU 63 -4.344 -0.444 4.303 498 2HD2 LEU 63 2HD2 LEU 63 -3.684 -0.307 2.655 499 3HD2 LEU 63 3HD2 LEU 63 -4.904 -1.549 3.025 500 H PHE 64 H PHE 64 0.112 -4.173 5.504 501 HA PHE 64 HA PHE 64 -0.046 -4.077 8.432 502 1HB PHE 64 1HB PHE 64 1.395 -5.658 6.407 503 2HB PHE 64 2HB PHE 64 2.552 -4.841 7.440 504 HD1 PHE 64 1HD PHE 64 -0.306 -7.190 7.452 505 HD2 PHE 64 2HD PHE 64 2.952 -5.588 9.650 506 HE1 PHE 64 1HE PHE 64 -0.611 -8.965 9.199 507 HE2 PHE 64 2HE PHE 64 2.647 -7.363 11.398 508 HZ PHE 64 HZ PHE 64 0.868 -9.030 11.152 509 HA PRO 65 HA PRO 65 2.041 -0.276 8.174 510 1HB PRO 65 1HB PRO 65 2.694 0.048 10.808 511 2HB PRO 65 2HB PRO 65 1.117 0.442 10.155 512 1HG PRO 65 1HG PRO 65 1.913 -1.877 11.806 513 2HG PRO 65 2HG PRO 65 0.308 -1.243 11.506 514 1HD PRO 65 1HD PRO 65 1.480 -3.577 10.319 515 2HD PRO 65 2HD PRO 65 -0.080 -2.876 9.935 516 H TYR 66 H TYR 66 4.145 0.865 8.744 517 HA TYR 66 HA TYR 66 6.206 -1.005 8.009 518 1HB TYR 66 1HB TYR 66 6.256 1.190 6.986 519 2HB TYR 66 2HB TYR 66 5.807 1.986 8.481 520 HD1 TYR 66 1HD TYR 66 8.610 0.271 6.737 521 HD2 TYR 66 2HD TYR 66 7.460 2.810 9.983 522 HE1 TYR 66 1HE TYR 66 11.054 0.806 7.193 523 HE2 TYR 66 2HE TYR 66 9.907 3.336 10.428 524 HH TYR 66 HH TYR 66 12.189 3.098 8.453 525 H GLU 67 H GLU 67 5.277 0.990 10.863 526 HA GLU 67 HA GLU 67 7.548 0.711 12.322 527 1HB GLU 67 1HB GLU 67 4.789 1.452 12.786 528 2HB GLU 67 2HB GLU 67 5.337 0.469 14.129 529 1HG GLU 67 1HG GLU 67 7.448 1.975 14.180 530 2HG GLU 67 2HG GLU 67 6.593 3.040 13.081 531 H GLU 68 H GLU 68 4.667 -1.500 12.243 532 HA GLU 68 HA GLU 68 5.815 -3.322 14.031 533 1HB GLU 68 1HB GLU 68 3.361 -3.062 12.461 534 2HB GLU 68 2HB GLU 68 3.932 -4.718 12.446 535 1HG GLU 68 1HG GLU 68 3.830 -4.915 14.818 536 2HG GLU 68 2HG GLU 68 3.836 -3.179 15.060 537 H SER 69 H SER 69 5.559 -3.185 10.424 538 HA SER 69 HA SER 69 6.631 -5.635 9.888 539 1HB SER 69 1HB SER 69 6.935 -4.852 7.669 540 2HB SER 69 2HB SER 69 5.606 -3.890 8.288 541 HG SER 69 HG SER 69 8.280 -3.121 7.687 542 H LYS 70 H LYS 70 8.303 -2.435 10.287 543 HA LYS 70 HA LYS 70 10.884 -3.527 9.911 544 1HB LYS 70 1HB LYS 70 11.584 -1.380 10.022 545 2HB LYS 70 2HB LYS 70 9.880 -1.045 9.787 546 1HG LYS 70 1HG LYS 70 9.888 -1.301 12.498 547 2HG LYS 70 2HG LYS 70 11.548 -0.786 12.273 548 1HD LYS 70 1HD LYS 70 10.800 1.221 11.035 549 2HD LYS 70 2HD LYS 70 9.132 0.687 11.121 550 1HE LYS 70 1HE LYS 70 9.057 2.008 12.998 551 2HE LYS 70 2HE LYS 70 9.774 0.616 13.784 552 1HZ LYS 70 1HZ LYS 70 11.037 3.082 12.949 553 2HZ LYS 70 2HZ LYS 70 11.260 2.210 14.311 554 3HZ LYS 70 3HZ LYS 70 11.944 1.726 12.908 555 H GLU 71 H GLU 71 8.597 -3.668 12.486 556 HA GLU 71 HA GLU 71 10.412 -3.661 14.618 557 1HB GLU 71 1HB GLU 71 7.790 -3.407 14.567 558 2HB GLU 71 2HB GLU 71 7.777 -5.157 14.657 559 1HG GLU 71 1HG GLU 71 9.650 -4.413 16.622 560 2HG GLU 71 2HG GLU 71 8.411 -3.183 16.754 561 H LYS 72 H LYS 72 8.958 -6.251 12.567 562 HA LYS 72 HA LYS 72 10.756 -8.160 13.881 563 1HB LYS 72 1HB LYS 72 9.121 -9.765 12.520 564 2HB LYS 72 2HB LYS 72 8.741 -9.173 14.124 565 1HG LYS 72 1HG LYS 72 7.179 -7.599 13.334 566 2HG LYS 72 2HG LYS 72 7.930 -7.485 11.755 567 1HD LYS 72 1HD LYS 72 6.580 -10.047 12.702 568 2HD LYS 72 2HD LYS 72 5.677 -8.769 11.915 569 1HE LYS 72 1HE LYS 72 7.421 -8.904 10.002 570 2HE LYS 72 2HE LYS 72 7.987 -10.384 10.754 571 1HZ LYS 72 1HZ LYS 72 6.386 -10.999 9.200 572 2HZ LYS 72 2HZ LYS 72 5.620 -11.130 10.636 573 3HZ LYS 72 3HZ LYS 72 5.321 -9.852 9.665 574 H PHE 73 H PHE 73 9.275 -7.694 10.591 575 HA PHE 73 HA PHE 73 11.982 -7.964 9.507 576 1HB PHE 73 1HB PHE 73 9.430 -9.527 9.051 577 2HB PHE 73 2HB PHE 73 10.369 -9.168 7.616 578 HD1 PHE 73 1HD PHE 73 10.195 -11.134 10.661 579 HD2 PHE 73 2HD PHE 73 12.653 -10.076 7.368 580 HE1 PHE 73 1HE PHE 73 11.684 -13.096 11.143 581 HE2 PHE 73 2HE PHE 73 14.144 -12.037 7.851 582 HZ PHE 73 HZ PHE 73 13.642 -13.524 9.733 583 H GLY 74 H GLY 74 8.822 -7.829 7.800 584 1HA GLY 74 1HA GLY 74 7.856 -6.204 6.568 585 2HA GLY 74 2HA GLY 74 8.881 -5.017 7.350 586 H LYS 75 H LYS 75 10.521 -7.771 5.924 587 HA LYS 75 HA LYS 75 11.221 -6.093 3.615 588 1HB LYS 75 1HB LYS 75 13.106 -8.069 4.899 589 2HB LYS 75 2HB LYS 75 13.472 -6.788 3.762 590 1HG LYS 75 1HG LYS 75 12.395 -6.307 6.581 591 2HG LYS 75 2HG LYS 75 14.097 -6.257 6.163 592 1HD LYS 75 1HD LYS 75 11.924 -4.465 4.978 593 2HD LYS 75 2HD LYS 75 13.107 -3.977 6.174 594 1HE LYS 75 1HE LYS 75 14.483 -3.398 4.464 595 2HE LYS 75 2HE LYS 75 14.665 -5.104 4.109 596 1HZ LYS 75 1HZ LYS 75 12.343 -3.663 3.094 597 2HZ LYS 75 2HZ LYS 75 13.775 -3.542 2.318 598 3HZ LYS 75 3HZ LYS 75 13.063 -5.001 2.496 599 HA PRO 76 HA PRO 76 9.386 -9.745 1.876 600 1HB PRO 76 1HB PRO 76 8.327 -8.532 -0.331 601 2HB PRO 76 2HB PRO 76 7.454 -8.706 1.179 602 1HG PRO 76 1HG PRO 76 8.717 -6.289 0.036 603 2HG PRO 76 2HG PRO 76 7.503 -6.403 1.295 604 1HD PRO 76 1HD PRO 76 10.300 -5.882 1.651 605 2HD PRO 76 2HD PRO 76 9.108 -6.110 2.914 606 H ASN 77 H ASN 77 9.505 -10.791 -0.394 607 HA ASN 77 HA ASN 77 12.098 -11.263 -0.893 608 1HB ASN 77 1HB ASN 77 9.987 -11.174 -3.103 609 2HB ASN 77 2HB ASN 77 11.377 -12.238 -3.016 610 1HD2 ASN 77 1HD2 ASN 77 8.261 -11.429 -1.621 611 2HD2 ASN 77 2HD2 ASN 77 7.931 -12.951 -0.862 612 H LYS 78 H LYS 78 13.769 -10.086 -1.867 613 HA LYS 78 HA LYS 78 13.135 -7.480 -2.910 614 1HB LYS 78 1HB LYS 78 15.377 -8.765 -1.672 615 2HB LYS 78 2HB LYS 78 15.896 -8.128 -3.218 616 1HG LYS 78 1HG LYS 78 14.161 -6.363 -1.498 617 2HG LYS 78 2HG LYS 78 15.823 -6.598 -0.998 618 1HD LYS 78 1HD LYS 78 15.916 -6.122 -3.812 619 2HD LYS 78 2HD LYS 78 14.780 -4.954 -3.168 620 1HE LYS 78 1HE LYS 78 16.391 -3.906 -1.824 621 2HE LYS 78 2HE LYS 78 17.367 -5.353 -1.671 622 1HZ LYS 78 1HZ LYS 78 18.506 -3.980 -3.125 623 2HZ LYS 78 2HZ LYS 78 17.795 -5.065 -4.119 624 3HZ LYS 78 3HZ LYS 78 17.176 -3.561 -3.976 625 H ARG 79 H ARG 79 11.909 -7.950 -4.808 626 HA ARG 79 HA ARG 79 13.362 -9.429 -6.825 627 1HB ARG 79 1HB ARG 79 10.461 -8.630 -6.441 628 2HB ARG 79 2HB ARG 79 11.026 -9.011 -8.057 629 1HG ARG 79 1HG ARG 79 11.456 -10.876 -5.680 630 2HG ARG 79 2HG ARG 79 10.045 -10.971 -6.713 631 1HD ARG 79 1HD ARG 79 11.382 -11.509 -8.662 632 2HD ARG 79 2HD ARG 79 12.872 -11.074 -7.848 633 HE ARG 79 HE ARG 79 11.451 -13.186 -6.433 634 1HH1 ARG 79 2HH2 ARG 79 13.608 -12.547 -9.139 635 2HH1 ARG 79 1HH2 ARG 79 14.278 -14.143 -9.147 636 1HH2 ARG 79 2HH1 ARG 79 12.335 -15.293 -6.443 637 2HH2 ARG 79 1HH1 ARG 79 13.549 -15.717 -7.603 638 H LYS 80 H LYS 80 12.429 -8.352 -9.200 639 HA LYS 80 HA LYS 80 13.939 -5.972 -9.385 640 1HB LYS 80 1HB LYS 80 13.328 -7.910 -11.122 641 2HB LYS 80 2HB LYS 80 12.049 -6.789 -11.549 642 1HG LYS 80 1HG LYS 80 13.730 -4.976 -11.881 643 2HG LYS 80 2HG LYS 80 15.017 -6.072 -11.417 644 1HD LYS 80 1HD LYS 80 13.143 -6.786 -13.699 645 2HD LYS 80 2HD LYS 80 14.502 -5.714 -13.973 646 1HE LYS 80 1HE LYS 80 15.340 -8.068 -12.439 647 2HE LYS 80 2HE LYS 80 14.551 -8.551 -13.927 648 1HZ LYS 80 1HZ LYS 80 16.278 -6.399 -14.414 649 2HZ LYS 80 2HZ LYS 80 17.096 -7.587 -13.648 650 3HZ LYS 80 3HZ LYS 80 16.316 -7.905 -15.047 651 H GLY 81 H GLY 81 10.400 -6.721 -9.461 652 1HA GLY 81 1HA GLY 81 9.626 -3.996 -9.786 653 2HA GLY 81 2HA GLY 81 8.605 -5.355 -9.361 654 H PHE 82 H PHE 82 11.013 -5.689 -7.155 655 HA PHE 82 HA PHE 82 9.446 -4.421 -5.111 656 1HB PHE 82 1HB PHE 82 10.455 -6.662 -4.790 657 2HB PHE 82 2HB PHE 82 12.034 -6.067 -5.261 658 HD1 PHE 82 1HD PHE 82 12.918 -4.054 -3.738 659 HD2 PHE 82 2HD PHE 82 10.049 -6.943 -2.540 660 HE1 PHE 82 1HE PHE 82 13.467 -3.603 -1.330 661 HE2 PHE 82 2HE PHE 82 10.599 -6.491 -0.132 662 HZ PHE 82 HZ PHE 82 12.301 -4.827 0.443 663 H SER 83 H SER 83 12.794 -4.133 -6.472 664 HA SER 83 HA SER 83 13.528 -2.085 -4.725 665 1HB SER 83 1HB SER 83 15.181 -3.460 -5.915 666 2HB SER 83 2HB SER 83 14.606 -2.881 -7.466 667 HG SER 83 HG SER 83 15.992 -1.273 -7.269 668 H GLU 84 H GLU 84 12.471 -2.078 -8.208 669 HA GLU 84 HA GLU 84 12.477 0.721 -8.356 670 1HB GLU 84 1HB GLU 84 11.793 0.423 -10.568 671 2HB GLU 84 2HB GLU 84 12.554 -1.122 -10.240 672 1HG GLU 84 1HG GLU 84 10.279 -2.056 -9.620 673 2HG GLU 84 2HG GLU 84 9.561 -0.528 -10.089 674 H GLY 85 H GLY 85 10.110 -1.723 -7.343 675 1HA GLY 85 1HA GLY 85 7.778 -0.148 -7.556 676 2HA GLY 85 2HA GLY 85 8.006 -1.570 -6.559 677 H LEU 86 H LEU 86 9.890 -0.963 -4.702 678 HA LEU 86 HA LEU 86 8.511 0.674 -2.919 679 1HB LEU 86 1HB LEU 86 9.780 -0.793 -1.793 680 2HB LEU 86 2HB LEU 86 11.046 -0.816 -3.005 681 HG LEU 86 HG LEU 86 11.838 0.038 -0.849 682 1HD1 LEU 86 1HD1 LEU 86 13.320 1.254 -1.964 683 2HD1 LEU 86 2HD1 LEU 86 12.248 1.187 -3.382 684 3HD1 LEU 86 3HD1 LEU 86 12.129 2.547 -2.240 685 1HD2 LEU 86 1HD2 LEU 86 10.798 2.648 -0.736 686 2HD2 LEU 86 2HD2 LEU 86 9.398 1.571 -0.954 687 3HD2 LEU 86 3HD2 LEU 86 10.520 1.310 0.403 688 H TRP 87 H TRP 87 10.908 1.365 -5.420 689 HA TRP 87 HA TRP 87 11.450 3.995 -4.346 690 1HB TRP 87 1HB TRP 87 12.752 2.182 -6.096 691 2HB TRP 87 2HB TRP 87 12.396 3.624 -7.025 692 HD1 TRP 87 HD TRP 87 13.593 5.951 -6.157 693 HE1 TRP 87 1HE TRP 87 15.756 6.467 -4.735 694 HE3 TRP 87 3HE TRP 87 14.060 1.280 -4.204 695 HZ2 TRP 87 2HZ TRP 87 17.384 4.898 -2.993 696 HZ3 TRP 87 3HZ TRP 87 15.964 0.857 -2.651 697 HH2 TRP 87 HH TRP 87 17.592 2.573 -2.039 698 H GLU 88 H GLU 88 9.196 2.339 -6.449 699 HA GLU 88 HA GLU 88 8.585 4.563 -8.064 700 1HB GLU 88 1HB GLU 88 7.503 1.816 -7.614 701 2HB GLU 88 2HB GLU 88 6.353 2.983 -8.233 702 1HG GLU 88 1HG GLU 88 8.838 3.325 -9.674 703 2HG GLU 88 2HG GLU 88 8.445 1.617 -9.665 704 H ILE 89 H ILE 89 7.714 3.525 -4.828 705 HA ILE 89 HA ILE 89 5.449 5.373 -4.800 706 HB ILE 89 HB ILE 89 4.720 3.389 -3.930 707 1HG1 ILE 89 1HG1 ILE 89 4.432 5.339 -2.347 708 2HG1 ILE 89 2HG1 ILE 89 4.262 3.743 -1.644 709 1HG2 ILE 89 1HG2 ILE 89 6.478 1.927 -3.869 710 2HG2 ILE 89 2HG2 ILE 89 7.528 3.044 -2.963 711 3HG2 ILE 89 3HG2 ILE 89 6.218 2.177 -2.126 712 1HD1 ILE 89 1HD1 ILE 89 5.840 4.316 -0.125 713 2HD1 ILE 89 2HD1 ILE 89 7.030 4.342 -1.447 714 3HD1 ILE 89 3HD1 ILE 89 6.178 5.836 -0.988 715 H GLU 90 H GLU 90 8.607 4.633 -3.222 716 HA GLU 90 HA GLU 90 8.407 6.875 -1.516 717 1HB GLU 90 1HB GLU 90 10.544 4.858 -2.206 718 2HB GLU 90 2HB GLU 90 11.010 6.311 -1.344 719 1HG GLU 90 1HG GLU 90 8.807 4.393 -0.449 720 2HG GLU 90 2HG GLU 90 10.437 4.405 0.192 721 H ASN 91 H ASN 91 9.619 6.244 -4.787 722 HA ASN 91 HA ASN 91 10.352 9.058 -4.909 723 1HB ASN 91 1HB ASN 91 11.815 6.831 -6.412 724 2HB ASN 91 2HB ASN 91 12.273 8.520 -6.340 725 1HD2 ASN 91 1HD2 ASN 91 11.385 5.917 -4.067 726 2HD2 ASN 91 2HD2 ASN 91 12.681 6.157 -2.943 727 H ASN 92 H ASN 92 7.961 8.948 -5.712 728 HA ASN 92 HA ASN 92 7.454 7.579 -8.115 729 1HB ASN 92 1HB ASN 92 5.374 9.152 -8.110 730 2HB ASN 92 2HB ASN 92 5.538 8.048 -6.760 731 1HD2 ASN 92 1HD2 ASN 92 4.356 9.298 -5.371 732 2HD2 ASN 92 2HD2 ASN 92 4.918 10.789 -4.693 733 HA PRO 93 HA PRO 93 8.941 10.694 -10.828 734 1HB PRO 93 1HB PRO 93 7.689 9.981 -13.149 735 2HB PRO 93 2HB PRO 93 9.144 9.196 -12.564 736 1HG PRO 93 1HG PRO 93 6.360 8.202 -12.531 737 2HG PRO 93 2HG PRO 93 7.850 7.299 -12.356 738 1HD PRO 93 1HD PRO 93 6.036 8.040 -10.262 739 2HD PRO 93 2HD PRO 93 7.582 7.238 -10.073 740 H THR 94 H THR 94 5.491 10.186 -10.684 741 HA THR 94 HA THR 94 5.190 13.090 -10.781 742 HB THR 94 HB THR 94 3.886 11.057 -12.654 743 HG1 THR 94 1HG THR 94 5.285 12.131 -14.002 744 1HG2 THR 94 1HG2 THR 94 3.186 14.000 -12.159 745 2HG2 THR 94 2HG2 THR 94 2.607 13.036 -13.539 746 3HG2 THR 94 3HG2 THR 94 2.106 12.613 -11.886 747 H VAL 95 H VAL 95 4.933 12.809 -8.473 748 HA VAL 95 HA VAL 95 3.038 11.111 -7.358 749 HB VAL 95 HB VAL 95 4.849 12.249 -6.156 750 1HG1 VAL 95 1HG1 VAL 95 5.043 14.505 -5.874 751 2HG1 VAL 95 2HG1 VAL 95 4.188 14.509 -7.435 752 3HG1 VAL 95 3HG1 VAL 95 3.286 14.781 -5.925 753 1HG2 VAL 95 1HG2 VAL 95 2.537 11.467 -5.140 754 2HG2 VAL 95 2HG2 VAL 95 3.730 12.334 -4.142 755 3HG2 VAL 95 3HG2 VAL 95 2.338 13.208 -4.824 756 H LYS 96 H LYS 96 1.005 11.026 -8.264 757 HA LYS 96 HA LYS 96 -0.331 13.332 -9.187 758 1HB LYS 96 1HB LYS 96 -2.262 11.802 -9.407 759 2HB LYS 96 2HB LYS 96 -0.802 11.174 -10.143 760 1HG LYS 96 1HG LYS 96 -0.613 9.444 -8.633 761 2HG LYS 96 2HG LYS 96 -1.160 10.417 -7.283 762 1HD LYS 96 1HD LYS 96 -3.377 9.865 -7.598 763 2HD LYS 96 2HD LYS 96 -3.246 9.881 -9.345 764 1HE LYS 96 1HE LYS 96 -1.631 7.698 -8.342 765 2HE LYS 96 2HE LYS 96 -3.209 7.603 -7.584 766 1HZ LYS 96 1HZ LYS 96 -2.735 6.642 -9.958 767 2HZ LYS 96 2HZ LYS 96 -4.202 7.232 -9.550 768 3HZ LYS 96 3HZ LYS 96 -3.166 8.148 -10.419 769 H ALA 97 H ALA 97 -0.119 11.637 -6.066 770 HA ALA 97 HA ALA 97 -1.425 13.889 -4.826 771 1HB ALA 97 1HB ALA 97 -2.588 11.388 -3.832 772 2HB ALA 97 2HB ALA 97 -3.388 12.906 -4.302 773 3HB ALA 97 3HB ALA 97 -2.989 11.692 -5.539 774 H SER 98 H SER 98 -1.306 13.621 -2.350 775 HA SER 98 HA SER 98 0.579 11.686 -1.457 776 1HB SER 98 1HB SER 98 1.558 14.226 -2.339 777 2HB SER 98 2HB SER 98 1.646 14.241 -0.589 778 HG SER 98 HG SER 98 2.582 11.879 -1.110 779 H GLY 99 H GLY 99 -0.685 15.001 -0.614 780 1HA GLY 99 1HA GLY 99 -1.226 14.122 2.106 781 2HA GLY 99 2HA GLY 99 -1.364 15.743 1.456 782 H TYR 100 H TYR 100 -3.487 16.031 2.367 783 HA TYR 100 HA TYR 100 -5.560 14.231 1.384 784 1HB TYR 100 1HB TYR 100 -6.325 14.778 3.507 785 2HB TYR 100 2HB TYR 100 -4.955 15.851 3.716 786 HD1 TYR 100 1HD TYR 100 -8.167 15.909 1.756 787 HD2 TYR 100 2HD TYR 100 -5.511 17.992 4.384 788 HE1 TYR 100 1HE TYR 100 -9.730 17.914 1.758 789 HE2 TYR 100 2HE TYR 100 -7.083 19.991 4.378 790 HH TYR 100 HH TYR 100 -9.026 20.746 3.775 Start of MODEL 8 1 H MET 1 H MET 1 13.447 16.767 9.271 2 HA MET 1 HA MET 1 11.768 17.510 7.531 3 1HB MET 1 1HB MET 1 13.539 18.326 5.968 4 2HB MET 1 2HB MET 1 14.227 16.719 5.874 5 1HG MET 1 1HG MET 1 11.313 16.928 5.201 6 2HG MET 1 2HG MET 1 12.414 17.685 4.067 7 1HE MET 1 1HE MET 1 13.870 16.850 2.725 8 2HE MET 1 2HE MET 1 14.375 15.168 2.437 9 3HE MET 1 3HE MET 1 12.804 15.743 1.827 10 H SER 2 H SER 2 10.441 15.835 8.118 11 HA SER 2 HA SER 2 10.763 13.361 6.909 12 1HB SER 2 1HB SER 2 11.156 11.927 8.896 13 2HB SER 2 2HB SER 2 12.525 12.973 8.576 14 HG SER 2 HG SER 2 11.290 14.478 10.195 15 H ARG 3 H ARG 3 8.606 13.097 6.452 16 HA ARG 3 HA ARG 3 6.613 14.287 7.937 17 1HB ARG 3 1HB ARG 3 5.065 13.022 6.519 18 2HB ARG 3 2HB ARG 3 6.427 13.526 5.538 19 1HG ARG 3 1HG ARG 3 7.419 11.146 6.312 20 2HG ARG 3 2HG ARG 3 5.722 10.767 6.538 21 1HD ARG 3 1HD ARG 3 5.209 11.051 4.241 22 2HD ARG 3 2HD ARG 3 6.602 12.074 3.948 23 HE ARG 3 HE ARG 3 6.542 9.190 3.798 24 1HH1 ARG 3 2HH2 ARG 3 8.628 11.871 4.714 25 2HH1 ARG 3 1HH2 ARG 3 10.095 11.002 4.404 26 1HH2 ARG 3 2HH1 ARG 3 8.476 8.043 3.387 27 2HH2 ARG 3 1HH1 ARG 3 10.007 8.811 3.645 28 H SER 4 H SER 4 4.966 13.342 9.357 29 HA SER 4 HA SER 4 5.962 10.936 10.667 30 1HB SER 4 1HB SER 4 5.449 13.429 11.766 31 2HB SER 4 2HB SER 4 3.953 12.582 12.104 32 HG SER 4 HG SER 4 6.546 11.451 12.703 33 H ASN 5 H ASN 5 4.766 9.119 10.248 34 HA ASN 5 HA ASN 5 2.195 9.430 9.067 35 1HB ASN 5 1HB ASN 5 2.270 6.970 8.832 36 2HB ASN 5 2HB ASN 5 3.812 7.646 8.343 37 1HD2 ASN 5 1HD2 ASN 5 2.478 5.182 9.919 38 2HD2 ASN 5 2HD2 ASN 5 3.689 4.795 11.097 39 H ARG 6 H ARG 6 0.455 7.657 9.996 40 HA ARG 6 HA ARG 6 0.068 8.456 12.710 41 1HB ARG 6 1HB ARG 6 -2.175 7.513 12.450 42 2HB ARG 6 2HB ARG 6 -1.797 8.424 11.002 43 1HG ARG 6 1HG ARG 6 -0.893 5.636 10.773 44 2HG ARG 6 2HG ARG 6 -2.606 5.720 11.132 45 1HD ARG 6 1HD ARG 6 -3.018 6.247 8.964 46 2HD ARG 6 2HD ARG 6 -2.122 7.740 9.167 47 HE ARG 6 HE ARG 6 -0.410 5.394 8.743 48 1HH1 ARG 6 2HH2 ARG 6 -2.220 7.976 7.184 49 2HH1 ARG 6 1HH2 ARG 6 -1.294 7.916 5.721 50 1HH2 ARG 6 2HH1 ARG 6 0.813 5.314 6.814 51 2HH2 ARG 6 1HH1 ARG 6 0.442 6.392 5.510 52 H GLN 7 H GLN 7 -1.171 6.424 14.023 53 HA GLN 7 HA GLN 7 0.853 4.327 13.978 54 1HB GLN 7 1HB GLN 7 -0.083 3.955 16.407 55 2HB GLN 7 2HB GLN 7 1.017 5.286 16.104 56 1HG GLN 7 1HG GLN 7 -1.994 5.666 15.899 57 2HG GLN 7 2HG GLN 7 -1.174 5.776 17.444 58 1HE2 GLN 7 1HE2 GLN 7 -2.362 7.541 15.021 59 2HE2 GLN 7 2HE2 GLN 7 -1.344 8.943 15.056 60 H LYS 8 H LYS 8 -2.668 5.043 14.280 61 HA LYS 8 HA LYS 8 -3.187 2.374 13.235 62 1HB LYS 8 1HB LYS 8 -4.842 1.865 14.901 63 2HB LYS 8 2HB LYS 8 -3.319 2.198 15.702 64 1HG LYS 8 1HG LYS 8 -5.218 4.504 15.283 65 2HG LYS 8 2HG LYS 8 -5.624 3.325 16.516 66 1HD LYS 8 1HD LYS 8 -2.794 4.035 16.702 67 2HD LYS 8 2HD LYS 8 -3.779 5.484 16.731 68 1HE LYS 8 1HE LYS 8 -4.856 3.282 18.411 69 2HE LYS 8 2HE LYS 8 -3.278 3.847 18.922 70 1HZ LYS 8 1HZ LYS 8 -4.456 6.145 18.524 71 2HZ LYS 8 2HZ LYS 8 -5.787 5.266 18.874 72 3HZ LYS 8 3HZ LYS 8 -4.562 5.354 19.949 73 H GLU 9 H GLU 9 -4.191 5.726 13.974 74 HA GLU 9 HA GLU 9 -6.599 5.541 12.544 75 1HB GLU 9 1HB GLU 9 -6.598 8.031 12.723 76 2HB GLU 9 2HB GLU 9 -6.278 7.252 14.259 77 1HG GLU 9 1HG GLU 9 -3.754 7.521 13.682 78 2HG GLU 9 2HG GLU 9 -4.275 8.607 12.408 79 H TYR 10 H TYR 10 -6.581 4.982 10.395 80 HA TYR 10 HA TYR 10 -4.934 6.652 8.644 81 1HB TYR 10 1HB TYR 10 -4.060 4.670 7.577 82 2HB TYR 10 2HB TYR 10 -4.016 4.243 9.276 83 HD1 TYR 10 1HD TYR 10 -5.015 3.168 6.083 84 HD2 TYR 10 2HD TYR 10 -6.245 3.072 10.180 85 HE1 TYR 10 1HE TYR 10 -6.448 1.122 5.612 86 HE2 TYR 10 2HE TYR 10 -7.674 1.026 9.694 87 HH TYR 10 HH TYR 10 -8.118 -0.125 6.411 88 H LYS 11 H LYS 11 -5.923 7.206 6.700 89 HA LYS 11 HA LYS 11 -8.445 5.864 6.094 90 1HB LYS 11 1HB LYS 11 -8.103 8.655 6.976 91 2HB LYS 11 2HB LYS 11 -9.023 8.481 5.495 92 1HG LYS 11 1HG LYS 11 -9.594 6.839 8.003 93 2HG LYS 11 2HG LYS 11 -10.382 8.367 7.668 94 1HD LYS 11 1HD LYS 11 -10.420 6.029 5.708 95 2HD LYS 11 2HD LYS 11 -11.654 6.259 6.931 96 1HE LYS 11 1HE LYS 11 -10.923 8.388 4.865 97 2HE LYS 11 2HE LYS 11 -12.217 7.229 4.637 98 1HZ LYS 11 1HZ LYS 11 -12.609 9.541 5.757 99 2HZ LYS 11 2HZ LYS 11 -13.476 8.228 6.195 100 3HZ LYS 11 3HZ LYS 11 -12.218 8.719 7.114 101 H CYS 12 H CYS 12 -9.225 7.013 3.823 102 HA CYS 12 HA CYS 12 -7.695 6.017 1.889 103 1HB CYS 12 1HB CYS 12 -8.818 7.493 0.316 104 2HB CYS 12 2HB CYS 12 -9.948 6.949 1.539 105 HG CYS 12 HG CYS 12 -8.818 9.270 3.005 106 H GLY 13 H GLY 13 -5.974 6.775 0.502 107 1HA GLY 13 1HA GLY 13 -4.322 8.211 -0.189 108 2HA GLY 13 2HA GLY 13 -4.759 9.352 1.067 109 H ASP 14 H ASP 14 -4.698 6.392 2.619 110 HA ASP 14 HA ASP 14 -2.250 7.030 3.868 111 1HB ASP 14 1HB ASP 14 -3.743 6.040 5.360 112 2HB ASP 14 2HB ASP 14 -4.399 4.955 4.152 113 H LEU 15 H LEU 15 -0.215 5.997 3.566 114 HA LEU 15 HA LEU 15 -0.162 3.956 1.454 115 1HB LEU 15 1HB LEU 15 0.949 6.370 1.287 116 2HB LEU 15 2HB LEU 15 2.243 5.566 2.154 117 HG LEU 15 HG LEU 15 2.974 5.153 0.056 118 1HD1 LEU 15 1HD1 LEU 15 0.897 2.952 0.156 119 2HD1 LEU 15 2HD1 LEU 15 2.453 2.938 -0.708 120 3HD1 LEU 15 3HD1 LEU 15 2.423 2.947 1.072 121 1HD2 LEU 15 1HD2 LEU 15 0.375 4.717 -1.316 122 2HD2 LEU 15 2HD2 LEU 15 0.723 6.368 -0.747 123 3HD2 LEU 15 3HD2 LEU 15 1.846 5.557 -1.866 124 H VAL 16 H VAL 16 0.760 1.986 1.886 125 HA VAL 16 HA VAL 16 2.569 1.642 4.049 126 HB VAL 16 HB VAL 16 -0.136 1.645 4.737 127 1HG1 VAL 16 1HG1 VAL 16 -0.174 -0.647 3.598 128 2HG1 VAL 16 2HG1 VAL 16 0.856 -1.207 4.938 129 3HG1 VAL 16 3HG1 VAL 16 -0.771 -0.569 5.272 130 1HG2 VAL 16 1HG2 VAL 16 0.790 0.637 6.909 131 2HG2 VAL 16 2HG2 VAL 16 2.372 0.636 6.093 132 3HG2 VAL 16 3HG2 VAL 16 1.503 2.168 6.348 133 H PHE 17 H PHE 17 2.730 -0.968 4.395 134 HA PHE 17 HA PHE 17 3.070 -1.948 1.683 135 1HB PHE 17 1HB PHE 17 3.825 -3.269 4.343 136 2HB PHE 17 2HB PHE 17 4.595 -3.512 2.789 137 HD1 PHE 17 1HD PHE 17 5.714 -2.640 5.610 138 HD2 PHE 17 2HD PHE 17 4.824 -0.572 2.014 139 HE1 PHE 17 1HE PHE 17 7.427 -0.900 6.189 140 HE2 PHE 17 2HE PHE 17 6.538 1.170 2.592 141 HZ PHE 17 HZ PHE 17 7.819 0.985 4.673 142 H ALA 18 H ALA 18 1.335 -2.997 0.814 143 HA ALA 18 HA ALA 18 -0.440 -4.449 2.592 144 1HB ALA 18 1HB ALA 18 -1.982 -4.340 0.843 145 2HB ALA 18 2HB ALA 18 -1.049 -2.845 0.597 146 3HB ALA 18 3HB ALA 18 -0.718 -4.278 -0.407 147 H LYS 19 H LYS 19 -0.816 -6.706 2.470 148 HA LYS 19 HA LYS 19 1.256 -8.149 0.966 149 1HB LYS 19 1HB LYS 19 0.993 -8.064 3.689 150 2HB LYS 19 2HB LYS 19 0.040 -9.483 3.306 151 1HG LYS 19 1HG LYS 19 1.886 -10.705 2.755 152 2HG LYS 19 2HG LYS 19 2.539 -9.423 1.755 153 1HD LYS 19 1HD LYS 19 4.147 -9.361 3.405 154 2HD LYS 19 2HD LYS 19 2.991 -8.290 4.173 155 1HE LYS 19 1HE LYS 19 2.805 -11.286 4.629 156 2HE LYS 19 2HE LYS 19 3.974 -10.340 5.528 157 1HZ LYS 19 1HZ LYS 19 1.794 -8.866 5.811 158 2HZ LYS 19 2HZ LYS 19 1.115 -10.349 5.728 159 3HZ LYS 19 3HZ LYS 19 2.240 -10.028 6.868 160 H MET 20 H MET 20 0.622 -9.832 -0.361 161 HA MET 20 HA MET 20 -2.243 -10.383 -0.344 162 1HB MET 20 1HB MET 20 -1.518 -8.902 -2.272 163 2HB MET 20 2HB MET 20 -0.383 -10.139 -2.774 164 1HG MET 20 1HG MET 20 -2.020 -11.427 -3.739 165 2HG MET 20 2HG MET 20 -3.128 -11.190 -2.403 166 1HE MET 20 1HE MET 20 -2.461 -9.512 -6.253 167 2HE MET 20 2HE MET 20 -2.700 -11.151 -5.601 168 3HE MET 20 3HE MET 20 -4.095 -10.213 -6.183 169 H LYS 21 H LYS 21 -2.867 -12.553 -1.037 170 HA LYS 21 HA LYS 21 -1.226 -14.546 -0.053 171 1HB LYS 21 1HB LYS 21 -3.748 -14.405 -1.623 172 2HB LYS 21 2HB LYS 21 -2.887 -15.930 -1.672 173 1HG LYS 21 1HG LYS 21 -3.107 -14.691 1.038 174 2HG LYS 21 2HG LYS 21 -4.628 -15.201 0.332 175 1HD LYS 21 1HD LYS 21 -3.128 -17.405 -0.244 176 2HD LYS 21 2HD LYS 21 -2.277 -16.859 1.186 177 1HE LYS 21 1HE LYS 21 -5.253 -16.841 1.424 178 2HE LYS 21 2HE LYS 21 -4.542 -18.431 1.234 179 1HZ LYS 21 1HZ LYS 21 -4.196 -16.531 3.388 180 2HZ LYS 21 2HZ LYS 21 -4.357 -18.155 3.450 181 3HZ LYS 21 3HZ LYS 21 -2.925 -17.491 3.028 182 H GLY 22 H GLY 22 0.549 -15.567 -0.820 183 1HA GLY 22 1HA GLY 22 1.880 -16.577 -2.389 184 2HA GLY 22 2HA GLY 22 0.897 -15.916 -3.681 185 H TYR 23 H TYR 23 1.100 -13.164 -2.150 186 HA TYR 23 HA TYR 23 3.762 -12.510 -3.219 187 1HB TYR 23 1HB TYR 23 1.262 -11.632 -3.994 188 2HB TYR 23 2HB TYR 23 1.547 -10.501 -2.687 189 HD1 TYR 23 1HD TYR 23 1.766 -8.476 -3.896 190 HD2 TYR 23 2HD TYR 23 4.124 -11.869 -5.008 191 HE1 TYR 23 1HE TYR 23 3.138 -7.018 -5.463 192 HE2 TYR 23 2HE TYR 23 5.488 -10.399 -6.570 193 HH TYR 23 HH TYR 23 4.657 -6.980 -7.013 194 HA PRO 24 HA PRO 24 4.688 -11.344 0.868 195 1HB PRO 24 1HB PRO 24 7.185 -10.327 0.432 196 2HB PRO 24 2HB PRO 24 6.872 -12.037 0.646 197 1HG PRO 24 1HG PRO 24 7.483 -10.562 -1.842 198 2HG PRO 24 2HG PRO 24 7.587 -12.285 -1.533 199 1HD PRO 24 1HD PRO 24 5.527 -10.923 -2.995 200 2HD PRO 24 2HD PRO 24 5.572 -12.628 -2.587 201 H HIS 25 H HIS 25 5.608 -9.374 2.138 202 HA HIS 25 HA HIS 25 3.845 -7.365 1.880 203 1HB HIS 25 1HB HIS 25 6.279 -7.852 3.299 204 2HB HIS 25 2HB HIS 25 6.322 -6.203 2.708 205 HD1 HIS 25 1HD HIS 25 5.443 -7.869 5.644 206 HD2 HIS 25 2HD HIS 25 3.433 -5.040 3.286 207 HE1 HIS 25 1HE HIS 25 3.693 -6.790 7.156 208 H TRP 26 H TRP 26 3.365 -5.874 0.349 209 HA TRP 26 HA TRP 26 5.570 -4.982 -1.374 210 1HB TRP 26 1HB TRP 26 3.529 -6.666 -2.202 211 2HB TRP 26 2HB TRP 26 2.974 -5.079 -2.701 212 HD1 TRP 26 HD TRP 26 4.448 -3.822 -4.623 213 HE1 TRP 26 1HE TRP 26 6.226 -4.611 -6.405 214 HE3 TRP 26 3HE TRP 26 5.396 -8.323 -2.456 215 HZ2 TRP 26 2HZ TRP 26 7.795 -6.976 -6.703 216 HZ3 TRP 26 3HZ TRP 26 7.065 -9.812 -3.557 217 HH2 TRP 26 HH TRP 26 8.247 -9.202 -5.607 218 HA PRO 27 HA PRO 27 3.970 -1.111 -0.214 219 1HB PRO 27 1HB PRO 27 5.170 0.496 -2.071 220 2HB PRO 27 2HB PRO 27 5.984 -0.075 -0.629 221 1HG PRO 27 1HG PRO 27 6.307 -0.985 -3.423 222 2HG PRO 27 2HG PRO 27 7.382 -1.226 -2.059 223 1HD PRO 27 1HD PRO 27 5.601 -3.162 -3.204 224 2HD PRO 27 2HD PRO 27 6.590 -3.365 -1.770 225 H ALA 28 H ALA 28 1.819 -0.868 -0.322 226 HA ALA 28 HA ALA 28 0.874 -0.063 -2.978 227 1HB ALA 28 1HB ALA 28 0.372 -2.502 -2.459 228 2HB ALA 28 2HB ALA 28 -0.639 -1.927 -1.113 229 3HB ALA 28 3HB ALA 28 -1.053 -1.485 -2.785 230 H ARG 29 H ARG 29 -1.174 1.213 -2.860 231 HA ARG 29 HA ARG 29 -1.129 2.744 -0.399 232 1HB ARG 29 1HB ARG 29 -0.789 3.867 -2.683 233 2HB ARG 29 2HB ARG 29 -2.456 3.474 -3.055 234 1HG ARG 29 1HG ARG 29 -3.246 4.802 -1.130 235 2HG ARG 29 2HG ARG 29 -1.598 5.103 -0.617 236 1HD ARG 29 1HD ARG 29 -2.034 7.073 -1.800 237 2HD ARG 29 2HD ARG 29 -1.315 6.102 -3.069 238 HE ARG 29 HE ARG 29 -4.217 5.763 -2.875 239 1HH1 ARG 29 2HH2 ARG 29 -1.634 7.707 -4.264 240 2HH1 ARG 29 1HH2 ARG 29 -2.604 8.290 -5.575 241 1HH2 ARG 29 2HH1 ARG 29 -5.497 6.531 -4.604 242 2HH2 ARG 29 1HH1 ARG 29 -4.817 7.618 -5.769 243 H ILE 30 H ILE 30 -3.323 3.594 0.390 244 HA ILE 30 HA ILE 30 -5.216 1.402 0.304 245 HB ILE 30 HB ILE 30 -4.285 2.930 2.324 246 1HG1 ILE 30 1HG1 ILE 30 -5.777 0.765 2.165 247 2HG1 ILE 30 2HG1 ILE 30 -5.678 1.694 3.647 248 1HG2 ILE 30 1HG2 ILE 30 -6.960 4.146 1.580 249 2HG2 ILE 30 2HG2 ILE 30 -6.039 4.449 3.074 250 3HG2 ILE 30 3HG2 ILE 30 -5.379 4.960 1.502 251 1HD1 ILE 30 1HD1 ILE 30 -7.814 2.298 1.572 252 2HD1 ILE 30 2HD1 ILE 30 -8.042 1.028 2.799 253 3HD1 ILE 30 3HD1 ILE 30 -7.800 2.718 3.302 254 H ASP 31 H ASP 31 -7.464 1.674 -0.240 255 HA ASP 31 HA ASP 31 -8.231 4.158 -1.411 256 1HB ASP 31 1HB ASP 31 -7.552 1.728 -3.047 257 2HB ASP 31 2HB ASP 31 -9.002 2.598 -3.507 258 H GLU 32 H GLU 32 -10.608 4.195 -1.749 259 HA GLU 32 HA GLU 32 -11.887 2.019 -0.310 260 1HB GLU 32 1HB GLU 32 -12.187 4.896 -0.304 261 2HB GLU 32 2HB GLU 32 -13.709 4.182 -0.799 262 1HG GLU 32 1HG GLU 32 -12.389 2.807 1.494 263 2HG GLU 32 2HG GLU 32 -12.886 4.454 1.825 264 H MET 33 H MET 33 -13.840 1.024 -1.148 265 HA MET 33 HA MET 33 -13.743 0.746 -3.954 266 1HB MET 33 1HB MET 33 -14.960 -0.557 -1.631 267 2HB MET 33 2HB MET 33 -16.171 -0.370 -2.884 268 1HG MET 33 1HG MET 33 -13.442 -1.708 -3.205 269 2HG MET 33 2HG MET 33 -14.993 -2.522 -3.163 270 1HE MET 33 1HE MET 33 -14.443 -3.313 -6.552 271 2HE MET 33 2HE MET 33 -12.883 -2.495 -6.299 272 3HE MET 33 3HE MET 33 -13.602 -3.465 -4.991 273 HA PRO 34 HA PRO 34 -16.590 4.029 -4.651 274 1HB PRO 34 1HB PRO 34 -16.285 4.159 -7.364 275 2HB PRO 34 2HB PRO 34 -15.245 5.012 -6.239 276 1HG PRO 34 1HG PRO 34 -14.673 2.574 -7.811 277 2HG PRO 34 2HG PRO 34 -13.547 3.666 -7.030 278 1HD PRO 34 1HD PRO 34 -14.352 1.077 -6.097 279 2HD PRO 34 2HD PRO 34 -13.317 2.218 -5.261 280 H GLU 35 H GLU 35 -18.510 4.470 -6.210 281 HA GLU 35 HA GLU 35 -19.699 1.907 -6.851 282 1HB GLU 35 1HB GLU 35 -21.900 2.811 -5.843 283 2HB GLU 35 2HB GLU 35 -20.682 2.240 -4.721 284 1HG GLU 35 1HG GLU 35 -19.922 4.537 -4.283 285 2HG GLU 35 2HG GLU 35 -20.980 5.168 -5.530 286 H ALA 36 H ALA 36 -18.456 4.075 -8.442 287 HA ALA 36 HA ALA 36 -20.822 5.198 -9.762 288 1HB ALA 36 1HB ALA 36 -18.470 6.299 -10.857 289 2HB ALA 36 2HB ALA 36 -19.578 7.071 -9.700 290 3HB ALA 36 3HB ALA 36 -18.159 6.174 -9.109 291 H ALA 37 H ALA 37 -17.579 3.726 -10.514 292 HA ALA 37 HA ALA 37 -18.263 3.182 -13.192 293 1HB ALA 37 1HB ALA 37 -16.217 1.490 -11.862 294 2HB ALA 37 2HB ALA 37 -16.093 2.506 -13.319 295 3HB ALA 37 3HB ALA 37 -15.967 3.246 -11.705 296 H VAL 38 H VAL 38 -18.086 1.098 -10.220 297 HA VAL 38 HA VAL 38 -20.127 -0.589 -11.445 298 HB VAL 38 HB VAL 38 -18.863 -2.597 -10.690 299 1HG1 VAL 38 1HG1 VAL 38 -18.081 -0.809 -12.929 300 2HG1 VAL 38 2HG1 VAL 38 -16.960 -2.140 -12.556 301 3HG1 VAL 38 3HG1 VAL 38 -18.661 -2.491 -12.947 302 1HG2 VAL 38 1HG2 VAL 38 -16.538 -2.487 -10.141 303 2HG2 VAL 38 2HG2 VAL 38 -16.472 -0.743 -10.494 304 3HG2 VAL 38 3HG2 VAL 38 -17.384 -1.332 -9.083 305 H LYS 39 H LYS 39 -20.738 -2.348 -9.598 306 HA LYS 39 HA LYS 39 -21.297 -0.692 -7.264 307 1HB LYS 39 1HB LYS 39 -22.534 -3.323 -8.123 308 2HB LYS 39 2HB LYS 39 -23.071 -2.304 -6.802 309 1HG LYS 39 1HG LYS 39 -24.219 -0.932 -8.207 310 2HG LYS 39 2HG LYS 39 -22.838 -0.741 -9.267 311 1HD LYS 39 1HD LYS 39 -23.972 -3.436 -9.512 312 2HD LYS 39 2HD LYS 39 -25.196 -2.216 -9.799 313 1HE LYS 39 1HE LYS 39 -23.895 -1.184 -11.566 314 2HE LYS 39 2HE LYS 39 -22.461 -2.097 -11.141 315 1HZ LYS 39 1HZ LYS 39 -23.939 -2.884 -13.055 316 2HZ LYS 39 2HZ LYS 39 -23.334 -3.998 -12.026 317 3HZ LYS 39 3HZ LYS 39 -24.890 -3.521 -11.889 318 H SER 40 H SER 40 -20.365 -1.042 -5.304 319 HA SER 40 HA SER 40 -18.612 -3.359 -5.174 320 1HB SER 40 1HB SER 40 -17.235 -2.138 -3.686 321 2HB SER 40 2HB SER 40 -17.735 -0.947 -4.870 322 HG SER 40 HG SER 40 -18.320 0.163 -3.119 323 H THR 41 H THR 41 -18.274 -3.959 -2.606 324 HA THR 41 HA THR 41 -20.990 -4.214 -1.485 325 HB THR 41 HB THR 41 -20.311 -6.493 -0.784 326 HG1 THR 41 1HG THR 41 -18.066 -6.281 -0.518 327 1HG2 THR 41 1HG2 THR 41 -19.842 -7.555 -3.018 328 2HG2 THR 41 2HG2 THR 41 -21.183 -6.386 -3.111 329 3HG2 THR 41 3HG2 THR 41 -19.566 -5.936 -3.704 330 H ALA 42 H ALA 42 -20.608 -5.124 0.970 331 HA ALA 42 HA ALA 42 -19.120 -2.936 2.183 332 1HB ALA 42 1HB ALA 42 -20.616 -3.101 3.915 333 2HB ALA 42 2HB ALA 42 -21.616 -3.847 2.645 334 3HB ALA 42 3HB ALA 42 -20.725 -4.874 3.795 335 H ASN 43 H ASN 43 -18.232 -3.772 4.541 336 HA ASN 43 HA ASN 43 -16.411 -4.658 5.376 337 1HB ASN 43 1HB ASN 43 -16.511 -7.209 5.559 338 2HB ASN 43 2HB ASN 43 -17.976 -6.389 6.059 339 1HD2 ASN 43 1HD2 ASN 43 -19.802 -6.396 4.735 340 2HD2 ASN 43 2HD2 ASN 43 -20.041 -7.561 3.477 341 H LYS 44 H LYS 44 -15.251 -3.678 3.328 342 HA LYS 44 HA LYS 44 -13.350 -5.500 2.418 343 1HB LYS 44 1HB LYS 44 -13.974 -6.158 0.335 344 2HB LYS 44 2HB LYS 44 -15.566 -6.069 1.062 345 1HG LYS 44 1HG LYS 44 -15.996 -4.768 -0.795 346 2HG LYS 44 2HG LYS 44 -15.385 -3.499 0.248 347 1HD LYS 44 1HD LYS 44 -13.923 -3.089 -1.464 348 2HD LYS 44 2HD LYS 44 -13.026 -4.442 -0.805 349 1HE LYS 44 1HE LYS 44 -15.207 -4.768 -2.917 350 2HE LYS 44 2HE LYS 44 -13.514 -4.564 -3.318 351 1HZ LYS 44 1HZ LYS 44 -14.768 -6.778 -1.886 352 2HZ LYS 44 2HZ LYS 44 -13.821 -6.830 -3.215 353 3HZ LYS 44 3HZ LYS 44 -13.162 -6.508 -1.756 354 H TYR 45 H TYR 45 -11.583 -4.395 1.536 355 HA TYR 45 HA TYR 45 -12.023 -1.515 1.129 356 1HB TYR 45 1HB TYR 45 -10.549 -2.977 3.130 357 2HB TYR 45 2HB TYR 45 -9.336 -2.359 2.026 358 HD1 TYR 45 1HD TYR 45 -10.101 0.265 1.274 359 HD2 TYR 45 2HD TYR 45 -10.735 -1.677 5.033 360 HE1 TYR 45 1HE TYR 45 -10.206 2.526 2.433 361 HE2 TYR 45 2HE TYR 45 -10.840 0.591 6.180 362 HH TYR 45 HH TYR 45 -10.766 2.730 5.939 363 H GLN 46 H GLN 46 -10.641 -0.482 -0.428 364 HA GLN 46 HA GLN 46 -9.652 -2.401 -2.360 365 1HB GLN 46 1HB GLN 46 -11.280 -0.686 -3.126 366 2HB GLN 46 2HB GLN 46 -10.192 0.592 -2.619 367 1HG GLN 46 1HG GLN 46 -8.585 0.070 -4.303 368 2HG GLN 46 2HG GLN 46 -9.238 -1.536 -4.562 369 1HE2 GLN 46 1HE2 GLN 46 -9.466 1.827 -5.280 370 2HE2 GLN 46 2HE2 GLN 46 -10.699 1.759 -6.495 371 H VAL 47 H VAL 47 -7.482 -2.558 -2.935 372 HA VAL 47 HA VAL 47 -5.684 -0.602 -1.686 373 HB VAL 47 HB VAL 47 -5.819 -3.536 -1.422 374 1HG1 VAL 47 1HG1 VAL 47 -3.252 -2.121 -2.141 375 2HG1 VAL 47 2HG1 VAL 47 -3.248 -3.557 -1.088 376 3HG1 VAL 47 3HG1 VAL 47 -3.895 -3.669 -2.742 377 1HG2 VAL 47 1HG2 VAL 47 -6.141 -2.134 0.511 378 2HG2 VAL 47 2HG2 VAL 47 -4.593 -2.992 0.695 379 3HG2 VAL 47 3HG2 VAL 47 -4.609 -1.279 0.209 380 H PHE 48 H PHE 48 -4.111 0.227 -3.021 381 HA PHE 48 HA PHE 48 -4.127 -0.845 -5.749 382 1HB PHE 48 1HB PHE 48 -4.474 1.743 -4.607 383 2HB PHE 48 2HB PHE 48 -2.824 1.770 -5.199 384 HD1 PHE 48 1HD PHE 48 -5.163 3.445 -6.198 385 HD2 PHE 48 2HD PHE 48 -3.536 -0.239 -7.537 386 HE1 PHE 48 1HE PHE 48 -6.001 3.916 -8.516 387 HE2 PHE 48 2HE PHE 48 -4.373 0.232 -9.854 388 HZ PHE 48 HZ PHE 48 -5.596 2.304 -10.316 389 H PHE 49 H PHE 49 -2.462 -2.302 -5.946 390 HA PHE 49 HA PHE 49 -0.069 -2.007 -4.442 391 1HB PHE 49 1HB PHE 49 -1.368 -3.817 -6.450 392 2HB PHE 49 2HB PHE 49 0.380 -3.795 -6.568 393 HD1 PHE 49 1HD PHE 49 -2.400 -4.358 -4.171 394 HD2 PHE 49 2HD PHE 49 1.689 -5.043 -5.076 395 HE1 PHE 49 1HE PHE 49 -2.252 -5.985 -2.266 396 HE2 PHE 49 2HE PHE 49 1.838 -6.671 -3.172 397 HZ PHE 49 HZ PHE 49 -0.134 -7.122 -1.789 398 H PHE 50 H PHE 50 1.542 -0.588 -4.890 399 HA PHE 50 HA PHE 50 1.671 0.620 -7.486 400 1HB PHE 50 1HB PHE 50 2.971 0.812 -4.753 401 2HB PHE 50 2HB PHE 50 3.893 1.459 -6.096 402 HD1 PHE 50 1HD PHE 50 2.146 2.601 -3.550 403 HD2 PHE 50 2HD PHE 50 1.884 2.705 -7.784 404 HE1 PHE 50 1HE PHE 50 0.841 4.740 -3.415 405 HE2 PHE 50 2HE PHE 50 0.578 4.844 -7.649 406 HZ PHE 50 HZ PHE 50 0.072 5.836 -5.467 407 H GLY 51 H GLY 51 2.849 -2.276 -6.123 408 1HA GLY 51 1HA GLY 51 5.444 -2.316 -7.341 409 2HA GLY 51 2HA GLY 51 4.585 -3.651 -6.600 410 H THR 52 H THR 52 2.321 -4.083 -7.987 411 HA THR 52 HA THR 52 3.336 -4.844 -10.599 412 HB THR 52 HB THR 52 1.338 -6.287 -10.602 413 HG1 THR 52 1HG THR 52 0.698 -5.098 -8.028 414 1HG2 THR 52 1HG2 THR 52 2.860 -7.419 -9.190 415 2HG2 THR 52 2HG2 THR 52 2.887 -6.095 -8.000 416 3HG2 THR 52 3HG2 THR 52 1.481 -7.182 -8.092 417 H HIS 53 H HIS 53 1.607 -2.229 -9.194 418 HA HIS 53 HA HIS 53 0.752 -0.428 -10.128 419 1HB HIS 53 1HB HIS 53 2.507 -0.960 -11.952 420 2HB HIS 53 2HB HIS 53 1.155 -1.555 -12.897 421 HD1 HIS 53 1HD HIS 53 1.574 1.625 -10.770 422 HD2 HIS 53 2HD HIS 53 0.476 0.422 -14.637 423 HE1 HIS 53 1HE HIS 53 0.929 3.752 -12.025 424 H GLU 54 H GLU 54 -0.819 -2.658 -9.249 425 HA GLU 54 HA GLU 54 -3.162 -2.123 -10.859 426 1HB GLU 54 1HB GLU 54 -3.804 -4.452 -11.012 427 2HB GLU 54 2HB GLU 54 -2.177 -4.304 -11.645 428 1HG GLU 54 1HG GLU 54 -1.616 -5.974 -10.207 429 2HG GLU 54 2HG GLU 54 -1.701 -4.766 -8.940 430 H THR 55 H THR 55 -5.222 -2.736 -9.660 431 HA THR 55 HA THR 55 -4.764 -2.422 -6.769 432 HB THR 55 HB THR 55 -6.067 -0.717 -8.433 433 HG1 THR 55 1HG THR 55 -7.122 -1.626 -5.856 434 1HG2 THR 55 1HG2 THR 55 -8.165 -2.712 -7.429 435 2HG2 THR 55 2HG2 THR 55 -8.533 -1.091 -8.063 436 3HG2 THR 55 3HG2 THR 55 -7.825 -2.326 -9.132 437 H ALA 56 H ALA 56 -5.574 -3.856 -5.318 438 HA ALA 56 HA ALA 56 -7.304 -5.960 -6.409 439 1HB ALA 56 1HB ALA 56 -5.990 -7.641 -5.211 440 2HB ALA 56 2HB ALA 56 -4.940 -6.744 -6.334 441 3HB ALA 56 3HB ALA 56 -4.895 -6.380 -4.592 442 H PHE 57 H PHE 57 -8.461 -7.166 -4.613 443 HA PHE 57 HA PHE 57 -9.452 -5.215 -2.756 444 1HB PHE 57 1HB PHE 57 -11.206 -6.826 -2.527 445 2HB PHE 57 2HB PHE 57 -10.642 -7.147 -4.153 446 HD1 PHE 57 1HD PHE 57 -8.962 -9.042 -4.481 447 HD2 PHE 57 2HD PHE 57 -11.171 -8.513 -0.897 448 HE1 PHE 57 1HE PHE 57 -8.524 -11.434 -3.858 449 HE2 PHE 57 2HE PHE 57 -10.734 -10.905 -0.274 450 HZ PHE 57 HZ PHE 57 -9.416 -12.336 -1.761 451 H LEU 58 H LEU 58 -8.859 -4.965 -0.649 452 HA LEU 58 HA LEU 58 -7.828 -7.231 0.802 453 1HB LEU 58 1HB LEU 58 -6.110 -4.811 0.238 454 2HB LEU 58 2HB LEU 58 -5.776 -5.991 1.490 455 HG LEU 58 HG LEU 58 -5.960 -6.646 -1.462 456 1HD1 LEU 58 1HD1 LEU 58 -3.715 -5.656 0.209 457 2HD1 LEU 58 2HD1 LEU 58 -3.358 -6.995 -0.907 458 3HD1 LEU 58 3HD1 LEU 58 -4.028 -5.470 -1.532 459 1HD2 LEU 58 1HD2 LEU 58 -6.183 -8.340 0.708 460 2HD2 LEU 58 2HD2 LEU 58 -5.716 -8.801 -0.946 461 3HD2 LEU 58 3HD2 LEU 58 -4.461 -8.460 0.270 462 H GLY 59 H GLY 59 -7.128 -6.247 3.147 463 1HA GLY 59 1HA GLY 59 -9.203 -4.263 3.857 464 2HA GLY 59 2HA GLY 59 -8.968 -5.739 4.770 465 HA PRO 60 HA PRO 60 -6.276 -2.737 6.762 466 1HB PRO 60 1HB PRO 60 -6.935 -3.364 9.339 467 2HB PRO 60 2HB PRO 60 -7.735 -2.100 8.426 468 1HG PRO 60 1HG PRO 60 -8.723 -4.800 9.115 469 2HG PRO 60 2HG PRO 60 -9.634 -3.398 8.591 470 1HD PRO 60 1HD PRO 60 -8.937 -5.682 7.003 471 2HD PRO 60 2HD PRO 60 -9.746 -4.230 6.450 472 H LYS 61 H LYS 61 -6.806 -6.083 7.681 473 HA LYS 61 HA LYS 61 -4.361 -6.440 8.945 474 1HB LYS 61 1HB LYS 61 -6.132 -8.028 9.220 475 2HB LYS 61 2HB LYS 61 -6.209 -8.353 7.502 476 1HG LYS 61 1HG LYS 61 -4.835 -10.116 7.994 477 2HG LYS 61 2HG LYS 61 -3.561 -8.913 7.975 478 1HD LYS 61 1HD LYS 61 -3.681 -8.628 10.394 479 2HD LYS 61 2HD LYS 61 -5.143 -9.590 10.495 480 1HE LYS 61 1HE LYS 61 -3.856 -11.588 9.650 481 2HE LYS 61 2HE LYS 61 -2.397 -10.617 9.626 482 1HZ LYS 61 1HZ LYS 61 -2.634 -11.889 11.657 483 2HZ LYS 61 2HZ LYS 61 -2.618 -10.287 11.977 484 3HZ LYS 61 3HZ LYS 61 -4.026 -11.116 12.022 485 H ASP 62 H ASP 62 -5.321 -6.884 5.482 486 HA ASP 62 HA ASP 62 -2.943 -7.867 4.594 487 1HB ASP 62 1HB ASP 62 -5.074 -6.114 3.329 488 2HB ASP 62 2HB ASP 62 -3.646 -6.545 2.408 489 H LEU 63 H LEU 63 -3.948 -4.565 5.486 490 HA LEU 63 HA LEU 63 -1.529 -3.420 4.352 491 1HB LEU 63 1HB LEU 63 -4.183 -2.504 4.977 492 2HB LEU 63 2HB LEU 63 -3.004 -1.502 5.800 493 HG LEU 63 HG LEU 63 -2.116 -0.666 3.846 494 1HD1 LEU 63 1HD1 LEU 63 -2.689 -1.880 1.578 495 2HD1 LEU 63 2HD1 LEU 63 -1.346 -2.431 2.607 496 3HD1 LEU 63 3HD1 LEU 63 -2.905 -3.290 2.644 497 1HD2 LEU 63 1HD2 LEU 63 -4.714 -0.328 4.161 498 2HD2 LEU 63 2HD2 LEU 63 -3.867 0.291 2.722 499 3HD2 LEU 63 3HD2 LEU 63 -4.790 -1.229 2.627 500 H PHE 64 H PHE 64 0.321 -3.379 5.499 501 HA PHE 64 HA PHE 64 0.046 -3.274 8.420 502 1HB PHE 64 1HB PHE 64 1.362 -5.141 6.568 503 2HB PHE 64 2HB PHE 64 2.576 -4.387 7.581 504 HD1 PHE 64 1HD PHE 64 2.836 -5.017 9.846 505 HD2 PHE 64 2HD PHE 64 -0.533 -6.388 7.660 506 HE1 PHE 64 1HE PHE 64 2.282 -6.618 11.701 507 HE2 PHE 64 2HE PHE 64 -1.086 -7.986 9.513 508 HZ PHE 64 HZ PHE 64 0.328 -8.083 11.512 509 HA PRO 65 HA PRO 65 2.557 0.251 8.019 510 1HB PRO 65 1HB PRO 65 3.112 0.693 10.658 511 2HB PRO 65 2HB PRO 65 1.624 1.210 9.891 512 1HG PRO 65 1HG PRO 65 2.067 -1.056 11.737 513 2HG PRO 65 2HG PRO 65 0.560 -0.271 11.304 514 1HD PRO 65 1HD PRO 65 1.515 -2.800 10.346 515 2HD PRO 65 2HD PRO 65 0.067 -1.961 9.827 516 H TYR 66 H TYR 66 4.747 1.188 8.625 517 HA TYR 66 HA TYR 66 6.628 -0.855 8.013 518 1HB TYR 66 1HB TYR 66 7.054 1.367 7.180 519 2HB TYR 66 2HB TYR 66 6.516 2.120 8.668 520 HD1 TYR 66 1HD TYR 66 9.336 0.412 7.005 521 HD2 TYR 66 2HD TYR 66 8.037 2.481 10.518 522 HE1 TYR 66 1HE TYR 66 11.751 0.657 7.763 523 HE2 TYR 66 2HE TYR 66 10.457 2.719 11.263 524 HH TYR 66 HH TYR 66 12.926 0.929 9.965 525 H GLU 67 H GLU 67 5.619 0.913 10.968 526 HA GLU 67 HA GLU 67 7.762 0.282 12.548 527 1HB GLU 67 1HB GLU 67 5.006 1.214 12.909 528 2HB GLU 67 2HB GLU 67 5.505 0.189 14.240 529 1HG GLU 67 1HG GLU 67 7.757 1.710 14.006 530 2HG GLU 67 2HG GLU 67 6.585 2.856 13.383 531 H GLU 68 H GLU 68 4.704 -1.570 11.959 532 HA GLU 68 HA GLU 68 5.498 -3.661 13.677 533 1HB GLU 68 1HB GLU 68 3.229 -3.098 11.812 534 2HB GLU 68 2HB GLU 68 3.552 -4.791 12.131 535 1HG GLU 68 1HG GLU 68 2.860 -4.653 14.318 536 2HG GLU 68 2HG GLU 68 3.609 -3.088 14.566 537 H SER 69 H SER 69 5.415 -3.188 10.087 538 HA SER 69 HA SER 69 6.198 -5.672 9.340 539 1HB SER 69 1HB SER 69 5.573 -3.553 7.939 540 2HB SER 69 2HB SER 69 7.285 -3.182 7.988 541 HG SER 69 HG SER 69 6.804 -4.393 6.091 542 H LYS 70 H LYS 70 8.287 -2.814 10.156 543 HA LYS 70 HA LYS 70 10.708 -4.199 9.781 544 1HB LYS 70 1HB LYS 70 11.665 -2.204 10.223 545 2HB LYS 70 2HB LYS 70 10.032 -1.604 10.013 546 1HG LYS 70 1HG LYS 70 9.748 -2.073 12.579 547 2HG LYS 70 2HG LYS 70 11.498 -2.175 12.614 548 1HD LYS 70 1HD LYS 70 11.425 0.135 11.342 549 2HD LYS 70 2HD LYS 70 9.766 0.214 11.898 550 1HE LYS 70 1HE LYS 70 11.625 -0.572 14.053 551 2HE LYS 70 2HE LYS 70 12.040 0.982 13.358 552 1HZ LYS 70 1HZ LYS 70 9.338 0.271 14.264 553 2HZ LYS 70 2HZ LYS 70 10.417 1.103 15.166 554 3HZ LYS 70 3HZ LYS 70 9.845 1.745 13.776 555 H GLU 71 H GLU 71 8.344 -4.046 12.395 556 HA GLU 71 HA GLU 71 9.959 -4.689 14.512 557 1HB GLU 71 1HB GLU 71 7.396 -4.119 14.361 558 2HB GLU 71 2HB GLU 71 7.176 -5.850 14.204 559 1HG GLU 71 1HG GLU 71 7.738 -6.260 16.397 560 2HG GLU 71 2HG GLU 71 9.021 -5.064 16.402 561 H LYS 72 H LYS 72 8.447 -6.783 12.002 562 HA LYS 72 HA LYS 72 9.808 -9.079 13.209 563 1HB LYS 72 1HB LYS 72 7.461 -9.454 12.954 564 2HB LYS 72 2HB LYS 72 7.465 -8.854 11.306 565 1HG LYS 72 1HG LYS 72 7.434 -11.266 11.170 566 2HG LYS 72 2HG LYS 72 9.038 -10.753 10.683 567 1HD LYS 72 1HD LYS 72 8.740 -11.241 13.608 568 2HD LYS 72 2HD LYS 72 8.517 -12.666 12.612 569 1HE LYS 72 1HE LYS 72 10.768 -11.448 11.466 570 2HE LYS 72 2HE LYS 72 10.987 -11.143 13.177 571 1HZ LYS 72 1HZ LYS 72 11.260 -13.557 11.788 572 2HZ LYS 72 2HZ LYS 72 11.648 -13.221 13.339 573 3HZ LYS 72 3HZ LYS 72 10.145 -13.741 12.968 574 H PHE 73 H PHE 73 9.086 -7.658 9.938 575 HA PHE 73 HA PHE 73 11.801 -8.473 9.186 576 1HB PHE 73 1HB PHE 73 9.946 -8.332 6.940 577 2HB PHE 73 2HB PHE 73 10.838 -9.732 7.499 578 HD1 PHE 73 1HD PHE 73 9.627 -11.569 8.180 579 HD2 PHE 73 2HD PHE 73 7.826 -7.737 8.457 580 HE1 PHE 73 1HE PHE 73 7.483 -12.631 8.939 581 HE2 PHE 73 2HE PHE 73 5.683 -8.799 9.216 582 HZ PHE 73 HZ PHE 73 5.537 -11.233 9.448 583 H GLY 74 H GLY 74 9.106 -6.715 7.518 584 1HA GLY 74 1HA GLY 74 8.939 -4.504 6.982 585 2HA GLY 74 2HA GLY 74 10.455 -4.174 7.797 586 H LYS 75 H LYS 75 11.159 -6.838 5.938 587 HA LYS 75 HA LYS 75 11.672 -5.268 3.521 588 1HB LYS 75 1HB LYS 75 13.962 -6.280 3.434 589 2HB LYS 75 2HB LYS 75 13.730 -5.091 4.700 590 1HG LYS 75 1HG LYS 75 14.553 -6.665 6.124 591 2HG LYS 75 2HG LYS 75 12.990 -7.443 5.988 592 1HD LYS 75 1HD LYS 75 13.793 -9.139 4.655 593 2HD LYS 75 2HD LYS 75 14.849 -8.070 3.750 594 1HE LYS 75 1HE LYS 75 16.543 -9.073 4.911 595 2HE LYS 75 2HE LYS 75 16.069 -8.020 6.229 596 1HZ LYS 75 1HZ LYS 75 16.171 -10.505 6.640 597 2HZ LYS 75 2HZ LYS 75 14.871 -9.700 7.216 598 3HZ LYS 75 3HZ LYS 75 14.742 -10.593 5.854 599 HA PRO 76 HA PRO 76 9.795 -9.085 2.289 600 1HB PRO 76 1HB PRO 76 8.569 -8.108 0.051 601 2HB PRO 76 2HB PRO 76 7.812 -8.119 1.631 602 1HG PRO 76 1HG PRO 76 8.975 -5.841 0.148 603 2HG PRO 76 2HG PRO 76 7.857 -5.817 1.498 604 1HD PRO 76 1HD PRO 76 10.671 -5.269 1.589 605 2HD PRO 76 2HD PRO 76 9.577 -5.359 2.954 606 H ASN 77 H ASN 77 9.729 -10.337 0.105 607 HA ASN 77 HA ASN 77 12.273 -10.904 -0.521 608 1HB ASN 77 1HB ASN 77 9.669 -11.125 -2.060 609 2HB ASN 77 2HB ASN 77 11.158 -11.556 -2.880 610 1HD2 ASN 77 1HD2 ASN 77 10.704 -11.872 0.579 611 2HD2 ASN 77 2HD2 ASN 77 10.682 -13.602 0.667 612 H LYS 78 H LYS 78 13.894 -9.691 -1.509 613 HA LYS 78 HA LYS 78 13.250 -7.220 -2.764 614 1HB LYS 78 1HB LYS 78 15.743 -8.730 -2.081 615 2HB LYS 78 2HB LYS 78 15.847 -7.454 -3.276 616 1HG LYS 78 1HG LYS 78 16.261 -6.348 -1.209 617 2HG LYS 78 2HG LYS 78 14.594 -5.953 -1.579 618 1HD LYS 78 1HD LYS 78 14.188 -6.685 0.554 619 2HD LYS 78 2HD LYS 78 14.222 -8.278 -0.175 620 1HE LYS 78 1HE LYS 78 16.951 -7.597 0.310 621 2HE LYS 78 2HE LYS 78 16.077 -7.103 1.747 622 1HZ LYS 78 1HZ LYS 78 16.227 -9.766 0.559 623 2HZ LYS 78 2HZ LYS 78 16.554 -9.314 2.093 624 3HZ LYS 78 3HZ LYS 78 15.008 -9.380 1.574 625 H ARG 79 H ARG 79 11.737 -8.108 -4.408 626 HA ARG 79 HA ARG 79 13.097 -9.546 -6.510 627 1HB ARG 79 1HB ARG 79 10.177 -8.913 -5.917 628 2HB ARG 79 2HB ARG 79 10.655 -9.514 -7.491 629 1HG ARG 79 1HG ARG 79 11.613 -10.984 -5.029 630 2HG ARG 79 2HG ARG 79 9.951 -11.197 -5.539 631 1HD ARG 79 1HD ARG 79 11.984 -11.407 -7.724 632 2HD ARG 79 2HD ARG 79 12.057 -12.673 -6.515 633 HE ARG 79 HE ARG 79 9.365 -12.563 -7.069 634 1HH1 ARG 79 2HH2 ARG 79 12.212 -12.807 -9.122 635 2HH1 ARG 79 1HH2 ARG 79 11.393 -13.687 -10.371 636 1HH2 ARG 79 2HH1 ARG 79 8.285 -13.723 -8.716 637 2HH2 ARG 79 1HH1 ARG 79 9.145 -14.211 -10.138 638 H LYS 80 H LYS 80 11.846 -8.735 -8.825 639 HA LYS 80 HA LYS 80 13.095 -6.274 -9.355 640 1HB LYS 80 1HB LYS 80 11.361 -8.193 -10.860 641 2HB LYS 80 2HB LYS 80 11.575 -6.583 -11.516 642 1HG LYS 80 1HG LYS 80 14.138 -6.982 -11.093 643 2HG LYS 80 2HG LYS 80 13.705 -8.674 -10.943 644 1HD LYS 80 1HD LYS 80 14.273 -8.391 -13.247 645 2HD LYS 80 2HD LYS 80 12.522 -8.452 -13.220 646 1HE LYS 80 1HE LYS 80 12.651 -6.516 -14.438 647 2HE LYS 80 2HE LYS 80 12.918 -5.751 -12.884 648 1HZ LYS 80 1HZ LYS 80 14.716 -6.069 -15.019 649 2HZ LYS 80 2HZ LYS 80 14.860 -5.139 -13.685 650 3HZ LYS 80 3HZ LYS 80 15.356 -6.694 -13.652 651 H GLY 81 H GLY 81 9.568 -7.021 -9.766 652 1HA GLY 81 1HA GLY 81 8.680 -4.418 -9.794 653 2HA GLY 81 2HA GLY 81 7.737 -5.805 -9.285 654 H PHE 82 H PHE 82 10.006 -6.241 -7.115 655 HA PHE 82 HA PHE 82 8.588 -4.875 -5.068 656 1HB PHE 82 1HB PHE 82 9.536 -6.998 -4.491 657 2HB PHE 82 2HB PHE 82 10.997 -6.697 -5.410 658 HD1 PHE 82 1HD PHE 82 9.669 -6.913 -2.188 659 HD2 PHE 82 2HD PHE 82 12.480 -4.698 -4.470 660 HE1 PHE 82 1HE PHE 82 10.864 -6.258 -0.081 661 HE2 PHE 82 2HE PHE 82 13.675 -4.043 -2.362 662 HZ PHE 82 HZ PHE 82 12.853 -4.831 -0.193 663 H SER 83 H SER 83 11.654 -4.381 -6.850 664 HA SER 83 HA SER 83 12.558 -2.394 -5.049 665 1HB SER 83 1HB SER 83 13.935 -3.905 -6.672 666 2HB SER 83 2HB SER 83 13.501 -2.747 -7.915 667 HG SER 83 HG SER 83 14.825 -2.071 -5.427 668 H GLU 84 H GLU 84 11.362 -2.345 -8.493 669 HA GLU 84 HA GLU 84 11.243 0.437 -8.590 670 1HB GLU 84 1HB GLU 84 10.437 0.141 -10.755 671 2HB GLU 84 2HB GLU 84 11.223 -1.403 -10.489 672 1HG GLU 84 1HG GLU 84 8.997 -2.354 -9.736 673 2HG GLU 84 2HG GLU 84 8.244 -0.824 -10.143 674 H GLY 85 H GLY 85 9.366 -1.792 -6.843 675 1HA GLY 85 1HA GLY 85 6.824 -0.436 -7.086 676 2HA GLY 85 2HA GLY 85 7.233 -1.776 -6.034 677 H LEU 86 H LEU 86 9.036 -1.129 -4.276 678 HA LEU 86 HA LEU 86 7.832 0.737 -2.605 679 1HB LEU 86 1HB LEU 86 9.322 0.046 -1.079 680 2HB LEU 86 2HB LEU 86 9.523 -1.258 -2.232 681 HG LEU 86 HG LEU 86 11.679 -0.535 -1.432 682 1HD1 LEU 86 1HD1 LEU 86 12.756 -0.599 -3.432 683 2HD1 LEU 86 2HD1 LEU 86 11.119 -1.013 -3.995 684 3HD1 LEU 86 3HD1 LEU 86 11.724 0.652 -4.163 685 1HD2 LEU 86 1HD2 LEU 86 12.383 1.589 -1.170 686 2HD2 LEU 86 2HD2 LEU 86 11.589 2.157 -2.659 687 3HD2 LEU 86 3HD2 LEU 86 10.638 1.944 -1.169 688 H TRP 87 H TRP 87 10.044 1.106 -5.291 689 HA TRP 87 HA TRP 87 10.917 3.721 -4.404 690 1HB TRP 87 1HB TRP 87 12.042 1.751 -5.969 691 2HB TRP 87 2HB TRP 87 11.506 2.920 -7.160 692 HD1 TRP 87 HD TRP 87 12.931 5.169 -7.345 693 HE1 TRP 87 1HE TRP 87 15.125 6.144 -6.251 694 HE3 TRP 87 3HE TRP 87 13.260 1.692 -3.650 695 HZ2 TRP 87 2HZ TRP 87 16.716 5.369 -4.013 696 HZ3 TRP 87 3HZ TRP 87 15.165 1.872 -2.053 697 HH2 TRP 87 HH TRP 87 16.857 3.632 -2.190 698 H GLU 88 H GLU 88 8.472 2.136 -6.421 699 HA GLU 88 HA GLU 88 7.878 4.356 -8.009 700 1HB GLU 88 1HB GLU 88 6.757 1.677 -7.481 701 2HB GLU 88 2HB GLU 88 5.521 2.863 -7.847 702 1HG GLU 88 1HG GLU 88 7.923 2.992 -9.610 703 2HG GLU 88 2HG GLU 88 6.998 1.510 -9.745 704 H ILE 89 H ILE 89 7.172 3.510 -4.684 705 HA ILE 89 HA ILE 89 5.030 5.497 -4.582 706 HB ILE 89 HB ILE 89 4.252 3.605 -3.562 707 1HG1 ILE 89 1HG1 ILE 89 4.214 5.637 -2.054 708 2HG1 ILE 89 2HG1 ILE 89 3.996 4.086 -1.269 709 1HG2 ILE 89 1HG2 ILE 89 7.101 3.124 -2.781 710 2HG2 ILE 89 2HG2 ILE 89 5.801 2.366 -1.829 711 3HG2 ILE 89 3HG2 ILE 89 5.931 2.043 -3.575 712 1HD1 ILE 89 1HD1 ILE 89 6.803 4.500 -1.305 713 2HD1 ILE 89 2HD1 ILE 89 6.089 6.068 -0.856 714 3HD1 ILE 89 3HD1 ILE 89 5.719 4.613 0.102 715 H GLU 90 H GLU 90 8.248 4.634 -3.201 716 HA GLU 90 HA GLU 90 8.324 6.912 -1.558 717 1HB GLU 90 1HB GLU 90 10.296 4.814 -2.447 718 2HB GLU 90 2HB GLU 90 10.918 6.266 -1.690 719 1HG GLU 90 1HG GLU 90 9.110 5.819 0.163 720 2HG GLU 90 2HG GLU 90 9.017 4.207 -0.518 721 H ASN 91 H ASN 91 9.236 6.189 -4.921 722 HA ASN 91 HA ASN 91 9.950 8.997 -5.176 723 1HB ASN 91 1HB ASN 91 11.295 6.795 -6.807 724 2HB ASN 91 2HB ASN 91 11.802 8.465 -6.644 725 1HD2 ASN 91 1HD2 ASN 91 11.035 5.650 -4.597 726 2HD2 ASN 91 2HD2 ASN 91 12.362 5.810 -3.496 727 H ASN 92 H ASN 92 7.482 8.793 -5.770 728 HA ASN 92 HA ASN 92 6.764 7.362 -8.048 729 1HB ASN 92 1HB ASN 92 4.767 9.063 -8.002 730 2HB ASN 92 2HB ASN 92 4.966 8.003 -6.622 731 1HD2 ASN 92 1HD2 ASN 92 4.136 9.232 -5.053 732 2HD2 ASN 92 2HD2 ASN 92 4.758 10.760 -4.531 733 HA PRO 93 HA PRO 93 8.345 10.238 -10.992 734 1HB PRO 93 1HB PRO 93 7.365 9.089 -13.269 735 2HB PRO 93 2HB PRO 93 8.840 8.558 -12.487 736 1HG PRO 93 1HG PRO 93 6.181 7.268 -12.497 737 2HG PRO 93 2HG PRO 93 7.738 6.569 -12.101 738 1HD PRO 93 1HD PRO 93 5.693 7.368 -10.253 739 2HD PRO 93 2HD PRO 93 7.295 6.778 -9.854 740 H THR 94 H THR 94 4.967 9.309 -11.181 741 HA THR 94 HA THR 94 4.388 12.141 -11.710 742 HB THR 94 HB THR 94 3.451 9.662 -13.220 743 HG1 THR 94 1HG THR 94 4.527 12.340 -13.751 744 1HG2 THR 94 1HG2 THR 94 2.157 12.411 -12.973 745 2HG2 THR 94 2HG2 THR 94 2.025 11.465 -14.475 746 3HG2 THR 94 3HG2 THR 94 1.365 10.818 -12.953 747 H VAL 95 H VAL 95 4.133 12.139 -9.336 748 HA VAL 95 HA VAL 95 2.260 10.522 -8.061 749 HB VAL 95 HB VAL 95 3.998 11.841 -6.953 750 1HG1 VAL 95 1HG1 VAL 95 2.345 14.336 -7.238 751 2HG1 VAL 95 2HG1 VAL 95 4.074 14.153 -6.860 752 3HG1 VAL 95 3HG1 VAL 95 3.493 13.886 -8.521 753 1HG2 VAL 95 1HG2 VAL 95 2.156 11.077 -5.595 754 2HG2 VAL 95 2HG2 VAL 95 2.591 12.725 -5.081 755 3HG2 VAL 95 3HG2 VAL 95 1.152 12.459 -6.094 756 H LYS 96 H LYS 96 0.089 10.392 -8.260 757 HA LYS 96 HA LYS 96 -1.247 12.562 -9.670 758 1HB LYS 96 1HB LYS 96 -3.087 10.944 -9.923 759 2HB LYS 96 2HB LYS 96 -1.574 10.343 -10.573 760 1HG LYS 96 1HG LYS 96 -1.461 8.632 -9.058 761 2HG LYS 96 2HG LYS 96 -1.929 9.660 -7.718 762 1HD LYS 96 1HD LYS 96 -3.839 8.367 -7.800 763 2HD LYS 96 2HD LYS 96 -4.320 9.574 -8.975 764 1HE LYS 96 1HE LYS 96 -4.415 8.007 -10.613 765 2HE LYS 96 2HE LYS 96 -2.741 7.569 -10.341 766 1HZ LYS 96 1HZ LYS 96 -3.667 5.662 -9.698 767 2HZ LYS 96 2HZ LYS 96 -3.912 6.416 -8.270 768 3HZ LYS 96 3HZ LYS 96 -5.125 6.316 -9.357 769 H ALA 97 H ALA 97 -1.032 10.931 -6.512 770 HA ALA 97 HA ALA 97 -3.219 12.595 -5.522 771 1HB ALA 97 1HB ALA 97 -3.583 10.443 -4.752 772 2HB ALA 97 2HB ALA 97 -1.846 10.066 -4.660 773 3HB ALA 97 3HB ALA 97 -2.601 11.088 -3.414 774 H SER 98 H SER 98 -2.151 14.649 -5.562 775 HA SER 98 HA SER 98 -0.234 14.871 -3.396 776 1HB SER 98 1HB SER 98 1.246 16.294 -4.666 777 2HB SER 98 2HB SER 98 0.991 14.839 -5.607 778 HG SER 98 HG SER 98 -0.422 15.943 -6.993 779 H GLY 99 H GLY 99 -0.110 17.150 -2.529 780 1HA GLY 99 1HA GLY 99 -2.253 18.941 -3.368 781 2HA GLY 99 2HA GLY 99 -2.386 18.264 -1.757 782 H TYR 100 H TYR 100 -1.595 19.569 -0.174 783 HA TYR 100 HA TYR 100 -0.375 21.910 -0.413 784 1HB TYR 100 1HB TYR 100 -0.517 21.501 1.869 785 2HB TYR 100 2HB TYR 100 -0.735 19.793 1.542 786 HD1 TYR 100 1HD TYR 100 0.702 18.407 2.707 787 HD2 TYR 100 2HD TYR 100 2.132 22.228 1.418 788 HE1 TYR 100 1HE TYR 100 2.965 17.923 3.759 789 HE2 TYR 100 2HE TYR 100 4.391 21.730 2.473 790 HH TYR 100 HH TYR 100 5.165 18.567 3.665 Start of MODEL 9 1 H MET 1 H MET 1 1.423 27.767 10.495 2 HA MET 1 HA MET 1 1.354 25.694 12.533 3 1HB MET 1 1HB MET 1 -0.777 27.456 11.982 4 2HB MET 1 2HB MET 1 -1.180 26.050 11.019 5 1HG MET 1 1HG MET 1 -1.311 24.621 12.912 6 2HG MET 1 2HG MET 1 -0.321 25.675 13.903 7 1HE MET 1 1HE MET 1 -4.377 24.915 13.875 8 2HE MET 1 2HE MET 1 -4.502 25.980 12.454 9 3HE MET 1 3HE MET 1 -3.344 24.628 12.455 10 H SER 2 H SER 2 0.859 23.528 11.695 11 HA SER 2 HA SER 2 0.888 23.355 8.805 12 1HB SER 2 1HB SER 2 2.731 21.816 8.734 13 2HB SER 2 2HB SER 2 3.266 23.189 9.684 14 HG SER 2 HG SER 2 3.282 20.623 10.417 15 H ARG 3 H ARG 3 0.076 21.254 8.008 16 HA ARG 3 HA ARG 3 -1.630 20.050 10.009 17 1HB ARG 3 1HB ARG 3 -2.880 19.123 8.053 18 2HB ARG 3 2HB ARG 3 -2.736 20.867 7.952 19 1HG ARG 3 1HG ARG 3 -0.409 19.896 6.668 20 2HG ARG 3 2HG ARG 3 -1.679 18.810 6.142 21 1HD ARG 3 1HD ARG 3 -2.133 20.432 4.588 22 2HD ARG 3 2HD ARG 3 -2.971 21.233 5.903 23 HE ARG 3 HE ARG 3 -0.177 21.904 6.016 24 1HH1 ARG 3 2HH2 ARG 3 -3.064 22.549 4.111 25 2HH1 ARG 3 1HH2 ARG 3 -2.523 24.107 3.582 26 1HH2 ARG 3 2HH1 ARG 3 0.537 23.960 5.319 27 2HH2 ARG 3 1HH1 ARG 3 -0.460 24.915 4.274 28 H SER 4 H SER 4 -1.434 17.866 10.604 29 HA SER 4 HA SER 4 0.723 16.441 9.253 30 1HB SER 4 1HB SER 4 1.113 15.255 11.372 31 2HB SER 4 2HB SER 4 1.219 16.986 11.618 32 HG SER 4 HG SER 4 -1.295 15.665 12.025 33 H ASN 5 H ASN 5 0.427 13.903 9.569 34 HA ASN 5 HA ASN 5 -2.179 13.351 8.534 35 1HB ASN 5 1HB ASN 5 -1.195 10.985 8.313 36 2HB ASN 5 2HB ASN 5 -0.339 12.232 7.427 37 1HD2 ASN 5 1HD2 ASN 5 -0.385 10.316 10.378 38 2HD2 ASN 5 2HD2 ASN 5 1.307 10.389 10.738 39 H ARG 6 H ARG 6 -3.149 11.073 9.404 40 HA ARG 6 HA ARG 6 -3.863 11.513 12.033 41 1HB ARG 6 1HB ARG 6 -5.023 9.335 11.866 42 2HB ARG 6 2HB ARG 6 -5.238 10.236 10.378 43 1HG ARG 6 1HG ARG 6 -2.820 8.494 10.420 44 2HG ARG 6 2HG ARG 6 -4.338 7.625 10.518 45 1HD ARG 6 1HD ARG 6 -4.844 8.059 8.334 46 2HD ARG 6 2HD ARG 6 -4.466 9.762 8.500 47 HE ARG 6 HE ARG 6 -2.465 9.288 7.413 48 1HH1 ARG 6 2HH2 ARG 6 -3.383 6.467 9.306 49 2HH1 ARG 6 1HH2 ARG 6 -1.992 5.545 8.841 50 1HH2 ARG 6 2HH1 ARG 6 -0.631 8.073 6.801 51 2HH2 ARG 6 1HH1 ARG 6 -0.416 6.464 7.406 52 H GLN 7 H GLN 7 -3.764 9.210 13.522 53 HA GLN 7 HA GLN 7 -0.890 8.793 13.787 54 1HB GLN 7 1HB GLN 7 -1.586 8.129 16.206 55 2HB GLN 7 2HB GLN 7 -1.595 9.828 15.781 56 1HG GLN 7 1HG GLN 7 -4.103 8.141 15.460 57 2HG GLN 7 2HG GLN 7 -3.683 8.826 17.017 58 1HE2 GLN 7 1HE2 GLN 7 -5.572 9.283 14.479 59 2HE2 GLN 7 2HE2 GLN 7 -5.689 11.010 14.397 60 H LYS 8 H LYS 8 -4.138 7.246 13.801 61 HA LYS 8 HA LYS 8 -2.821 4.736 13.123 62 1HB LYS 8 1HB LYS 8 -4.422 3.549 14.694 63 2HB LYS 8 2HB LYS 8 -3.080 4.395 15.436 64 1HG LYS 8 1HG LYS 8 -5.452 6.125 15.080 65 2HG LYS 8 2HG LYS 8 -5.786 4.724 16.079 66 1HD LYS 8 1HD LYS 8 -3.213 6.128 16.672 67 2HD LYS 8 2HD LYS 8 -4.663 7.049 17.020 68 1HE LYS 8 1HE LYS 8 -5.412 5.534 18.654 69 2HE LYS 8 2HE LYS 8 -4.563 4.176 17.942 70 1HZ LYS 8 1HZ LYS 8 -3.191 4.631 19.643 71 2HZ LYS 8 2HZ LYS 8 -2.524 5.674 18.579 72 3HZ LYS 8 3HZ LYS 8 -3.562 6.220 19.715 73 H GLU 9 H GLU 9 -5.777 6.763 13.370 74 HA GLU 9 HA GLU 9 -7.408 5.112 11.876 75 1HB GLU 9 1HB GLU 9 -8.728 7.237 11.459 76 2HB GLU 9 2HB GLU 9 -8.372 6.916 13.144 77 1HG GLU 9 1HG GLU 9 -6.357 8.450 12.957 78 2HG GLU 9 2HG GLU 9 -6.852 8.839 11.321 79 H TYR 10 H TYR 10 -6.018 4.287 10.145 80 HA TYR 10 HA TYR 10 -4.949 6.113 8.226 81 1HB TYR 10 1HB TYR 10 -4.067 4.069 7.353 82 2HB TYR 10 2HB TYR 10 -4.327 3.625 9.028 83 HD1 TYR 10 1HD TYR 10 -4.545 2.294 5.946 84 HD2 TYR 10 2HD TYR 10 -7.108 3.011 9.296 85 HE1 TYR 10 1HE TYR 10 -6.053 0.382 5.211 86 HE2 TYR 10 2HE TYR 10 -8.607 1.097 8.551 87 HH TYR 10 HH TYR 10 -7.673 -0.988 5.883 88 H LYS 11 H LYS 11 -5.733 6.676 6.197 89 HA LYS 11 HA LYS 11 -8.131 5.385 5.236 90 1HB LYS 11 1HB LYS 11 -9.528 7.288 5.209 91 2HB LYS 11 2HB LYS 11 -8.890 7.188 6.838 92 1HG LYS 11 1HG LYS 11 -8.287 9.368 6.559 93 2HG LYS 11 2HG LYS 11 -6.962 8.745 5.595 94 1HD LYS 11 1HD LYS 11 -8.279 10.530 4.410 95 2HD LYS 11 2HD LYS 11 -8.239 9.015 3.528 96 1HE LYS 11 1HE LYS 11 -10.498 8.717 3.709 97 2HE LYS 11 2HE LYS 11 -10.508 9.135 5.410 98 1HZ LYS 11 1HZ LYS 11 -11.496 10.676 3.507 99 2HZ LYS 11 2HZ LYS 11 -10.976 11.249 4.945 100 3HZ LYS 11 3HZ LYS 11 -10.006 11.329 3.634 101 H CYS 12 H CYS 12 -8.778 6.761 3.070 102 HA CYS 12 HA CYS 12 -6.933 6.228 1.225 103 1HB CYS 12 1HB CYS 12 -9.382 7.241 1.074 104 2HB CYS 12 2HB CYS 12 -8.516 8.746 0.834 105 HG CYS 12 HG CYS 12 -9.154 6.399 -1.122 106 H GLY 13 H GLY 13 -4.949 7.057 0.574 107 1HA GLY 13 1HA GLY 13 -3.569 8.962 0.143 108 2HA GLY 13 2HA GLY 13 -4.198 9.726 1.590 109 H ASP 14 H ASP 14 -4.052 6.751 2.782 110 HA ASP 14 HA ASP 14 -1.429 7.205 3.852 111 1HB ASP 14 1HB ASP 14 -2.915 6.602 5.559 112 2HB ASP 14 2HB ASP 14 -3.812 5.500 4.534 113 H LEU 15 H LEU 15 0.306 5.612 3.692 114 HA LEU 15 HA LEU 15 -0.176 3.549 1.656 115 1HB LEU 15 1HB LEU 15 1.183 5.149 0.630 116 2HB LEU 15 2HB LEU 15 2.136 5.417 2.076 117 HG LEU 15 HG LEU 15 3.211 4.136 0.138 118 1HD1 LEU 15 1HD1 LEU 15 3.599 2.363 2.427 119 2HD1 LEU 15 2HD1 LEU 15 4.736 3.471 1.622 120 3HD1 LEU 15 3HD1 LEU 15 3.625 4.087 2.868 121 1HD2 LEU 15 1HD2 LEU 15 2.426 2.172 -0.552 122 2HD2 LEU 15 2HD2 LEU 15 2.272 1.560 1.112 123 3HD2 LEU 15 3HD2 LEU 15 0.961 2.526 0.393 124 H VAL 16 H VAL 16 0.584 1.467 2.072 125 HA VAL 16 HA VAL 16 2.244 1.016 4.374 126 HB VAL 16 HB VAL 16 -0.475 1.146 4.806 127 1HG1 VAL 16 1HG1 VAL 16 -0.544 -1.056 3.446 128 2HG1 VAL 16 2HG1 VAL 16 0.182 -1.798 4.892 129 3HG1 VAL 16 3HG1 VAL 16 -1.402 -0.995 5.005 130 1HG2 VAL 16 1HG2 VAL 16 0.414 -0.502 6.828 131 2HG2 VAL 16 2HG2 VAL 16 1.924 0.226 6.232 132 3HG2 VAL 16 3HG2 VAL 16 0.589 1.269 6.781 133 H PHE 17 H PHE 17 2.270 -1.613 4.655 134 HA PHE 17 HA PHE 17 2.935 -2.521 1.983 135 1HB PHE 17 1HB PHE 17 3.329 -3.546 4.855 136 2HB PHE 17 2HB PHE 17 3.870 -4.463 3.462 137 HD1 PHE 17 1HD PHE 17 4.974 -2.371 5.939 138 HD2 PHE 17 2HD PHE 17 5.276 -2.854 1.733 139 HE1 PHE 17 1HE PHE 17 7.142 -1.105 5.949 140 HE2 PHE 17 2HE PHE 17 7.444 -1.589 1.744 141 HZ PHE 17 HZ PHE 17 8.350 -0.729 3.852 142 H ALA 18 H ALA 18 1.447 -3.619 0.800 143 HA ALA 18 HA ALA 18 -0.572 -5.141 2.291 144 1HB ALA 18 1HB ALA 18 -0.783 -4.420 -0.629 145 2HB ALA 18 2HB ALA 18 -2.073 -4.664 0.573 146 3HB ALA 18 3HB ALA 18 -1.095 -3.178 0.607 147 H LYS 19 H LYS 19 -0.575 -7.341 2.151 148 HA LYS 19 HA LYS 19 1.150 -8.500 0.073 149 1HB LYS 19 1HB LYS 19 1.942 -10.105 1.575 150 2HB LYS 19 2HB LYS 19 1.967 -8.615 2.495 151 1HG LYS 19 1HG LYS 19 -0.374 -10.570 2.576 152 2HG LYS 19 2HG LYS 19 0.970 -10.649 3.699 153 1HD LYS 19 1HD LYS 19 0.239 -7.947 3.797 154 2HD LYS 19 2HD LYS 19 -1.303 -8.759 3.621 155 1HE LYS 19 1HE LYS 19 0.775 -9.608 5.689 156 2HE LYS 19 2HE LYS 19 -0.470 -8.426 6.034 157 1HZ LYS 19 1HZ LYS 19 -2.121 -10.010 5.720 158 2HZ LYS 19 2HZ LYS 19 -1.134 -11.069 4.964 159 3HZ LYS 19 3HZ LYS 19 -0.975 -10.808 6.567 160 H MET 20 H MET 20 0.374 -10.325 -1.047 161 HA MET 20 HA MET 20 -2.392 -11.000 -0.416 162 1HB MET 20 1HB MET 20 -1.791 -9.461 -2.548 163 2HB MET 20 2HB MET 20 -1.360 -10.996 -3.274 164 1HG MET 20 1HG MET 20 -3.546 -11.531 -3.603 165 2HG MET 20 2HG MET 20 -3.921 -11.267 -1.912 166 1HE MET 20 1HE MET 20 -6.667 -9.229 -3.040 167 2HE MET 20 2HE MET 20 -6.129 -10.012 -4.546 168 3HE MET 20 3HE MET 20 -6.044 -10.896 -3.004 169 H LYS 21 H LYS 21 -3.074 -13.170 -1.337 170 HA LYS 21 HA LYS 21 -1.269 -15.137 -0.597 171 1HB LYS 21 1HB LYS 21 -3.836 -15.167 -2.184 172 2HB LYS 21 2HB LYS 21 -2.932 -16.637 -1.879 173 1HG LYS 21 1HG LYS 21 -3.615 -14.764 0.412 174 2HG LYS 21 2HG LYS 21 -4.808 -15.904 -0.178 175 1HD LYS 21 1HD LYS 21 -2.774 -17.643 0.057 176 2HD LYS 21 2HD LYS 21 -2.172 -16.451 1.193 177 1HE LYS 21 1HE LYS 21 -4.675 -16.559 2.144 178 2HE LYS 21 2HE LYS 21 -4.687 -18.123 1.353 179 1HZ LYS 21 1HZ LYS 21 -2.377 -18.242 2.599 180 2HZ LYS 21 2HZ LYS 21 -3.162 -17.252 3.632 181 3HZ LYS 21 3HZ LYS 21 -3.775 -18.727 3.289 182 H GLY 22 H GLY 22 0.552 -15.865 -1.544 183 1HA GLY 22 1HA GLY 22 1.756 -16.780 -3.291 184 2HA GLY 22 2HA GLY 22 0.635 -16.096 -4.451 185 H TYR 23 H TYR 23 0.820 -13.428 -2.797 186 HA TYR 23 HA TYR 23 3.351 -12.572 -4.031 187 1HB TYR 23 1HB TYR 23 0.831 -11.780 -4.648 188 2HB TYR 23 2HB TYR 23 0.996 -10.810 -3.198 189 HD1 TYR 23 1HD TYR 23 1.748 -8.631 -3.449 190 HD2 TYR 23 2HD TYR 23 2.943 -11.568 -6.322 191 HE1 TYR 23 1HE TYR 23 2.947 -6.838 -4.793 192 HE2 TYR 23 2HE TYR 23 4.139 -9.764 -7.658 193 HH TYR 23 HH TYR 23 3.879 -6.372 -6.739 194 HA PRO 24 HA PRO 24 4.571 -11.590 0.028 195 1HB PRO 24 1HB PRO 24 6.959 -10.400 -0.554 196 2HB PRO 24 2HB PRO 24 6.761 -12.135 -0.424 197 1HG PRO 24 1HG PRO 24 7.068 -10.483 -2.855 198 2HG PRO 24 2HG PRO 24 7.291 -12.211 -2.667 199 1HD PRO 24 1HD PRO 24 5.041 -10.893 -3.860 200 2HD PRO 24 2HD PRO 24 5.213 -12.612 -3.566 201 H HIS 25 H HIS 25 4.893 -9.843 1.534 202 HA HIS 25 HA HIS 25 3.175 -7.817 1.177 203 1HB HIS 25 1HB HIS 25 5.232 -8.506 3.015 204 2HB HIS 25 2HB HIS 25 5.437 -6.807 2.638 205 HD1 HIS 25 1HD HIS 25 4.209 -8.336 5.325 206 HD2 HIS 25 2HD HIS 25 2.206 -5.987 2.485 207 HE1 HIS 25 1HE HIS 25 2.108 -7.459 6.476 208 H TRP 26 H TRP 26 2.968 -6.379 -0.461 209 HA TRP 26 HA TRP 26 5.459 -5.251 -1.546 210 1HB TRP 26 1HB TRP 26 3.329 -6.591 -2.849 211 2HB TRP 26 2HB TRP 26 3.215 -4.898 -3.296 212 HD1 TRP 26 HD TRP 26 4.475 -4.553 -5.550 213 HE1 TRP 26 1HE TRP 26 6.686 -5.369 -6.737 214 HE3 TRP 26 3HE TRP 26 5.948 -7.677 -1.819 215 HZ2 TRP 26 2HZ TRP 26 8.756 -7.189 -5.998 216 HZ3 TRP 26 3HZ TRP 26 8.075 -8.937 -2.131 217 HH2 TRP 26 HH TRP 26 9.464 -8.731 -4.132 218 HA PRO 27 HA PRO 27 3.904 -1.393 -0.302 219 1HB PRO 27 1HB PRO 27 4.978 0.317 -2.145 220 2HB PRO 27 2HB PRO 27 5.886 -0.328 -0.793 221 1HG PRO 27 1HG PRO 27 6.024 -1.084 -3.647 222 2HG PRO 27 2HG PRO 27 7.187 -1.393 -2.373 223 1HD PRO 27 1HD PRO 27 5.336 -3.273 -3.500 224 2HD PRO 27 2HD PRO 27 6.417 -3.549 -2.149 225 H ALA 28 H ALA 28 1.719 -1.327 -0.293 226 HA ALA 28 HA ALA 28 0.599 -0.415 -2.855 227 1HB ALA 28 1HB ALA 28 0.140 -2.866 -1.781 228 2HB ALA 28 2HB ALA 28 -1.131 -1.930 -0.962 229 3HB ALA 28 3HB ALA 28 -1.066 -1.976 -2.739 230 H ARG 29 H ARG 29 -1.084 1.165 -2.717 231 HA ARG 29 HA ARG 29 -0.915 2.640 -0.247 232 1HB ARG 29 1HB ARG 29 -0.866 3.448 -2.885 233 2HB ARG 29 2HB ARG 29 -2.559 3.700 -2.513 234 1HG ARG 29 1HG ARG 29 -1.605 4.871 -0.318 235 2HG ARG 29 2HG ARG 29 -0.132 5.002 -1.258 236 1HD ARG 29 1HD ARG 29 -1.798 5.943 -3.139 237 2HD ARG 29 2HD ARG 29 -2.824 6.285 -1.760 238 HE ARG 29 HE ARG 29 -0.266 7.243 -1.064 239 1HH1 ARG 29 2HH2 ARG 29 -2.673 7.894 -3.546 240 2HH1 ARG 29 1HH2 ARG 29 -2.215 9.554 -3.737 241 1HH2 ARG 29 2HH1 ARG 29 0.339 9.433 -1.316 242 2HH2 ARG 29 1HH1 ARG 29 -0.489 10.435 -2.459 243 H ILE 30 H ILE 30 -3.004 3.651 0.628 244 HA ILE 30 HA ILE 30 -5.062 1.605 0.628 245 HB ILE 30 HB ILE 30 -3.905 3.090 2.602 246 1HG1 ILE 30 1HG1 ILE 30 -5.132 0.951 2.804 247 2HG1 ILE 30 2HG1 ILE 30 -5.537 2.097 4.065 248 1HG2 ILE 30 1HG2 ILE 30 -6.553 4.388 1.915 249 2HG2 ILE 30 2HG2 ILE 30 -5.732 4.548 3.488 250 3HG2 ILE 30 3HG2 ILE 30 -4.950 5.159 2.010 251 1HD1 ILE 30 1HD1 ILE 30 -7.718 1.941 3.495 252 2HD1 ILE 30 2HD1 ILE 30 -7.336 2.591 1.883 253 3HD1 ILE 30 3HD1 ILE 30 -7.299 0.833 2.165 254 H ASP 31 H ASP 31 -7.237 1.967 0.038 255 HA ASP 31 HA ASP 31 -7.924 4.557 -0.956 256 1HB ASP 31 1HB ASP 31 -7.823 2.104 -2.772 257 2HB ASP 31 2HB ASP 31 -8.676 3.576 -3.188 258 H GLU 32 H GLU 32 -10.300 4.723 -1.225 259 HA GLU 32 HA GLU 32 -11.656 2.480 0.040 260 1HB GLU 32 1HB GLU 32 -12.037 5.455 0.097 261 2HB GLU 32 2HB GLU 32 -13.485 4.472 0.203 262 1HG GLU 32 1HG GLU 32 -12.804 3.438 2.223 263 2HG GLU 32 2HG GLU 32 -11.109 3.795 1.954 264 H MET 33 H MET 33 -13.823 1.869 -0.774 265 HA MET 33 HA MET 33 -13.809 1.817 -3.597 266 1HB MET 33 1HB MET 33 -16.019 0.568 -3.202 267 2HB MET 33 2HB MET 33 -14.643 -0.113 -2.357 268 1HG MET 33 1HG MET 33 -15.886 1.951 -0.706 269 2HG MET 33 2HG MET 33 -17.099 0.794 -1.218 270 1HE MET 33 1HE MET 33 -16.157 -0.096 2.376 271 2HE MET 33 2HE MET 33 -14.918 1.128 2.005 272 3HE MET 33 3HE MET 33 -16.591 1.354 1.438 273 HA PRO 34 HA PRO 34 -16.182 5.493 -3.992 274 1HB PRO 34 1HB PRO 34 -16.010 5.718 -6.710 275 2HB PRO 34 2HB PRO 34 -14.789 6.341 -5.619 276 1HG PRO 34 1HG PRO 34 -14.691 3.929 -7.326 277 2HG PRO 34 2HG PRO 34 -13.368 4.794 -6.571 278 1HD PRO 34 1HD PRO 34 -14.513 2.313 -5.701 279 2HD PRO 34 2HD PRO 34 -13.269 3.237 -4.882 280 H GLU 35 H GLU 35 -18.225 6.266 -4.845 281 HA GLU 35 HA GLU 35 -19.766 4.038 -5.896 282 1HB GLU 35 1HB GLU 35 -21.661 4.631 -4.395 283 2HB GLU 35 2HB GLU 35 -20.251 4.112 -3.494 284 1HG GLU 35 1HG GLU 35 -19.662 6.700 -3.440 285 2HG GLU 35 2HG GLU 35 -21.360 6.914 -3.818 286 H ALA 36 H ALA 36 -18.615 6.064 -7.455 287 HA ALA 36 HA ALA 36 -20.791 7.971 -7.900 288 1HB ALA 36 1HB ALA 36 -19.134 9.224 -9.182 289 2HB ALA 36 2HB ALA 36 -18.462 8.817 -7.584 290 3HB ALA 36 3HB ALA 36 -17.962 7.894 -9.022 291 H ALA 37 H ALA 37 -18.429 6.182 -10.007 292 HA ALA 37 HA ALA 37 -20.055 6.178 -12.239 293 1HB ALA 37 1HB ALA 37 -18.442 3.817 -12.227 294 2HB ALA 37 2HB ALA 37 -18.120 5.369 -13.040 295 3HB ALA 37 3HB ALA 37 -17.533 5.094 -11.382 296 H VAL 38 H VAL 38 -19.834 3.888 -9.473 297 HA VAL 38 HA VAL 38 -22.421 2.832 -10.288 298 HB VAL 38 HB VAL 38 -21.651 0.525 -9.958 299 1HG1 VAL 38 1HG1 VAL 38 -20.231 2.127 -12.108 300 2HG1 VAL 38 2HG1 VAL 38 -20.302 0.348 -12.077 301 3HG1 VAL 38 3HG1 VAL 38 -21.802 1.296 -12.223 302 1HG2 VAL 38 1HG2 VAL 38 -19.019 0.317 -10.227 303 2HG2 VAL 38 2HG2 VAL 38 -19.047 1.897 -9.410 304 3HG2 VAL 38 3HG2 VAL 38 -19.781 0.477 -8.626 305 H LYS 39 H LYS 39 -23.096 1.157 -8.397 306 HA LYS 39 HA LYS 39 -22.507 2.611 -5.918 307 1HB LYS 39 1HB LYS 39 -24.950 1.011 -6.731 308 2HB LYS 39 2HB LYS 39 -24.701 1.720 -5.149 309 1HG LYS 39 1HG LYS 39 -25.273 3.803 -5.875 310 2HG LYS 39 2HG LYS 39 -24.223 3.689 -7.275 311 1HD LYS 39 1HD LYS 39 -26.488 1.899 -7.634 312 2HD LYS 39 2HD LYS 39 -27.078 3.492 -7.209 313 1HE LYS 39 1HE LYS 39 -26.004 4.527 -9.082 314 2HE LYS 39 2HE LYS 39 -24.931 3.165 -9.336 315 1HZ LYS 39 1HZ LYS 39 -26.447 2.201 -10.589 316 2HZ LYS 39 2HZ LYS 39 -27.632 2.373 -9.479 317 3HZ LYS 39 3HZ LYS 39 -27.329 3.576 -10.540 318 H SER 40 H SER 40 -21.629 1.548 -4.180 319 HA SER 40 HA SER 40 -21.429 -1.342 -4.448 320 1HB SER 40 1HB SER 40 -19.259 0.587 -4.527 321 2HB SER 40 2HB SER 40 -19.084 -0.418 -3.102 322 HG SER 40 HG SER 40 -18.729 -2.189 -4.320 323 H THR 41 H THR 41 -20.582 -2.280 -2.189 324 HA THR 41 HA THR 41 -22.034 -0.811 -0.088 325 HB THR 41 HB THR 41 -22.138 -3.275 0.855 326 HG1 THR 41 1HG THR 41 -20.613 -4.095 -0.746 327 1HG2 THR 41 1HG2 THR 41 -23.883 -1.835 -0.836 328 2HG2 THR 41 2HG2 THR 41 -23.679 -3.404 -1.652 329 3HG2 THR 41 3HG2 THR 41 -24.271 -3.344 0.025 330 H ALA 42 H ALA 42 -21.218 -1.492 2.199 331 HA ALA 42 HA ALA 42 -18.309 -1.148 2.103 332 1HB ALA 42 1HB ALA 42 -18.506 0.183 3.976 333 2HB ALA 42 2HB ALA 42 -20.109 0.468 3.254 334 3HB ALA 42 3HB ALA 42 -19.927 -0.698 4.587 335 H ASN 43 H ASN 43 -17.050 -2.853 2.654 336 HA ASN 43 HA ASN 43 -17.850 -4.550 4.772 337 1HB ASN 43 1HB ASN 43 -17.470 -5.869 2.040 338 2HB ASN 43 2HB ASN 43 -17.975 -6.648 3.527 339 1HD2 ASN 43 1HD2 ASN 43 -18.876 -4.517 0.918 340 2HD2 ASN 43 2HD2 ASN 43 -20.593 -4.546 1.151 341 H LYS 44 H LYS 44 -15.799 -4.009 1.838 342 HA LYS 44 HA LYS 44 -13.466 -4.748 3.461 343 1HB LYS 44 1HB LYS 44 -12.433 -5.699 1.448 344 2HB LYS 44 2HB LYS 44 -13.896 -6.551 1.898 345 1HG LYS 44 1HG LYS 44 -14.333 -6.284 -0.360 346 2HG LYS 44 2HG LYS 44 -15.036 -4.787 0.222 347 1HD LYS 44 1HD LYS 44 -12.685 -3.732 -0.146 348 2HD LYS 44 2HD LYS 44 -12.297 -5.184 -1.046 349 1HE LYS 44 1HE LYS 44 -14.140 -4.773 -2.623 350 2HE LYS 44 2HE LYS 44 -14.713 -3.421 -1.666 351 1HZ LYS 44 1HZ LYS 44 -12.561 -2.355 -2.080 352 2HZ LYS 44 2HZ LYS 44 -12.139 -3.583 -3.071 353 3HZ LYS 44 3HZ LYS 44 -13.402 -2.623 -3.454 354 H TYR 45 H TYR 45 -11.388 -3.856 2.108 355 HA TYR 45 HA TYR 45 -12.071 -1.071 1.442 356 1HB TYR 45 1HB TYR 45 -10.364 -2.351 3.438 357 2HB TYR 45 2HB TYR 45 -9.314 -1.531 2.298 358 HD1 TYR 45 1HD TYR 45 -8.506 0.139 3.826 359 HD2 TYR 45 2HD TYR 45 -12.707 -0.318 3.160 360 HE1 TYR 45 1HE TYR 45 -8.942 2.342 5.017 361 HE2 TYR 45 2HE TYR 45 -13.129 1.888 4.353 362 HH TYR 45 HH TYR 45 -10.435 3.906 5.413 363 H GLN 46 H GLN 46 -10.731 -0.021 -0.168 364 HA GLN 46 HA GLN 46 -9.812 -1.942 -2.104 365 1HB GLN 46 1HB GLN 46 -11.295 -0.164 -2.888 366 2HB GLN 46 2HB GLN 46 -10.239 1.073 -2.233 367 1HG GLN 46 1HG GLN 46 -8.478 0.535 -3.823 368 2HG GLN 46 2HG GLN 46 -9.302 -0.922 -4.342 369 1HE2 GLN 46 1HE2 GLN 46 -10.173 2.500 -3.827 370 2HE2 GLN 46 2HE2 GLN 46 -10.939 2.764 -5.358 371 H VAL 47 H VAL 47 -7.671 -2.112 -2.871 372 HA VAL 47 HA VAL 47 -5.716 -0.374 -1.548 373 HB VAL 47 HB VAL 47 -6.024 -3.307 -1.398 374 1HG1 VAL 47 1HG1 VAL 47 -3.397 -3.345 -1.037 375 2HG1 VAL 47 2HG1 VAL 47 -4.116 -3.602 -2.645 376 3HG1 VAL 47 3HG1 VAL 47 -3.451 -2.009 -2.211 377 1HG2 VAL 47 1HG2 VAL 47 -5.030 -3.012 0.768 378 2HG2 VAL 47 2HG2 VAL 47 -4.474 -1.374 0.351 379 3HG2 VAL 47 3HG2 VAL 47 -6.213 -1.704 0.530 380 H PHE 48 H PHE 48 -4.039 0.316 -2.868 381 HA PHE 48 HA PHE 48 -4.195 -0.661 -5.631 382 1HB PHE 48 1HB PHE 48 -4.488 1.909 -4.498 383 2HB PHE 48 2HB PHE 48 -2.807 1.909 -4.993 384 HD1 PHE 48 1HD PHE 48 -3.413 -0.032 -7.408 385 HD2 PHE 48 2HD PHE 48 -5.064 3.646 -6.087 386 HE1 PHE 48 1HE PHE 48 -4.107 0.501 -9.760 387 HE2 PHE 48 2HE PHE 48 -5.758 4.180 -8.439 388 HZ PHE 48 HZ PHE 48 -5.271 2.601 -10.248 389 H PHE 49 H PHE 49 -2.556 -2.080 -6.025 390 HA PHE 49 HA PHE 49 -0.141 -1.941 -4.503 391 1HB PHE 49 1HB PHE 49 -1.379 -3.589 -6.746 392 2HB PHE 49 2HB PHE 49 0.342 -3.760 -6.460 393 HD1 PHE 49 1HD PHE 49 -2.863 -3.786 -4.539 394 HD2 PHE 49 2HD PHE 49 1.036 -5.400 -4.996 395 HE1 PHE 49 1HE PHE 49 -3.330 -5.435 -2.704 396 HE2 PHE 49 2HE PHE 49 0.568 -7.049 -3.162 397 HZ PHE 49 HZ PHE 49 -1.609 -7.047 -2.038 398 H PHE 50 H PHE 50 1.545 -0.610 -4.952 399 HA PHE 50 HA PHE 50 1.637 0.835 -7.383 400 1HB PHE 50 1HB PHE 50 3.453 0.351 -4.964 401 2HB PHE 50 2HB PHE 50 4.007 1.355 -6.289 402 HD1 PHE 50 1HD PHE 50 2.378 1.373 -3.195 403 HD2 PHE 50 2HD PHE 50 2.309 3.273 -6.989 404 HE1 PHE 50 1HE PHE 50 1.212 3.353 -2.183 405 HE2 PHE 50 2HE PHE 50 1.145 5.253 -5.977 406 HZ PHE 50 HZ PHE 50 0.610 5.269 -3.586 407 H GLY 51 H GLY 51 3.892 -1.622 -5.918 408 1HA GLY 51 1HA GLY 51 5.731 -1.927 -7.840 409 2HA GLY 51 2HA GLY 51 5.064 -3.274 -6.939 410 H THR 52 H THR 52 2.558 -3.719 -7.831 411 HA THR 52 HA THR 52 3.022 -4.563 -10.555 412 HB THR 52 HB THR 52 0.934 -5.836 -10.152 413 HG1 THR 52 1HG THR 52 -0.424 -4.995 -8.608 414 1HG2 THR 52 1HG2 THR 52 1.982 -6.071 -7.392 415 2HG2 THR 52 2HG2 THR 52 1.886 -7.308 -8.667 416 3HG2 THR 52 3HG2 THR 52 3.260 -6.178 -8.626 417 H HIS 53 H HIS 53 1.224 -2.044 -8.820 418 HA HIS 53 HA HIS 53 0.257 -0.222 -9.595 419 1HB HIS 53 1HB HIS 53 2.046 -0.735 -11.583 420 2HB HIS 53 2HB HIS 53 0.546 -0.797 -12.487 421 HD1 HIS 53 1HD HIS 53 3.065 1.531 -11.682 422 HD2 HIS 53 2HD HIS 53 -1.126 1.704 -11.633 423 HE1 HIS 53 1HE HIS 53 2.449 4.007 -11.766 424 H GLU 54 H GLU 54 -1.162 -2.623 -8.975 425 HA GLU 54 HA GLU 54 -3.437 -2.229 -10.749 426 1HB GLU 54 1HB GLU 54 -2.285 -4.860 -9.751 427 2HB GLU 54 2HB GLU 54 -3.942 -4.733 -10.308 428 1HG GLU 54 1HG GLU 54 -2.326 -3.421 -12.275 429 2HG GLU 54 2HG GLU 54 -1.503 -4.916 -11.880 430 H THR 55 H THR 55 -5.532 -2.416 -9.720 431 HA THR 55 HA THR 55 -5.362 -2.000 -6.828 432 HB THR 55 HB THR 55 -7.201 -1.186 -9.082 433 HG1 THR 55 1HG THR 55 -6.261 -0.008 -6.566 434 1HG2 THR 55 1HG2 THR 55 -7.976 -1.257 -6.118 435 2HG2 THR 55 2HG2 THR 55 -8.884 -0.429 -7.405 436 3HG2 THR 55 3HG2 THR 55 -8.761 -2.205 -7.404 437 H ALA 56 H ALA 56 -5.681 -3.659 -5.498 438 HA ALA 56 HA ALA 56 -7.566 -5.725 -6.414 439 1HB ALA 56 1HB ALA 56 -4.796 -5.877 -5.354 440 2HB ALA 56 2HB ALA 56 -5.950 -7.021 -4.629 441 3HB ALA 56 3HB ALA 56 -5.690 -7.015 -6.389 442 H PHE 57 H PHE 57 -8.780 -6.796 -4.656 443 HA PHE 57 HA PHE 57 -9.534 -4.843 -2.684 444 1HB PHE 57 1HB PHE 57 -11.436 -6.300 -2.459 445 2HB PHE 57 2HB PHE 57 -10.985 -6.511 -4.139 446 HD1 PHE 57 1HD PHE 57 -9.990 -8.587 -4.910 447 HD2 PHE 57 2HD PHE 57 -11.031 -8.069 -0.829 448 HE1 PHE 57 1HE PHE 57 -9.773 -11.059 -4.540 449 HE2 PHE 57 2HE PHE 57 -10.815 -10.542 -0.459 450 HZ PHE 57 HZ PHE 57 -10.187 -12.008 -2.319 451 H LEU 58 H LEU 58 -8.879 -4.784 -0.581 452 HA LEU 58 HA LEU 58 -8.034 -7.236 0.690 453 1HB LEU 58 1HB LEU 58 -6.151 -4.971 0.085 454 2HB LEU 58 2HB LEU 58 -5.906 -6.018 1.469 455 HG LEU 58 HG LEU 58 -6.011 -6.900 -1.428 456 1HD1 LEU 58 1HD1 LEU 58 -3.648 -7.270 -1.270 457 2HD1 LEU 58 2HD1 LEU 58 -3.989 -5.598 -0.765 458 3HD1 LEU 58 3HD1 LEU 58 -3.645 -6.845 0.459 459 1HD2 LEU 58 1HD2 LEU 58 -6.443 -8.395 0.970 460 2HD2 LEU 58 2HD2 LEU 58 -6.388 -8.964 -0.716 461 3HD2 LEU 58 3HD2 LEU 58 -4.894 -8.898 0.251 462 H GLY 59 H GLY 59 -7.249 -6.504 3.091 463 1HA GLY 59 1HA GLY 59 -9.097 -4.377 3.982 464 2HA GLY 59 2HA GLY 59 -9.072 -5.956 4.746 465 HA PRO 60 HA PRO 60 -6.040 -3.473 6.991 466 1HB PRO 60 1HB PRO 60 -6.921 -4.049 9.512 467 2HB PRO 60 2HB PRO 60 -7.441 -2.636 8.615 468 1HG PRO 60 1HG PRO 60 -8.923 -5.134 9.158 469 2HG PRO 60 2HG PRO 60 -9.546 -3.577 8.650 470 1HD PRO 60 1HD PRO 60 -9.188 -5.902 7.008 471 2HD PRO 60 2HD PRO 60 -9.700 -4.312 6.477 472 H LYS 61 H LYS 61 -7.108 -6.745 7.327 473 HA LYS 61 HA LYS 61 -4.864 -7.579 8.834 474 1HB LYS 61 1HB LYS 61 -5.659 -9.836 8.313 475 2HB LYS 61 2HB LYS 61 -6.962 -8.805 8.869 476 1HG LYS 61 1HG LYS 61 -7.691 -8.416 6.528 477 2HG LYS 61 2HG LYS 61 -6.346 -9.368 5.928 478 1HD LYS 61 1HD LYS 61 -7.308 -11.290 7.437 479 2HD LYS 61 2HD LYS 61 -8.768 -10.323 7.496 480 1HE LYS 61 1HE LYS 61 -8.975 -10.370 5.049 481 2HE LYS 61 2HE LYS 61 -7.417 -11.154 4.887 482 1HZ LYS 61 1HZ LYS 61 -8.994 -12.833 4.770 483 2HZ LYS 61 2HZ LYS 61 -8.410 -12.963 6.290 484 3HZ LYS 61 3HZ LYS 61 -9.866 -12.273 6.032 485 H ASP 62 H ASP 62 -5.690 -7.557 5.316 486 HA ASP 62 HA ASP 62 -3.302 -8.820 4.585 487 1HB ASP 62 1HB ASP 62 -5.531 -7.354 3.216 488 2HB ASP 62 2HB ASP 62 -4.021 -7.442 2.331 489 H LEU 63 H LEU 63 -3.949 -5.761 5.899 490 HA LEU 63 HA LEU 63 -1.660 -4.550 4.511 491 1HB LEU 63 1HB LEU 63 -4.166 -3.374 5.679 492 2HB LEU 63 2HB LEU 63 -2.726 -2.400 5.459 493 HG LEU 63 HG LEU 63 -4.443 -3.715 3.358 494 1HD1 LEU 63 1HD1 LEU 63 -3.509 -0.946 3.022 495 2HD1 LEU 63 2HD1 LEU 63 -5.134 -1.648 2.839 496 3HD1 LEU 63 3HD1 LEU 63 -4.529 -1.214 4.456 497 1HD2 LEU 63 1HD2 LEU 63 -2.682 -2.753 1.730 498 2HD2 LEU 63 2HD2 LEU 63 -1.576 -2.831 3.122 499 3HD2 LEU 63 3HD2 LEU 63 -2.357 -4.313 2.522 500 H PHE 64 H PHE 64 0.039 -3.699 5.736 501 HA PHE 64 HA PHE 64 -0.221 -3.937 8.632 502 1HB PHE 64 1HB PHE 64 1.122 -5.770 6.890 503 2HB PHE 64 2HB PHE 64 2.407 -4.771 7.542 504 HD1 PHE 64 1HD PHE 64 3.492 -5.782 9.293 505 HD2 PHE 64 2HD PHE 64 -0.707 -6.296 8.955 506 HE1 PHE 64 1HE PHE 64 3.491 -7.152 11.396 507 HE2 PHE 64 2HE PHE 64 -0.707 -7.667 11.058 508 HZ PHE 64 HZ PHE 64 1.391 -8.078 12.253 509 HA PRO 65 HA PRO 65 1.945 -0.183 8.368 510 1HB PRO 65 1HB PRO 65 2.526 0.192 11.012 511 2HB PRO 65 2HB PRO 65 0.971 0.590 10.305 512 1HG PRO 65 1HG PRO 65 1.692 -1.702 12.029 513 2HG PRO 65 2HG PRO 65 0.104 -1.056 11.669 514 1HD PRO 65 1HD PRO 65 1.280 -3.428 10.568 515 2HD PRO 65 2HD PRO 65 -0.259 -2.718 10.124 516 H TYR 66 H TYR 66 4.047 0.945 8.991 517 HA TYR 66 HA TYR 66 6.105 -0.925 8.300 518 1HB TYR 66 1HB TYR 66 6.251 1.297 7.367 519 2HB TYR 66 2HB TYR 66 5.715 2.049 8.856 520 HD1 TYR 66 1HD TYR 66 8.609 0.507 7.140 521 HD2 TYR 66 2HD TYR 66 7.280 2.681 10.576 522 HE1 TYR 66 1HE TYR 66 11.022 1.013 7.761 523 HE2 TYR 66 2HE TYR 66 9.697 3.179 11.186 524 HH TYR 66 HH TYR 66 12.264 2.598 9.002 525 H GLU 67 H GLU 67 5.051 0.898 11.211 526 HA GLU 67 HA GLU 67 7.280 0.561 12.738 527 1HB GLU 67 1HB GLU 67 4.345 0.874 13.311 528 2HB GLU 67 2HB GLU 67 5.382 0.422 14.649 529 1HG GLU 67 1HG GLU 67 6.889 2.385 14.070 530 2HG GLU 67 2HG GLU 67 5.726 2.866 12.850 531 H GLU 68 H GLU 68 4.423 -1.651 12.396 532 HA GLU 68 HA GLU 68 5.476 -3.556 14.154 533 1HB GLU 68 1HB GLU 68 3.065 -3.140 12.708 534 2HB GLU 68 2HB GLU 68 3.662 -4.699 12.178 535 1HG GLU 68 1HG GLU 68 4.095 -4.894 14.893 536 2HG GLU 68 2HG GLU 68 2.679 -3.861 14.868 537 H SER 69 H SER 69 5.410 -3.267 10.543 538 HA SER 69 HA SER 69 6.579 -5.678 9.991 539 1HB SER 69 1HB SER 69 6.575 -4.920 7.833 540 2HB SER 69 2HB SER 69 5.645 -3.596 8.506 541 HG SER 69 HG SER 69 7.696 -3.160 7.131 542 H LYS 70 H LYS 70 8.128 -2.419 10.451 543 HA LYS 70 HA LYS 70 10.753 -3.407 10.171 544 1HB LYS 70 1HB LYS 70 11.415 -1.235 10.514 545 2HB LYS 70 2HB LYS 70 9.771 -0.991 9.959 546 1HG LYS 70 1HG LYS 70 9.617 0.299 11.859 547 2HG LYS 70 2HG LYS 70 9.270 -1.240 12.620 548 1HD LYS 70 1HD LYS 70 11.884 -1.435 12.894 549 2HD LYS 70 2HD LYS 70 11.894 0.289 12.578 550 1HE LYS 70 1HE LYS 70 9.839 -0.481 14.560 551 2HE LYS 70 2HE LYS 70 11.456 -0.926 15.068 552 1HZ LYS 70 1HZ LYS 70 12.051 1.424 14.383 553 2HZ LYS 70 2HZ LYS 70 10.448 1.733 14.399 554 3HZ LYS 70 3HZ LYS 70 11.201 1.240 15.763 555 H GLU 71 H GLU 71 8.388 -3.700 12.663 556 HA GLU 71 HA GLU 71 10.059 -3.633 14.881 557 1HB GLU 71 1HB GLU 71 7.380 -3.802 14.528 558 2HB GLU 71 2HB GLU 71 7.703 -5.494 14.860 559 1HG GLU 71 1HG GLU 71 8.608 -3.180 16.640 560 2HG GLU 71 2HG GLU 71 7.181 -4.154 16.931 561 H LYS 72 H LYS 72 8.776 -6.451 12.968 562 HA LYS 72 HA LYS 72 10.846 -8.100 14.207 563 1HB LYS 72 1HB LYS 72 8.545 -8.913 14.369 564 2HB LYS 72 2HB LYS 72 8.365 -8.844 12.628 565 1HG LYS 72 1HG LYS 72 8.880 -11.143 13.241 566 2HG LYS 72 2HG LYS 72 10.265 -10.487 12.392 567 1HD LYS 72 1HD LYS 72 10.438 -9.971 15.283 568 2HD LYS 72 2HD LYS 72 10.268 -11.683 14.950 569 1HE LYS 72 1HE LYS 72 12.125 -11.088 13.058 570 2HE LYS 72 2HE LYS 72 12.498 -9.811 14.197 571 1HZ LYS 72 1HZ LYS 72 12.172 -12.094 15.681 572 2HZ LYS 72 2HZ LYS 72 13.073 -12.540 14.393 573 3HZ LYS 72 3HZ LYS 72 13.573 -11.320 15.358 574 H PHE 73 H PHE 73 9.328 -7.766 10.916 575 HA PHE 73 HA PHE 73 12.050 -7.815 9.837 576 1HB PHE 73 1HB PHE 73 10.189 -9.052 8.014 577 2HB PHE 73 2HB PHE 73 11.512 -9.838 8.853 578 HD1 PHE 73 1HD PHE 73 10.940 -11.715 10.044 579 HD2 PHE 73 2HD PHE 73 8.089 -8.590 9.711 580 HE1 PHE 73 1HE PHE 73 9.295 -13.075 11.363 581 HE2 PHE 73 2HE PHE 73 6.444 -9.950 11.032 582 HZ PHE 73 HZ PHE 73 7.066 -12.177 11.841 583 H GLY 74 H GLY 74 8.822 -7.832 8.226 584 1HA GLY 74 1HA GLY 74 7.752 -6.258 7.015 585 2HA GLY 74 2HA GLY 74 8.743 -5.027 7.771 586 H LYS 75 H LYS 75 10.727 -7.502 6.466 587 HA LYS 75 HA LYS 75 11.136 -5.886 4.047 588 1HB LYS 75 1HB LYS 75 13.224 -7.571 5.445 589 2HB LYS 75 2HB LYS 75 13.467 -6.406 4.158 590 1HG LYS 75 1HG LYS 75 13.104 -4.552 5.577 591 2HG LYS 75 2HG LYS 75 12.171 -5.483 6.732 592 1HD LYS 75 1HD LYS 75 14.353 -5.012 7.715 593 2HD LYS 75 2HD LYS 75 14.260 -6.730 7.382 594 1HE LYS 75 1HE LYS 75 15.281 -5.450 5.011 595 2HE LYS 75 2HE LYS 75 16.172 -4.810 6.377 596 1HZ LYS 75 1HZ LYS 75 17.320 -6.688 6.088 597 2HZ LYS 75 2HZ LYS 75 16.134 -7.374 6.978 598 3HZ LYS 75 3HZ LYS 75 16.106 -7.490 5.350 599 HA PRO 76 HA PRO 76 9.706 -9.773 2.449 600 1HB PRO 76 1HB PRO 76 8.508 -8.759 0.211 601 2HB PRO 76 2HB PRO 76 7.667 -8.973 1.735 602 1HG PRO 76 1HG PRO 76 8.655 -6.476 0.498 603 2HG PRO 76 2HG PRO 76 7.469 -6.675 1.772 604 1HD PRO 76 1HD PRO 76 10.196 -5.842 2.082 605 2HD PRO 76 2HD PRO 76 9.043 -6.154 3.365 606 H ASN 77 H ASN 77 9.908 -10.861 0.193 607 HA ASN 77 HA ASN 77 12.540 -11.073 -0.309 608 1HB ASN 77 1HB ASN 77 10.469 -11.280 -2.543 609 2HB ASN 77 2HB ASN 77 11.921 -12.240 -2.340 610 1HD2 ASN 77 1HD2 ASN 77 8.724 -11.535 -1.059 611 2HD2 ASN 77 2HD2 ASN 77 8.459 -13.035 -0.234 612 H LYS 78 H LYS 78 14.041 -10.035 -1.749 613 HA LYS 78 HA LYS 78 13.161 -7.433 -2.703 614 1HB LYS 78 1HB LYS 78 15.266 -7.923 -1.253 615 2HB LYS 78 2HB LYS 78 15.992 -8.461 -2.754 616 1HG LYS 78 1HG LYS 78 16.530 -6.253 -3.032 617 2HG LYS 78 2HG LYS 78 14.874 -6.088 -3.581 618 1HD LYS 78 1HD LYS 78 14.954 -4.428 -1.937 619 2HD LYS 78 2HD LYS 78 14.324 -5.773 -1.008 620 1HE LYS 78 1HE LYS 78 16.444 -6.220 0.014 621 2HE LYS 78 2HE LYS 78 17.320 -5.294 -1.187 622 1HZ LYS 78 1HZ LYS 78 15.534 -4.234 0.885 623 2HZ LYS 78 2HZ LYS 78 17.144 -4.003 0.753 624 3HZ LYS 78 3HZ LYS 78 16.131 -3.321 -0.330 625 H ARG 79 H ARG 79 11.892 -8.025 -4.523 626 HA ARG 79 HA ARG 79 13.323 -9.502 -6.556 627 1HB ARG 79 1HB ARG 79 10.411 -8.865 -6.029 628 2HB ARG 79 2HB ARG 79 10.895 -9.221 -7.675 629 1HG ARG 79 1HG ARG 79 11.732 -11.061 -5.409 630 2HG ARG 79 2HG ARG 79 10.128 -11.195 -6.104 631 1HD ARG 79 1HD ARG 79 11.110 -11.544 -8.364 632 2HD ARG 79 2HD ARG 79 12.724 -11.335 -7.715 633 HE ARG 79 HE ARG 79 11.212 -13.427 -6.338 634 1HH1 ARG 79 2HH2 ARG 79 13.268 -12.718 -9.105 635 2HH1 ARG 79 1HH2 ARG 79 13.795 -14.357 -9.294 636 1HH2 ARG 79 2HH1 ARG 79 11.908 -15.589 -6.587 637 2HH2 ARG 79 1HH1 ARG 79 13.017 -16.001 -7.853 638 H LYS 80 H LYS 80 12.267 -8.580 -8.926 639 HA LYS 80 HA LYS 80 13.608 -6.115 -9.252 640 1HB LYS 80 1HB LYS 80 12.962 -8.193 -10.883 641 2HB LYS 80 2HB LYS 80 11.740 -7.033 -11.362 642 1HG LYS 80 1HG LYS 80 14.198 -5.575 -11.105 643 2HG LYS 80 2HG LYS 80 14.574 -7.041 -11.990 644 1HD LYS 80 1HD LYS 80 12.084 -5.550 -12.793 645 2HD LYS 80 2HD LYS 80 13.622 -4.820 -13.208 646 1HE LYS 80 1HE LYS 80 13.850 -6.251 -14.951 647 2HE LYS 80 2HE LYS 80 13.814 -7.618 -13.855 648 1HZ LYS 80 1HZ LYS 80 12.018 -7.421 -15.617 649 2HZ LYS 80 2HZ LYS 80 11.554 -7.833 -14.107 650 3HZ LYS 80 3HZ LYS 80 11.328 -6.307 -14.642 651 H GLY 81 H GLY 81 10.150 -7.107 -9.030 652 1HA GLY 81 1HA GLY 81 9.156 -4.468 -9.513 653 2HA GLY 81 2HA GLY 81 8.262 -5.864 -8.946 654 H PHE 82 H PHE 82 10.737 -5.960 -6.841 655 HA PHE 82 HA PHE 82 9.216 -4.628 -4.809 656 1HB PHE 82 1HB PHE 82 10.357 -6.803 -4.422 657 2HB PHE 82 2HB PHE 82 11.885 -6.144 -4.973 658 HD1 PHE 82 1HD PHE 82 9.962 -6.924 -2.149 659 HD2 PHE 82 2HD PHE 82 12.763 -4.076 -3.579 660 HE1 PHE 82 1HE PHE 82 10.553 -6.318 0.215 661 HE2 PHE 82 2HE PHE 82 13.355 -3.470 -1.216 662 HZ PHE 82 HZ PHE 82 12.242 -4.597 0.653 663 H SER 83 H SER 83 12.392 -4.205 -6.474 664 HA SER 83 HA SER 83 13.085 -2.000 -4.847 665 1HB SER 83 1HB SER 83 14.902 -1.698 -6.623 666 2HB SER 83 2HB SER 83 14.892 -3.242 -5.795 667 HG SER 83 HG SER 83 14.639 -4.196 -7.684 668 H GLU 84 H GLU 84 12.108 -2.375 -8.337 669 HA GLU 84 HA GLU 84 11.994 0.341 -8.839 670 1HB GLU 84 1HB GLU 84 11.118 -0.260 -10.928 671 2HB GLU 84 2HB GLU 84 11.958 -1.723 -10.453 672 1HG GLU 84 1HG GLU 84 9.733 -2.556 -9.473 673 2HG GLU 84 2HG GLU 84 8.965 -1.173 -10.226 674 H GLY 85 H GLY 85 9.705 -1.904 -7.315 675 1HA GLY 85 1HA GLY 85 7.393 -0.260 -7.575 676 2HA GLY 85 2HA GLY 85 7.616 -1.632 -6.507 677 H LEU 86 H LEU 86 9.386 -1.134 -4.654 678 HA LEU 86 HA LEU 86 8.281 0.603 -2.900 679 1HB LEU 86 1HB LEU 86 9.742 -0.760 -1.875 680 2HB LEU 86 2HB LEU 86 10.883 -0.745 -3.205 681 HG LEU 86 HG LEU 86 11.814 0.224 -1.148 682 1HD1 LEU 86 1HD1 LEU 86 11.659 2.619 -2.883 683 2HD1 LEU 86 2HD1 LEU 86 13.070 1.726 -2.265 684 3HD1 LEU 86 3HD1 LEU 86 12.170 1.108 -3.673 685 1HD2 LEU 86 1HD2 LEU 86 10.804 2.735 -0.846 686 2HD2 LEU 86 2HD2 LEU 86 9.333 1.811 -1.238 687 3HD2 LEU 86 3HD2 LEU 86 10.347 1.327 0.143 688 H TRP 87 H TRP 87 10.302 1.336 -5.690 689 HA TRP 87 HA TRP 87 10.817 4.029 -4.752 690 1HB TRP 87 1HB TRP 87 12.380 2.446 -6.134 691 2HB TRP 87 2HB TRP 87 11.452 3.024 -7.503 692 HD1 TRP 87 HD TRP 87 12.506 5.137 -8.605 693 HE1 TRP 87 1HE TRP 87 14.079 7.149 -7.938 694 HE3 TRP 87 3HE TRP 87 12.919 3.871 -3.697 695 HZ2 TRP 87 2HZ TRP 87 15.291 7.967 -5.488 696 HZ3 TRP 87 3HZ TRP 87 14.317 5.331 -2.236 697 HH2 TRP 87 HH TRP 87 15.480 7.317 -3.058 698 H GLU 88 H GLU 88 8.892 2.210 -7.209 699 HA GLU 88 HA GLU 88 7.878 4.308 -8.594 700 1HB GLU 88 1HB GLU 88 7.415 1.542 -8.421 701 2HB GLU 88 2HB GLU 88 5.848 2.244 -8.075 702 1HG GLU 88 1HG GLU 88 7.521 3.171 -10.446 703 2HG GLU 88 2HG GLU 88 6.439 1.798 -10.567 704 H ILE 89 H ILE 89 7.338 3.450 -5.261 705 HA ILE 89 HA ILE 89 4.928 5.104 -5.164 706 HB ILE 89 HB ILE 89 4.396 3.178 -4.084 707 1HG1 ILE 89 1HG1 ILE 89 4.199 5.175 -2.559 708 2HG1 ILE 89 2HG1 ILE 89 4.224 3.613 -1.765 709 1HG2 ILE 89 1HG2 ILE 89 6.136 2.089 -2.446 710 2HG2 ILE 89 2HG2 ILE 89 6.235 1.809 -4.202 711 3HG2 ILE 89 3HG2 ILE 89 7.313 2.996 -3.428 712 1HD1 ILE 89 1HD1 ILE 89 6.003 4.268 -0.535 713 2HD1 ILE 89 2HD1 ILE 89 6.955 4.471 -2.025 714 3HD1 ILE 89 3HD1 ILE 89 6.012 5.836 -1.379 715 H GLU 90 H GLU 90 8.310 4.810 -4.034 716 HA GLU 90 HA GLU 90 8.126 6.983 -2.267 717 1HB GLU 90 1HB GLU 90 10.298 5.274 -3.415 718 2HB GLU 90 2HB GLU 90 10.791 6.846 -2.818 719 1HG GLU 90 1HG GLU 90 9.027 5.850 -0.836 720 2HG GLU 90 2HG GLU 90 9.987 4.463 -1.311 721 H ASN 91 H ASN 91 7.996 6.806 -5.655 722 HA ASN 91 HA ASN 91 8.928 9.565 -5.817 723 1HB ASN 91 1HB ASN 91 8.892 7.951 -8.338 724 2HB ASN 91 2HB ASN 91 10.071 9.128 -7.794 725 1HD2 ASN 91 1HD2 ASN 91 10.764 8.182 -5.324 726 2HD2 ASN 91 2HD2 ASN 91 11.582 6.660 -5.450 727 H ASN 92 H ASN 92 6.296 9.057 -5.086 728 HA ASN 92 HA ASN 92 4.520 8.483 -7.084 729 1HB ASN 92 1HB ASN 92 2.840 9.492 -5.644 730 2HB ASN 92 2HB ASN 92 4.042 8.780 -4.586 731 1HD2 ASN 92 1HD2 ASN 92 4.445 9.983 -2.910 732 2HD2 ASN 92 2HD2 ASN 92 4.569 11.709 -2.853 733 HA PRO 93 HA PRO 93 4.485 12.159 -9.475 734 1HB PRO 93 1HB PRO 93 1.934 12.208 -10.454 735 2HB PRO 93 2HB PRO 93 3.197 11.192 -11.122 736 1HG PRO 93 1HG PRO 93 0.913 10.423 -9.411 737 2HG PRO 93 2HG PRO 93 1.920 9.405 -10.421 738 1HD PRO 93 1HD PRO 93 2.051 9.657 -7.566 739 2HD PRO 93 2HD PRO 93 3.132 8.731 -8.588 740 H THR 94 H THR 94 1.798 11.884 -7.243 741 HA THR 94 HA THR 94 2.004 14.803 -6.889 742 HB THR 94 HB THR 94 -0.134 13.980 -7.968 743 HG1 THR 94 1HG THR 94 -0.967 15.600 -6.710 744 1HG2 THR 94 1HG2 THR 94 -1.468 12.367 -7.007 745 2HG2 THR 94 2HG2 THR 94 0.015 11.865 -6.159 746 3HG2 THR 94 3HG2 THR 94 -1.138 12.961 -5.361 747 H VAL 95 H VAL 95 3.638 14.678 -5.307 748 HA VAL 95 HA VAL 95 3.073 13.074 -2.965 749 HB VAL 95 HB VAL 95 5.321 13.164 -3.921 750 1HG1 VAL 95 1HG1 VAL 95 4.806 15.915 -4.194 751 2HG1 VAL 95 2HG1 VAL 95 6.106 15.792 -2.986 752 3HG1 VAL 95 3HG1 VAL 95 6.309 15.049 -4.590 753 1HG2 VAL 95 1HG2 VAL 95 4.685 13.143 -1.311 754 2HG2 VAL 95 2HG2 VAL 95 6.364 13.060 -1.897 755 3HG2 VAL 95 3HG2 VAL 95 5.691 14.612 -1.343 756 H LYS 96 H LYS 96 2.427 13.860 -0.965 757 HA LYS 96 HA LYS 96 1.749 16.719 -0.949 758 1HB LYS 96 1HB LYS 96 -0.119 16.183 0.471 759 2HB LYS 96 2HB LYS 96 -0.198 15.195 -0.974 760 1HG LYS 96 1HG LYS 96 -0.064 13.276 0.234 761 2HG LYS 96 2HG LYS 96 1.375 13.826 1.067 762 1HD LYS 96 1HD LYS 96 0.151 14.816 2.831 763 2HD LYS 96 2HD LYS 96 -1.302 14.988 1.865 764 1HE LYS 96 1HE LYS 96 -1.884 13.167 3.221 765 2HE LYS 96 2HE LYS 96 -1.271 12.340 1.804 766 1HZ LYS 96 1HZ LYS 96 -0.396 11.832 4.201 767 2HZ LYS 96 2HZ LYS 96 0.573 11.701 2.892 768 3HZ LYS 96 3HZ LYS 96 0.657 13.028 3.841 769 H ALA 97 H ALA 97 3.353 14.002 0.674 770 HA ALA 97 HA ALA 97 3.872 15.567 3.042 771 1HB ALA 97 1HB ALA 97 3.913 13.467 3.846 772 2HB ALA 97 2HB ALA 97 3.964 12.780 2.206 773 3HB ALA 97 3HB ALA 97 5.475 13.250 3.021 774 H SER 98 H SER 98 5.009 17.395 2.165 775 HA SER 98 HA SER 98 7.101 17.243 0.428 776 1HB SER 98 1HB SER 98 7.746 19.461 1.270 777 2HB SER 98 2HB SER 98 6.002 19.349 1.137 778 HG SER 98 HG SER 98 6.713 20.319 3.163 779 H GLY 99 H GLY 99 9.459 17.324 0.751 780 1HA GLY 99 1HA GLY 99 10.795 17.112 3.152 781 2HA GLY 99 2HA GLY 99 10.355 15.471 2.723 782 H TYR 100 H TYR 100 10.682 15.082 0.128 783 HA TYR 100 HA TYR 100 13.302 16.225 -0.562 784 1HB TYR 100 1HB TYR 100 14.098 14.054 -0.338 785 2HB TYR 100 2HB TYR 100 12.509 13.533 0.184 786 HD1 TYR 100 1HD TYR 100 14.087 14.551 -3.076 787 HD2 TYR 100 2HD TYR 100 11.674 11.715 -0.971 788 HE1 TYR 100 1HE TYR 100 13.831 13.180 -5.202 789 HE2 TYR 100 2HE TYR 100 11.427 10.354 -3.104 790 HH TYR 100 HH TYR 100 13.164 10.251 -5.386 Start of MODEL 10 1 H MET 1 H MET 1 5.931 22.178 3.871 2 HA MET 1 HA MET 1 5.770 21.579 6.723 3 1HB MET 1 1HB MET 1 3.709 21.844 4.500 4 2HB MET 1 2HB MET 1 3.337 20.823 5.874 5 1HG MET 1 1HG MET 1 2.540 22.796 6.763 6 2HG MET 1 2HG MET 1 4.218 23.015 7.224 7 1HE MET 1 1HE MET 1 5.835 24.585 6.244 8 2HE MET 1 2HE MET 1 5.233 26.125 5.582 9 3HE MET 1 3HE MET 1 4.644 25.542 7.157 10 H SER 2 H SER 2 5.151 19.337 7.321 11 HA SER 2 HA SER 2 5.420 17.406 5.210 12 1HB SER 2 1HB SER 2 7.637 18.087 6.897 13 2HB SER 2 2HB SER 2 7.082 16.503 7.403 14 HG SER 2 HG SER 2 7.386 15.693 5.303 15 H ARG 3 H ARG 3 4.047 15.674 5.598 16 HA ARG 3 HA ARG 3 2.594 15.783 8.056 17 1HB ARG 3 1HB ARG 3 1.117 14.105 6.985 18 2HB ARG 3 2HB ARG 3 1.414 15.436 5.885 19 1HG ARG 3 1HG ARG 3 3.459 13.337 5.613 20 2HG ARG 3 2HG ARG 3 1.847 12.698 5.362 21 1HD ARG 3 1HD ARG 3 2.204 15.296 4.016 22 2HD ARG 3 2HD ARG 3 3.393 14.122 3.481 23 HE ARG 3 HE ARG 3 0.571 14.087 2.873 24 1HH1 ARG 3 2HH2 ARG 3 3.275 11.943 3.558 25 2HH1 ARG 3 1HH2 ARG 3 2.607 10.609 2.678 26 1HH2 ARG 3 2HH1 ARG 3 -0.311 12.328 1.712 27 2HH2 ARG 3 1HH1 ARG 3 0.553 10.830 1.621 28 H SER 4 H SER 4 2.123 13.652 9.264 29 HA SER 4 HA SER 4 4.570 12.066 9.279 30 1HB SER 4 1HB SER 4 3.923 11.561 11.693 31 2HB SER 4 2HB SER 4 4.394 13.219 11.373 32 HG SER 4 HG SER 4 2.426 13.904 11.890 33 H ASN 5 H ASN 5 4.283 9.718 9.864 34 HA ASN 5 HA ASN 5 2.041 8.701 8.448 35 1HB ASN 5 1HB ASN 5 3.118 6.519 8.762 36 2HB ASN 5 2HB ASN 5 4.363 7.686 8.358 37 1HD2 ASN 5 1HD2 ASN 5 3.090 5.531 10.703 38 2HD2 ASN 5 2HD2 ASN 5 4.294 5.720 11.934 39 H ARG 6 H ARG 6 1.000 6.557 9.616 40 HA ARG 6 HA ARG 6 0.275 7.448 12.291 41 1HB ARG 6 1HB ARG 6 -1.936 6.524 11.935 42 2HB ARG 6 2HB ARG 6 -1.555 7.461 10.505 43 1HG ARG 6 1HG ARG 6 -0.557 4.762 10.135 44 2HG ARG 6 2HG ARG 6 -2.226 4.674 10.662 45 1HD ARG 6 1HD ARG 6 -2.727 5.025 8.454 46 2HD ARG 6 2HD ARG 6 -2.395 6.709 8.807 47 HE ARG 6 HE ARG 6 -0.571 4.809 7.430 48 1HH1 ARG 6 2HH2 ARG 6 -1.110 8.038 8.721 49 2HH1 ARG 6 1HH2 ARG 6 0.203 8.747 7.843 50 1HH2 ARG 6 2HH1 ARG 6 1.162 5.745 6.272 51 2HH2 ARG 6 1HH1 ARG 6 1.504 7.434 6.440 52 H GLN 7 H GLN 7 -0.907 5.258 13.403 53 HA GLN 7 HA GLN 7 1.200 3.253 13.206 54 1HB GLN 7 1HB GLN 7 0.309 2.638 15.580 55 2HB GLN 7 2HB GLN 7 1.293 4.077 15.407 56 1HG GLN 7 1HG GLN 7 -1.737 4.233 15.200 57 2HG GLN 7 2HG GLN 7 -0.944 4.246 16.763 58 1HE2 GLN 7 1HE2 GLN 7 -2.211 6.143 14.459 59 2HE2 GLN 7 2HE2 GLN 7 -1.317 7.613 14.672 60 H LYS 8 H LYS 8 -2.348 3.814 13.520 61 HA LYS 8 HA LYS 8 -2.758 1.232 12.240 62 1HB LYS 8 1HB LYS 8 -4.651 0.805 13.902 63 2HB LYS 8 2HB LYS 8 -3.012 0.515 14.452 64 1HG LYS 8 1HG LYS 8 -4.092 3.284 14.884 65 2HG LYS 8 2HG LYS 8 -4.804 2.011 15.854 66 1HD LYS 8 1HD LYS 8 -1.785 2.276 15.625 67 2HD LYS 8 2HD LYS 8 -2.681 3.255 16.768 68 1HE LYS 8 1HE LYS 8 -3.748 0.987 17.556 69 2HE LYS 8 2HE LYS 8 -2.432 0.225 16.686 70 1HZ LYS 8 1HZ LYS 8 -2.246 1.052 19.180 71 2HZ LYS 8 2HZ LYS 8 -0.956 0.930 18.186 72 3HZ LYS 8 3HZ LYS 8 -1.668 2.379 18.426 73 H GLU 9 H GLU 9 -4.001 4.407 13.376 74 HA GLU 9 HA GLU 9 -6.344 4.259 11.847 75 1HB GLU 9 1HB GLU 9 -6.396 6.778 12.279 76 2HB GLU 9 2HB GLU 9 -6.327 5.761 13.705 77 1HG GLU 9 1HG GLU 9 -4.427 6.806 14.358 78 2HG GLU 9 2HG GLU 9 -3.613 6.230 12.916 79 H TYR 10 H TYR 10 -6.517 4.327 9.654 80 HA TYR 10 HA TYR 10 -4.518 5.933 8.212 81 1HB TYR 10 1HB TYR 10 -5.137 4.023 6.418 82 2HB TYR 10 2HB TYR 10 -3.957 3.675 7.666 83 HD1 TYR 10 1HD TYR 10 -7.717 3.718 7.595 84 HD2 TYR 10 2HD TYR 10 -4.156 1.498 8.427 85 HE1 TYR 10 1HE TYR 10 -9.119 1.748 8.381 86 HE2 TYR 10 2HE TYR 10 -5.570 -0.463 9.210 87 HH TYR 10 HH TYR 10 -9.027 -0.486 8.764 88 H LYS 11 H LYS 11 -5.325 6.435 5.891 89 HA LYS 11 HA LYS 11 -8.196 6.534 5.652 90 1HB LYS 11 1HB LYS 11 -6.672 8.814 6.638 91 2HB LYS 11 2HB LYS 11 -7.499 9.195 5.140 92 1HG LYS 11 1HG LYS 11 -9.070 7.662 7.194 93 2HG LYS 11 2HG LYS 11 -8.712 9.336 7.567 94 1HD LYS 11 1HD LYS 11 -10.581 9.796 6.333 95 2HD LYS 11 2HD LYS 11 -9.528 9.578 4.949 96 1HE LYS 11 1HE LYS 11 -10.140 7.091 4.986 97 2HE LYS 11 2HE LYS 11 -11.332 7.465 6.215 98 1HZ LYS 11 1HZ LYS 11 -11.395 9.099 3.840 99 2HZ LYS 11 2HZ LYS 11 -11.860 7.544 3.656 100 3HZ LYS 11 3HZ LYS 11 -12.629 8.504 4.729 101 H CYS 12 H CYS 12 -8.840 7.337 3.456 102 HA CYS 12 HA CYS 12 -7.543 6.053 1.483 103 1HB CYS 12 1HB CYS 12 -9.821 7.181 1.407 104 2HB CYS 12 2HB CYS 12 -8.990 8.679 1.039 105 HG CYS 12 HG CYS 12 -9.288 8.221 -1.292 106 H GLY 13 H GLY 13 -5.641 6.345 0.339 107 1HA GLY 13 1HA GLY 13 -4.112 7.757 -0.790 108 2HA GLY 13 2HA GLY 13 -4.396 9.015 0.395 109 H ASP 14 H ASP 14 -4.390 6.743 2.566 110 HA ASP 14 HA ASP 14 -1.859 7.180 3.465 111 1HB ASP 14 1HB ASP 14 -3.638 6.313 4.903 112 2HB ASP 14 2HB ASP 14 -3.770 4.851 3.947 113 H LEU 15 H LEU 15 -0.199 5.244 3.900 114 HA LEU 15 HA LEU 15 -0.109 3.442 1.601 115 1HB LEU 15 1HB LEU 15 1.450 5.758 1.816 116 2HB LEU 15 2HB LEU 15 2.519 4.449 2.278 117 HG LEU 15 HG LEU 15 2.860 4.675 -0.014 118 1HD1 LEU 15 1HD1 LEU 15 2.753 2.476 -0.275 119 2HD1 LEU 15 2HD1 LEU 15 1.426 2.352 0.903 120 3HD1 LEU 15 3HD1 LEU 15 1.067 2.656 -0.814 121 1HD2 LEU 15 1HD2 LEU 15 1.276 5.165 -1.667 122 2HD2 LEU 15 2HD2 LEU 15 -0.089 4.656 -0.645 123 3HD2 LEU 15 3HD2 LEU 15 0.787 6.159 -0.274 124 H VAL 16 H VAL 16 0.402 1.378 2.171 125 HA VAL 16 HA VAL 16 1.955 0.926 4.561 126 HB VAL 16 HB VAL 16 -0.692 1.148 4.949 127 1HG1 VAL 16 1HG1 VAL 16 -0.804 -0.945 3.299 128 2HG1 VAL 16 2HG1 VAL 16 -0.508 -1.831 4.814 129 3HG1 VAL 16 3HG1 VAL 16 -1.924 -0.761 4.671 130 1HG2 VAL 16 1HG2 VAL 16 1.535 -0.193 6.295 131 2HG2 VAL 16 2HG2 VAL 16 0.259 0.857 6.959 132 3HG2 VAL 16 3HG2 VAL 16 -0.049 -0.880 6.729 133 H PHE 17 H PHE 17 1.998 -1.686 4.844 134 HA PHE 17 HA PHE 17 2.792 -2.606 2.209 135 1HB PHE 17 1HB PHE 17 3.522 -2.952 5.034 136 2HB PHE 17 2HB PHE 17 3.196 -4.528 4.336 137 HD1 PHE 17 1HD PHE 17 4.279 -4.673 1.795 138 HD2 PHE 17 2HD PHE 17 5.742 -2.374 5.049 139 HE1 PHE 17 1HE PHE 17 6.575 -4.700 0.782 140 HE2 PHE 17 2HE PHE 17 8.038 -2.401 4.035 141 HZ PHE 17 HZ PHE 17 8.427 -3.563 1.914 142 H ALA 18 H ALA 18 1.348 -3.715 0.984 143 HA ALA 18 HA ALA 18 -0.784 -5.150 2.376 144 1HB ALA 18 1HB ALA 18 -0.550 -4.673 -0.606 145 2HB ALA 18 2HB ALA 18 -2.013 -4.954 0.368 146 3HB ALA 18 3HB ALA 18 -1.146 -3.405 0.493 147 H LYS 19 H LYS 19 -1.166 -7.382 2.023 148 HA LYS 19 HA LYS 19 1.021 -8.759 0.627 149 1HB LYS 19 1HB LYS 19 0.711 -8.766 3.338 150 2HB LYS 19 2HB LYS 19 -0.248 -10.165 2.900 151 1HG LYS 19 1HG LYS 19 1.590 -11.387 2.309 152 2HG LYS 19 2HG LYS 19 2.294 -10.059 1.407 153 1HD LYS 19 1HD LYS 19 3.795 -9.794 3.086 154 2HD LYS 19 2HD LYS 19 2.483 -9.241 4.108 155 1HE LYS 19 1HE LYS 19 2.902 -12.219 3.754 156 2HE LYS 19 2HE LYS 19 3.971 -11.334 4.826 157 1HZ LYS 19 1HZ LYS 19 1.806 -10.424 5.782 158 2HZ LYS 19 2HZ LYS 19 1.085 -11.688 5.043 159 3HZ LYS 19 3HZ LYS 19 2.238 -11.952 6.169 160 H MET 20 H MET 20 0.435 -10.436 -0.743 161 HA MET 20 HA MET 20 -2.411 -11.052 -0.785 162 1HB MET 20 1HB MET 20 -1.729 -9.387 -2.601 163 2HB MET 20 2HB MET 20 -0.616 -10.586 -3.231 164 1HG MET 20 1HG MET 20 -2.287 -11.747 -4.274 165 2HG MET 20 2HG MET 20 -3.318 -11.705 -2.857 166 1HE MET 20 1HE MET 20 -4.459 -10.074 -6.504 167 2HE MET 20 2HE MET 20 -3.724 -11.567 -5.876 168 3HE MET 20 3HE MET 20 -5.363 -11.099 -5.365 169 H LYS 21 H LYS 21 -2.945 -13.184 -1.677 170 HA LYS 21 HA LYS 21 -1.221 -15.177 -0.847 171 1HB LYS 21 1HB LYS 21 -3.828 -15.050 -1.566 172 2HB LYS 21 2HB LYS 21 -3.172 -15.830 -2.991 173 1HG LYS 21 1HG LYS 21 -2.108 -16.927 -0.444 174 2HG LYS 21 2HG LYS 21 -3.841 -17.122 -0.620 175 1HD LYS 21 1HD LYS 21 -2.150 -17.785 -3.017 176 2HD LYS 21 2HD LYS 21 -2.058 -18.884 -1.656 177 1HE LYS 21 1HE LYS 21 -4.355 -19.458 -1.784 178 2HE LYS 21 2HE LYS 21 -4.778 -17.995 -2.651 179 1HZ LYS 21 1HZ LYS 21 -4.416 -20.317 -3.825 180 2HZ LYS 21 2HZ LYS 21 -4.168 -18.895 -4.590 181 3HZ LYS 21 3HZ LYS 21 -2.901 -19.726 -3.977 182 H GLY 22 H GLY 22 0.616 -16.021 -1.673 183 1HA GLY 22 1HA GLY 22 1.987 -16.853 -3.317 184 2HA GLY 22 2HA GLY 22 0.985 -16.122 -4.554 185 H TYR 23 H TYR 23 1.047 -13.498 -2.829 186 HA TYR 23 HA TYR 23 3.686 -12.645 -3.807 187 1HB TYR 23 1HB TYR 23 1.181 -11.806 -4.542 188 2HB TYR 23 2HB TYR 23 1.356 -10.819 -3.103 189 HD1 TYR 23 1HD TYR 23 3.701 -11.777 -5.883 190 HD2 TYR 23 2HD TYR 23 1.855 -8.627 -3.653 191 HE1 TYR 23 1HE TYR 23 5.012 -10.056 -7.216 192 HE2 TYR 23 2HE TYR 23 3.173 -6.916 -4.994 193 HH TYR 23 HH TYR 23 4.447 -6.596 -6.742 194 HA PRO 24 HA PRO 24 4.582 -11.797 0.363 195 1HB PRO 24 1HB PRO 24 7.007 -10.583 0.014 196 2HB PRO 24 2HB PRO 24 6.804 -12.323 0.064 197 1HG PRO 24 1HG PRO 24 7.293 -10.582 -2.274 198 2HG PRO 24 2HG PRO 24 7.509 -12.316 -2.131 199 1HD PRO 24 1HD PRO 24 5.353 -10.956 -3.447 200 2HD PRO 24 2HD PRO 24 5.508 -12.685 -3.203 201 H HIS 25 H HIS 25 5.408 -9.895 1.805 202 HA HIS 25 HA HIS 25 3.498 -7.954 1.630 203 1HB HIS 25 1HB HIS 25 5.793 -8.540 3.235 204 2HB HIS 25 2HB HIS 25 5.826 -6.832 2.850 205 HD1 HIS 25 1HD HIS 25 5.070 -8.360 5.670 206 HD2 HIS 25 2HD HIS 25 2.502 -6.340 3.040 207 HE1 HIS 25 1HE HIS 25 3.038 -7.663 7.049 208 H TRP 26 H TRP 26 3.092 -6.559 -0.006 209 HA TRP 26 HA TRP 26 5.435 -5.344 -1.310 210 1HB TRP 26 1HB TRP 26 3.490 -6.941 -2.478 211 2HB TRP 26 2HB TRP 26 2.962 -5.314 -2.855 212 HD1 TRP 26 HD TRP 26 4.684 -3.809 -4.402 213 HE1 TRP 26 1HE TRP 26 6.577 -4.422 -6.136 214 HE3 TRP 26 3HE TRP 26 5.244 -8.628 -2.882 215 HZ2 TRP 26 2HZ TRP 26 8.062 -6.801 -6.664 216 HZ3 TRP 26 3HZ TRP 26 6.938 -10.029 -4.060 217 HH2 TRP 26 HH TRP 26 8.319 -9.187 -5.891 218 HA PRO 27 HA PRO 27 3.678 -1.642 0.148 219 1HB PRO 27 1HB PRO 27 5.074 0.170 -1.350 220 2HB PRO 27 2HB PRO 27 5.718 -0.576 0.099 221 1HG PRO 27 1HG PRO 27 6.376 -1.146 -2.726 222 2HG PRO 27 2HG PRO 27 7.284 -1.553 -1.283 223 1HD PRO 27 1HD PRO 27 5.669 -3.329 -2.853 224 2HD PRO 27 2HD PRO 27 6.482 -3.707 -1.349 225 H ALA 28 H ALA 28 1.579 -1.243 -0.151 226 HA ALA 28 HA ALA 28 0.924 -0.352 -2.875 227 1HB ALA 28 1HB ALA 28 0.139 -2.698 -2.320 228 2HB ALA 28 2HB ALA 28 -0.876 -1.982 -1.043 229 3HB ALA 28 3HB ALA 28 -1.158 -1.557 -2.749 230 H ARG 29 H ARG 29 -0.957 1.147 -2.951 231 HA ARG 29 HA ARG 29 -0.895 2.789 -0.572 232 1HB ARG 29 1HB ARG 29 -0.352 3.903 -2.714 233 2HB ARG 29 2HB ARG 29 -1.860 3.358 -3.420 234 1HG ARG 29 1HG ARG 29 -2.557 4.694 -0.989 235 2HG ARG 29 2HG ARG 29 -1.360 5.705 -1.773 236 1HD ARG 29 1HD ARG 29 -3.353 4.652 -3.684 237 2HD ARG 29 2HD ARG 29 -4.096 5.593 -2.405 238 HE ARG 29 HE ARG 29 -2.992 7.533 -3.188 239 1HH1 ARG 29 2HH2 ARG 29 -1.777 4.678 -4.846 240 2HH1 ARG 29 1HH2 ARG 29 -0.923 5.582 -6.049 241 1HH2 ARG 29 2HH1 ARG 29 -1.865 8.729 -4.775 242 2HH2 ARG 29 1HH1 ARG 29 -0.972 7.903 -6.009 243 H ILE 30 H ILE 30 -2.816 3.368 0.565 244 HA ILE 30 HA ILE 30 -4.978 1.531 0.259 245 HB ILE 30 HB ILE 30 -3.875 2.894 2.336 246 1HG1 ILE 30 1HG1 ILE 30 -5.137 0.815 2.480 247 2HG1 ILE 30 2HG1 ILE 30 -5.693 1.967 3.677 248 1HG2 ILE 30 1HG2 ILE 30 -4.811 5.026 1.789 249 2HG2 ILE 30 2HG2 ILE 30 -6.435 4.328 1.591 250 3HG2 ILE 30 3HG2 ILE 30 -5.684 4.388 3.203 251 1HD1 ILE 30 1HD1 ILE 30 -7.117 0.856 1.312 252 2HD1 ILE 30 2HD1 ILE 30 -7.767 1.436 2.865 253 3HD1 ILE 30 3HD1 ILE 30 -7.357 2.599 1.583 254 H ASP 31 H ASP 31 -7.184 2.037 -0.256 255 HA ASP 31 HA ASP 31 -7.757 4.647 -1.225 256 1HB ASP 31 1HB ASP 31 -7.925 2.307 -3.177 257 2HB ASP 31 2HB ASP 31 -8.309 3.983 -3.522 258 H GLU 32 H GLU 32 -10.136 4.842 -1.672 259 HA GLU 32 HA GLU 32 -11.571 2.723 -0.313 260 1HB GLU 32 1HB GLU 32 -11.663 5.429 0.049 261 2HB GLU 32 2HB GLU 32 -12.972 5.244 -1.100 262 1HG GLU 32 1HG GLU 32 -13.393 3.129 0.702 263 2HG GLU 32 2HG GLU 32 -12.843 4.434 1.733 264 H MET 33 H MET 33 -13.778 2.105 -1.194 265 HA MET 33 HA MET 33 -13.481 1.463 -3.923 266 1HB MET 33 1HB MET 33 -15.123 0.705 -1.640 267 2HB MET 33 2HB MET 33 -16.189 1.035 -2.991 268 1HG MET 33 1HG MET 33 -13.773 -0.838 -3.110 269 2HG MET 33 2HG MET 33 -15.432 -1.366 -2.904 270 1HE MET 33 1HE MET 33 -13.038 -1.727 -5.590 271 2HE MET 33 2HE MET 33 -14.284 -2.781 -4.879 272 3HE MET 33 3HE MET 33 -14.402 -2.291 -6.585 273 HA PRO 34 HA PRO 34 -15.479 5.136 -5.296 274 1HB PRO 34 1HB PRO 34 -14.897 4.856 -7.951 275 2HB PRO 34 2HB PRO 34 -13.810 5.617 -6.807 276 1HG PRO 34 1HG PRO 34 -13.626 2.933 -8.033 277 2HG PRO 34 2HG PRO 34 -12.371 3.868 -7.243 278 1HD PRO 34 1HD PRO 34 -13.798 1.634 -6.146 279 2HD PRO 34 2HD PRO 34 -12.627 2.640 -5.317 280 H GLU 35 H GLU 35 -17.137 5.773 -7.037 281 HA GLU 35 HA GLU 35 -18.729 3.455 -7.689 282 1HB GLU 35 1HB GLU 35 -20.808 4.634 -6.815 283 2HB GLU 35 2HB GLU 35 -19.717 4.035 -5.581 284 1HG GLU 35 1HG GLU 35 -18.746 6.282 -5.279 285 2HG GLU 35 2HG GLU 35 -19.692 6.908 -6.614 286 H ALA 36 H ALA 36 -17.068 5.164 -9.310 287 HA ALA 36 HA ALA 36 -19.073 6.774 -10.726 288 1HB ALA 36 1HB ALA 36 -16.450 7.244 -11.722 289 2HB ALA 36 2HB ALA 36 -17.456 8.332 -10.737 290 3HB ALA 36 3HB ALA 36 -16.328 7.208 -9.946 291 H ALA 37 H ALA 37 -16.085 4.845 -11.503 292 HA ALA 37 HA ALA 37 -16.845 4.304 -14.119 293 1HB ALA 37 1HB ALA 37 -15.053 2.649 -14.046 294 2HB ALA 37 2HB ALA 37 -14.553 4.098 -13.142 295 3HB ALA 37 3HB ALA 37 -15.088 2.644 -12.266 296 H VAL 38 H VAL 38 -17.365 2.467 -11.050 297 HA VAL 38 HA VAL 38 -19.570 1.107 -12.374 298 HB VAL 38 HB VAL 38 -18.832 -1.067 -11.526 299 1HG1 VAL 38 1HG1 VAL 38 -18.302 -0.302 -13.852 300 2HG1 VAL 38 2HG1 VAL 38 -16.693 0.193 -13.271 301 3HG1 VAL 38 3HG1 VAL 38 -17.172 -1.520 -13.212 302 1HG2 VAL 38 1HG2 VAL 38 -16.326 -1.228 -10.917 303 2HG2 VAL 38 2HG2 VAL 38 -16.439 0.517 -10.585 304 3HG2 VAL 38 3HG2 VAL 38 -17.456 -0.630 -9.679 305 H LYS 39 H LYS 39 -20.661 -0.371 -10.502 306 HA LYS 39 HA LYS 39 -20.878 1.447 -8.212 307 1HB LYS 39 1HB LYS 39 -22.886 -0.472 -9.426 308 2HB LYS 39 2HB LYS 39 -23.141 0.406 -7.931 309 1HG LYS 39 1HG LYS 39 -23.635 2.337 -9.034 310 2HG LYS 39 2HG LYS 39 -22.217 2.208 -10.056 311 1HD LYS 39 1HD LYS 39 -24.158 0.171 -10.819 312 2HD LYS 39 2HD LYS 39 -24.937 1.740 -10.788 313 1HE LYS 39 1HE LYS 39 -23.343 2.675 -12.351 314 2HE LYS 39 2HE LYS 39 -22.260 1.310 -12.178 315 1HZ LYS 39 1HZ LYS 39 -24.423 0.069 -12.976 316 2HZ LYS 39 2HZ LYS 39 -24.703 1.510 -13.691 317 3HZ LYS 39 3HZ LYS 39 -23.333 0.685 -14.026 318 H SER 40 H SER 40 -20.317 0.748 -6.201 319 HA SER 40 HA SER 40 -20.056 -2.122 -5.862 320 1HB SER 40 1HB SER 40 -17.863 -0.297 -6.074 321 2HB SER 40 2HB SER 40 -17.961 -0.762 -4.389 322 HG SER 40 HG SER 40 -17.762 -2.957 -4.955 323 H THR 41 H THR 41 -19.588 -2.548 -3.341 324 HA THR 41 HA THR 41 -21.314 -0.685 -1.844 325 HB THR 41 HB THR 41 -22.023 -2.731 -0.581 326 HG1 THR 41 1HG THR 41 -20.886 -4.609 -1.031 327 1HG2 THR 41 1HG2 THR 41 -23.124 -2.097 -2.880 328 2HG2 THR 41 2HG2 THR 41 -22.163 -3.441 -3.540 329 3HG2 THR 41 3HG2 THR 41 -23.372 -3.752 -2.273 330 H ALA 42 H ALA 42 -20.931 -1.151 0.678 331 HA ALA 42 HA ALA 42 -18.049 -0.733 1.007 332 1HB ALA 42 1HB ALA 42 -18.569 0.779 2.651 333 2HB ALA 42 2HB ALA 42 -20.090 0.880 1.730 334 3HB ALA 42 3HB ALA 42 -19.999 -0.135 3.189 335 H ASN 43 H ASN 43 -16.821 -2.161 2.167 336 HA ASN 43 HA ASN 43 -17.648 -3.620 4.284 337 1HB ASN 43 1HB ASN 43 -17.813 -5.958 3.210 338 2HB ASN 43 2HB ASN 43 -19.201 -4.917 2.965 339 1HD2 ASN 43 1HD2 ASN 43 -19.690 -4.121 0.973 340 2HD2 ASN 43 2HD2 ASN 43 -18.922 -4.621 -0.495 341 H LYS 44 H LYS 44 -15.794 -3.448 1.229 342 HA LYS 44 HA LYS 44 -13.471 -4.539 2.660 343 1HB LYS 44 1HB LYS 44 -12.675 -5.386 0.475 344 2HB LYS 44 2HB LYS 44 -14.158 -6.150 1.009 345 1HG LYS 44 1HG LYS 44 -15.210 -5.493 -0.886 346 2HG LYS 44 2HG LYS 44 -14.894 -3.811 -0.504 347 1HD LYS 44 1HD LYS 44 -12.488 -5.204 -1.502 348 2HD LYS 44 2HD LYS 44 -13.807 -5.250 -2.654 349 1HE LYS 44 1HE LYS 44 -14.065 -2.733 -2.362 350 2HE LYS 44 2HE LYS 44 -12.635 -2.747 -1.352 351 1HZ LYS 44 1HZ LYS 44 -12.721 -3.694 -4.133 352 2HZ LYS 44 2HZ LYS 44 -12.132 -2.248 -3.650 353 3HZ LYS 44 3HZ LYS 44 -11.391 -3.627 -3.188 354 H TYR 45 H TYR 45 -11.346 -3.740 1.500 355 HA TYR 45 HA TYR 45 -11.729 -0.869 0.977 356 1HB TYR 45 1HB TYR 45 -10.197 -2.434 2.883 357 2HB TYR 45 2HB TYR 45 -9.036 -1.748 1.764 358 HD1 TYR 45 1HD TYR 45 -9.576 -1.181 4.822 359 HD2 TYR 45 2HD TYR 45 -10.607 0.853 1.202 360 HE1 TYR 45 1HE TYR 45 -9.664 1.026 6.079 361 HE2 TYR 45 2HE TYR 45 -10.692 3.054 2.470 362 HH TYR 45 HH TYR 45 -10.934 3.261 5.702 363 H GLN 46 H GLN 46 -10.615 0.086 -0.749 364 HA GLN 46 HA GLN 46 -9.658 -1.833 -2.672 365 1HB GLN 46 1HB GLN 46 -11.257 -0.187 -3.476 366 2HB GLN 46 2HB GLN 46 -10.298 1.139 -2.850 367 1HG GLN 46 1HG GLN 46 -8.405 0.375 -4.405 368 2HG GLN 46 2HG GLN 46 -9.543 -0.747 -5.126 369 1HE2 GLN 46 1HE2 GLN 46 -8.332 2.396 -5.085 370 2HE2 GLN 46 2HE2 GLN 46 -9.462 3.169 -6.147 371 H VAL 47 H VAL 47 -7.518 -2.350 -2.737 372 HA VAL 47 HA VAL 47 -5.635 -0.312 -1.781 373 HB VAL 47 HB VAL 47 -5.677 -3.310 -1.748 374 1HG1 VAL 47 1HG1 VAL 47 -3.545 -3.200 -2.581 375 2HG1 VAL 47 2HG1 VAL 47 -3.274 -1.546 -1.983 376 3HG1 VAL 47 3HG1 VAL 47 -3.198 -2.923 -0.858 377 1HG2 VAL 47 1HG2 VAL 47 -5.680 -1.097 0.199 378 2HG2 VAL 47 2HG2 VAL 47 -6.298 -2.759 0.346 379 3HG2 VAL 47 3HG2 VAL 47 -4.567 -2.427 0.599 380 H PHE 48 H PHE 48 -3.703 0.096 -3.011 381 HA PHE 48 HA PHE 48 -3.909 -0.846 -5.785 382 1HB PHE 48 1HB PHE 48 -4.353 1.719 -4.861 383 2HB PHE 48 2HB PHE 48 -2.610 1.785 -5.040 384 HD1 PHE 48 1HD PHE 48 -4.428 3.530 -6.575 385 HD2 PHE 48 2HD PHE 48 -2.948 -0.344 -7.473 386 HE1 PHE 48 1HE PHE 48 -4.696 3.995 -9.027 387 HE2 PHE 48 2HE PHE 48 -3.217 0.121 -9.925 388 HZ PHE 48 HZ PHE 48 -4.088 2.286 -10.672 389 H PHE 49 H PHE 49 -2.309 -2.398 -5.874 390 HA PHE 49 HA PHE 49 0.086 -2.158 -4.389 391 1HB PHE 49 1HB PHE 49 -1.104 -3.873 -6.606 392 2HB PHE 49 2HB PHE 49 0.614 -4.028 -6.299 393 HD1 PHE 49 1HD PHE 49 -1.798 -3.327 -3.614 394 HD2 PHE 49 2HD PHE 49 0.488 -6.313 -5.578 395 HE1 PHE 49 1HE PHE 49 -2.277 -4.926 -1.740 396 HE2 PHE 49 2HE PHE 49 0.009 -7.914 -3.705 397 HZ PHE 49 HZ PHE 49 -1.367 -7.200 -1.808 398 H PHE 50 H PHE 50 1.940 -1.073 -4.864 399 HA PHE 50 HA PHE 50 2.066 0.435 -7.273 400 1HB PHE 50 1HB PHE 50 3.718 -0.105 -4.777 401 2HB PHE 50 2HB PHE 50 4.536 0.654 -6.127 402 HD1 PHE 50 1HD PHE 50 3.493 2.812 -7.069 403 HD2 PHE 50 2HD PHE 50 2.457 1.182 -3.290 404 HE1 PHE 50 1HE PHE 50 2.611 5.049 -6.347 405 HE2 PHE 50 2HE PHE 50 1.575 3.419 -2.568 406 HZ PHE 50 HZ PHE 50 1.661 5.324 -4.104 407 H GLY 51 H GLY 51 3.792 -2.445 -5.926 408 1HA GLY 51 1HA GLY 51 5.786 -2.790 -7.749 409 2HA GLY 51 2HA GLY 51 4.905 -4.097 -6.983 410 H THR 52 H THR 52 2.424 -4.171 -8.023 411 HA THR 52 HA THR 52 2.944 -4.801 -10.807 412 HB THR 52 HB THR 52 0.757 -5.965 -10.595 413 HG1 THR 52 1HG THR 52 -0.321 -5.654 -8.486 414 1HG2 THR 52 1HG2 THR 52 1.639 -7.666 -9.342 415 2HG2 THR 52 2HG2 THR 52 3.037 -6.603 -9.048 416 3HG2 THR 52 3HG2 THR 52 1.688 -6.643 -7.886 417 H HIS 53 H HIS 53 1.351 -2.326 -8.861 418 HA HIS 53 HA HIS 53 0.531 -0.372 -9.462 419 1HB HIS 53 1HB HIS 53 2.319 -0.610 -11.337 420 2HB HIS 53 2HB HIS 53 0.956 -0.950 -12.388 421 HD1 HIS 53 1HD HIS 53 0.266 1.095 -13.624 422 HD2 HIS 53 2HD HIS 53 1.567 1.985 -9.737 423 HE1 HIS 53 1HE HIS 53 0.039 3.622 -13.356 424 H GLU 54 H GLU 54 -1.091 -2.668 -9.009 425 HA GLU 54 HA GLU 54 -3.333 -1.944 -10.720 426 1HB GLU 54 1HB GLU 54 -2.385 -4.733 -9.971 427 2HB GLU 54 2HB GLU 54 -4.042 -4.434 -10.453 428 1HG GLU 54 1HG GLU 54 -2.004 -3.218 -12.254 429 2HG GLU 54 2HG GLU 54 -1.967 -4.969 -12.201 430 H THR 55 H THR 55 -5.481 -2.301 -9.686 431 HA THR 55 HA THR 55 -5.259 -1.898 -6.799 432 HB THR 55 HB THR 55 -7.271 -1.242 -8.979 433 HG1 THR 55 1HG THR 55 -5.596 0.279 -8.358 434 1HG2 THR 55 1HG2 THR 55 -7.750 -1.530 -5.994 435 2HG2 THR 55 2HG2 THR 55 -8.541 -0.209 -6.887 436 3HG2 THR 55 3HG2 THR 55 -8.853 -1.902 -7.340 437 H ALA 56 H ALA 56 -5.386 -3.622 -5.514 438 HA ALA 56 HA ALA 56 -7.162 -5.789 -6.403 439 1HB ALA 56 1HB ALA 56 -5.673 -7.171 -4.832 440 2HB ALA 56 2HB ALA 56 -4.928 -6.612 -6.350 441 3HB ALA 56 3HB ALA 56 -4.572 -5.772 -4.822 442 H PHE 57 H PHE 57 -8.776 -6.491 -5.010 443 HA PHE 57 HA PHE 57 -9.546 -4.687 -2.982 444 1HB PHE 57 1HB PHE 57 -11.399 -6.308 -2.755 445 2HB PHE 57 2HB PHE 57 -11.016 -6.171 -4.460 446 HD1 PHE 57 1HD PHE 57 -9.820 -7.991 -5.615 447 HD2 PHE 57 2HD PHE 57 -11.017 -8.359 -1.561 448 HE1 PHE 57 1HE PHE 57 -9.491 -10.477 -5.743 449 HE2 PHE 57 2HE PHE 57 -10.689 -10.843 -1.688 450 HZ PHE 57 HZ PHE 57 -9.930 -11.872 -3.779 451 H LEU 58 H LEU 58 -8.468 -4.503 -1.066 452 HA LEU 58 HA LEU 58 -7.910 -7.010 0.343 453 1HB LEU 58 1HB LEU 58 -6.029 -4.689 -0.071 454 2HB LEU 58 2HB LEU 58 -5.820 -5.870 1.206 455 HG LEU 58 HG LEU 58 -5.776 -6.405 -1.775 456 1HD1 LEU 58 1HD1 LEU 58 -3.785 -5.299 -0.462 457 2HD1 LEU 58 2HD1 LEU 58 -3.500 -6.968 0.085 458 3HD1 LEU 58 3HD1 LEU 58 -3.492 -6.589 -1.653 459 1HD2 LEU 58 1HD2 LEU 58 -5.153 -8.730 -1.146 460 2HD2 LEU 58 2HD2 LEU 58 -5.568 -8.344 0.542 461 3HD2 LEU 58 3HD2 LEU 58 -6.825 -8.291 -0.718 462 H GLY 59 H GLY 59 -7.245 -6.276 2.777 463 1HA GLY 59 1HA GLY 59 -9.157 -4.175 3.590 464 2HA GLY 59 2HA GLY 59 -9.150 -5.754 4.348 465 HA PRO 60 HA PRO 60 -6.250 -3.237 6.731 466 1HB PRO 60 1HB PRO 60 -7.253 -3.804 9.208 467 2HB PRO 60 2HB PRO 60 -7.735 -2.399 8.280 468 1HG PRO 60 1HG PRO 60 -9.230 -4.902 8.762 469 2HG PRO 60 2HG PRO 60 -9.834 -3.351 8.215 470 1HD PRO 60 1HD PRO 60 -9.384 -5.682 6.605 471 2HD PRO 60 2HD PRO 60 -9.877 -4.098 6.040 472 H LYS 61 H LYS 61 -7.446 -6.436 7.581 473 HA LYS 61 HA LYS 61 -5.194 -7.230 8.986 474 1HB LYS 61 1HB LYS 61 -6.016 -9.571 8.226 475 2HB LYS 61 2HB LYS 61 -7.036 -8.596 9.264 476 1HG LYS 61 1HG LYS 61 -8.664 -8.427 7.679 477 2HG LYS 61 2HG LYS 61 -7.516 -7.967 6.438 478 1HD LYS 61 1HD LYS 61 -8.137 -10.012 5.559 479 2HD LYS 61 2HD LYS 61 -6.845 -10.576 6.600 480 1HE LYS 61 1HE LYS 61 -8.472 -11.993 7.401 481 2HE LYS 61 2HE LYS 61 -8.887 -10.618 8.405 482 1HZ LYS 61 1HZ LYS 61 -10.195 -10.123 6.111 483 2HZ LYS 61 2HZ LYS 61 -10.325 -11.747 6.232 484 3HZ LYS 61 3HZ LYS 61 -10.858 -10.793 7.445 485 H ASP 62 H ASP 62 -5.978 -7.457 5.462 486 HA ASP 62 HA ASP 62 -3.680 -8.835 4.786 487 1HB ASP 62 1HB ASP 62 -5.709 -7.139 3.372 488 2HB ASP 62 2HB ASP 62 -4.192 -7.374 2.527 489 H LEU 63 H LEU 63 -4.267 -5.529 5.759 490 HA LEU 63 HA LEU 63 -1.762 -4.618 4.559 491 1HB LEU 63 1HB LEU 63 -4.200 -3.246 5.641 492 2HB LEU 63 2HB LEU 63 -2.678 -2.386 5.534 493 HG LEU 63 HG LEU 63 -4.291 -3.575 3.270 494 1HD1 LEU 63 1HD1 LEU 63 -5.039 -1.515 2.893 495 2HD1 LEU 63 2HD1 LEU 63 -4.380 -1.081 4.489 496 3HD1 LEU 63 3HD1 LEU 63 -3.409 -0.813 3.022 497 1HD2 LEU 63 1HD2 LEU 63 -1.408 -3.060 3.416 498 2HD2 LEU 63 2HD2 LEU 63 -2.355 -3.999 2.238 499 3HD2 LEU 63 3HD2 LEU 63 -2.219 -2.234 2.064 500 H PHE 64 H PHE 64 -0.050 -3.791 5.831 501 HA PHE 64 HA PHE 64 -0.361 -4.136 8.715 502 1HB PHE 64 1HB PHE 64 1.241 -5.687 6.764 503 2HB PHE 64 2HB PHE 64 2.281 -4.945 7.963 504 HD1 PHE 64 1HD PHE 64 -0.755 -7.073 7.649 505 HD2 PHE 64 2HD PHE 64 2.562 -5.951 10.047 506 HE1 PHE 64 1HE PHE 64 -1.296 -8.918 9.261 507 HE2 PHE 64 2HE PHE 64 2.020 -7.796 11.660 508 HZ PHE 64 HZ PHE 64 0.097 -9.258 11.248 509 HA PRO 65 HA PRO 65 1.840 -0.398 8.700 510 1HB PRO 65 1HB PRO 65 2.503 -0.226 11.345 511 2HB PRO 65 2HB PRO 65 0.929 0.222 10.722 512 1HG PRO 65 1HG PRO 65 1.700 -2.194 12.240 513 2HG PRO 65 2HG PRO 65 0.101 -1.523 11.981 514 1HD PRO 65 1HD PRO 65 1.240 -3.804 10.665 515 2HD PRO 65 2HD PRO 65 -0.312 -3.062 10.324 516 H TYR 66 H TYR 66 3.951 0.683 9.219 517 HA TYR 66 HA TYR 66 5.986 -1.213 8.468 518 1HB TYR 66 1HB TYR 66 6.020 0.980 7.423 519 2HB TYR 66 2HB TYR 66 5.635 1.790 8.929 520 HD1 TYR 66 1HD TYR 66 8.266 0.720 6.721 521 HD2 TYR 66 2HD TYR 66 7.434 1.886 10.752 522 HE1 TYR 66 1HE TYR 66 10.732 1.212 7.095 523 HE2 TYR 66 2HE TYR 66 9.903 2.373 11.113 524 HH TYR 66 HH TYR 66 12.221 1.220 9.486 525 H GLU 67 H GLU 67 5.020 0.712 11.336 526 HA GLU 67 HA GLU 67 7.318 0.513 12.779 527 1HB GLU 67 1HB GLU 67 4.573 1.211 13.246 528 2HB GLU 67 2HB GLU 67 5.063 0.147 14.549 529 1HG GLU 67 1HG GLU 67 7.064 2.239 13.813 530 2HG GLU 67 2HG GLU 67 5.568 2.853 14.491 531 H GLU 68 H GLU 68 4.537 -1.815 12.644 532 HA GLU 68 HA GLU 68 5.660 -3.601 14.451 533 1HB GLU 68 1HB GLU 68 3.513 -3.787 12.328 534 2HB GLU 68 2HB GLU 68 4.033 -5.241 13.155 535 1HG GLU 68 1HG GLU 68 3.497 -2.918 14.949 536 2HG GLU 68 2HG GLU 68 2.090 -3.518 14.096 537 H SER 69 H SER 69 5.701 -3.454 10.833 538 HA SER 69 HA SER 69 7.055 -5.825 10.461 539 1HB SER 69 1HB SER 69 6.993 -5.239 8.252 540 2HB SER 69 2HB SER 69 5.941 -3.959 8.822 541 HG SER 69 HG SER 69 7.571 -2.465 8.663 542 H LYS 70 H LYS 70 8.261 -2.418 10.784 543 HA LYS 70 HA LYS 70 10.983 -3.173 10.548 544 1HB LYS 70 1HB LYS 70 11.433 -0.931 10.689 545 2HB LYS 70 2HB LYS 70 9.768 -0.880 10.142 546 1HG LYS 70 1HG LYS 70 9.410 0.477 11.942 547 2HG LYS 70 2HG LYS 70 9.414 -1.003 12.882 548 1HD LYS 70 1HD LYS 70 11.622 -0.686 13.639 549 2HD LYS 70 2HD LYS 70 12.066 0.306 12.266 550 1HE LYS 70 1HE LYS 70 10.078 1.857 13.385 551 2HE LYS 70 2HE LYS 70 10.734 1.091 14.818 552 1HZ LYS 70 1HZ LYS 70 11.885 3.125 14.254 553 2HZ LYS 70 2HZ LYS 70 12.905 1.851 14.187 554 3HZ LYS 70 3HZ LYS 70 12.336 2.515 12.808 555 H GLU 71 H GLU 71 8.667 -3.715 12.958 556 HA GLU 71 HA GLU 71 10.363 -3.283 15.185 557 1HB GLU 71 1HB GLU 71 7.610 -3.765 14.757 558 2HB GLU 71 2HB GLU 71 8.166 -5.161 15.659 559 1HG GLU 71 1HG GLU 71 9.434 -3.048 16.978 560 2HG GLU 71 2HG GLU 71 7.893 -2.344 16.532 561 H LYS 72 H LYS 72 9.253 -6.142 13.270 562 HA LYS 72 HA LYS 72 11.257 -7.739 14.696 563 1HB LYS 72 1HB LYS 72 9.833 -9.603 13.424 564 2HB LYS 72 2HB LYS 72 9.382 -8.976 14.996 565 1HG LYS 72 1HG LYS 72 7.648 -7.642 14.129 566 2HG LYS 72 2HG LYS 72 8.381 -7.528 12.541 567 1HD LYS 72 1HD LYS 72 7.305 -10.155 13.655 568 2HD LYS 72 2HD LYS 72 6.304 -9.045 12.743 569 1HE LYS 72 1HE LYS 72 8.086 -9.154 10.881 570 2HE LYS 72 2HE LYS 72 8.819 -10.472 11.775 571 1HZ LYS 72 1HZ LYS 72 7.207 -11.842 11.156 572 2HZ LYS 72 2HZ LYS 72 6.006 -10.766 11.409 573 3HZ LYS 72 3HZ LYS 72 6.841 -10.742 10.007 574 H PHE 73 H PHE 73 9.759 -7.663 11.382 575 HA PHE 73 HA PHE 73 12.488 -7.665 10.321 576 1HB PHE 73 1HB PHE 73 10.121 -9.524 9.901 577 2HB PHE 73 2HB PHE 73 11.123 -9.185 8.503 578 HD1 PHE 73 1HD PHE 73 12.870 -10.623 8.078 579 HD2 PHE 73 2HD PHE 73 11.538 -10.180 12.082 580 HE1 PHE 73 1HE PHE 73 14.496 -12.388 8.815 581 HE2 PHE 73 2HE PHE 73 13.163 -11.945 12.820 582 HZ PHE 73 HZ PHE 73 14.622 -13.028 11.177 583 H GLY 74 H GLY 74 9.273 -7.965 8.711 584 1HA GLY 74 1HA GLY 74 8.158 -6.575 7.334 585 2HA GLY 74 2HA GLY 74 9.008 -5.225 8.060 586 H LYS 75 H LYS 75 10.808 -7.944 6.632 587 HA LYS 75 HA LYS 75 11.488 -6.183 4.378 588 1HB LYS 75 1HB LYS 75 13.750 -7.050 4.460 589 2HB LYS 75 2HB LYS 75 13.324 -6.338 6.002 590 1HG LYS 75 1HG LYS 75 12.512 -9.022 6.267 591 2HG LYS 75 2HG LYS 75 14.010 -9.131 5.363 592 1HD LYS 75 1HD LYS 75 14.663 -7.250 7.301 593 2HD LYS 75 2HD LYS 75 13.557 -8.290 8.177 594 1HE LYS 75 1HE LYS 75 15.227 -9.799 8.442 595 2HE LYS 75 2HE LYS 75 15.251 -10.050 6.708 596 1HZ LYS 75 1HZ LYS 75 16.909 -8.274 8.306 597 2HZ LYS 75 2HZ LYS 75 17.351 -9.321 7.134 598 3HZ LYS 75 3HZ LYS 75 16.642 -7.904 6.738 599 HA PRO 76 HA PRO 76 9.666 -9.811 2.550 600 1HB PRO 76 1HB PRO 76 8.479 -8.532 0.447 601 2HB PRO 76 2HB PRO 76 7.673 -8.810 1.979 602 1HG PRO 76 1HG PRO 76 8.806 -6.297 0.910 603 2HG PRO 76 2HG PRO 76 7.646 -6.515 2.206 604 1HD PRO 76 1HD PRO 76 10.437 -5.910 2.482 605 2HD PRO 76 2HD PRO 76 9.304 -6.242 3.777 606 H ASN 77 H ASN 77 9.712 -10.712 0.201 607 HA ASN 77 HA ASN 77 12.300 -11.085 -0.412 608 1HB ASN 77 1HB ASN 77 9.766 -11.157 -2.090 609 2HB ASN 77 2HB ASN 77 11.308 -11.477 -2.858 610 1HD2 ASN 77 1HD2 ASN 77 8.966 -12.529 -0.507 611 2HD2 ASN 77 2HD2 ASN 77 9.549 -14.144 -0.274 612 H LYS 78 H LYS 78 13.279 -10.412 -2.755 613 HA LYS 78 HA LYS 78 12.729 -7.567 -3.205 614 1HB LYS 78 1HB LYS 78 15.071 -7.067 -3.312 615 2HB LYS 78 2HB LYS 78 14.739 -7.834 -1.773 616 1HG LYS 78 1HG LYS 78 16.351 -9.355 -2.250 617 2HG LYS 78 2HG LYS 78 15.317 -9.986 -3.516 618 1HD LYS 78 1HD LYS 78 16.378 -8.711 -5.210 619 2HD LYS 78 2HD LYS 78 17.006 -7.534 -4.073 620 1HE LYS 78 1HE LYS 78 18.965 -8.685 -4.099 621 2HE LYS 78 2HE LYS 78 18.153 -9.958 -3.212 622 1HZ LYS 78 1HZ LYS 78 17.999 -11.206 -5.038 623 2HZ LYS 78 2HZ LYS 78 17.676 -9.959 -6.042 624 3HZ LYS 78 3HZ LYS 78 19.218 -10.279 -5.607 625 H ARG 79 H ARG 79 11.476 -8.019 -5.050 626 HA ARG 79 HA ARG 79 12.848 -9.537 -7.100 627 1HB ARG 79 1HB ARG 79 9.939 -8.627 -6.843 628 2HB ARG 79 2HB ARG 79 10.562 -9.471 -8.246 629 1HG ARG 79 1HG ARG 79 10.875 -10.623 -5.447 630 2HG ARG 79 2HG ARG 79 9.415 -10.887 -6.380 631 1HD ARG 79 1HD ARG 79 10.424 -12.507 -7.613 632 2HD ARG 79 2HD ARG 79 11.717 -11.418 -8.074 633 HE ARG 79 HE ARG 79 12.326 -12.111 -5.442 634 1HH1 ARG 79 2HH2 ARG 79 11.755 -13.898 -8.419 635 2HH1 ARG 79 1HH2 ARG 79 12.789 -15.216 -7.975 636 1HH2 ARG 79 2HH1 ARG 79 13.688 -13.850 -4.857 637 2HH2 ARG 79 1HH1 ARG 79 13.896 -15.188 -5.935 638 H LYS 80 H LYS 80 11.826 -8.542 -9.454 639 HA LYS 80 HA LYS 80 13.234 -6.100 -9.721 640 1HB LYS 80 1HB LYS 80 13.144 -7.835 -11.471 641 2HB LYS 80 2HB LYS 80 11.424 -7.561 -11.668 642 1HG LYS 80 1HG LYS 80 12.164 -5.023 -12.015 643 2HG LYS 80 2HG LYS 80 13.726 -5.730 -12.379 644 1HD LYS 80 1HD LYS 80 11.396 -7.034 -13.724 645 2HD LYS 80 2HD LYS 80 11.725 -5.390 -14.232 646 1HE LYS 80 1HE LYS 80 14.057 -7.297 -14.025 647 2HE LYS 80 2HE LYS 80 12.958 -7.487 -15.376 648 1HZ LYS 80 1HZ LYS 80 14.976 -5.757 -15.305 649 2HZ LYS 80 2HZ LYS 80 13.681 -5.611 -16.289 650 3HZ LYS 80 3HZ LYS 80 13.737 -4.783 -14.881 651 H GLY 81 H GLY 81 9.721 -6.985 -10.009 652 1HA GLY 81 1HA GLY 81 8.841 -4.313 -10.291 653 2HA GLY 81 2HA GLY 81 7.870 -5.712 -9.877 654 H PHE 82 H PHE 82 10.244 -5.918 -7.616 655 HA PHE 82 HA PHE 82 8.574 -4.688 -5.624 656 1HB PHE 82 1HB PHE 82 9.739 -6.946 -5.422 657 2HB PHE 82 2HB PHE 82 11.288 -6.139 -5.553 658 HD1 PHE 82 1HD PHE 82 11.682 -4.226 -3.757 659 HD2 PHE 82 2HD PHE 82 8.931 -7.427 -3.314 660 HE1 PHE 82 1HE PHE 82 11.739 -3.930 -1.265 661 HE2 PHE 82 2HE PHE 82 8.988 -7.131 -0.822 662 HZ PHE 82 HZ PHE 82 10.391 -5.387 0.173 663 H SER 83 H SER 83 11.958 -4.337 -6.878 664 HA SER 83 HA SER 83 12.626 -2.284 -5.135 665 1HB SER 83 1HB SER 83 13.863 -3.752 -7.229 666 2HB SER 83 2HB SER 83 13.999 -2.071 -7.702 667 HG SER 83 HG SER 83 14.934 -1.619 -5.582 668 H GLU 84 H GLU 84 11.566 -2.235 -8.617 669 HA GLU 84 HA GLU 84 11.543 0.532 -8.801 670 1HB GLU 84 1HB GLU 84 10.685 0.200 -10.942 671 2HB GLU 84 2HB GLU 84 11.415 -1.363 -10.633 672 1HG GLU 84 1HG GLU 84 9.190 -2.237 -9.861 673 2HG GLU 84 2HG GLU 84 8.467 -0.678 -10.204 674 H GLY 85 H GLY 85 9.214 -1.819 -7.520 675 1HA GLY 85 1HA GLY 85 6.900 -0.210 -7.598 676 2HA GLY 85 2HA GLY 85 7.194 -1.590 -6.557 677 H LEU 86 H LEU 86 9.080 -1.027 -4.795 678 HA LEU 86 HA LEU 86 7.925 0.772 -3.043 679 1HB LEU 86 1HB LEU 86 9.202 -0.727 -1.952 680 2HB LEU 86 2HB LEU 86 10.417 -0.797 -3.212 681 HG LEU 86 HG LEU 86 11.283 0.095 -1.084 682 1HD1 LEU 86 1HD1 LEU 86 12.782 1.235 -2.258 683 2HD1 LEU 86 2HD1 LEU 86 11.701 1.094 -3.666 684 3HD1 LEU 86 3HD1 LEU 86 11.612 2.528 -2.616 685 1HD2 LEU 86 1HD2 LEU 86 10.109 1.517 0.141 686 2HD2 LEU 86 2HD2 LEU 86 10.281 2.753 -1.129 687 3HD2 LEU 86 3HD2 LEU 86 8.886 1.648 -1.147 688 H TRP 87 H TRP 87 10.186 1.252 -5.713 689 HA TRP 87 HA TRP 87 10.929 3.886 -4.797 690 1HB TRP 87 1HB TRP 87 11.982 1.954 -6.580 691 2HB TRP 87 2HB TRP 87 11.603 3.372 -7.537 692 HD1 TRP 87 HD TRP 87 12.994 5.662 -6.919 693 HE1 TRP 87 1HE TRP 87 15.291 6.138 -5.713 694 HE3 TRP 87 3HE TRP 87 13.393 1.090 -4.731 695 HZ2 TRP 87 2HZ TRP 87 16.980 4.584 -4.017 696 HZ3 TRP 87 3HZ TRP 87 15.397 0.652 -3.314 697 HH2 TRP 87 HH TRP 87 17.153 2.309 -2.942 698 H GLU 88 H GLU 88 8.457 2.274 -6.710 699 HA GLU 88 HA GLU 88 7.802 4.494 -8.302 700 1HB GLU 88 1HB GLU 88 6.740 1.781 -7.778 701 2HB GLU 88 2HB GLU 88 5.492 2.951 -8.163 702 1HG GLU 88 1HG GLU 88 8.004 2.805 -9.858 703 2HG GLU 88 2HG GLU 88 6.707 1.658 -10.118 704 H ILE 89 H ILE 89 7.180 3.587 -4.981 705 HA ILE 89 HA ILE 89 4.981 5.507 -4.817 706 HB ILE 89 HB ILE 89 4.300 3.535 -3.845 707 1HG1 ILE 89 1HG1 ILE 89 4.303 5.674 -2.329 708 2HG1 ILE 89 2HG1 ILE 89 3.799 4.123 -1.685 709 1HG2 ILE 89 1HG2 ILE 89 7.103 3.262 -2.748 710 2HG2 ILE 89 2HG2 ILE 89 5.743 2.248 -2.208 711 3HG2 ILE 89 3HG2 ILE 89 6.259 2.212 -3.910 712 1HD1 ILE 89 1HD1 ILE 89 5.692 3.884 -0.369 713 2HD1 ILE 89 2HD1 ILE 89 6.728 4.773 -1.512 714 3HD1 ILE 89 3HD1 ILE 89 5.622 5.661 -0.435 715 H GLU 90 H GLU 90 8.222 4.691 -3.449 716 HA GLU 90 HA GLU 90 8.240 7.016 -1.844 717 1HB GLU 90 1HB GLU 90 10.182 4.827 -2.534 718 2HB GLU 90 2HB GLU 90 10.841 6.310 -1.872 719 1HG GLU 90 1HG GLU 90 8.892 6.023 -0.072 720 2HG GLU 90 2HG GLU 90 8.926 4.349 -0.589 721 H ASN 91 H ASN 91 9.111 6.206 -5.165 722 HA ASN 91 HA ASN 91 10.022 8.952 -5.461 723 1HB ASN 91 1HB ASN 91 11.200 6.591 -7.007 724 2HB ASN 91 2HB ASN 91 11.780 8.245 -7.014 725 1HD2 ASN 91 1HD2 ASN 91 10.865 5.813 -4.568 726 2HD2 ASN 91 2HD2 ASN 91 12.277 5.960 -3.576 727 H ASN 92 H ASN 92 7.443 8.626 -5.942 728 HA ASN 92 HA ASN 92 6.662 7.317 -8.229 729 1HB ASN 92 1HB ASN 92 4.598 8.559 -8.018 730 2HB ASN 92 2HB ASN 92 5.194 8.355 -6.382 731 1HD2 ASN 92 1HD2 ASN 92 5.064 10.073 -5.176 732 2HD2 ASN 92 2HD2 ASN 92 5.191 11.728 -5.675 733 HA PRO 93 HA PRO 93 7.877 10.100 -11.392 734 1HB PRO 93 1HB PRO 93 5.911 9.825 -13.269 735 2HB PRO 93 2HB PRO 93 7.210 8.667 -13.066 736 1HG PRO 93 1HG PRO 93 4.376 8.435 -12.255 737 2HG PRO 93 2HG PRO 93 5.569 7.167 -12.451 738 1HD PRO 93 1HD PRO 93 4.639 8.280 -9.977 739 2HD PRO 93 2HD PRO 93 5.914 7.095 -10.179 740 H THR 94 H THR 94 4.445 10.478 -10.684 741 HA THR 94 HA THR 94 4.850 13.371 -11.058 742 HB THR 94 HB THR 94 3.192 12.162 -12.563 743 HG1 THR 94 1HG THR 94 1.577 13.818 -12.030 744 1HG2 THR 94 1HG2 THR 94 1.399 10.981 -11.718 745 2HG2 THR 94 2HG2 THR 94 2.408 10.813 -10.262 746 3HG2 THR 94 3HG2 THR 94 1.192 12.108 -10.357 747 H VAL 95 H VAL 95 5.781 13.748 -8.997 748 HA VAL 95 HA VAL 95 4.156 13.020 -6.705 749 HB VAL 95 HB VAL 95 6.582 12.697 -6.675 750 1HG1 VAL 95 1HG1 VAL 95 7.995 14.207 -7.503 751 2HG1 VAL 95 2HG1 VAL 95 6.629 15.297 -7.840 752 3HG1 VAL 95 3HG1 VAL 95 7.479 15.389 -6.277 753 1HG2 VAL 95 1HG2 VAL 95 5.086 13.456 -4.635 754 2HG2 VAL 95 2HG2 VAL 95 6.853 13.315 -4.472 755 3HG2 VAL 95 3HG2 VAL 95 6.106 14.913 -4.710 756 H LYS 96 H LYS 96 2.923 14.444 -5.505 757 HA LYS 96 HA LYS 96 2.812 17.177 -6.575 758 1HB LYS 96 1HB LYS 96 0.482 17.225 -5.982 759 2HB LYS 96 2HB LYS 96 0.785 15.814 -6.976 760 1HG LYS 96 1HG LYS 96 0.072 14.421 -5.333 761 2HG LYS 96 2HG LYS 96 1.201 15.114 -4.185 762 1HD LYS 96 1HD LYS 96 -0.643 17.131 -4.269 763 2HD LYS 96 2HD LYS 96 -1.685 15.773 -4.645 764 1HE LYS 96 1HE LYS 96 -1.046 14.611 -2.593 765 2HE LYS 96 2HE LYS 96 0.224 15.773 -2.264 766 1HZ LYS 96 1HZ LYS 96 -2.349 15.923 -1.422 767 2HZ LYS 96 2HZ LYS 96 -1.239 17.119 -1.341 768 3HZ LYS 96 3HZ LYS 96 -2.270 17.047 -2.605 769 H ALA 97 H ALA 97 3.151 15.078 -3.730 770 HA ALA 97 HA ALA 97 2.765 17.029 -1.769 771 1HB ALA 97 1HB ALA 97 2.964 14.425 -1.649 772 2HB ALA 97 2HB ALA 97 4.712 14.733 -1.504 773 3HB ALA 97 3HB ALA 97 3.587 15.400 -0.296 774 H SER 98 H SER 98 4.201 18.428 -0.683 775 HA SER 98 HA SER 98 5.864 19.806 -0.484 776 1HB SER 98 1HB SER 98 7.151 17.235 -1.060 777 2HB SER 98 2HB SER 98 8.149 18.573 -1.596 778 HG SER 98 HG SER 98 7.159 18.030 1.057 779 H GLY 99 H GLY 99 7.512 21.208 -1.727 780 1HA GLY 99 1HA GLY 99 7.435 21.008 -4.613 781 2HA GLY 99 2HA GLY 99 6.501 22.335 -3.952 782 H TYR 100 H TYR 100 7.857 23.426 -1.919 783 HA TYR 100 HA TYR 100 9.456 24.953 -1.594 784 1HB TYR 100 1HB TYR 100 11.049 23.541 -0.664 785 2HB TYR 100 2HB TYR 100 10.443 22.223 -1.646 786 HD1 TYR 100 1HD TYR 100 12.485 25.326 -2.246 787 HD2 TYR 100 2HD TYR 100 12.067 21.114 -2.861 788 HE1 TYR 100 1HE TYR 100 14.663 25.295 -3.558 789 HE2 TYR 100 2HE TYR 100 14.246 21.096 -4.172 790 HH TYR 100 HH TYR 100 15.798 22.309 -5.092 Start of MODEL 11 1 H MET 1 H MET 1 10.296 20.665 11.588 2 HA MET 1 HA MET 1 8.807 18.830 13.173 3 1HB MET 1 1HB MET 1 7.725 21.548 12.352 4 2HB MET 1 2HB MET 1 6.621 20.187 12.353 5 1HG MET 1 1HG MET 1 6.376 21.015 14.547 6 2HG MET 1 2HG MET 1 7.537 19.724 14.778 7 1HE MET 1 1HE MET 1 7.606 22.554 17.010 8 2HE MET 1 2HE MET 1 7.726 20.784 16.887 9 3HE MET 1 3HE MET 1 9.177 21.752 17.242 10 H SER 2 H SER 2 7.809 17.258 11.879 11 HA SER 2 HA SER 2 7.537 17.867 9.071 12 1HB SER 2 1HB SER 2 8.652 15.613 8.533 13 2HB SER 2 2HB SER 2 9.719 16.925 8.994 14 HG SER 2 HG SER 2 9.262 15.896 11.305 15 H ARG 3 H ARG 3 5.989 16.458 7.990 16 HA ARG 3 HA ARG 3 4.151 15.340 9.868 17 1HB ARG 3 1HB ARG 3 2.682 15.058 7.860 18 2HB ARG 3 2HB ARG 3 3.298 16.695 7.986 19 1HG ARG 3 1HG ARG 3 5.277 15.397 6.486 20 2HG ARG 3 2HG ARG 3 3.801 14.656 5.906 21 1HD ARG 3 1HD ARG 3 3.656 17.619 6.218 22 2HD ARG 3 2HD ARG 3 4.791 17.069 5.001 23 HE ARG 3 HE ARG 3 2.421 15.582 4.597 24 1HH1 ARG 3 2HH2 ARG 3 3.424 18.953 4.482 25 2HH1 ARG 3 1HH2 ARG 3 2.246 19.395 3.291 26 1HH2 ARG 3 2HH1 ARG 3 0.867 16.164 3.027 27 2HH2 ARG 3 1HH1 ARG 3 0.781 17.798 2.459 28 H SER 4 H SER 4 4.072 13.177 10.408 29 HA SER 4 HA SER 4 5.457 11.366 8.588 30 1HB SER 4 1HB SER 4 6.124 10.043 10.458 31 2HB SER 4 2HB SER 4 6.420 11.704 10.937 32 HG SER 4 HG SER 4 4.756 11.653 12.371 33 H ASN 5 H ASN 5 4.568 8.982 8.846 34 HA ASN 5 HA ASN 5 1.973 8.979 8.001 35 1HB ASN 5 1HB ASN 5 2.087 6.533 8.234 36 2HB ASN 5 2HB ASN 5 3.650 7.113 7.693 37 1HD2 ASN 5 1HD2 ASN 5 2.113 5.120 9.794 38 2HD2 ASN 5 2HD2 ASN 5 3.313 4.930 11.027 39 H ARG 6 H ARG 6 0.177 7.531 9.212 40 HA ARG 6 HA ARG 6 -0.340 8.861 11.632 41 1HB ARG 6 1HB ARG 6 -2.455 7.666 11.603 42 2HB ARG 6 2HB ARG 6 -2.083 8.088 9.943 43 1HG ARG 6 1HG ARG 6 -0.880 5.510 10.607 44 2HG ARG 6 2HG ARG 6 -2.589 5.488 10.995 45 1HD ARG 6 1HD ARG 6 -2.833 4.981 8.765 46 2HD ARG 6 2HD ARG 6 -2.702 6.715 8.550 47 HE ARG 6 HE ARG 6 -0.670 6.356 7.473 48 1HH1 ARG 6 2HH2 ARG 6 -1.256 3.662 9.659 49 2HH1 ARG 6 1HH2 ARG 6 0.168 2.799 9.182 50 1HH2 ARG 6 2HH1 ARG 6 1.210 5.219 6.844 51 2HH2 ARG 6 1HH1 ARG 6 1.580 3.691 7.571 52 H GLN 7 H GLN 7 -1.419 7.139 13.447 53 HA GLN 7 HA GLN 7 0.802 5.334 14.010 54 1HB GLN 7 1HB GLN 7 -0.078 5.636 16.459 55 2HB GLN 7 2HB GLN 7 0.880 6.915 15.739 56 1HG GLN 7 1HG GLN 7 -2.159 6.917 15.548 57 2HG GLN 7 2HG GLN 7 -1.336 7.579 16.945 58 1HE2 GLN 7 1HE2 GLN 7 -2.741 8.390 14.163 59 2HE2 GLN 7 2HE2 GLN 7 -1.879 9.825 13.717 60 H LYS 8 H LYS 8 -2.762 5.831 14.124 61 HA LYS 8 HA LYS 8 -3.059 2.936 13.976 62 1HB LYS 8 1HB LYS 8 -4.918 3.070 15.674 63 2HB LYS 8 2HB LYS 8 -3.296 3.237 16.311 64 1HG LYS 8 1HG LYS 8 -4.413 5.840 15.515 65 2HG LYS 8 2HG LYS 8 -5.438 5.031 16.686 66 1HD LYS 8 1HD LYS 8 -2.579 4.816 17.380 67 2HD LYS 8 2HD LYS 8 -3.098 6.484 17.249 68 1HE LYS 8 1HE LYS 8 -4.843 6.177 18.901 69 2HE LYS 8 2HE LYS 8 -4.686 4.432 18.848 70 1HZ LYS 8 1HZ LYS 8 -3.362 6.138 20.510 71 2HZ LYS 8 2HZ LYS 8 -3.080 4.540 20.331 72 3HZ LYS 8 3HZ LYS 8 -2.218 5.623 19.466 73 H GLU 9 H GLU 9 -4.374 6.256 13.674 74 HA GLU 9 HA GLU 9 -6.670 5.359 12.283 75 1HB GLU 9 1HB GLU 9 -6.911 7.862 11.783 76 2HB GLU 9 2HB GLU 9 -6.900 7.411 13.476 77 1HG GLU 9 1HG GLU 9 -4.638 8.152 13.781 78 2HG GLU 9 2HG GLU 9 -4.325 8.187 12.057 79 H TYR 10 H TYR 10 -6.718 4.660 10.195 80 HA TYR 10 HA TYR 10 -4.860 5.923 8.313 81 1HB TYR 10 1HB TYR 10 -4.176 3.719 7.564 82 2HB TYR 10 2HB TYR 10 -4.182 3.576 9.311 83 HD1 TYR 10 1HD TYR 10 -6.499 2.761 10.353 84 HD2 TYR 10 2HD TYR 10 -5.270 2.094 6.310 85 HE1 TYR 10 1HE TYR 10 -8.107 0.800 10.181 86 HE2 TYR 10 2HE TYR 10 -6.881 0.135 6.151 87 HH TYR 10 HH TYR 10 -8.718 -0.766 7.124 88 H LYS 11 H LYS 11 -5.996 6.773 6.649 89 HA LYS 11 HA LYS 11 -8.325 5.276 5.715 90 1HB LYS 11 1HB LYS 11 -8.314 8.002 6.894 91 2HB LYS 11 2HB LYS 11 -9.233 7.810 5.413 92 1HG LYS 11 1HG LYS 11 -10.120 5.597 6.664 93 2HG LYS 11 2HG LYS 11 -9.652 6.493 8.094 94 1HD LYS 11 1HD LYS 11 -11.986 6.996 7.630 95 2HD LYS 11 2HD LYS 11 -11.048 8.438 7.297 96 1HE LYS 11 1HE LYS 11 -11.911 8.466 5.198 97 2HE LYS 11 2HE LYS 11 -11.050 6.980 4.856 98 1HZ LYS 11 1HZ LYS 11 -13.261 6.288 6.335 99 2HZ LYS 11 2HZ LYS 11 -13.792 7.350 5.215 100 3HZ LYS 11 3HZ LYS 11 -13.001 6.001 4.749 101 H CYS 12 H CYS 12 -9.114 6.648 3.570 102 HA CYS 12 HA CYS 12 -7.389 6.081 1.623 103 1HB CYS 12 1HB CYS 12 -9.833 7.323 1.738 104 2HB CYS 12 2HB CYS 12 -8.825 8.616 1.119 105 HG CYS 12 HG CYS 12 -8.239 7.722 -1.044 106 H GLY 13 H GLY 13 -5.641 7.130 0.524 107 1HA GLY 13 1HA GLY 13 -4.137 8.826 0.112 108 2HA GLY 13 2HA GLY 13 -4.766 9.744 1.465 109 H ASP 14 H ASP 14 -4.428 6.555 2.533 110 HA ASP 14 HA ASP 14 -1.896 7.267 3.755 111 1HB ASP 14 1HB ASP 14 -3.415 6.684 5.456 112 2HB ASP 14 2HB ASP 14 -4.203 5.461 4.479 113 H LEU 15 H LEU 15 -0.034 6.099 3.188 114 HA LEU 15 HA LEU 15 -0.463 3.737 1.498 115 1HB LEU 15 1HB LEU 15 0.616 5.310 0.190 116 2HB LEU 15 2HB LEU 15 1.592 5.913 1.515 117 HG LEU 15 HG LEU 15 2.678 4.489 -0.377 118 1HD1 LEU 15 1HD1 LEU 15 4.205 5.065 1.195 119 2HD1 LEU 15 2HD1 LEU 15 3.194 4.508 2.550 120 3HD1 LEU 15 3HD1 LEU 15 4.101 3.328 1.573 121 1HD2 LEU 15 1HD2 LEU 15 2.250 2.308 -0.537 122 2HD2 LEU 15 2HD2 LEU 15 2.364 2.070 1.223 123 3HD2 LEU 15 3HD2 LEU 15 0.833 2.613 0.495 124 H VAL 16 H VAL 16 0.315 1.772 2.148 125 HA VAL 16 HA VAL 16 2.331 1.686 4.216 126 HB VAL 16 HB VAL 16 0.678 -0.049 5.366 127 1HG1 VAL 16 1HG1 VAL 16 0.586 2.953 5.824 128 2HG1 VAL 16 2HG1 VAL 16 0.100 1.702 6.993 129 3HG1 VAL 16 3HG1 VAL 16 1.799 1.827 6.479 130 1HG2 VAL 16 1HG2 VAL 16 -1.558 0.285 5.114 131 2HG2 VAL 16 2HG2 VAL 16 -1.377 2.026 4.791 132 3HG2 VAL 16 3HG2 VAL 16 -1.051 0.843 3.500 133 H PHE 17 H PHE 17 2.547 -0.906 4.769 134 HA PHE 17 HA PHE 17 2.996 -2.053 2.145 135 1HB PHE 17 1HB PHE 17 4.011 -2.232 4.944 136 2HB PHE 17 2HB PHE 17 3.847 -3.810 4.201 137 HD1 PHE 17 1HD PHE 17 5.173 -4.386 2.204 138 HD2 PHE 17 2HD PHE 17 5.700 -0.684 4.212 139 HE1 PHE 17 1HE PHE 17 7.368 -4.061 1.031 140 HE2 PHE 17 2HE PHE 17 7.895 -0.359 3.040 141 HZ PHE 17 HZ PHE 17 8.704 -2.052 1.463 142 H ALA 18 H ALA 18 1.612 -3.493 1.238 143 HA ALA 18 HA ALA 18 -0.033 -5.089 3.077 144 1HB ALA 18 1HB ALA 18 -0.932 -3.052 1.363 145 2HB ALA 18 2HB ALA 18 -1.299 -4.567 0.503 146 3HB ALA 18 3HB ALA 18 -1.924 -4.302 2.147 147 H LYS 19 H LYS 19 -0.297 -7.270 2.508 148 HA LYS 19 HA LYS 19 1.320 -8.096 0.198 149 1HB LYS 19 1HB LYS 19 2.122 -9.903 1.381 150 2HB LYS 19 2HB LYS 19 2.040 -8.679 2.632 151 1HG LYS 19 1HG LYS 19 -0.311 -10.538 2.125 152 2HG LYS 19 2HG LYS 19 1.032 -11.049 3.128 153 1HD LYS 19 1HD LYS 19 0.518 -8.544 4.179 154 2HD LYS 19 2HD LYS 19 -1.090 -9.032 3.687 155 1HE LYS 19 1HE LYS 19 -0.645 -9.749 6.013 156 2HE LYS 19 2HE LYS 19 -0.874 -11.145 4.979 157 1HZ LYS 19 1HZ LYS 19 1.324 -10.547 6.519 158 2HZ LYS 19 2HZ LYS 19 1.143 -11.810 5.499 159 3HZ LYS 19 3HZ LYS 19 1.821 -10.422 4.968 160 H MET 20 H MET 20 0.549 -10.077 -0.933 161 HA MET 20 HA MET 20 -2.331 -10.391 -0.619 162 1HB MET 20 1HB MET 20 -1.431 -8.925 -2.643 163 2HB MET 20 2HB MET 20 -0.935 -10.458 -3.332 164 1HG MET 20 1HG MET 20 -3.085 -11.066 -3.849 165 2HG MET 20 2HG MET 20 -3.716 -10.508 -2.312 166 1HE MET 20 1HE MET 20 -3.009 -9.088 -6.196 167 2HE MET 20 2HE MET 20 -3.988 -10.448 -5.593 168 3HE MET 20 3HE MET 20 -4.774 -8.919 -6.056 169 H LYS 21 H LYS 21 -3.172 -12.475 -1.581 170 HA LYS 21 HA LYS 21 -1.676 -14.631 -0.686 171 1HB LYS 21 1HB LYS 21 -4.216 -14.375 -1.115 172 2HB LYS 21 2HB LYS 21 -3.854 -14.842 -2.764 173 1HG LYS 21 1HG LYS 21 -3.592 -17.024 -2.185 174 2HG LYS 21 2HG LYS 21 -2.482 -16.619 -0.889 175 1HD LYS 21 1HD LYS 21 -4.094 -17.014 0.654 176 2HD LYS 21 2HD LYS 21 -5.113 -15.782 -0.063 177 1HE LYS 21 1HE LYS 21 -5.655 -17.654 -1.866 178 2HE LYS 21 2HE LYS 21 -5.053 -18.758 -0.646 179 1HZ LYS 21 1HZ LYS 21 -6.846 -16.855 0.438 180 2HZ LYS 21 2HZ LYS 21 -7.544 -17.723 -0.756 181 3HZ LYS 21 3HZ LYS 21 -6.885 -18.484 0.530 182 H GLY 22 H GLY 22 0.127 -15.557 -1.481 183 1HA GLY 22 1HA GLY 22 1.397 -16.597 -3.089 184 2HA GLY 22 2HA GLY 22 0.399 -15.907 -4.354 185 H TYR 23 H TYR 23 0.692 -13.183 -2.765 186 HA TYR 23 HA TYR 23 3.301 -12.537 -3.958 187 1HB TYR 23 1HB TYR 23 0.891 -11.559 -4.643 188 2HB TYR 23 2HB TYR 23 1.035 -10.636 -3.161 189 HD1 TYR 23 1HD TYR 23 3.659 -11.494 -5.695 190 HD2 TYR 23 2HD TYR 23 1.341 -8.417 -3.832 191 HE1 TYR 23 1HE TYR 23 5.007 -9.723 -6.926 192 HE2 TYR 23 2HE TYR 23 2.698 -6.657 -5.068 193 HH TYR 23 HH TYR 23 5.587 -7.449 -6.732 194 HA PRO 24 HA PRO 24 4.606 -11.551 0.064 195 1HB PRO 24 1HB PRO 24 6.980 -10.342 -0.542 196 2HB PRO 24 2HB PRO 24 6.788 -12.080 -0.443 197 1HG PRO 24 1HG PRO 24 7.040 -10.376 -2.846 198 2HG PRO 24 2HG PRO 24 7.272 -12.107 -2.699 199 1HD PRO 24 1HD PRO 24 4.993 -10.772 -3.815 200 2HD PRO 24 2HD PRO 24 5.177 -12.495 -3.562 201 H HIS 25 H HIS 25 4.953 -9.837 1.601 202 HA HIS 25 HA HIS 25 3.222 -7.810 1.330 203 1HB HIS 25 1HB HIS 25 5.399 -8.492 3.067 204 2HB HIS 25 2HB HIS 25 5.459 -6.768 2.761 205 HD1 HIS 25 1HD HIS 25 3.205 -5.386 3.354 206 HD2 HIS 25 2HD HIS 25 3.426 -9.306 4.830 207 HE1 HIS 25 1HE HIS 25 1.433 -5.562 5.180 208 H TRP 26 H TRP 26 2.964 -6.355 -0.287 209 HA TRP 26 HA TRP 26 5.419 -5.167 -1.390 210 1HB TRP 26 1HB TRP 26 3.320 -6.550 -2.695 211 2HB TRP 26 2HB TRP 26 3.153 -4.859 -3.123 212 HD1 TRP 26 HD TRP 26 4.411 -4.407 -5.356 213 HE1 TRP 26 1HE TRP 26 6.627 -5.160 -6.576 214 HE3 TRP 26 3HE TRP 26 5.940 -7.628 -1.730 215 HZ2 TRP 26 2HZ TRP 26 8.724 -6.975 -5.904 216 HZ3 TRP 26 3HZ TRP 26 8.083 -8.850 -2.090 217 HH2 TRP 26 HH TRP 26 9.459 -8.566 -4.091 218 HA PRO 27 HA PRO 27 3.772 -1.368 -0.086 219 1HB PRO 27 1HB PRO 27 4.822 0.393 -1.893 220 2HB PRO 27 2HB PRO 27 5.734 -0.254 -0.544 221 1HG PRO 27 1HG PRO 27 5.910 -0.962 -3.408 222 2HG PRO 27 2HG PRO 27 7.069 -1.265 -2.129 223 1HD PRO 27 1HD PRO 27 5.268 -3.166 -3.301 224 2HD PRO 27 2HD PRO 27 6.344 -3.440 -1.945 225 H ALA 28 H ALA 28 1.588 -1.326 -0.085 226 HA ALA 28 HA ALA 28 0.465 -0.436 -2.653 227 1HB ALA 28 1HB ALA 28 -1.442 -1.811 -0.950 228 2HB ALA 28 2HB ALA 28 -0.947 -2.183 -2.619 229 3HB ALA 28 3HB ALA 28 -0.022 -2.841 -1.249 230 H ARG 29 H ARG 29 -1.094 1.222 -2.563 231 HA ARG 29 HA ARG 29 -1.087 2.590 -0.016 232 1HB ARG 29 1HB ARG 29 -0.385 3.847 -2.068 233 2HB ARG 29 2HB ARG 29 -1.953 3.547 -2.792 234 1HG ARG 29 1HG ARG 29 -3.087 4.874 -1.095 235 2HG ARG 29 2HG ARG 29 -1.637 4.979 -0.118 236 1HD ARG 29 1HD ARG 29 -1.747 7.082 -1.245 237 2HD ARG 29 2HD ARG 29 -0.528 6.180 -2.127 238 HE ARG 29 HE ARG 29 -1.973 6.051 -3.985 239 1HH1 ARG 29 2HH2 ARG 29 -3.736 7.216 -1.172 240 2HH1 ARG 29 1HH2 ARG 29 -5.143 7.663 -2.080 241 1HH2 ARG 29 2HH1 ARG 29 -3.827 6.639 -5.183 242 2HH2 ARG 29 1HH1 ARG 29 -5.195 7.332 -4.377 243 H ILE 30 H ILE 30 -3.042 3.154 1.077 244 HA ILE 30 HA ILE 30 -5.206 1.418 0.675 245 HB ILE 30 HB ILE 30 -4.278 3.026 2.684 246 1HG1 ILE 30 1HG1 ILE 30 -5.688 0.846 2.621 247 2HG1 ILE 30 2HG1 ILE 30 -5.794 1.904 4.013 248 1HG2 ILE 30 1HG2 ILE 30 -6.962 4.165 1.870 249 2HG2 ILE 30 2HG2 ILE 30 -5.968 4.622 3.273 250 3HG2 ILE 30 3HG2 ILE 30 -5.402 4.985 1.626 251 1HD1 ILE 30 1HD1 ILE 30 -7.924 2.712 3.422 252 2HD1 ILE 30 2HD1 ILE 30 -7.707 2.307 1.702 253 3HD1 ILE 30 3HD1 ILE 30 -8.008 1.015 2.888 254 H ASP 31 H ASP 31 -7.322 1.784 -0.139 255 HA ASP 31 HA ASP 31 -7.869 4.306 -1.345 256 1HB ASP 31 1HB ASP 31 -7.141 1.864 -2.952 257 2HB ASP 31 2HB ASP 31 -8.460 2.849 -3.550 258 H GLU 32 H GLU 32 -10.188 4.487 -1.787 259 HA GLU 32 HA GLU 32 -11.688 2.342 -0.556 260 1HB GLU 32 1HB GLU 32 -11.826 5.083 -0.266 261 2HB GLU 32 2HB GLU 32 -13.118 4.805 -1.417 262 1HG GLU 32 1HG GLU 32 -14.087 3.060 0.106 263 2HG GLU 32 2HG GLU 32 -12.806 3.366 1.263 264 H MET 33 H MET 33 -13.811 1.680 -1.572 265 HA MET 33 HA MET 33 -13.342 1.076 -4.289 266 1HB MET 33 1HB MET 33 -15.630 -0.032 -4.061 267 2HB MET 33 2HB MET 33 -14.489 -0.531 -2.827 268 1HG MET 33 1HG MET 33 -15.832 1.837 -1.863 269 2HG MET 33 2HG MET 33 -17.059 0.748 -2.477 270 1HE MET 33 1HE MET 33 -16.488 1.936 0.142 271 2HE MET 33 2HE MET 33 -17.142 0.634 1.166 272 3HE MET 33 3HE MET 33 -15.425 1.088 1.289 273 HA PRO 34 HA PRO 34 -15.374 4.706 -5.726 274 1HB PRO 34 1HB PRO 34 -14.637 4.479 -8.349 275 2HB PRO 34 2HB PRO 34 -13.638 5.258 -7.136 276 1HG PRO 34 1HG PRO 34 -13.305 2.599 -8.383 277 2HG PRO 34 2HG PRO 34 -12.124 3.558 -7.512 278 1HD PRO 34 1HD PRO 34 -13.541 1.268 -6.523 279 2HD PRO 34 2HD PRO 34 -12.448 2.297 -5.619 280 H GLU 35 H GLU 35 -17.436 5.134 -6.267 281 HA GLU 35 HA GLU 35 -18.787 2.823 -7.386 282 1HB GLU 35 1HB GLU 35 -20.845 3.796 -6.497 283 2HB GLU 35 2HB GLU 35 -19.636 3.745 -5.230 284 1HG GLU 35 1HG GLU 35 -19.047 6.189 -5.959 285 2HG GLU 35 2HG GLU 35 -20.570 6.159 -6.827 286 H ALA 36 H ALA 36 -17.150 4.361 -9.150 287 HA ALA 36 HA ALA 36 -19.172 5.837 -10.691 288 1HB ALA 36 1HB ALA 36 -17.619 7.462 -10.722 289 2HB ALA 36 2HB ALA 36 -16.431 6.410 -9.915 290 3HB ALA 36 3HB ALA 36 -16.585 6.383 -11.689 291 H ALA 37 H ALA 37 -16.215 3.746 -11.051 292 HA ALA 37 HA ALA 37 -16.846 3.057 -13.715 293 1HB ALA 37 1HB ALA 37 -14.801 2.074 -13.643 294 2HB ALA 37 2HB ALA 37 -14.649 2.892 -12.070 295 3HB ALA 37 3HB ALA 37 -15.171 1.191 -12.143 296 H VAL 38 H VAL 38 -17.420 1.536 -10.496 297 HA VAL 38 HA VAL 38 -19.497 -0.069 -11.751 298 HB VAL 38 HB VAL 38 -18.693 -2.077 -10.526 299 1HG1 VAL 38 1HG1 VAL 38 -16.422 -1.426 -12.322 300 2HG1 VAL 38 2HG1 VAL 38 -17.556 -2.797 -12.351 301 3HG1 VAL 38 3HG1 VAL 38 -18.049 -1.219 -13.013 302 1HG2 VAL 38 1HG2 VAL 38 -16.465 -2.213 -9.652 303 2HG2 VAL 38 2HG2 VAL 38 -16.074 -0.575 -10.229 304 3HG2 VAL 38 3HG2 VAL 38 -17.248 -0.797 -8.909 305 H LYS 39 H LYS 39 -20.743 -1.278 -9.868 306 HA LYS 39 HA LYS 39 -21.025 0.709 -7.729 307 1HB LYS 39 1HB LYS 39 -23.050 -1.212 -8.916 308 2HB LYS 39 2HB LYS 39 -23.350 -0.173 -7.537 309 1HG LYS 39 1HG LYS 39 -23.714 1.629 -8.870 310 2HG LYS 39 2HG LYS 39 -22.196 1.392 -9.713 311 1HD LYS 39 1HD LYS 39 -24.158 -0.654 -10.481 312 2HD LYS 39 2HD LYS 39 -24.793 0.957 -10.746 313 1HE LYS 39 1HE LYS 39 -22.987 1.556 -12.211 314 2HE LYS 39 2HE LYS 39 -21.994 0.215 -11.676 315 1HZ LYS 39 1HZ LYS 39 -24.220 -0.984 -12.590 316 2HZ LYS 39 2HZ LYS 39 -24.041 0.253 -13.641 317 3HZ LYS 39 3HZ LYS 39 -22.828 -0.819 -13.428 318 H SER 40 H SER 40 -18.979 -0.560 -6.955 319 HA SER 40 HA SER 40 -19.276 -3.169 -6.087 320 1HB SER 40 1HB SER 40 -17.355 -0.963 -5.753 321 2HB SER 40 2HB SER 40 -17.449 -1.970 -4.321 322 HG SER 40 HG SER 40 -17.266 -3.239 -6.882 323 H THR 41 H THR 41 -18.844 -3.567 -3.482 324 HA THR 41 HA THR 41 -21.036 -2.129 -2.134 325 HB THR 41 HB THR 41 -20.040 -4.986 -1.662 326 HG1 THR 41 1HG THR 41 -22.374 -3.899 -3.071 327 1HG2 THR 41 1HG2 THR 41 -21.353 -4.348 0.234 328 2HG2 THR 41 2HG2 THR 41 -22.429 -3.329 -0.751 329 3HG2 THR 41 3HG2 THR 41 -22.539 -5.103 -0.859 330 H ALA 42 H ALA 42 -20.791 -2.307 0.370 331 HA ALA 42 HA ALA 42 -18.050 -1.434 0.929 332 1HB ALA 42 1HB ALA 42 -20.287 -0.029 1.277 333 2HB ALA 42 2HB ALA 42 -20.359 -0.961 2.790 334 3HB ALA 42 3HB ALA 42 -18.947 0.065 2.444 335 H ASN 43 H ASN 43 -16.759 -2.643 2.240 336 HA ASN 43 HA ASN 43 -17.507 -3.964 4.453 337 1HB ASN 43 1HB ASN 43 -17.401 -6.420 3.556 338 2HB ASN 43 2HB ASN 43 -18.910 -5.551 3.354 339 1HD2 ASN 43 1HD2 ASN 43 -19.786 -5.535 1.432 340 2HD2 ASN 43 2HD2 ASN 43 -19.000 -5.828 -0.084 341 H LYS 44 H LYS 44 -15.609 -3.922 1.428 342 HA LYS 44 HA LYS 44 -13.244 -4.726 2.977 343 1HB LYS 44 1HB LYS 44 -12.444 -6.003 1.234 344 2HB LYS 44 2HB LYS 44 -14.165 -6.320 1.132 345 1HG LYS 44 1HG LYS 44 -13.888 -4.025 -0.436 346 2HG LYS 44 2HG LYS 44 -12.400 -4.888 -0.770 347 1HD LYS 44 1HD LYS 44 -13.492 -6.698 -1.758 348 2HD LYS 44 2HD LYS 44 -14.931 -6.512 -0.772 349 1HE LYS 44 1HE LYS 44 -14.912 -4.133 -2.227 350 2HE LYS 44 2HE LYS 44 -14.263 -5.274 -3.387 351 1HZ LYS 44 1HZ LYS 44 -16.158 -6.584 -3.220 352 2HZ LYS 44 2HZ LYS 44 -16.680 -5.871 -1.846 353 3HZ LYS 44 3HZ LYS 44 -16.742 -5.060 -3.262 354 H TYR 45 H TYR 45 -11.159 -3.868 1.735 355 HA TYR 45 HA TYR 45 -11.740 -1.073 1.016 356 1HB TYR 45 1HB TYR 45 -10.286 -0.621 2.772 357 2HB TYR 45 2HB TYR 45 -10.189 -2.337 3.108 358 HD1 TYR 45 1HD TYR 45 -8.778 0.125 0.641 359 HD2 TYR 45 2HD TYR 45 -8.079 -3.294 3.114 360 HE1 TYR 45 1HE TYR 45 -6.329 0.122 -0.042 361 HE2 TYR 45 2HE TYR 45 -5.632 -3.284 2.424 362 HH TYR 45 HH TYR 45 -4.314 -0.664 0.498 363 H GLN 46 H GLN 46 -10.842 -0.271 -0.855 364 HA GLN 46 HA GLN 46 -9.734 -2.186 -2.616 365 1HB GLN 46 1HB GLN 46 -11.228 -0.446 -3.461 366 2HB GLN 46 2HB GLN 46 -10.174 0.819 -2.861 367 1HG GLN 46 1HG GLN 46 -8.344 -0.052 -4.388 368 2HG GLN 46 2HG GLN 46 -9.488 -1.204 -5.044 369 1HE2 GLN 46 1HE2 GLN 46 -8.221 1.898 -5.233 370 2HE2 GLN 46 2HE2 GLN 46 -9.340 2.622 -6.339 371 H VAL 47 H VAL 47 -7.623 -2.810 -2.646 372 HA VAL 47 HA VAL 47 -5.667 -1.007 -1.453 373 HB VAL 47 HB VAL 47 -5.838 -3.330 -0.674 374 1HG1 VAL 47 1HG1 VAL 47 -4.529 -4.636 -2.900 375 2HG1 VAL 47 2HG1 VAL 47 -6.030 -5.076 -2.051 376 3HG1 VAL 47 3HG1 VAL 47 -6.081 -3.934 -3.416 377 1HG2 VAL 47 1HG2 VAL 47 -3.571 -1.884 -1.161 378 2HG2 VAL 47 2HG2 VAL 47 -3.620 -3.425 -0.272 379 3HG2 VAL 47 3HG2 VAL 47 -3.200 -3.408 -2.001 380 H PHE 48 H PHE 48 -3.995 -0.061 -2.601 381 HA PHE 48 HA PHE 48 -4.099 -0.517 -5.499 382 1HB PHE 48 1HB PHE 48 -4.286 1.813 -3.794 383 2HB PHE 48 2HB PHE 48 -2.726 1.915 -4.587 384 HD1 PHE 48 1HD PHE 48 -6.333 1.373 -5.348 385 HD2 PHE 48 2HD PHE 48 -2.587 2.813 -6.725 386 HE1 PHE 48 1HE PHE 48 -7.441 2.285 -7.407 387 HE2 PHE 48 2HE PHE 48 -3.695 3.726 -8.784 388 HZ PHE 48 HZ PHE 48 -6.109 3.452 -9.100 389 H PHE 49 H PHE 49 -2.504 -2.079 -5.797 390 HA PHE 49 HA PHE 49 -0.033 -1.893 -4.371 391 1HB PHE 49 1HB PHE 49 -1.415 -3.615 -6.441 392 2HB PHE 49 2HB PHE 49 0.334 -3.701 -6.426 393 HD1 PHE 49 1HD PHE 49 -2.659 -4.135 -4.281 394 HD2 PHE 49 2HD PHE 49 1.457 -5.006 -4.828 395 HE1 PHE 49 1HE PHE 49 -2.755 -5.779 -2.388 396 HE2 PHE 49 2HE PHE 49 1.361 -6.651 -2.934 397 HZ PHE 49 HZ PHE 49 -0.745 -7.017 -1.736 398 H PHE 50 H PHE 50 1.715 -0.689 -4.933 399 HA PHE 50 HA PHE 50 1.671 0.718 -7.424 400 1HB PHE 50 1HB PHE 50 3.308 0.523 -4.878 401 2HB PHE 50 2HB PHE 50 4.126 1.196 -6.275 402 HD1 PHE 50 1HD PHE 50 4.081 3.483 -6.493 403 HD2 PHE 50 2HD PHE 50 0.842 1.574 -4.525 404 HE1 PHE 50 1HE PHE 50 3.048 5.721 -6.021 405 HE2 PHE 50 2HE PHE 50 -0.191 3.812 -4.053 406 HZ PHE 50 HZ PHE 50 0.925 5.859 -4.807 407 H GLY 51 H GLY 51 3.972 -1.613 -5.832 408 1HA GLY 51 1HA GLY 51 5.847 -1.948 -7.717 409 2HA GLY 51 2HA GLY 51 5.202 -3.271 -6.767 410 H THR 52 H THR 52 2.705 -3.793 -7.670 411 HA THR 52 HA THR 52 3.223 -4.805 -10.315 412 HB THR 52 HB THR 52 1.142 -6.039 -9.899 413 HG1 THR 52 1HG THR 52 -0.327 -4.823 -8.777 414 1HG2 THR 52 1HG2 THR 52 3.325 -6.227 -8.172 415 2HG2 THR 52 2HG2 THR 52 1.974 -5.931 -7.050 416 3HG2 THR 52 3HG2 THR 52 1.923 -7.324 -8.157 417 H HIS 53 H HIS 53 1.505 -2.084 -8.852 418 HA HIS 53 HA HIS 53 0.620 -0.303 -9.798 419 1HB HIS 53 1HB HIS 53 2.463 -0.740 -11.556 420 2HB HIS 53 2HB HIS 53 1.180 -1.387 -12.559 421 HD1 HIS 53 1HD HIS 53 2.110 0.792 -14.044 422 HD2 HIS 53 2HD HIS 53 -0.266 1.568 -10.676 423 HE1 HIS 53 1HE HIS 53 1.222 3.167 -14.328 424 H GLU 54 H GLU 54 -0.902 -2.596 -9.005 425 HA GLU 54 HA GLU 54 -3.177 -2.169 -10.755 426 1HB GLU 54 1HB GLU 54 -2.055 -4.856 -9.884 427 2HB GLU 54 2HB GLU 54 -3.734 -4.678 -10.351 428 1HG GLU 54 1HG GLU 54 -2.179 -3.339 -12.356 429 2HG GLU 54 2HG GLU 54 -1.389 -4.873 -12.052 430 H THR 55 H THR 55 -5.286 -2.910 -9.633 431 HA THR 55 HA THR 55 -5.038 -2.280 -6.771 432 HB THR 55 HB THR 55 -7.014 -1.654 -8.964 433 HG1 THR 55 1HG THR 55 -6.195 0.266 -8.238 434 1HG2 THR 55 1HG2 THR 55 -8.779 -1.154 -7.367 435 2HG2 THR 55 2HG2 THR 55 -8.322 -2.854 -7.095 436 3HG2 THR 55 3HG2 THR 55 -7.733 -1.586 -5.992 437 H ALA 56 H ALA 56 -6.571 -3.350 -5.283 438 HA ALA 56 HA ALA 56 -7.713 -5.823 -6.204 439 1HB ALA 56 1HB ALA 56 -5.575 -6.752 -5.926 440 2HB ALA 56 2HB ALA 56 -5.192 -5.705 -4.538 441 3HB ALA 56 3HB ALA 56 -6.341 -7.050 -4.346 442 H PHE 57 H PHE 57 -8.422 -7.053 -3.945 443 HA PHE 57 HA PHE 57 -9.573 -4.910 -2.299 444 1HB PHE 57 1HB PHE 57 -10.692 -7.700 -2.935 445 2HB PHE 57 2HB PHE 57 -11.560 -6.396 -2.149 446 HD1 PHE 57 1HD PHE 57 -11.691 -4.163 -3.608 447 HD2 PHE 57 2HD PHE 57 -11.102 -8.063 -5.173 448 HE1 PHE 57 1HE PHE 57 -12.567 -3.402 -5.834 449 HE2 PHE 57 2HE PHE 57 -11.978 -7.302 -7.400 450 HZ PHE 57 HZ PHE 57 -12.700 -4.981 -7.702 451 H LEU 58 H LEU 58 -8.273 -4.921 -0.482 452 HA LEU 58 HA LEU 58 -8.113 -7.502 0.905 453 1HB LEU 58 1HB LEU 58 -5.917 -5.502 0.410 454 2HB LEU 58 2HB LEU 58 -5.855 -6.635 1.745 455 HG LEU 58 HG LEU 58 -5.985 -7.341 -1.200 456 1HD1 LEU 58 1HD1 LEU 58 -3.703 -8.401 -0.528 457 2HD1 LEU 58 2HD1 LEU 58 -3.804 -6.654 -0.860 458 3HD1 LEU 58 3HD1 LEU 58 -3.765 -7.241 0.822 459 1HD2 LEU 58 1HD2 LEU 58 -6.529 -8.932 1.205 460 2HD2 LEU 58 2HD2 LEU 58 -6.929 -9.243 -0.501 461 3HD2 LEU 58 3HD2 LEU 58 -5.312 -9.646 0.122 462 H GLY 59 H GLY 59 -7.236 -6.871 3.328 463 1HA GLY 59 1HA GLY 59 -8.956 -4.629 4.212 464 2HA GLY 59 2HA GLY 59 -8.887 -6.173 5.038 465 HA PRO 60 HA PRO 60 -5.725 -3.508 6.925 466 1HB PRO 60 1HB PRO 60 -6.613 -3.633 9.505 467 2HB PRO 60 2HB PRO 60 -7.036 -2.335 8.408 468 1HG PRO 60 1HG PRO 60 -8.695 -4.604 9.321 469 2HG PRO 60 2HG PRO 60 -9.205 -3.098 8.587 470 1HD PRO 60 1HD PRO 60 -9.044 -5.662 7.310 471 2HD PRO 60 2HD PRO 60 -9.442 -4.135 6.548 472 H LYS 61 H LYS 61 -6.906 -6.653 7.408 473 HA LYS 61 HA LYS 61 -4.839 -7.453 9.191 474 1HB LYS 61 1HB LYS 61 -6.995 -8.582 9.150 475 2HB LYS 61 2HB LYS 61 -6.770 -9.039 7.474 476 1HG LYS 61 1HG LYS 61 -5.879 -10.967 8.309 477 2HG LYS 61 2HG LYS 61 -4.438 -10.011 8.597 478 1HD LYS 61 1HD LYS 61 -4.759 -9.954 10.873 479 2HD LYS 61 2HD LYS 61 -6.494 -9.757 10.730 480 1HE LYS 61 1HE LYS 61 -6.898 -12.065 10.618 481 2HE LYS 61 2HE LYS 61 -5.327 -12.419 9.925 482 1HZ LYS 61 1HZ LYS 61 -5.109 -11.278 12.505 483 2HZ LYS 61 2HZ LYS 61 -6.002 -12.644 12.532 484 3HZ LYS 61 3HZ LYS 61 -4.483 -12.673 11.935 485 H ASP 62 H ASP 62 -5.152 -6.985 5.721 486 HA ASP 62 HA ASP 62 -2.781 -8.572 5.270 487 1HB ASP 62 1HB ASP 62 -4.619 -7.055 3.359 488 2HB ASP 62 2HB ASP 62 -3.237 -8.001 2.842 489 H LEU 63 H LEU 63 -3.471 -5.547 6.409 490 HA LEU 63 HA LEU 63 -1.330 -4.255 4.868 491 1HB LEU 63 1HB LEU 63 -3.953 -3.423 5.420 492 2HB LEU 63 2HB LEU 63 -2.931 -2.461 6.468 493 HG LEU 63 HG LEU 63 -2.921 -1.101 4.658 494 1HD1 LEU 63 1HD1 LEU 63 -0.833 -2.947 3.513 495 2HD1 LEU 63 2HD1 LEU 63 -0.871 -1.168 3.548 496 3HD1 LEU 63 3HD1 LEU 63 -0.572 -2.081 5.046 497 1HD2 LEU 63 1HD2 LEU 63 -4.354 -1.930 3.115 498 2HD2 LEU 63 2HD2 LEU 63 -2.841 -2.268 2.242 499 3HD2 LEU 63 3HD2 LEU 63 -3.645 -3.563 3.161 500 H PHE 64 H PHE 64 0.454 -3.432 5.944 501 HA PHE 64 HA PHE 64 0.397 -3.565 8.856 502 1HB PHE 64 1HB PHE 64 1.554 -5.513 7.158 503 2HB PHE 64 2HB PHE 64 2.913 -4.468 7.524 504 HD1 PHE 64 1HD PHE 64 4.234 -5.680 8.998 505 HD2 PHE 64 2HD PHE 64 0.053 -5.468 9.694 506 HE1 PHE 64 1HE PHE 64 4.541 -6.849 11.198 507 HE2 PHE 64 2HE PHE 64 0.360 -6.637 11.893 508 HZ PHE 64 HZ PHE 64 2.601 -7.314 12.619 509 HA PRO 65 HA PRO 65 2.474 0.205 8.192 510 1HB PRO 65 1HB PRO 65 2.900 0.889 10.803 511 2HB PRO 65 2HB PRO 65 1.391 1.194 9.967 512 1HG PRO 65 1HG PRO 65 2.005 -0.876 11.986 513 2HG PRO 65 2HG PRO 65 0.441 -0.284 11.461 514 1HD PRO 65 1HD PRO 65 1.674 -2.763 10.715 515 2HD PRO 65 2HD PRO 65 0.164 -2.116 10.103 516 H TYR 66 H TYR 66 4.539 1.403 8.773 517 HA TYR 66 HA TYR 66 6.645 -0.361 8.231 518 1HB TYR 66 1HB TYR 66 6.899 1.948 7.621 519 2HB TYR 66 2HB TYR 66 6.175 2.513 9.112 520 HD1 TYR 66 1HD TYR 66 7.516 3.085 10.994 521 HD2 TYR 66 2HD TYR 66 9.277 1.060 7.664 522 HE1 TYR 66 1HE TYR 66 9.832 3.519 11.948 523 HE2 TYR 66 2HE TYR 66 11.588 1.499 8.627 524 HH TYR 66 HH TYR 66 12.731 2.493 10.171 525 H GLU 67 H GLU 67 5.332 1.009 11.275 526 HA GLU 67 HA GLU 67 7.502 0.347 12.864 527 1HB GLU 67 1HB GLU 67 4.647 1.092 13.274 528 2HB GLU 67 2HB GLU 67 5.377 0.208 14.600 529 1HG GLU 67 1HG GLU 67 7.293 1.857 14.597 530 2HG GLU 67 2HG GLU 67 6.479 2.763 13.337 531 H GLU 68 H GLU 68 4.424 -1.438 12.150 532 HA GLU 68 HA GLU 68 5.129 -3.627 13.744 533 1HB GLU 68 1HB GLU 68 2.857 -2.755 12.346 534 2HB GLU 68 2HB GLU 68 3.297 -4.239 11.523 535 1HG GLU 68 1HG GLU 68 1.951 -5.071 13.249 536 2HG GLU 68 2HG GLU 68 3.544 -5.230 13.962 537 H SER 69 H SER 69 5.282 -2.991 10.179 538 HA SER 69 HA SER 69 6.185 -5.458 9.432 539 1HB SER 69 1HB SER 69 6.518 -4.498 7.356 540 2HB SER 69 2HB SER 69 5.535 -3.242 8.084 541 HG SER 69 HG SER 69 8.034 -3.021 7.104 542 H LYS 70 H LYS 70 8.099 -2.481 10.269 543 HA LYS 70 HA LYS 70 10.596 -3.730 9.987 544 1HB LYS 70 1HB LYS 70 11.480 -1.716 10.661 545 2HB LYS 70 2HB LYS 70 9.912 -1.212 10.064 546 1HG LYS 70 1HG LYS 70 9.621 -0.224 12.095 547 2HG LYS 70 2HG LYS 70 9.335 -1.839 12.712 548 1HD LYS 70 1HD LYS 70 11.904 -2.021 13.017 549 2HD LYS 70 2HD LYS 70 11.964 -0.296 12.710 550 1HE LYS 70 1HE LYS 70 9.909 -0.547 14.615 551 2HE LYS 70 2HE LYS 70 11.088 -1.735 15.133 552 1HZ LYS 70 1HZ LYS 70 12.697 -0.121 15.356 553 2HZ LYS 70 2HZ LYS 70 11.929 0.967 14.409 554 3HZ LYS 70 3HZ LYS 70 11.362 0.643 15.906 555 H GLU 71 H GLU 71 8.100 -3.986 12.382 556 HA GLU 71 HA GLU 71 9.679 -4.450 14.613 557 1HB GLU 71 1HB GLU 71 7.043 -4.145 14.249 558 2HB GLU 71 2HB GLU 71 7.061 -5.898 14.248 559 1HG GLU 71 1HG GLU 71 8.310 -5.847 16.449 560 2HG GLU 71 2HG GLU 71 8.170 -4.099 16.455 561 H LYS 72 H LYS 72 8.241 -6.711 12.168 562 HA LYS 72 HA LYS 72 9.747 -8.895 13.357 563 1HB LYS 72 1HB LYS 72 7.484 -9.433 12.878 564 2HB LYS 72 2HB LYS 72 7.564 -8.734 11.275 565 1HG LYS 72 1HG LYS 72 7.751 -11.069 10.880 566 2HG LYS 72 2HG LYS 72 9.403 -10.494 10.762 567 1HD LYS 72 1HD LYS 72 8.769 -11.140 13.540 568 2HD LYS 72 2HD LYS 72 8.393 -12.506 12.509 569 1HE LYS 72 1HE LYS 72 10.794 -11.906 11.437 570 2HE LYS 72 2HE LYS 72 11.058 -11.181 13.012 571 1HZ LYS 72 1HZ LYS 72 9.944 -13.566 13.586 572 2HZ LYS 72 2HZ LYS 72 10.899 -13.924 12.312 573 3HZ LYS 72 3HZ LYS 72 11.540 -13.229 13.643 574 H PHE 73 H PHE 73 9.174 -7.732 9.959 575 HA PHE 73 HA PHE 73 12.058 -8.008 9.543 576 1HB PHE 73 1HB PHE 73 11.460 -9.069 7.326 577 2HB PHE 73 2HB PHE 73 10.870 -10.027 8.669 578 HD1 PHE 73 1HD PHE 73 10.008 -8.651 5.584 579 HD2 PHE 73 2HD PHE 73 8.394 -9.395 9.438 580 HE1 PHE 73 1HE PHE 73 7.690 -8.562 4.630 581 HE2 PHE 73 2HE PHE 73 6.076 -9.306 8.484 582 HZ PHE 73 HZ PHE 73 5.750 -8.891 6.091 583 H GLY 74 H GLY 74 8.915 -6.901 8.084 584 1HA GLY 74 1HA GLY 74 8.378 -5.019 6.982 585 2HA GLY 74 2HA GLY 74 9.690 -4.229 7.833 586 H LYS 75 H LYS 75 10.829 -6.992 6.130 587 HA LYS 75 HA LYS 75 11.404 -5.401 3.742 588 1HB LYS 75 1HB LYS 75 13.753 -6.231 3.806 589 2HB LYS 75 2HB LYS 75 13.359 -5.100 5.086 590 1HG LYS 75 1HG LYS 75 12.710 -7.497 6.297 591 2HG LYS 75 2HG LYS 75 14.031 -8.000 5.259 592 1HD LYS 75 1HD LYS 75 15.124 -5.715 6.268 593 2HD LYS 75 2HD LYS 75 14.060 -6.121 7.599 594 1HE LYS 75 1HE LYS 75 15.147 -8.586 7.136 595 2HE LYS 75 2HE LYS 75 16.471 -7.585 6.577 596 1HZ LYS 75 1HZ LYS 75 16.690 -6.624 8.643 597 2HZ LYS 75 2HZ LYS 75 15.190 -7.035 9.143 598 3HZ LYS 75 3HZ LYS 75 16.353 -8.177 9.023 599 HA PRO 76 HA PRO 76 9.848 -9.360 2.470 600 1HB PRO 76 1HB PRO 76 8.574 -8.476 0.220 601 2HB PRO 76 2HB PRO 76 7.795 -8.573 1.787 602 1HG PRO 76 1HG PRO 76 8.769 -6.182 0.346 603 2HG PRO 76 2HG PRO 76 7.633 -6.275 1.677 604 1HD PRO 76 1HD PRO 76 10.383 -5.473 1.819 605 2HD PRO 76 2HD PRO 76 9.278 -5.677 3.166 606 H ASN 77 H ASN 77 9.941 -10.600 0.287 607 HA ASN 77 HA ASN 77 12.537 -10.910 -0.306 608 1HB ASN 77 1HB ASN 77 10.343 -11.181 -2.416 609 2HB ASN 77 2HB ASN 77 11.806 -12.135 -2.283 610 1HD2 ASN 77 1HD2 ASN 77 8.697 -11.397 -0.832 611 2HD2 ASN 77 2HD2 ASN 77 8.500 -12.860 0.074 612 H LYS 78 H LYS 78 14.059 -9.784 -1.571 613 HA LYS 78 HA LYS 78 13.190 -7.295 -2.736 614 1HB LYS 78 1HB LYS 78 15.504 -8.196 -1.455 615 2HB LYS 78 2HB LYS 78 15.991 -8.009 -3.127 616 1HG LYS 78 1HG LYS 78 14.299 -5.804 -2.007 617 2HG LYS 78 2HG LYS 78 15.912 -5.942 -1.337 618 1HD LYS 78 1HD LYS 78 15.399 -5.905 -4.343 619 2HD LYS 78 2HD LYS 78 15.643 -4.435 -3.420 620 1HE LYS 78 1HE LYS 78 17.877 -5.163 -2.720 621 2HE LYS 78 2HE LYS 78 17.630 -6.754 -3.412 622 1HZ LYS 78 1HZ LYS 78 17.484 -4.331 -5.050 623 2HZ LYS 78 2HZ LYS 78 18.895 -5.108 -4.782 624 3HZ LYS 78 3HZ LYS 78 17.675 -5.874 -5.549 625 H ARG 79 H ARG 79 11.889 -7.903 -4.515 626 HA ARG 79 HA ARG 79 13.245 -9.509 -6.506 627 1HB ARG 79 1HB ARG 79 10.340 -8.703 -6.071 628 2HB ARG 79 2HB ARG 79 10.862 -9.356 -7.612 629 1HG ARG 79 1HG ARG 79 11.566 -10.821 -5.051 630 2HG ARG 79 2HG ARG 79 9.957 -10.984 -5.727 631 1HD ARG 79 1HD ARG 79 10.859 -11.830 -7.847 632 2HD ARG 79 2HD ARG 79 12.501 -11.487 -7.341 633 HE ARG 79 HE ARG 79 12.498 -13.441 -6.042 634 1HH1 ARG 79 2HH2 ARG 79 9.197 -12.641 -6.960 635 2HH1 ARG 79 1HH2 ARG 79 8.536 -14.130 -6.370 636 1HH2 ARG 79 2HH1 ARG 79 11.628 -15.406 -5.265 637 2HH2 ARG 79 1HH1 ARG 79 9.929 -15.712 -5.399 638 H LYS 80 H LYS 80 12.134 -8.655 -8.888 639 HA LYS 80 HA LYS 80 13.535 -6.246 -9.353 640 1HB LYS 80 1HB LYS 80 12.578 -8.389 -10.872 641 2HB LYS 80 2HB LYS 80 11.655 -7.014 -11.444 642 1HG LYS 80 1HG LYS 80 14.641 -6.711 -11.047 643 2HG LYS 80 2HG LYS 80 14.056 -7.555 -12.466 644 1HD LYS 80 1HD LYS 80 13.413 -5.616 -13.469 645 2HD LYS 80 2HD LYS 80 12.541 -5.083 -12.046 646 1HE LYS 80 1HE LYS 80 14.953 -4.583 -11.068 647 2HE LYS 80 2HE LYS 80 15.459 -4.642 -12.745 648 1HZ LYS 80 1HZ LYS 80 13.926 -2.926 -13.264 649 2HZ LYS 80 2HZ LYS 80 13.268 -2.948 -11.768 650 3HZ LYS 80 3HZ LYS 80 14.802 -2.428 -11.978 651 H GLY 81 H GLY 81 10.028 -7.124 -9.168 652 1HA GLY 81 1HA GLY 81 9.131 -4.461 -9.651 653 2HA GLY 81 2HA GLY 81 8.189 -5.817 -9.062 654 H PHE 82 H PHE 82 10.735 -5.885 -6.988 655 HA PHE 82 HA PHE 82 9.231 -4.525 -4.954 656 1HB PHE 82 1HB PHE 82 10.367 -6.702 -4.549 657 2HB PHE 82 2HB PHE 82 11.893 -6.056 -5.119 658 HD1 PHE 82 1HD PHE 82 10.053 -6.855 -2.272 659 HD2 PHE 82 2HD PHE 82 12.718 -3.907 -3.760 660 HE1 PHE 82 1HE PHE 82 10.661 -6.218 0.078 661 HE2 PHE 82 2HE PHE 82 13.326 -3.270 -1.409 662 HZ PHE 82 HZ PHE 82 12.291 -4.432 0.482 663 H SER 83 H SER 83 12.485 -4.217 -6.525 664 HA SER 83 HA SER 83 13.234 -2.017 -4.989 665 1HB SER 83 1HB SER 83 14.309 -3.601 -7.157 666 2HB SER 83 2HB SER 83 14.526 -1.907 -7.551 667 HG SER 83 HG SER 83 15.715 -3.450 -5.518 668 H GLU 84 H GLU 84 11.960 -2.299 -8.386 669 HA GLU 84 HA GLU 84 11.821 0.487 -8.708 670 1HB GLU 84 1HB GLU 84 11.051 0.017 -10.859 671 2HB GLU 84 2HB GLU 84 11.906 -1.465 -10.478 672 1HG GLU 84 1HG GLU 84 9.728 -2.487 -9.711 673 2HG GLU 84 2HG GLU 84 8.898 -1.020 -10.183 674 H GLY 85 H GLY 85 9.717 -1.959 -7.291 675 1HA GLY 85 1HA GLY 85 7.260 -0.548 -7.522 676 2HA GLY 85 2HA GLY 85 7.629 -1.881 -6.444 677 H LEU 86 H LEU 86 9.571 -1.043 -4.747 678 HA LEU 86 HA LEU 86 8.204 0.651 -3.008 679 1HB LEU 86 1HB LEU 86 9.601 -0.675 -1.858 680 2HB LEU 86 2HB LEU 86 10.806 -0.719 -3.131 681 HG LEU 86 HG LEU 86 11.632 0.325 -1.058 682 1HD1 LEU 86 1HD1 LEU 86 13.041 1.394 -2.392 683 2HD1 LEU 86 2HD1 LEU 86 11.846 1.343 -3.711 684 3HD1 LEU 86 3HD1 LEU 86 11.867 2.720 -2.582 685 1HD2 LEU 86 1HD2 LEU 86 10.582 2.888 -1.042 686 2HD2 LEU 86 2HD2 LEU 86 9.158 1.851 -1.298 687 3HD2 LEU 86 3HD2 LEU 86 10.211 1.581 0.111 688 H TRP 87 H TRP 87 10.407 1.268 -5.695 689 HA TRP 87 HA TRP 87 10.892 3.989 -4.837 690 1HB TRP 87 1HB TRP 87 12.167 2.114 -6.540 691 2HB TRP 87 2HB TRP 87 11.683 3.468 -7.543 692 HD1 TRP 87 HD TRP 87 12.830 5.896 -6.940 693 HE1 TRP 87 1HE TRP 87 15.045 6.612 -5.699 694 HE3 TRP 87 3HE TRP 87 13.618 1.423 -4.653 695 HZ2 TRP 87 2HZ TRP 87 16.838 5.259 -3.939 696 HZ3 TRP 87 3HZ TRP 87 15.623 1.205 -3.189 697 HH2 TRP 87 HH TRP 87 17.206 3.031 -2.817 698 H GLU 88 H GLU 88 8.597 2.092 -6.683 699 HA GLU 88 HA GLU 88 7.778 4.181 -8.386 700 1HB GLU 88 1HB GLU 88 7.150 1.387 -7.949 701 2HB GLU 88 2HB GLU 88 5.653 2.294 -8.026 702 1HG GLU 88 1HG GLU 88 6.676 3.435 -10.148 703 2HG GLU 88 2HG GLU 88 7.853 2.137 -10.121 704 H ILE 89 H ILE 89 7.144 3.285 -5.052 705 HA ILE 89 HA ILE 89 4.783 5.005 -4.990 706 HB ILE 89 HB ILE 89 4.248 3.032 -3.957 707 1HG1 ILE 89 1HG1 ILE 89 3.900 5.071 -2.500 708 2HG1 ILE 89 2HG1 ILE 89 3.878 3.522 -1.680 709 1HG2 ILE 89 1HG2 ILE 89 5.932 2.078 -2.150 710 2HG2 ILE 89 2HG2 ILE 89 6.096 1.693 -3.879 711 3HG2 ILE 89 3HG2 ILE 89 7.121 2.949 -3.146 712 1HD1 ILE 89 1HD1 ILE 89 5.645 5.777 -1.241 713 2HD1 ILE 89 2HD1 ILE 89 5.506 4.272 -0.301 714 3HD1 ILE 89 3HD1 ILE 89 6.607 4.350 -1.697 715 H GLU 90 H GLU 90 8.088 4.575 -3.620 716 HA GLU 90 HA GLU 90 7.842 6.925 -2.053 717 1HB GLU 90 1HB GLU 90 10.036 4.955 -2.683 718 2HB GLU 90 2HB GLU 90 10.479 6.498 -1.981 719 1HG GLU 90 1HG GLU 90 8.303 5.721 -0.408 720 2HG GLU 90 2HG GLU 90 9.097 4.194 -0.738 721 H ASN 91 H ASN 91 8.907 6.091 -5.324 722 HA ASN 91 HA ASN 91 9.498 8.915 -5.705 723 1HB ASN 91 1HB ASN 91 10.988 6.642 -7.113 724 2HB ASN 91 2HB ASN 91 11.368 8.350 -7.193 725 1HD2 ASN 91 1HD2 ASN 91 10.713 5.909 -4.675 726 2HD2 ASN 91 2HD2 ASN 91 12.056 6.288 -3.650 727 H ASN 92 H ASN 92 7.097 8.693 -6.385 728 HA ASN 92 HA ASN 92 6.355 7.058 -8.481 729 1HB ASN 92 1HB ASN 92 4.386 8.586 -8.675 730 2HB ASN 92 2HB ASN 92 4.729 8.214 -6.998 731 1HD2 ASN 92 1HD2 ASN 92 4.103 9.953 -5.931 732 2HD2 ASN 92 2HD2 ASN 92 4.648 11.576 -6.194 733 HA PRO 93 HA PRO 93 7.904 9.299 -11.918 734 1HB PRO 93 1HB PRO 93 6.181 8.562 -13.907 735 2HB PRO 93 2HB PRO 93 7.502 7.549 -13.358 736 1HG PRO 93 1HG PRO 93 4.609 7.274 -12.820 737 2HG PRO 93 2HG PRO 93 5.875 6.074 -12.652 738 1HD PRO 93 1HD PRO 93 4.614 7.545 -10.538 739 2HD PRO 93 2HD PRO 93 5.958 6.430 -10.383 740 H THR 94 H THR 94 4.372 9.510 -11.929 741 HA THR 94 HA THR 94 4.618 12.396 -11.835 742 HB THR 94 HB THR 94 3.498 10.850 -14.225 743 HG1 THR 94 1HG THR 94 5.395 13.037 -13.729 744 1HG2 THR 94 1HG2 THR 94 3.437 13.693 -14.613 745 2HG2 THR 94 2HG2 THR 94 2.053 12.575 -14.609 746 3HG2 THR 94 3HG2 THR 94 2.563 13.363 -13.097 747 H VAL 95 H VAL 95 3.799 10.812 -9.780 748 HA VAL 95 HA VAL 95 0.895 10.691 -9.963 749 HB VAL 95 HB VAL 95 2.874 9.744 -7.882 750 1HG1 VAL 95 1HG1 VAL 95 -0.126 9.818 -7.910 751 2HG1 VAL 95 2HG1 VAL 95 0.701 8.436 -7.150 752 3HG1 VAL 95 3HG1 VAL 95 1.011 10.089 -6.568 753 1HG2 VAL 95 1HG2 VAL 95 2.720 8.565 -10.164 754 2HG2 VAL 95 2HG2 VAL 95 2.544 7.563 -8.704 755 3HG2 VAL 95 3HG2 VAL 95 1.104 8.034 -9.638 756 H LYS 96 H LYS 96 -0.469 12.091 -8.893 757 HA LYS 96 HA LYS 96 0.877 14.189 -7.338 758 1HB LYS 96 1HB LYS 96 -0.908 15.704 -8.102 759 2HB LYS 96 2HB LYS 96 0.054 15.081 -9.427 760 1HG LYS 96 1HG LYS 96 -1.683 13.806 -10.285 761 2HG LYS 96 2HG LYS 96 -2.360 13.462 -8.706 762 1HD LYS 96 1HD LYS 96 -3.297 15.739 -8.558 763 2HD LYS 96 2HD LYS 96 -2.515 16.197 -10.058 764 1HE LYS 96 1HE LYS 96 -3.961 14.874 -11.381 765 2HE LYS 96 2HE LYS 96 -4.371 13.805 -10.054 766 1HZ LYS 96 1HZ LYS 96 -5.852 15.873 -10.875 767 2HZ LYS 96 2HZ LYS 96 -5.985 15.161 -9.412 768 3HZ LYS 96 3HZ LYS 96 -5.094 16.519 -9.581 769 H ALA 97 H ALA 97 -1.860 11.913 -7.635 770 HA ALA 97 HA ALA 97 -3.074 12.820 -5.203 771 1HB ALA 97 1HB ALA 97 -3.512 10.382 -6.975 772 2HB ALA 97 2HB ALA 97 -4.541 10.830 -5.594 773 3HB ALA 97 3HB ALA 97 -4.433 11.905 -7.008 774 H SER 98 H SER 98 -1.281 12.707 -3.700 775 HA SER 98 HA SER 98 -0.731 9.943 -2.952 776 1HB SER 98 1HB SER 98 1.201 12.286 -2.674 777 2HB SER 98 2HB SER 98 1.532 10.616 -2.260 778 HG SER 98 HG SER 98 1.101 11.744 -4.883 779 H GLY 99 H GLY 99 0.328 10.090 -0.507 780 1HA GLY 99 1HA GLY 99 -0.666 12.161 1.164 781 2HA GLY 99 2HA GLY 99 -1.737 10.775 1.202 782 H TYR 100 H TYR 100 0.616 12.131 2.961 783 HA TYR 100 HA TYR 100 1.764 9.528 3.719 784 1HB TYR 100 1HB TYR 100 3.345 11.844 4.521 785 2HB TYR 100 2HB TYR 100 3.821 10.568 3.420 786 HD1 TYR 100 1HD TYR 100 2.417 10.839 1.016 787 HD2 TYR 100 2HD TYR 100 3.630 13.972 3.665 788 HE1 TYR 100 1HE TYR 100 2.372 12.496 -0.912 789 HE2 TYR 100 2HE TYR 100 3.582 15.619 1.728 790 HH TYR 100 HH TYR 100 2.142 15.584 -0.627 Start of MODEL 12 1 H MET 1 H MET 1 5.188 24.986 6.925 2 HA MET 1 HA MET 1 6.546 23.629 9.040 3 1HB MET 1 1HB MET 1 3.804 24.759 8.489 4 2HB MET 1 2HB MET 1 3.881 23.471 9.678 5 1HG MET 1 1HG MET 1 4.204 25.387 11.014 6 2HG MET 1 2HG MET 1 5.852 24.862 10.735 7 1HE MET 1 1HE MET 1 5.143 28.622 11.011 8 2HE MET 1 2HE MET 1 5.744 27.139 11.792 9 3HE MET 1 3HE MET 1 6.834 28.117 10.780 10 H SER 2 H SER 2 5.424 21.569 9.998 11 HA SER 2 HA SER 2 5.376 19.677 7.864 12 1HB SER 2 1HB SER 2 6.236 19.606 10.486 13 2HB SER 2 2HB SER 2 4.707 18.761 10.614 14 HG SER 2 HG SER 2 6.139 17.153 10.090 15 H ARG 3 H ARG 3 3.603 18.108 7.522 16 HA ARG 3 HA ARG 3 1.095 19.419 7.768 17 1HB ARG 3 1HB ARG 3 0.245 17.554 6.391 18 2HB ARG 3 2HB ARG 3 1.747 18.149 5.711 19 1HG ARG 3 1HG ARG 3 2.785 16.255 7.350 20 2HG ARG 3 2HG ARG 3 1.196 15.550 7.126 21 1HD ARG 3 1HD ARG 3 2.542 16.540 4.635 22 2HD ARG 3 2HD ARG 3 3.282 15.148 5.399 23 HE ARG 3 HE ARG 3 0.773 15.177 3.965 24 1HH1 ARG 3 2HH2 ARG 3 2.391 13.660 6.698 25 2HH1 ARG 3 1HH2 ARG 3 1.436 12.215 6.624 26 1HH2 ARG 3 2HH1 ARG 3 -0.488 13.273 3.869 27 2HH2 ARG 3 1HH1 ARG 3 -0.212 11.995 5.005 28 H SER 4 H SER 4 -0.899 17.967 8.457 29 HA SER 4 HA SER 4 -0.145 16.770 10.991 30 1HB SER 4 1HB SER 4 -1.940 18.709 10.601 31 2HB SER 4 2HB SER 4 -3.000 17.367 10.220 32 HG SER 4 HG SER 4 -3.279 17.380 12.364 33 H ASN 5 H ASN 5 0.028 14.560 10.970 34 HA ASN 5 HA ASN 5 -1.791 13.157 9.172 35 1HB ASN 5 1HB ASN 5 -0.085 11.366 9.042 36 2HB ASN 5 2HB ASN 5 0.635 12.897 8.585 37 1HD2 ASN 5 1HD2 ASN 5 1.163 10.177 10.247 38 2HD2 ASN 5 2HD2 ASN 5 2.270 10.705 11.469 39 H ARG 6 H ARG 6 -1.510 10.548 10.188 40 HA ARG 6 HA ARG 6 -2.771 10.876 12.746 41 1HB ARG 6 1HB ARG 6 -3.579 8.620 12.447 42 2HB ARG 6 2HB ARG 6 -3.700 9.390 10.876 43 1HG ARG 6 1HG ARG 6 -1.065 8.291 11.011 44 2HG ARG 6 2HG ARG 6 -2.135 7.058 11.651 45 1HD ARG 6 1HD ARG 6 -3.391 6.912 9.637 46 2HD ARG 6 2HD ARG 6 -2.888 8.500 9.089 47 HE ARG 6 HE ARG 6 -1.347 5.991 8.864 48 1HH1 ARG 6 2HH2 ARG 6 -1.306 9.502 8.620 49 2HH1 ARG 6 1HH2 ARG 6 0.113 9.543 7.628 50 1HH2 ARG 6 2HH1 ARG 6 0.526 6.047 7.554 51 2HH2 ARG 6 1HH1 ARG 6 1.162 7.565 7.017 52 H GLN 7 H GLN 7 -2.227 8.604 14.170 53 HA GLN 7 HA GLN 7 0.604 8.926 14.680 54 1HB GLN 7 1HB GLN 7 -0.737 7.228 16.609 55 2HB GLN 7 2HB GLN 7 0.027 8.786 16.858 56 1HG GLN 7 1HG GLN 7 -2.186 9.285 17.431 57 2HG GLN 7 2HG GLN 7 -2.166 9.762 15.744 58 1HE2 GLN 7 1HE2 GLN 7 -3.930 9.201 14.745 59 2HE2 GLN 7 2HE2 GLN 7 -4.821 7.724 14.921 60 H LYS 8 H LYS 8 -1.598 6.093 15.199 61 HA LYS 8 HA LYS 8 0.328 4.500 13.652 62 1HB LYS 8 1HB LYS 8 -0.557 2.626 15.260 63 2HB LYS 8 2HB LYS 8 0.732 3.702 15.762 64 1HG LYS 8 1HG LYS 8 -0.810 3.668 17.595 65 2HG LYS 8 2HG LYS 8 -1.071 5.208 16.803 66 1HD LYS 8 1HD LYS 8 -3.265 4.657 16.632 67 2HD LYS 8 2HD LYS 8 -2.806 3.460 15.437 68 1HE LYS 8 1HE LYS 8 -3.375 1.779 16.850 69 2HE LYS 8 2HE LYS 8 -2.242 2.364 18.052 70 1HZ LYS 8 1HZ LYS 8 -4.688 2.311 18.636 71 2HZ LYS 8 2HZ LYS 8 -3.861 3.666 19.020 72 3HZ LYS 8 3HZ LYS 8 -4.844 3.651 17.715 73 H GLU 9 H GLU 9 -2.787 5.811 13.816 74 HA GLU 9 HA GLU 9 -4.201 3.583 12.813 75 1HB GLU 9 1HB GLU 9 -6.070 4.984 12.834 76 2HB GLU 9 2HB GLU 9 -5.064 5.735 14.054 77 1HG GLU 9 1HG GLU 9 -5.253 7.663 12.868 78 2HG GLU 9 2HG GLU 9 -4.175 6.943 11.689 79 H TYR 10 H TYR 10 -5.549 4.057 10.605 80 HA TYR 10 HA TYR 10 -3.814 5.257 8.606 81 1HB TYR 10 1HB TYR 10 -3.757 3.135 7.344 82 2HB TYR 10 2HB TYR 10 -3.228 2.768 8.974 83 HD1 TYR 10 1HD TYR 10 -5.349 1.753 6.371 84 HD2 TYR 10 2HD TYR 10 -5.214 2.067 10.636 85 HE1 TYR 10 1HE TYR 10 -7.160 -0.021 6.568 86 HE2 TYR 10 2HE TYR 10 -7.027 0.291 10.817 87 HH TYR 10 HH TYR 10 -8.049 -1.355 9.674 88 H LYS 11 H LYS 11 -5.007 6.333 7.099 89 HA LYS 11 HA LYS 11 -7.757 5.433 6.680 90 1HB LYS 11 1HB LYS 11 -6.868 8.083 7.737 91 2HB LYS 11 2HB LYS 11 -8.188 8.066 6.587 92 1HG LYS 11 1HG LYS 11 -8.482 5.957 8.626 93 2HG LYS 11 2HG LYS 11 -8.374 7.550 9.348 94 1HD LYS 11 1HD LYS 11 -10.669 7.429 8.932 95 2HD LYS 11 2HD LYS 11 -10.125 8.227 7.471 96 1HE LYS 11 1HE LYS 11 -9.880 5.795 6.493 97 2HE LYS 11 2HE LYS 11 -10.889 5.310 7.842 98 1HZ LYS 11 1HZ LYS 11 -12.581 6.765 7.102 99 2HZ LYS 11 2HZ LYS 11 -11.629 7.437 5.957 100 3HZ LYS 11 3HZ LYS 11 -12.113 5.884 5.808 101 H CYS 12 H CYS 12 -8.669 6.906 4.720 102 HA CYS 12 HA CYS 12 -7.437 6.106 2.482 103 1HB CYS 12 1HB CYS 12 -9.702 7.234 2.720 104 2HB CYS 12 2HB CYS 12 -8.865 8.774 2.672 105 HG CYS 12 HG CYS 12 -7.476 7.200 0.463 106 H GLY 13 H GLY 13 -5.662 6.747 1.233 107 1HA GLY 13 1HA GLY 13 -4.055 8.217 0.457 108 2HA GLY 13 2HA GLY 13 -4.402 9.323 1.772 109 H ASP 14 H ASP 14 -4.332 6.354 3.267 110 HA ASP 14 HA ASP 14 -1.731 6.879 4.287 111 1HB ASP 14 1HB ASP 14 -3.568 6.106 5.756 112 2HB ASP 14 2HB ASP 14 -3.739 4.639 4.815 113 H LEU 15 H LEU 15 0.144 5.528 3.981 114 HA LEU 15 HA LEU 15 -0.163 3.530 1.852 115 1HB LEU 15 1HB LEU 15 1.175 5.319 1.088 116 2HB LEU 15 2HB LEU 15 2.088 5.390 2.583 117 HG LEU 15 HG LEU 15 3.279 4.408 0.583 118 1HD1 LEU 15 1HD1 LEU 15 4.648 3.287 1.969 119 2HD1 LEU 15 2HD1 LEU 15 3.553 3.892 3.236 120 3HD1 LEU 15 3HD1 LEU 15 3.348 2.245 2.591 121 1HD2 LEU 15 1HD2 LEU 15 0.971 2.845 0.375 122 2HD2 LEU 15 2HD2 LEU 15 2.480 2.675 -0.554 123 3HD2 LEU 15 3HD2 LEU 15 2.238 1.725 0.931 124 H VAL 16 H VAL 16 0.727 1.460 2.124 125 HA VAL 16 HA VAL 16 2.307 0.855 4.413 126 HB VAL 16 HB VAL 16 0.402 -0.886 5.075 127 1HG1 VAL 16 1HG1 VAL 16 0.156 1.924 6.141 128 2HG1 VAL 16 2HG1 VAL 16 0.059 0.375 7.012 129 3HG1 VAL 16 3HG1 VAL 16 1.630 0.965 6.418 130 1HG2 VAL 16 1HG2 VAL 16 -1.069 0.299 3.254 131 2HG2 VAL 16 2HG2 VAL 16 -1.787 -0.180 4.810 132 3HG2 VAL 16 3HG2 VAL 16 -1.323 1.515 4.528 133 H PHE 17 H PHE 17 2.359 -1.767 4.545 134 HA PHE 17 HA PHE 17 2.918 -2.541 1.802 135 1HB PHE 17 1HB PHE 17 3.600 -3.430 4.635 136 2HB PHE 17 2HB PHE 17 3.785 -4.602 3.345 137 HD1 PHE 17 1HD PHE 17 5.106 -1.559 4.837 138 HD2 PHE 17 2HD PHE 17 5.461 -4.257 1.581 139 HE1 PHE 17 1HE PHE 17 7.368 -0.613 4.301 140 HE2 PHE 17 2HE PHE 17 7.723 -3.310 1.044 141 HZ PHE 17 HZ PHE 17 8.649 -1.501 2.412 142 H ALA 18 H ALA 18 1.317 -3.532 0.668 143 HA ALA 18 HA ALA 18 -0.627 -5.110 2.178 144 1HB ALA 18 1HB ALA 18 -1.153 -3.185 0.460 145 2HB ALA 18 2HB ALA 18 -0.826 -4.443 -0.757 146 3HB ALA 18 3HB ALA 18 -2.123 -4.679 0.440 147 H LYS 19 H LYS 19 -0.733 -7.318 2.005 148 HA LYS 19 HA LYS 19 1.188 -8.524 0.144 149 1HB LYS 19 1HB LYS 19 1.215 -8.765 2.816 150 2HB LYS 19 2HB LYS 19 0.087 -10.057 2.456 151 1HG LYS 19 1HG LYS 19 1.669 -11.316 1.283 152 2HG LYS 19 2HG LYS 19 2.579 -9.907 0.773 153 1HD LYS 19 1HD LYS 19 3.729 -9.728 2.824 154 2HD LYS 19 2HD LYS 19 2.479 -10.566 3.722 155 1HE LYS 19 1HE LYS 19 3.162 -12.616 2.134 156 2HE LYS 19 2HE LYS 19 4.661 -11.720 1.977 157 1HZ LYS 19 1HZ LYS 19 3.480 -12.308 4.594 158 2HZ LYS 19 2HZ LYS 19 4.514 -13.336 3.856 159 3HZ LYS 19 3HZ LYS 19 5.008 -11.834 4.266 160 H MET 20 H MET 20 0.531 -10.278 -1.174 161 HA MET 20 HA MET 20 -2.347 -10.735 -1.158 162 1HB MET 20 1HB MET 20 -1.477 -9.152 -3.021 163 2HB MET 20 2HB MET 20 -0.592 -10.522 -3.662 164 1HG MET 20 1HG MET 20 -2.465 -11.407 -4.620 165 2HG MET 20 2HG MET 20 -3.391 -11.242 -3.141 166 1HE MET 20 1HE MET 20 -4.807 -10.219 -6.356 167 2HE MET 20 2HE MET 20 -5.086 -11.132 -4.854 168 3HE MET 20 3HE MET 20 -5.889 -9.562 -5.105 169 H LYS 21 H LYS 21 -3.021 -12.838 -2.073 170 HA LYS 21 HA LYS 21 -1.445 -14.932 -1.178 171 1HB LYS 21 1HB LYS 21 -3.931 -14.921 -1.543 172 2HB LYS 21 2HB LYS 21 -3.640 -15.054 -3.266 173 1HG LYS 21 1HG LYS 21 -2.162 -17.028 -1.575 174 2HG LYS 21 2HG LYS 21 -3.906 -17.209 -1.579 175 1HD LYS 21 1HD LYS 21 -3.774 -17.080 -4.163 176 2HD LYS 21 2HD LYS 21 -2.038 -17.254 -3.986 177 1HE LYS 21 1HE LYS 21 -2.290 -19.422 -2.884 178 2HE LYS 21 2HE LYS 21 -4.027 -19.224 -2.769 179 1HZ LYS 21 1HZ LYS 21 -2.845 -20.495 -4.740 180 2HZ LYS 21 2HZ LYS 21 -4.288 -19.754 -4.913 181 3HZ LYS 21 3HZ LYS 21 -2.923 -19.012 -5.418 182 H GLY 22 H GLY 22 0.369 -15.859 -1.951 183 1HA GLY 22 1HA GLY 22 1.719 -16.807 -3.550 184 2HA GLY 22 2HA GLY 22 0.765 -16.074 -4.823 185 H TYR 23 H TYR 23 0.932 -13.402 -3.169 186 HA TYR 23 HA TYR 23 3.607 -12.693 -4.167 187 1HB TYR 23 1HB TYR 23 1.126 -11.754 -4.891 188 2HB TYR 23 2HB TYR 23 1.381 -10.737 -3.487 189 HD1 TYR 23 1HD TYR 23 1.672 -8.601 -4.428 190 HD2 TYR 23 2HD TYR 23 3.934 -11.892 -5.959 191 HE1 TYR 23 1HE TYR 23 3.053 -7.002 -5.843 192 HE2 TYR 23 2HE TYR 23 5.309 -10.284 -7.369 193 HH TYR 23 HH TYR 23 5.616 -8.240 -7.977 194 HA PRO 24 HA PRO 24 4.580 -11.785 -0.030 195 1HB PRO 24 1HB PRO 24 7.026 -10.632 -0.428 196 2HB PRO 24 2HB PRO 24 6.786 -12.366 -0.351 197 1HG PRO 24 1HG PRO 24 7.281 -10.667 -2.720 198 2HG PRO 24 2HG PRO 24 7.460 -12.402 -2.556 199 1HD PRO 24 1HD PRO 24 5.317 -11.012 -3.861 200 2HD PRO 24 2HD PRO 24 5.438 -12.739 -3.597 201 H HIS 25 H HIS 25 5.266 -9.951 1.452 202 HA HIS 25 HA HIS 25 3.466 -7.960 1.256 203 1HB HIS 25 1HB HIS 25 5.756 -8.568 2.840 204 2HB HIS 25 2HB HIS 25 5.851 -6.871 2.417 205 HD1 HIS 25 1HD HIS 25 5.144 -8.160 5.308 206 HD2 HIS 25 2HD HIS 25 2.472 -6.392 2.600 207 HE1 HIS 25 1HE HIS 25 3.135 -7.395 6.682 208 H TRP 26 H TRP 26 3.056 -6.449 -0.271 209 HA TRP 26 HA TRP 26 5.383 -5.356 -1.703 210 1HB TRP 26 1HB TRP 26 3.325 -6.851 -2.788 211 2HB TRP 26 2HB TRP 26 2.824 -5.202 -3.104 212 HD1 TRP 26 HD TRP 26 4.378 -3.769 -4.827 213 HE1 TRP 26 1HE TRP 26 6.190 -4.387 -6.642 214 HE3 TRP 26 3HE TRP 26 5.167 -8.514 -3.182 215 HZ2 TRP 26 2HZ TRP 26 7.716 -6.739 -7.175 216 HZ3 TRP 26 3HZ TRP 26 6.835 -9.906 -4.406 217 HH2 TRP 26 HH TRP 26 8.089 -9.088 -6.338 218 HA PRO 27 HA PRO 27 3.896 -1.571 -0.170 219 1HB PRO 27 1HB PRO 27 5.204 0.178 -1.811 220 2HB PRO 27 2HB PRO 27 5.958 -0.579 -0.424 221 1HG PRO 27 1HG PRO 27 6.321 -1.190 -3.293 222 2HG PRO 27 2HG PRO 27 7.348 -1.620 -1.941 223 1HD PRO 27 1HD PRO 27 5.529 -3.347 -3.331 224 2HD PRO 27 2HD PRO 27 6.471 -3.745 -1.907 225 H ALA 28 H ALA 28 1.766 -1.210 -0.292 226 HA ALA 28 HA ALA 28 0.911 -0.155 -2.894 227 1HB ALA 28 1HB ALA 28 0.224 -2.557 -2.551 228 2HB ALA 28 2HB ALA 28 -0.704 -2.032 -1.126 229 3HB ALA 28 3HB ALA 28 -1.139 -1.428 -2.743 230 H ARG 29 H ARG 29 -1.135 1.180 -2.683 231 HA ARG 29 HA ARG 29 -0.951 2.622 -0.173 232 1HB ARG 29 1HB ARG 29 -2.186 4.443 -1.500 233 2HB ARG 29 2HB ARG 29 -0.564 4.081 -2.053 234 1HG ARG 29 1HG ARG 29 -1.411 2.701 -3.881 235 2HG ARG 29 2HG ARG 29 -3.045 2.770 -3.251 236 1HD ARG 29 1HD ARG 29 -1.622 5.358 -3.925 237 2HD ARG 29 2HD ARG 29 -2.293 4.395 -5.225 238 HE ARG 29 HE ARG 29 -4.325 4.587 -3.274 239 1HH1 ARG 29 2HH2 ARG 29 -2.501 6.783 -5.334 240 2HH1 ARG 29 1HH2 ARG 29 -3.772 7.956 -5.426 241 1HH2 ARG 29 2HH1 ARG 29 -6.002 6.134 -3.398 242 2HH2 ARG 29 1HH1 ARG 29 -5.778 7.585 -4.318 243 H ILE 30 H ILE 30 -3.035 3.462 0.784 244 HA ILE 30 HA ILE 30 -5.041 1.400 0.645 245 HB ILE 30 HB ILE 30 -4.020 2.864 2.667 246 1HG1 ILE 30 1HG1 ILE 30 -5.550 0.758 2.554 247 2HG1 ILE 30 2HG1 ILE 30 -5.496 1.723 4.016 248 1HG2 ILE 30 1HG2 ILE 30 -4.969 4.965 2.012 249 2HG2 ILE 30 2HG2 ILE 30 -6.589 4.246 1.854 250 3HG2 ILE 30 3HG2 ILE 30 -5.830 4.387 3.459 251 1HD1 ILE 30 1HD1 ILE 30 -7.826 1.020 2.886 252 2HD1 ILE 30 2HD1 ILE 30 -7.631 2.588 3.707 253 3HD1 ILE 30 3HD1 ILE 30 -7.525 2.493 1.932 254 H ASP 31 H ASP 31 -7.284 1.759 0.139 255 HA ASP 31 HA ASP 31 -7.964 4.283 -1.008 256 1HB ASP 31 1HB ASP 31 -7.456 1.814 -2.647 257 2HB ASP 31 2HB ASP 31 -8.863 2.764 -3.079 258 H GLU 32 H GLU 32 -10.347 4.430 -1.304 259 HA GLU 32 HA GLU 32 -11.694 2.367 0.227 260 1HB GLU 32 1HB GLU 32 -12.291 5.270 -0.390 261 2HB GLU 32 2HB GLU 32 -13.590 4.207 0.114 262 1HG GLU 32 1HG GLU 32 -12.101 3.542 2.116 263 2HG GLU 32 2HG GLU 32 -11.042 4.860 1.657 264 H MET 33 H MET 33 -13.796 1.518 -0.520 265 HA MET 33 HA MET 33 -13.698 0.982 -3.292 266 1HB MET 33 1HB MET 33 -15.895 -0.263 -2.700 267 2HB MET 33 2HB MET 33 -14.471 -0.776 -1.817 268 1HG MET 33 1HG MET 33 -15.355 -0.120 0.178 269 2HG MET 33 2HG MET 33 -15.786 1.460 -0.446 270 1HE MET 33 1HE MET 33 -19.239 0.446 0.888 271 2HE MET 33 2HE MET 33 -17.657 0.143 1.648 272 3HE MET 33 3HE MET 33 -17.960 1.682 0.806 273 HA PRO 34 HA PRO 34 -16.242 4.424 -4.311 274 1HB PRO 34 1HB PRO 34 -15.929 4.278 -7.022 275 2HB PRO 34 2HB PRO 34 -14.813 5.132 -5.973 276 1HG PRO 34 1HG PRO 34 -14.467 2.517 -7.310 277 2HG PRO 34 2HG PRO 34 -13.246 3.571 -6.624 278 1HD PRO 34 1HD PRO 34 -14.283 1.161 -5.463 279 2HD PRO 34 2HD PRO 34 -13.148 2.276 -4.729 280 H GLU 35 H GLU 35 -18.113 4.892 -5.927 281 HA GLU 35 HA GLU 35 -19.511 2.417 -6.425 282 1HB GLU 35 1HB GLU 35 -21.623 3.540 -5.387 283 2HB GLU 35 2HB GLU 35 -20.456 2.805 -4.306 284 1HG GLU 35 1HG GLU 35 -19.387 5.049 -3.949 285 2HG GLU 35 2HG GLU 35 -20.581 5.777 -5.007 286 H ALA 36 H ALA 36 -18.175 4.416 -8.113 287 HA ALA 36 HA ALA 36 -20.462 5.771 -9.342 288 1HB ALA 36 1HB ALA 36 -18.247 6.942 -8.639 289 2HB ALA 36 2HB ALA 36 -17.548 6.143 -10.068 290 3HB ALA 36 3HB ALA 36 -18.905 7.279 -10.259 291 H ALA 37 H ALA 37 -17.395 4.244 -10.555 292 HA ALA 37 HA ALA 37 -18.410 3.587 -13.033 293 1HB ALA 37 1HB ALA 37 -16.114 3.444 -12.933 294 2HB ALA 37 2HB ALA 37 -16.120 2.717 -11.309 295 3HB ALA 37 3HB ALA 37 -16.509 1.720 -12.730 296 H VAL 38 H VAL 38 -18.211 1.583 -10.015 297 HA VAL 38 HA VAL 38 -20.504 0.085 -10.997 298 HB VAL 38 HB VAL 38 -18.572 -1.154 -11.796 299 1HG1 VAL 38 1HG1 VAL 38 -16.948 -0.298 -10.105 300 2HG1 VAL 38 2HG1 VAL 38 -17.694 -1.374 -8.898 301 3HG1 VAL 38 3HG1 VAL 38 -16.882 -2.063 -10.326 302 1HG2 VAL 38 1HG2 VAL 38 -19.217 -3.280 -11.030 303 2HG2 VAL 38 2HG2 VAL 38 -19.630 -2.675 -9.408 304 3HG2 VAL 38 3HG2 VAL 38 -20.668 -2.274 -10.799 305 H LYS 39 H LYS 39 -21.255 -1.471 -9.130 306 HA LYS 39 HA LYS 39 -20.975 0.066 -6.645 307 1HB LYS 39 1HB LYS 39 -23.282 -1.669 -7.576 308 2HB LYS 39 2HB LYS 39 -23.207 -0.781 -6.068 309 1HG LYS 39 1HG LYS 39 -23.968 1.081 -7.110 310 2HG LYS 39 2HG LYS 39 -22.564 1.080 -8.158 311 1HD LYS 39 1HD LYS 39 -24.212 -0.977 -9.188 312 2HD LYS 39 2HD LYS 39 -25.329 0.303 -8.762 313 1HE LYS 39 1HE LYS 39 -23.732 1.918 -10.012 314 2HE LYS 39 2HE LYS 39 -22.930 0.490 -10.632 315 1HZ LYS 39 1HZ LYS 39 -25.519 1.537 -11.278 316 2HZ LYS 39 2HZ LYS 39 -24.483 0.677 -12.201 317 3HZ LYS 39 3HZ LYS 39 -25.458 -0.088 -11.138 318 H SER 40 H SER 40 -19.235 -0.919 -5.646 319 HA SER 40 HA SER 40 -18.883 -3.702 -5.758 320 1HB SER 40 1HB SER 40 -17.545 -1.370 -4.544 321 2HB SER 40 2HB SER 40 -17.434 -2.802 -3.540 322 HG SER 40 HG SER 40 -15.666 -2.749 -5.010 323 H THR 41 H THR 41 -18.365 -4.659 -3.239 324 HA THR 41 HA THR 41 -20.907 -4.257 -1.800 325 HB THR 41 HB THR 41 -20.952 -6.662 -1.418 326 HG1 THR 41 1HG THR 41 -18.389 -6.590 -2.843 327 1HG2 THR 41 1HG2 THR 41 -20.825 -5.624 -4.113 328 2HG2 THR 41 2HG2 THR 41 -19.962 -7.181 -4.081 329 3HG2 THR 41 3HG2 THR 41 -21.659 -7.091 -3.546 330 H ALA 42 H ALA 42 -20.737 -3.540 0.226 331 HA ALA 42 HA ALA 42 -18.372 -2.780 1.356 332 1HB ALA 42 1HB ALA 42 -19.768 -1.996 2.945 333 2HB ALA 42 2HB ALA 42 -21.088 -2.709 1.987 334 3HB ALA 42 3HB ALA 42 -20.369 -3.627 3.331 335 H ASN 43 H ASN 43 -17.651 -3.700 3.678 336 HA ASN 43 HA ASN 43 -16.918 -5.365 4.911 337 1HB ASN 43 1HB ASN 43 -17.812 -7.452 2.876 338 2HB ASN 43 2HB ASN 43 -17.565 -7.668 4.597 339 1HD2 ASN 43 1HD2 ASN 43 -19.839 -7.519 2.320 340 2HD2 ASN 43 2HD2 ASN 43 -21.196 -6.895 3.195 341 H LYS 44 H LYS 44 -15.447 -3.961 2.852 342 HA LYS 44 HA LYS 44 -13.181 -5.588 2.637 343 1HB LYS 44 1HB LYS 44 -13.079 -6.076 0.299 344 2HB LYS 44 2HB LYS 44 -14.578 -6.737 0.922 345 1HG LYS 44 1HG LYS 44 -15.802 -5.462 -0.500 346 2HG LYS 44 2HG LYS 44 -15.036 -3.995 0.076 347 1HD LYS 44 1HD LYS 44 -13.506 -5.797 -1.812 348 2HD LYS 44 2HD LYS 44 -14.765 -4.767 -2.463 349 1HE LYS 44 1HE LYS 44 -13.280 -3.093 -0.712 350 2HE LYS 44 2HE LYS 44 -12.075 -4.045 -1.556 351 1HZ LYS 44 1HZ LYS 44 -12.639 -2.086 -2.787 352 2HZ LYS 44 2HZ LYS 44 -13.118 -3.400 -3.630 353 3HZ LYS 44 3HZ LYS 44 -14.219 -2.494 -2.835 354 H TYR 45 H TYR 45 -11.396 -4.416 1.479 355 HA TYR 45 HA TYR 45 -12.015 -1.546 1.287 356 1HB TYR 45 1HB TYR 45 -10.317 -3.105 3.079 357 2HB TYR 45 2HB TYR 45 -9.259 -2.172 2.040 358 HD1 TYR 45 1HD TYR 45 -8.392 -0.723 3.747 359 HD2 TYR 45 2HD TYR 45 -12.612 -1.005 3.100 360 HE1 TYR 45 1HE TYR 45 -8.761 1.322 5.212 361 HE2 TYR 45 2HE TYR 45 -12.967 1.039 4.567 362 HH TYR 45 HH TYR 45 -10.203 2.827 5.869 363 H GLN 46 H GLN 46 -10.685 -0.320 -0.197 364 HA GLN 46 HA GLN 46 -9.781 -2.006 -2.356 365 1HB GLN 46 1HB GLN 46 -11.321 -0.171 -2.898 366 2HB GLN 46 2HB GLN 46 -10.244 1.002 -2.168 367 1HG GLN 46 1HG GLN 46 -8.564 0.682 -3.870 368 2HG GLN 46 2HG GLN 46 -9.325 -0.784 -4.457 369 1HE2 GLN 46 1HE2 GLN 46 -8.877 2.419 -5.016 370 2HE2 GLN 46 2HE2 GLN 46 -10.224 2.777 -6.045 371 H VAL 47 H VAL 47 -7.641 -2.306 -2.895 372 HA VAL 47 HA VAL 47 -5.704 -0.538 -1.571 373 HB VAL 47 HB VAL 47 -6.017 -3.470 -1.481 374 1HG1 VAL 47 1HG1 VAL 47 -3.430 -2.175 -2.270 375 2HG1 VAL 47 2HG1 VAL 47 -3.393 -3.547 -1.138 376 3HG1 VAL 47 3HG1 VAL 47 -4.117 -3.744 -2.752 377 1HG2 VAL 47 1HG2 VAL 47 -6.197 -1.941 0.485 378 2HG2 VAL 47 2HG2 VAL 47 -4.965 -3.211 0.679 379 3HG2 VAL 47 3HG2 VAL 47 -4.472 -1.545 0.289 380 H PHE 48 H PHE 48 -4.076 0.246 -2.874 381 HA PHE 48 HA PHE 48 -4.170 -0.694 -5.654 382 1HB PHE 48 1HB PHE 48 -4.411 1.872 -4.385 383 2HB PHE 48 2HB PHE 48 -2.807 1.869 -5.091 384 HD1 PHE 48 1HD PHE 48 -3.595 0.033 -7.468 385 HD2 PHE 48 2HD PHE 48 -5.310 3.552 -5.830 386 HE1 PHE 48 1HE PHE 48 -4.580 0.595 -9.706 387 HE2 PHE 48 2HE PHE 48 -6.295 4.113 -8.069 388 HZ PHE 48 HZ PHE 48 -5.919 2.628 -9.981 389 H PHE 49 H PHE 49 -2.525 -2.151 -5.939 390 HA PHE 49 HA PHE 49 -0.118 -1.949 -4.432 391 1HB PHE 49 1HB PHE 49 -1.428 -3.663 -6.535 392 2HB PHE 49 2HB PHE 49 0.324 -3.702 -6.555 393 HD1 PHE 49 1HD PHE 49 -2.501 -3.994 -4.130 394 HD2 PHE 49 2HD PHE 49 1.394 -5.264 -5.235 395 HE1 PHE 49 1HE PHE 49 -2.519 -5.673 -2.265 396 HE2 PHE 49 2HE PHE 49 1.376 -6.943 -3.370 397 HZ PHE 49 HZ PHE 49 -0.579 -7.128 -1.906 398 H PHE 50 H PHE 50 1.583 -0.634 -4.871 399 HA PHE 50 HA PHE 50 1.665 0.848 -7.279 400 1HB PHE 50 1HB PHE 50 3.518 0.313 -4.894 401 2HB PHE 50 2HB PHE 50 4.029 1.370 -6.196 402 HD1 PHE 50 1HD PHE 50 2.363 1.211 -3.097 403 HD2 PHE 50 2HD PHE 50 2.391 3.330 -6.773 404 HE1 PHE 50 1HE PHE 50 1.190 3.138 -1.995 405 HE2 PHE 50 2HE PHE 50 1.218 5.257 -5.672 406 HZ PHE 50 HZ PHE 50 0.632 5.138 -3.297 407 H GLY 51 H GLY 51 3.239 -2.131 -6.078 408 1HA GLY 51 1HA GLY 51 5.356 -2.313 -7.868 409 2HA GLY 51 2HA GLY 51 4.525 -3.656 -7.106 410 H THR 52 H THR 52 2.039 -3.804 -8.126 411 HA THR 52 HA THR 52 2.556 -4.372 -10.927 412 HB THR 52 HB THR 52 0.343 -5.574 -10.681 413 HG1 THR 52 1HG THR 52 -0.469 -5.505 -8.414 414 1HG2 THR 52 1HG2 THR 52 1.509 -6.516 -8.171 415 2HG2 THR 52 2HG2 THR 52 1.440 -7.348 -9.744 416 3HG2 THR 52 3HG2 THR 52 2.792 -6.249 -9.377 417 H HIS 53 H HIS 53 1.107 -1.892 -8.965 418 HA HIS 53 HA HIS 53 0.121 -0.007 -9.506 419 1HB HIS 53 1HB HIS 53 1.827 0.150 -11.272 420 2HB HIS 53 2HB HIS 53 0.787 -0.732 -12.373 421 HD1 HIS 53 1HD HIS 53 -0.422 0.757 -13.959 422 HD2 HIS 53 2HD HIS 53 0.277 2.635 -10.275 423 HE1 HIS 53 1HE HIS 53 -1.365 3.117 -14.171 424 H GLU 54 H GLU 54 -1.430 -2.317 -8.999 425 HA GLU 54 HA GLU 54 -3.741 -1.649 -10.629 426 1HB GLU 54 1HB GLU 54 -4.388 -4.000 -10.807 427 2HB GLU 54 2HB GLU 54 -2.775 -3.794 -11.462 428 1HG GLU 54 1HG GLU 54 -1.830 -5.130 -9.869 429 2HG GLU 54 2HG GLU 54 -2.723 -4.366 -8.569 430 H THR 55 H THR 55 -5.845 -2.231 -9.532 431 HA THR 55 HA THR 55 -5.526 -1.891 -6.637 432 HB THR 55 HB THR 55 -7.655 -1.201 -8.700 433 HG1 THR 55 1HG THR 55 -7.129 0.862 -7.775 434 1HG2 THR 55 1HG2 THR 55 -8.014 -1.804 -5.795 435 2HG2 THR 55 2HG2 THR 55 -8.608 -0.204 -6.307 436 3HG2 THR 55 3HG2 THR 55 -9.238 -1.678 -7.082 437 H ALA 56 H ALA 56 -5.657 -3.628 -5.378 438 HA ALA 56 HA ALA 56 -7.358 -5.823 -6.348 439 1HB ALA 56 1HB ALA 56 -5.765 -7.318 -5.670 440 2HB ALA 56 2HB ALA 56 -4.682 -5.926 -5.913 441 3HB ALA 56 3HB ALA 56 -5.269 -6.322 -4.280 442 H PHE 57 H PHE 57 -8.871 -6.726 -4.918 443 HA PHE 57 HA PHE 57 -9.719 -4.972 -2.844 444 1HB PHE 57 1HB PHE 57 -10.556 -7.862 -3.460 445 2HB PHE 57 2HB PHE 57 -11.549 -6.634 -2.700 446 HD1 PHE 57 1HD PHE 57 -10.864 -4.355 -4.601 447 HD2 PHE 57 2HD PHE 57 -11.946 -8.400 -5.292 448 HE1 PHE 57 1HE PHE 57 -11.800 -3.721 -6.842 449 HE2 PHE 57 2HE PHE 57 -12.881 -7.767 -7.533 450 HZ PHE 57 HZ PHE 57 -12.798 -5.435 -8.282 451 H LEU 58 H LEU 58 -8.609 -4.869 -0.936 452 HA LEU 58 HA LEU 58 -8.138 -7.413 0.414 453 1HB LEU 58 1HB LEU 58 -6.084 -5.309 -0.203 454 2HB LEU 58 2HB LEU 58 -5.929 -6.331 1.212 455 HG LEU 58 HG LEU 58 -5.990 -7.217 -1.681 456 1HD1 LEU 58 1HD1 LEU 58 -3.760 -7.938 0.133 457 2HD1 LEU 58 2HD1 LEU 58 -3.748 -7.468 -1.584 458 3HD1 LEU 58 3HD1 LEU 58 -3.889 -6.222 -0.321 459 1HD2 LEU 58 1HD2 LEU 58 -6.861 -9.141 -0.970 460 2HD2 LEU 58 2HD2 LEU 58 -5.300 -9.428 -0.163 461 3HD2 LEU 58 3HD2 LEU 58 -6.648 -8.701 0.742 462 H GLY 59 H GLY 59 -7.465 -6.866 2.828 463 1HA GLY 59 1HA GLY 59 -9.140 -4.589 3.705 464 2HA GLY 59 2HA GLY 59 -9.167 -6.161 4.481 465 HA PRO 60 HA PRO 60 -6.047 -3.795 6.715 466 1HB PRO 60 1HB PRO 60 -6.903 -4.403 9.238 467 2HB PRO 60 2HB PRO 60 -7.412 -2.966 8.374 468 1HG PRO 60 1HG PRO 60 -8.927 -5.452 8.892 469 2HG PRO 60 2HG PRO 60 -9.531 -3.876 8.422 470 1HD PRO 60 1HD PRO 60 -9.233 -6.175 6.732 471 2HD PRO 60 2HD PRO 60 -9.727 -4.568 6.237 472 H LYS 61 H LYS 61 -7.155 -7.055 6.987 473 HA LYS 61 HA LYS 61 -4.870 -7.934 8.430 474 1HB LYS 61 1HB LYS 61 -7.003 -9.104 8.565 475 2HB LYS 61 2HB LYS 61 -6.972 -9.437 6.844 476 1HG LYS 61 1HG LYS 61 -5.731 -11.299 7.203 477 2HG LYS 61 2HG LYS 61 -4.462 -10.334 7.933 478 1HD LYS 61 1HD LYS 61 -5.743 -10.395 10.122 479 2HD LYS 61 2HD LYS 61 -6.905 -11.471 9.370 480 1HE LYS 61 1HE LYS 61 -4.537 -12.750 8.745 481 2HE LYS 61 2HE LYS 61 -4.121 -12.029 10.285 482 1HZ LYS 61 1HZ LYS 61 -5.903 -14.163 9.736 483 2HZ LYS 61 2HZ LYS 61 -5.190 -13.744 11.145 484 3HZ LYS 61 3HZ LYS 61 -6.590 -13.032 10.694 485 H ASP 62 H ASP 62 -5.488 -7.013 5.147 486 HA ASP 62 HA ASP 62 -3.199 -8.570 4.270 487 1HB ASP 62 1HB ASP 62 -5.589 -7.336 2.934 488 2HB ASP 62 2HB ASP 62 -4.108 -7.358 1.998 489 H LEU 63 H LEU 63 -3.606 -5.800 5.853 490 HA LEU 63 HA LEU 63 -1.569 -4.399 4.295 491 1HB LEU 63 1HB LEU 63 -4.296 -3.486 4.890 492 2HB LEU 63 2HB LEU 63 -3.047 -2.345 5.347 493 HG LEU 63 HG LEU 63 -3.517 -3.505 2.588 494 1HD1 LEU 63 1HD1 LEU 63 -5.010 -1.849 2.473 495 2HD1 LEU 63 2HD1 LEU 63 -4.414 -1.084 3.965 496 3HD1 LEU 63 3HD1 LEU 63 -3.608 -0.755 2.412 497 1HD2 LEU 63 1HD2 LEU 63 -1.733 -1.775 1.943 498 2HD2 LEU 63 2HD2 LEU 63 -1.266 -1.812 3.661 499 3HD2 LEU 63 3HD2 LEU 63 -1.192 -3.300 2.686 500 H PHE 64 H PHE 64 0.194 -4.147 5.548 501 HA PHE 64 HA PHE 64 -0.273 -3.998 8.443 502 1HB PHE 64 1HB PHE 64 1.373 -5.652 6.709 503 2HB PHE 64 2HB PHE 64 2.463 -4.626 7.620 504 HD1 PHE 64 1HD PHE 64 -0.741 -6.300 8.564 505 HD2 PHE 64 2HD PHE 64 3.417 -5.885 9.298 506 HE1 PHE 64 1HE PHE 64 -0.936 -7.843 10.535 507 HE2 PHE 64 2HE PHE 64 3.223 -7.428 11.269 508 HZ PHE 64 HZ PHE 64 1.050 -8.389 11.863 509 HA PRO 65 HA PRO 65 1.667 -0.124 8.319 510 1HB PRO 65 1HB PRO 65 2.363 0.173 10.945 511 2HB PRO 65 2HB PRO 65 0.746 0.479 10.342 512 1HG PRO 65 1HG PRO 65 1.735 -1.824 11.907 513 2HG PRO 65 2HG PRO 65 0.085 -1.291 11.664 514 1HD PRO 65 1HD PRO 65 1.377 -3.509 10.385 515 2HD PRO 65 2HD PRO 65 -0.234 -2.904 10.056 516 H TYR 66 H TYR 66 3.708 1.138 8.908 517 HA TYR 66 HA TYR 66 5.867 -0.560 8.048 518 1HB TYR 66 1HB TYR 66 5.816 1.657 7.114 519 2HB TYR 66 2HB TYR 66 5.247 2.366 8.611 520 HD1 TYR 66 1HD TYR 66 6.759 3.348 10.148 521 HD2 TYR 66 2HD TYR 66 8.256 0.894 6.979 522 HE1 TYR 66 1HE TYR 66 9.134 4.073 10.697 523 HE2 TYR 66 2HE TYR 66 10.625 1.627 7.539 524 HH TYR 66 HH TYR 66 11.834 2.468 9.483 525 H GLU 67 H GLU 67 4.916 1.293 10.995 526 HA GLU 67 HA GLU 67 7.231 1.062 12.390 527 1HB GLU 67 1HB GLU 67 4.336 1.324 13.093 528 2HB GLU 67 2HB GLU 67 5.393 0.815 14.396 529 1HG GLU 67 1HG GLU 67 6.612 3.002 12.874 530 2HG GLU 67 2HG GLU 67 5.016 3.458 13.437 531 H GLU 68 H GLU 68 4.462 -1.283 12.275 532 HA GLU 68 HA GLU 68 5.698 -3.105 13.991 533 1HB GLU 68 1HB GLU 68 3.183 -2.821 13.018 534 2HB GLU 68 2HB GLU 68 3.742 -4.084 11.941 535 1HG GLU 68 1HG GLU 68 4.485 -4.564 14.768 536 2HG GLU 68 2HG GLU 68 2.753 -4.470 14.524 537 H SER 69 H SER 69 5.534 -2.792 10.397 538 HA SER 69 HA SER 69 6.723 -5.178 9.776 539 1HB SER 69 1HB SER 69 6.017 -2.724 8.435 540 2HB SER 69 2HB SER 69 7.632 -3.168 7.923 541 HG SER 69 HG SER 69 5.203 -4.345 7.296 542 H LYS 70 H LYS 70 8.224 -1.911 10.310 543 HA LYS 70 HA LYS 70 10.864 -2.892 9.980 544 1HB LYS 70 1HB LYS 70 11.551 -0.680 10.554 545 2HB LYS 70 2HB LYS 70 10.123 -0.545 9.548 546 1HG LYS 70 1HG LYS 70 9.719 0.975 11.333 547 2HG LYS 70 2HG LYS 70 8.757 -0.430 11.745 548 1HD LYS 70 1HD LYS 70 10.087 -0.991 13.552 549 2HD LYS 70 2HD LYS 70 11.566 -0.477 12.765 550 1HE LYS 70 1HE LYS 70 11.090 1.871 13.222 551 2HE LYS 70 2HE LYS 70 9.463 1.501 13.758 552 1HZ LYS 70 1HZ LYS 70 11.977 1.041 15.125 553 2HZ LYS 70 2HZ LYS 70 10.560 1.597 15.718 554 3HZ LYS 70 3HZ LYS 70 10.752 0.002 15.420 555 H GLU 71 H GLU 71 8.525 -3.255 12.442 556 HA GLU 71 HA GLU 71 10.223 -3.087 14.664 557 1HB GLU 71 1HB GLU 71 7.605 -3.081 14.502 558 2HB GLU 71 2HB GLU 71 7.742 -4.828 14.540 559 1HG GLU 71 1HG GLU 71 8.434 -4.873 16.748 560 2HG GLU 71 2HG GLU 71 9.341 -3.379 16.609 561 H LYS 72 H LYS 72 9.013 -5.851 12.652 562 HA LYS 72 HA LYS 72 11.015 -7.540 13.968 563 1HB LYS 72 1HB LYS 72 8.868 -8.492 14.218 564 2HB LYS 72 2HB LYS 72 8.412 -8.141 12.563 565 1HG LYS 72 1HG LYS 72 8.932 -10.444 12.482 566 2HG LYS 72 2HG LYS 72 10.397 -9.696 11.879 567 1HD LYS 72 1HD LYS 72 10.352 -9.975 14.833 568 2HD LYS 72 2HD LYS 72 10.261 -11.509 13.991 569 1HE LYS 72 1HE LYS 72 12.269 -10.723 12.579 570 2HE LYS 72 2HE LYS 72 12.418 -9.371 13.685 571 1HZ LYS 72 1HZ LYS 72 13.553 -10.729 14.971 572 2HZ LYS 72 2HZ LYS 72 12.195 -11.589 15.262 573 3HZ LYS 72 3HZ LYS 72 13.206 -12.038 14.060 574 H PHE 73 H PHE 73 9.493 -7.252 10.676 575 HA PHE 73 HA PHE 73 12.214 -7.300 9.593 576 1HB PHE 73 1HB PHE 73 9.898 -9.159 9.289 577 2HB PHE 73 2HB PHE 73 10.508 -8.602 7.744 578 HD1 PHE 73 1HD PHE 73 12.170 -9.578 10.950 579 HD2 PHE 73 2HD PHE 73 11.826 -10.212 6.768 580 HE1 PHE 73 1HE PHE 73 14.006 -11.285 11.058 581 HE2 PHE 73 2HE PHE 73 13.662 -11.920 6.876 582 HZ PHE 73 HZ PHE 73 14.730 -12.437 9.021 583 H GLY 74 H GLY 74 9.000 -7.388 7.962 584 1HA GLY 74 1HA GLY 74 7.897 -5.820 6.764 585 2HA GLY 74 2HA GLY 74 8.928 -4.579 7.447 586 H LYS 75 H LYS 75 10.828 -7.140 6.173 587 HA LYS 75 HA LYS 75 11.173 -5.633 3.673 588 1HB LYS 75 1HB LYS 75 13.332 -7.237 5.051 589 2HB LYS 75 2HB LYS 75 13.503 -6.072 3.753 590 1HG LYS 75 1HG LYS 75 12.540 -5.404 6.576 591 2HG LYS 75 2HG LYS 75 14.170 -5.140 5.988 592 1HD LYS 75 1HD LYS 75 13.147 -3.695 4.123 593 2HD LYS 75 2HD LYS 75 11.617 -3.815 4.970 594 1HE LYS 75 1HE LYS 75 12.234 -2.170 6.402 595 2HE LYS 75 2HE LYS 75 13.645 -3.085 6.897 596 1HZ LYS 75 1HZ LYS 75 13.802 -1.786 4.328 597 2HZ LYS 75 2HZ LYS 75 13.812 -0.805 5.633 598 3HZ LYS 75 3HZ LYS 75 14.949 -1.966 5.476 599 HA PRO 76 HA PRO 76 9.744 -9.597 2.301 600 1HB PRO 76 1HB PRO 76 8.559 -8.710 0.002 601 2HB PRO 76 2HB PRO 76 7.716 -8.824 1.535 602 1HG PRO 76 1HG PRO 76 8.728 -6.417 0.149 603 2HG PRO 76 2HG PRO 76 7.537 -6.526 1.429 604 1HD PRO 76 1HD PRO 76 10.272 -5.702 1.695 605 2HD PRO 76 2HD PRO 76 9.114 -5.923 2.991 606 H ASN 77 H ASN 77 9.941 -10.825 0.118 607 HA ASN 77 HA ASN 77 12.566 -11.102 -0.366 608 1HB ASN 77 1HB ASN 77 10.458 -11.402 -2.559 609 2HB ASN 77 2HB ASN 77 11.932 -12.332 -2.375 610 1HD2 ASN 77 1HD2 ASN 77 8.759 -11.651 -1.038 611 2HD2 ASN 77 2HD2 ASN 77 8.553 -13.119 -0.144 612 H LYS 78 H LYS 78 14.026 -10.320 -2.073 613 HA LYS 78 HA LYS 78 13.320 -7.654 -2.980 614 1HB LYS 78 1HB LYS 78 15.777 -9.092 -2.293 615 2HB LYS 78 2HB LYS 78 15.921 -8.188 -3.787 616 1HG LYS 78 1HG LYS 78 14.521 -6.705 -1.623 617 2HG LYS 78 2HG LYS 78 16.183 -7.112 -1.240 618 1HD LYS 78 1HD LYS 78 16.208 -6.206 -3.948 619 2HD LYS 78 2HD LYS 78 15.172 -5.090 -3.080 620 1HE LYS 78 1HE LYS 78 17.101 -4.062 -2.427 621 2HE LYS 78 2HE LYS 78 17.279 -5.389 -1.296 622 1HZ LYS 78 1HZ LYS 78 18.738 -6.454 -2.682 623 2HZ LYS 78 2HZ LYS 78 18.231 -5.691 -4.035 624 3HZ LYS 78 3HZ LYS 78 19.145 -4.893 -2.942 625 H ARG 79 H ARG 79 11.741 -8.186 -4.591 626 HA ARG 79 HA ARG 79 12.776 -9.764 -6.782 627 1HB ARG 79 1HB ARG 79 10.013 -8.902 -5.888 628 2HB ARG 79 2HB ARG 79 10.252 -9.323 -7.573 629 1HG ARG 79 1HG ARG 79 11.198 -11.171 -5.350 630 2HG ARG 79 2HG ARG 79 9.538 -11.213 -5.909 631 1HD ARG 79 1HD ARG 79 10.216 -11.804 -8.167 632 2HD ARG 79 2HD ARG 79 11.899 -11.456 -7.827 633 HE ARG 79 HE ARG 79 10.468 -13.905 -7.162 634 1HH1 ARG 79 2HH2 ARG 79 13.151 -11.838 -6.209 635 2HH1 ARG 79 1HH2 ARG 79 14.022 -13.113 -5.425 636 1HH2 ARG 79 2HH1 ARG 79 11.616 -15.588 -6.127 637 2HH2 ARG 79 1HH1 ARG 79 13.142 -15.260 -5.377 638 H LYS 80 H LYS 80 11.496 -8.777 -9.003 639 HA LYS 80 HA LYS 80 12.952 -6.416 -9.533 640 1HB LYS 80 1HB LYS 80 11.155 -8.260 -11.015 641 2HB LYS 80 2HB LYS 80 11.266 -6.627 -11.640 642 1HG LYS 80 1HG LYS 80 13.938 -7.344 -11.002 643 2HG LYS 80 2HG LYS 80 13.250 -8.780 -11.736 644 1HD LYS 80 1HD LYS 80 13.692 -7.783 -13.736 645 2HD LYS 80 2HD LYS 80 12.292 -6.781 -13.412 646 1HE LYS 80 1HE LYS 80 14.686 -5.780 -12.017 647 2HE LYS 80 2HE LYS 80 14.946 -5.889 -13.747 648 1HZ LYS 80 1HZ LYS 80 12.973 -4.598 -14.093 649 2HZ LYS 80 2HZ LYS 80 12.647 -4.554 -12.493 650 3HZ LYS 80 3HZ LYS 80 13.967 -3.790 -13.079 651 H GLY 81 H GLY 81 9.364 -6.959 -9.757 652 1HA GLY 81 1HA GLY 81 8.638 -4.297 -9.797 653 2HA GLY 81 2HA GLY 81 7.637 -5.620 -9.231 654 H PHE 82 H PHE 82 9.987 -6.168 -7.167 655 HA PHE 82 HA PHE 82 8.747 -4.688 -5.076 656 1HB PHE 82 1HB PHE 82 9.573 -6.929 -4.628 657 2HB PHE 82 2HB PHE 82 11.090 -6.619 -5.449 658 HD1 PHE 82 1HD PHE 82 9.570 -6.942 -2.321 659 HD2 PHE 82 2HD PHE 82 12.552 -4.695 -4.338 660 HE1 PHE 82 1HE PHE 82 10.652 -6.403 -0.121 661 HE2 PHE 82 2HE PHE 82 13.634 -4.156 -2.138 662 HZ PHE 82 HZ PHE 82 12.671 -5.016 -0.056 663 H SER 83 H SER 83 11.836 -4.516 -6.911 664 HA SER 83 HA SER 83 12.969 -2.598 -5.205 665 1HB SER 83 1HB SER 83 14.004 -4.205 -7.077 666 2HB SER 83 2HB SER 83 13.745 -2.817 -8.113 667 HG SER 83 HG SER 83 14.997 -1.531 -6.555 668 H GLU 84 H GLU 84 11.561 -2.378 -8.560 669 HA GLU 84 HA GLU 84 11.657 0.408 -8.597 670 1HB GLU 84 1HB GLU 84 10.694 0.229 -10.711 671 2HB GLU 84 2HB GLU 84 11.387 -1.370 -10.529 672 1HG GLU 84 1HG GLU 84 9.126 -2.146 -9.609 673 2HG GLU 84 2HG GLU 84 8.479 -0.577 -10.048 674 H GLY 85 H GLY 85 9.324 -1.947 -7.335 675 1HA GLY 85 1HA GLY 85 7.068 -0.243 -7.205 676 2HA GLY 85 2HA GLY 85 7.339 -1.718 -6.297 677 H LEU 86 H LEU 86 9.436 -1.318 -4.652 678 HA LEU 86 HA LEU 86 8.404 0.324 -2.661 679 1HB LEU 86 1HB LEU 86 9.709 -1.274 -1.773 680 2HB LEU 86 2HB LEU 86 10.826 -1.287 -3.122 681 HG LEU 86 HG LEU 86 11.884 -0.586 -1.015 682 1HD1 LEU 86 1HD1 LEU 86 12.058 1.949 -2.485 683 2HD1 LEU 86 2HD1 LEU 86 13.311 0.743 -2.111 684 3HD1 LEU 86 3HD1 LEU 86 12.235 0.503 -3.508 685 1HD2 LEU 86 1HD2 LEU 86 10.700 0.652 0.404 686 2HD2 LEU 86 2HD2 LEU 86 11.087 2.048 -0.633 687 3HD2 LEU 86 3HD2 LEU 86 9.562 1.160 -0.868 688 H TRP 87 H TRP 87 10.528 0.984 -5.411 689 HA TRP 87 HA TRP 87 11.358 3.528 -4.321 690 1HB TRP 87 1HB TRP 87 12.341 1.724 -6.250 691 2HB TRP 87 2HB TRP 87 11.905 3.178 -7.128 692 HD1 TRP 87 HD TRP 87 13.273 5.472 -6.426 693 HE1 TRP 87 1HE TRP 87 15.628 5.917 -5.323 694 HE3 TRP 87 3HE TRP 87 13.880 0.776 -4.573 695 HZ2 TRP 87 2HZ TRP 87 17.440 4.292 -3.832 696 HZ3 TRP 87 3HZ TRP 87 15.969 0.289 -3.304 697 HH2 TRP 87 HH TRP 87 17.715 1.956 -2.923 698 H GLU 88 H GLU 88 8.761 2.105 -6.194 699 HA GLU 88 HA GLU 88 8.090 4.442 -7.613 700 1HB GLU 88 1HB GLU 88 6.903 1.738 -7.153 701 2HB GLU 88 2HB GLU 88 5.765 3.001 -7.581 702 1HG GLU 88 1HG GLU 88 8.279 2.913 -9.208 703 2HG GLU 88 2HG GLU 88 7.189 1.558 -9.422 704 H ILE 89 H ILE 89 7.560 3.276 -4.346 705 HA ILE 89 HA ILE 89 5.412 5.214 -3.944 706 HB ILE 89 HB ILE 89 4.772 3.178 -3.073 707 1HG1 ILE 89 1HG1 ILE 89 4.800 5.205 -1.438 708 2HG1 ILE 89 2HG1 ILE 89 4.391 3.610 -0.841 709 1HG2 ILE 89 1HG2 ILE 89 6.336 1.856 -1.515 710 2HG2 ILE 89 2HG2 ILE 89 6.651 1.808 -3.266 711 3HG2 ILE 89 3HG2 ILE 89 7.640 2.846 -2.214 712 1HD1 ILE 89 1HD1 ILE 89 6.338 3.406 0.382 713 2HD1 ILE 89 2HD1 ILE 89 7.304 4.309 -0.811 714 3HD1 ILE 89 3HD1 ILE 89 6.262 5.185 0.336 715 H GLU 90 H GLU 90 8.729 4.319 -2.848 716 HA GLU 90 HA GLU 90 8.844 6.512 -1.067 717 1HB GLU 90 1HB GLU 90 10.698 4.358 -2.012 718 2HB GLU 90 2HB GLU 90 11.454 5.807 -1.384 719 1HG GLU 90 1HG GLU 90 9.192 4.544 0.179 720 2HG GLU 90 2HG GLU 90 10.782 3.811 0.250 721 H ASN 91 H ASN 91 9.498 5.967 -4.491 722 HA ASN 91 HA ASN 91 10.372 8.736 -4.634 723 1HB ASN 91 1HB ASN 91 11.474 6.535 -6.446 724 2HB ASN 91 2HB ASN 91 12.058 8.181 -6.306 725 1HD2 ASN 91 1HD2 ASN 91 11.284 5.461 -4.131 726 2HD2 ASN 91 2HD2 ASN 91 12.733 5.520 -3.184 727 H ASN 92 H ASN 92 7.886 8.769 -5.074 728 HA ASN 92 HA ASN 92 7.076 7.578 -7.530 729 1HB ASN 92 1HB ASN 92 4.918 8.917 -7.016 730 2HB ASN 92 2HB ASN 92 5.373 7.705 -5.835 731 1HD2 ASN 92 1HD2 ASN 92 3.745 9.432 -4.869 732 2HD2 ASN 92 2HD2 ASN 92 4.481 10.639 -3.868 733 HA PRO 93 HA PRO 93 7.872 11.153 -9.946 734 1HB PRO 93 1HB PRO 93 6.144 10.802 -12.034 735 2HB PRO 93 2HB PRO 93 7.683 9.973 -11.913 736 1HG PRO 93 1HG PRO 93 4.964 8.909 -11.456 737 2HG PRO 93 2HG PRO 93 6.449 8.031 -11.757 738 1HD PRO 93 1HD PRO 93 5.133 8.360 -9.230 739 2HD PRO 93 2HD PRO 93 6.678 7.583 -9.514 740 H THR 94 H THR 94 4.695 10.570 -8.783 741 HA THR 94 HA THR 94 4.223 13.474 -8.965 742 HB THR 94 HB THR 94 2.115 11.261 -9.100 743 HG1 THR 94 1HG THR 94 2.730 11.171 -11.225 744 1HG2 THR 94 1HG2 THR 94 1.841 14.020 -8.717 745 2HG2 THR 94 2HG2 THR 94 1.723 13.851 -10.487 746 3HG2 THR 94 3HG2 THR 94 0.602 12.960 -9.430 747 H VAL 95 H VAL 95 5.175 13.837 -6.916 748 HA VAL 95 HA VAL 95 3.904 12.457 -4.686 749 HB VAL 95 HB VAL 95 6.433 12.810 -5.024 750 1HG1 VAL 95 1HG1 VAL 95 5.720 15.540 -3.901 751 2HG1 VAL 95 2HG1 VAL 95 7.356 14.896 -4.177 752 3HG1 VAL 95 3HG1 VAL 95 6.284 15.227 -5.559 753 1HG2 VAL 95 1HG2 VAL 95 5.815 13.801 -2.317 754 2HG2 VAL 95 2HG2 VAL 95 4.872 12.375 -2.813 755 3HG2 VAL 95 3HG2 VAL 95 6.651 12.318 -2.836 756 H LYS 96 H LYS 96 3.902 14.305 -2.679 757 HA LYS 96 HA LYS 96 2.983 16.840 -3.359 758 1HB LYS 96 1HB LYS 96 0.559 16.580 -2.905 759 2HB LYS 96 2HB LYS 96 1.076 15.812 -4.392 760 1HG LYS 96 1HG LYS 96 0.014 13.953 -3.605 761 2HG LYS 96 2HG LYS 96 1.415 13.747 -2.574 762 1HD LYS 96 1HD LYS 96 0.292 15.104 -0.788 763 2HD LYS 96 2HD LYS 96 -1.114 15.288 -1.818 764 1HE LYS 96 1HE LYS 96 -0.100 12.496 -1.253 765 2HE LYS 96 2HE LYS 96 -0.986 13.332 0.006 766 1HZ LYS 96 1HZ LYS 96 -2.122 11.979 -1.968 767 2HZ LYS 96 2HZ LYS 96 -2.869 13.175 -1.144 768 3HZ LYS 96 3HZ LYS 96 -2.181 13.487 -2.590 769 H ALA 97 H ALA 97 2.664 14.018 -1.139 770 HA ALA 97 HA ALA 97 2.863 15.902 1.102 771 1HB ALA 97 1HB ALA 97 2.272 13.489 2.223 772 2HB ALA 97 2HB ALA 97 1.043 14.656 1.679 773 3HB ALA 97 3HB ALA 97 1.509 13.298 0.626 774 H SER 98 H SER 98 5.062 16.293 1.301 775 HA SER 98 HA SER 98 6.572 14.300 2.500 776 1HB SER 98 1HB SER 98 8.366 14.071 0.733 777 2HB SER 98 2HB SER 98 6.854 13.285 0.329 778 HG SER 98 HG SER 98 7.398 15.982 -0.531 779 H GLY 99 H GLY 99 9.064 15.125 2.545 780 1HA GLY 99 1HA GLY 99 9.963 17.576 1.964 781 2HA GLY 99 2HA GLY 99 8.898 17.919 3.313 782 H TYR 100 H TYR 100 9.745 17.775 5.350 783 HA TYR 100 HA TYR 100 12.158 16.115 5.649 784 1HB TYR 100 1HB TYR 100 11.853 18.237 7.628 785 2HB TYR 100 2HB TYR 100 13.128 18.075 6.438 786 HD1 TYR 100 1HD TYR 100 12.112 18.637 3.895 787 HD2 TYR 100 2HD TYR 100 10.824 20.306 7.618 788 HE1 TYR 100 1HE TYR 100 11.231 20.689 2.679 789 HE2 TYR 100 2HE TYR 100 9.946 22.352 6.389 790 HH TYR 100 HH TYR 100 10.659 22.885 3.039 Start of MODEL 13 1 H MET 1 H MET 1 10.931 21.606 8.983 2 HA MET 1 HA MET 1 9.881 20.275 11.276 3 1HB MET 1 1HB MET 1 8.680 22.763 10.188 4 2HB MET 1 2HB MET 1 7.538 21.435 10.198 5 1HG MET 1 1HG MET 1 7.226 22.311 12.352 6 2HG MET 1 2HG MET 1 8.394 21.043 12.674 7 1HE MET 1 1HE MET 1 9.448 23.832 15.078 8 2HE MET 1 2HE MET 1 7.930 24.321 14.290 9 3HE MET 1 3HE MET 1 8.187 22.621 14.746 10 H SER 2 H SER 2 9.293 18.256 10.606 11 HA SER 2 HA SER 2 8.764 17.970 7.760 12 1HB SER 2 1HB SER 2 10.042 16.246 9.846 13 2HB SER 2 2HB SER 2 9.086 15.406 8.641 14 HG SER 2 HG SER 2 10.872 17.388 7.670 15 H ARG 3 H ARG 3 7.102 16.204 7.186 16 HA ARG 3 HA ARG 3 4.766 16.753 8.680 17 1HB ARG 3 1HB ARG 3 3.646 15.327 6.955 18 2HB ARG 3 2HB ARG 3 4.677 16.539 6.222 19 1HG ARG 3 1HG ARG 3 6.031 13.950 6.831 20 2HG ARG 3 2HG ARG 3 4.768 13.850 5.620 21 1HD ARG 3 1HD ARG 3 6.362 16.218 5.094 22 2HD ARG 3 2HD ARG 3 7.443 14.854 5.303 23 HE ARG 3 HE ARG 3 6.547 13.839 3.365 24 1HH1 ARG 3 2HH2 ARG 3 4.639 16.655 4.271 25 2HH1 ARG 3 1HH2 ARG 3 3.751 16.690 2.785 26 1HH2 ARG 3 2HH1 ARG 3 5.375 13.886 1.403 27 2HH2 ARG 3 1HH1 ARG 3 4.172 15.106 1.143 28 H SER 4 H SER 4 3.415 15.174 9.803 29 HA SER 4 HA SER 4 4.945 12.817 10.590 30 1HB SER 4 1HB SER 4 3.351 14.802 12.122 31 2HB SER 4 2HB SER 4 3.026 13.136 12.560 32 HG SER 4 HG SER 4 5.084 12.859 13.286 33 H ASN 5 H ASN 5 3.737 10.800 10.881 34 HA ASN 5 HA ASN 5 1.284 10.838 9.317 35 1HB ASN 5 1HB ASN 5 1.795 8.276 9.186 36 2HB ASN 5 2HB ASN 5 2.822 9.351 8.257 37 1HD2 ASN 5 1HD2 ASN 5 2.519 7.580 11.291 38 2HD2 ASN 5 2HD2 ASN 5 4.208 7.381 11.615 39 H ARG 6 H ARG 6 -0.125 8.695 10.045 40 HA ARG 6 HA ARG 6 -0.739 9.204 12.767 41 1HB ARG 6 1HB ARG 6 -2.681 7.793 12.384 42 2HB ARG 6 2HB ARG 6 -2.457 8.763 10.941 43 1HG ARG 6 1HG ARG 6 -0.926 6.250 10.812 44 2HG ARG 6 2HG ARG 6 -2.636 5.955 11.057 45 1HD ARG 6 1HD ARG 6 -2.877 6.256 8.811 46 2HD ARG 6 2HD ARG 6 -2.643 7.966 9.111 47 HE ARG 6 HE ARG 6 -0.557 7.804 8.085 48 1HH1 ARG 6 2HH2 ARG 6 -1.477 4.614 9.254 49 2HH1 ARG 6 1HH2 ARG 6 -0.092 3.826 8.573 50 1HH2 ARG 6 2HH1 ARG 6 1.268 6.765 7.187 51 2HH2 ARG 6 1HH1 ARG 6 1.479 5.058 7.390 52 H GLN 7 H GLN 7 -1.491 6.872 13.956 53 HA GLN 7 HA GLN 7 0.997 5.353 13.958 54 1HB GLN 7 1HB GLN 7 0.109 4.656 16.316 55 2HB GLN 7 2HB GLN 7 0.789 6.259 16.115 56 1HG GLN 7 1HG GLN 7 -2.191 5.783 15.749 57 2HG GLN 7 2HG GLN 7 -1.514 6.019 17.348 58 1HE2 GLN 7 1HE2 GLN 7 -3.039 7.533 14.951 59 2HE2 GLN 7 2HE2 GLN 7 -2.462 9.158 15.113 60 H LYS 8 H LYS 8 -2.600 5.158 14.043 61 HA LYS 8 HA LYS 8 -2.373 2.487 12.907 62 1HB LYS 8 1HB LYS 8 -4.221 1.723 14.470 63 2HB LYS 8 2HB LYS 8 -2.621 1.878 15.166 64 1HG LYS 8 1HG LYS 8 -4.194 4.386 15.311 65 2HG LYS 8 2HG LYS 8 -4.950 3.055 16.163 66 1HD LYS 8 1HD LYS 8 -2.014 3.296 16.619 67 2HD LYS 8 2HD LYS 8 -2.950 4.656 17.206 68 1HE LYS 8 1HE LYS 8 -4.363 3.186 18.565 69 2HE LYS 8 2HE LYS 8 -3.645 1.755 17.854 70 1HZ LYS 8 1HZ LYS 8 -2.095 1.863 19.390 71 2HZ LYS 8 2HZ LYS 8 -1.595 3.322 18.853 72 3HZ LYS 8 3HZ LYS 8 -2.733 3.228 20.020 73 H GLU 9 H GLU 9 -4.314 5.389 13.748 74 HA GLU 9 HA GLU 9 -6.520 4.718 12.221 75 1HB GLU 9 1HB GLU 9 -7.003 7.191 12.296 76 2HB GLU 9 2HB GLU 9 -6.652 6.491 13.863 77 1HG GLU 9 1HG GLU 9 -4.192 7.217 13.470 78 2HG GLU 9 2HG GLU 9 -4.794 8.163 12.122 79 H TYR 10 H TYR 10 -6.255 4.053 10.104 80 HA TYR 10 HA TYR 10 -4.764 5.899 8.362 81 1HB TYR 10 1HB TYR 10 -3.970 3.922 7.239 82 2HB TYR 10 2HB TYR 10 -3.969 3.419 8.917 83 HD1 TYR 10 1HD TYR 10 -5.201 2.721 5.630 84 HD2 TYR 10 2HD TYR 10 -6.045 2.139 9.784 85 HE1 TYR 10 1HE TYR 10 -6.731 0.773 5.055 86 HE2 TYR 10 2HE TYR 10 -7.571 0.194 9.195 87 HH TYR 10 HH TYR 10 -7.592 -1.492 7.053 88 H LYS 11 H LYS 11 -5.882 6.796 6.688 89 HA LYS 11 HA LYS 11 -8.385 5.482 5.918 90 1HB LYS 11 1HB LYS 11 -9.560 7.569 5.884 91 2HB LYS 11 2HB LYS 11 -8.857 7.360 7.474 92 1HG LYS 11 1HG LYS 11 -7.262 9.044 7.156 93 2HG LYS 11 2HG LYS 11 -7.213 8.825 5.418 94 1HD LYS 11 1HD LYS 11 -9.685 9.917 6.822 95 2HD LYS 11 2HD LYS 11 -8.375 10.966 6.316 96 1HE LYS 11 1HE LYS 11 -9.191 9.116 4.169 97 2HE LYS 11 2HE LYS 11 -10.529 10.104 4.723 98 1HZ LYS 11 1HZ LYS 11 -9.604 11.552 3.312 99 2HZ LYS 11 2HZ LYS 11 -8.625 11.915 4.567 100 3HZ LYS 11 3HZ LYS 11 -8.109 10.902 3.394 101 H CYS 12 H CYS 12 -9.186 6.810 3.776 102 HA CYS 12 HA CYS 12 -7.575 6.036 1.765 103 1HB CYS 12 1HB CYS 12 -9.959 6.865 1.613 104 2HB CYS 12 2HB CYS 12 -9.335 8.503 1.627 105 HG CYS 12 HG CYS 12 -9.098 6.082 -0.558 106 H GLY 13 H GLY 13 -5.886 6.996 0.506 107 1HA GLY 13 1HA GLY 13 -4.398 8.650 -0.094 108 2HA GLY 13 2HA GLY 13 -4.946 9.657 1.232 109 H ASP 14 H ASP 14 -4.569 6.544 2.485 110 HA ASP 14 HA ASP 14 -2.027 7.332 3.604 111 1HB ASP 14 1HB ASP 14 -3.592 6.657 5.273 112 2HB ASP 14 2HB ASP 14 -4.163 5.301 4.320 113 H LEU 15 H LEU 15 -0.166 5.856 3.538 114 HA LEU 15 HA LEU 15 -0.462 3.681 1.584 115 1HB LEU 15 1HB LEU 15 0.683 5.338 0.415 116 2HB LEU 15 2HB LEU 15 1.624 5.825 1.812 117 HG LEU 15 HG LEU 15 3.054 3.942 1.654 118 1HD1 LEU 15 1HD1 LEU 15 2.246 1.950 1.108 119 2HD1 LEU 15 2HD1 LEU 15 0.782 2.684 0.410 120 3HD1 LEU 15 3HD1 LEU 15 2.234 2.464 -0.596 121 1HD2 LEU 15 1HD2 LEU 15 3.895 5.439 0.132 122 2HD2 LEU 15 2HD2 LEU 15 3.658 4.012 -0.905 123 3HD2 LEU 15 3HD2 LEU 15 2.468 5.337 -0.928 124 H VAL 16 H VAL 16 0.554 1.725 2.080 125 HA VAL 16 HA VAL 16 2.373 1.556 4.270 126 HB VAL 16 HB VAL 16 -0.301 1.594 4.963 127 1HG1 VAL 16 1HG1 VAL 16 0.588 -1.291 5.180 128 2HG1 VAL 16 2HG1 VAL 16 -1.009 -0.593 5.537 129 3HG1 VAL 16 3HG1 VAL 16 -0.442 -0.700 3.854 130 1HG2 VAL 16 1HG2 VAL 16 0.623 0.510 7.136 131 2HG2 VAL 16 2HG2 VAL 16 2.197 0.573 6.307 132 3HG2 VAL 16 3HG2 VAL 16 1.287 2.073 6.605 133 H PHE 17 H PHE 17 2.509 -1.055 4.791 134 HA PHE 17 HA PHE 17 3.039 -2.160 2.168 135 1HB PHE 17 1HB PHE 17 3.531 -3.105 5.057 136 2HB PHE 17 2HB PHE 17 4.177 -3.914 3.642 137 HD1 PHE 17 1HD PHE 17 5.727 -2.523 2.110 138 HD2 PHE 17 2HD PHE 17 4.751 -1.406 6.086 139 HE1 PHE 17 1HE PHE 17 7.758 -1.052 2.196 140 HE2 PHE 17 2HE PHE 17 6.782 0.065 6.172 141 HZ PHE 17 HZ PHE 17 8.262 0.225 4.226 142 H ALA 18 H ALA 18 1.619 -3.478 1.141 143 HA ALA 18 HA ALA 18 -0.487 -4.696 2.758 144 1HB ALA 18 1HB ALA 18 -1.518 -5.080 0.479 145 2HB ALA 18 2HB ALA 18 -1.271 -3.369 0.903 146 3HB ALA 18 3HB ALA 18 -0.152 -4.179 -0.221 147 H LYS 19 H LYS 19 -1.057 -6.980 2.384 148 HA LYS 19 HA LYS 19 1.021 -8.569 1.122 149 1HB LYS 19 1HB LYS 19 1.630 -8.187 3.568 150 2HB LYS 19 2HB LYS 19 0.213 -9.130 3.983 151 1HG LYS 19 1HG LYS 19 1.362 -11.048 3.619 152 2HG LYS 19 2HG LYS 19 1.627 -10.589 1.949 153 1HD LYS 19 1HD LYS 19 3.631 -9.247 2.644 154 2HD LYS 19 2HD LYS 19 3.370 -9.731 4.308 155 1HE LYS 19 1HE LYS 19 3.356 -12.181 2.960 156 2HE LYS 19 2HE LYS 19 4.553 -11.265 2.067 157 1HZ LYS 19 1HZ LYS 19 4.537 -11.599 4.988 158 2HZ LYS 19 2HZ LYS 19 5.502 -12.411 3.951 159 3HZ LYS 19 3HZ LYS 19 5.671 -10.797 4.128 160 H MET 20 H MET 20 0.082 -10.113 -0.107 161 HA MET 20 HA MET 20 -2.521 -11.065 0.770 162 1HB MET 20 1HB MET 20 -2.476 -9.223 -1.157 163 2HB MET 20 2HB MET 20 -1.917 -10.537 -2.172 164 1HG MET 20 1HG MET 20 -3.937 -11.776 -1.905 165 2HG MET 20 2HG MET 20 -4.396 -10.904 -0.457 166 1HE MET 20 1HE MET 20 -4.237 -9.185 -4.680 167 2HE MET 20 2HE MET 20 -3.262 -10.493 -3.972 168 3HE MET 20 3HE MET 20 -4.934 -10.812 -4.493 169 H LYS 21 H LYS 21 -3.177 -13.114 -0.550 170 HA LYS 21 HA LYS 21 -1.216 -15.031 -0.218 171 1HB LYS 21 1HB LYS 21 -3.504 -15.665 -0.177 172 2HB LYS 21 2HB LYS 21 -3.811 -14.993 -1.767 173 1HG LYS 21 1HG LYS 21 -2.458 -16.704 -2.846 174 2HG LYS 21 2HG LYS 21 -1.831 -17.268 -1.310 175 1HD LYS 21 1HD LYS 21 -3.618 -18.632 -0.992 176 2HD LYS 21 2HD LYS 21 -4.747 -17.320 -1.261 177 1HE LYS 21 1HE LYS 21 -3.348 -18.464 -3.675 178 2HE LYS 21 2HE LYS 21 -4.595 -19.443 -2.925 179 1HZ LYS 21 1HZ LYS 21 -5.318 -16.699 -3.277 180 2HZ LYS 21 2HZ LYS 21 -5.056 -17.498 -4.677 181 3HZ LYS 21 3HZ LYS 21 -6.166 -18.053 -3.616 182 H GLY 22 H GLY 22 0.373 -15.917 -1.497 183 1HA GLY 22 1HA GLY 22 1.820 -16.106 -3.204 184 2HA GLY 22 2HA GLY 22 0.489 -15.749 -4.285 185 H TYR 23 H TYR 23 0.884 -13.273 -1.919 186 HA TYR 23 HA TYR 23 2.586 -11.729 -3.753 187 1HB TYR 23 1HB TYR 23 0.219 -11.054 -4.015 188 2HB TYR 23 2HB TYR 23 -0.040 -11.102 -2.282 189 HD1 TYR 23 1HD TYR 23 -0.550 -8.967 -1.532 190 HD2 TYR 23 2HD TYR 23 2.606 -9.454 -4.379 191 HE1 TYR 23 1HE TYR 23 -0.027 -6.482 -1.389 192 HE2 TYR 23 2HE TYR 23 3.118 -6.969 -4.228 193 HH TYR 23 HH TYR 23 1.461 -4.928 -1.880 194 HA PRO 24 HA PRO 24 4.656 -11.203 0.080 195 1HB PRO 24 1HB PRO 24 6.955 -10.130 -0.936 196 2HB PRO 24 2HB PRO 24 6.683 -11.855 -0.795 197 1HG PRO 24 1HG PRO 24 6.613 -10.159 -3.215 198 2HG PRO 24 2HG PRO 24 6.768 -11.900 -3.099 199 1HD PRO 24 1HD PRO 24 4.410 -10.431 -3.812 200 2HD PRO 24 2HD PRO 24 4.536 -12.164 -3.584 201 H HIS 25 H HIS 25 5.368 -9.516 1.521 202 HA HIS 25 HA HIS 25 3.725 -7.364 1.460 203 1HB HIS 25 1HB HIS 25 5.952 -8.275 2.993 204 2HB HIS 25 2HB HIS 25 6.205 -6.573 2.664 205 HD1 HIS 25 1HD HIS 25 2.879 -6.165 2.663 206 HD2 HIS 25 2HD HIS 25 5.389 -7.576 5.713 207 HE1 HIS 25 1HE HIS 25 1.630 -5.774 4.853 208 H TRP 26 H TRP 26 3.471 -5.705 0.057 209 HA TRP 26 HA TRP 26 5.895 -4.612 -1.174 210 1HB TRP 26 1HB TRP 26 3.908 -6.129 -2.527 211 2HB TRP 26 2HB TRP 26 3.719 -4.461 -3.023 212 HD1 TRP 26 HD TRP 26 5.378 -3.659 -4.895 213 HE1 TRP 26 1HE TRP 26 7.566 -4.533 -6.083 214 HE3 TRP 26 3HE TRP 26 6.093 -7.638 -1.812 215 HZ2 TRP 26 2HZ TRP 26 9.310 -6.741 -5.611 216 HZ3 TRP 26 3HZ TRP 26 8.063 -9.103 -2.244 217 HH2 TRP 26 HH TRP 26 9.643 -8.707 -4.066 218 HA PRO 27 HA PRO 27 3.989 -0.866 -0.088 219 1HB PRO 27 1HB PRO 27 4.946 0.881 -1.957 220 2HB PRO 27 2HB PRO 27 5.880 0.353 -0.572 221 1HG PRO 27 1HG PRO 27 6.139 -0.463 -3.403 222 2HG PRO 27 2HG PRO 27 7.298 -0.637 -2.100 223 1HD PRO 27 1HD PRO 27 5.639 -2.698 -3.207 224 2HD PRO 27 2HD PRO 27 6.713 -2.844 -1.829 225 H ALA 28 H ALA 28 1.802 -1.046 -0.128 226 HA ALA 28 HA ALA 28 0.657 -0.330 -2.742 227 1HB ALA 28 1HB ALA 28 -1.140 -1.825 -2.323 228 2HB ALA 28 2HB ALA 28 0.325 -2.727 -1.864 229 3HB ALA 28 3HB ALA 28 -0.705 -2.000 -0.607 230 H ARG 29 H ARG 29 -0.909 1.295 -2.775 231 HA ARG 29 HA ARG 29 -1.046 2.779 -0.307 232 1HB ARG 29 1HB ARG 29 -0.394 4.039 -2.315 233 2HB ARG 29 2HB ARG 29 -1.809 3.478 -3.184 234 1HG ARG 29 1HG ARG 29 -3.300 4.801 -1.872 235 2HG ARG 29 2HG ARG 29 -2.129 5.014 -0.584 236 1HD ARG 29 1HD ARG 29 -1.278 6.881 -1.566 237 2HD ARG 29 2HD ARG 29 -1.029 6.043 -3.085 238 HE ARG 29 HE ARG 29 -3.261 7.784 -2.418 239 1HH1 ARG 29 2HH2 ARG 29 -2.336 5.004 -4.367 240 2HH1 ARG 29 1HH2 ARG 29 -3.569 5.265 -5.554 241 1HH2 ARG 29 2HH1 ARG 29 -4.889 8.128 -3.985 242 2HH2 ARG 29 1HH1 ARG 29 -5.031 7.054 -5.336 243 H ILE 30 H ILE 30 -3.031 3.257 0.758 244 HA ILE 30 HA ILE 30 -5.108 1.401 0.369 245 HB ILE 30 HB ILE 30 -4.247 3.022 2.389 246 1HG1 ILE 30 1HG1 ILE 30 -5.597 0.806 2.309 247 2HG1 ILE 30 2HG1 ILE 30 -5.744 1.855 3.705 248 1HG2 ILE 30 1HG2 ILE 30 -5.336 4.996 1.476 249 2HG2 ILE 30 2HG2 ILE 30 -6.895 4.137 1.424 250 3HG2 ILE 30 3HG2 ILE 30 -6.126 4.491 2.989 251 1HD1 ILE 30 1HD1 ILE 30 -7.910 0.895 2.471 252 2HD1 ILE 30 2HD1 ILE 30 -7.905 2.535 3.158 253 3HD1 ILE 30 3HD1 ILE 30 -7.649 2.302 1.412 254 H ASP 31 H ASP 31 -7.265 1.711 -0.395 255 HA ASP 31 HA ASP 31 -7.800 4.203 -1.715 256 1HB ASP 31 1HB ASP 31 -7.386 1.564 -3.136 257 2HB ASP 31 2HB ASP 31 -8.594 2.669 -3.761 258 H GLU 32 H GLU 32 -10.131 4.477 -2.040 259 HA GLU 32 HA GLU 32 -11.658 2.623 -0.454 260 1HB GLU 32 1HB GLU 32 -11.728 5.428 -0.916 261 2HB GLU 32 2HB GLU 32 -13.214 4.803 -1.601 262 1HG GLU 32 1HG GLU 32 -13.404 3.444 0.653 263 2HG GLU 32 2HG GLU 32 -12.224 4.588 1.260 264 H MET 33 H MET 33 -13.717 1.695 -1.228 265 HA MET 33 HA MET 33 -13.418 0.724 -3.862 266 1HB MET 33 1HB MET 33 -15.559 -0.488 -3.305 267 2HB MET 33 2HB MET 33 -14.368 -0.656 -2.030 268 1HG MET 33 1HG MET 33 -15.890 0.176 -0.566 269 2HG MET 33 2HG MET 33 -15.784 1.720 -1.388 270 1HE MET 33 1HE MET 33 -17.676 2.603 -1.087 271 2HE MET 33 2HE MET 33 -19.125 2.347 -2.088 272 3HE MET 33 3HE MET 33 -18.998 1.571 -0.491 273 HA PRO 34 HA PRO 34 -15.754 3.951 -5.697 274 1HB PRO 34 1HB PRO 34 -15.401 3.202 -8.301 275 2HB PRO 34 2HB PRO 34 -14.251 4.189 -7.423 276 1HG PRO 34 1HG PRO 34 -14.061 1.332 -8.156 277 2HG PRO 34 2HG PRO 34 -12.782 2.428 -7.671 278 1HD PRO 34 1HD PRO 34 -14.007 0.398 -6.055 279 2HD PRO 34 2HD PRO 34 -12.810 1.570 -5.538 280 H GLU 35 H GLU 35 -17.605 4.232 -7.309 281 HA GLU 35 HA GLU 35 -19.132 1.789 -7.438 282 1HB GLU 35 1HB GLU 35 -21.176 3.075 -6.541 283 2HB GLU 35 2HB GLU 35 -19.982 2.568 -5.363 284 1HG GLU 35 1HG GLU 35 -18.937 4.842 -5.441 285 2HG GLU 35 2HG GLU 35 -20.130 5.349 -6.620 286 H ALA 36 H ALA 36 -17.706 3.516 -9.373 287 HA ALA 36 HA ALA 36 -19.900 4.841 -10.762 288 1HB ALA 36 1HB ALA 36 -17.126 5.349 -10.398 289 2HB ALA 36 2HB ALA 36 -17.356 4.962 -12.121 290 3HB ALA 36 3HB ALA 36 -18.289 6.280 -11.374 291 H ALA 37 H ALA 37 -17.179 2.548 -11.529 292 HA ALA 37 HA ALA 37 -18.297 1.725 -13.960 293 1HB ALA 37 1HB ALA 37 -16.275 0.754 -14.094 294 2HB ALA 37 2HB ALA 37 -15.950 1.291 -12.429 295 3HB ALA 37 3HB ALA 37 -16.656 -0.315 -12.723 296 H VAL 38 H VAL 38 -18.157 0.014 -10.749 297 HA VAL 38 HA VAL 38 -20.722 -1.211 -11.466 298 HB VAL 38 HB VAL 38 -19.897 -3.316 -10.446 299 1HG1 VAL 38 1HG1 VAL 38 -19.840 -3.686 -12.673 300 2HG1 VAL 38 2HG1 VAL 38 -18.983 -2.160 -13.007 301 3HG1 VAL 38 3HG1 VAL 38 -18.074 -3.591 -12.463 302 1HG2 VAL 38 1HG2 VAL 38 -17.682 -3.695 -9.844 303 2HG2 VAL 38 2HG2 VAL 38 -17.080 -2.306 -10.781 304 3HG2 VAL 38 3HG2 VAL 38 -17.958 -2.036 -9.256 305 H LYS 39 H LYS 39 -21.524 -2.430 -9.286 306 HA LYS 39 HA LYS 39 -21.253 -0.386 -7.201 307 1HB LYS 39 1HB LYS 39 -23.535 -2.274 -7.844 308 2HB LYS 39 2HB LYS 39 -23.480 -1.236 -6.434 309 1HG LYS 39 1HG LYS 39 -24.071 0.603 -7.642 310 2HG LYS 39 2HG LYS 39 -22.853 0.284 -8.860 311 1HD LYS 39 1HD LYS 39 -24.988 -1.690 -9.075 312 2HD LYS 39 2HD LYS 39 -25.676 -0.079 -9.084 313 1HE LYS 39 1HE LYS 39 -24.380 0.591 -10.995 314 2HE LYS 39 2HE LYS 39 -23.278 -0.763 -10.828 315 1HZ LYS 39 1HZ LYS 39 -25.574 -0.674 -12.319 316 2HZ LYS 39 2HZ LYS 39 -24.620 -1.974 -12.060 317 3HZ LYS 39 3HZ LYS 39 -25.905 -1.698 -11.091 318 H SER 40 H SER 40 -20.254 -0.920 -5.329 319 HA SER 40 HA SER 40 -19.909 -3.781 -4.867 320 1HB SER 40 1HB SER 40 -17.954 -1.701 -5.119 321 2HB SER 40 2HB SER 40 -17.955 -2.190 -3.435 322 HG SER 40 HG SER 40 -17.972 -4.231 -5.440 323 H THR 41 H THR 41 -19.349 -4.151 -2.361 324 HA THR 41 HA THR 41 -21.447 -2.734 -0.888 325 HB THR 41 HB THR 41 -21.250 -4.727 0.630 326 HG1 THR 41 1HG THR 41 -18.934 -5.042 0.144 327 1HG2 THR 41 1HG2 THR 41 -21.861 -6.525 -1.020 328 2HG2 THR 41 2HG2 THR 41 -22.756 -5.017 -1.328 329 3HG2 THR 41 3HG2 THR 41 -21.361 -5.449 -2.347 330 H ALA 42 H ALA 42 -21.035 -1.297 0.680 331 HA ALA 42 HA ALA 42 -18.295 -0.614 1.163 332 1HB ALA 42 1HB ALA 42 -20.566 0.823 1.010 333 2HB ALA 42 2HB ALA 42 -20.535 0.549 2.768 334 3HB ALA 42 3HB ALA 42 -19.164 1.354 1.967 335 H ASN 43 H ASN 43 -17.012 -1.376 2.771 336 HA ASN 43 HA ASN 43 -17.658 -1.729 5.327 337 1HB ASN 43 1HB ASN 43 -17.822 -4.356 5.407 338 2HB ASN 43 2HB ASN 43 -19.273 -3.447 5.035 339 1HD2 ASN 43 1HD2 ASN 43 -20.401 -4.147 3.402 340 2HD2 ASN 43 2HD2 ASN 43 -19.826 -5.001 2.010 341 H LYS 44 H LYS 44 -16.031 -2.960 2.412 342 HA LYS 44 HA LYS 44 -13.687 -3.669 4.028 343 1HB LYS 44 1HB LYS 44 -12.998 -5.076 2.187 344 2HB LYS 44 2HB LYS 44 -14.628 -5.497 2.672 345 1HG LYS 44 1HG LYS 44 -15.013 -5.357 0.402 346 2HG LYS 44 2HG LYS 44 -15.255 -3.664 0.782 347 1HD LYS 44 1HD LYS 44 -12.474 -3.853 0.457 348 2HD LYS 44 2HD LYS 44 -13.092 -4.947 -0.764 349 1HE LYS 44 1HE LYS 44 -14.443 -2.268 -0.515 350 2HE LYS 44 2HE LYS 44 -12.831 -2.288 -1.201 351 1HZ LYS 44 1HZ LYS 44 -14.906 -4.118 -2.156 352 2HZ LYS 44 2HZ LYS 44 -14.758 -2.607 -2.759 353 3HZ LYS 44 3HZ LYS 44 -13.527 -3.670 -2.908 354 H TYR 45 H TYR 45 -11.577 -3.338 2.496 355 HA TYR 45 HA TYR 45 -11.797 -0.591 1.462 356 1HB TYR 45 1HB TYR 45 -10.299 -1.806 3.641 357 2HB TYR 45 2HB TYR 45 -9.138 -1.411 2.390 358 HD1 TYR 45 1HD TYR 45 -10.650 1.083 1.338 359 HD2 TYR 45 2HD TYR 45 -9.559 -0.211 5.268 360 HE1 TYR 45 1HE TYR 45 -10.622 3.497 2.133 361 HE2 TYR 45 2HE TYR 45 -9.535 2.207 6.050 362 HH TYR 45 HH TYR 45 -10.773 4.754 4.069 363 H GLN 46 H GLN 46 -10.504 -0.059 -0.367 364 HA GLN 46 HA GLN 46 -9.764 -2.414 -1.869 365 1HB GLN 46 1HB GLN 46 -11.231 -0.903 -3.046 366 2HB GLN 46 2HB GLN 46 -10.247 0.488 -2.638 367 1HG GLN 46 1HG GLN 46 -8.431 -0.267 -4.074 368 2HG GLN 46 2HG GLN 46 -9.185 -1.831 -4.311 369 1HE2 GLN 46 1HE2 GLN 46 -8.647 1.115 -5.648 370 2HE2 GLN 46 2HE2 GLN 46 -9.938 1.209 -6.799 371 H VAL 47 H VAL 47 -7.655 -2.966 -2.325 372 HA VAL 47 HA VAL 47 -5.620 -1.110 -1.328 373 HB VAL 47 HB VAL 47 -6.067 -3.759 -0.794 374 1HG1 VAL 47 1HG1 VAL 47 -4.250 -5.037 -1.839 375 2HG1 VAL 47 2HG1 VAL 47 -5.395 -4.432 -3.060 376 3HG1 VAL 47 3HG1 VAL 47 -3.823 -3.628 -2.838 377 1HG2 VAL 47 1HG2 VAL 47 -3.265 -2.668 -0.687 378 2HG2 VAL 47 2HG2 VAL 47 -4.556 -1.908 0.274 379 3HG2 VAL 47 3HG2 VAL 47 -4.159 -3.625 0.518 380 H PHE 48 H PHE 48 -3.832 -0.518 -2.637 381 HA PHE 48 HA PHE 48 -4.066 -1.312 -5.445 382 1HB PHE 48 1HB PHE 48 -4.627 1.233 -4.219 383 2HB PHE 48 2HB PHE 48 -3.065 1.425 -4.992 384 HD1 PHE 48 1HD PHE 48 -2.864 0.978 -7.461 385 HD2 PHE 48 2HD PHE 48 -6.619 1.180 -5.495 386 HE1 PHE 48 1HE PHE 48 -4.001 1.333 -9.670 387 HE2 PHE 48 2HE PHE 48 -7.756 1.535 -7.704 388 HZ PHE 48 HZ PHE 48 -6.433 1.608 -9.765 389 H PHE 49 H PHE 49 -2.248 -2.601 -5.607 390 HA PHE 49 HA PHE 49 0.140 -1.945 -4.207 391 1HB PHE 49 1HB PHE 49 -0.115 -3.779 -6.635 392 2HB PHE 49 2HB PHE 49 0.883 -4.017 -5.214 393 HD1 PHE 49 1HD PHE 49 -2.314 -4.644 -6.737 394 HD2 PHE 49 2HD PHE 49 -0.223 -4.660 -3.044 395 HE1 PHE 49 1HE PHE 49 -4.083 -6.120 -5.741 396 HE2 PHE 49 2HE PHE 49 -1.992 -6.136 -2.049 397 HZ PHE 49 HZ PHE 49 -3.902 -6.849 -3.410 398 H PHE 50 H PHE 50 1.775 -0.614 -4.833 399 HA PHE 50 HA PHE 50 1.563 0.704 -7.360 400 1HB PHE 50 1HB PHE 50 3.284 0.724 -4.858 401 2HB PHE 50 2HB PHE 50 3.960 1.476 -6.288 402 HD1 PHE 50 1HD PHE 50 2.774 2.481 -3.428 403 HD2 PHE 50 2HD PHE 50 1.589 2.737 -7.495 404 HE1 PHE 50 1HE PHE 50 1.502 4.585 -2.924 405 HE2 PHE 50 2HE PHE 50 0.317 4.842 -6.991 406 HZ PHE 50 HZ PHE 50 0.288 5.741 -4.712 407 H GLY 51 H GLY 51 4.183 -1.256 -5.758 408 1HA GLY 51 1HA GLY 51 6.005 -1.476 -7.702 409 2HA GLY 51 2HA GLY 51 5.557 -2.817 -6.668 410 H THR 52 H THR 52 3.122 -3.689 -7.439 411 HA THR 52 HA THR 52 3.657 -4.717 -10.083 412 HB THR 52 HB THR 52 1.705 -6.175 -9.509 413 HG1 THR 52 1HG THR 52 0.346 -4.921 -8.246 414 1HG2 THR 52 1HG2 THR 52 2.579 -6.658 -6.953 415 2HG2 THR 52 2HG2 THR 52 3.424 -7.267 -8.396 416 3HG2 THR 52 3HG2 THR 52 3.982 -5.777 -7.601 417 H HIS 53 H HIS 53 1.593 -2.273 -8.564 418 HA HIS 53 HA HIS 53 0.383 -0.680 -9.488 419 1HB HIS 53 1HB HIS 53 2.092 -1.433 -11.623 420 2HB HIS 53 2HB HIS 53 0.487 -1.263 -12.307 421 HD1 HIS 53 1HD HIS 53 -0.565 1.115 -12.364 422 HD2 HIS 53 2HD HIS 53 3.243 0.965 -10.610 423 HE1 HIS 53 1HE HIS 53 0.220 3.533 -12.149 424 H GLU 54 H GLU 54 -0.721 -3.143 -8.577 425 HA GLU 54 HA GLU 54 -2.954 -3.392 -10.442 426 1HB GLU 54 1HB GLU 54 -1.660 -5.470 -8.636 427 2HB GLU 54 2HB GLU 54 -3.261 -5.700 -9.314 428 1HG GLU 54 1HG GLU 54 -1.798 -4.909 -11.547 429 2HG GLU 54 2HG GLU 54 -0.611 -5.831 -10.646 430 H THR 55 H THR 55 -5.032 -4.229 -9.186 431 HA THR 55 HA THR 55 -5.137 -3.005 -6.523 432 HB THR 55 HB THR 55 -6.954 -2.424 -8.919 433 HG1 THR 55 1HG THR 55 -4.879 -1.252 -8.633 434 1HG2 THR 55 1HG2 THR 55 -7.578 -2.390 -6.088 435 2HG2 THR 55 2HG2 THR 55 -7.421 -0.710 -6.652 436 3HG2 THR 55 3HG2 THR 55 -8.580 -1.809 -7.439 437 H ALA 56 H ALA 56 -6.664 -3.897 -5.096 438 HA ALA 56 HA ALA 56 -8.385 -5.988 -6.035 439 1HB ALA 56 1HB ALA 56 -6.275 -7.221 -5.944 440 2HB ALA 56 2HB ALA 56 -5.974 -6.635 -4.290 441 3HB ALA 56 3HB ALA 56 -7.330 -7.742 -4.609 442 H PHE 57 H PHE 57 -9.254 -7.146 -3.802 443 HA PHE 57 HA PHE 57 -9.941 -4.856 -2.109 444 1HB PHE 57 1HB PHE 57 -11.929 -6.355 -1.572 445 2HB PHE 57 2HB PHE 57 -11.817 -5.987 -3.281 446 HD1 PHE 57 1HD PHE 57 -11.578 -8.597 -0.756 447 HD2 PHE 57 2HD PHE 57 -11.088 -7.709 -4.877 448 HE1 PHE 57 1HE PHE 57 -11.582 -11.050 -1.286 449 HE2 PHE 57 2HE PHE 57 -11.092 -10.163 -5.406 450 HZ PHE 57 HZ PHE 57 -11.339 -11.803 -3.603 451 H LEU 58 H LEU 58 -9.201 -4.798 -0.039 452 HA LEU 58 HA LEU 58 -8.732 -7.309 1.330 453 1HB LEU 58 1HB LEU 58 -6.545 -5.244 1.054 454 2HB LEU 58 2HB LEU 58 -6.477 -6.727 1.985 455 HG LEU 58 HG LEU 58 -6.781 -6.607 -1.028 456 1HD1 LEU 58 1HD1 LEU 58 -4.583 -5.742 0.024 457 2HD1 LEU 58 2HD1 LEU 58 -4.276 -7.452 0.411 458 3HD1 LEU 58 3HD1 LEU 58 -4.496 -6.948 -1.282 459 1HD2 LEU 58 1HD2 LEU 58 -7.487 -8.664 0.605 460 2HD2 LEU 58 2HD2 LEU 58 -6.930 -8.847 -1.076 461 3HD2 LEU 58 3HD2 LEU 58 -5.785 -9.062 0.269 462 H GLY 59 H GLY 59 -7.831 -6.586 3.707 463 1HA GLY 59 1HA GLY 59 -9.589 -4.354 4.539 464 2HA GLY 59 2HA GLY 59 -9.406 -5.845 5.441 465 HA PRO 60 HA PRO 60 -6.339 -3.043 7.184 466 1HB PRO 60 1HB PRO 60 -6.896 -3.529 9.815 467 2HB PRO 60 2HB PRO 60 -7.623 -2.218 8.908 468 1HG PRO 60 1HG PRO 60 -8.827 -4.787 9.741 469 2HG PRO 60 2HG PRO 60 -9.627 -3.316 9.226 470 1HD PRO 60 1HD PRO 60 -9.254 -5.702 7.677 471 2HD PRO 60 2HD PRO 60 -9.950 -4.192 7.124 472 H LYS 61 H LYS 61 -7.115 -6.339 7.995 473 HA LYS 61 HA LYS 61 -4.718 -6.944 9.269 474 1HB LYS 61 1HB LYS 61 -6.645 -8.381 9.439 475 2HB LYS 61 2HB LYS 61 -6.667 -8.660 7.710 476 1HG LYS 61 1HG LYS 61 -5.495 -10.555 8.312 477 2HG LYS 61 2HG LYS 61 -4.128 -9.465 8.192 478 1HD LYS 61 1HD LYS 61 -5.623 -9.674 10.818 479 2HD LYS 61 2HD LYS 61 -4.487 -10.934 10.380 480 1HE LYS 61 1HE LYS 61 -2.857 -9.597 11.235 481 2HE LYS 61 2HE LYS 61 -3.055 -8.598 9.810 482 1HZ LYS 61 1HZ LYS 61 -3.866 -7.018 11.083 483 2HZ LYS 61 2HZ LYS 61 -5.065 -7.978 11.636 484 3HZ LYS 61 3HZ LYS 61 -3.631 -7.929 12.417 485 H ASP 62 H ASP 62 -5.690 -7.471 5.804 486 HA ASP 62 HA ASP 62 -3.346 -8.463 4.923 487 1HB ASP 62 1HB ASP 62 -5.502 -6.756 3.692 488 2HB ASP 62 2HB ASP 62 -4.036 -6.990 2.760 489 H LEU 63 H LEU 63 -4.229 -5.130 5.809 490 HA LEU 63 HA LEU 63 -1.781 -4.067 4.660 491 1HB LEU 63 1HB LEU 63 -4.395 -3.065 5.288 492 2HB LEU 63 2HB LEU 63 -3.194 -2.113 6.140 493 HG LEU 63 HG LEU 63 -2.261 -1.274 4.208 494 1HD1 LEU 63 1HD1 LEU 63 -1.525 -2.886 2.822 495 2HD1 LEU 63 2HD1 LEU 63 -2.965 -3.905 3.062 496 3HD1 LEU 63 3HD1 LEU 63 -3.021 -2.533 1.929 497 1HD2 LEU 63 1HD2 LEU 63 -3.978 -0.300 2.995 498 2HD2 LEU 63 2HD2 LEU 63 -4.990 -1.763 3.047 499 3HD2 LEU 63 3HD2 LEU 63 -4.787 -0.767 4.509 500 H PHE 64 H PHE 64 -0.050 -3.251 5.871 501 HA PHE 64 HA PHE 64 -0.259 -3.476 8.763 502 1HB PHE 64 1HB PHE 64 1.291 -5.174 6.839 503 2HB PHE 64 2HB PHE 64 2.278 -4.523 8.132 504 HD1 PHE 64 1HD PHE 64 -0.457 -6.799 7.304 505 HD2 PHE 64 2HD PHE 64 1.913 -5.203 10.443 506 HE1 PHE 64 1HE PHE 64 -1.255 -8.622 8.835 507 HE2 PHE 64 2HE PHE 64 1.115 -7.027 11.972 508 HZ PHE 64 HZ PHE 64 -0.459 -8.715 11.149 509 HA PRO 65 HA PRO 65 2.136 0.126 8.374 510 1HB PRO 65 1HB PRO 65 2.728 0.551 11.007 511 2HB PRO 65 2HB PRO 65 1.207 1.027 10.279 512 1HG PRO 65 1HG PRO 65 1.766 -1.247 12.082 513 2HG PRO 65 2HG PRO 65 0.225 -0.508 11.690 514 1HD PRO 65 1HD PRO 65 1.246 -2.991 10.678 515 2HD PRO 65 2HD PRO 65 -0.240 -2.195 10.199 516 H TYR 66 H TYR 66 4.308 1.138 9.097 517 HA TYR 66 HA TYR 66 6.261 -0.748 8.286 518 1HB TYR 66 1HB TYR 66 6.586 1.587 7.750 519 2HB TYR 66 2HB TYR 66 6.063 2.109 9.340 520 HD1 TYR 66 1HD TYR 66 7.620 2.338 11.158 521 HD2 TYR 66 2HD TYR 66 8.883 0.645 7.436 522 HE1 TYR 66 1HE TYR 66 10.049 2.535 11.883 523 HE2 TYR 66 2HE TYR 66 11.307 0.848 8.174 524 HH TYR 66 HH TYR 66 12.136 1.664 11.435 525 H GLU 67 H GLU 67 5.266 0.682 11.436 526 HA GLU 67 HA GLU 67 7.409 -0.150 12.915 527 1HB GLU 67 1HB GLU 67 4.486 0.295 13.592 528 2HB GLU 67 2HB GLU 67 5.620 -0.214 14.827 529 1HG GLU 67 1HG GLU 67 5.998 2.029 15.083 530 2HG GLU 67 2HG GLU 67 7.051 1.832 13.695 531 H GLU 68 H GLU 68 4.283 -1.878 12.262 532 HA GLU 68 HA GLU 68 5.056 -4.150 13.704 533 1HB GLU 68 1HB GLU 68 2.843 -3.435 11.797 534 2HB GLU 68 2HB GLU 68 3.123 -5.137 12.108 535 1HG GLU 68 1HG GLU 68 3.075 -4.534 14.628 536 2HG GLU 68 2HG GLU 68 2.462 -2.967 14.142 537 H SER 69 H SER 69 5.048 -3.309 10.180 538 HA SER 69 HA SER 69 5.844 -5.736 9.228 539 1HB SER 69 1HB SER 69 6.156 -2.888 8.294 540 2HB SER 69 2HB SER 69 7.043 -4.132 7.435 541 HG SER 69 HG SER 69 4.306 -4.677 7.963 542 H LYS 70 H LYS 70 7.881 -2.904 10.248 543 HA LYS 70 HA LYS 70 10.325 -4.217 9.770 544 1HB LYS 70 1HB LYS 70 11.327 -2.302 10.642 545 2HB LYS 70 2HB LYS 70 9.830 -1.707 9.953 546 1HG LYS 70 1HG LYS 70 9.235 -0.871 11.972 547 2HG LYS 70 2HG LYS 70 9.221 -2.492 12.637 548 1HD LYS 70 1HD LYS 70 11.507 -2.350 13.346 549 2HD LYS 70 2HD LYS 70 11.832 -0.968 12.320 550 1HE LYS 70 1HE LYS 70 10.072 0.309 13.738 551 2HE LYS 70 2HE LYS 70 10.147 -1.036 14.860 552 1HZ LYS 70 1HZ LYS 70 12.557 0.380 13.983 553 2HZ LYS 70 2HZ LYS 70 11.692 0.860 15.281 554 3HZ LYS 70 3HZ LYS 70 12.389 -0.616 15.265 555 H GLU 71 H GLU 71 7.901 -4.536 12.229 556 HA GLU 71 HA GLU 71 9.528 -5.187 14.377 557 1HB GLU 71 1HB GLU 71 6.911 -4.766 14.148 558 2HB GLU 71 2HB GLU 71 6.842 -6.507 13.966 559 1HG GLU 71 1HG GLU 71 8.613 -5.818 16.181 560 2HG GLU 71 2HG GLU 71 7.064 -5.025 16.393 561 H LYS 72 H LYS 72 7.786 -7.348 12.020 562 HA LYS 72 HA LYS 72 9.193 -9.640 12.995 563 1HB LYS 72 1HB LYS 72 6.782 -9.371 11.918 564 2HB LYS 72 2HB LYS 72 7.658 -9.635 10.423 565 1HG LYS 72 1HG LYS 72 7.639 -11.473 12.863 566 2HG LYS 72 2HG LYS 72 6.878 -11.791 11.316 567 1HD LYS 72 1HD LYS 72 8.808 -12.837 10.723 568 2HD LYS 72 2HD LYS 72 9.520 -11.241 10.585 569 1HE LYS 72 1HE LYS 72 10.965 -12.500 12.050 570 2HE LYS 72 2HE LYS 72 10.097 -11.369 13.071 571 1HZ LYS 72 1HZ LYS 72 10.209 -13.845 13.690 572 2HZ LYS 72 2HZ LYS 72 8.816 -13.027 13.927 573 3HZ LYS 72 3HZ LYS 72 8.973 -14.016 12.638 574 H PHE 73 H PHE 73 8.990 -8.218 9.656 575 HA PHE 73 HA PHE 73 11.880 -8.665 9.462 576 1HB PHE 73 1HB PHE 73 11.245 -9.301 7.000 577 2HB PHE 73 2HB PHE 73 10.869 -10.490 8.231 578 HD1 PHE 73 1HD PHE 73 9.526 -8.274 5.720 579 HD2 PHE 73 2HD PHE 73 8.513 -10.707 9.046 580 HE1 PHE 73 1HE PHE 73 7.124 -8.268 4.992 581 HE2 PHE 73 2HE PHE 73 6.111 -10.701 8.318 582 HZ PHE 73 HZ PHE 73 5.445 -9.483 6.300 583 H GLY 74 H GLY 74 8.985 -7.192 7.821 584 1HA GLY 74 1HA GLY 74 8.674 -5.124 6.986 585 2HA GLY 74 2HA GLY 74 10.090 -4.583 7.866 586 H LYS 75 H LYS 75 11.077 -7.272 6.097 587 HA LYS 75 HA LYS 75 11.685 -5.662 3.725 588 1HB LYS 75 1HB LYS 75 13.985 -6.625 3.748 589 2HB LYS 75 2HB LYS 75 13.661 -5.506 5.057 590 1HG LYS 75 1HG LYS 75 14.442 -7.147 6.434 591 2HG LYS 75 2HG LYS 75 12.883 -7.911 6.196 592 1HD LYS 75 1HD LYS 75 13.763 -9.582 4.905 593 2HD LYS 75 2HD LYS 75 14.755 -8.473 3.979 594 1HE LYS 75 1HE LYS 75 16.432 -8.397 5.803 595 2HE LYS 75 2HE LYS 75 15.422 -9.413 6.811 596 1HZ LYS 75 1HZ LYS 75 16.768 -10.941 5.862 597 2HZ LYS 75 2HZ LYS 75 15.572 -10.963 4.750 598 3HZ LYS 75 3HZ LYS 75 16.946 -10.132 4.454 599 HA PRO 76 HA PRO 76 9.907 -9.491 2.353 600 1HB PRO 76 1HB PRO 76 8.675 -8.475 0.134 601 2HB PRO 76 2HB PRO 76 7.899 -8.572 1.702 602 1HG PRO 76 1HG PRO 76 8.999 -6.201 0.320 603 2HG PRO 76 2HG PRO 76 7.865 -6.266 1.655 604 1HD PRO 76 1HD PRO 76 10.656 -5.625 1.804 605 2HD PRO 76 2HD PRO 76 9.548 -5.802 3.150 606 H ASN 77 H ASN 77 9.927 -10.683 0.148 607 HA ASN 77 HA ASN 77 12.500 -11.115 -0.471 608 1HB ASN 77 1HB ASN 77 10.282 -11.218 -2.572 609 2HB ASN 77 2HB ASN 77 11.694 -12.252 -2.473 610 1HD2 ASN 77 1HD2 ASN 77 8.622 -11.404 -1.011 611 2HD2 ASN 77 2HD2 ASN 77 8.360 -12.873 -0.129 612 H LYS 78 H LYS 78 14.024 -9.625 -1.212 613 HA LYS 78 HA LYS 78 13.246 -7.244 -2.524 614 1HB LYS 78 1HB LYS 78 15.780 -8.515 -1.615 615 2HB LYS 78 2HB LYS 78 15.915 -7.330 -2.897 616 1HG LYS 78 1HG LYS 78 14.104 -6.513 -0.682 617 2HG LYS 78 2HG LYS 78 15.772 -6.731 -0.194 618 1HD LYS 78 1HD LYS 78 16.174 -5.329 -2.501 619 2HD LYS 78 2HD LYS 78 14.589 -4.716 -2.075 620 1HE LYS 78 1HE LYS 78 15.345 -3.755 -0.055 621 2HE LYS 78 2HE LYS 78 16.711 -4.845 0.078 622 1HZ LYS 78 1HZ LYS 78 16.419 -2.595 -1.778 623 2HZ LYS 78 2HZ LYS 78 17.533 -2.778 -0.598 624 3HZ LYS 78 3HZ LYS 78 17.597 -3.715 -1.935 625 H ARG 79 H ARG 79 12.031 -7.840 -4.378 626 HA ARG 79 HA ARG 79 13.521 -9.357 -6.344 627 1HB ARG 79 1HB ARG 79 10.580 -8.647 -6.013 628 2HB ARG 79 2HB ARG 79 11.182 -9.213 -7.558 629 1HG ARG 79 1HG ARG 79 11.812 -10.772 -5.032 630 2HG ARG 79 2HG ARG 79 10.249 -10.956 -5.803 631 1HD ARG 79 1HD ARG 79 11.472 -11.476 -7.986 632 2HD ARG 79 2HD ARG 79 12.975 -11.466 -7.085 633 HE ARG 79 HE ARG 79 11.363 -13.210 -5.640 634 1HH1 ARG 79 2HH2 ARG 79 12.396 -13.020 -8.998 635 2HH1 ARG 79 1HH2 ARG 79 12.331 -14.733 -9.249 636 1HH2 ARG 79 2HH1 ARG 79 11.278 -15.470 -5.969 637 2HH2 ARG 79 1HH1 ARG 79 11.691 -16.136 -7.515 638 H LYS 80 H LYS 80 12.527 -8.468 -8.755 639 HA LYS 80 HA LYS 80 13.882 -6.016 -9.088 640 1HB LYS 80 1HB LYS 80 12.496 -8.006 -10.783 641 2HB LYS 80 2HB LYS 80 12.475 -6.368 -11.405 642 1HG LYS 80 1HG LYS 80 14.572 -6.783 -12.186 643 2HG LYS 80 2HG LYS 80 15.107 -6.617 -10.526 644 1HD LYS 80 1HD LYS 80 15.101 -8.975 -10.152 645 2HD LYS 80 2HD LYS 80 14.059 -9.285 -11.527 646 1HE LYS 80 1HE LYS 80 16.017 -8.300 -12.972 647 2HE LYS 80 2HE LYS 80 17.004 -8.529 -11.541 648 1HZ LYS 80 1HZ LYS 80 16.578 -10.815 -11.580 649 2HZ LYS 80 2HZ LYS 80 15.377 -10.687 -12.679 650 3HZ LYS 80 3HZ LYS 80 16.924 -10.422 -13.127 651 H GLY 81 H GLY 81 10.392 -6.962 -9.029 652 1HA GLY 81 1HA GLY 81 9.396 -4.375 -9.562 653 2HA GLY 81 2HA GLY 81 8.525 -5.721 -8.856 654 H PHE 82 H PHE 82 11.100 -5.605 -6.847 655 HA PHE 82 HA PHE 82 9.627 -4.142 -4.870 656 1HB PHE 82 1HB PHE 82 10.973 -6.332 -4.591 657 2HB PHE 82 2HB PHE 82 12.435 -5.404 -4.862 658 HD1 PHE 82 1HD PHE 82 12.265 -3.072 -3.283 659 HD2 PHE 82 2HD PHE 82 10.748 -6.932 -2.386 660 HE1 PHE 82 1HE PHE 82 12.389 -2.551 -0.830 661 HE2 PHE 82 2HE PHE 82 10.872 -6.411 0.067 662 HZ PHE 82 HZ PHE 82 11.693 -4.229 0.815 663 H SER 83 H SER 83 12.929 -3.907 -6.376 664 HA SER 83 HA SER 83 13.577 -1.553 -5.067 665 1HB SER 83 1HB SER 83 15.096 -3.218 -6.339 666 2HB SER 83 2HB SER 83 14.623 -2.376 -7.801 667 HG SER 83 HG SER 83 15.331 -0.356 -6.488 668 H GLU 84 H GLU 84 12.386 -2.157 -8.451 669 HA GLU 84 HA GLU 84 12.175 0.592 -9.001 670 1HB GLU 84 1HB GLU 84 11.509 -0.071 -11.130 671 2HB GLU 84 2HB GLU 84 12.375 -1.501 -10.604 672 1HG GLU 84 1HG GLU 84 10.115 -2.408 -9.757 673 2HG GLU 84 2HG GLU 84 9.356 -1.071 -10.596 674 H GLY 85 H GLY 85 10.276 -1.599 -7.146 675 1HA GLY 85 1HA GLY 85 7.701 -0.440 -7.667 676 2HA GLY 85 2HA GLY 85 8.133 -1.579 -6.407 677 H LEU 86 H LEU 86 9.865 -0.495 -4.735 678 HA LEU 86 HA LEU 86 8.419 1.427 -3.350 679 1HB LEU 86 1HB LEU 86 9.769 0.292 -1.956 680 2HB LEU 86 2HB LEU 86 11.044 0.105 -3.144 681 HG LEU 86 HG LEU 86 11.738 1.439 -1.196 682 1HD1 LEU 86 1HD1 LEU 86 13.113 2.738 -2.423 683 2HD1 LEU 86 2HD1 LEU 86 12.373 1.863 -3.786 684 3HD1 LEU 86 3HD1 LEU 86 11.781 3.481 -3.339 685 1HD2 LEU 86 1HD2 LEU 86 10.586 3.951 -1.645 686 2HD2 LEU 86 2HD2 LEU 86 9.232 2.796 -1.695 687 3HD2 LEU 86 3HD2 LEU 86 10.299 2.855 -0.272 688 H TRP 87 H TRP 87 10.847 1.685 -5.924 689 HA TRP 87 HA TRP 87 11.239 4.501 -5.463 690 1HB TRP 87 1HB TRP 87 12.596 2.418 -6.826 691 2HB TRP 87 2HB TRP 87 12.164 3.618 -8.026 692 HD1 TRP 87 HD TRP 87 13.230 6.149 -7.637 693 HE1 TRP 87 1HE TRP 87 15.399 7.027 -6.420 694 HE3 TRP 87 3HE TRP 87 14.023 1.947 -4.886 695 HZ2 TRP 87 2HZ TRP 87 17.166 5.891 -4.488 696 HZ3 TRP 87 3HZ TRP 87 15.992 1.913 -3.359 697 HH2 TRP 87 HH TRP 87 17.537 3.795 -3.135 698 H GLU 88 H GLU 88 9.024 2.352 -7.107 699 HA GLU 88 HA GLU 88 8.294 4.156 -9.143 700 1HB GLU 88 1HB GLU 88 7.511 1.482 -8.208 701 2HB GLU 88 2HB GLU 88 6.124 2.415 -8.734 702 1HG GLU 88 1HG GLU 88 8.650 2.247 -10.423 703 2HG GLU 88 2HG GLU 88 7.399 1.026 -10.529 704 H ILE 89 H ILE 89 7.510 3.783 -5.743 705 HA ILE 89 HA ILE 89 5.169 5.506 -6.050 706 HB ILE 89 HB ILE 89 4.548 3.711 -4.770 707 1HG1 ILE 89 1HG1 ILE 89 4.422 6.085 -3.612 708 2HG1 ILE 89 2HG1 ILE 89 3.885 4.632 -2.795 709 1HG2 ILE 89 1HG2 ILE 89 7.308 3.784 -3.545 710 2HG2 ILE 89 2HG2 ILE 89 5.982 2.788 -2.900 711 3HG2 ILE 89 3HG2 ILE 89 6.577 2.515 -4.554 712 1HD1 ILE 89 1HD1 ILE 89 6.782 5.437 -2.528 713 2HD1 ILE 89 2HD1 ILE 89 5.550 6.317 -1.589 714 3HD1 ILE 89 3HD1 ILE 89 5.745 4.560 -1.378 715 H GLU 90 H GLU 90 8.335 5.220 -4.325 716 HA GLU 90 HA GLU 90 8.072 7.763 -3.154 717 1HB GLU 90 1HB GLU 90 10.251 5.705 -3.425 718 2HB GLU 90 2HB GLU 90 10.723 7.330 -2.968 719 1HG GLU 90 1HG GLU 90 8.555 5.719 -1.540 720 2HG GLU 90 2HG GLU 90 10.222 5.805 -1.005 721 H ASN 91 H ASN 91 9.252 6.531 -6.256 722 HA ASN 91 HA ASN 91 9.864 9.285 -6.964 723 1HB ASN 91 1HB ASN 91 11.415 6.872 -8.027 724 2HB ASN 91 2HB ASN 91 11.803 8.564 -8.271 725 1HD2 ASN 91 1HD2 ASN 91 10.999 6.430 -5.527 726 2HD2 ASN 91 2HD2 ASN 91 12.301 6.909 -4.489 727 H ASN 92 H ASN 92 7.443 8.819 -7.637 728 HA ASN 92 HA ASN 92 7.098 7.032 -9.808 729 1HB ASN 92 1HB ASN 92 4.794 8.245 -9.907 730 2HB ASN 92 2HB ASN 92 5.159 7.358 -8.442 731 1HD2 ASN 92 1HD2 ASN 92 3.285 9.136 -8.171 732 2HD2 ASN 92 2HD2 ASN 92 3.796 10.573 -7.350 733 HA PRO 93 HA PRO 93 7.842 9.954 -12.992 734 1HB PRO 93 1HB PRO 93 6.245 9.052 -15.018 735 2HB PRO 93 2HB PRO 93 7.794 8.334 -14.628 736 1HG PRO 93 1HG PRO 93 5.081 7.307 -14.063 737 2HG PRO 93 2HG PRO 93 6.602 6.438 -14.071 738 1HD PRO 93 1HD PRO 93 5.138 7.309 -11.764 739 2HD PRO 93 2HD PRO 93 6.715 6.545 -11.778 740 H THR 94 H THR 94 4.540 9.469 -12.060 741 HA THR 94 HA THR 94 4.051 12.268 -12.846 742 HB THR 94 HB THR 94 2.081 9.922 -12.768 743 HG1 THR 94 1HG THR 94 2.338 10.407 -15.183 744 1HG2 THR 94 1HG2 THR 94 0.499 11.392 -13.735 745 2HG2 THR 94 2HG2 THR 94 1.305 12.465 -12.565 746 3HG2 THR 94 3HG2 THR 94 1.754 12.528 -14.287 747 H VAL 95 H VAL 95 4.672 13.196 -10.892 748 HA VAL 95 HA VAL 95 3.350 12.185 -8.503 749 HB VAL 95 HB VAL 95 5.821 12.751 -8.671 750 1HG1 VAL 95 1HG1 VAL 95 5.539 15.526 -7.976 751 2HG1 VAL 95 2HG1 VAL 95 6.480 14.787 -9.293 752 3HG1 VAL 95 3HG1 VAL 95 4.779 15.237 -9.559 753 1HG2 VAL 95 1HG2 VAL 95 5.860 12.999 -6.423 754 2HG2 VAL 95 2HG2 VAL 95 4.776 14.411 -6.453 755 3HG2 VAL 95 3HG2 VAL 95 4.099 12.769 -6.565 756 H LYS 96 H LYS 96 2.715 14.203 -6.950 757 HA LYS 96 HA LYS 96 1.702 16.502 -8.151 758 1HB LYS 96 1HB LYS 96 -0.646 16.078 -8.316 759 2HB LYS 96 2HB LYS 96 0.189 14.885 -9.290 760 1HG LYS 96 1HG LYS 96 -1.083 13.361 -8.159 761 2HG LYS 96 2HG LYS 96 0.084 13.572 -6.868 762 1HD LYS 96 1HD LYS 96 -1.359 15.455 -5.953 763 2HD LYS 96 2HD LYS 96 -2.555 15.079 -7.177 764 1HE LYS 96 1HE LYS 96 -3.136 13.027 -6.191 765 2HE LYS 96 2HE LYS 96 -1.564 12.815 -5.444 766 1HZ LYS 96 1HZ LYS 96 -2.338 13.771 -3.636 767 2HZ LYS 96 2HZ LYS 96 -2.760 15.129 -4.439 768 3HZ LYS 96 3HZ LYS 96 -3.822 13.894 -4.307 769 H ALA 97 H ALA 97 1.421 13.976 -5.618 770 HA ALA 97 HA ALA 97 0.760 16.074 -3.689 771 1HB ALA 97 1HB ALA 97 0.886 13.163 -2.981 772 2HB ALA 97 2HB ALA 97 -0.242 14.424 -2.427 773 3HB ALA 97 3HB ALA 97 -0.433 13.707 -4.045 774 H SER 98 H SER 98 2.971 16.992 -3.886 775 HA SER 98 HA SER 98 4.556 16.179 -1.809 776 1HB SER 98 1HB SER 98 4.955 14.479 -4.023 777 2HB SER 98 2HB SER 98 6.304 15.593 -4.093 778 HG SER 98 HG SER 98 6.169 14.979 -1.532 779 H GLY 99 H GLY 99 4.886 17.344 -5.242 780 1HA GLY 99 1HA GLY 99 4.951 19.866 -5.311 781 2HA GLY 99 2HA GLY 99 6.301 19.722 -4.202 782 H TYR 100 H TYR 100 6.569 20.982 -6.730 783 HA TYR 100 HA TYR 100 8.353 19.063 -8.059 784 1HB TYR 100 1HB TYR 100 7.294 21.125 -9.832 785 2HB TYR 100 2HB TYR 100 7.071 19.392 -9.970 786 HD1 TYR 100 1HD TYR 100 5.349 22.373 -9.802 787 HD2 TYR 100 2HD TYR 100 5.308 18.466 -8.060 788 HE1 TYR 100 1HE TYR 100 2.882 22.638 -9.246 789 HE2 TYR 100 2HE TYR 100 2.840 18.745 -7.510 790 HH TYR 100 HH TYR 100 0.924 20.115 -8.490 Start of MODEL 14 1 H MET 1 H MET 1 12.556 20.706 20.282 2 HA MET 1 HA MET 1 9.952 21.304 19.369 3 1HB MET 1 1HB MET 1 12.538 20.235 18.265 4 2HB MET 1 2HB MET 1 11.101 19.791 17.365 5 1HG MET 1 1HG MET 1 10.654 21.979 16.708 6 2HG MET 1 2HG MET 1 11.316 22.675 18.175 7 1HE MET 1 1HE MET 1 14.093 21.655 18.624 8 2HE MET 1 2HE MET 1 15.101 22.730 17.625 9 3HE MET 1 3HE MET 1 13.716 23.392 18.528 10 H SER 2 H SER 2 8.230 20.055 19.996 11 HA SER 2 HA SER 2 8.615 17.178 19.722 12 1HB SER 2 1HB SER 2 7.241 18.740 21.928 13 2HB SER 2 2HB SER 2 6.764 17.090 21.589 14 HG SER 2 HG SER 2 8.467 16.432 22.687 15 H ARG 3 H ARG 3 7.483 16.644 17.880 16 HA ARG 3 HA ARG 3 5.080 18.138 17.330 17 1HB ARG 3 1HB ARG 3 5.216 17.184 15.085 18 2HB ARG 3 2HB ARG 3 6.815 17.747 15.531 19 1HG ARG 3 1HG ARG 3 6.998 15.201 16.469 20 2HG ARG 3 2HG ARG 3 5.809 14.934 15.210 21 1HD ARG 3 1HD ARG 3 7.445 14.984 13.637 22 2HD ARG 3 2HD ARG 3 7.849 16.628 14.091 23 HE ARG 3 HE ARG 3 9.733 15.800 15.183 24 1HH1 ARG 3 2HH2 ARG 3 7.350 13.219 14.959 25 2HH1 ARG 3 1HH2 ARG 3 8.393 12.024 15.655 26 1HH2 ARG 3 2HH1 ARG 3 11.108 14.222 16.101 27 2HH2 ARG 3 1HH1 ARG 3 10.545 12.597 16.308 28 H SER 4 H SER 4 3.014 17.050 16.910 29 HA SER 4 HA SER 4 2.834 14.584 18.408 30 1HB SER 4 1HB SER 4 0.372 15.039 18.368 31 2HB SER 4 2HB SER 4 1.297 16.345 19.086 32 HG SER 4 HG SER 4 -0.294 16.345 16.805 33 H ASN 5 H ASN 5 2.829 12.664 17.303 34 HA ASN 5 HA ASN 5 1.915 12.784 14.539 35 1HB ASN 5 1HB ASN 5 3.281 10.638 14.281 36 2HB ASN 5 2HB ASN 5 4.238 12.063 14.640 37 1HD2 ASN 5 1HD2 ASN 5 3.220 8.962 15.654 38 2HD2 ASN 5 2HD2 ASN 5 4.082 8.859 17.153 39 H ARG 6 H ARG 6 0.910 10.565 13.802 40 HA ARG 6 HA ARG 6 -0.945 9.800 15.857 41 1HB ARG 6 1HB ARG 6 -2.307 8.941 14.088 42 2HB ARG 6 2HB ARG 6 -1.569 10.377 13.405 43 1HG ARG 6 1HG ARG 6 0.333 8.482 12.773 44 2HG ARG 6 2HG ARG 6 -1.122 7.506 12.721 45 1HD ARG 6 1HD ARG 6 -1.006 8.340 10.516 46 2HD ARG 6 2HD ARG 6 -2.125 9.458 11.272 47 HE ARG 6 HE ARG 6 -0.482 11.161 11.199 48 1HH1 ARG 6 2HH2 ARG 6 0.900 8.066 10.253 49 2HH1 ARG 6 1HH2 ARG 6 2.363 8.760 9.641 50 1HH2 ARG 6 2HH1 ARG 6 1.451 12.079 10.391 51 2HH2 ARG 6 1HH1 ARG 6 2.678 11.059 9.720 52 H GLN 7 H GLN 7 -1.636 7.217 15.415 53 HA GLN 7 HA GLN 7 0.892 5.816 15.794 54 1HB GLN 7 1HB GLN 7 -0.694 4.083 16.938 55 2HB GLN 7 2HB GLN 7 -0.300 5.556 17.801 56 1HG GLN 7 1HG GLN 7 -2.769 5.366 16.032 57 2HG GLN 7 2HG GLN 7 -2.803 4.845 17.705 58 1HE2 GLN 7 1HE2 GLN 7 -3.487 7.317 15.718 59 2HE2 GLN 7 2HE2 GLN 7 -3.348 8.679 16.779 60 H LYS 8 H LYS 8 -1.931 3.830 15.498 61 HA LYS 8 HA LYS 8 -0.940 2.820 12.985 62 1HB LYS 8 1HB LYS 8 -2.909 1.179 13.407 63 2HB LYS 8 2HB LYS 8 -1.475 1.083 14.410 64 1HG LYS 8 1HG LYS 8 -3.691 1.028 15.679 65 2HG LYS 8 2HG LYS 8 -2.545 2.227 16.240 66 1HD LYS 8 1HD LYS 8 -4.710 3.310 16.094 67 2HD LYS 8 2HD LYS 8 -3.714 3.955 14.806 68 1HE LYS 8 1HE LYS 8 -5.767 3.482 13.718 69 2HE LYS 8 2HE LYS 8 -4.766 2.109 13.297 70 1HZ LYS 8 1HZ LYS 8 -7.169 2.044 14.582 71 2HZ LYS 8 2HZ LYS 8 -6.152 0.786 14.352 72 3HZ LYS 8 3HZ LYS 8 -6.081 1.653 15.736 73 H GLU 9 H GLU 9 -2.466 5.552 13.550 74 HA GLU 9 HA GLU 9 -4.903 5.453 12.343 75 1HB GLU 9 1HB GLU 9 -2.983 7.469 13.116 76 2HB GLU 9 2HB GLU 9 -3.621 7.891 11.541 77 1HG GLU 9 1HG GLU 9 -5.970 7.321 12.611 78 2HG GLU 9 2HG GLU 9 -5.132 7.495 14.140 79 H TYR 10 H TYR 10 -5.599 4.972 10.302 80 HA TYR 10 HA TYR 10 -3.848 5.572 8.061 81 1HB TYR 10 1HB TYR 10 -3.771 3.265 7.372 82 2HB TYR 10 2HB TYR 10 -3.571 3.142 9.109 83 HD1 TYR 10 1HD TYR 10 -5.892 2.951 10.459 84 HD2 TYR 10 2HD TYR 10 -5.326 1.875 6.356 85 HE1 TYR 10 1HE TYR 10 -7.915 1.416 10.574 86 HE2 TYR 10 2HE TYR 10 -7.351 0.344 6.486 87 HH TYR 10 HH TYR 10 -9.630 0.546 8.571 88 H LYS 11 H LYS 11 -5.041 6.516 6.483 89 HA LYS 11 HA LYS 11 -7.755 5.574 6.069 90 1HB LYS 11 1HB LYS 11 -7.045 8.273 7.136 91 2HB LYS 11 2HB LYS 11 -8.313 8.184 5.931 92 1HG LYS 11 1HG LYS 11 -8.667 6.053 7.892 93 2HG LYS 11 2HG LYS 11 -8.521 7.594 8.713 94 1HD LYS 11 1HD LYS 11 -10.784 7.693 8.268 95 2HD LYS 11 2HD LYS 11 -10.216 8.375 6.757 96 1HE LYS 11 1HE LYS 11 -10.144 5.895 5.899 97 2HE LYS 11 2HE LYS 11 -11.131 5.525 7.299 98 1HZ LYS 11 1HZ LYS 11 -12.768 7.041 6.542 99 2HZ LYS 11 2HZ LYS 11 -11.824 7.590 5.329 100 3HZ LYS 11 3HZ LYS 11 -12.400 6.062 5.290 101 H CYS 12 H CYS 12 -8.667 6.935 4.052 102 HA CYS 12 HA CYS 12 -7.260 6.203 1.885 103 1HB CYS 12 1HB CYS 12 -9.650 7.286 2.165 104 2HB CYS 12 2HB CYS 12 -8.816 8.770 1.750 105 HG CYS 12 HG CYS 12 -9.043 8.411 -0.579 106 H GLY 13 H GLY 13 -5.306 6.807 1.008 107 1HA GLY 13 1HA GLY 13 -3.849 8.462 0.183 108 2HA GLY 13 2HA GLY 13 -4.388 9.571 1.429 109 H ASP 14 H ASP 14 -4.037 6.416 2.729 110 HA ASP 14 HA ASP 14 -1.528 7.253 3.910 111 1HB ASP 14 1HB ASP 14 -3.357 6.650 5.457 112 2HB ASP 14 2HB ASP 14 -3.547 5.094 4.676 113 H LEU 15 H LEU 15 0.374 6.002 3.595 114 HA LEU 15 HA LEU 15 0.107 3.814 1.681 115 1HB LEU 15 1HB LEU 15 1.726 5.980 1.668 116 2HB LEU 15 2HB LEU 15 2.768 4.829 2.480 117 HG LEU 15 HG LEU 15 3.410 4.402 0.353 118 1HD1 LEU 15 1HD1 LEU 15 2.447 2.401 -0.508 119 2HD1 LEU 15 2HD1 LEU 15 2.305 2.335 1.266 120 3HD1 LEU 15 3HD1 LEU 15 0.884 2.738 0.273 121 1HD2 LEU 15 1HD2 LEU 15 0.769 4.682 -1.000 122 2HD2 LEU 15 2HD2 LEU 15 1.547 6.158 -0.380 123 3HD2 LEU 15 3HD2 LEU 15 2.402 5.128 -1.552 124 H VAL 16 H VAL 16 0.701 1.710 2.149 125 HA VAL 16 HA VAL 16 2.145 1.129 4.551 126 HB VAL 16 HB VAL 16 0.103 -0.460 5.167 127 1HG1 VAL 16 1HG1 VAL 16 -0.070 2.416 6.056 128 2HG1 VAL 16 2HG1 VAL 16 -0.303 0.926 7.001 129 3HG1 VAL 16 3HG1 VAL 16 1.332 1.409 6.489 130 1HG2 VAL 16 1HG2 VAL 16 -1.184 0.647 3.188 131 2HG2 VAL 16 2HG2 VAL 16 -2.027 0.369 4.731 132 3HG2 VAL 16 3HG2 VAL 16 -1.426 1.994 4.325 133 H PHE 17 H PHE 17 1.996 -1.492 4.804 134 HA PHE 17 HA PHE 17 2.732 -2.426 2.158 135 1HB PHE 17 1HB PHE 17 3.505 -2.810 4.927 136 2HB PHE 17 2HB PHE 17 2.919 -4.359 4.354 137 HD1 PHE 17 1HD PHE 17 3.810 -4.435 1.581 138 HD2 PHE 17 2HD PHE 17 5.811 -2.952 5.017 139 HE1 PHE 17 1HE PHE 17 6.022 -4.865 0.478 140 HE2 PHE 17 2HE PHE 17 8.024 -3.381 3.914 141 HZ PHE 17 HZ PHE 17 8.104 -4.334 1.657 142 H ALA 18 H ALA 18 1.594 -3.925 0.976 143 HA ALA 18 HA ALA 18 -0.638 -5.251 2.351 144 1HB ALA 18 1HB ALA 18 -1.011 -4.487 -0.501 145 2HB ALA 18 2HB ALA 18 -2.173 -4.481 0.847 146 3HB ALA 18 3HB ALA 18 -1.011 -3.144 0.667 147 H LYS 19 H LYS 19 -0.723 -7.434 2.000 148 HA LYS 19 HA LYS 19 1.019 -8.451 -0.137 149 1HB LYS 19 1HB LYS 19 1.784 -10.154 1.232 150 2HB LYS 19 2HB LYS 19 1.717 -8.792 2.331 151 1HG LYS 19 1HG LYS 19 -0.640 -10.696 2.035 152 2HG LYS 19 2HG LYS 19 0.686 -11.055 3.123 153 1HD LYS 19 1HD LYS 19 0.090 -8.395 3.749 154 2HD LYS 19 2HD LYS 19 -1.490 -9.069 3.403 155 1HE LYS 19 1HE LYS 19 -1.047 -9.396 5.773 156 2HE LYS 19 2HE LYS 19 -0.993 -10.966 4.998 157 1HZ LYS 19 1HZ LYS 19 1.470 -10.547 4.816 158 2HZ LYS 19 2HZ LYS 19 1.262 -9.328 5.882 159 3HZ LYS 19 3HZ LYS 19 0.892 -10.860 6.311 160 H MET 20 H MET 20 0.277 -10.386 -1.243 161 HA MET 20 HA MET 20 -2.563 -10.883 -0.838 162 1HB MET 20 1HB MET 20 -2.138 -9.332 -2.813 163 2HB MET 20 2HB MET 20 -1.131 -10.570 -3.537 164 1HG MET 20 1HG MET 20 -2.937 -11.892 -4.142 165 2HG MET 20 2HG MET 20 -3.865 -11.471 -2.716 166 1HE MET 20 1HE MET 20 -5.329 -10.704 -6.335 167 2HE MET 20 2HE MET 20 -5.024 -11.966 -5.116 168 3HE MET 20 3HE MET 20 -6.309 -10.763 -4.850 169 H LYS 21 H LYS 21 -3.300 -13.016 -1.698 170 HA LYS 21 HA LYS 21 -1.583 -15.060 -0.954 171 1HB LYS 21 1HB LYS 21 -4.112 -15.077 -1.075 172 2HB LYS 21 2HB LYS 21 -3.968 -15.306 -2.806 173 1HG LYS 21 1HG LYS 21 -4.055 -17.530 -2.137 174 2HG LYS 21 2HG LYS 21 -2.319 -17.287 -2.096 175 1HD LYS 21 1HD LYS 21 -3.804 -16.566 0.407 176 2HD LYS 21 2HD LYS 21 -3.748 -18.273 0.013 177 1HE LYS 21 1HE LYS 21 -1.681 -18.310 0.960 178 2HE LYS 21 2HE LYS 21 -1.111 -17.439 -0.448 179 1HZ LYS 21 1HZ LYS 21 -0.827 -15.649 0.780 180 2HZ LYS 21 2HZ LYS 21 -2.347 -15.689 1.373 181 3HZ LYS 21 3HZ LYS 21 -1.160 -16.529 2.116 182 H GLY 22 H GLY 22 0.199 -15.875 -1.903 183 1HA GLY 22 1HA GLY 22 1.331 -16.868 -3.666 184 2HA GLY 22 2HA GLY 22 0.270 -16.081 -4.818 185 H TYR 23 H TYR 23 0.629 -13.462 -3.124 186 HA TYR 23 HA TYR 23 3.240 -12.778 -4.297 187 1HB TYR 23 1HB TYR 23 0.769 -11.814 -4.946 188 2HB TYR 23 2HB TYR 23 1.028 -10.828 -3.521 189 HD1 TYR 23 1HD TYR 23 2.873 -11.829 -6.638 190 HD2 TYR 23 2HD TYR 23 1.978 -8.733 -3.824 191 HE1 TYR 23 1HE TYR 23 4.216 -10.172 -8.024 192 HE2 TYR 23 2HE TYR 23 3.323 -7.086 -5.218 193 HH TYR 23 HH TYR 23 5.458 -7.594 -7.037 194 HA PRO 24 HA PRO 24 4.435 -11.842 -0.226 195 1HB PRO 24 1HB PRO 24 6.843 -10.667 -0.757 196 2HB PRO 24 2HB PRO 24 6.623 -12.403 -0.670 197 1HG PRO 24 1HG PRO 24 6.972 -10.696 -3.058 198 2HG PRO 24 2HG PRO 24 7.176 -12.431 -2.909 199 1HD PRO 24 1HD PRO 24 4.950 -11.059 -4.090 200 2HD PRO 24 2HD PRO 24 5.101 -12.787 -3.836 201 H HIS 25 H HIS 25 4.702 -10.153 1.331 202 HA HIS 25 HA HIS 25 3.030 -8.095 1.002 203 1HB HIS 25 1HB HIS 25 5.073 -8.843 2.840 204 2HB HIS 25 2HB HIS 25 5.274 -7.133 2.514 205 HD1 HIS 25 1HD HIS 25 3.020 -5.616 2.893 206 HD2 HIS 25 2HD HIS 25 3.045 -9.446 4.601 207 HE1 HIS 25 1HE HIS 25 1.176 -5.624 4.658 208 H TRP 26 H TRP 26 2.852 -6.499 -0.482 209 HA TRP 26 HA TRP 26 5.365 -5.407 -1.551 210 1HB TRP 26 1HB TRP 26 3.294 -6.716 -2.934 211 2HB TRP 26 2HB TRP 26 3.102 -5.012 -3.294 212 HD1 TRP 26 HD TRP 26 4.411 -4.384 -5.455 213 HE1 TRP 26 1HE TRP 26 6.626 -5.077 -6.710 214 HE3 TRP 26 3HE TRP 26 5.862 -7.881 -2.061 215 HZ2 TRP 26 2HZ TRP 26 8.691 -6.967 -6.154 216 HZ3 TRP 26 3HZ TRP 26 7.990 -9.105 -2.492 217 HH2 TRP 26 HH TRP 26 9.387 -8.697 -4.456 218 HA PRO 27 HA PRO 27 3.824 -1.578 -0.204 219 1HB PRO 27 1HB PRO 27 4.925 0.182 -1.982 220 2HB PRO 27 2HB PRO 27 5.816 -0.512 -0.642 221 1HG PRO 27 1HG PRO 27 5.977 -1.178 -3.518 222 2HG PRO 27 2HG PRO 27 7.125 -1.535 -2.242 223 1HD PRO 27 1HD PRO 27 5.275 -3.364 -3.447 224 2HD PRO 27 2HD PRO 27 6.340 -3.690 -2.095 225 H ALA 28 H ALA 28 1.666 -1.354 -0.175 226 HA ALA 28 HA ALA 28 0.560 -0.450 -2.746 227 1HB ALA 28 1HB ALA 28 -0.027 -2.828 -1.317 228 2HB ALA 28 2HB ALA 28 -1.406 -1.736 -1.054 229 3HB ALA 28 3HB ALA 28 -0.905 -2.153 -2.710 230 H ARG 29 H ARG 29 -1.319 1.012 -2.529 231 HA ARG 29 HA ARG 29 -1.064 2.513 -0.055 232 1HB ARG 29 1HB ARG 29 -1.861 4.466 -1.336 233 2HB ARG 29 2HB ARG 29 -0.502 3.737 -2.170 234 1HG ARG 29 1HG ARG 29 -1.872 2.788 -3.860 235 2HG ARG 29 2HG ARG 29 -3.318 2.864 -2.871 236 1HD ARG 29 1HD ARG 29 -1.921 5.443 -3.637 237 2HD ARG 29 2HD ARG 29 -2.935 4.638 -4.819 238 HE ARG 29 HE ARG 29 -4.858 5.013 -3.432 239 1HH1 ARG 29 2HH2 ARG 29 -1.902 6.274 -1.997 240 2HH1 ARG 29 1HH2 ARG 29 -2.733 7.265 -0.844 241 1HH2 ARG 29 2HH1 ARG 29 -5.955 6.320 -1.911 242 2HH2 ARG 29 1HH1 ARG 29 -5.053 7.292 -0.795 243 H ILE 30 H ILE 30 -3.028 3.301 1.004 244 HA ILE 30 HA ILE 30 -5.179 1.459 0.811 245 HB ILE 30 HB ILE 30 -4.143 3.114 2.736 246 1HG1 ILE 30 1HG1 ILE 30 -5.298 0.958 3.046 247 2HG1 ILE 30 2HG1 ILE 30 -5.838 2.182 4.176 248 1HG2 ILE 30 1HG2 ILE 30 -6.790 4.264 1.819 249 2HG2 ILE 30 2HG2 ILE 30 -6.061 4.567 3.414 250 3HG2 ILE 30 3HG2 ILE 30 -5.221 5.096 1.936 251 1HD1 ILE 30 1HD1 ILE 30 -7.962 1.829 3.488 252 2HD1 ILE 30 2HD1 ILE 30 -7.512 2.442 1.878 253 3HD1 ILE 30 3HD1 ILE 30 -7.395 0.702 2.233 254 H ASP 31 H ASP 31 -7.316 1.791 0.069 255 HA ASP 31 HA ASP 31 -7.861 4.303 -1.211 256 1HB ASP 31 1HB ASP 31 -7.485 1.682 -2.660 257 2HB ASP 31 2HB ASP 31 -8.741 2.760 -3.233 258 H GLU 32 H GLU 32 -10.193 4.614 -1.447 259 HA GLU 32 HA GLU 32 -11.696 2.756 0.158 260 1HB GLU 32 1HB GLU 32 -13.395 4.489 0.247 261 2HB GLU 32 2HB GLU 32 -11.834 5.236 0.536 262 1HG GLU 32 1HG GLU 32 -11.839 5.621 -2.093 263 2HG GLU 32 2HG GLU 32 -13.567 5.373 -1.947 264 H MET 33 H MET 33 -13.957 2.110 -0.589 265 HA MET 33 HA MET 33 -13.709 1.110 -3.254 266 1HB MET 33 1HB MET 33 -15.991 0.048 -2.593 267 2HB MET 33 2HB MET 33 -14.611 -0.424 -1.622 268 1HG MET 33 1HG MET 33 -15.300 0.838 0.237 269 2HG MET 33 2HG MET 33 -16.185 1.996 -0.737 270 1HE MET 33 1HE MET 33 -17.332 1.488 1.518 271 2HE MET 33 2HE MET 33 -18.900 1.610 0.683 272 3HE MET 33 3HE MET 33 -18.565 0.224 1.750 273 HA PRO 34 HA PRO 34 -16.092 4.404 -4.891 274 1HB PRO 34 1HB PRO 34 -15.935 3.685 -7.522 275 2HB PRO 34 2HB PRO 34 -14.701 4.627 -6.711 276 1HG PRO 34 1HG PRO 34 -14.643 1.777 -7.493 277 2HG PRO 34 2HG PRO 34 -13.303 2.829 -7.082 278 1HD PRO 34 1HD PRO 34 -14.473 0.810 -5.415 279 2HD PRO 34 2HD PRO 34 -13.214 1.939 -4.963 280 H GLU 35 H GLU 35 -18.147 4.879 -5.860 281 HA GLU 35 HA GLU 35 -19.743 2.437 -5.923 282 1HB GLU 35 1HB GLU 35 -21.612 3.686 -4.946 283 2HB GLU 35 2HB GLU 35 -20.212 3.805 -3.899 284 1HG GLU 35 1HG GLU 35 -19.707 6.052 -4.678 285 2HG GLU 35 2HG GLU 35 -20.864 5.929 -5.988 286 H ALA 36 H ALA 36 -18.294 3.930 -8.104 287 HA ALA 36 HA ALA 36 -20.624 4.852 -9.639 288 1HB ALA 36 1HB ALA 36 -18.016 5.428 -10.807 289 2HB ALA 36 2HB ALA 36 -19.325 6.546 -10.352 290 3HB ALA 36 3HB ALA 36 -18.123 6.043 -9.141 291 H ALA 37 H ALA 37 -17.364 3.578 -10.570 292 HA ALA 37 HA ALA 37 -18.255 2.217 -12.786 293 1HB ALA 37 1HB ALA 37 -15.960 2.494 -12.712 294 2HB ALA 37 2HB ALA 37 -15.858 2.091 -10.981 295 3HB ALA 37 3HB ALA 37 -16.079 0.798 -12.184 296 H VAL 38 H VAL 38 -18.332 1.329 -9.344 297 HA VAL 38 HA VAL 38 -19.925 -0.990 -10.079 298 HB VAL 38 HB VAL 38 -18.683 -2.440 -8.563 299 1HG1 VAL 38 1HG1 VAL 38 -16.961 -2.998 -10.046 300 2HG1 VAL 38 2HG1 VAL 38 -18.118 -2.117 -11.072 301 3HG1 VAL 38 3HG1 VAL 38 -16.651 -1.301 -10.482 302 1HG2 VAL 38 1HG2 VAL 38 -17.752 -0.880 -6.995 303 2HG2 VAL 38 2HG2 VAL 38 -16.399 -1.719 -7.789 304 3HG2 VAL 38 3HG2 VAL 38 -16.824 -0.060 -8.272 305 H LYS 39 H LYS 39 -20.714 -2.008 -7.793 306 HA LYS 39 HA LYS 39 -22.109 0.155 -6.560 307 1HB LYS 39 1HB LYS 39 -23.413 -1.493 -5.540 308 2HB LYS 39 2HB LYS 39 -22.989 -2.190 -7.089 309 1HG LYS 39 1HG LYS 39 -20.866 -2.931 -5.357 310 2HG LYS 39 2HG LYS 39 -22.317 -3.126 -4.394 311 1HD LYS 39 1HD LYS 39 -22.903 -4.999 -5.533 312 2HD LYS 39 2HD LYS 39 -22.809 -4.157 -7.067 313 1HE LYS 39 1HE LYS 39 -20.518 -4.709 -7.384 314 2HE LYS 39 2HE LYS 39 -20.254 -5.023 -5.679 315 1HZ LYS 39 1HZ LYS 39 -20.757 -7.117 -6.045 316 2HZ LYS 39 2HZ LYS 39 -22.245 -6.732 -6.598 317 3HZ LYS 39 3HZ LYS 39 -20.987 -6.827 -7.635 318 H SER 40 H SER 40 -22.068 -1.271 -3.863 319 HA SER 40 HA SER 40 -19.361 -0.707 -3.037 320 1HB SER 40 1HB SER 40 -20.232 0.723 -1.126 321 2HB SER 40 2HB SER 40 -20.337 1.463 -2.711 322 HG SER 40 HG SER 40 -22.402 0.555 -0.993 323 H THR 41 H THR 41 -18.709 -2.149 -1.444 324 HA THR 41 HA THR 41 -20.854 -3.716 -0.166 325 HB THR 41 HB THR 41 -18.034 -4.628 -0.938 326 HG1 THR 41 1HG THR 41 -19.428 -4.098 -2.785 327 1HG2 THR 41 1HG2 THR 41 -18.843 -6.213 0.638 328 2HG2 THR 41 2HG2 THR 41 -20.537 -5.966 0.150 329 3HG2 THR 41 3HG2 THR 41 -19.432 -6.879 -0.904 330 H ALA 42 H ALA 42 -20.098 -4.772 1.941 331 HA ALA 42 HA ALA 42 -18.688 -2.686 3.445 332 1HB ALA 42 1HB ALA 42 -20.124 -3.109 5.182 333 2HB ALA 42 2HB ALA 42 -21.171 -3.668 3.855 334 3HB ALA 42 3HB ALA 42 -20.238 -4.845 4.808 335 H ASN 43 H ASN 43 -17.679 -3.839 5.589 336 HA ASN 43 HA ASN 43 -15.810 -4.826 6.178 337 1HB ASN 43 1HB ASN 43 -15.973 -7.429 5.934 338 2HB ASN 43 2HB ASN 43 -17.232 -6.622 6.846 339 1HD2 ASN 43 1HD2 ASN 43 -16.360 -7.843 3.647 340 2HD2 ASN 43 2HD2 ASN 43 -17.958 -8.226 3.100 341 H LYS 44 H LYS 44 -15.055 -3.599 3.932 342 HA LYS 44 HA LYS 44 -13.103 -5.263 2.802 343 1HB LYS 44 1HB LYS 44 -13.867 -5.523 0.550 344 2HB LYS 44 2HB LYS 44 -15.081 -6.204 1.616 345 1HG LYS 44 1HG LYS 44 -16.653 -4.786 0.809 346 2HG LYS 44 2HG LYS 44 -15.678 -3.395 1.243 347 1HD LYS 44 1HD LYS 44 -15.274 -5.026 -1.308 348 2HD LYS 44 2HD LYS 44 -16.221 -3.555 -1.231 349 1HE LYS 44 1HE LYS 44 -14.174 -2.650 -1.862 350 2HE LYS 44 2HE LYS 44 -13.998 -2.555 -0.122 351 1HZ LYS 44 1HZ LYS 44 -13.187 -5.024 -1.390 352 2HZ LYS 44 2HZ LYS 44 -12.232 -3.721 -1.626 353 3HZ LYS 44 3HZ LYS 44 -12.533 -4.248 -0.110 354 H TYR 45 H TYR 45 -11.477 -4.000 1.919 355 HA TYR 45 HA TYR 45 -12.157 -1.169 1.513 356 1HB TYR 45 1HB TYR 45 -10.497 -2.516 3.494 357 2HB TYR 45 2HB TYR 45 -9.414 -1.661 2.413 358 HD1 TYR 45 1HD TYR 45 -12.829 -0.486 3.261 359 HD2 TYR 45 2HD TYR 45 -8.639 -0.026 3.984 360 HE1 TYR 45 1HE TYR 45 -13.277 1.677 4.520 361 HE2 TYR 45 2HE TYR 45 -9.100 2.135 5.240 362 HH TYR 45 HH TYR 45 -10.867 3.193 6.409 363 H GLN 46 H GLN 46 -10.889 -0.052 -0.072 364 HA GLN 46 HA GLN 46 -9.930 -1.839 -2.086 365 1HB GLN 46 1HB GLN 46 -10.896 0.918 -1.931 366 2HB GLN 46 2HB GLN 46 -9.427 0.832 -2.883 367 1HG GLN 46 1HG GLN 46 -11.277 -1.379 -3.507 368 2HG GLN 46 2HG GLN 46 -12.017 0.188 -3.766 369 1HE2 GLN 46 1HE2 GLN 46 -9.953 1.765 -4.524 370 2HE2 GLN 46 2HE2 GLN 46 -9.273 1.242 -6.028 371 H VAL 47 H VAL 47 -7.791 -2.161 -2.723 372 HA VAL 47 HA VAL 47 -5.766 -0.506 -1.416 373 HB VAL 47 HB VAL 47 -6.118 -3.479 -1.236 374 1HG1 VAL 47 1HG1 VAL 47 -3.704 -3.535 -0.397 375 2HG1 VAL 47 2HG1 VAL 47 -3.940 -3.403 -2.157 376 3HG1 VAL 47 3HG1 VAL 47 -3.498 -1.963 -1.208 377 1HG2 VAL 47 1HG2 VAL 47 -4.895 -1.967 0.978 378 2HG2 VAL 47 2HG2 VAL 47 -6.537 -1.429 0.545 379 3HG2 VAL 47 3HG2 VAL 47 -6.243 -3.129 0.986 380 H PHE 48 H PHE 48 -4.301 0.229 -2.872 381 HA PHE 48 HA PHE 48 -4.306 -1.099 -5.482 382 1HB PHE 48 1HB PHE 48 -4.938 1.369 -5.223 383 2HB PHE 48 2HB PHE 48 -3.356 1.670 -4.531 384 HD1 PHE 48 1HD PHE 48 -2.660 3.262 -6.171 385 HD2 PHE 48 2HD PHE 48 -3.900 -0.616 -7.367 386 HE1 PHE 48 1HE PHE 48 -1.733 3.674 -8.467 387 HE2 PHE 48 2HE PHE 48 -2.973 -0.205 -9.662 388 HZ PHE 48 HZ PHE 48 -1.900 1.935 -10.185 389 H PHE 49 H PHE 49 -2.445 -1.993 -6.322 390 HA PHE 49 HA PHE 49 -0.142 -1.970 -4.534 391 1HB PHE 49 1HB PHE 49 -1.293 -3.678 -6.772 392 2HB PHE 49 2HB PHE 49 0.434 -3.777 -6.494 393 HD1 PHE 49 1HD PHE 49 0.811 -5.846 -5.524 394 HD2 PHE 49 2HD PHE 49 -2.373 -3.456 -4.059 395 HE1 PHE 49 1HE PHE 49 0.418 -7.502 -3.680 396 HE2 PHE 49 2HE PHE 49 -2.767 -5.113 -2.214 397 HZ PHE 49 HZ PHE 49 -1.366 -7.115 -2.046 398 H PHE 50 H PHE 50 1.702 -0.862 -5.009 399 HA PHE 50 HA PHE 50 1.752 0.698 -7.402 400 1HB PHE 50 1HB PHE 50 3.360 0.254 -4.871 401 2HB PHE 50 2HB PHE 50 4.215 0.988 -6.212 402 HD1 PHE 50 1HD PHE 50 2.332 1.661 -3.364 403 HD2 PHE 50 2HD PHE 50 2.873 3.004 -7.354 404 HE1 PHE 50 1HE PHE 50 1.391 3.902 -2.737 405 HE2 PHE 50 2HE PHE 50 1.931 5.245 -6.726 406 HZ PHE 50 HZ PHE 50 1.202 5.667 -4.425 407 H GLY 51 H GLY 51 4.027 -1.751 -5.954 408 1HA GLY 51 1HA GLY 51 5.843 -2.046 -7.903 409 2HA GLY 51 2HA GLY 51 5.208 -3.393 -6.979 410 H THR 52 H THR 52 2.673 -3.840 -7.829 411 HA THR 52 HA THR 52 3.107 -4.757 -10.530 412 HB THR 52 HB THR 52 1.026 -6.000 -10.092 413 HG1 THR 52 1HG THR 52 -0.373 -5.088 -8.622 414 1HG2 THR 52 1HG2 THR 52 1.979 -7.396 -8.547 415 2HG2 THR 52 2HG2 THR 52 3.297 -6.207 -8.412 416 3HG2 THR 52 3HG2 THR 52 1.914 -6.136 -7.292 417 H HIS 53 H HIS 53 1.360 -2.151 -8.871 418 HA HIS 53 HA HIS 53 0.412 -0.342 -9.691 419 1HB HIS 53 1HB HIS 53 2.273 -0.529 -11.435 420 2HB HIS 53 2HB HIS 53 1.076 -1.236 -12.501 421 HD1 HIS 53 1HD HIS 53 0.750 0.616 -14.185 422 HD2 HIS 53 2HD HIS 53 0.450 1.964 -10.225 423 HE1 HIS 53 1HE HIS 53 -0.027 3.043 -14.313 424 H GLU 54 H GLU 54 -1.069 -2.673 -9.041 425 HA GLU 54 HA GLU 54 -3.296 -2.282 -10.870 426 1HB GLU 54 1HB GLU 54 -2.156 -4.919 -9.884 427 2HB GLU 54 2HB GLU 54 -3.826 -4.794 -10.397 428 1HG GLU 54 1HG GLU 54 -2.036 -3.510 -12.336 429 2HG GLU 54 2HG GLU 54 -1.568 -5.175 -12.058 430 H THR 55 H THR 55 -5.393 -2.361 -9.875 431 HA THR 55 HA THR 55 -5.267 -1.981 -6.981 432 HB THR 55 HB THR 55 -7.002 -1.091 -9.272 433 HG1 THR 55 1HG THR 55 -5.767 0.542 -8.371 434 1HG2 THR 55 1HG2 THR 55 -7.991 -1.089 -6.378 435 2HG2 THR 55 2HG2 THR 55 -8.861 -0.514 -7.820 436 3HG2 THR 55 3HG2 THR 55 -8.576 -2.256 -7.589 437 H ALA 56 H ALA 56 -5.797 -3.532 -5.585 438 HA ALA 56 HA ALA 56 -7.673 -5.580 -6.542 439 1HB ALA 56 1HB ALA 56 -6.285 -7.294 -5.902 440 2HB ALA 56 2HB ALA 56 -5.040 -6.088 -6.306 441 3HB ALA 56 3HB ALA 56 -5.519 -6.339 -4.611 442 H PHE 57 H PHE 57 -8.984 -6.554 -4.834 443 HA PHE 57 HA PHE 57 -9.531 -4.614 -2.767 444 1HB PHE 57 1HB PHE 57 -11.641 -5.615 -2.892 445 2HB PHE 57 2HB PHE 57 -11.033 -6.270 -4.399 446 HD1 PHE 57 1HD PHE 57 -11.151 -7.053 -0.754 447 HD2 PHE 57 2HD PHE 57 -11.042 -8.564 -4.719 448 HE1 PHE 57 1HE PHE 57 -11.480 -9.383 0.123 449 HE2 PHE 57 2HE PHE 57 -11.371 -10.893 -3.841 450 HZ PHE 57 HZ PHE 57 -11.586 -11.273 -1.430 451 H LEU 58 H LEU 58 -8.771 -4.746 -0.711 452 HA LEU 58 HA LEU 58 -8.223 -7.396 0.366 453 1HB LEU 58 1HB LEU 58 -6.208 -5.146 0.342 454 2HB LEU 58 2HB LEU 58 -6.052 -6.638 1.249 455 HG LEU 58 HG LEU 58 -6.223 -6.460 -1.772 456 1HD1 LEU 58 1HD1 LEU 58 -4.162 -5.438 -0.789 457 2HD1 LEU 58 2HD1 LEU 58 -3.777 -7.025 -0.080 458 3HD1 LEU 58 3HD1 LEU 58 -3.862 -6.837 -1.848 459 1HD2 LEU 58 1HD2 LEU 58 -5.452 -8.834 -0.060 460 2HD2 LEU 58 2HD2 LEU 58 -7.079 -8.574 -0.735 461 3HD2 LEU 58 3HD2 LEU 58 -5.687 -8.787 -1.824 462 H GLY 59 H GLY 59 -7.492 -6.960 2.854 463 1HA GLY 59 1HA GLY 59 -9.434 -4.981 3.894 464 2HA GLY 59 2HA GLY 59 -9.176 -6.566 4.595 465 HA PRO 60 HA PRO 60 -6.388 -3.775 6.802 466 1HB PRO 60 1HB PRO 60 -7.107 -4.496 9.338 467 2HB PRO 60 2HB PRO 60 -7.818 -3.137 8.491 468 1HG PRO 60 1HG PRO 60 -8.982 -5.802 9.026 469 2HG PRO 60 2HG PRO 60 -9.798 -4.319 8.573 470 1HD PRO 60 1HD PRO 60 -9.231 -6.555 6.868 471 2HD PRO 60 2HD PRO 60 -9.942 -5.026 6.390 472 H LYS 61 H LYS 61 -7.104 -7.149 7.312 473 HA LYS 61 HA LYS 61 -4.706 -7.733 8.648 474 1HB LYS 61 1HB LYS 61 -6.609 -9.204 8.789 475 2HB LYS 61 2HB LYS 61 -6.627 -9.449 7.054 476 1HG LYS 61 1HG LYS 61 -4.073 -10.218 7.524 477 2HG LYS 61 2HG LYS 61 -4.731 -10.559 9.111 478 1HD LYS 61 1HD LYS 61 -6.193 -11.525 6.635 479 2HD LYS 61 2HD LYS 61 -4.810 -12.420 7.232 480 1HE LYS 61 1HE LYS 61 -6.016 -13.313 8.944 481 2HE LYS 61 2HE LYS 61 -6.600 -11.738 9.445 482 1HZ LYS 61 1HZ LYS 61 -7.887 -12.346 7.093 483 2HZ LYS 61 2HZ LYS 61 -7.950 -13.705 7.997 484 3HZ LYS 61 3HZ LYS 61 -8.532 -12.300 8.594 485 H ASP 62 H ASP 62 -5.650 -7.671 5.173 486 HA ASP 62 HA ASP 62 -3.301 -8.793 4.238 487 1HB ASP 62 1HB ASP 62 -5.512 -7.099 3.117 488 2HB ASP 62 2HB ASP 62 -4.031 -7.151 2.181 489 H LEU 63 H LEU 63 -4.117 -5.632 5.537 490 HA LEU 63 HA LEU 63 -1.695 -4.452 4.398 491 1HB LEU 63 1HB LEU 63 -4.310 -3.494 4.821 492 2HB LEU 63 2HB LEU 63 -3.299 -2.659 5.985 493 HG LEU 63 HG LEU 63 -1.983 -1.649 4.324 494 1HD1 LEU 63 1HD1 LEU 63 -2.758 -2.492 1.809 495 2HD1 LEU 63 2HD1 LEU 63 -1.263 -2.947 2.662 496 3HD1 LEU 63 3HD1 LEU 63 -2.694 -4.003 2.747 497 1HD2 LEU 63 1HD2 LEU 63 -3.539 -0.432 2.967 498 2HD2 LEU 63 2HD2 LEU 63 -4.755 -1.725 3.108 499 3HD2 LEU 63 3HD2 LEU 63 -4.308 -0.763 4.537 500 H PHE 64 H PHE 64 -0.058 -3.568 5.740 501 HA PHE 64 HA PHE 64 -0.341 -4.111 8.590 502 1HB PHE 64 1HB PHE 64 1.224 -5.585 6.617 503 2HB PHE 64 2HB PHE 64 2.348 -4.725 7.650 504 HD1 PHE 64 1HD PHE 64 3.029 -5.726 9.619 505 HD2 PHE 64 2HD PHE 64 -0.668 -6.910 7.904 506 HE1 PHE 64 1HE PHE 64 2.792 -7.511 11.366 507 HE2 PHE 64 2HE PHE 64 -0.905 -8.697 9.652 508 HZ PHE 64 HZ PHE 64 0.828 -8.976 11.362 509 HA PRO 65 HA PRO 65 1.708 -0.296 8.807 510 1HB PRO 65 1HB PRO 65 2.472 -0.291 11.432 511 2HB PRO 65 2HB PRO 65 0.852 0.121 10.905 512 1HG PRO 65 1HG PRO 65 1.805 -2.359 12.200 513 2HG PRO 65 2HG PRO 65 0.165 -1.756 12.055 514 1HD PRO 65 1HD PRO 65 1.360 -3.867 10.523 515 2HD PRO 65 2HD PRO 65 -0.240 -3.185 10.300 516 H TYR 66 H TYR 66 3.743 0.845 9.021 517 HA TYR 66 HA TYR 66 5.848 -0.933 8.223 518 1HB TYR 66 1HB TYR 66 5.717 1.235 7.150 519 2HB TYR 66 2HB TYR 66 5.324 2.045 8.653 520 HD1 TYR 66 1HD TYR 66 8.042 0.713 6.568 521 HD2 TYR 66 2HD TYR 66 7.077 2.717 10.222 522 HE1 TYR 66 1HE TYR 66 10.477 1.387 6.849 523 HE2 TYR 66 2HE TYR 66 9.516 3.385 10.492 524 HH TYR 66 HH TYR 66 11.973 2.155 8.300 525 H GLU 67 H GLU 67 4.971 1.017 11.112 526 HA GLU 67 HA GLU 67 7.370 0.909 12.407 527 1HB GLU 67 1HB GLU 67 4.497 1.101 13.290 528 2HB GLU 67 2HB GLU 67 5.718 0.852 14.521 529 1HG GLU 67 1HG GLU 67 6.898 2.846 13.018 530 2HG GLU 67 2HG GLU 67 5.204 3.244 12.817 531 H GLU 68 H GLU 68 4.606 -1.441 12.551 532 HA GLU 68 HA GLU 68 5.958 -3.165 14.297 533 1HB GLU 68 1HB GLU 68 3.552 -3.518 12.469 534 2HB GLU 68 2HB GLU 68 4.136 -4.813 13.494 535 1HG GLU 68 1HG GLU 68 3.899 -2.294 14.990 536 2HG GLU 68 2HG GLU 68 2.377 -2.734 14.241 537 H SER 69 H SER 69 5.654 -2.927 10.727 538 HA SER 69 HA SER 69 6.706 -5.394 10.114 539 1HB SER 69 1HB SER 69 6.836 -4.604 7.907 540 2HB SER 69 2HB SER 69 5.608 -3.567 8.603 541 HG SER 69 HG SER 69 7.974 -2.854 7.476 542 H LYS 70 H LYS 70 8.326 -2.163 10.487 543 HA LYS 70 HA LYS 70 10.916 -3.235 10.045 544 1HB LYS 70 1HB LYS 70 11.583 -1.077 10.055 545 2HB LYS 70 2HB LYS 70 9.867 -0.763 9.889 546 1HG LYS 70 1HG LYS 70 9.980 -0.933 12.594 547 2HG LYS 70 2HG LYS 70 11.635 -0.443 12.300 548 1HD LYS 70 1HD LYS 70 10.682 1.453 10.831 549 2HD LYS 70 2HD LYS 70 9.102 1.033 11.462 550 1HE LYS 70 1HE LYS 70 11.462 1.670 13.284 551 2HE LYS 70 2HE LYS 70 10.373 2.909 12.699 552 1HZ LYS 70 1HZ LYS 70 9.503 0.523 14.177 553 2HZ LYS 70 2HZ LYS 70 9.733 1.994 14.850 554 3HZ LYS 70 3HZ LYS 70 8.563 1.782 13.732 555 H GLU 71 H GLU 71 8.695 -3.392 12.656 556 HA GLU 71 HA GLU 71 10.551 -3.265 14.757 557 1HB GLU 71 1HB GLU 71 7.975 -3.020 14.833 558 2HB GLU 71 2HB GLU 71 7.908 -4.771 14.800 559 1HG GLU 71 1HG GLU 71 7.942 -4.414 17.103 560 2HG GLU 71 2HG GLU 71 9.659 -4.588 16.799 561 H LYS 72 H LYS 72 9.130 -5.944 12.796 562 HA LYS 72 HA LYS 72 11.003 -7.770 14.123 563 1HB LYS 72 1HB LYS 72 9.386 -9.450 12.833 564 2HB LYS 72 2HB LYS 72 9.022 -8.832 14.432 565 1HG LYS 72 1HG LYS 72 7.398 -7.327 13.640 566 2HG LYS 72 2HG LYS 72 8.119 -7.217 12.047 567 1HD LYS 72 1HD LYS 72 6.897 -9.821 13.036 568 2HD LYS 72 2HD LYS 72 5.901 -8.577 12.308 569 1HE LYS 72 1HE LYS 72 7.443 -8.615 10.283 570 2HE LYS 72 2HE LYS 72 8.285 -9.973 11.003 571 1HZ LYS 72 1HZ LYS 72 6.550 -10.646 9.471 572 2HZ LYS 72 2HZ LYS 72 6.255 -11.211 10.975 573 3HZ LYS 72 3HZ LYS 72 5.410 -9.937 10.401 574 H PHE 73 H PHE 73 9.447 -7.427 10.853 575 HA PHE 73 HA PHE 73 12.140 -7.654 9.724 576 1HB PHE 73 1HB PHE 73 9.771 -9.431 9.553 577 2HB PHE 73 2HB PHE 73 10.256 -8.884 7.958 578 HD1 PHE 73 1HD PHE 73 12.143 -9.930 11.015 579 HD2 PHE 73 2HD PHE 73 11.474 -10.493 6.864 580 HE1 PHE 73 1HE PHE 73 13.944 -11.678 10.964 581 HE2 PHE 73 2HE PHE 73 13.275 -12.241 6.811 582 HZ PHE 73 HZ PHE 73 14.487 -12.813 8.861 583 H GLY 74 H GLY 74 8.811 -7.511 8.303 584 1HA GLY 74 1HA GLY 74 7.835 -6.005 6.951 585 2HA GLY 74 2HA GLY 74 8.802 -4.767 7.730 586 H LYS 75 H LYS 75 10.375 -7.537 6.152 587 HA LYS 75 HA LYS 75 10.979 -5.842 3.842 588 1HB LYS 75 1HB LYS 75 13.332 -6.482 3.955 589 2HB LYS 75 2HB LYS 75 12.846 -5.607 5.394 590 1HG LYS 75 1HG LYS 75 12.312 -8.239 6.121 591 2HG LYS 75 2HG LYS 75 13.731 -8.426 5.109 592 1HD LYS 75 1HD LYS 75 13.679 -6.279 7.252 593 2HD LYS 75 2HD LYS 75 14.023 -7.939 7.692 594 1HE LYS 75 1HE LYS 75 16.189 -7.456 7.159 595 2HE LYS 75 2HE LYS 75 15.677 -7.604 5.489 596 1HZ LYS 75 1HZ LYS 75 15.099 -5.055 6.615 597 2HZ LYS 75 2HZ LYS 75 16.697 -5.392 6.600 598 3HZ LYS 75 3HZ LYS 75 15.842 -5.426 5.209 599 HA PRO 76 HA PRO 76 9.578 -9.779 2.347 600 1HB PRO 76 1HB PRO 76 8.363 -8.832 0.090 601 2HB PRO 76 2HB PRO 76 7.531 -9.016 1.622 602 1HG PRO 76 1HG PRO 76 8.491 -6.543 0.318 603 2HG PRO 76 2HG PRO 76 7.309 -6.721 1.600 604 1HD PRO 76 1HD PRO 76 10.030 -5.856 1.882 605 2HD PRO 76 2HD PRO 76 8.884 -6.146 3.175 606 H ASN 77 H ASN 77 9.776 -10.913 0.109 607 HA ASN 77 HA ASN 77 12.399 -11.142 -0.394 608 1HB ASN 77 1HB ASN 77 10.309 -11.350 -2.611 609 2HB ASN 77 2HB ASN 77 11.775 -12.295 -2.444 610 1HD2 ASN 77 1HD2 ASN 77 8.589 -11.643 -1.115 611 2HD2 ASN 77 2HD2 ASN 77 8.362 -13.147 -0.285 612 H LYS 78 H LYS 78 13.905 -10.156 -1.882 613 HA LYS 78 HA LYS 78 13.065 -7.537 -2.829 614 1HB LYS 78 1HB LYS 78 15.665 -8.828 -2.117 615 2HB LYS 78 2HB LYS 78 15.688 -7.552 -3.318 616 1HG LYS 78 1HG LYS 78 13.986 -6.870 -1.007 617 2HG LYS 78 2HG LYS 78 15.638 -7.205 -0.531 618 1HD LYS 78 1HD LYS 78 14.951 -5.323 -2.830 619 2HD LYS 78 2HD LYS 78 15.105 -4.767 -1.176 620 1HE LYS 78 1HE LYS 78 17.437 -5.484 -1.067 621 2HE LYS 78 2HE LYS 78 17.311 -6.322 -2.601 622 1HZ LYS 78 1HZ LYS 78 18.323 -4.210 -2.916 623 2HZ LYS 78 2HZ LYS 78 16.854 -4.168 -3.630 624 3HZ LYS 78 3HZ LYS 78 17.088 -3.420 -2.196 625 H ARG 79 H ARG 79 11.792 -8.036 -4.652 626 HA ARG 79 HA ARG 79 13.149 -9.586 -6.687 627 1HB ARG 79 1HB ARG 79 10.248 -8.702 -6.332 628 2HB ARG 79 2HB ARG 79 10.817 -9.428 -7.822 629 1HG ARG 79 1HG ARG 79 11.400 -10.833 -5.206 630 2HG ARG 79 2HG ARG 79 9.784 -10.935 -5.875 631 1HD ARG 79 1HD ARG 79 10.584 -11.963 -7.917 632 2HD ARG 79 2HD ARG 79 12.252 -11.570 -7.549 633 HE ARG 79 HE ARG 79 11.436 -13.129 -5.387 634 1HH1 ARG 79 2HH2 ARG 79 11.514 -13.566 -8.877 635 2HH1 ARG 79 1HH2 ARG 79 11.715 -15.283 -8.786 636 1HH2 ARG 79 2HH1 ARG 79 11.702 -15.394 -5.265 637 2HH2 ARG 79 1HH1 ARG 79 11.823 -16.330 -6.718 638 H LYS 80 H LYS 80 12.111 -8.627 -9.051 639 HA LYS 80 HA LYS 80 13.545 -6.216 -9.390 640 1HB LYS 80 1HB LYS 80 12.609 -8.289 -11.012 641 2HB LYS 80 2HB LYS 80 11.704 -6.889 -11.550 642 1HG LYS 80 1HG LYS 80 13.674 -5.660 -12.093 643 2HG LYS 80 2HG LYS 80 14.698 -6.675 -11.094 644 1HD LYS 80 1HD LYS 80 15.212 -7.494 -13.225 645 2HD LYS 80 2HD LYS 80 13.954 -8.612 -12.738 646 1HE LYS 80 1HE LYS 80 12.268 -7.408 -14.022 647 2HE LYS 80 2HE LYS 80 13.360 -6.069 -14.316 648 1HZ LYS 80 1HZ LYS 80 14.803 -7.766 -15.449 649 2HZ LYS 80 2HZ LYS 80 13.524 -8.779 -15.408 650 3HZ LYS 80 3HZ LYS 80 13.419 -7.368 -16.220 651 H GLY 81 H GLY 81 10.043 -7.072 -9.200 652 1HA GLY 81 1HA GLY 81 9.152 -4.400 -9.665 653 2HA GLY 81 2HA GLY 81 8.207 -5.759 -9.089 654 H PHE 82 H PHE 82 10.699 -5.930 -6.998 655 HA PHE 82 HA PHE 82 9.234 -4.531 -4.965 656 1HB PHE 82 1HB PHE 82 10.309 -6.767 -4.618 657 2HB PHE 82 2HB PHE 82 11.864 -6.123 -5.100 658 HD1 PHE 82 1HD PHE 82 9.874 -6.972 -2.362 659 HD2 PHE 82 2HD PHE 82 12.680 -4.053 -3.634 660 HE1 PHE 82 1HE PHE 82 10.388 -6.422 0.033 661 HE2 PHE 82 2HE PHE 82 13.195 -3.504 -1.240 662 HZ PHE 82 HZ PHE 82 12.043 -4.694 0.565 663 H SER 83 H SER 83 12.444 -4.271 -6.608 664 HA SER 83 HA SER 83 13.303 -2.145 -5.006 665 1HB SER 83 1HB SER 83 14.965 -3.427 -6.157 666 2HB SER 83 2HB SER 83 14.165 -3.238 -7.705 667 HG SER 83 HG SER 83 16.157 -1.824 -7.054 668 H GLU 84 H GLU 84 12.061 -2.287 -8.429 669 HA GLU 84 HA GLU 84 11.970 0.506 -8.650 670 1HB GLU 84 1HB GLU 84 11.224 0.125 -10.825 671 2HB GLU 84 2HB GLU 84 12.030 -1.392 -10.484 672 1HG GLU 84 1HG GLU 84 9.825 -2.388 -9.794 673 2HG GLU 84 2HG GLU 84 9.032 -0.876 -10.190 674 H GLY 85 H GLY 85 9.887 -1.875 -7.181 675 1HA GLY 85 1HA GLY 85 7.426 -0.435 -7.440 676 2HA GLY 85 2HA GLY 85 7.764 -1.804 -6.399 677 H LEU 86 H LEU 86 9.643 -1.110 -4.628 678 HA LEU 86 HA LEU 86 8.332 0.586 -2.870 679 1HB LEU 86 1HB LEU 86 9.694 -0.859 -1.792 680 2HB LEU 86 2HB LEU 86 10.945 -0.793 -3.018 681 HG LEU 86 HG LEU 86 11.624 0.114 -0.801 682 1HD1 LEU 86 1HD1 LEU 86 11.774 2.457 -2.633 683 2HD1 LEU 86 2HD1 LEU 86 13.054 1.613 -1.729 684 3HD1 LEU 86 3HD1 LEU 86 12.409 0.903 -3.228 685 1HD2 LEU 86 1HD2 LEU 86 9.172 1.589 -1.078 686 2HD2 LEU 86 2HD2 LEU 86 10.260 1.454 0.323 687 3HD2 LEU 86 3HD2 LEU 86 10.537 2.717 -0.900 688 H TRP 87 H TRP 87 10.561 1.232 -5.524 689 HA TRP 87 HA TRP 87 11.105 3.913 -4.578 690 1HB TRP 87 1HB TRP 87 12.375 2.062 -6.295 691 2HB TRP 87 2HB TRP 87 11.908 3.424 -7.295 692 HD1 TRP 87 HD TRP 87 13.017 5.867 -6.600 693 HE1 TRP 87 1HE TRP 87 15.245 6.554 -5.364 694 HE3 TRP 87 3HE TRP 87 13.872 1.317 -4.499 695 HZ2 TRP 87 2HZ TRP 87 17.073 5.148 -3.683 696 HZ3 TRP 87 3HZ TRP 87 15.901 1.059 -3.074 697 HH2 TRP 87 HH TRP 87 17.474 2.882 -2.653 698 H GLU 88 H GLU 88 8.821 2.116 -6.551 699 HA GLU 88 HA GLU 88 8.062 4.262 -8.195 700 1HB GLU 88 1HB GLU 88 7.083 1.509 -7.594 701 2HB GLU 88 2HB GLU 88 5.866 2.620 -8.187 702 1HG GLU 88 1HG GLU 88 8.442 2.732 -9.673 703 2HG GLU 88 2HG GLU 88 7.615 1.192 -9.789 704 H ILE 89 H ILE 89 7.417 3.377 -4.876 705 HA ILE 89 HA ILE 89 5.086 5.143 -4.807 706 HB ILE 89 HB ILE 89 4.441 3.223 -3.779 707 1HG1 ILE 89 1HG1 ILE 89 4.549 5.333 -2.202 708 2HG1 ILE 89 2HG1 ILE 89 4.010 3.776 -1.606 709 1HG2 ILE 89 1HG2 ILE 89 6.253 1.798 -3.887 710 2HG2 ILE 89 2HG2 ILE 89 7.322 2.908 -3.000 711 3HG2 ILE 89 3HG2 ILE 89 6.057 2.008 -2.131 712 1HD1 ILE 89 1HD1 ILE 89 6.962 4.310 -1.486 713 2HD1 ILE 89 2HD1 ILE 89 5.923 5.210 -0.355 714 3HD1 ILE 89 3HD1 ILE 89 5.919 3.430 -0.342 715 H GLU 90 H GLU 90 8.342 4.574 -3.360 716 HA GLU 90 HA GLU 90 8.171 6.878 -1.749 717 1HB GLU 90 1HB GLU 90 10.259 4.849 -2.450 718 2HB GLU 90 2HB GLU 90 10.844 6.390 -1.859 719 1HG GLU 90 1HG GLU 90 8.654 4.850 -0.406 720 2HG GLU 90 2HG GLU 90 10.351 4.544 -0.098 721 H ASN 91 H ASN 91 9.192 6.172 -5.070 722 HA ASN 91 HA ASN 91 9.768 9.009 -5.349 723 1HB ASN 91 1HB ASN 91 11.263 6.834 -6.888 724 2HB ASN 91 2HB ASN 91 11.655 8.541 -6.817 725 1HD2 ASN 91 1HD2 ASN 91 11.010 5.849 -4.568 726 2HD2 ASN 91 2HD2 ASN 91 12.331 6.144 -3.488 727 H ASN 92 H ASN 92 7.346 8.738 -6.008 728 HA ASN 92 HA ASN 92 6.713 7.212 -8.250 729 1HB ASN 92 1HB ASN 92 4.653 8.789 -8.300 730 2HB ASN 92 2HB ASN 92 4.898 7.880 -6.823 731 1HD2 ASN 92 1HD2 ASN 92 4.092 9.169 -5.316 732 2HD2 ASN 92 2HD2 ASN 92 4.606 10.787 -4.967 733 HA PRO 93 HA PRO 93 8.019 9.981 -11.392 734 1HB PRO 93 1HB PRO 93 6.449 9.203 -13.490 735 2HB PRO 93 2HB PRO 93 7.897 8.342 -13.007 736 1HG PRO 93 1HG PRO 93 5.068 7.599 -12.577 737 2HG PRO 93 2HG PRO 93 6.496 6.586 -12.492 738 1HD PRO 93 1HD PRO 93 5.004 7.639 -10.279 739 2HD PRO 93 2HD PRO 93 6.495 6.723 -10.196 740 H THR 94 H THR 94 4.634 9.836 -10.652 741 HA THR 94 HA THR 94 4.531 12.716 -10.946 742 HB THR 94 HB THR 94 4.006 11.759 -13.238 743 HG1 THR 94 1HG THR 94 2.461 13.371 -13.279 744 1HG2 THR 94 1HG2 THR 94 2.239 10.292 -13.603 745 2HG2 THR 94 2HG2 THR 94 2.654 9.753 -11.958 746 3HG2 THR 94 3HG2 THR 94 1.319 10.904 -12.207 747 H VAL 95 H VAL 95 4.471 12.367 -8.588 748 HA VAL 95 HA VAL 95 2.650 10.907 -7.224 749 HB VAL 95 HB VAL 95 4.462 12.244 -6.264 750 1HG1 VAL 95 1HG1 VAL 95 2.789 14.722 -6.264 751 2HG1 VAL 95 2HG1 VAL 95 4.557 14.533 -6.222 752 3HG1 VAL 95 3HG1 VAL 95 3.674 14.310 -7.751 753 1HG2 VAL 95 1HG2 VAL 95 1.967 13.240 -4.918 754 2HG2 VAL 95 2HG2 VAL 95 2.273 11.491 -5.017 755 3HG2 VAL 95 3HG2 VAL 95 3.448 12.555 -4.209 756 H LYS 96 H LYS 96 0.523 10.640 -7.712 757 HA LYS 96 HA LYS 96 -0.968 12.850 -8.794 758 1HB LYS 96 1HB LYS 96 -2.797 11.175 -8.924 759 2HB LYS 96 2HB LYS 96 -1.333 10.682 -9.751 760 1HG LYS 96 1HG LYS 96 -0.968 8.919 -8.332 761 2HG LYS 96 2HG LYS 96 -1.391 9.849 -6.908 762 1HD LYS 96 1HD LYS 96 -3.269 8.544 -6.875 763 2HD LYS 96 2HD LYS 96 -3.859 9.647 -8.101 764 1HE LYS 96 1HE LYS 96 -2.950 8.140 -9.887 765 2HE LYS 96 2HE LYS 96 -2.368 7.036 -8.658 766 1HZ LYS 96 1HZ LYS 96 -4.362 6.147 -8.619 767 2HZ LYS 96 2HZ LYS 96 -5.034 7.553 -8.132 768 3HZ LYS 96 3HZ LYS 96 -4.921 7.209 -9.724 769 H ALA 97 H ALA 97 -0.509 11.168 -5.690 770 HA ALA 97 HA ALA 97 -2.044 13.288 -4.427 771 1HB ALA 97 1HB ALA 97 -3.525 11.846 -3.281 772 2HB ALA 97 2HB ALA 97 -3.534 11.236 -4.952 773 3HB ALA 97 3HB ALA 97 -2.585 10.396 -3.704 774 H SER 98 H SER 98 -1.464 13.574 -2.172 775 HA SER 98 HA SER 98 -0.235 13.330 -0.364 776 1HB SER 98 1HB SER 98 -0.015 10.772 -1.316 777 2HB SER 98 2HB SER 98 1.662 11.272 -1.409 778 HG SER 98 HG SER 98 1.624 10.645 0.664 779 H GLY 99 H GLY 99 2.366 13.423 0.202 780 1HA GLY 99 1HA GLY 99 4.301 14.083 -1.571 781 2HA GLY 99 2HA GLY 99 3.363 15.561 -1.457 782 H TYR 100 H TYR 100 6.167 14.836 -0.500 783 HA TYR 100 HA TYR 100 6.539 14.413 2.093 784 1HB TYR 100 1HB TYR 100 8.566 15.209 1.286 785 2HB TYR 100 2HB TYR 100 7.739 15.884 -0.103 786 HD1 TYR 100 1HD TYR 100 8.036 16.734 3.551 787 HD2 TYR 100 2HD TYR 100 8.192 18.117 -0.495 788 HE1 TYR 100 1HE TYR 100 8.571 19.083 4.366 789 HE2 TYR 100 2HE TYR 100 8.728 20.460 0.334 790 HH TYR 100 HH TYR 100 8.464 21.785 2.269 Start of MODEL 15 1 H MET 1 H MET 1 7.627 17.556 20.533 2 HA MET 1 HA MET 1 6.190 18.123 22.546 3 1HB MET 1 1HB MET 1 3.824 18.603 21.906 4 2HB MET 1 2HB MET 1 4.887 19.846 21.275 5 1HG MET 1 1HG MET 1 4.334 17.460 19.513 6 2HG MET 1 2HG MET 1 3.043 18.627 19.726 7 1HE MET 1 1HE MET 1 3.768 20.551 16.758 8 2HE MET 1 2HE MET 1 3.844 18.778 16.646 9 3HE MET 1 3HE MET 1 2.693 19.550 17.764 10 H SER 2 H SER 2 4.691 16.408 23.294 11 HA SER 2 HA SER 2 4.925 14.084 21.555 12 1HB SER 2 1HB SER 2 4.696 12.748 23.667 13 2HB SER 2 2HB SER 2 6.115 13.777 23.651 14 HG SER 2 HG SER 2 3.770 13.945 25.237 15 H ARG 3 H ARG 3 2.965 14.607 20.355 16 HA ARG 3 HA ARG 3 0.562 14.872 21.881 17 1HB ARG 3 1HB ARG 3 -0.522 15.234 19.700 18 2HB ARG 3 2HB ARG 3 0.946 16.186 19.776 19 1HG ARG 3 1HG ARG 3 2.070 14.053 18.663 20 2HG ARG 3 2HG ARG 3 0.426 13.637 18.221 21 1HD ARG 3 1HD ARG 3 0.161 15.563 16.853 22 2HD ARG 3 2HD ARG 3 1.455 16.433 17.652 23 HE ARG 3 HE ARG 3 2.459 14.024 16.387 24 1HH1 ARG 3 2HH2 ARG 3 1.435 17.322 15.711 25 2HH1 ARG 3 1HH2 ARG 3 2.400 17.464 14.280 26 1HH2 ARG 3 2HH1 ARG 3 3.734 14.212 14.500 27 2HH2 ARG 3 1HH1 ARG 3 3.717 15.683 13.587 28 H SER 4 H SER 4 -1.424 13.474 21.057 29 HA SER 4 HA SER 4 -0.734 10.799 21.537 30 1HB SER 4 1HB SER 4 -3.207 12.385 21.103 31 2HB SER 4 2HB SER 4 -3.332 10.716 20.586 32 HG SER 4 HG SER 4 -2.670 11.716 23.212 33 H ASN 5 H ASN 5 -0.714 8.990 20.111 34 HA ASN 5 HA ASN 5 -0.697 9.764 17.300 35 1HB ASN 5 1HB ASN 5 0.915 7.961 16.925 36 2HB ASN 5 2HB ASN 5 1.492 8.914 18.278 37 1HD2 ASN 5 1HD2 ASN 5 0.304 5.882 17.187 38 2HD2 ASN 5 2HD2 ASN 5 0.447 4.984 18.661 39 H ARG 6 H ARG 6 -1.483 7.981 15.776 40 HA ARG 6 HA ARG 6 -3.704 6.637 17.028 41 1HB ARG 6 1HB ARG 6 -4.669 6.509 14.844 42 2HB ARG 6 2HB ARG 6 -3.863 8.064 14.862 43 1HG ARG 6 1HG ARG 6 -1.814 6.436 13.984 44 2HG ARG 6 2HG ARG 6 -3.202 5.603 13.311 45 1HD ARG 6 1HD ARG 6 -2.813 7.130 11.597 46 2HD ARG 6 2HD ARG 6 -3.922 8.078 12.568 47 HE ARG 6 HE ARG 6 -1.242 8.516 13.507 48 1HH1 ARG 6 2HH2 ARG 6 -3.331 9.275 10.780 49 2HH1 ARG 6 1HH2 ARG 6 -2.500 10.743 10.387 50 1HH2 ARG 6 2HH1 ARG 6 -0.145 10.453 12.991 51 2HH2 ARG 6 1HH1 ARG 6 -0.676 11.417 11.652 52 H GLN 7 H GLN 7 -4.196 4.399 15.587 53 HA GLN 7 HA GLN 7 -1.753 2.865 15.971 54 1HB GLN 7 1HB GLN 7 -3.441 0.894 16.022 55 2HB GLN 7 2HB GLN 7 -3.400 1.970 17.405 56 1HG GLN 7 1HG GLN 7 -5.309 2.484 15.096 57 2HG GLN 7 2HG GLN 7 -5.727 1.353 16.367 58 1HE2 GLN 7 1HE2 GLN 7 -6.054 4.433 15.364 59 2HE2 GLN 7 2HE2 GLN 7 -6.332 5.263 16.858 60 H LYS 8 H LYS 8 -4.256 1.167 14.328 61 HA LYS 8 HA LYS 8 -2.676 1.175 11.916 62 1HB LYS 8 1HB LYS 8 -4.512 -0.517 11.243 63 2HB LYS 8 2HB LYS 8 -3.355 -0.968 12.478 64 1HG LYS 8 1HG LYS 8 -5.808 -1.477 13.018 65 2HG LYS 8 2HG LYS 8 -4.927 -0.601 14.254 66 1HD LYS 8 1HD LYS 8 -7.094 0.475 13.958 67 2HD LYS 8 2HD LYS 8 -5.858 1.559 13.352 68 1HE LYS 8 1HE LYS 8 -7.363 1.649 11.576 69 2HE LYS 8 2HE LYS 8 -6.340 0.334 11.030 70 1HZ LYS 8 1HZ LYS 8 -8.522 -0.425 12.739 71 2HZ LYS 8 2HZ LYS 8 -8.951 0.138 11.267 72 3HZ LYS 8 3HZ LYS 8 -7.955 -1.149 11.391 73 H GLU 9 H GLU 9 -4.533 3.488 13.080 74 HA GLU 9 HA GLU 9 -6.629 3.834 11.366 75 1HB GLU 9 1HB GLU 9 -5.096 5.448 13.250 76 2HB GLU 9 2HB GLU 9 -5.556 6.418 11.865 77 1HG GLU 9 1HG GLU 9 -7.913 5.881 12.162 78 2HG GLU 9 2HG GLU 9 -7.545 4.650 13.354 79 H TYR 10 H TYR 10 -6.902 4.635 9.273 80 HA TYR 10 HA TYR 10 -4.589 5.765 7.925 81 1HB TYR 10 1HB TYR 10 -5.303 4.026 6.018 82 2HB TYR 10 2HB TYR 10 -4.264 3.469 7.314 83 HD1 TYR 10 1HD TYR 10 -7.958 3.881 6.733 84 HD2 TYR 10 2HD TYR 10 -4.798 1.405 8.209 85 HE1 TYR 10 1HE TYR 10 -9.641 2.067 7.311 86 HE2 TYR 10 2HE TYR 10 -6.491 -0.402 8.782 87 HH TYR 10 HH TYR 10 -9.311 -0.116 9.331 88 H LYS 11 H LYS 11 -5.195 6.660 5.746 89 HA LYS 11 HA LYS 11 -8.034 6.970 5.305 90 1HB LYS 11 1HB LYS 11 -6.360 9.077 6.523 91 2HB LYS 11 2HB LYS 11 -7.289 9.600 5.133 92 1HG LYS 11 1HG LYS 11 -8.902 7.891 6.892 93 2HG LYS 11 2HG LYS 11 -8.239 9.250 7.776 94 1HD LYS 11 1HD LYS 11 -10.110 10.311 6.943 95 2HD LYS 11 2HD LYS 11 -9.055 10.593 5.573 96 1HE LYS 11 1HE LYS 11 -10.960 9.691 4.529 97 2HE LYS 11 2HE LYS 11 -9.946 8.272 4.697 98 1HZ LYS 11 1HZ LYS 11 -12.026 9.057 6.619 99 2HZ LYS 11 2HZ LYS 11 -12.208 7.917 5.464 100 3HZ LYS 11 3HZ LYS 11 -11.134 7.690 6.672 101 H CYS 12 H CYS 12 -8.456 8.051 3.176 102 HA CYS 12 HA CYS 12 -7.125 6.900 1.158 103 1HB CYS 12 1HB CYS 12 -8.104 8.553 -0.332 104 2HB CYS 12 2HB CYS 12 -9.257 8.106 0.910 105 HG CYS 12 HG CYS 12 -8.587 10.125 2.546 106 H GLY 13 H GLY 13 -5.145 7.167 0.128 107 1HA GLY 13 1HA GLY 13 -3.345 8.399 -0.667 108 2HA GLY 13 2HA GLY 13 -3.706 9.692 0.461 109 H ASP 14 H ASP 14 -3.997 6.678 2.053 110 HA ASP 14 HA ASP 14 -1.557 7.209 3.446 111 1HB ASP 14 1HB ASP 14 -3.442 6.595 4.809 112 2HB ASP 14 2HB ASP 14 -3.843 5.234 3.782 113 H LEU 15 H LEU 15 0.169 5.559 3.688 114 HA LEU 15 HA LEU 15 0.107 3.539 1.553 115 1HB LEU 15 1HB LEU 15 1.787 5.723 1.735 116 2HB LEU 15 2HB LEU 15 2.749 4.433 2.426 117 HG LEU 15 HG LEU 15 3.361 4.285 0.227 118 1HD1 LEU 15 1HD1 LEU 15 0.899 2.542 0.054 119 2HD1 LEU 15 2HD1 LEU 15 2.491 2.299 -0.702 120 3HD1 LEU 15 3HD1 LEU 15 2.308 2.130 1.060 121 1HD2 LEU 15 1HD2 LEU 15 0.707 4.515 -1.070 122 2HD2 LEU 15 2HD2 LEU 15 1.329 5.986 -0.284 123 3HD2 LEU 15 3HD2 LEU 15 2.289 5.177 -1.547 124 H VAL 16 H VAL 16 0.792 1.451 2.074 125 HA VAL 16 HA VAL 16 2.049 0.914 4.570 126 HB VAL 16 HB VAL 16 -0.037 -0.648 5.118 127 1HG1 VAL 16 1HG1 VAL 16 -0.364 2.189 6.007 128 2HG1 VAL 16 2HG1 VAL 16 -0.360 0.681 6.954 129 3HG1 VAL 16 3HG1 VAL 16 1.174 1.371 6.371 130 1HG2 VAL 16 1HG2 VAL 16 -1.321 1.804 3.867 131 2HG2 VAL 16 2HG2 VAL 16 -1.368 0.156 3.197 132 3HG2 VAL 16 3HG2 VAL 16 -2.156 0.506 4.754 133 H PHE 17 H PHE 17 1.912 -1.685 4.876 134 HA PHE 17 HA PHE 17 2.713 -2.693 2.273 135 1HB PHE 17 1HB PHE 17 3.289 -3.094 5.149 136 2HB PHE 17 2HB PHE 17 2.984 -4.633 4.368 137 HD1 PHE 17 1HD PHE 17 4.209 -4.659 1.876 138 HD2 PHE 17 2HD PHE 17 5.517 -2.581 5.337 139 HE1 PHE 17 1HE PHE 17 6.561 -4.681 0.999 140 HE2 PHE 17 2HE PHE 17 7.869 -2.603 4.461 141 HZ PHE 17 HZ PHE 17 8.363 -3.651 2.303 142 H ALA 18 H ALA 18 1.188 -3.669 1.030 143 HA ALA 18 HA ALA 18 -0.966 -5.088 2.428 144 1HB ALA 18 1HB ALA 18 -2.360 -4.455 0.717 145 2HB ALA 18 2HB ALA 18 -1.179 -3.131 0.586 146 3HB ALA 18 3HB ALA 18 -1.071 -4.530 -0.507 147 H LYS 19 H LYS 19 -1.189 -7.287 2.215 148 HA LYS 19 HA LYS 19 0.729 -8.574 0.399 149 1HB LYS 19 1HB LYS 19 0.877 -8.773 3.038 150 2HB LYS 19 2HB LYS 19 -0.378 -9.972 2.806 151 1HG LYS 19 1HG LYS 19 1.011 -11.409 1.583 152 2HG LYS 19 2HG LYS 19 2.022 -10.105 0.989 153 1HD LYS 19 1HD LYS 19 3.258 -9.959 3.004 154 2HD LYS 19 2HD LYS 19 1.994 -10.713 3.956 155 1HE LYS 19 1HE LYS 19 2.507 -12.899 3.147 156 2HE LYS 19 2HE LYS 19 3.374 -12.283 1.753 157 1HZ LYS 19 1HZ LYS 19 4.461 -12.993 4.130 158 2HZ LYS 19 2HZ LYS 19 5.216 -12.172 2.937 159 3HZ LYS 19 3HZ LYS 19 4.512 -11.361 4.167 160 H MET 20 H MET 20 -0.007 -10.231 -0.955 161 HA MET 20 HA MET 20 -2.888 -10.672 -0.835 162 1HB MET 20 1HB MET 20 -1.844 -9.113 -2.740 163 2HB MET 20 2HB MET 20 -1.330 -10.630 -3.452 164 1HG MET 20 1HG MET 20 -3.440 -11.128 -4.167 165 2HG MET 20 2HG MET 20 -4.143 -10.756 -2.605 166 1HE MET 20 1HE MET 20 -2.729 -7.364 -5.307 167 2HE MET 20 2HE MET 20 -1.846 -8.830 -4.818 168 3HE MET 20 3HE MET 20 -3.024 -8.903 -6.149 169 H LYS 21 H LYS 21 -3.607 -12.748 -1.847 170 HA LYS 21 HA LYS 21 -2.081 -14.884 -0.962 171 1HB LYS 21 1HB LYS 21 -4.518 -14.929 -1.276 172 2HB LYS 21 2HB LYS 21 -4.315 -14.829 -3.013 173 1HG LYS 21 1HG LYS 21 -4.131 -17.086 -3.091 174 2HG LYS 21 2HG LYS 21 -2.636 -16.973 -2.183 175 1HD LYS 21 1HD LYS 21 -3.674 -18.080 -0.495 176 2HD LYS 21 2HD LYS 21 -4.630 -16.637 -0.221 177 1HE LYS 21 1HE LYS 21 -5.860 -17.905 -2.442 178 2HE LYS 21 2HE LYS 21 -5.455 -19.215 -1.351 179 1HZ LYS 21 1HZ LYS 21 -7.592 -18.263 -0.847 180 2HZ LYS 21 2HZ LYS 21 -6.572 -18.028 0.407 181 3HZ LYS 21 3HZ LYS 21 -6.934 -16.790 -0.596 182 H GLY 22 H GLY 22 -0.243 -15.778 -1.717 183 1HA GLY 22 1HA GLY 22 1.147 -16.700 -3.283 184 2HA GLY 22 2HA GLY 22 0.164 -16.041 -4.575 185 H TYR 23 H TYR 23 0.284 -13.329 -2.930 186 HA TYR 23 HA TYR 23 2.857 -12.525 -4.094 187 1HB TYR 23 1HB TYR 23 0.317 -11.624 -4.566 188 2HB TYR 23 2HB TYR 23 0.634 -10.682 -3.122 189 HD1 TYR 23 1HD TYR 23 1.843 -8.663 -3.244 190 HD2 TYR 23 2HD TYR 23 1.978 -11.398 -6.531 191 HE1 TYR 23 1HE TYR 23 3.055 -6.926 -4.650 192 HE2 TYR 23 2HE TYR 23 3.190 -9.651 -7.926 193 HH TYR 23 HH TYR 23 4.680 -7.049 -6.653 194 HA PRO 24 HA PRO 24 4.169 -11.822 -0.001 195 1HB PRO 24 1HB PRO 24 6.650 -10.821 -0.565 196 2HB PRO 24 2HB PRO 24 6.304 -12.538 -0.483 197 1HG PRO 24 1HG PRO 24 6.738 -10.846 -2.867 198 2HG PRO 24 2HG PRO 24 6.817 -12.590 -2.731 199 1HD PRO 24 1HD PRO 24 4.679 -11.053 -3.868 200 2HD PRO 24 2HD PRO 24 4.709 -12.788 -3.626 201 H HIS 25 H HIS 25 4.674 -10.149 1.550 202 HA HIS 25 HA HIS 25 3.119 -8.000 1.340 203 1HB HIS 25 1HB HIS 25 5.307 -8.832 2.983 204 2HB HIS 25 2HB HIS 25 5.508 -7.124 2.646 205 HD1 HIS 25 1HD HIS 25 2.215 -6.750 2.508 206 HD2 HIS 25 2HD HIS 25 4.556 -8.230 5.658 207 HE1 HIS 25 1HE HIS 25 0.846 -6.416 4.635 208 H TRP 26 H TRP 26 2.907 -6.354 -0.083 209 HA TRP 26 HA TRP 26 5.372 -5.334 -1.311 210 1HB TRP 26 1HB TRP 26 3.375 -6.778 -2.637 211 2HB TRP 26 2HB TRP 26 3.058 -5.101 -3.038 212 HD1 TRP 26 HD TRP 26 4.443 -4.229 -5.077 213 HE1 TRP 26 1HE TRP 26 6.627 -4.879 -6.408 214 HE3 TRP 26 3HE TRP 26 5.816 -8.035 -1.998 215 HZ2 TRP 26 2HZ TRP 26 8.638 -6.868 -6.032 216 HZ3 TRP 26 3HZ TRP 26 7.904 -9.282 -2.552 217 HH2 TRP 26 HH TRP 26 9.297 -8.751 -4.490 218 HA PRO 27 HA PRO 27 3.727 -1.516 -0.063 219 1HB PRO 27 1HB PRO 27 4.881 0.221 -1.830 220 2HB PRO 27 2HB PRO 27 5.724 -0.433 -0.439 221 1HG PRO 27 1HG PRO 27 6.015 -1.157 -3.290 222 2HG PRO 27 2HG PRO 27 7.112 -1.472 -1.959 223 1HD PRO 27 1HD PRO 27 5.337 -3.352 -3.202 224 2HD PRO 27 2HD PRO 27 6.348 -3.634 -1.798 225 H ALA 28 H ALA 28 1.547 -1.430 -0.156 226 HA ALA 28 HA ALA 28 0.546 -0.583 -2.789 227 1HB ALA 28 1HB ALA 28 -1.432 -1.843 -1.051 228 2HB ALA 28 2HB ALA 28 -0.972 -2.244 -2.723 229 3HB ALA 28 3HB ALA 28 -0.050 -2.923 -1.359 230 H ARG 29 H ARG 29 -1.162 1.002 -2.776 231 HA ARG 29 HA ARG 29 -1.032 2.604 -0.376 232 1HB ARG 29 1HB ARG 29 -0.538 3.656 -2.610 233 2HB ARG 29 2HB ARG 29 -2.161 3.265 -3.146 234 1HG ARG 29 1HG ARG 29 -3.137 4.701 -1.395 235 2HG ARG 29 2HG ARG 29 -1.553 5.003 -0.709 236 1HD ARG 29 1HD ARG 29 -1.769 5.630 -3.615 237 2HD ARG 29 2HD ARG 29 -2.787 6.620 -2.588 238 HE ARG 29 HE ARG 29 -0.201 6.487 -1.387 239 1HH1 ARG 29 2HH2 ARG 29 -1.755 7.829 -4.244 240 2HH1 ARG 29 1HH2 ARG 29 -0.631 9.139 -4.396 241 1HH2 ARG 29 2HH1 ARG 29 1.282 8.213 -1.587 242 2HH2 ARG 29 1HH1 ARG 29 1.108 9.358 -2.876 243 H ILE 30 H ILE 30 -3.138 3.724 0.331 244 HA ILE 30 HA ILE 30 -5.200 1.724 0.476 245 HB ILE 30 HB ILE 30 -4.216 3.574 2.206 246 1HG1 ILE 30 1HG1 ILE 30 -5.629 1.453 2.534 247 2HG1 ILE 30 2HG1 ILE 30 -5.768 2.733 3.723 248 1HG2 ILE 30 1HG2 ILE 30 -6.070 5.176 2.647 249 2HG2 ILE 30 2HG2 ILE 30 -5.203 5.476 1.121 250 3HG2 ILE 30 3HG2 ILE 30 -6.801 4.695 1.097 251 1HD1 ILE 30 1HD1 ILE 30 -7.647 2.715 1.353 252 2HD1 ILE 30 2HD1 ILE 30 -7.953 1.633 2.731 253 3HD1 ILE 30 3HD1 ILE 30 -7.898 3.394 2.978 254 H ASP 31 H ASP 31 -7.305 1.867 -0.362 255 HA ASP 31 HA ASP 31 -7.942 4.201 -1.905 256 1HB ASP 31 1HB ASP 31 -7.442 1.456 -3.081 257 2HB ASP 31 2HB ASP 31 -8.672 2.472 -3.804 258 H GLU 32 H GLU 32 -10.295 4.291 -2.336 259 HA GLU 32 HA GLU 32 -11.738 2.392 -0.673 260 1HB GLU 32 1HB GLU 32 -11.775 5.073 -0.471 261 2HB GLU 32 2HB GLU 32 -13.011 4.917 -1.704 262 1HG GLU 32 1HG GLU 32 -14.039 3.078 -0.120 263 2HG GLU 32 2HG GLU 32 -13.013 3.783 1.115 264 H MET 33 H MET 33 -13.714 1.407 -1.459 265 HA MET 33 HA MET 33 -13.556 0.803 -4.211 266 1HB MET 33 1HB MET 33 -15.554 -0.626 -3.685 267 2HB MET 33 2HB MET 33 -14.287 -0.850 -2.497 268 1HG MET 33 1HG MET 33 -15.434 0.752 -0.958 269 2HG MET 33 2HG MET 33 -16.692 1.008 -2.151 270 1HE MET 33 1HE MET 33 -16.216 -1.707 1.065 271 2HE MET 33 2HE MET 33 -16.178 0.048 0.774 272 3HE MET 33 3HE MET 33 -17.736 -0.782 1.011 273 HA PRO 34 HA PRO 34 -16.257 3.938 -5.588 274 1HB PRO 34 1HB PRO 34 -16.463 3.180 -8.205 275 2HB PRO 34 2HB PRO 34 -15.130 4.131 -7.586 276 1HG PRO 34 1HG PRO 34 -15.177 1.269 -8.324 277 2HG PRO 34 2HG PRO 34 -13.796 2.327 -8.117 278 1HD PRO 34 1HD PRO 34 -14.724 0.334 -6.275 279 2HD PRO 34 2HD PRO 34 -13.414 1.469 -6.017 280 H GLU 35 H GLU 35 -18.389 4.278 -6.783 281 HA GLU 35 HA GLU 35 -19.998 1.913 -6.213 282 1HB GLU 35 1HB GLU 35 -21.825 3.420 -5.468 283 2HB GLU 35 2HB GLU 35 -20.395 3.594 -4.470 284 1HG GLU 35 1HG GLU 35 -19.723 5.568 -5.987 285 2HG GLU 35 2HG GLU 35 -21.323 5.461 -6.696 286 H ALA 36 H ALA 36 -18.701 2.794 -8.737 287 HA ALA 36 HA ALA 36 -21.101 3.484 -10.288 288 1HB ALA 36 1HB ALA 36 -18.593 3.715 -11.733 289 2HB ALA 36 2HB ALA 36 -19.818 4.961 -11.395 290 3HB ALA 36 3HB ALA 36 -18.524 4.642 -10.215 291 H ALA 37 H ALA 37 -17.967 1.654 -10.578 292 HA ALA 37 HA ALA 37 -18.909 -0.007 -12.628 293 1HB ALA 37 1HB ALA 37 -16.513 0.485 -12.018 294 2HB ALA 37 2HB ALA 37 -16.713 -0.567 -10.596 295 3HB ALA 37 3HB ALA 37 -16.867 -1.246 -12.235 296 H VAL 38 H VAL 38 -18.765 -0.372 -9.034 297 HA VAL 38 HA VAL 38 -20.781 -2.469 -9.306 298 HB VAL 38 HB VAL 38 -19.610 -3.769 -7.555 299 1HG1 VAL 38 1HG1 VAL 38 -17.472 -3.916 -9.443 300 2HG1 VAL 38 2HG1 VAL 38 -18.889 -4.980 -9.281 301 3HG1 VAL 38 3HG1 VAL 38 -18.970 -3.546 -10.332 302 1HG2 VAL 38 1HG2 VAL 38 -18.260 -1.954 -6.590 303 2HG2 VAL 38 2HG2 VAL 38 -17.246 -3.333 -7.075 304 3HG2 VAL 38 3HG2 VAL 38 -17.300 -1.869 -8.088 305 H LYS 39 H LYS 39 -21.535 -2.999 -6.850 306 HA LYS 39 HA LYS 39 -22.107 -0.356 -5.726 307 1HB LYS 39 1HB LYS 39 -23.597 -2.985 -5.482 308 2HB LYS 39 2HB LYS 39 -24.049 -1.500 -4.672 309 1HG LYS 39 1HG LYS 39 -24.985 -0.629 -6.560 310 2HG LYS 39 2HG LYS 39 -23.595 -1.050 -7.541 311 1HD LYS 39 1HD LYS 39 -25.052 -3.466 -6.774 312 2HD LYS 39 2HD LYS 39 -26.141 -2.320 -7.527 313 1HE LYS 39 1HE LYS 39 -24.768 -2.183 -9.527 314 2HE LYS 39 2HE LYS 39 -23.446 -3.039 -8.759 315 1HZ LYS 39 1HZ LYS 39 -25.164 -4.254 -10.267 316 2HZ LYS 39 2HZ LYS 39 -24.503 -5.006 -8.977 317 3HZ LYS 39 3HZ LYS 39 -26.009 -4.381 -8.874 318 H SER 40 H SER 40 -20.981 0.237 -3.960 319 HA SER 40 HA SER 40 -19.097 -1.170 -2.743 320 1HB SER 40 1HB SER 40 -19.611 1.230 -2.320 321 2HB SER 40 2HB SER 40 -21.011 0.770 -1.371 322 HG SER 40 HG SER 40 -19.605 -0.279 0.153 323 H THR 41 H THR 41 -18.887 -2.662 -1.006 324 HA THR 41 HA THR 41 -21.437 -3.764 -0.022 325 HB THR 41 HB THR 41 -20.338 -5.982 -0.133 326 HG1 THR 41 1HG THR 41 -18.168 -4.438 -1.356 327 1HG2 THR 41 1HG2 THR 41 -19.823 -6.133 -2.596 328 2HG2 THR 41 2HG2 THR 41 -21.354 -5.280 -2.288 329 3HG2 THR 41 3HG2 THR 41 -19.886 -4.359 -2.694 330 H ALA 42 H ALA 42 -20.526 -5.463 1.921 331 HA ALA 42 HA ALA 42 -19.609 -3.521 3.874 332 1HB ALA 42 1HB ALA 42 -20.778 -4.775 5.374 333 2HB ALA 42 2HB ALA 42 -21.565 -5.429 3.917 334 3HB ALA 42 3HB ALA 42 -20.222 -6.315 4.678 335 H ASN 43 H ASN 43 -17.770 -3.876 5.246 336 HA ASN 43 HA ASN 43 -15.627 -4.255 5.447 337 1HB ASN 43 1HB ASN 43 -15.061 -6.824 5.481 338 2HB ASN 43 2HB ASN 43 -16.224 -6.220 6.643 339 1HD2 ASN 43 1HD2 ASN 43 -15.702 -8.072 3.760 340 2HD2 ASN 43 2HD2 ASN 43 -17.270 -8.799 3.630 341 H LYS 44 H LYS 44 -14.981 -3.207 3.382 342 HA LYS 44 HA LYS 44 -13.592 -5.015 1.660 343 1HB LYS 44 1HB LYS 44 -16.248 -4.111 0.908 344 2HB LYS 44 2HB LYS 44 -15.050 -3.528 -0.229 345 1HG LYS 44 1HG LYS 44 -14.619 -6.349 0.582 346 2HG LYS 44 2HG LYS 44 -16.156 -6.086 -0.218 347 1HD LYS 44 1HD LYS 44 -13.585 -4.959 -1.385 348 2HD LYS 44 2HD LYS 44 -14.053 -6.619 -1.691 349 1HE LYS 44 1HE LYS 44 -16.092 -4.432 -2.144 350 2HE LYS 44 2HE LYS 44 -14.825 -4.659 -3.334 351 1HZ LYS 44 1HZ LYS 44 -17.003 -6.412 -2.641 352 2HZ LYS 44 2HZ LYS 44 -16.299 -6.147 -4.091 353 3HZ LYS 44 3HZ LYS 44 -15.589 -7.142 -3.007 354 H TYR 45 H TYR 45 -11.652 -4.054 1.430 355 HA TYR 45 HA TYR 45 -11.643 -1.113 1.284 356 1HB TYR 45 1HB TYR 45 -10.507 -1.531 3.311 357 2HB TYR 45 2HB TYR 45 -10.190 -3.202 2.885 358 HD1 TYR 45 1HD TYR 45 -7.948 -3.750 2.779 359 HD2 TYR 45 2HD TYR 45 -9.161 0.167 1.563 360 HE1 TYR 45 1HE TYR 45 -5.531 -3.155 2.261 361 HE2 TYR 45 2HE TYR 45 -6.740 0.750 1.049 362 HH TYR 45 HH TYR 45 -4.604 0.113 1.497 363 H GLN 46 H GLN 46 -10.733 -0.255 -0.523 364 HA GLN 46 HA GLN 46 -9.671 -2.080 -2.434 365 1HB GLN 46 1HB GLN 46 -11.073 0.283 -2.605 366 2HB GLN 46 2HB GLN 46 -9.448 0.845 -2.947 367 1HG GLN 46 1HG GLN 46 -9.232 -0.511 -4.874 368 2HG GLN 46 2HG GLN 46 -10.459 -1.645 -4.343 369 1HE2 GLN 46 1HE2 GLN 46 -10.075 1.822 -5.072 370 2HE2 GLN 46 2HE2 GLN 46 -11.564 2.033 -5.932 371 H VAL 47 H VAL 47 -7.524 -2.391 -3.012 372 HA VAL 47 HA VAL 47 -5.576 -0.694 -1.609 373 HB VAL 47 HB VAL 47 -6.027 -3.217 -0.922 374 1HG1 VAL 47 1HG1 VAL 47 -4.356 -4.708 -2.023 375 2HG1 VAL 47 2HG1 VAL 47 -5.682 -4.210 -3.100 376 3HG1 VAL 47 3HG1 VAL 47 -4.081 -3.442 -3.241 377 1HG2 VAL 47 1HG2 VAL 47 -3.926 -1.354 -0.609 378 2HG2 VAL 47 2HG2 VAL 47 -4.290 -2.770 0.405 379 3HG2 VAL 47 3HG2 VAL 47 -3.156 -2.919 -0.958 380 H PHE 48 H PHE 48 -3.899 0.124 -2.840 381 HA PHE 48 HA PHE 48 -4.025 -0.582 -5.685 382 1HB PHE 48 1HB PHE 48 -4.134 1.873 -4.203 383 2HB PHE 48 2HB PHE 48 -2.524 1.843 -4.895 384 HD1 PHE 48 1HD PHE 48 -4.820 3.772 -5.526 385 HD2 PHE 48 2HD PHE 48 -3.478 0.213 -7.406 386 HE1 PHE 48 1HE PHE 48 -5.744 4.581 -7.714 387 HE2 PHE 48 2HE PHE 48 -4.403 1.022 -9.596 388 HZ PHE 48 HZ PHE 48 -5.525 3.197 -9.723 389 H PHE 49 H PHE 49 -2.509 -2.220 -5.917 390 HA PHE 49 HA PHE 49 -0.060 -2.173 -4.481 391 1HB PHE 49 1HB PHE 49 -1.523 -3.774 -6.567 392 2HB PHE 49 2HB PHE 49 0.222 -3.908 -6.656 393 HD1 PHE 49 1HD PHE 49 1.476 -5.025 -4.912 394 HD2 PHE 49 2HD PHE 49 -2.738 -4.617 -4.619 395 HE1 PHE 49 1HE PHE 49 1.438 -6.736 -3.076 396 HE2 PHE 49 2HE PHE 49 -2.776 -6.327 -2.783 397 HZ PHE 49 HZ PHE 49 -0.688 -7.366 -2.033 398 H PHE 50 H PHE 50 1.814 -1.134 -4.976 399 HA PHE 50 HA PHE 50 1.914 0.404 -7.389 400 1HB PHE 50 1HB PHE 50 3.580 -0.099 -4.889 401 2HB PHE 50 2HB PHE 50 4.352 0.705 -6.239 402 HD1 PHE 50 1HD PHE 50 2.726 1.274 -3.257 403 HD2 PHE 50 2HD PHE 50 2.780 2.682 -7.261 404 HE1 PHE 50 1HE PHE 50 1.766 3.466 -2.500 405 HE2 PHE 50 2HE PHE 50 1.819 4.873 -6.503 406 HZ PHE 50 HZ PHE 50 1.325 5.240 -4.132 407 H GLY 51 H GLY 51 3.923 -2.246 -5.913 408 1HA GLY 51 1HA GLY 51 5.835 -2.643 -7.740 409 2HA GLY 51 2HA GLY 51 4.993 -3.959 -6.948 410 H THR 52 H THR 52 2.512 -4.115 -8.002 411 HA THR 52 HA THR 52 3.068 -4.876 -10.737 412 HB THR 52 HB THR 52 0.756 -5.879 -10.501 413 HG1 THR 52 1HG THR 52 -0.276 -5.460 -8.456 414 1HG2 THR 52 1HG2 THR 52 1.660 -7.653 -9.380 415 2HG2 THR 52 2HG2 THR 52 3.088 -6.643 -9.052 416 3HG2 THR 52 3HG2 THR 52 1.752 -6.703 -7.877 417 H HIS 53 H HIS 53 1.530 -2.231 -8.990 418 HA HIS 53 HA HIS 53 0.775 -0.300 -9.728 419 1HB HIS 53 1HB HIS 53 2.603 -0.594 -11.486 420 2HB HIS 53 2HB HIS 53 1.346 -1.146 -12.575 421 HD1 HIS 53 1HD HIS 53 0.955 1.747 -10.119 422 HD2 HIS 53 2HD HIS 53 1.267 1.059 -14.246 423 HE1 HIS 53 1HE HIS 53 0.478 3.982 -11.256 424 H GLU 54 H GLU 54 -0.924 -2.527 -9.189 425 HA GLU 54 HA GLU 54 -3.141 -1.750 -10.889 426 1HB GLU 54 1HB GLU 54 -2.172 -4.579 -10.383 427 2HB GLU 54 2HB GLU 54 -3.862 -4.271 -10.733 428 1HG GLU 54 1HG GLU 54 -2.290 -2.775 -12.635 429 2HG GLU 54 2HG GLU 54 -1.646 -4.403 -12.580 430 H THR 55 H THR 55 -5.304 -2.381 -9.867 431 HA THR 55 HA THR 55 -5.073 -1.994 -6.978 432 HB THR 55 HB THR 55 -7.017 -1.326 -9.162 433 HG1 THR 55 1HG THR 55 -6.966 0.585 -7.820 434 1HG2 THR 55 1HG2 THR 55 -8.897 -1.097 -7.633 435 2HG2 THR 55 2HG2 THR 55 -8.351 -2.787 -7.516 436 3HG2 THR 55 3HG2 THR 55 -7.904 -1.618 -6.249 437 H ALA 56 H ALA 56 -6.718 -3.137 -5.578 438 HA ALA 56 HA ALA 56 -7.675 -5.649 -6.555 439 1HB ALA 56 1HB ALA 56 -5.913 -6.193 -4.284 440 2HB ALA 56 2HB ALA 56 -6.042 -7.033 -5.849 441 3HB ALA 56 3HB ALA 56 -5.012 -5.588 -5.695 442 H PHE 57 H PHE 57 -8.380 -6.965 -4.354 443 HA PHE 57 HA PHE 57 -9.654 -4.916 -2.678 444 1HB PHE 57 1HB PHE 57 -11.540 -6.552 -2.557 445 2HB PHE 57 2HB PHE 57 -11.174 -6.210 -4.236 446 HD1 PHE 57 1HD PHE 57 -9.700 -7.872 -5.497 447 HD2 PHE 57 2HD PHE 57 -11.485 -8.753 -1.750 448 HE1 PHE 57 1HE PHE 57 -9.407 -10.326 -5.934 449 HE2 PHE 57 2HE PHE 57 -11.191 -11.207 -2.187 450 HZ PHE 57 HZ PHE 57 -10.156 -11.965 -4.274 451 H LEU 58 H LEU 58 -8.659 -4.881 -0.714 452 HA LEU 58 HA LEU 58 -8.254 -7.469 0.581 453 1HB LEU 58 1HB LEU 58 -6.200 -5.264 0.384 454 2HB LEU 58 2HB LEU 58 -6.092 -6.623 1.484 455 HG LEU 58 HG LEU 58 -6.073 -6.747 -1.544 456 1HD1 LEU 58 1HD1 LEU 58 -4.000 -5.907 -0.419 457 2HD1 LEU 58 2HD1 LEU 58 -3.882 -7.475 0.414 458 3HD1 LEU 58 3HD1 LEU 58 -3.782 -7.402 -1.360 459 1HD2 LEU 58 1HD2 LEU 58 -6.749 -8.779 0.410 460 2HD2 LEU 58 2HD2 LEU 58 -6.818 -8.833 -1.368 461 3HD2 LEU 58 3HD2 LEU 58 -5.303 -9.233 -0.524 462 H GLY 59 H GLY 59 -7.516 -6.827 3.050 463 1HA GLY 59 1HA GLY 59 -9.458 -4.764 3.910 464 2HA GLY 59 2HA GLY 59 -9.254 -6.305 4.720 465 HA PRO 60 HA PRO 60 -6.452 -3.482 6.841 466 1HB PRO 60 1HB PRO 60 -7.158 -4.162 9.393 467 2HB PRO 60 2HB PRO 60 -7.887 -2.829 8.521 468 1HG PRO 60 1HG PRO 60 -9.016 -5.496 9.111 469 2HG PRO 60 2HG PRO 60 -9.851 -4.033 8.632 470 1HD PRO 60 1HD PRO 60 -9.260 -6.295 6.969 471 2HD PRO 60 2HD PRO 60 -9.992 -4.785 6.462 472 H LYS 61 H LYS 61 -7.159 -6.823 7.656 473 HA LYS 61 HA LYS 61 -4.728 -7.338 8.902 474 1HB LYS 61 1HB LYS 61 -6.354 -9.330 7.308 475 2HB LYS 61 2HB LYS 61 -5.301 -9.646 8.673 476 1HG LYS 61 1HG LYS 61 -7.292 -7.641 9.402 477 2HG LYS 61 2HG LYS 61 -8.087 -9.054 8.739 478 1HD LYS 61 1HD LYS 61 -6.572 -10.454 10.319 479 2HD LYS 61 2HD LYS 61 -6.176 -8.940 11.108 480 1HE LYS 61 1HE LYS 61 -9.094 -9.571 10.659 481 2HE LYS 61 2HE LYS 61 -8.250 -10.451 11.918 482 1HZ LYS 61 1HZ LYS 61 -8.095 -8.628 13.161 483 2HZ LYS 61 2HZ LYS 61 -7.764 -7.629 11.912 484 3HZ LYS 61 3HZ LYS 61 -9.310 -8.044 12.238 485 H ASP 62 H ASP 62 -5.733 -7.565 5.439 486 HA ASP 62 HA ASP 62 -3.412 -8.684 4.512 487 1HB ASP 62 1HB ASP 62 -5.610 -6.996 3.369 488 2HB ASP 62 2HB ASP 62 -4.142 -7.084 2.416 489 H LEU 63 H LEU 63 -4.029 -5.569 5.898 490 HA LEU 63 HA LEU 63 -1.644 -4.434 4.623 491 1HB LEU 63 1HB LEU 63 -4.220 -3.400 5.059 492 2HB LEU 63 2HB LEU 63 -3.183 -2.579 6.209 493 HG LEU 63 HG LEU 63 -1.834 -1.639 4.520 494 1HD1 LEU 63 1HD1 LEU 63 -2.724 -2.459 2.026 495 2HD1 LEU 63 2HD1 LEU 63 -1.215 -2.952 2.830 496 3HD1 LEU 63 3HD1 LEU 63 -2.672 -3.966 2.973 497 1HD2 LEU 63 1HD2 LEU 63 -3.435 -0.467 3.051 498 2HD2 LEU 63 2HD2 LEU 63 -4.706 -1.607 3.554 499 3HD2 LEU 63 3HD2 LEU 63 -3.967 -0.515 4.750 500 H PHE 64 H PHE 64 0.131 -3.845 5.851 501 HA PHE 64 HA PHE 64 -0.136 -4.271 8.739 502 1HB PHE 64 1HB PHE 64 1.478 -5.636 6.663 503 2HB PHE 64 2HB PHE 64 2.517 -4.928 7.883 504 HD1 PHE 64 1HD PHE 64 -0.504 -7.089 7.563 505 HD2 PHE 64 2HD PHE 64 2.945 -6.107 9.833 506 HE1 PHE 64 1HE PHE 64 -0.937 -9.049 9.071 507 HE2 PHE 64 2HE PHE 64 2.510 -8.067 11.341 508 HZ PHE 64 HZ PHE 64 0.574 -9.514 10.941 509 HA PRO 65 HA PRO 65 1.933 -0.464 8.924 510 1HB PRO 65 1HB PRO 65 2.685 -0.451 11.552 511 2HB PRO 65 2HB PRO 65 1.073 -0.022 11.014 512 1HG PRO 65 1HG PRO 65 1.989 -2.506 12.330 513 2HG PRO 65 2HG PRO 65 0.358 -1.885 12.174 514 1HD PRO 65 1HD PRO 65 1.533 -4.019 10.660 515 2HD PRO 65 2HD PRO 65 -0.056 -3.319 10.426 516 H TYR 66 H TYR 66 3.968 0.641 9.040 517 HA TYR 66 HA TYR 66 6.057 -1.174 8.312 518 1HB TYR 66 1HB TYR 66 5.969 0.956 7.180 519 2HB TYR 66 2HB TYR 66 5.545 1.814 8.647 520 HD1 TYR 66 1HD TYR 66 8.326 0.320 6.730 521 HD2 TYR 66 2HD TYR 66 7.247 2.635 10.162 522 HE1 TYR 66 1HE TYR 66 10.755 1.006 7.039 523 HE2 TYR 66 2HE TYR 66 9.679 3.313 10.460 524 HH TYR 66 HH TYR 66 12.026 2.718 8.032 525 H GLU 67 H GLU 67 5.190 0.843 11.156 526 HA GLU 67 HA GLU 67 7.595 0.748 12.450 527 1HB GLU 67 1HB GLU 67 4.723 0.995 13.330 528 2HB GLU 67 2HB GLU 67 5.947 0.769 14.566 529 1HG GLU 67 1HG GLU 67 7.092 2.784 13.975 530 2HG GLU 67 2HG GLU 67 6.315 2.876 12.407 531 H GLU 68 H GLU 68 4.810 -1.572 12.632 532 HA GLU 68 HA GLU 68 6.112 -3.259 14.443 533 1HB GLU 68 1HB GLU 68 3.551 -3.018 13.560 534 2HB GLU 68 2HB GLU 68 4.046 -4.395 12.595 535 1HG GLU 68 1HG GLU 68 5.004 -4.742 15.321 536 2HG GLU 68 2HG GLU 68 3.292 -4.372 15.356 537 H SER 69 H SER 69 5.725 -3.273 10.847 538 HA SER 69 HA SER 69 6.905 -5.711 10.401 539 1HB SER 69 1HB SER 69 6.753 -5.147 8.174 540 2HB SER 69 2HB SER 69 5.721 -3.888 8.821 541 HG SER 69 HG SER 69 7.533 -2.426 8.790 542 H LYS 70 H LYS 70 8.353 -2.386 10.523 543 HA LYS 70 HA LYS 70 10.978 -3.280 10.008 544 1HB LYS 70 1HB LYS 70 11.488 -1.085 9.999 545 2HB LYS 70 2HB LYS 70 9.749 -0.880 9.949 546 1HG LYS 70 1HG LYS 70 10.031 -1.067 12.633 547 2HG LYS 70 2HG LYS 70 11.643 -0.491 12.256 548 1HD LYS 70 1HD LYS 70 10.760 1.493 11.141 549 2HD LYS 70 2HD LYS 70 9.120 0.877 11.219 550 1HE LYS 70 1HE LYS 70 9.088 2.293 13.068 551 2HE LYS 70 2HE LYS 70 9.595 0.808 13.849 552 1HZ LYS 70 1HZ LYS 70 11.750 2.331 12.758 553 2HZ LYS 70 2HZ LYS 70 10.937 3.107 13.941 554 3HZ LYS 70 3HZ LYS 70 11.602 1.644 14.232 555 H GLU 71 H GLU 71 8.893 -3.485 12.764 556 HA GLU 71 HA GLU 71 10.884 -3.331 14.734 557 1HB GLU 71 1HB GLU 71 8.296 -3.128 14.955 558 2HB GLU 71 2HB GLU 71 8.283 -4.880 14.990 559 1HG GLU 71 1HG GLU 71 9.917 -4.815 16.921 560 2HG GLU 71 2HG GLU 71 9.816 -3.066 16.913 561 H LYS 72 H LYS 72 9.367 -6.031 12.879 562 HA LYS 72 HA LYS 72 11.343 -7.831 14.087 563 1HB LYS 72 1HB LYS 72 9.654 -9.537 12.927 564 2HB LYS 72 2HB LYS 72 9.401 -8.910 14.542 565 1HG LYS 72 1HG LYS 72 7.710 -7.424 13.860 566 2HG LYS 72 2HG LYS 72 8.311 -7.322 12.218 567 1HD LYS 72 1HD LYS 72 7.212 -9.942 13.296 568 2HD LYS 72 2HD LYS 72 6.129 -8.708 12.683 569 1HE LYS 72 1HE LYS 72 7.670 -8.697 10.558 570 2HE LYS 72 2HE LYS 72 8.297 -10.214 11.174 571 1HZ LYS 72 1HZ LYS 72 5.834 -9.710 9.913 572 2HZ LYS 72 2HZ LYS 72 6.547 -11.142 10.244 573 3HZ LYS 72 3HZ LYS 72 5.589 -10.429 11.357 574 H PHE 73 H PHE 73 9.547 -7.582 10.936 575 HA PHE 73 HA PHE 73 12.154 -7.746 9.614 576 1HB PHE 73 1HB PHE 73 9.661 -9.460 9.444 577 2HB PHE 73 2HB PHE 73 10.479 -9.132 7.930 578 HD1 PHE 73 1HD PHE 73 12.028 -10.684 7.238 579 HD2 PHE 73 2HD PHE 73 11.371 -10.200 11.402 580 HE1 PHE 73 1HE PHE 73 13.646 -12.545 7.710 581 HE2 PHE 73 2HE PHE 73 12.988 -12.060 11.874 582 HZ PHE 73 HZ PHE 73 14.106 -13.210 10.022 583 H GLY 74 H GLY 74 8.859 -7.879 8.194 584 1HA GLY 74 1HA GLY 74 7.695 -6.391 6.964 585 2HA GLY 74 2HA GLY 74 8.663 -5.097 7.646 586 H LYS 75 H LYS 75 10.638 -7.596 6.317 587 HA LYS 75 HA LYS 75 10.964 -5.998 3.872 588 1HB LYS 75 1HB LYS 75 13.088 -7.688 5.213 589 2HB LYS 75 2HB LYS 75 13.295 -6.547 3.899 590 1HG LYS 75 1HG LYS 75 12.994 -4.664 5.299 591 2HG LYS 75 2HG LYS 75 12.104 -5.572 6.505 592 1HD LYS 75 1HD LYS 75 14.136 -6.722 7.244 593 2HD LYS 75 2HD LYS 75 15.060 -6.051 5.914 594 1HE LYS 75 1HE LYS 75 13.680 -4.247 7.941 595 2HE LYS 75 2HE LYS 75 15.274 -4.907 8.250 596 1HZ LYS 75 1HZ LYS 75 16.176 -3.688 6.583 597 2HZ LYS 75 2HZ LYS 75 14.805 -3.606 5.699 598 3HZ LYS 75 3HZ LYS 75 14.980 -2.665 7.023 599 HA PRO 76 HA PRO 76 9.450 -9.879 2.341 600 1HB PRO 76 1HB PRO 76 8.196 -8.866 0.134 601 2HB PRO 76 2HB PRO 76 7.400 -9.061 1.683 602 1HG PRO 76 1HG PRO 76 8.378 -6.583 0.400 603 2HG PRO 76 2HG PRO 76 7.228 -6.761 1.711 604 1HD PRO 76 1HD PRO 76 9.972 -5.958 1.934 605 2HD PRO 76 2HD PRO 76 8.855 -6.249 3.252 606 H ASN 77 H ASN 77 9.566 -10.975 0.079 607 HA ASN 77 HA ASN 77 12.172 -11.244 -0.501 608 1HB ASN 77 1HB ASN 77 10.016 -11.383 -2.660 609 2HB ASN 77 2HB ASN 77 11.470 -12.356 -2.546 610 1HD2 ASN 77 1HD2 ASN 77 8.337 -11.668 -1.115 611 2HD2 ASN 77 2HD2 ASN 77 8.105 -13.180 -0.303 612 H LYS 78 H LYS 78 13.695 -10.120 -1.797 613 HA LYS 78 HA LYS 78 12.833 -7.536 -2.779 614 1HB LYS 78 1HB LYS 78 15.342 -8.766 -1.864 615 2HB LYS 78 2HB LYS 78 15.539 -7.755 -3.282 616 1HG LYS 78 1HG LYS 78 13.784 -6.613 -1.150 617 2HG LYS 78 2HG LYS 78 15.467 -6.798 -0.703 618 1HD LYS 78 1HD LYS 78 15.296 -5.705 -3.398 619 2HD LYS 78 2HD LYS 78 14.306 -4.745 -2.317 620 1HE LYS 78 1HE LYS 78 16.130 -4.103 -0.979 621 2HE LYS 78 2HE LYS 78 17.067 -5.529 -1.379 622 1HZ LYS 78 1HZ LYS 78 17.877 -3.532 -2.465 623 2HZ LYS 78 2HZ LYS 78 17.420 -4.653 -3.561 624 3HZ LYS 78 3HZ LYS 78 16.465 -3.361 -3.269 625 H ARG 79 H ARG 79 11.581 -7.995 -4.620 626 HA ARG 79 HA ARG 79 12.945 -9.521 -6.667 627 1HB ARG 79 1HB ARG 79 10.043 -8.630 -6.332 628 2HB ARG 79 2HB ARG 79 10.627 -9.358 -7.816 629 1HG ARG 79 1HG ARG 79 11.185 -10.769 -5.201 630 2HG ARG 79 2HG ARG 79 9.566 -10.855 -5.867 631 1HD ARG 79 1HD ARG 79 10.239 -12.097 -7.730 632 2HD ARG 79 2HD ARG 79 11.846 -11.399 -7.757 633 HE ARG 79 HE ARG 79 11.620 -12.891 -5.346 634 1HH1 ARG 79 2HH2 ARG 79 11.659 -13.467 -8.818 635 2HH1 ARG 79 1HH2 ARG 79 12.319 -15.062 -8.675 636 1HH2 ARG 79 2HH1 ARG 79 12.492 -14.995 -5.157 637 2HH2 ARG 79 1HH1 ARG 79 12.796 -15.937 -6.579 638 H LYS 80 H LYS 80 11.905 -8.522 -9.022 639 HA LYS 80 HA LYS 80 13.357 -6.116 -9.324 640 1HB LYS 80 1HB LYS 80 12.370 -8.156 -10.978 641 2HB LYS 80 2HB LYS 80 11.527 -6.712 -11.503 642 1HG LYS 80 1HG LYS 80 13.552 -5.555 -12.003 643 2HG LYS 80 2HG LYS 80 14.522 -6.627 -11.013 644 1HD LYS 80 1HD LYS 80 15.038 -7.555 -13.060 645 2HD LYS 80 2HD LYS 80 13.575 -8.470 -12.755 646 1HE LYS 80 1HE LYS 80 12.256 -7.073 -14.184 647 2HE LYS 80 2HE LYS 80 13.443 -5.783 -14.172 648 1HZ LYS 80 1HZ LYS 80 13.553 -7.006 -16.204 649 2HZ LYS 80 2HZ LYS 80 14.937 -7.254 -15.375 650 3HZ LYS 80 3HZ LYS 80 13.795 -8.418 -15.422 651 H GLY 81 H GLY 81 9.853 -6.954 -9.118 652 1HA GLY 81 1HA GLY 81 8.971 -4.274 -9.556 653 2HA GLY 81 2HA GLY 81 8.025 -5.632 -8.981 654 H PHE 82 H PHE 82 10.556 -5.807 -6.925 655 HA PHE 82 HA PHE 82 9.110 -4.431 -4.862 656 1HB PHE 82 1HB PHE 82 10.211 -6.678 -4.577 657 2HB PHE 82 2HB PHE 82 11.761 -5.989 -5.017 658 HD1 PHE 82 1HD PHE 82 12.462 -3.899 -3.489 659 HD2 PHE 82 2HD PHE 82 9.792 -6.989 -2.335 660 HE1 PHE 82 1HE PHE 82 12.926 -3.400 -1.072 661 HE2 PHE 82 2HE PHE 82 10.255 -6.490 0.080 662 HZ PHE 82 HZ PHE 82 11.817 -4.701 0.682 663 H SER 83 H SER 83 12.368 -4.205 -6.439 664 HA SER 83 HA SER 83 13.186 -2.052 -4.867 665 1HB SER 83 1HB SER 83 14.708 -3.569 -6.157 666 2HB SER 83 2HB SER 83 14.120 -2.871 -7.654 667 HG SER 83 HG SER 83 15.693 -1.627 -5.588 668 H GLU 84 H GLU 84 11.941 -2.254 -8.282 669 HA GLU 84 HA GLU 84 11.904 0.530 -8.591 670 1HB GLU 84 1HB GLU 84 11.109 0.096 -10.737 671 2HB GLU 84 2HB GLU 84 11.881 -1.431 -10.359 672 1HG GLU 84 1HG GLU 84 9.640 -2.311 -9.561 673 2HG GLU 84 2HG GLU 84 8.904 -0.808 -10.080 674 H GLY 85 H GLY 85 9.644 -1.853 -7.261 675 1HA GLY 85 1HA GLY 85 7.275 -0.326 -7.444 676 2HA GLY 85 2HA GLY 85 7.589 -1.670 -6.363 677 H LEU 86 H LEU 86 9.522 -0.939 -4.641 678 HA LEU 86 HA LEU 86 8.244 0.827 -2.920 679 1HB LEU 86 1HB LEU 86 9.584 -0.569 -1.777 680 2HB LEU 86 2HB LEU 86 10.797 -0.639 -3.039 681 HG LEU 86 HG LEU 86 11.635 0.359 -0.946 682 1HD1 LEU 86 1HD1 LEU 86 11.962 2.755 -2.459 683 2HD1 LEU 86 2HD1 LEU 86 13.094 1.397 -2.251 684 3HD1 LEU 86 3HD1 LEU 86 11.919 1.380 -3.588 685 1HD2 LEU 86 1HD2 LEU 86 10.596 2.972 -1.019 686 2HD2 LEU 86 2HD2 LEU 86 9.192 1.882 -1.120 687 3HD2 LEU 86 3HD2 LEU 86 10.343 1.728 0.229 688 H TRP 87 H TRP 87 10.466 1.349 -5.609 689 HA TRP 87 HA TRP 87 11.070 4.045 -4.753 690 1HB TRP 87 1HB TRP 87 12.289 2.123 -6.417 691 2HB TRP 87 2HB TRP 87 11.824 3.447 -7.465 692 HD1 TRP 87 HD TRP 87 13.041 5.859 -6.991 693 HE1 TRP 87 1HE TRP 87 15.269 6.585 -5.777 694 HE3 TRP 87 3HE TRP 87 13.708 1.493 -4.470 695 HZ2 TRP 87 2HZ TRP 87 17.021 5.278 -3.939 696 HZ3 TRP 87 3HZ TRP 87 15.702 1.301 -2.988 697 HH2 TRP 87 HH TRP 87 17.327 3.103 -2.702 698 H GLU 88 H GLU 88 8.699 2.244 -6.602 699 HA GLU 88 HA GLU 88 7.970 4.354 -8.314 700 1HB GLU 88 1HB GLU 88 7.008 1.624 -7.660 701 2HB GLU 88 2HB GLU 88 5.736 2.723 -8.156 702 1HG GLU 88 1HG GLU 88 8.194 2.886 -9.825 703 2HG GLU 88 2HG GLU 88 7.390 1.330 -9.890 704 H ILE 89 H ILE 89 7.333 3.555 -4.963 705 HA ILE 89 HA ILE 89 5.049 5.380 -4.914 706 HB ILE 89 HB ILE 89 4.377 3.505 -3.823 707 1HG1 ILE 89 1HG1 ILE 89 4.571 5.656 -2.301 708 2HG1 ILE 89 2HG1 ILE 89 3.984 4.131 -1.667 709 1HG2 ILE 89 1HG2 ILE 89 6.167 2.044 -3.933 710 2HG2 ILE 89 2HG2 ILE 89 7.259 3.145 -3.061 711 3HG2 ILE 89 3HG2 ILE 89 5.977 2.282 -2.178 712 1HD1 ILE 89 1HD1 ILE 89 5.768 5.309 -0.256 713 2HD1 ILE 89 2HD1 ILE 89 6.109 3.609 -0.656 714 3HD1 ILE 89 3HD1 ILE 89 6.926 4.913 -1.549 715 H GLU 90 H GLU 90 8.350 4.817 -3.600 716 HA GLU 90 HA GLU 90 8.227 7.183 -2.036 717 1HB GLU 90 1HB GLU 90 10.263 5.061 -2.634 718 2HB GLU 90 2HB GLU 90 10.874 6.606 -2.079 719 1HG GLU 90 1HG GLU 90 8.725 6.132 -0.347 720 2HG GLU 90 2HG GLU 90 9.392 4.529 -0.585 721 H ASN 91 H ASN 91 9.156 6.296 -5.325 722 HA ASN 91 HA ASN 91 9.900 9.079 -5.728 723 1HB ASN 91 1HB ASN 91 11.225 6.738 -7.182 724 2HB ASN 91 2HB ASN 91 11.706 8.422 -7.243 725 1HD2 ASN 91 1HD2 ASN 91 10.954 5.985 -4.749 726 2HD2 ASN 91 2HD2 ASN 91 12.338 6.265 -3.745 727 H ASN 92 H ASN 92 7.344 8.562 -6.197 728 HA ASN 92 HA ASN 92 6.699 7.139 -8.476 729 1HB ASN 92 1HB ASN 92 4.529 8.315 -8.341 730 2HB ASN 92 2HB ASN 92 5.058 7.888 -6.726 731 1HD2 ASN 92 1HD2 ASN 92 4.446 9.409 -5.391 732 2HD2 ASN 92 2HD2 ASN 92 4.639 11.118 -5.589 733 HA PRO 93 HA PRO 93 7.677 10.037 -11.619 734 1HB PRO 93 1HB PRO 93 5.843 9.463 -13.563 735 2HB PRO 93 2HB PRO 93 7.287 8.506 -13.295 736 1HG PRO 93 1HG PRO 93 4.488 7.876 -12.584 737 2HG PRO 93 2HG PRO 93 5.857 6.791 -12.718 738 1HD PRO 93 1HD PRO 93 4.682 7.780 -10.296 739 2HD PRO 93 2HD PRO 93 6.121 6.791 -10.434 740 H THR 94 H THR 94 4.589 10.119 -10.186 741 HA THR 94 HA THR 94 4.486 12.977 -10.804 742 HB THR 94 HB THR 94 3.075 11.676 -12.479 743 HG1 THR 94 1HG THR 94 2.421 13.810 -11.906 744 1HG2 THR 94 1HG2 THR 94 1.381 10.260 -11.816 745 2HG2 THR 94 2HG2 THR 94 2.306 10.128 -10.300 746 3HG2 THR 94 3HG2 THR 94 0.958 11.285 -10.422 747 H VAL 95 H VAL 95 5.127 13.497 -8.714 748 HA VAL 95 HA VAL 95 3.519 12.385 -6.555 749 HB VAL 95 HB VAL 95 5.929 12.361 -6.317 750 1HG1 VAL 95 1HG1 VAL 95 6.870 14.863 -5.889 751 2HG1 VAL 95 2HG1 VAL 95 6.981 14.018 -7.453 752 3HG1 VAL 95 3HG1 VAL 95 5.675 15.194 -7.168 753 1HG2 VAL 95 1HG2 VAL 95 5.691 14.362 -4.311 754 2HG2 VAL 95 2HG2 VAL 95 4.097 13.587 -4.480 755 3HG2 VAL 95 3HG2 VAL 95 5.535 12.598 -4.136 756 H LYS 96 H LYS 96 2.189 13.651 -5.210 757 HA LYS 96 HA LYS 96 1.629 16.318 -6.307 758 1HB LYS 96 1HB LYS 96 -0.617 15.990 -5.981 759 2HB LYS 96 2HB LYS 96 -0.115 14.362 -6.389 760 1HG LYS 96 1HG LYS 96 0.226 14.057 -3.796 761 2HG LYS 96 2HG LYS 96 -0.765 15.495 -3.648 762 1HD LYS 96 1HD LYS 96 -1.655 13.099 -5.304 763 2HD LYS 96 2HD LYS 96 -1.980 13.202 -3.585 764 1HE LYS 96 1HE LYS 96 -2.722 15.539 -5.364 765 2HE LYS 96 2HE LYS 96 -3.753 14.121 -5.348 766 1HZ LYS 96 1HZ LYS 96 -3.354 16.082 -3.316 767 2HZ LYS 96 2HZ LYS 96 -4.629 15.096 -3.575 768 3HZ LYS 96 3HZ LYS 96 -3.331 14.549 -2.748 769 H ALA 97 H ALA 97 2.124 14.316 -3.367 770 HA ALA 97 HA ALA 97 1.668 16.350 -1.509 771 1HB ALA 97 1HB ALA 97 2.718 13.623 -1.600 772 2HB ALA 97 2HB ALA 97 3.594 14.629 -0.422 773 3HB ALA 97 3HB ALA 97 1.827 14.454 -0.303 774 H SER 98 H SER 98 3.480 17.257 -0.039 775 HA SER 98 HA SER 98 5.942 17.678 -1.450 776 1HB SER 98 1HB SER 98 4.125 20.009 -0.689 777 2HB SER 98 2HB SER 98 5.776 20.173 -1.253 778 HG SER 98 HG SER 98 4.865 20.260 -3.195 779 H GLY 99 H GLY 99 7.666 18.086 -0.005 780 1HA GLY 99 1HA GLY 99 8.049 19.225 2.251 781 2HA GLY 99 2HA GLY 99 6.915 18.029 2.846 782 H TYR 100 H TYR 100 7.760 16.141 3.613 783 HA TYR 100 HA TYR 100 10.449 15.423 2.652 784 1HB TYR 100 1HB TYR 100 9.626 14.185 5.164 785 2HB TYR 100 2HB TYR 100 10.934 15.327 4.924 786 HD1 TYR 100 1HD TYR 100 9.871 17.866 4.418 787 HD2 TYR 100 2HD TYR 100 8.163 14.788 6.849 788 HE1 TYR 100 1HE TYR 100 8.579 19.613 5.736 789 HE2 TYR 100 2HE TYR 100 6.878 16.546 8.160 790 HH TYR 100 HH TYR 100 6.188 18.666 8.125 Start of MODEL 16 1 H MET 1 H MET 1 14.851 16.346 9.217 2 HA MET 1 HA MET 1 12.433 17.785 9.975 3 1HB MET 1 1HB MET 1 13.814 17.597 7.251 4 2HB MET 1 2HB MET 1 12.119 18.023 7.381 5 1HG MET 1 1HG MET 1 12.760 20.178 7.719 6 2HG MET 1 2HG MET 1 13.394 19.689 9.278 7 1HE MET 1 1HE MET 1 15.577 21.507 9.247 8 2HE MET 1 2HE MET 1 15.480 19.891 9.985 9 3HE MET 1 3HE MET 1 16.933 20.365 9.075 10 H SER 2 H SER 2 11.071 16.138 10.587 11 HA SER 2 HA SER 2 10.901 13.904 8.716 12 1HB SER 2 1HB SER 2 11.288 13.945 11.622 13 2HB SER 2 2HB SER 2 9.861 13.025 11.189 14 HG SER 2 HG SER 2 12.279 12.088 11.156 15 H ARG 3 H ARG 3 8.686 12.891 8.592 16 HA ARG 3 HA ARG 3 6.729 14.996 8.806 17 1HB ARG 3 1HB ARG 3 5.408 13.703 7.235 18 2HB ARG 3 2HB ARG 3 7.063 13.653 6.661 19 1HG ARG 3 1HG ARG 3 7.278 11.435 8.024 20 2HG ARG 3 2HG ARG 3 5.529 11.468 8.115 21 1HD ARG 3 1HD ARG 3 5.419 11.585 5.600 22 2HD ARG 3 2HD ARG 3 7.167 11.495 5.534 23 HE ARG 3 HE ARG 3 5.324 9.292 6.109 24 1HH1 ARG 3 2HH2 ARG 3 8.627 10.452 6.475 25 2HH1 ARG 3 1HH2 ARG 3 9.299 8.867 6.665 26 1HH2 ARG 3 2HH1 ARG 3 6.211 7.200 6.359 27 2HH2 ARG 3 1HH1 ARG 3 7.915 7.004 6.597 28 H SER 4 H SER 4 4.381 14.174 9.411 29 HA SER 4 HA SER 4 4.693 12.399 11.705 30 1HB SER 4 1HB SER 4 3.701 15.054 11.569 31 2HB SER 4 2HB SER 4 2.281 14.048 11.780 32 HG SER 4 HG SER 4 3.812 12.979 13.530 33 H ASN 5 H ASN 5 3.443 10.541 11.738 34 HA ASN 5 HA ASN 5 1.452 10.361 9.617 35 1HB ASN 5 1HB ASN 5 1.804 7.820 9.946 36 2HB ASN 5 2HB ASN 5 3.147 8.691 9.233 37 1HD2 ASN 5 1HD2 ASN 5 1.868 7.209 12.134 38 2HD2 ASN 5 2HD2 ASN 5 3.359 7.033 12.998 39 H ARG 6 H ARG 6 -0.022 8.156 10.460 40 HA ARG 6 HA ARG 6 -1.194 9.194 12.881 41 1HB ARG 6 1HB ARG 6 -3.200 8.054 12.230 42 2HB ARG 6 2HB ARG 6 -2.535 8.675 10.731 43 1HG ARG 6 1HG ARG 6 -1.346 6.092 11.191 44 2HG ARG 6 2HG ARG 6 -3.069 5.927 11.458 45 1HD ARG 6 1HD ARG 6 -3.248 5.757 9.189 46 2HD ARG 6 2HD ARG 6 -3.001 7.492 9.156 47 HE ARG 6 HE ARG 6 -0.948 5.415 8.603 48 1HH1 ARG 6 2HH2 ARG 6 -1.747 8.826 8.928 49 2HH1 ARG 6 1HH2 ARG 6 -0.321 9.370 8.109 50 1HH2 ARG 6 2HH1 ARG 6 0.933 6.132 7.523 51 2HH2 ARG 6 1HH1 ARG 6 1.215 7.827 7.304 52 H GLN 7 H GLN 7 -2.397 7.113 14.128 53 HA GLN 7 HA GLN 7 -0.135 5.412 14.792 54 1HB GLN 7 1HB GLN 7 -2.316 5.155 16.670 55 2HB GLN 7 2HB GLN 7 -0.701 5.779 16.946 56 1HG GLN 7 1HG GLN 7 -2.033 7.648 17.462 57 2HG GLN 7 2HG GLN 7 -1.589 7.973 15.798 58 1HE2 GLN 7 1HE2 GLN 7 -3.193 8.752 14.683 59 2HE2 GLN 7 2HE2 GLN 7 -4.861 8.289 14.762 60 H LYS 8 H LYS 8 -3.774 5.197 14.714 61 HA LYS 8 HA LYS 8 -3.432 2.544 13.503 62 1HB LYS 8 1HB LYS 8 -5.458 1.841 14.803 63 2HB LYS 8 2HB LYS 8 -4.019 2.107 15.764 64 1HG LYS 8 1HG LYS 8 -5.724 3.216 16.991 65 2HG LYS 8 2HG LYS 8 -4.905 4.517 16.151 66 1HD LYS 8 1HD LYS 8 -6.851 5.107 15.153 67 2HD LYS 8 2HD LYS 8 -6.926 3.543 14.367 68 1HE LYS 8 1HE LYS 8 -7.717 2.961 16.995 69 2HE LYS 8 2HE LYS 8 -8.430 4.536 16.709 70 1HZ LYS 8 1HZ LYS 8 -9.594 2.350 15.949 71 2HZ LYS 8 2HZ LYS 8 -9.734 3.722 15.075 72 3HZ LYS 8 3HZ LYS 8 -8.685 2.562 14.608 73 H GLU 9 H GLU 9 -5.314 5.567 13.874 74 HA GLU 9 HA GLU 9 -7.318 4.869 12.078 75 1HB GLU 9 1HB GLU 9 -7.967 7.168 12.179 76 2HB GLU 9 2HB GLU 9 -7.308 6.792 13.760 77 1HG GLU 9 1HG GLU 9 -6.124 8.739 13.370 78 2HG GLU 9 2HG GLU 9 -5.017 7.622 12.598 79 H TYR 10 H TYR 10 -7.081 4.379 9.944 80 HA TYR 10 HA TYR 10 -5.207 6.026 8.401 81 1HB TYR 10 1HB TYR 10 -4.245 4.017 7.497 82 2HB TYR 10 2HB TYR 10 -4.498 3.570 9.172 83 HD1 TYR 10 1HD TYR 10 -5.000 2.571 5.841 84 HD2 TYR 10 2HD TYR 10 -6.894 2.489 9.676 85 HE1 TYR 10 1HE TYR 10 -6.421 0.595 5.105 86 HE2 TYR 10 2HE TYR 10 -8.309 0.515 8.928 87 HH TYR 10 HH TYR 10 -8.928 -0.713 7.234 88 H LYS 11 H LYS 11 -6.078 6.828 6.540 89 HA LYS 11 HA LYS 11 -8.413 5.437 5.457 90 1HB LYS 11 1HB LYS 11 -8.327 8.144 6.631 91 2HB LYS 11 2HB LYS 11 -9.051 8.073 5.036 92 1HG LYS 11 1HG LYS 11 -10.329 5.953 6.037 93 2HG LYS 11 2HG LYS 11 -9.926 6.684 7.579 94 1HD LYS 11 1HD LYS 11 -12.091 7.547 6.981 95 2HD LYS 11 2HD LYS 11 -10.960 8.861 6.723 96 1HE LYS 11 1HE LYS 11 -11.995 8.989 4.671 97 2HE LYS 11 2HE LYS 11 -10.861 7.723 4.247 98 1HZ LYS 11 1HZ LYS 11 -12.470 6.170 4.313 99 2HZ LYS 11 2HZ LYS 11 -13.337 6.899 5.488 100 3HZ LYS 11 3HZ LYS 11 -13.429 7.442 3.951 101 H CYS 12 H CYS 12 -8.949 6.787 3.225 102 HA CYS 12 HA CYS 12 -7.128 6.051 1.426 103 1HB CYS 12 1HB CYS 12 -9.404 6.967 0.942 104 2HB CYS 12 2HB CYS 12 -8.781 8.586 1.190 105 HG CYS 12 HG CYS 12 -9.025 7.235 -1.407 106 H GLY 13 H GLY 13 -5.265 6.985 0.395 107 1HA GLY 13 1HA GLY 13 -3.655 8.606 0.051 108 2HA GLY 13 2HA GLY 13 -4.280 9.545 1.391 109 H ASP 14 H ASP 14 -4.219 6.384 2.506 110 HA ASP 14 HA ASP 14 -1.754 6.928 3.890 111 1HB ASP 14 1HB ASP 14 -3.957 6.136 4.994 112 2HB ASP 14 2HB ASP 14 -3.648 4.569 4.270 113 H LEU 15 H LEU 15 0.099 5.534 3.720 114 HA LEU 15 HA LEU 15 -0.123 3.472 1.640 115 1HB LEU 15 1HB LEU 15 1.584 5.735 1.859 116 2HB LEU 15 2HB LEU 15 2.574 4.305 2.070 117 HG LEU 15 HG LEU 15 2.620 4.857 -0.235 118 1HD1 LEU 15 1HD1 LEU 15 1.315 2.407 0.648 119 2HD1 LEU 15 2HD1 LEU 15 0.896 2.831 -1.030 120 3HD1 LEU 15 3HD1 LEU 15 2.603 2.655 -0.555 121 1HD2 LEU 15 1HD2 LEU 15 -0.411 4.897 -0.216 122 2HD2 LEU 15 2HD2 LEU 15 0.653 6.321 -0.286 123 3HD2 LEU 15 3HD2 LEU 15 0.640 5.152 -1.629 124 H VAL 16 H VAL 16 0.561 1.404 2.110 125 HA VAL 16 HA VAL 16 2.148 0.939 4.461 126 HB VAL 16 HB VAL 16 0.262 -0.780 5.157 127 1HG1 VAL 16 1HG1 VAL 16 -0.377 0.707 6.909 128 2HG1 VAL 16 2HG1 VAL 16 1.310 1.097 6.495 129 3HG1 VAL 16 3HG1 VAL 16 -0.012 2.142 5.920 130 1HG2 VAL 16 1HG2 VAL 16 -1.887 -0.327 4.575 131 2HG2 VAL 16 2HG2 VAL 16 -1.609 1.428 4.474 132 3HG2 VAL 16 3HG2 VAL 16 -1.108 0.370 3.134 133 H PHE 17 H PHE 17 2.185 -1.686 4.723 134 HA PHE 17 HA PHE 17 2.935 -2.574 2.065 135 1HB PHE 17 1HB PHE 17 3.733 -2.935 4.847 136 2HB PHE 17 2HB PHE 17 3.305 -4.512 4.212 137 HD1 PHE 17 1HD PHE 17 4.244 -4.585 1.530 138 HD2 PHE 17 2HD PHE 17 6.015 -2.666 4.875 139 HE1 PHE 17 1HE PHE 17 6.498 -4.756 0.436 140 HE2 PHE 17 2HE PHE 17 8.268 -2.838 3.781 141 HZ PHE 17 HZ PHE 17 8.483 -3.880 1.575 142 H ALA 18 H ALA 18 1.364 -3.524 0.848 143 HA ALA 18 HA ALA 18 -0.725 -5.013 2.232 144 1HB ALA 18 1HB ALA 18 -1.098 -3.209 0.409 145 2HB ALA 18 2HB ALA 18 -0.536 -4.448 -0.738 146 3HB ALA 18 3HB ALA 18 -1.987 -4.744 0.252 147 H LYS 19 H LYS 19 -0.997 -7.232 2.045 148 HA LYS 19 HA LYS 19 1.006 -8.603 0.392 149 1HB LYS 19 1HB LYS 19 1.320 -8.564 2.993 150 2HB LYS 19 2HB LYS 19 0.029 -9.748 2.996 151 1HG LYS 19 1HG LYS 19 1.290 -11.340 1.793 152 2HG LYS 19 2HG LYS 19 2.335 -10.128 1.078 153 1HD LYS 19 1HD LYS 19 3.572 -9.823 3.112 154 2HD LYS 19 2HD LYS 19 2.347 -10.619 4.078 155 1HE LYS 19 1HE LYS 19 3.364 -12.370 1.933 156 2HE LYS 19 2HE LYS 19 4.647 -11.822 2.994 157 1HZ LYS 19 1HZ LYS 19 3.210 -13.871 3.593 158 2HZ LYS 19 2HZ LYS 19 3.713 -12.852 4.765 159 3HZ LYS 19 3HZ LYS 19 2.183 -12.760 4.205 160 H MET 20 H MET 20 0.283 -10.377 -0.800 161 HA MET 20 HA MET 20 -2.553 -10.971 -0.484 162 1HB MET 20 1HB MET 20 -1.891 -9.423 -2.493 163 2HB MET 20 2HB MET 20 -1.106 -10.831 -3.179 164 1HG MET 20 1HG MET 20 -3.095 -11.802 -3.777 165 2HG MET 20 2HG MET 20 -3.860 -11.401 -2.253 166 1HE MET 20 1HE MET 20 -5.292 -11.605 -4.505 167 2HE MET 20 2HE MET 20 -6.322 -10.156 -4.576 168 3HE MET 20 3HE MET 20 -5.116 -10.453 -5.851 169 H LYS 21 H LYS 21 -3.192 -13.139 -1.328 170 HA LYS 21 HA LYS 21 -1.447 -15.118 -0.487 171 1HB LYS 21 1HB LYS 21 -4.054 -15.055 -0.910 172 2HB LYS 21 2HB LYS 21 -3.615 -15.693 -2.481 173 1HG LYS 21 1HG LYS 21 -3.674 -17.722 -1.420 174 2HG LYS 21 2HG LYS 21 -2.065 -17.291 -0.877 175 1HD LYS 21 1HD LYS 21 -2.816 -16.629 1.269 176 2HD LYS 21 2HD LYS 21 -4.459 -16.358 0.725 177 1HE LYS 21 1HE LYS 21 -4.252 -19.025 0.174 178 2HE LYS 21 2HE LYS 21 -3.111 -18.925 1.499 179 1HZ LYS 21 1HZ LYS 21 -5.962 -18.395 1.515 180 2HZ LYS 21 2HZ LYS 21 -5.055 -19.214 2.597 181 3HZ LYS 21 3HZ LYS 21 -5.026 -17.582 2.577 182 H GLY 22 H GLY 22 0.269 -16.131 -1.400 183 1HA GLY 22 1HA GLY 22 1.555 -17.021 -3.065 184 2HA GLY 22 2HA GLY 22 0.485 -16.345 -4.277 185 H TYR 23 H TYR 23 0.748 -13.661 -2.574 186 HA TYR 23 HA TYR 23 3.302 -12.886 -3.813 187 1HB TYR 23 1HB TYR 23 0.753 -12.037 -4.400 188 2HB TYR 23 2HB TYR 23 1.067 -10.976 -3.041 189 HD1 TYR 23 1HD TYR 23 2.591 -12.055 -6.292 190 HD2 TYR 23 2HD TYR 23 2.136 -8.932 -3.403 191 HE1 TYR 23 1HE TYR 23 3.828 -10.448 -7.825 192 HE2 TYR 23 2HE TYR 23 3.374 -7.335 -4.946 193 HH TYR 23 HH TYR 23 5.238 -7.831 -6.927 194 HA PRO 24 HA PRO 24 4.465 -11.905 0.267 195 1HB PRO 24 1HB PRO 24 6.934 -10.871 -0.275 196 2HB PRO 24 2HB PRO 24 6.630 -12.588 -0.108 197 1HG PRO 24 1HG PRO 24 7.100 -11.018 -2.569 198 2HG PRO 24 2HG PRO 24 7.218 -12.751 -2.333 199 1HD PRO 24 1HD PRO 24 5.081 -11.335 -3.620 200 2HD PRO 24 2HD PRO 24 5.145 -13.054 -3.281 201 H HIS 25 H HIS 25 5.167 -10.065 1.672 202 HA HIS 25 HA HIS 25 3.476 -8.015 1.449 203 1HB HIS 25 1HB HIS 25 5.840 -8.613 2.939 204 2HB HIS 25 2HB HIS 25 5.930 -6.934 2.449 205 HD1 HIS 25 1HD HIS 25 5.345 -8.146 5.414 206 HD2 HIS 25 2HD HIS 25 2.590 -6.370 2.796 207 HE1 HIS 25 1HE HIS 25 3.425 -7.297 6.864 208 H TRP 26 H TRP 26 3.183 -6.189 0.225 209 HA TRP 26 HA TRP 26 5.427 -5.292 -1.415 210 1HB TRP 26 1HB TRP 26 3.442 -6.896 -2.480 211 2HB TRP 26 2HB TRP 26 2.888 -5.277 -2.863 212 HD1 TRP 26 HD TRP 26 4.521 -3.799 -4.521 213 HE1 TRP 26 1HE TRP 26 6.348 -4.432 -6.317 214 HE3 TRP 26 3HE TRP 26 5.206 -8.573 -2.909 215 HZ2 TRP 26 2HZ TRP 26 7.841 -6.807 -6.850 216 HZ3 TRP 26 3HZ TRP 26 6.867 -9.981 -4.121 217 HH2 TRP 26 HH TRP 26 8.161 -9.168 -6.030 218 HA PRO 27 HA PRO 27 3.785 -1.516 -0.016 219 1HB PRO 27 1HB PRO 27 5.133 0.224 -1.637 220 2HB PRO 27 2HB PRO 27 5.834 -0.482 -0.194 221 1HG PRO 27 1HG PRO 27 6.351 -1.153 -3.027 222 2HG PRO 27 2HG PRO 27 7.321 -1.526 -1.616 223 1HD PRO 27 1HD PRO 27 5.611 -3.328 -3.048 224 2HD PRO 27 2HD PRO 27 6.491 -3.669 -1.571 225 H ALA 28 H ALA 28 1.662 -1.178 -0.245 226 HA ALA 28 HA ALA 28 0.911 -0.227 -2.919 227 1HB ALA 28 1HB ALA 28 0.270 -2.669 -2.381 228 2HB ALA 28 2HB ALA 28 -0.871 -1.977 -1.202 229 3HB ALA 28 3HB ALA 28 -1.032 -1.585 -2.931 230 H ARG 29 H ARG 29 -1.003 1.209 -2.897 231 HA ARG 29 HA ARG 29 -0.997 2.701 -0.425 232 1HB ARG 29 1HB ARG 29 -1.762 4.572 -1.714 233 2HB ARG 29 2HB ARG 29 -0.598 3.767 -2.747 234 1HG ARG 29 1HG ARG 29 -2.736 2.439 -3.624 235 2HG ARG 29 2HG ARG 29 -3.617 3.800 -2.960 236 1HD ARG 29 1HD ARG 29 -1.564 5.071 -4.353 237 2HD ARG 29 2HD ARG 29 -1.874 3.673 -5.364 238 HE ARG 29 HE ARG 29 -4.417 4.553 -4.897 239 1HH1 ARG 29 2HH2 ARG 29 -1.507 6.266 -5.887 240 2HH1 ARG 29 1HH2 ARG 29 -2.369 7.479 -6.775 241 1HH2 ARG 29 2HH1 ARG 29 -5.554 6.152 -6.067 242 2HH2 ARG 29 1HH1 ARG 29 -4.688 7.413 -6.878 243 H ILE 30 H ILE 30 -3.144 3.591 0.382 244 HA ILE 30 HA ILE 30 -5.156 1.504 0.165 245 HB ILE 30 HB ILE 30 -4.110 2.855 2.291 246 1HG1 ILE 30 1HG1 ILE 30 -5.247 0.711 2.386 247 2HG1 ILE 30 2HG1 ILE 30 -5.900 1.801 3.592 248 1HG2 ILE 30 1HG2 ILE 30 -5.221 4.941 1.689 249 2HG2 ILE 30 2HG2 ILE 30 -6.799 4.119 1.686 250 3HG2 ILE 30 3HG2 ILE 30 -5.882 4.282 3.204 251 1HD1 ILE 30 1HD1 ILE 30 -7.939 1.261 2.739 252 2HD1 ILE 30 2HD1 ILE 30 -7.514 2.331 1.381 253 3HD1 ILE 30 3HD1 ILE 30 -7.227 0.579 1.258 254 H ASP 31 H ASP 31 -7.306 1.880 -0.498 255 HA ASP 31 HA ASP 31 -7.990 4.527 -1.332 256 1HB ASP 31 1HB ASP 31 -7.666 2.217 -3.296 257 2HB ASP 31 2HB ASP 31 -8.670 3.608 -3.657 258 H GLU 32 H GLU 32 -10.354 4.681 -1.699 259 HA GLU 32 HA GLU 32 -11.729 2.414 -0.531 260 1HB GLU 32 1HB GLU 32 -11.891 5.052 0.096 261 2HB GLU 32 2HB GLU 32 -13.170 4.980 -1.100 262 1HG GLU 32 1HG GLU 32 -14.543 3.724 0.247 263 2HG GLU 32 2HG GLU 32 -13.227 2.724 0.829 264 H MET 33 H MET 33 -13.763 1.618 -1.490 265 HA MET 33 HA MET 33 -13.509 1.427 -4.295 266 1HB MET 33 1HB MET 33 -14.837 0.059 -2.132 267 2HB MET 33 2HB MET 33 -16.089 0.507 -3.274 268 1HG MET 33 1HG MET 33 -13.535 -1.026 -3.966 269 2HG MET 33 2HG MET 33 -15.131 -1.734 -3.802 270 1HE MET 33 1HE MET 33 -15.958 -2.391 -6.661 271 2HE MET 33 2HE MET 33 -16.732 -1.866 -5.146 272 3HE MET 33 3HE MET 33 -17.084 -1.013 -6.669 273 HA PRO 34 HA PRO 34 -16.062 4.934 -5.033 274 1HB PRO 34 1HB PRO 34 -15.580 5.137 -7.715 275 2HB PRO 34 2HB PRO 34 -14.553 5.870 -6.498 276 1HG PRO 34 1HG PRO 34 -14.061 3.453 -8.126 277 2HG PRO 34 2HG PRO 34 -12.909 4.430 -7.238 278 1HD PRO 34 1HD PRO 34 -13.956 1.877 -6.456 279 2HD PRO 34 2HD PRO 34 -12.896 2.907 -5.516 280 H GLU 35 H GLU 35 -17.938 5.573 -6.448 281 HA GLU 35 HA GLU 35 -19.271 3.100 -7.231 282 1HB GLU 35 1HB GLU 35 -21.380 3.957 -6.340 283 2HB GLU 35 2HB GLU 35 -20.176 3.958 -5.070 284 1HG GLU 35 1HG GLU 35 -19.724 6.451 -5.889 285 2HG GLU 35 2HG GLU 35 -21.324 6.311 -6.593 286 H ALA 36 H ALA 36 -17.674 4.953 -8.864 287 HA ALA 36 HA ALA 36 -19.650 6.490 -10.327 288 1HB ALA 36 1HB ALA 36 -17.452 6.953 -11.703 289 2HB ALA 36 2HB ALA 36 -17.664 7.691 -10.098 290 3HB ALA 36 3HB ALA 36 -16.646 6.244 -10.283 291 H ALA 37 H ALA 37 -16.973 4.923 -12.009 292 HA ALA 37 HA ALA 37 -18.327 4.050 -14.141 293 1HB ALA 37 1HB ALA 37 -15.805 3.928 -13.498 294 2HB ALA 37 2HB ALA 37 -16.201 2.301 -12.892 295 3HB ALA 37 3HB ALA 37 -16.460 2.699 -14.606 296 H VAL 38 H VAL 38 -17.927 2.245 -11.027 297 HA VAL 38 HA VAL 38 -20.281 0.683 -11.811 298 HB VAL 38 HB VAL 38 -19.212 -1.284 -10.740 299 1HG1 VAL 38 1HG1 VAL 38 -17.302 -1.307 -12.701 300 2HG1 VAL 38 2HG1 VAL 38 -19.025 -1.671 -12.954 301 3HG1 VAL 38 3HG1 VAL 38 -18.402 -0.038 -13.289 302 1HG2 VAL 38 1HG2 VAL 38 -16.759 -1.298 -10.440 303 2HG2 VAL 38 2HG2 VAL 38 -16.716 0.447 -10.794 304 3HG2 VAL 38 3HG2 VAL 38 -17.563 -0.148 -9.345 305 H LYS 39 H LYS 39 -20.990 -0.616 -9.648 306 HA LYS 39 HA LYS 39 -21.524 1.484 -7.770 307 1HB LYS 39 1HB LYS 39 -23.125 0.011 -6.846 308 2HB LYS 39 2HB LYS 39 -23.202 -0.216 -8.582 309 1HG LYS 39 1HG LYS 39 -21.206 -2.023 -7.509 310 2HG LYS 39 2HG LYS 39 -22.670 -2.189 -6.561 311 1HD LYS 39 1HD LYS 39 -23.530 -3.471 -8.220 312 2HD LYS 39 2HD LYS 39 -23.580 -2.044 -9.237 313 1HE LYS 39 1HE LYS 39 -22.245 -3.430 -10.557 314 2HE LYS 39 2HE LYS 39 -21.001 -2.602 -9.640 315 1HZ LYS 39 1HZ LYS 39 -22.093 -5.274 -9.143 316 2HZ LYS 39 2HZ LYS 39 -20.548 -4.866 -9.484 317 3HZ LYS 39 3HZ LYS 39 -21.192 -4.486 -8.031 318 H SER 40 H SER 40 -20.891 1.568 -5.572 319 HA SER 40 HA SER 40 -18.366 0.281 -5.142 320 1HB SER 40 1HB SER 40 -18.550 2.639 -4.565 321 2HB SER 40 2HB SER 40 -19.954 2.343 -3.558 322 HG SER 40 HG SER 40 -18.010 0.726 -2.629 323 H THR 41 H THR 41 -17.889 -1.104 -3.304 324 HA THR 41 HA THR 41 -20.305 -2.307 -2.121 325 HB THR 41 HB THR 41 -18.696 -4.370 -2.020 326 HG1 THR 41 1HG THR 41 -16.810 -3.001 -2.561 327 1HG2 THR 41 1HG2 THR 41 -19.246 -3.416 -4.862 328 2HG2 THR 41 2HG2 THR 41 -19.265 -5.082 -4.237 329 3HG2 THR 41 3HG2 THR 41 -20.572 -3.953 -3.803 330 H ALA 42 H ALA 42 -20.422 -2.589 0.067 331 HA ALA 42 HA ALA 42 -18.392 -1.156 1.567 332 1HB ALA 42 1HB ALA 42 -20.045 -0.823 3.126 333 2HB ALA 42 2HB ALA 42 -21.081 -1.119 1.711 334 3HB ALA 42 3HB ALA 42 -20.762 -2.432 2.869 335 H ASN 43 H ASN 43 -17.938 -2.234 3.862 336 HA ASN 43 HA ASN 43 -16.926 -3.801 4.966 337 1HB ASN 43 1HB ASN 43 -18.247 -5.948 3.250 338 2HB ASN 43 2HB ASN 43 -17.790 -6.056 4.938 339 1HD2 ASN 43 1HD2 ASN 43 -20.167 -5.121 2.659 340 2HD2 ASN 43 2HD2 ASN 43 -21.395 -4.568 3.747 341 H LYS 44 H LYS 44 -15.479 -2.707 2.814 342 HA LYS 44 HA LYS 44 -13.508 -4.642 2.381 343 1HB LYS 44 1HB LYS 44 -13.702 -5.065 0.016 344 2HB LYS 44 2HB LYS 44 -15.171 -5.587 0.816 345 1HG LYS 44 1HG LYS 44 -16.138 -4.390 -0.912 346 2HG LYS 44 2HG LYS 44 -15.959 -3.078 0.236 347 1HD LYS 44 1HD LYS 44 -15.025 -2.186 -1.749 348 2HD LYS 44 2HD LYS 44 -13.616 -2.687 -0.838 349 1HE LYS 44 1HE LYS 44 -14.767 -4.816 -2.577 350 2HE LYS 44 2HE LYS 44 -14.146 -3.431 -3.450 351 1HZ LYS 44 1HZ LYS 44 -12.325 -4.772 -3.176 352 2HZ LYS 44 2HZ LYS 44 -12.134 -3.722 -1.940 353 3HZ LYS 44 3HZ LYS 44 -12.710 -5.223 -1.654 354 H TYR 45 H TYR 45 -11.615 -3.704 1.378 355 HA TYR 45 HA TYR 45 -11.874 -0.815 0.904 356 1HB TYR 45 1HB TYR 45 -10.704 -2.174 3.106 357 2HB TYR 45 2HB TYR 45 -9.331 -1.880 2.059 358 HD1 TYR 45 1HD TYR 45 -9.815 -0.714 4.852 359 HD2 TYR 45 2HD TYR 45 -10.635 0.793 0.932 360 HE1 TYR 45 1HE TYR 45 -9.656 1.668 5.726 361 HE2 TYR 45 2HE TYR 45 -10.473 3.170 1.819 362 HH TYR 45 HH TYR 45 -9.496 3.785 5.155 363 H GLN 46 H GLN 46 -10.853 -0.076 -0.916 364 HA GLN 46 HA GLN 46 -9.676 -2.050 -2.587 365 1HB GLN 46 1HB GLN 46 -11.085 -0.396 -3.633 366 2HB GLN 46 2HB GLN 46 -10.205 0.929 -2.898 367 1HG GLN 46 1HG GLN 46 -8.306 0.619 -4.305 368 2HG GLN 46 2HG GLN 46 -8.762 -1.020 -4.724 369 1HE2 GLN 46 1HE2 GLN 46 -9.081 2.322 -5.415 370 2HE2 GLN 46 2HE2 GLN 46 -10.109 2.220 -6.805 371 H VAL 47 H VAL 47 -7.494 -2.253 -3.213 372 HA VAL 47 HA VAL 47 -5.626 -0.416 -1.899 373 HB VAL 47 HB VAL 47 -5.790 -3.400 -1.740 374 1HG1 VAL 47 1HG1 VAL 47 -3.209 -1.824 -1.454 375 2HG1 VAL 47 2HG1 VAL 47 -3.429 -3.558 -1.126 376 3HG1 VAL 47 3HG1 VAL 47 -3.600 -2.939 -2.785 377 1HG2 VAL 47 1HG2 VAL 47 -6.523 -1.717 0.079 378 2HG2 VAL 47 2HG2 VAL 47 -5.493 -3.084 0.565 379 3HG2 VAL 47 3HG2 VAL 47 -4.781 -1.467 0.350 380 H PHE 48 H PHE 48 -4.011 0.320 -3.224 381 HA PHE 48 HA PHE 48 -3.977 -0.852 -5.910 382 1HB PHE 48 1HB PHE 48 -4.190 1.801 -4.823 383 2HB PHE 48 2HB PHE 48 -2.564 1.708 -5.472 384 HD1 PHE 48 1HD PHE 48 -4.900 3.448 -6.435 385 HD2 PHE 48 2HD PHE 48 -3.413 -0.313 -7.720 386 HE1 PHE 48 1HE PHE 48 -5.795 3.882 -8.741 387 HE2 PHE 48 2HE PHE 48 -4.307 0.121 -10.025 388 HZ PHE 48 HZ PHE 48 -5.487 2.213 -10.508 389 H PHE 49 H PHE 49 -2.324 -2.279 -6.181 390 HA PHE 49 HA PHE 49 0.013 -2.098 -4.544 391 1HB PHE 49 1HB PHE 49 -1.208 -3.843 -6.692 392 2HB PHE 49 2HB PHE 49 0.532 -3.949 -6.530 393 HD1 PHE 49 1HD PHE 49 0.975 -5.989 -5.528 394 HD2 PHE 49 2HD PHE 49 -2.108 -3.552 -3.924 395 HE1 PHE 49 1HE PHE 49 0.699 -7.594 -3.619 396 HE2 PHE 49 2HE PHE 49 -2.384 -5.157 -2.014 397 HZ PHE 49 HZ PHE 49 -0.976 -7.159 -1.885 398 H PHE 50 H PHE 50 1.867 -1.000 -4.985 399 HA PHE 50 HA PHE 50 2.056 0.370 -7.505 400 1HB PHE 50 1HB PHE 50 3.570 0.188 -4.857 401 2HB PHE 50 2HB PHE 50 4.334 0.994 -6.212 402 HD1 PHE 50 1HD PHE 50 2.488 2.653 -7.456 403 HD2 PHE 50 2HD PHE 50 2.622 1.626 -3.341 404 HE1 PHE 50 1HE PHE 50 1.260 4.769 -6.888 405 HE2 PHE 50 2HE PHE 50 1.396 3.740 -2.773 406 HZ PHE 50 HZ PHE 50 0.729 5.287 -4.553 407 H GLY 51 H GLY 51 2.985 -2.701 -6.285 408 1HA GLY 51 1HA GLY 51 5.513 -2.970 -7.580 409 2HA GLY 51 2HA GLY 51 4.505 -4.245 -6.921 410 H THR 52 H THR 52 2.208 -4.326 -8.302 411 HA THR 52 HA THR 52 3.120 -4.923 -11.006 412 HB THR 52 HB THR 52 1.135 -6.331 -11.067 413 HG1 THR 52 1HG THR 52 0.474 -5.146 -8.482 414 1HG2 THR 52 1HG2 THR 52 2.125 -7.797 -9.620 415 2HG2 THR 52 2HG2 THR 52 2.928 -6.460 -8.762 416 3HG2 THR 52 3HG2 THR 52 1.287 -6.962 -8.290 417 H HIS 53 H HIS 53 1.522 -2.413 -9.269 418 HA HIS 53 HA HIS 53 0.712 -0.492 -9.982 419 1HB HIS 53 1HB HIS 53 2.404 -0.878 -11.900 420 2HB HIS 53 2HB HIS 53 1.013 -1.325 -12.866 421 HD1 HIS 53 1HD HIS 53 -1.017 0.652 -12.755 422 HD2 HIS 53 2HD HIS 53 2.956 1.788 -12.034 423 HE1 HIS 53 1HE HIS 53 -0.916 3.175 -13.127 424 H GLU 54 H GLU 54 -0.921 -2.732 -9.293 425 HA GLU 54 HA GLU 54 -3.269 -1.982 -10.816 426 1HB GLU 54 1HB GLU 54 -2.324 -4.833 -10.321 427 2HB GLU 54 2HB GLU 54 -3.987 -4.456 -10.725 428 1HG GLU 54 1HG GLU 54 -2.273 -3.043 -12.577 429 2HG GLU 54 2HG GLU 54 -1.738 -4.710 -12.506 430 H THR 55 H THR 55 -5.323 -2.450 -9.626 431 HA THR 55 HA THR 55 -4.824 -2.378 -6.731 432 HB THR 55 HB THR 55 -5.992 -0.458 -8.089 433 HG1 THR 55 1HG THR 55 -7.160 -0.148 -6.136 434 1HG2 THR 55 1HG2 THR 55 -8.249 -2.515 -7.823 435 2HG2 THR 55 2HG2 THR 55 -8.475 -0.795 -8.222 436 3HG2 THR 55 3HG2 THR 55 -7.616 -1.865 -9.355 437 H ALA 56 H ALA 56 -5.866 -3.744 -5.300 438 HA ALA 56 HA ALA 56 -7.622 -5.753 -6.486 439 1HB ALA 56 1HB ALA 56 -6.355 -7.575 -5.704 440 2HB ALA 56 2HB ALA 56 -5.121 -6.471 -6.358 441 3HB ALA 56 3HB ALA 56 -5.397 -6.556 -4.601 442 H PHE 57 H PHE 57 -8.883 -6.932 -4.791 443 HA PHE 57 HA PHE 57 -9.760 -5.069 -2.828 444 1HB PHE 57 1HB PHE 57 -11.523 -6.667 -2.610 445 2HB PHE 57 2HB PHE 57 -10.977 -6.977 -4.247 446 HD1 PHE 57 1HD PHE 57 -9.142 -8.825 -4.501 447 HD2 PHE 57 2HD PHE 57 -11.656 -8.427 -1.106 448 HE1 PHE 57 1HE PHE 57 -8.716 -11.225 -3.903 449 HE2 PHE 57 2HE PHE 57 -11.230 -10.827 -0.509 450 HZ PHE 57 HZ PHE 57 -9.766 -12.198 -1.915 451 H LEU 58 H LEU 58 -9.112 -4.855 -0.734 452 HA LEU 58 HA LEU 58 -8.082 -7.156 0.661 453 1HB LEU 58 1HB LEU 58 -6.347 -4.796 -0.040 454 2HB LEU 58 2HB LEU 58 -6.022 -5.817 1.345 455 HG LEU 58 HG LEU 58 -6.272 -7.691 -0.638 456 1HD1 LEU 58 1HD1 LEU 58 -4.856 -5.337 -1.917 457 2HD1 LEU 58 2HD1 LEU 58 -5.103 -6.960 -2.606 458 3HD1 LEU 58 3HD1 LEU 58 -6.497 -5.885 -2.337 459 1HD2 LEU 58 1HD2 LEU 58 -3.617 -7.317 -0.697 460 2HD2 LEU 58 2HD2 LEU 58 -4.013 -6.329 0.729 461 3HD2 LEU 58 3HD2 LEU 58 -4.468 -8.049 0.682 462 H GLY 59 H GLY 59 -7.335 -6.235 3.007 463 1HA GLY 59 1HA GLY 59 -9.298 -4.170 3.786 464 2HA GLY 59 2HA GLY 59 -9.195 -5.700 4.634 465 HA PRO 60 HA PRO 60 -6.285 -2.918 6.705 466 1HB PRO 60 1HB PRO 60 -7.195 -3.287 9.256 467 2HB PRO 60 2HB PRO 60 -7.731 -1.974 8.228 468 1HG PRO 60 1HG PRO 60 -9.166 -4.449 8.972 469 2HG PRO 60 2HG PRO 60 -9.815 -2.959 8.315 470 1HD PRO 60 1HD PRO 60 -9.377 -5.412 6.895 471 2HD PRO 60 2HD PRO 60 -9.917 -3.889 6.215 472 H LYS 61 H LYS 61 -7.311 -6.158 7.413 473 HA LYS 61 HA LYS 61 -5.052 -6.795 8.977 474 1HB LYS 61 1HB LYS 61 -5.801 -9.114 8.676 475 2HB LYS 61 2HB LYS 61 -7.117 -8.054 9.144 476 1HG LYS 61 1HG LYS 61 -7.390 -7.835 6.460 477 2HG LYS 61 2HG LYS 61 -6.614 -9.404 6.502 478 1HD LYS 61 1HD LYS 61 -8.961 -8.843 8.339 479 2HD LYS 61 2HD LYS 61 -9.251 -9.240 6.656 480 1HE LYS 61 1HE LYS 61 -7.297 -11.054 7.949 481 2HE LYS 61 2HE LYS 61 -8.870 -11.085 8.720 482 1HZ LYS 61 1HZ LYS 61 -8.163 -12.298 6.375 483 2HZ LYS 61 2HZ LYS 61 -9.662 -12.205 7.017 484 3HZ LYS 61 3HZ LYS 61 -9.167 -11.088 5.934 485 H ASP 62 H ASP 62 -5.865 -7.164 5.475 486 HA ASP 62 HA ASP 62 -3.504 -8.487 4.848 487 1HB ASP 62 1HB ASP 62 -5.655 -7.014 3.365 488 2HB ASP 62 2HB ASP 62 -4.139 -7.223 2.508 489 H LEU 63 H LEU 63 -4.151 -5.259 5.834 490 HA LEU 63 HA LEU 63 -1.749 -4.258 4.474 491 1HB LEU 63 1HB LEU 63 -4.270 -2.940 5.428 492 2HB LEU 63 2HB LEU 63 -2.794 -2.010 5.262 493 HG LEU 63 HG LEU 63 -4.326 -3.452 3.092 494 1HD1 LEU 63 1HD1 LEU 63 -5.125 -1.456 2.495 495 2HD1 LEU 63 2HD1 LEU 63 -4.595 -0.902 4.101 496 3HD1 LEU 63 3HD1 LEU 63 -3.544 -0.660 2.685 497 1HD2 LEU 63 1HD2 LEU 63 -2.343 -3.886 2.142 498 2HD2 LEU 63 2HD2 LEU 63 -2.330 -2.148 1.762 499 3HD2 LEU 63 3HD2 LEU 63 -1.470 -2.752 3.200 500 H PHE 64 H PHE 64 0.053 -4.237 5.694 501 HA PHE 64 HA PHE 64 -0.327 -4.090 8.597 502 1HB PHE 64 1HB PHE 64 1.043 -5.882 6.926 503 2HB PHE 64 2HB PHE 64 2.326 -4.773 7.367 504 HD1 PHE 64 1HD PHE 64 3.558 -5.275 9.245 505 HD2 PHE 64 2HD PHE 64 -0.442 -6.671 9.014 506 HE1 PHE 64 1HE PHE 64 3.856 -6.487 11.423 507 HE2 PHE 64 2HE PHE 64 -0.144 -7.885 11.192 508 HZ PHE 64 HZ PHE 64 2.001 -7.778 12.370 509 HA PRO 65 HA PRO 65 1.733 -0.278 8.598 510 1HB PRO 65 1HB PRO 65 2.595 -0.154 11.190 511 2HB PRO 65 2HB PRO 65 0.953 0.224 10.707 512 1HG PRO 65 1HG PRO 65 1.975 -2.192 12.071 513 2HG PRO 65 2HG PRO 65 0.327 -1.607 11.963 514 1HD PRO 65 1HD PRO 65 1.481 -3.772 10.477 515 2HD PRO 65 2HD PRO 65 -0.133 -3.113 10.286 516 H TYR 66 H TYR 66 3.803 0.905 8.905 517 HA TYR 66 HA TYR 66 5.876 -0.857 7.972 518 1HB TYR 66 1HB TYR 66 5.707 1.341 6.962 519 2HB TYR 66 2HB TYR 66 5.380 2.111 8.501 520 HD1 TYR 66 1HD TYR 66 8.003 0.829 6.270 521 HD2 TYR 66 2HD TYR 66 7.199 2.717 10.024 522 HE1 TYR 66 1HE TYR 66 10.452 1.479 6.475 523 HE2 TYR 66 2HE TYR 66 9.651 3.360 10.218 524 HH TYR 66 HH TYR 66 11.951 2.489 7.648 525 H GLU 67 H GLU 67 5.100 1.051 10.923 526 HA GLU 67 HA GLU 67 7.524 0.895 12.152 527 1HB GLU 67 1HB GLU 67 4.677 1.006 13.169 528 2HB GLU 67 2HB GLU 67 5.993 0.849 14.315 529 1HG GLU 67 1HG GLU 67 6.096 3.129 14.208 530 2HG GLU 67 2HG GLU 67 6.967 2.865 12.709 531 H GLU 68 H GLU 68 4.760 -1.453 12.311 532 HA GLU 68 HA GLU 68 6.143 -3.218 13.987 533 1HB GLU 68 1HB GLU 68 3.773 -3.699 12.128 534 2HB GLU 68 2HB GLU 68 4.310 -4.820 13.363 535 1HG GLU 68 1HG GLU 68 4.000 -2.937 15.074 536 2HG GLU 68 2HG GLU 68 3.258 -1.989 13.802 537 H SER 69 H SER 69 5.915 -2.786 10.453 538 HA SER 69 HA SER 69 6.919 -5.276 9.751 539 1HB SER 69 1HB SER 69 6.892 -4.459 7.584 540 2HB SER 69 2HB SER 69 5.832 -3.289 8.344 541 HG SER 69 HG SER 69 8.039 -2.752 6.992 542 H LYS 70 H LYS 70 8.530 -2.042 10.161 543 HA LYS 70 HA LYS 70 11.117 -3.069 9.665 544 1HB LYS 70 1HB LYS 70 11.773 -0.909 9.783 545 2HB LYS 70 2HB LYS 70 10.053 -0.608 9.627 546 1HG LYS 70 1HG LYS 70 10.178 -0.909 12.329 547 2HG LYS 70 2HG LYS 70 11.816 -0.356 12.046 548 1HD LYS 70 1HD LYS 70 10.849 1.598 10.722 549 2HD LYS 70 2HD LYS 70 9.250 1.077 11.214 550 1HE LYS 70 1HE LYS 70 11.506 1.819 13.139 551 2HE LYS 70 2HE LYS 70 10.186 2.882 12.694 552 1HZ LYS 70 1HZ LYS 70 9.827 1.648 14.763 553 2HZ LYS 70 2HZ LYS 70 8.652 1.378 13.662 554 3HZ LYS 70 3HZ LYS 70 9.799 0.244 13.927 555 H GLU 71 H GLU 71 8.940 -3.380 12.296 556 HA GLU 71 HA GLU 71 10.875 -3.372 14.349 557 1HB GLU 71 1HB GLU 71 8.135 -3.248 14.275 558 2HB GLU 71 2HB GLU 71 8.356 -4.923 14.742 559 1HG GLU 71 1HG GLU 71 9.948 -4.116 16.574 560 2HG GLU 71 2HG GLU 71 9.493 -2.473 16.166 561 H LYS 72 H LYS 72 9.251 -5.900 12.347 562 HA LYS 72 HA LYS 72 11.084 -7.863 13.525 563 1HB LYS 72 1HB LYS 72 9.338 -9.415 12.245 564 2HB LYS 72 2HB LYS 72 9.069 -8.840 13.878 565 1HG LYS 72 1HG LYS 72 7.484 -7.239 13.211 566 2HG LYS 72 2HG LYS 72 8.151 -7.089 11.598 567 1HD LYS 72 1HD LYS 72 6.914 -9.720 12.462 568 2HD LYS 72 2HD LYS 72 5.874 -8.397 11.973 569 1HE LYS 72 1HE LYS 72 7.475 -8.261 9.862 570 2HE LYS 72 2HE LYS 72 7.933 -9.889 10.320 571 1HZ LYS 72 1HZ LYS 72 5.161 -9.020 9.884 572 2HZ LYS 72 2HZ LYS 72 6.068 -9.814 8.783 573 3HZ LYS 72 3HZ LYS 72 5.658 -10.547 10.182 574 H PHE 73 H PHE 73 9.410 -7.353 10.338 575 HA PHE 73 HA PHE 73 12.041 -7.630 9.087 576 1HB PHE 73 1HB PHE 73 9.516 -9.244 8.867 577 2HB PHE 73 2HB PHE 73 10.197 -8.785 7.319 578 HD1 PHE 73 1HD PHE 73 10.836 -10.655 10.426 579 HD2 PHE 73 2HD PHE 73 12.204 -9.794 6.503 580 HE1 PHE 73 1HE PHE 73 12.461 -12.563 10.575 581 HE2 PHE 73 2HE PHE 73 13.829 -11.702 6.651 582 HZ PHE 73 HZ PHE 73 13.938 -13.063 8.686 583 H GLY 74 H GLY 74 8.766 -7.460 7.608 584 1HA GLY 74 1HA GLY 74 7.734 -5.826 6.444 585 2HA GLY 74 2HA GLY 74 8.820 -4.651 7.158 586 H LYS 75 H LYS 75 10.702 -7.159 5.845 587 HA LYS 75 HA LYS 75 11.035 -5.626 3.359 588 1HB LYS 75 1HB LYS 75 13.162 -7.289 4.722 589 2HB LYS 75 2HB LYS 75 13.361 -6.145 3.411 590 1HG LYS 75 1HG LYS 75 13.033 -4.264 4.813 591 2HG LYS 75 2HG LYS 75 12.172 -5.190 6.027 592 1HD LYS 75 1HD LYS 75 14.210 -6.271 6.783 593 2HD LYS 75 2HD LYS 75 15.115 -5.678 5.405 594 1HE LYS 75 1HE LYS 75 13.907 -3.419 6.776 595 2HE LYS 75 2HE LYS 75 14.759 -4.406 7.948 596 1HZ LYS 75 1HZ LYS 75 16.408 -3.094 7.138 597 2HZ LYS 75 2HZ LYS 75 16.582 -4.378 6.144 598 3HZ LYS 75 3HZ LYS 75 15.818 -3.034 5.617 599 HA PRO 76 HA PRO 76 9.527 -9.541 1.919 600 1HB PRO 76 1HB PRO 76 8.301 -8.587 -0.329 601 2HB PRO 76 2HB PRO 76 7.488 -8.732 1.216 602 1HG PRO 76 1HG PRO 76 8.493 -6.298 -0.127 603 2HG PRO 76 2HG PRO 76 7.326 -6.433 1.176 604 1HD PRO 76 1HD PRO 76 10.073 -5.636 1.405 605 2HD PRO 76 2HD PRO 76 8.940 -5.883 2.719 606 H ASN 77 H ASN 77 9.663 -10.708 -0.303 607 HA ASN 77 HA ASN 77 12.276 -10.998 -0.846 608 1HB ASN 77 1HB ASN 77 9.935 -11.268 -2.808 609 2HB ASN 77 2HB ASN 77 11.520 -11.968 -3.066 610 1HD2 ASN 77 1HD2 ASN 77 8.630 -11.994 -1.092 611 2HD2 ASN 77 2HD2 ASN 77 8.830 -13.563 -0.385 612 H LYS 78 H LYS 78 13.796 -9.597 -1.741 613 HA LYS 78 HA LYS 78 12.958 -7.158 -2.929 614 1HB LYS 78 1HB LYS 78 14.943 -7.251 -1.545 615 2HB LYS 78 2HB LYS 78 15.679 -8.448 -2.591 616 1HG LYS 78 1HG LYS 78 16.668 -6.597 -3.537 617 2HG LYS 78 2HG LYS 78 15.176 -6.537 -4.455 618 1HD LYS 78 1HD LYS 78 14.426 -4.656 -3.373 619 2HD LYS 78 2HD LYS 78 14.991 -5.204 -1.808 620 1HE LYS 78 1HE LYS 78 17.371 -4.739 -3.237 621 2HE LYS 78 2HE LYS 78 16.321 -3.436 -3.758 622 1HZ LYS 78 1HZ LYS 78 17.307 -4.024 -1.098 623 2HZ LYS 78 2HZ LYS 78 17.164 -2.585 -1.857 624 3HZ LYS 78 3HZ LYS 78 15.844 -3.307 -1.222 625 H ARG 79 H ARG 79 11.555 -8.119 -4.634 626 HA ARG 79 HA ARG 79 13.005 -9.436 -6.730 627 1HB ARG 79 1HB ARG 79 10.074 -8.758 -6.256 628 2HB ARG 79 2HB ARG 79 10.613 -9.332 -7.822 629 1HG ARG 79 1HG ARG 79 11.458 -10.886 -5.376 630 2HG ARG 79 2HG ARG 79 9.796 -11.033 -5.911 631 1HD ARG 79 1HD ARG 79 10.417 -11.956 -8.018 632 2HD ARG 79 2HD ARG 79 12.054 -11.339 -7.917 633 HE ARG 79 HE ARG 79 11.633 -13.125 -5.722 634 1HH1 ARG 79 2HH2 ARG 79 11.947 -13.195 -9.226 635 2HH1 ARG 79 1HH2 ARG 79 12.574 -14.810 -9.265 636 1HH2 ARG 79 2HH1 ARG 79 12.461 -15.254 -5.773 637 2HH2 ARG 79 1HH1 ARG 79 12.868 -15.988 -7.287 638 H LYS 80 H LYS 80 11.838 -8.540 -9.074 639 HA LYS 80 HA LYS 80 13.175 -6.100 -9.500 640 1HB LYS 80 1HB LYS 80 12.690 -8.027 -11.138 641 2HB LYS 80 2HB LYS 80 11.100 -7.314 -11.329 642 1HG LYS 80 1HG LYS 80 11.975 -5.292 -12.243 643 2HG LYS 80 2HG LYS 80 13.582 -5.588 -11.609 644 1HD LYS 80 1HD LYS 80 13.947 -6.216 -13.812 645 2HD LYS 80 2HD LYS 80 13.434 -7.766 -13.174 646 1HE LYS 80 1HE LYS 80 11.549 -7.776 -14.452 647 2HE LYS 80 2HE LYS 80 11.114 -6.152 -13.957 648 1HZ LYS 80 1HZ LYS 80 13.344 -6.328 -15.758 649 2HZ LYS 80 2HZ LYS 80 11.907 -6.776 -16.392 650 3HZ LYS 80 3HZ LYS 80 12.090 -5.283 -15.752 651 H GLY 81 H GLY 81 9.629 -6.834 -9.846 652 1HA GLY 81 1HA GLY 81 8.819 -4.164 -9.891 653 2HA GLY 81 2HA GLY 81 7.820 -5.549 -9.498 654 H PHE 82 H PHE 82 10.104 -6.054 -7.284 655 HA PHE 82 HA PHE 82 8.580 -4.835 -5.209 656 1HB PHE 82 1HB PHE 82 9.576 -7.009 -4.809 657 2HB PHE 82 2HB PHE 82 11.102 -6.530 -5.524 658 HD1 PHE 82 1HD PHE 82 12.283 -4.497 -4.228 659 HD2 PHE 82 2HD PHE 82 9.499 -7.203 -2.516 660 HE1 PHE 82 1HE PHE 82 13.193 -3.990 -1.945 661 HE2 PHE 82 2HE PHE 82 10.409 -6.695 -0.234 662 HZ PHE 82 HZ PHE 82 12.245 -5.095 0.025 663 H SER 83 H SER 83 11.724 -4.236 -6.833 664 HA SER 83 HA SER 83 12.526 -2.317 -4.924 665 1HB SER 83 1HB SER 83 14.154 -3.576 -6.291 666 2HB SER 83 2HB SER 83 13.502 -2.875 -7.759 667 HG SER 83 HG SER 83 14.833 -1.461 -5.610 668 H GLU 84 H GLU 84 11.433 -2.111 -8.394 669 HA GLU 84 HA GLU 84 11.339 0.632 -8.481 670 1HB GLU 84 1HB GLU 84 10.365 0.355 -10.576 671 2HB GLU 84 2HB GLU 84 11.085 -1.226 -10.345 672 1HG GLU 84 1HG GLU 84 8.876 -2.051 -9.425 673 2HG GLU 84 2HG GLU 84 8.174 -0.485 -9.785 674 H GLY 85 H GLY 85 8.976 -1.770 -7.281 675 1HA GLY 85 1HA GLY 85 6.755 -0.027 -7.093 676 2HA GLY 85 2HA GLY 85 6.985 -1.549 -6.255 677 H LEU 86 H LEU 86 9.168 -1.199 -4.630 678 HA LEU 86 HA LEU 86 8.118 0.330 -2.544 679 1HB LEU 86 1HB LEU 86 9.416 -1.428 -1.865 680 2HB LEU 86 2HB LEU 86 10.647 -1.150 -3.082 681 HG LEU 86 HG LEU 86 11.231 -0.706 -0.621 682 1HD1 LEU 86 1HD1 LEU 86 12.802 0.991 -1.201 683 2HD1 LEU 86 2HD1 LEU 86 12.576 -0.041 -2.633 684 3HD1 LEU 86 3HD1 LEU 86 11.792 1.554 -2.554 685 1HD2 LEU 86 1HD2 LEU 86 10.481 2.056 -0.653 686 2HD2 LEU 86 2HD2 LEU 86 9.023 1.057 -0.861 687 3HD2 LEU 86 3HD2 LEU 86 10.088 0.797 0.540 688 H TRP 87 H TRP 87 10.270 1.097 -5.249 689 HA TRP 87 HA TRP 87 11.081 3.595 -4.037 690 1HB TRP 87 1HB TRP 87 12.130 1.861 -5.989 691 2HB TRP 87 2HB TRP 87 11.706 3.332 -6.842 692 HD1 TRP 87 HD TRP 87 13.122 5.567 -6.196 693 HE1 TRP 87 1HE TRP 87 15.409 6.025 -4.960 694 HE3 TRP 87 3HE TRP 87 13.507 0.958 -4.084 695 HZ2 TRP 87 2HZ TRP 87 17.084 4.443 -3.276 696 HZ3 TRP 87 3HZ TRP 87 15.500 0.496 -2.659 697 HH2 TRP 87 HH TRP 87 17.251 2.149 -2.242 698 H GLU 88 H GLU 88 8.548 2.237 -6.047 699 HA GLU 88 HA GLU 88 7.915 4.576 -7.446 700 1HB GLU 88 1HB GLU 88 6.604 1.929 -6.913 701 2HB GLU 88 2HB GLU 88 5.560 3.230 -7.454 702 1HG GLU 88 1HG GLU 88 8.065 3.102 -9.008 703 2HG GLU 88 2HG GLU 88 7.164 1.601 -9.089 704 H ILE 89 H ILE 89 7.244 3.398 -4.185 705 HA ILE 89 HA ILE 89 5.201 5.445 -3.814 706 HB ILE 89 HB ILE 89 4.423 3.485 -2.929 707 1HG1 ILE 89 1HG1 ILE 89 4.488 5.389 -1.259 708 2HG1 ILE 89 2HG1 ILE 89 4.256 3.781 -0.599 709 1HG2 ILE 89 1HG2 ILE 89 6.055 1.894 -3.127 710 2HG2 ILE 89 2HG2 ILE 89 7.289 2.890 -2.318 711 3HG2 ILE 89 3HG2 ILE 89 6.021 2.090 -1.358 712 1HD1 ILE 89 1HD1 ILE 89 6.058 4.106 0.730 713 2HD1 ILE 89 2HD1 ILE 89 7.081 4.175 -0.725 714 3HD1 ILE 89 3HD1 ILE 89 6.384 5.669 -0.054 715 H GLU 90 H GLU 90 8.454 4.406 -2.659 716 HA GLU 90 HA GLU 90 8.651 6.529 -0.829 717 1HB GLU 90 1HB GLU 90 10.481 4.428 -1.941 718 2HB GLU 90 2HB GLU 90 11.241 5.829 -1.213 719 1HG GLU 90 1HG GLU 90 9.038 4.265 0.201 720 2HG GLU 90 2HG GLU 90 10.730 3.833 0.352 721 H ASN 91 H ASN 91 9.513 6.048 -4.266 722 HA ASN 91 HA ASN 91 10.183 8.878 -4.331 723 1HB ASN 91 1HB ASN 91 11.564 6.820 -6.109 724 2HB ASN 91 2HB ASN 91 12.046 8.479 -5.821 725 1HD2 ASN 91 1HD2 ASN 91 11.309 5.516 -3.981 726 2HD2 ASN 91 2HD2 ASN 91 12.636 5.612 -2.871 727 H ASN 92 H ASN 92 7.777 8.841 -4.989 728 HA ASN 92 HA ASN 92 7.127 7.528 -7.409 729 1HB ASN 92 1HB ASN 92 4.982 8.950 -7.170 730 2HB ASN 92 2HB ASN 92 5.323 7.855 -5.844 731 1HD2 ASN 92 1HD2 ASN 92 3.659 9.872 -5.372 732 2HD2 ASN 92 2HD2 ASN 92 4.369 11.101 -4.379 733 HA PRO 93 HA PRO 93 8.222 10.851 -10.057 734 1HB PRO 93 1HB PRO 93 6.658 10.342 -12.241 735 2HB PRO 93 2HB PRO 93 8.159 9.500 -11.920 736 1HG PRO 93 1HG PRO 93 5.385 8.533 -11.595 737 2HG PRO 93 2HG PRO 93 6.868 7.602 -11.693 738 1HD PRO 93 1HD PRO 93 5.362 8.186 -9.323 739 2HD PRO 93 2HD PRO 93 6.903 7.356 -9.408 740 H THR 94 H THR 94 4.882 10.399 -9.269 741 HA THR 94 HA THR 94 4.534 13.299 -9.663 742 HB THR 94 HB THR 94 2.448 11.073 -9.931 743 HG1 THR 94 1HG THR 94 2.803 11.725 -12.250 744 1HG2 THR 94 1HG2 THR 94 2.457 14.029 -10.738 745 2HG2 THR 94 2HG2 THR 94 1.170 12.862 -11.125 746 3HG2 THR 94 3HG2 THR 94 1.475 13.320 -9.432 747 H VAL 95 H VAL 95 5.177 13.892 -7.581 748 HA VAL 95 HA VAL 95 3.633 12.684 -5.410 749 HB VAL 95 HB VAL 95 6.223 12.940 -5.509 750 1HG1 VAL 95 1HG1 VAL 95 5.784 15.569 -4.161 751 2HG1 VAL 95 2HG1 VAL 95 7.192 14.962 -5.065 752 3HG1 VAL 95 3HG1 VAL 95 5.752 15.538 -5.940 753 1HG2 VAL 95 1HG2 VAL 95 5.693 13.891 -2.885 754 2HG2 VAL 95 2HG2 VAL 95 4.289 12.916 -3.384 755 3HG2 VAL 95 3HG2 VAL 95 5.922 12.209 -3.425 756 H LYS 96 H LYS 96 3.551 14.710 -3.555 757 HA LYS 96 HA LYS 96 2.828 17.210 -4.547 758 1HB LYS 96 1HB LYS 96 0.324 17.015 -4.163 759 2HB LYS 96 2HB LYS 96 0.950 16.318 -5.645 760 1HG LYS 96 1HG LYS 96 0.051 14.322 -5.068 761 2HG LYS 96 2HG LYS 96 1.124 14.252 -3.684 762 1HD LYS 96 1HD LYS 96 -0.626 15.814 -2.507 763 2HD LYS 96 2HD LYS 96 -1.708 15.350 -3.804 764 1HE LYS 96 1HE LYS 96 -1.506 12.977 -3.214 765 2HE LYS 96 2HE LYS 96 -0.245 13.325 -2.049 766 1HZ LYS 96 1HZ LYS 96 -3.054 14.161 -1.895 767 2HZ LYS 96 2HZ LYS 96 -2.274 13.121 -0.905 768 3HZ LYS 96 3HZ LYS 96 -1.900 14.709 -0.876 769 H ALA 97 H ALA 97 2.228 14.624 -2.113 770 HA ALA 97 HA ALA 97 1.879 16.570 -0.022 771 1HB ALA 97 1HB ALA 97 2.088 14.240 1.288 772 2HB ALA 97 2HB ALA 97 0.603 14.706 0.425 773 3HB ALA 97 3HB ALA 97 1.763 13.593 -0.338 774 H SER 98 H SER 98 3.900 17.760 -0.238 775 HA SER 98 HA SER 98 6.374 16.691 -0.292 776 1HB SER 98 1HB SER 98 5.634 19.121 1.390 777 2HB SER 98 2HB SER 98 7.167 18.808 0.603 778 HG SER 98 HG SER 98 5.115 20.161 -0.403 779 H GLY 99 H GLY 99 7.944 16.029 1.291 780 1HA GLY 99 1HA GLY 99 7.736 16.150 4.024 781 2HA GLY 99 2HA GLY 99 6.839 14.713 3.576 782 H TYR 100 H TYR 100 10.020 16.236 3.768 783 HA TYR 100 HA TYR 100 11.216 13.605 3.344 784 1HB TYR 100 1HB TYR 100 12.115 14.387 1.350 785 2HB TYR 100 2HB TYR 100 11.243 15.893 1.556 786 HD1 TYR 100 1HD TYR 100 14.259 14.273 3.120 787 HD2 TYR 100 2HD TYR 100 12.554 17.787 1.375 788 HE1 TYR 100 1HE TYR 100 16.457 15.509 3.443 789 HE2 TYR 100 2HE TYR 100 14.758 19.011 1.704 790 HH TYR 100 HH TYR 100 17.595 17.495 2.261 Start of MODEL 17 1 H MET 1 H MET 1 -13.618 21.200 19.608 2 HA MET 1 HA MET 1 -12.393 19.109 21.238 3 1HB MET 1 1HB MET 1 -14.859 20.768 21.514 4 2HB MET 1 2HB MET 1 -15.145 19.060 21.778 5 1HG MET 1 1HG MET 1 -13.933 19.020 23.738 6 2HG MET 1 2HG MET 1 -12.700 20.105 23.125 7 1HE MET 1 1HE MET 1 -15.650 21.048 26.155 8 2HE MET 1 2HE MET 1 -15.129 19.485 25.483 9 3HE MET 1 3HE MET 1 -13.940 20.566 26.250 10 H SER 2 H SER 2 -12.348 17.129 20.274 11 HA SER 2 HA SER 2 -14.645 16.208 18.894 12 1HB SER 2 1HB SER 2 -12.509 17.435 17.365 13 2HB SER 2 2HB SER 2 -12.559 15.724 16.991 14 HG SER 2 HG SER 2 -14.964 17.317 17.023 15 H ARG 3 H ARG 3 -14.384 13.853 18.286 16 HA ARG 3 HA ARG 3 -13.467 12.349 20.231 17 1HB ARG 3 1HB ARG 3 -13.361 10.461 18.617 18 2HB ARG 3 2HB ARG 3 -14.736 11.490 18.271 19 1HG ARG 3 1HG ARG 3 -12.134 12.114 16.881 20 2HG ARG 3 2HG ARG 3 -13.028 10.706 16.341 21 1HD ARG 3 1HD ARG 3 -14.992 12.734 16.607 22 2HD ARG 3 2HD ARG 3 -13.611 13.551 15.901 23 HE ARG 3 HE ARG 3 -14.071 11.016 14.581 24 1HH1 ARG 3 2HH2 ARG 3 -15.288 14.312 14.781 25 2HH1 ARG 3 1HH2 ARG 3 -15.952 14.301 13.182 26 1HH2 ARG 3 2HH1 ARG 3 -14.948 11.001 12.470 27 2HH2 ARG 3 1HH1 ARG 3 -15.759 12.404 11.858 28 H SER 4 H SER 4 -11.535 10.879 20.494 29 HA SER 4 HA SER 4 -9.161 12.328 19.685 30 1HB SER 4 1HB SER 4 -8.024 11.082 21.472 31 2HB SER 4 2HB SER 4 -9.467 11.853 22.098 32 HG SER 4 HG SER 4 -10.498 9.909 22.293 33 H ASN 5 H ASN 5 -8.118 11.602 17.869 34 HA ASN 5 HA ASN 5 -8.323 8.742 17.335 35 1HB ASN 5 1HB ASN 5 -7.930 9.366 14.923 36 2HB ASN 5 2HB ASN 5 -9.399 10.075 15.562 37 1HD2 ASN 5 1HD2 ASN 5 -6.013 10.657 14.802 38 2HD2 ASN 5 2HD2 ASN 5 -6.106 12.374 14.599 39 H ARG 6 H ARG 6 -6.339 7.622 17.128 40 HA ARG 6 HA ARG 6 -4.061 8.772 18.106 41 1HB ARG 6 1HB ARG 6 -2.961 6.701 16.843 42 2HB ARG 6 2HB ARG 6 -4.042 6.429 18.195 43 1HG ARG 6 1HG ARG 6 -5.371 6.668 15.526 44 2HG ARG 6 2HG ARG 6 -4.349 5.260 15.731 45 1HD ARG 6 1HD ARG 6 -5.719 4.319 17.355 46 2HD ARG 6 2HD ARG 6 -6.189 5.871 18.017 47 HE ARG 6 HE ARG 6 -8.033 5.876 16.589 48 1HH1 ARG 6 2HH2 ARG 6 -5.613 3.673 15.296 49 2HH1 ARG 6 1HH2 ARG 6 -6.627 3.106 14.012 50 1HH2 ARG 6 2HH1 ARG 6 -9.373 5.130 14.894 51 2HH2 ARG 6 1HH1 ARG 6 -8.781 3.942 13.782 52 H GLN 7 H GLN 7 -1.867 8.257 16.504 53 HA GLN 7 HA GLN 7 -2.386 9.962 14.192 54 1HB GLN 7 1HB GLN 7 0.157 10.520 14.503 55 2HB GLN 7 2HB GLN 7 -1.017 11.289 15.554 56 1HG GLN 7 1HG GLN 7 0.478 8.725 16.277 57 2HG GLN 7 2HG GLN 7 1.010 10.325 16.755 58 1HE2 GLN 7 1HE2 GLN 7 -0.675 7.663 17.682 59 2HE2 GLN 7 2HE2 GLN 7 -1.687 8.317 18.928 60 H LYS 8 H LYS 8 -0.493 7.207 15.543 61 HA LYS 8 HA LYS 8 0.853 6.573 13.174 62 1HB LYS 8 1HB LYS 8 1.727 4.856 14.368 63 2HB LYS 8 2HB LYS 8 1.098 5.790 15.711 64 1HG LYS 8 1HG LYS 8 -0.250 3.410 14.354 65 2HG LYS 8 2HG LYS 8 0.407 3.456 15.979 66 1HD LYS 8 1HD LYS 8 -1.512 5.631 15.607 67 2HD LYS 8 2HD LYS 8 -2.246 4.099 15.176 68 1HE LYS 8 1HE LYS 8 -0.677 4.439 17.765 69 2HE LYS 8 2HE LYS 8 -2.382 4.834 17.668 70 1HZ LYS 8 1HZ LYS 8 -1.871 2.317 16.519 71 2HZ LYS 8 2HZ LYS 8 -1.304 2.363 18.049 72 3HZ LYS 8 3HZ LYS 8 -2.873 2.702 17.749 73 H GLU 9 H GLU 9 -2.471 6.527 13.905 74 HA GLU 9 HA GLU 9 -3.339 4.202 12.774 75 1HB GLU 9 1HB GLU 9 -5.453 5.529 12.263 76 2HB GLU 9 2HB GLU 9 -4.899 5.617 13.923 77 1HG GLU 9 1HG GLU 9 -5.473 7.870 13.225 78 2HG GLU 9 2HG GLU 9 -3.729 7.792 13.376 79 H TYR 10 H TYR 10 -4.995 4.706 10.587 80 HA TYR 10 HA TYR 10 -3.333 5.893 8.519 81 1HB TYR 10 1HB TYR 10 -3.501 3.729 7.225 82 2HB TYR 10 2HB TYR 10 -2.647 3.478 8.735 83 HD1 TYR 10 1HD TYR 10 -5.224 2.275 6.655 84 HD2 TYR 10 2HD TYR 10 -4.179 2.731 10.778 85 HE1 TYR 10 1HE TYR 10 -6.863 0.435 7.281 86 HE2 TYR 10 2HE TYR 10 -5.822 0.889 11.391 87 HH TYR 10 HH TYR 10 -8.017 -0.431 9.016 88 H LYS 11 H LYS 11 -4.524 6.637 6.743 89 HA LYS 11 HA LYS 11 -7.342 5.911 6.655 90 1HB LYS 11 1HB LYS 11 -6.267 8.574 7.410 91 2HB LYS 11 2HB LYS 11 -7.563 8.579 6.231 92 1HG LYS 11 1HG LYS 11 -8.483 6.718 8.084 93 2HG LYS 11 2HG LYS 11 -7.633 7.855 9.110 94 1HD LYS 11 1HD LYS 11 -9.839 8.735 8.981 95 2HD LYS 11 2HD LYS 11 -8.922 9.725 7.862 96 1HE LYS 11 1HE LYS 11 -10.788 9.187 6.551 97 2HE LYS 11 2HE LYS 11 -9.666 7.934 6.058 98 1HZ LYS 11 1HZ LYS 11 -10.911 6.947 8.268 99 2HZ LYS 11 2HZ LYS 11 -12.110 7.670 7.426 100 3HZ LYS 11 3HZ LYS 11 -11.197 6.515 6.718 101 H CYS 12 H CYS 12 -8.274 7.312 4.591 102 HA CYS 12 HA CYS 12 -7.217 6.134 2.394 103 1HB CYS 12 1HB CYS 12 -8.487 7.743 1.062 104 2HB CYS 12 2HB CYS 12 -9.425 7.195 2.437 105 HG CYS 12 HG CYS 12 -9.779 9.285 3.504 106 H GLY 13 H GLY 13 -5.692 6.764 0.759 107 1HA GLY 13 1HA GLY 13 -4.032 7.992 -0.198 108 2HA GLY 13 2HA GLY 13 -4.294 9.277 0.965 109 H ASP 14 H ASP 14 -4.140 6.473 2.796 110 HA ASP 14 HA ASP 14 -1.554 7.152 3.710 111 1HB ASP 14 1HB ASP 14 -3.200 6.371 5.311 112 2HB ASP 14 2HB ASP 14 -3.526 4.927 4.374 113 H LEU 15 H LEU 15 0.320 5.626 3.740 114 HA LEU 15 HA LEU 15 0.163 3.655 1.564 115 1HB LEU 15 1HB LEU 15 1.742 5.936 1.716 116 2HB LEU 15 2HB LEU 15 2.826 4.644 2.189 117 HG LEU 15 HG LEU 15 3.177 4.688 -0.072 118 1HD1 LEU 15 1HD1 LEU 15 1.707 2.514 0.869 119 2HD1 LEU 15 2HD1 LEU 15 0.957 2.920 -0.694 120 3HD1 LEU 15 3HD1 LEU 15 2.702 2.582 -0.605 121 1HD2 LEU 15 1HD2 LEU 15 0.353 4.912 -0.980 122 2HD2 LEU 15 2HD2 LEU 15 1.086 6.350 -0.230 123 3HD2 LEU 15 3HD2 LEU 15 1.845 5.608 -1.658 124 H VAL 16 H VAL 16 0.570 1.569 2.106 125 HA VAL 16 HA VAL 16 2.217 1.045 4.435 126 HB VAL 16 HB VAL 16 0.321 -0.672 5.064 127 1HG1 VAL 16 1HG1 VAL 16 -0.510 0.917 6.734 128 2HG1 VAL 16 2HG1 VAL 16 1.253 1.067 6.539 129 3HG1 VAL 16 3HG1 VAL 16 0.171 2.272 5.802 130 1HG2 VAL 16 1HG2 VAL 16 -1.496 1.561 4.237 131 2HG2 VAL 16 2HG2 VAL 16 -1.019 0.356 3.017 132 3HG2 VAL 16 3HG2 VAL 16 -1.849 -0.163 4.505 133 H PHE 17 H PHE 17 2.288 -1.566 4.635 134 HA PHE 17 HA PHE 17 3.026 -2.408 1.956 135 1HB PHE 17 1HB PHE 17 3.813 -2.844 4.765 136 2HB PHE 17 2HB PHE 17 3.546 -4.387 3.981 137 HD1 PHE 17 1HD PHE 17 4.573 -4.228 1.372 138 HD2 PHE 17 2HD PHE 17 6.036 -2.281 4.846 139 HE1 PHE 17 1HE PHE 17 6.856 -4.097 0.338 140 HE2 PHE 17 2HE PHE 17 8.319 -2.150 3.812 141 HZ PHE 17 HZ PHE 17 8.702 -3.060 1.570 142 H ALA 18 H ALA 18 1.451 -3.388 0.767 143 HA ALA 18 HA ALA 18 -0.581 -4.922 2.181 144 1HB ALA 18 1HB ALA 18 -1.030 -3.143 0.366 145 2HB ALA 18 2HB ALA 18 -0.427 -4.353 -0.793 146 3HB ALA 18 3HB ALA 18 -1.861 -4.708 0.200 147 H LYS 19 H LYS 19 -0.643 -7.131 2.198 148 HA LYS 19 HA LYS 19 1.336 -8.475 0.490 149 1HB LYS 19 1HB LYS 19 1.529 -8.405 3.134 150 2HB LYS 19 2HB LYS 19 0.346 -9.694 3.043 151 1HG LYS 19 1HG LYS 19 1.807 -11.162 1.959 152 2HG LYS 19 2HG LYS 19 2.713 -9.873 1.192 153 1HD LYS 19 1HD LYS 19 3.901 -9.351 3.223 154 2HD LYS 19 2HD LYS 19 2.792 -10.285 4.207 155 1HE LYS 19 1HE LYS 19 3.918 -12.003 2.144 156 2HE LYS 19 2HE LYS 19 5.219 -11.179 2.980 157 1HZ LYS 19 1HZ LYS 19 3.043 -12.521 4.416 158 2HZ LYS 19 2HZ LYS 19 4.425 -13.286 3.999 159 3HZ LYS 19 3HZ LYS 19 4.474 -12.013 5.020 160 H MET 20 H MET 20 0.682 -10.289 -0.688 161 HA MET 20 HA MET 20 -2.150 -10.934 -0.436 162 1HB MET 20 1HB MET 20 -1.595 -9.407 -2.431 163 2HB MET 20 2HB MET 20 -0.581 -10.691 -3.062 164 1HG MET 20 1HG MET 20 -2.377 -11.910 -3.802 165 2HG MET 20 2HG MET 20 -3.287 -11.642 -2.330 166 1HE MET 20 1HE MET 20 -4.093 -10.138 -6.261 167 2HE MET 20 2HE MET 20 -2.452 -9.530 -5.935 168 3HE MET 20 3HE MET 20 -2.825 -11.255 -5.701 169 H LYS 21 H LYS 21 -2.730 -13.128 -1.183 170 HA LYS 21 HA LYS 21 -0.943 -15.051 -0.309 171 1HB LYS 21 1HB LYS 21 -3.589 -14.985 -0.881 172 2HB LYS 21 2HB LYS 21 -3.011 -15.862 -2.283 173 1HG LYS 21 1HG LYS 21 -2.966 -17.726 -0.992 174 2HG LYS 21 2HG LYS 21 -1.595 -17.030 -0.151 175 1HD LYS 21 1HD LYS 21 -3.247 -17.594 1.527 176 2HD LYS 21 2HD LYS 21 -3.214 -15.847 1.403 177 1HE LYS 21 1HE LYS 21 -5.233 -15.836 0.015 178 2HE LYS 21 2HE LYS 21 -5.210 -17.584 -0.121 179 1HZ LYS 21 1HZ LYS 21 -6.520 -17.507 1.644 180 2HZ LYS 21 2HZ LYS 21 -5.187 -17.185 2.530 181 3HZ LYS 21 3HZ LYS 21 -6.145 -15.964 2.021 182 H GLY 22 H GLY 22 0.829 -15.983 -1.188 183 1HA GLY 22 1HA GLY 22 2.096 -16.925 -2.855 184 2HA GLY 22 2HA GLY 22 1.035 -16.249 -4.074 185 H TYR 23 H TYR 23 1.212 -13.532 -2.523 186 HA TYR 23 HA TYR 23 3.825 -12.780 -3.649 187 1HB TYR 23 1HB TYR 23 1.313 -11.973 -4.392 188 2HB TYR 23 2HB TYR 23 1.520 -10.888 -3.032 189 HD1 TYR 23 1HD TYR 23 2.119 -8.746 -3.664 190 HD2 TYR 23 2HD TYR 23 3.711 -12.054 -5.860 191 HE1 TYR 23 1HE TYR 23 3.419 -7.144 -5.150 192 HE2 TYR 23 2HE TYR 23 5.006 -10.440 -7.337 193 HH TYR 23 HH TYR 23 5.784 -8.316 -7.428 194 HA PRO 24 HA PRO 24 4.838 -11.615 0.413 195 1HB PRO 24 1HB PRO 24 7.249 -10.431 -0.094 196 2HB PRO 24 2HB PRO 24 7.051 -12.162 0.090 197 1HG PRO 24 1HG PRO 24 7.469 -10.597 -2.383 198 2HG PRO 24 2HG PRO 24 7.692 -12.315 -2.120 199 1HD PRO 24 1HD PRO 24 5.495 -11.057 -3.468 200 2HD PRO 24 2HD PRO 24 5.663 -12.762 -3.105 201 H HIS 25 H HIS 25 5.523 -9.674 1.763 202 HA HIS 25 HA HIS 25 3.663 -7.743 1.481 203 1HB HIS 25 1HB HIS 25 6.008 -8.194 3.053 204 2HB HIS 25 2HB HIS 25 6.023 -6.518 2.542 205 HD1 HIS 25 1HD HIS 25 5.538 -7.389 5.521 206 HD2 HIS 25 2HD HIS 25 2.519 -6.465 2.759 207 HE1 HIS 25 1HE HIS 25 3.496 -6.716 6.894 208 H TRP 26 H TRP 26 3.246 -6.112 0.072 209 HA TRP 26 HA TRP 26 5.511 -5.122 -1.516 210 1HB TRP 26 1HB TRP 26 3.477 -6.721 -2.513 211 2HB TRP 26 2HB TRP 26 2.951 -5.099 -2.915 212 HD1 TRP 26 HD TRP 26 4.535 -3.709 -4.670 213 HE1 TRP 26 1HE TRP 26 6.338 -4.405 -6.467 214 HE3 TRP 26 3HE TRP 26 5.271 -8.410 -2.879 215 HZ2 TRP 26 2HZ TRP 26 7.835 -6.789 -6.927 216 HZ3 TRP 26 3HZ TRP 26 6.922 -9.858 -4.061 217 HH2 TRP 26 HH TRP 26 8.182 -9.116 -6.018 218 HA PRO 27 HA PRO 27 3.915 -1.322 -0.133 219 1HB PRO 27 1HB PRO 27 5.202 0.394 -1.828 220 2HB PRO 27 2HB PRO 27 5.956 -0.289 -0.401 221 1HG PRO 27 1HG PRO 27 6.371 -1.004 -3.239 222 2HG PRO 27 2HG PRO 27 7.392 -1.356 -1.858 223 1HD PRO 27 1HD PRO 27 5.632 -3.181 -3.200 224 2HD PRO 27 2HD PRO 27 6.565 -3.498 -1.750 225 H ALA 28 H ALA 28 1.781 -1.002 -0.293 226 HA ALA 28 HA ALA 28 0.937 -0.080 -2.948 227 1HB ALA 28 1HB ALA 28 -1.048 -1.417 -2.822 228 2HB ALA 28 2HB ALA 28 0.312 -2.500 -2.443 229 3HB ALA 28 3HB ALA 28 -0.716 -1.871 -1.133 230 H ARG 29 H ARG 29 -1.133 1.225 -2.820 231 HA ARG 29 HA ARG 29 -0.997 2.790 -0.385 232 1HB ARG 29 1HB ARG 29 -0.673 3.917 -2.637 233 2HB ARG 29 2HB ARG 29 -2.316 3.479 -3.059 234 1HG ARG 29 1HG ARG 29 -3.254 4.887 -1.354 235 2HG ARG 29 2HG ARG 29 -1.721 5.046 -0.521 236 1HD ARG 29 1HD ARG 29 -1.010 6.747 -1.886 237 2HD ARG 29 2HD ARG 29 -1.601 5.963 -3.338 238 HE ARG 29 HE ARG 29 -3.855 6.845 -1.810 239 1HH1 ARG 29 2HH2 ARG 29 -1.202 8.164 -3.710 240 2HH1 ARG 29 1HH2 ARG 29 -2.066 9.596 -4.158 241 1HH2 ARG 29 2HH1 ARG 29 -4.996 8.736 -2.401 242 2HH2 ARG 29 1HH1 ARG 29 -4.237 9.924 -3.410 243 H ILE 30 H ILE 30 -3.077 3.571 0.586 244 HA ILE 30 HA ILE 30 -5.036 1.460 0.529 245 HB ILE 30 HB ILE 30 -4.019 3.023 2.492 246 1HG1 ILE 30 1HG1 ILE 30 -5.425 0.844 2.490 247 2HG1 ILE 30 2HG1 ILE 30 -5.433 1.871 3.910 248 1HG2 ILE 30 1HG2 ILE 30 -6.658 4.265 1.680 249 2HG2 ILE 30 2HG2 ILE 30 -5.906 4.470 3.279 250 3HG2 ILE 30 3HG2 ILE 30 -5.073 5.061 1.821 251 1HD1 ILE 30 1HD1 ILE 30 -7.626 2.530 3.601 252 2HD1 ILE 30 2HD1 ILE 30 -7.502 2.482 1.826 253 3HD1 ILE 30 3HD1 ILE 30 -7.708 0.972 2.747 254 H ASP 31 H ASP 31 -7.291 1.747 0.042 255 HA ASP 31 HA ASP 31 -8.078 4.224 -1.120 256 1HB ASP 31 1HB ASP 31 -7.519 1.759 -2.775 257 2HB ASP 31 2HB ASP 31 -8.892 2.753 -3.220 258 H GLU 32 H GLU 32 -10.476 4.220 -1.496 259 HA GLU 32 HA GLU 32 -11.727 1.964 -0.134 260 1HB GLU 32 1HB GLU 32 -11.770 4.414 0.854 261 2HB GLU 32 2HB GLU 32 -13.007 4.698 -0.355 262 1HG GLU 32 1HG GLU 32 -14.336 2.785 0.537 263 2HG GLU 32 2HG GLU 32 -13.091 2.464 1.727 264 H MET 33 H MET 33 -13.934 1.359 -0.900 265 HA MET 33 HA MET 33 -13.959 1.289 -3.719 266 1HB MET 33 1HB MET 33 -15.555 0.196 -1.422 267 2HB MET 33 2HB MET 33 -16.443 0.354 -2.923 268 1HG MET 33 1HG MET 33 -15.477 -1.556 -3.679 269 2HG MET 33 2HG MET 33 -13.910 -0.774 -3.624 270 1HE MET 33 1HE MET 33 -12.452 -1.528 -0.274 271 2HE MET 33 2HE MET 33 -12.777 -0.258 -1.480 272 3HE MET 33 3HE MET 33 -13.809 -0.401 -0.035 273 HA PRO 34 HA PRO 34 -16.309 4.967 -4.158 274 1HB PRO 34 1HB PRO 34 -16.245 5.097 -6.887 275 2HB PRO 34 2HB PRO 34 -14.970 5.733 -5.868 276 1HG PRO 34 1HG PRO 34 -14.985 3.264 -7.493 277 2HG PRO 34 2HG PRO 34 -13.616 4.129 -6.823 278 1HD PRO 34 1HD PRO 34 -14.769 1.700 -5.822 279 2HD PRO 34 2HD PRO 34 -13.475 2.627 -5.088 280 H GLU 35 H GLU 35 -18.249 5.760 -5.576 281 HA GLU 35 HA GLU 35 -20.178 3.692 -5.145 282 1HB GLU 35 1HB GLU 35 -21.831 5.463 -5.677 283 2HB GLU 35 2HB GLU 35 -20.688 5.998 -4.460 284 1HG GLU 35 1HG GLU 35 -19.386 7.231 -6.160 285 2HG GLU 35 2HG GLU 35 -20.410 6.609 -7.441 286 H ALA 36 H ALA 36 -18.454 2.779 -7.085 287 HA ALA 36 HA ALA 36 -20.001 3.152 -9.559 288 1HB ALA 36 1HB ALA 36 -18.032 3.074 -10.796 289 2HB ALA 36 2HB ALA 36 -17.485 3.932 -9.337 290 3HB ALA 36 3HB ALA 36 -17.146 2.195 -9.527 291 H ALA 37 H ALA 37 -17.901 0.837 -7.702 292 HA ALA 37 HA ALA 37 -19.116 -1.383 -9.079 293 1HB ALA 37 1HB ALA 37 -16.776 -0.846 -7.377 294 2HB ALA 37 2HB ALA 37 -17.587 -2.381 -6.986 295 3HB ALA 37 3HB ALA 37 -17.009 -2.077 -8.642 296 H VAL 38 H VAL 38 -19.465 0.433 -6.056 297 HA VAL 38 HA VAL 38 -21.774 -1.231 -5.437 298 HB VAL 38 HB VAL 38 -21.122 -1.349 -3.079 299 1HG1 VAL 38 1HG1 VAL 38 -19.646 -3.190 -3.279 300 2HG1 VAL 38 2HG1 VAL 38 -20.565 -3.151 -4.802 301 3HG1 VAL 38 3HG1 VAL 38 -18.896 -2.533 -4.753 302 1HG2 VAL 38 1HG2 VAL 38 -18.529 -0.106 -4.049 303 2HG2 VAL 38 2HG2 VAL 38 -19.673 0.556 -2.856 304 3HG2 VAL 38 3HG2 VAL 38 -18.727 -0.901 -2.468 305 H LYS 39 H LYS 39 -22.876 -0.070 -3.348 306 HA LYS 39 HA LYS 39 -23.878 2.300 -4.242 307 1HB LYS 39 1HB LYS 39 -24.414 2.628 -1.705 308 2HB LYS 39 2HB LYS 39 -25.140 1.308 -2.598 309 1HG LYS 39 1HG LYS 39 -22.533 0.504 -1.543 310 2HG LYS 39 2HG LYS 39 -23.544 1.121 -0.253 311 1HD LYS 39 1HD LYS 39 -25.407 -0.413 -1.067 312 2HD LYS 39 2HD LYS 39 -24.276 -1.101 -2.215 313 1HE LYS 39 1HE LYS 39 -23.067 -1.047 0.441 314 2HE LYS 39 2HE LYS 39 -24.632 -1.830 0.522 315 1HZ LYS 39 1HZ LYS 39 -22.396 -3.015 -0.291 316 2HZ LYS 39 2HZ LYS 39 -23.896 -3.533 -0.678 317 3HZ LYS 39 3HZ LYS 39 -23.053 -2.610 -1.730 318 H SER 40 H SER 40 -21.812 2.263 -1.273 319 HA SER 40 HA SER 40 -20.183 4.319 -2.469 320 1HB SER 40 1HB SER 40 -20.761 6.042 -1.060 321 2HB SER 40 2HB SER 40 -22.298 5.201 -1.053 322 HG SER 40 HG SER 40 -22.048 5.025 1.059 323 H THR 41 H THR 41 -20.937 2.798 0.760 324 HA THR 41 HA THR 41 -18.056 2.302 1.067 325 HB THR 41 HB THR 41 -18.889 1.976 3.532 326 HG1 THR 41 1HG THR 41 -21.168 1.843 2.703 327 1HG2 THR 41 1HG2 THR 41 -19.365 4.542 3.762 328 2HG2 THR 41 2HG2 THR 41 -17.765 4.059 3.154 329 3HG2 THR 41 3HG2 THR 41 -19.015 4.619 2.019 330 H ALA 42 H ALA 42 -17.229 0.298 1.018 331 HA ALA 42 HA ALA 42 -19.183 -1.878 0.801 332 1HB ALA 42 1HB ALA 42 -16.347 -2.381 0.120 333 2HB ALA 42 2HB ALA 42 -17.828 -2.776 -0.782 334 3HB ALA 42 3HB ALA 42 -17.137 -1.139 -0.879 335 H ASN 43 H ASN 43 -17.985 -4.087 1.565 336 HA ASN 43 HA ASN 43 -17.519 -3.601 4.345 337 1HB ASN 43 1HB ASN 43 -17.425 -6.197 4.369 338 2HB ASN 43 2HB ASN 43 -18.951 -5.474 3.899 339 1HD2 ASN 43 1HD2 ASN 43 -15.963 -6.915 2.718 340 2HD2 ASN 43 2HD2 ASN 43 -16.555 -7.468 1.187 341 H LYS 44 H LYS 44 -15.825 -4.719 1.384 342 HA LYS 44 HA LYS 44 -13.417 -5.299 2.911 343 1HB LYS 44 1HB LYS 44 -12.666 -6.479 1.059 344 2HB LYS 44 2HB LYS 44 -14.392 -6.777 1.033 345 1HG LYS 44 1HG LYS 44 -13.083 -4.524 -0.554 346 2HG LYS 44 2HG LYS 44 -13.330 -6.127 -1.215 347 1HD LYS 44 1HD LYS 44 -15.840 -5.775 -0.424 348 2HD LYS 44 2HD LYS 44 -15.409 -4.076 -0.406 349 1HE LYS 44 1HE LYS 44 -16.305 -4.514 -2.600 350 2HE LYS 44 2HE LYS 44 -14.573 -4.345 -2.808 351 1HZ LYS 44 1HZ LYS 44 -14.888 -6.280 -3.871 352 2HZ LYS 44 2HZ LYS 44 -14.714 -6.919 -2.378 353 3HZ LYS 44 3HZ LYS 44 -16.206 -6.712 -3.011 354 H TYR 45 H TYR 45 -11.338 -4.312 2.283 355 HA TYR 45 HA TYR 45 -11.770 -1.507 1.581 356 1HB TYR 45 1HB TYR 45 -10.181 -3.102 3.430 357 2HB TYR 45 2HB TYR 45 -9.056 -2.313 2.344 358 HD1 TYR 45 1HD TYR 45 -8.060 -0.837 3.948 359 HD2 TYR 45 2HD TYR 45 -12.300 -0.842 3.382 360 HE1 TYR 45 1HE TYR 45 -8.252 1.299 5.312 361 HE2 TYR 45 2HE TYR 45 -12.478 1.295 4.749 362 HH TYR 45 HH TYR 45 -9.798 2.508 6.549 363 H GLN 46 H GLN 46 -10.506 -0.442 -0.026 364 HA GLN 46 HA GLN 46 -9.553 -2.301 -2.029 365 1HB GLN 46 1HB GLN 46 -11.212 -0.640 -2.755 366 2HB GLN 46 2HB GLN 46 -10.213 0.673 -2.164 367 1HG GLN 46 1HG GLN 46 -8.615 0.422 -3.883 368 2HG GLN 46 2HG GLN 46 -9.028 -1.258 -4.168 369 1HE2 GLN 46 1HE2 GLN 46 -9.775 2.053 -4.812 370 2HE2 GLN 46 2HE2 GLN 46 -10.962 1.822 -6.052 371 H VAL 47 H VAL 47 -7.416 -2.308 -2.812 372 HA VAL 47 HA VAL 47 -5.598 -0.363 -1.593 373 HB VAL 47 HB VAL 47 -5.501 -3.358 -1.462 374 1HG1 VAL 47 1HG1 VAL 47 -3.205 -1.516 -1.886 375 2HG1 VAL 47 2HG1 VAL 47 -3.017 -2.742 -0.609 376 3HG1 VAL 47 3HG1 VAL 47 -3.382 -3.244 -2.277 377 1HG2 VAL 47 1HG2 VAL 47 -6.030 -1.327 0.381 378 2HG2 VAL 47 2HG2 VAL 47 -5.679 -3.035 0.743 379 3HG2 VAL 47 3HG2 VAL 47 -4.364 -1.835 0.746 380 H PHE 48 H PHE 48 -3.905 0.300 -2.940 381 HA PHE 48 HA PHE 48 -4.076 -0.779 -5.664 382 1HB PHE 48 1HB PHE 48 -4.382 1.832 -4.588 383 2HB PHE 48 2HB PHE 48 -2.733 1.837 -5.182 384 HD1 PHE 48 1HD PHE 48 -3.447 -0.208 -7.480 385 HD2 PHE 48 2HD PHE 48 -5.076 3.497 -6.207 386 HE1 PHE 48 1HE PHE 48 -4.286 0.223 -9.807 387 HE2 PHE 48 2HE PHE 48 -5.916 3.928 -8.533 388 HZ PHE 48 HZ PHE 48 -5.510 2.286 -10.305 389 H PHE 49 H PHE 49 -2.443 -2.281 -5.835 390 HA PHE 49 HA PHE 49 -0.007 -1.994 -4.419 391 1HB PHE 49 1HB PHE 49 -1.259 -3.752 -6.558 392 2HB PHE 49 2HB PHE 49 0.480 -3.856 -6.365 393 HD1 PHE 49 1HD PHE 49 1.073 -5.746 -5.200 394 HD2 PHE 49 2HD PHE 49 -2.373 -3.604 -3.958 395 HE1 PHE 49 1HE PHE 49 0.767 -7.347 -3.293 396 HE2 PHE 49 2HE PHE 49 -2.680 -5.206 -2.050 397 HZ PHE 49 HZ PHE 49 -1.107 -7.059 -1.740 398 H PHE 50 H PHE 50 1.659 -0.660 -4.921 399 HA PHE 50 HA PHE 50 1.713 0.688 -7.417 400 1HB PHE 50 1HB PHE 50 3.476 0.392 -4.935 401 2HB PHE 50 2HB PHE 50 4.082 1.290 -6.313 402 HD1 PHE 50 1HD PHE 50 2.135 3.000 -7.262 403 HD2 PHE 50 2HD PHE 50 2.623 1.697 -3.254 404 HE1 PHE 50 1HE PHE 50 0.941 5.053 -6.450 405 HE2 PHE 50 2HE PHE 50 1.428 3.751 -2.442 406 HZ PHE 50 HZ PHE 50 0.602 5.404 -4.049 407 H GLY 51 H GLY 51 3.301 -2.189 -6.033 408 1HA GLY 51 1HA GLY 51 5.487 -2.424 -7.725 409 2HA GLY 51 2HA GLY 51 4.633 -3.746 -6.954 410 H THR 52 H THR 52 2.193 -3.943 -8.074 411 HA THR 52 HA THR 52 2.839 -4.554 -10.851 412 HB THR 52 HB THR 52 1.012 -6.098 -10.674 413 HG1 THR 52 1HG THR 52 0.333 -4.648 -8.219 414 1HG2 THR 52 1HG2 THR 52 2.962 -6.495 -8.937 415 2HG2 THR 52 2HG2 THR 52 1.778 -5.926 -7.735 416 3HG2 THR 52 3HG2 THR 52 1.431 -7.375 -8.708 417 H HIS 53 H HIS 53 1.130 -2.185 -8.930 418 HA HIS 53 HA HIS 53 0.133 -0.319 -9.544 419 1HB HIS 53 1HB HIS 53 1.661 -0.949 -11.833 420 2HB HIS 53 2HB HIS 53 0.072 -0.517 -12.430 421 HD1 HIS 53 1HD HIS 53 2.373 1.360 -13.074 422 HD2 HIS 53 2HD HIS 53 0.013 1.744 -9.629 423 HE1 HIS 53 1HE HIS 53 2.593 3.788 -12.325 424 H GLU 54 H GLU 54 -1.290 -2.710 -8.938 425 HA GLU 54 HA GLU 54 -3.655 -2.229 -10.569 426 1HB GLU 54 1HB GLU 54 -2.579 -4.914 -9.613 427 2HB GLU 54 2HB GLU 54 -4.205 -4.700 -10.227 428 1HG GLU 54 1HG GLU 54 -2.633 -3.444 -12.178 429 2HG GLU 54 2HG GLU 54 -1.643 -4.809 -11.699 430 H THR 55 H THR 55 -5.718 -2.537 -9.429 431 HA THR 55 HA THR 55 -5.394 -2.044 -6.562 432 HB THR 55 HB THR 55 -7.586 -1.538 -8.628 433 HG1 THR 55 1HG THR 55 -6.051 0.056 -6.699 434 1HG2 THR 55 1HG2 THR 55 -8.727 -2.139 -6.503 435 2HG2 THR 55 2HG2 THR 55 -7.625 -1.074 -5.599 436 3HG2 THR 55 3HG2 THR 55 -8.793 -0.377 -6.747 437 H ALA 56 H ALA 56 -5.456 -3.741 -5.236 438 HA ALA 56 HA ALA 56 -7.285 -5.919 -5.989 439 1HB ALA 56 1HB ALA 56 -4.702 -5.994 -4.376 440 2HB ALA 56 2HB ALA 56 -5.752 -7.390 -4.719 441 3HB ALA 56 3HB ALA 56 -4.906 -6.563 -6.050 442 H PHE 57 H PHE 57 -8.813 -6.577 -4.488 443 HA PHE 57 HA PHE 57 -9.383 -4.742 -2.404 444 1HB PHE 57 1HB PHE 57 -11.377 -6.066 -2.260 445 2HB PHE 57 2HB PHE 57 -10.893 -6.306 -3.927 446 HD1 PHE 57 1HD PHE 57 -9.498 -8.401 -4.457 447 HD2 PHE 57 2HD PHE 57 -11.654 -7.897 -0.837 448 HE1 PHE 57 1HE PHE 57 -9.454 -10.883 -4.085 449 HE2 PHE 57 2HE PHE 57 -11.609 -10.379 -0.464 450 HZ PHE 57 HZ PHE 57 -10.509 -11.843 -2.093 451 H LEU 58 H LEU 58 -8.588 -4.719 -0.359 452 HA LEU 58 HA LEU 58 -7.972 -7.262 0.897 453 1HB LEU 58 1HB LEU 58 -5.955 -5.110 0.322 454 2HB LEU 58 2HB LEU 58 -5.781 -6.160 1.715 455 HG LEU 58 HG LEU 58 -5.882 -7.029 -1.186 456 1HD1 LEU 58 1HD1 LEU 58 -3.625 -7.175 -1.188 457 2HD1 LEU 58 2HD1 LEU 58 -3.779 -5.898 0.043 458 3HD1 LEU 58 3HD1 LEU 58 -3.533 -7.590 0.541 459 1HD2 LEU 58 1HD2 LEU 58 -4.986 -9.150 0.429 460 2HD2 LEU 58 2HD2 LEU 58 -6.448 -8.513 1.221 461 3HD2 LEU 58 3HD2 LEU 58 -6.513 -9.035 -0.481 462 H GLY 59 H GLY 59 -7.162 -6.628 3.316 463 1HA GLY 59 1HA GLY 59 -8.996 -4.496 4.239 464 2HA GLY 59 2HA GLY 59 -8.851 -6.051 5.034 465 HA PRO 60 HA PRO 60 -5.852 -3.348 7.067 466 1HB PRO 60 1HB PRO 60 -6.603 -3.870 9.642 467 2HB PRO 60 2HB PRO 60 -7.220 -2.513 8.720 468 1HG PRO 60 1HG PRO 60 -8.568 -5.053 9.411 469 2HG PRO 60 2HG PRO 60 -9.279 -3.543 8.877 470 1HD PRO 60 1HD PRO 60 -8.886 -5.908 7.303 471 2HD PRO 60 2HD PRO 60 -9.490 -4.362 6.739 472 H LYS 61 H LYS 61 -6.747 -6.651 7.520 473 HA LYS 61 HA LYS 61 -4.399 -7.326 8.963 474 1HB LYS 61 1HB LYS 61 -6.415 -8.642 9.190 475 2HB LYS 61 2HB LYS 61 -6.445 -8.992 7.472 476 1HG LYS 61 1HG LYS 61 -5.091 -10.779 7.795 477 2HG LYS 61 2HG LYS 61 -3.839 -9.736 8.437 478 1HD LYS 61 1HD LYS 61 -6.079 -10.287 10.328 479 2HD LYS 61 2HD LYS 61 -5.140 -11.698 9.884 480 1HE LYS 61 1HE LYS 61 -3.816 -9.108 10.800 481 2HE LYS 61 2HE LYS 61 -4.325 -10.342 11.937 482 1HZ LYS 61 1HZ LYS 61 -1.970 -10.339 10.790 483 2HZ LYS 61 2HZ LYS 61 -2.709 -11.718 11.263 484 3HZ LYS 61 3HZ LYS 61 -2.762 -11.258 9.696 485 H ASP 62 H ASP 62 -5.314 -7.056 5.530 486 HA ASP 62 HA ASP 62 -2.953 -8.406 4.687 487 1HB ASP 62 1HB ASP 62 -5.308 -7.062 3.404 488 2HB ASP 62 2HB ASP 62 -3.841 -7.113 2.446 489 H LEU 63 H LEU 63 -3.674 -5.352 5.977 490 HA LEU 63 HA LEU 63 -1.458 -4.103 4.506 491 1HB LEU 63 1HB LEU 63 -4.110 -3.078 5.375 492 2HB LEU 63 2HB LEU 63 -2.746 -1.983 5.491 493 HG LEU 63 HG LEU 63 -3.834 -3.321 3.008 494 1HD1 LEU 63 1HD1 LEU 63 -4.927 -1.423 2.665 495 2HD1 LEU 63 2HD1 LEU 63 -4.398 -0.865 4.270 496 3HD1 LEU 63 3HD1 LEU 63 -3.428 -0.478 2.828 497 1HD2 LEU 63 1HD2 LEU 63 -1.865 -1.594 2.141 498 2HD2 LEU 63 2HD2 LEU 63 -1.120 -2.380 3.553 499 3HD2 LEU 63 3HD2 LEU 63 -1.750 -3.368 2.213 500 H PHE 64 H PHE 64 0.357 -3.967 5.700 501 HA PHE 64 HA PHE 64 0.001 -3.802 8.608 502 1HB PHE 64 1HB PHE 64 1.790 -5.257 6.692 503 2HB PHE 64 2HB PHE 64 2.658 -4.524 8.027 504 HD1 PHE 64 1HD PHE 64 2.928 -5.762 9.953 505 HD2 PHE 64 2HD PHE 64 -0.371 -6.629 7.430 506 HE1 PHE 64 1HE PHE 64 2.318 -7.706 11.419 507 HE2 PHE 64 2HE PHE 64 -0.982 -8.571 8.896 508 HZ PHE 64 HZ PHE 64 0.368 -9.087 10.873 509 HA PRO 65 HA PRO 65 1.929 0.083 8.301 510 1HB PRO 65 1HB PRO 65 2.301 0.585 10.961 511 2HB PRO 65 2HB PRO 65 0.783 0.871 10.135 512 1HG PRO 65 1HG PRO 65 1.498 -1.313 11.995 513 2HG PRO 65 2HG PRO 65 -0.093 -0.769 11.501 514 1HD PRO 65 1HD PRO 65 1.281 -3.112 10.579 515 2HD PRO 65 2HD PRO 65 -0.258 -2.504 10.002 516 H TYR 66 H TYR 66 3.927 1.233 8.476 517 HA TYR 66 HA TYR 66 6.103 -0.431 8.086 518 1HB TYR 66 1HB TYR 66 6.182 1.865 7.341 519 2HB TYR 66 2HB TYR 66 5.546 2.467 8.859 520 HD1 TYR 66 1HD TYR 66 8.584 1.176 7.177 521 HD2 TYR 66 2HD TYR 66 7.000 3.050 10.681 522 HE1 TYR 66 1HE TYR 66 10.939 1.735 7.950 523 HE2 TYR 66 2HE TYR 66 9.362 3.603 11.444 524 HH TYR 66 HH TYR 66 11.921 2.181 10.551 525 H GLU 67 H GLU 67 4.834 1.106 11.078 526 HA GLU 67 HA GLU 67 7.041 0.660 12.654 527 1HB GLU 67 1HB GLU 67 4.390 1.615 12.980 528 2HB GLU 67 2HB GLU 67 4.554 0.315 14.144 529 1HG GLU 67 1HG GLU 67 6.906 2.138 14.004 530 2HG GLU 67 2HG GLU 67 5.428 2.906 14.550 531 H GLU 68 H GLU 68 4.130 -1.421 12.063 532 HA GLU 68 HA GLU 68 5.102 -3.468 13.739 533 1HB GLU 68 1HB GLU 68 2.656 -2.849 12.699 534 2HB GLU 68 2HB GLU 68 3.122 -4.129 11.598 535 1HG GLU 68 1HG GLU 68 2.725 -5.716 13.170 536 2HG GLU 68 2HG GLU 68 3.795 -4.926 14.311 537 H SER 69 H SER 69 5.022 -2.903 10.168 538 HA SER 69 HA SER 69 5.984 -5.327 9.380 539 1HB SER 69 1HB SER 69 5.489 -2.790 8.209 540 2HB SER 69 2HB SER 69 7.150 -3.165 7.795 541 HG SER 69 HG SER 69 6.499 -5.086 6.783 542 H LYS 70 H LYS 70 7.817 -2.317 10.259 543 HA LYS 70 HA LYS 70 10.349 -3.462 9.840 544 1HB LYS 70 1HB LYS 70 11.142 -1.414 10.402 545 2HB LYS 70 2HB LYS 70 9.475 -0.955 10.125 546 1HG LYS 70 1HG LYS 70 9.094 -1.472 12.653 547 2HG LYS 70 2HG LYS 70 10.843 -1.489 12.792 548 1HD LYS 70 1HD LYS 70 10.490 0.854 11.395 549 2HD LYS 70 2HD LYS 70 8.998 0.814 12.313 550 1HE LYS 70 1HE LYS 70 10.270 1.791 13.956 551 2HE LYS 70 2HE LYS 70 10.761 0.143 14.296 552 1HZ LYS 70 1HZ LYS 70 12.633 1.629 14.003 553 2HZ LYS 70 2HZ LYS 70 12.649 0.449 12.874 554 3HZ LYS 70 3HZ LYS 70 12.177 1.959 12.471 555 H GLU 71 H GLU 71 7.994 -3.622 12.459 556 HA GLU 71 HA GLU 71 9.712 -4.223 14.527 557 1HB GLU 71 1HB GLU 71 6.971 -3.968 14.198 558 2HB GLU 71 2HB GLU 71 7.129 -5.677 14.550 559 1HG GLU 71 1HG GLU 71 8.581 -5.039 16.561 560 2HG GLU 71 2HG GLU 71 8.167 -3.364 16.249 561 H LYS 72 H LYS 72 8.259 -6.275 11.959 562 HA LYS 72 HA LYS 72 9.645 -8.589 13.083 563 1HB LYS 72 1HB LYS 72 7.407 -9.132 12.676 564 2HB LYS 72 2HB LYS 72 7.348 -8.234 11.173 565 1HG LYS 72 1HG LYS 72 9.199 -9.940 10.365 566 2HG LYS 72 2HG LYS 72 8.655 -10.917 11.713 567 1HD LYS 72 1HD LYS 72 7.139 -11.720 10.187 568 2HD LYS 72 2HD LYS 72 6.232 -10.287 10.627 569 1HE LYS 72 1HE LYS 72 7.255 -9.036 8.728 570 2HE LYS 72 2HE LYS 72 8.207 -10.444 8.300 571 1HZ LYS 72 1HZ LYS 72 5.359 -10.017 8.003 572 2HZ LYS 72 2HZ LYS 72 6.417 -10.717 6.975 573 3HZ LYS 72 3HZ LYS 72 5.868 -11.546 8.272 574 H PHE 73 H PHE 73 9.013 -7.252 9.759 575 HA PHE 73 HA PHE 73 11.864 -7.656 9.230 576 1HB PHE 73 1HB PHE 73 9.428 -8.891 8.055 577 2HB PHE 73 2HB PHE 73 10.397 -8.102 6.826 578 HD1 PHE 73 1HD PHE 73 12.853 -8.764 6.633 579 HD2 PHE 73 2HD PHE 73 10.036 -11.000 8.887 580 HE1 PHE 73 1HE PHE 73 14.370 -10.761 6.549 581 HE2 PHE 73 2HE PHE 73 11.554 -12.996 8.803 582 HZ PHE 73 HZ PHE 73 13.702 -12.854 7.635 583 H GLY 74 H GLY 74 8.839 -6.431 7.612 584 1HA GLY 74 1HA GLY 74 8.356 -4.385 6.787 585 2HA GLY 74 2HA GLY 74 9.772 -3.735 7.590 586 H LYS 75 H LYS 75 10.860 -6.414 5.877 587 HA LYS 75 HA LYS 75 11.239 -4.885 3.412 588 1HB LYS 75 1HB LYS 75 13.614 -5.565 3.373 589 2HB LYS 75 2HB LYS 75 13.236 -4.483 4.697 590 1HG LYS 75 1HG LYS 75 12.784 -6.901 5.918 591 2HG LYS 75 2HG LYS 75 14.021 -7.368 4.767 592 1HD LYS 75 1HD LYS 75 15.190 -5.105 5.677 593 2HD LYS 75 2HD LYS 75 14.205 -5.453 7.083 594 1HE LYS 75 1HE LYS 75 15.522 -7.210 7.706 595 2HE LYS 75 2HE LYS 75 15.540 -7.878 6.086 596 1HZ LYS 75 1HZ LYS 75 17.048 -5.599 5.973 597 2HZ LYS 75 2HZ LYS 75 17.498 -6.330 7.361 598 3HZ LYS 75 3HZ LYS 75 17.595 -7.138 5.946 599 HA PRO 76 HA PRO 76 9.792 -8.916 2.287 600 1HB PRO 76 1HB PRO 76 8.501 -8.149 0.004 601 2HB PRO 76 2HB PRO 76 7.726 -8.190 1.575 602 1HG PRO 76 1HG PRO 76 8.662 -5.849 0.031 603 2HG PRO 76 2HG PRO 76 7.530 -5.900 1.367 604 1HD PRO 76 1HD PRO 76 10.269 -5.054 1.470 605 2HD PRO 76 2HD PRO 76 9.170 -5.216 2.825 606 H ASN 77 H ASN 77 9.896 -10.245 0.156 607 HA ASN 77 HA ASN 77 12.496 -10.545 -0.426 608 1HB ASN 77 1HB ASN 77 9.950 -11.132 -1.959 609 2HB ASN 77 2HB ASN 77 11.478 -11.402 -2.771 610 1HD2 ASN 77 1HD2 ASN 77 11.012 -11.664 0.697 611 2HD2 ASN 77 2HD2 ASN 77 11.221 -13.377 0.842 612 H LYS 78 H LYS 78 13.989 -9.242 -1.504 613 HA LYS 78 HA LYS 78 13.104 -6.879 -2.817 614 1HB LYS 78 1HB LYS 78 15.212 -7.185 -1.424 615 2HB LYS 78 2HB LYS 78 15.897 -8.045 -2.789 616 1HG LYS 78 1HG LYS 78 14.625 -5.446 -3.497 617 2HG LYS 78 2HG LYS 78 16.015 -5.303 -2.438 618 1HD LYS 78 1HD LYS 78 16.395 -7.202 -4.700 619 2HD LYS 78 2HD LYS 78 16.150 -5.538 -5.191 620 1HE LYS 78 1HE LYS 78 18.180 -4.857 -4.360 621 2HE LYS 78 2HE LYS 78 18.020 -5.820 -2.904 622 1HZ LYS 78 1HZ LYS 78 19.543 -7.077 -3.889 623 2HZ LYS 78 2HZ LYS 78 18.319 -7.687 -4.782 624 3HZ LYS 78 3HZ LYS 78 19.256 -6.494 -5.387 625 H ARG 79 H ARG 79 11.644 -7.972 -4.395 626 HA ARG 79 HA ARG 79 13.013 -9.440 -6.439 627 1HB ARG 79 1HB ARG 79 10.106 -8.673 -5.947 628 2HB ARG 79 2HB ARG 79 10.597 -9.392 -7.468 629 1HG ARG 79 1HG ARG 79 11.423 -10.722 -4.875 630 2HG ARG 79 2HG ARG 79 9.783 -10.929 -5.454 631 1HD ARG 79 1HD ARG 79 10.511 -11.978 -7.492 632 2HD ARG 79 2HD ARG 79 12.160 -11.423 -7.288 633 HE ARG 79 HE ARG 79 11.559 -13.007 -5.018 634 1HH1 ARG 79 2HH2 ARG 79 11.844 -13.435 -8.500 635 2HH1 ARG 79 1HH2 ARG 79 12.321 -15.096 -8.385 636 1HH2 ARG 79 2HH1 ARG 79 12.190 -15.198 -4.867 637 2HH2 ARG 79 1HH1 ARG 79 12.518 -16.106 -6.304 638 H LYS 80 H LYS 80 11.826 -8.707 -8.816 639 HA LYS 80 HA LYS 80 13.172 -6.323 -9.450 640 1HB LYS 80 1HB LYS 80 11.582 -8.379 -10.839 641 2HB LYS 80 2HB LYS 80 11.459 -6.784 -11.554 642 1HG LYS 80 1HG LYS 80 13.412 -7.355 -12.605 643 2HG LYS 80 2HG LYS 80 14.161 -6.882 -11.095 644 1HD LYS 80 1HD LYS 80 13.133 -9.709 -11.343 645 2HD LYS 80 2HD LYS 80 14.611 -9.294 -12.187 646 1HE LYS 80 1HE LYS 80 15.768 -8.758 -10.176 647 2HE LYS 80 2HE LYS 80 14.287 -8.538 -9.267 648 1HZ LYS 80 1HZ LYS 80 14.289 -11.123 -10.243 649 2HZ LYS 80 2HZ LYS 80 15.766 -10.865 -9.596 650 3HZ LYS 80 3HZ LYS 80 14.426 -10.641 -8.689 651 H GLY 81 H GLY 81 9.614 -6.991 -9.775 652 1HA GLY 81 1HA GLY 81 8.850 -4.325 -9.949 653 2HA GLY 81 2HA GLY 81 7.831 -5.663 -9.455 654 H PHE 82 H PHE 82 10.111 -6.080 -7.231 655 HA PHE 82 HA PHE 82 8.646 -4.649 -5.239 656 1HB PHE 82 1HB PHE 82 9.493 -6.813 -4.625 657 2HB PHE 82 2HB PHE 82 11.010 -6.556 -5.463 658 HD1 PHE 82 1HD PHE 82 9.513 -6.739 -2.321 659 HD2 PHE 82 2HD PHE 82 12.476 -4.570 -4.448 660 HE1 PHE 82 1HE PHE 82 10.605 -6.103 -0.152 661 HE2 PHE 82 2HE PHE 82 13.567 -3.935 -2.279 662 HZ PHE 82 HZ PHE 82 12.619 -4.710 -0.157 663 H SER 83 H SER 83 11.745 -4.285 -6.981 664 HA SER 83 HA SER 83 12.698 -2.317 -5.177 665 1HB SER 83 1HB SER 83 14.225 -3.765 -6.492 666 2HB SER 83 2HB SER 83 13.612 -3.083 -7.986 667 HG SER 83 HG SER 83 15.054 -1.679 -5.902 668 H GLU 84 H GLU 84 11.618 -2.265 -8.660 669 HA GLU 84 HA GLU 84 11.665 0.458 -8.932 670 1HB GLU 84 1HB GLU 84 10.014 0.048 -10.818 671 2HB GLU 84 2HB GLU 84 11.459 -0.943 -10.877 672 1HG GLU 84 1HG GLU 84 9.857 -2.576 -9.377 673 2HG GLU 84 2HG GLU 84 8.627 -1.742 -10.306 674 H GLY 85 H GLY 85 9.138 -1.709 -7.592 675 1HA GLY 85 1HA GLY 85 7.049 0.178 -7.475 676 2HA GLY 85 2HA GLY 85 7.204 -1.288 -6.527 677 H LEU 86 H LEU 86 9.175 -1.087 -4.799 678 HA LEU 86 HA LEU 86 8.337 0.669 -2.874 679 1HB LEU 86 1HB LEU 86 9.583 -0.990 -1.997 680 2HB LEU 86 2HB LEU 86 10.698 -1.037 -3.348 681 HG LEU 86 HG LEU 86 11.777 -0.372 -1.238 682 1HD1 LEU 86 1HD1 LEU 86 12.068 2.156 -2.681 683 2HD1 LEU 86 2HD1 LEU 86 13.254 0.868 -2.360 684 3HD1 LEU 86 3HD1 LEU 86 12.140 0.728 -3.741 685 1HD2 LEU 86 1HD2 LEU 86 10.825 2.352 -1.089 686 2HD2 LEU 86 2HD2 LEU 86 9.484 1.202 -0.876 687 3HD2 LEU 86 3HD2 LEU 86 10.916 1.103 0.177 688 H TRP 87 H TRP 87 10.521 1.186 -5.623 689 HA TRP 87 HA TRP 87 11.382 3.743 -4.575 690 1HB TRP 87 1HB TRP 87 12.414 1.843 -6.388 691 2HB TRP 87 2HB TRP 87 12.072 3.279 -7.331 692 HD1 TRP 87 HD TRP 87 13.416 5.586 -6.533 693 HE1 TRP 87 1HE TRP 87 15.739 5.987 -5.348 694 HE3 TRP 87 3HE TRP 87 13.903 0.859 -4.725 695 HZ2 TRP 87 2HZ TRP 87 17.481 4.320 -3.821 696 HZ3 TRP 87 3HZ TRP 87 15.945 0.328 -3.397 697 HH2 TRP 87 HH TRP 87 17.697 1.968 -2.936 698 H GLU 88 H GLU 88 8.946 2.286 -6.685 699 HA GLU 88 HA GLU 88 8.376 4.665 -8.091 700 1HB GLU 88 1HB GLU 88 7.858 2.462 -9.042 701 2HB GLU 88 2HB GLU 88 6.782 2.094 -7.709 702 1HG GLU 88 1HG GLU 88 6.010 4.643 -8.879 703 2HG GLU 88 2HG GLU 88 6.147 3.446 -10.152 704 H ILE 89 H ILE 89 7.648 3.457 -4.915 705 HA ILE 89 HA ILE 89 5.361 5.271 -4.685 706 HB ILE 89 HB ILE 89 4.745 3.153 -3.964 707 1HG1 ILE 89 1HG1 ILE 89 4.260 5.054 -2.371 708 2HG1 ILE 89 2HG1 ILE 89 4.172 3.440 -1.694 709 1HG2 ILE 89 1HG2 ILE 89 7.553 2.933 -3.110 710 2HG2 ILE 89 2HG2 ILE 89 6.378 2.174 -2.010 711 3HG2 ILE 89 3HG2 ILE 89 6.431 1.694 -3.723 712 1HD1 ILE 89 1HD1 ILE 89 5.709 4.008 -0.138 713 2HD1 ILE 89 2HD1 ILE 89 6.893 4.327 -1.426 714 3HD1 ILE 89 3HD1 ILE 89 5.831 5.634 -0.853 715 H GLU 90 H GLU 90 8.630 4.504 -3.408 716 HA GLU 90 HA GLU 90 8.468 6.674 -1.559 717 1HB GLU 90 1HB GLU 90 10.618 4.674 -2.319 718 2HB GLU 90 2HB GLU 90 10.991 6.035 -1.282 719 1HG GLU 90 1HG GLU 90 8.797 5.207 0.029 720 2HG GLU 90 2HG GLU 90 9.178 3.682 -0.748 721 H ASN 91 H ASN 91 9.517 6.102 -4.868 722 HA ASN 91 HA ASN 91 10.453 8.854 -4.920 723 1HB ASN 91 1HB ASN 91 11.694 6.608 -6.581 724 2HB ASN 91 2HB ASN 91 12.282 8.251 -6.428 725 1HD2 ASN 91 1HD2 ASN 91 11.232 5.642 -4.233 726 2HD2 ASN 91 2HD2 ASN 91 12.593 5.696 -3.163 727 H ASN 92 H ASN 92 7.978 8.822 -5.591 728 HA ASN 92 HA ASN 92 7.225 7.601 -7.958 729 1HB ASN 92 1HB ASN 92 5.383 9.443 -7.907 730 2HB ASN 92 2HB ASN 92 5.468 8.369 -6.525 731 1HD2 ASN 92 1HD2 ASN 92 4.322 10.104 -5.457 732 2HD2 ASN 92 2HD2 ASN 92 5.192 11.423 -4.751 733 HA PRO 93 HA PRO 93 8.921 10.414 -10.869 734 1HB PRO 93 1HB PRO 93 7.335 9.955 -13.046 735 2HB PRO 93 2HB PRO 93 8.668 8.911 -12.595 736 1HG PRO 93 1HG PRO 93 5.765 8.454 -12.274 737 2HG PRO 93 2HG PRO 93 7.072 7.287 -12.232 738 1HD PRO 93 1HD PRO 93 5.643 8.345 -9.982 739 2HD PRO 93 2HD PRO 93 7.023 7.268 -9.934 740 H THR 94 H THR 94 5.529 10.595 -10.187 741 HA THR 94 HA THR 94 5.750 13.495 -10.515 742 HB THR 94 HB THR 94 3.624 11.673 -11.760 743 HG1 THR 94 1HG THR 94 4.587 12.928 -13.651 744 1HG2 THR 94 1HG2 THR 94 2.833 13.876 -12.777 745 2HG2 THR 94 2HG2 THR 94 2.508 13.735 -11.031 746 3HG2 THR 94 3HG2 THR 94 3.874 14.722 -11.606 747 H VAL 95 H VAL 95 5.938 13.549 -8.213 748 HA VAL 95 HA VAL 95 3.984 12.339 -6.574 749 HB VAL 95 HB VAL 95 6.144 12.827 -5.712 750 1HG1 VAL 95 1HG1 VAL 95 5.745 15.403 -7.044 751 2HG1 VAL 95 2HG1 VAL 95 6.385 15.574 -5.391 752 3HG1 VAL 95 3HG1 VAL 95 7.250 14.572 -6.581 753 1HG2 VAL 95 1HG2 VAL 95 3.817 13.491 -4.411 754 2HG2 VAL 95 2HG2 VAL 95 5.426 13.399 -3.657 755 3HG2 VAL 95 3HG2 VAL 95 4.790 14.967 -4.208 756 H LYS 96 H LYS 96 1.853 12.834 -6.686 757 HA LYS 96 HA LYS 96 1.026 15.418 -7.595 758 1HB LYS 96 1HB LYS 96 -1.223 14.515 -7.390 759 2HB LYS 96 2HB LYS 96 -0.180 13.385 -8.232 760 1HG LYS 96 1HG LYS 96 -0.377 11.798 -6.597 761 2HG LYS 96 2HG LYS 96 -0.161 12.965 -5.307 762 1HD LYS 96 1HD LYS 96 -2.377 12.469 -4.903 763 2HD LYS 96 2HD LYS 96 -2.635 13.726 -6.097 764 1HE LYS 96 1HE LYS 96 -3.194 12.208 -7.794 765 2HE LYS 96 2HE LYS 96 -2.230 10.914 -7.106 766 1HZ LYS 96 1HZ LYS 96 -4.736 11.933 -5.953 767 2HZ LYS 96 2HZ LYS 96 -4.583 10.550 -6.810 768 3HZ LYS 96 3HZ LYS 96 -3.848 10.696 -5.360 769 H ALA 97 H ALA 97 1.491 13.737 -4.495 770 HA ALA 97 HA ALA 97 1.136 16.272 -3.152 771 1HB ALA 97 1HB ALA 97 -0.892 15.843 -2.289 772 2HB ALA 97 2HB ALA 97 -0.978 14.358 -3.263 773 3HB ALA 97 3HB ALA 97 -0.301 14.305 -1.618 774 H SER 98 H SER 98 2.093 16.245 -0.987 775 HA SER 98 HA SER 98 4.366 14.615 -0.935 776 1HB SER 98 1HB SER 98 3.258 16.866 0.574 777 2HB SER 98 2HB SER 98 4.011 15.707 1.652 778 HG SER 98 HG SER 98 5.488 16.296 -0.683 779 H GLY 99 H GLY 99 1.371 14.773 1.120 780 1HA GLY 99 1HA GLY 99 0.381 12.538 1.548 781 2HA GLY 99 2HA GLY 99 1.984 12.027 2.039 782 H TYR 100 H TYR 100 2.865 12.692 4.064 783 HA TYR 100 HA TYR 100 1.304 12.850 6.205 784 1HB TYR 100 1HB TYR 100 3.483 13.026 6.993 785 2HB TYR 100 2HB TYR 100 4.019 13.488 5.390 786 HD1 TYR 100 1HD TYR 100 5.275 15.426 5.328 787 HD2 TYR 100 2HD TYR 100 2.099 15.131 8.180 788 HE1 TYR 100 1HE TYR 100 5.822 17.755 6.191 789 HE2 TYR 100 2HE TYR 100 2.656 17.460 9.031 790 HH TYR 100 HH TYR 100 4.746 18.904 9.080 Start of MODEL 18 1 H MET 1 H MET 1 15.801 14.846 6.583 2 HA MET 1 HA MET 1 13.697 15.392 6.177 3 1HB MET 1 1HB MET 1 14.584 14.785 3.357 4 2HB MET 1 2HB MET 1 12.860 14.702 3.657 5 1HG MET 1 1HG MET 1 12.671 16.974 3.795 6 2HG MET 1 2HG MET 1 14.034 17.101 4.888 7 1HE MET 1 1HE MET 1 15.750 19.419 2.515 8 2HE MET 1 2HE MET 1 14.205 19.460 3.398 9 3HE MET 1 3HE MET 1 15.659 18.797 4.180 10 H SER 2 H SER 2 11.625 14.224 6.197 11 HA SER 2 HA SER 2 12.010 11.342 5.981 12 1HB SER 2 1HB SER 2 10.714 10.987 7.998 13 2HB SER 2 2HB SER 2 11.995 12.121 8.375 14 HG SER 2 HG SER 2 10.120 13.754 7.683 15 H ARG 3 H ARG 3 9.743 10.184 5.900 16 HA ARG 3 HA ARG 3 8.211 11.675 3.972 17 1HB ARG 3 1HB ARG 3 7.312 9.556 3.279 18 2HB ARG 3 2HB ARG 3 9.002 9.245 3.621 19 1HG ARG 3 1HG ARG 3 8.276 7.574 4.984 20 2HG ARG 3 2HG ARG 3 7.822 8.837 6.112 21 1HD ARG 3 1HD ARG 3 5.711 7.966 5.926 22 2HD ARG 3 2HD ARG 3 5.640 8.863 4.423 23 HE ARG 3 HE ARG 3 6.898 6.417 3.796 24 1HH1 ARG 3 2HH2 ARG 3 3.779 7.470 5.039 25 2HH1 ARG 3 1HH2 ARG 3 2.918 6.121 4.380 26 1HH2 ARG 3 2HH1 ARG 3 5.763 4.634 2.928 27 2HH2 ARG 3 1HH1 ARG 3 4.053 4.497 3.171 28 H SER 4 H SER 4 5.700 11.335 4.084 29 HA SER 4 HA SER 4 4.933 12.055 6.750 30 1HB SER 4 1HB SER 4 4.069 12.729 4.141 31 2HB SER 4 2HB SER 4 2.737 11.821 4.827 32 HG SER 4 HG SER 4 4.006 14.162 5.964 33 H ASN 5 H ASN 5 4.433 10.447 8.195 34 HA ASN 5 HA ASN 5 3.104 8.103 7.081 35 1HB ASN 5 1HB ASN 5 4.022 6.898 9.128 36 2HB ASN 5 2HB ASN 5 5.263 7.468 8.029 37 1HD2 ASN 5 1HD2 ASN 5 3.667 7.922 11.090 38 2HD2 ASN 5 2HD2 ASN 5 4.820 8.987 11.823 39 H ARG 6 H ARG 6 1.501 7.059 8.668 40 HA ARG 6 HA ARG 6 -0.129 9.070 9.755 41 1HB ARG 6 1HB ARG 6 -1.678 7.272 10.247 42 2HB ARG 6 2HB ARG 6 -0.910 6.865 8.725 43 1HG ARG 6 1HG ARG 6 0.756 5.798 10.804 44 2HG ARG 6 2HG ARG 6 -0.895 5.378 11.215 45 1HD ARG 6 1HD ARG 6 -0.459 3.603 9.796 46 2HD ARG 6 2HD ARG 6 -0.995 4.751 8.584 47 HE ARG 6 HE ARG 6 1.209 4.924 7.788 48 1HH1 ARG 6 2HH2 ARG 6 1.215 3.341 10.931 49 2HH1 ARG 6 1HH2 ARG 6 2.887 2.899 10.846 50 1HH2 ARG 6 2HH1 ARG 6 3.414 4.339 7.676 51 2HH2 ARG 6 1HH1 ARG 6 4.147 3.470 8.983 52 H GLN 7 H GLN 7 -1.174 8.273 12.138 53 HA GLN 7 HA GLN 7 1.153 8.394 13.869 54 1HB GLN 7 1HB GLN 7 -1.347 8.793 15.276 55 2HB GLN 7 2HB GLN 7 -0.022 9.919 15.051 56 1HG GLN 7 1HG GLN 7 -1.787 11.038 13.976 57 2HG GLN 7 2HG GLN 7 -0.998 10.242 12.629 58 1HE2 GLN 7 1HE2 GLN 7 -2.373 9.436 11.255 59 2HE2 GLN 7 2HE2 GLN 7 -3.875 8.647 11.604 60 H LYS 8 H LYS 8 -2.203 7.216 14.534 61 HA LYS 8 HA LYS 8 -0.989 4.665 15.349 62 1HB LYS 8 1HB LYS 8 -2.697 4.520 17.090 63 2HB LYS 8 2HB LYS 8 -1.711 5.955 17.287 64 1HG LYS 8 1HG LYS 8 -3.870 6.830 17.571 65 2HG LYS 8 2HG LYS 8 -3.584 7.156 15.873 66 1HD LYS 8 1HD LYS 8 -5.479 5.998 15.410 67 2HD LYS 8 2HD LYS 8 -4.634 4.540 15.886 68 1HE LYS 8 1HE LYS 8 -5.740 6.202 18.123 69 2HE LYS 8 2HE LYS 8 -6.921 5.410 17.100 70 1HZ LYS 8 1HZ LYS 8 -5.018 3.525 17.576 71 2HZ LYS 8 2HZ LYS 8 -5.200 4.273 19.017 72 3HZ LYS 8 3HZ LYS 8 -6.494 3.610 18.272 73 H GLU 9 H GLU 9 -3.509 6.402 13.565 74 HA GLU 9 HA GLU 9 -4.513 3.802 12.702 75 1HB GLU 9 1HB GLU 9 -6.619 5.039 12.087 76 2HB GLU 9 2HB GLU 9 -6.276 5.045 13.805 77 1HG GLU 9 1HG GLU 9 -5.817 7.314 13.857 78 2HG GLU 9 2HG GLU 9 -5.106 7.322 12.254 79 H TYR 10 H TYR 10 -5.801 4.412 10.358 80 HA TYR 10 HA TYR 10 -3.996 6.010 8.735 81 1HB TYR 10 1HB TYR 10 -3.626 4.048 7.234 82 2HB TYR 10 2HB TYR 10 -3.121 3.615 8.857 83 HD1 TYR 10 1HD TYR 10 -4.966 2.438 10.346 84 HD2 TYR 10 2HD TYR 10 -5.065 2.627 6.073 85 HE1 TYR 10 1HE TYR 10 -6.521 0.427 10.285 86 HE2 TYR 10 2HE TYR 10 -6.621 0.617 6.027 87 HH TYR 10 HH TYR 10 -7.765 -0.846 9.052 88 H LYS 11 H LYS 11 -5.319 7.336 7.605 89 HA LYS 11 HA LYS 11 -7.997 6.353 6.986 90 1HB LYS 11 1HB LYS 11 -8.637 8.629 6.759 91 2HB LYS 11 2HB LYS 11 -7.677 8.515 8.219 92 1HG LYS 11 1HG LYS 11 -5.852 9.653 7.288 93 2HG LYS 11 2HG LYS 11 -6.226 9.144 5.653 94 1HD LYS 11 1HD LYS 11 -7.927 11.124 7.240 95 2HD LYS 11 2HD LYS 11 -6.669 11.604 6.120 96 1HE LYS 11 1HE LYS 11 -8.126 9.833 4.564 97 2HE LYS 11 2HE LYS 11 -9.388 10.534 5.559 98 1HZ LYS 11 1HZ LYS 11 -7.777 12.611 4.778 99 2HZ LYS 11 2HZ LYS 11 -7.994 11.705 3.437 100 3HZ LYS 11 3HZ LYS 11 -9.286 12.282 4.250 101 H CYS 12 H CYS 12 -8.831 7.345 4.752 102 HA CYS 12 HA CYS 12 -7.577 5.951 2.771 103 1HB CYS 12 1HB CYS 12 -9.925 6.969 2.795 104 2HB CYS 12 2HB CYS 12 -9.185 8.468 2.269 105 HG CYS 12 HG CYS 12 -8.268 7.738 0.062 106 H GLY 13 H GLY 13 -6.156 6.596 1.008 107 1HA GLY 13 1HA GLY 13 -4.699 7.993 -0.092 108 2HA GLY 13 2HA GLY 13 -4.938 9.235 1.122 109 H ASP 14 H ASP 14 -4.555 6.671 3.086 110 HA ASP 14 HA ASP 14 -1.904 7.355 3.682 111 1HB ASP 14 1HB ASP 14 -3.606 6.560 5.350 112 2HB ASP 14 2HB ASP 14 -3.586 4.974 4.604 113 H LEU 15 H LEU 15 0.003 5.901 3.558 114 HA LEU 15 HA LEU 15 -0.340 3.743 1.594 115 1HB LEU 15 1HB LEU 15 1.110 6.116 1.305 116 2HB LEU 15 2HB LEU 15 2.318 4.898 1.660 117 HG LEU 15 HG LEU 15 0.312 4.855 -0.608 118 1HD1 LEU 15 1HD1 LEU 15 2.095 6.380 -1.068 119 2HD1 LEU 15 2HD1 LEU 15 3.318 5.206 -0.530 120 3HD1 LEU 15 3HD1 LEU 15 2.383 4.899 -2.013 121 1HD2 LEU 15 1HD2 LEU 15 1.014 2.733 -1.244 122 2HD2 LEU 15 2HD2 LEU 15 2.474 2.797 -0.228 123 3HD2 LEU 15 3HD2 LEU 15 0.873 2.600 0.525 124 H VAL 16 H VAL 16 0.412 1.753 2.183 125 HA VAL 16 HA VAL 16 2.392 1.571 4.279 126 HB VAL 16 HB VAL 16 -0.299 1.537 4.962 127 1HG1 VAL 16 1HG1 VAL 16 -0.350 -0.757 3.855 128 2HG1 VAL 16 2HG1 VAL 16 0.710 -1.311 5.173 129 3HG1 VAL 16 3HG1 VAL 16 -0.913 -0.680 5.541 130 1HG2 VAL 16 1HG2 VAL 16 1.384 2.081 6.546 131 2HG2 VAL 16 2HG2 VAL 16 0.598 0.605 7.155 132 3HG2 VAL 16 3HG2 VAL 16 2.184 0.503 6.355 133 H PHE 17 H PHE 17 2.590 -1.038 4.730 134 HA PHE 17 HA PHE 17 3.057 -2.086 2.066 135 1HB PHE 17 1HB PHE 17 3.686 -3.234 4.848 136 2HB PHE 17 2HB PHE 17 4.458 -3.694 3.344 137 HD1 PHE 17 1HD PHE 17 5.371 -1.393 2.059 138 HD2 PHE 17 2HD PHE 17 5.068 -2.045 6.240 139 HE1 PHE 17 1HE PHE 17 7.167 0.318 2.455 140 HE2 PHE 17 2HE PHE 17 6.863 -0.335 6.638 141 HZ PHE 17 HZ PHE 17 7.891 0.825 4.740 142 H ALA 18 H ALA 18 1.419 -3.213 1.120 143 HA ALA 18 HA ALA 18 -0.415 -4.671 2.855 144 1HB ALA 18 1HB ALA 18 -1.948 -4.486 1.126 145 2HB ALA 18 2HB ALA 18 -0.972 -3.024 0.846 146 3HB ALA 18 3HB ALA 18 -0.691 -4.484 -0.135 147 H LYS 19 H LYS 19 -0.903 -6.934 2.468 148 HA LYS 19 HA LYS 19 1.293 -8.309 1.081 149 1HB LYS 19 1HB LYS 19 0.831 -8.367 3.780 150 2HB LYS 19 2HB LYS 19 -0.087 -9.762 3.251 151 1HG LYS 19 1HG LYS 19 1.795 -10.953 2.744 152 2HG LYS 19 2HG LYS 19 2.532 -9.601 1.908 153 1HD LYS 19 1HD LYS 19 3.985 -9.613 3.684 154 2HD LYS 19 2HD LYS 19 2.724 -8.692 4.479 155 1HE LYS 19 1HE LYS 19 3.262 -10.464 6.000 156 2HE LYS 19 2HE LYS 19 1.738 -10.932 5.273 157 1HZ LYS 19 1HZ LYS 19 2.697 -12.642 4.255 158 2HZ LYS 19 2HZ LYS 19 4.038 -11.815 3.825 159 3HZ LYS 19 3HZ LYS 19 3.918 -12.456 5.323 160 H MET 20 H MET 20 0.751 -9.933 -0.361 161 HA MET 20 HA MET 20 -2.117 -10.423 -0.604 162 1HB MET 20 1HB MET 20 -1.018 -8.908 -2.404 163 2HB MET 20 2HB MET 20 -0.094 -10.311 -2.905 164 1HG MET 20 1HG MET 20 -1.852 -11.103 -4.107 165 2HG MET 20 2HG MET 20 -2.888 -11.073 -2.694 166 1HE MET 20 1HE MET 20 -4.534 -10.919 -4.289 167 2HE MET 20 2HE MET 20 -5.433 -9.391 -4.127 168 3HE MET 20 3HE MET 20 -4.600 -9.778 -5.654 169 H LYS 21 H LYS 21 -2.741 -12.557 -1.360 170 HA LYS 21 HA LYS 21 -1.186 -14.609 -0.322 171 1HB LYS 21 1HB LYS 21 -3.608 -14.449 -2.084 172 2HB LYS 21 2HB LYS 21 -2.816 -15.997 -1.870 173 1HG LYS 21 1HG LYS 21 -3.239 -14.438 0.643 174 2HG LYS 21 2HG LYS 21 -4.707 -14.976 -0.149 175 1HD LYS 21 1HD LYS 21 -2.523 -17.016 0.072 176 2HD LYS 21 2HD LYS 21 -3.265 -16.529 1.583 177 1HE LYS 21 1HE LYS 21 -5.451 -16.879 -0.174 178 2HE LYS 21 2HE LYS 21 -4.366 -18.197 -0.574 179 1HZ LYS 21 1HZ LYS 21 -4.332 -18.837 1.708 180 2HZ LYS 21 2HZ LYS 21 -5.219 -17.544 2.161 181 3HZ LYS 21 3HZ LYS 21 -5.890 -18.713 1.238 182 H GLY 22 H GLY 22 0.652 -15.543 -1.031 183 1HA GLY 22 1HA GLY 22 1.953 -16.630 -2.606 184 2HA GLY 22 2HA GLY 22 1.054 -15.871 -3.904 185 H TYR 23 H TYR 23 1.304 -13.189 -2.279 186 HA TYR 23 HA TYR 23 4.067 -12.637 -3.133 187 1HB TYR 23 1HB TYR 23 1.721 -11.674 -4.187 188 2HB TYR 23 2HB TYR 23 1.860 -10.563 -2.839 189 HD1 TYR 23 1HD TYR 23 4.624 -11.975 -4.921 190 HD2 TYR 23 2HD TYR 23 2.330 -8.513 -3.895 191 HE1 TYR 23 1HE TYR 23 6.203 -10.519 -6.280 192 HE2 TYR 23 2HE TYR 23 3.917 -7.067 -5.258 193 HH TYR 23 HH TYR 23 5.488 -7.142 -6.860 194 HA PRO 24 HA PRO 24 4.643 -11.449 1.009 195 1HB PRO 24 1HB PRO 24 7.179 -10.452 0.795 196 2HB PRO 24 2HB PRO 24 6.834 -12.160 0.979 197 1HG PRO 24 1HG PRO 24 7.674 -10.691 -1.444 198 2HG PRO 24 2HG PRO 24 7.735 -12.413 -1.129 199 1HD PRO 24 1HD PRO 24 5.825 -11.035 -2.766 200 2HD PRO 24 2HD PRO 24 5.818 -12.740 -2.356 201 H HIS 25 H HIS 25 5.409 -9.501 2.375 202 HA HIS 25 HA HIS 25 3.716 -7.482 2.000 203 1HB HIS 25 1HB HIS 25 6.081 -7.955 3.536 204 2HB HIS 25 2HB HIS 25 6.149 -6.310 2.937 205 HD1 HIS 25 1HD HIS 25 5.180 -7.909 5.859 206 HD2 HIS 25 2HD HIS 25 3.187 -5.200 3.351 207 HE1 HIS 25 1HE HIS 25 3.346 -6.840 7.275 208 H TRP 26 H TRP 26 3.388 -5.798 0.609 209 HA TRP 26 HA TRP 26 5.642 -4.981 -1.064 210 1HB TRP 26 1HB TRP 26 3.635 -6.653 -2.009 211 2HB TRP 26 2HB TRP 26 3.128 -5.061 -2.535 212 HD1 TRP 26 HD TRP 26 4.328 -4.141 -4.691 213 HE1 TRP 26 1HE TRP 26 6.345 -4.828 -6.249 214 HE3 TRP 26 3HE TRP 26 6.042 -7.884 -1.707 215 HZ2 TRP 26 2HZ TRP 26 8.384 -6.816 -6.062 216 HZ3 TRP 26 3HZ TRP 26 8.051 -9.149 -2.468 217 HH2 TRP 26 HH TRP 26 9.212 -8.668 -4.564 218 HA PRO 27 HA PRO 27 3.981 -1.088 -0.091 219 1HB PRO 27 1HB PRO 27 4.992 0.468 -2.098 220 2HB PRO 27 2HB PRO 27 5.926 -0.016 -0.696 221 1HG PRO 27 1HG PRO 27 6.075 -1.038 -3.466 222 2HG PRO 27 2HG PRO 27 7.253 -1.188 -2.176 223 1HD PRO 27 1HD PRO 27 5.457 -3.223 -3.105 224 2HD PRO 27 2HD PRO 27 6.552 -3.334 -1.740 225 H ALA 28 H ALA 28 1.797 -1.068 -0.068 226 HA ALA 28 HA ALA 28 0.642 -0.394 -2.684 227 1HB ALA 28 1HB ALA 28 -1.073 -1.874 -0.774 228 2HB ALA 28 2HB ALA 28 -0.884 -2.071 -2.531 229 3HB ALA 28 3HB ALA 28 0.298 -2.806 -1.422 230 H ARG 29 H ARG 29 -1.016 1.178 -2.654 231 HA ARG 29 HA ARG 29 -0.984 2.731 -0.237 232 1HB ARG 29 1HB ARG 29 -0.671 3.705 -2.607 233 2HB ARG 29 2HB ARG 29 -2.374 3.386 -2.879 234 1HG ARG 29 1HG ARG 29 -3.063 5.106 -1.503 235 2HG ARG 29 2HG ARG 29 -1.775 4.841 -0.344 236 1HD ARG 29 1HD ARG 29 -1.040 6.853 -1.252 237 2HD ARG 29 2HD ARG 29 -0.233 5.748 -2.349 238 HE ARG 29 HE ARG 29 -2.885 6.326 -3.323 239 1HH1 ARG 29 2HH2 ARG 29 0.312 7.762 -3.010 240 2HH1 ARG 29 1HH2 ARG 29 0.107 8.822 -4.365 241 1HH2 ARG 29 2HH1 ARG 29 -3.153 7.722 -5.111 242 2HH2 ARG 29 1HH1 ARG 29 -1.877 8.799 -5.568 243 H ILE 30 H ILE 30 -3.126 3.699 0.558 244 HA ILE 30 HA ILE 30 -5.104 1.576 0.606 245 HB ILE 30 HB ILE 30 -4.057 3.058 2.569 246 1HG1 ILE 30 1HG1 ILE 30 -5.443 1.061 2.836 247 2HG1 ILE 30 2HG1 ILE 30 -5.911 2.320 3.962 248 1HG2 ILE 30 1HG2 ILE 30 -5.795 4.705 3.302 249 2HG2 ILE 30 2HG2 ILE 30 -4.868 5.190 1.862 250 3HG2 ILE 30 3HG2 ILE 30 -6.525 4.568 1.685 251 1HD1 ILE 30 1HD1 ILE 30 -7.454 1.108 1.753 252 2HD1 ILE 30 2HD1 ILE 30 -8.029 1.969 3.202 253 3HD1 ILE 30 3HD1 ILE 30 -7.520 2.887 1.764 254 H ASP 31 H ASP 31 -7.278 1.825 -0.045 255 HA ASP 31 HA ASP 31 -8.038 4.339 -1.176 256 1HB ASP 31 1HB ASP 31 -7.472 1.869 -2.821 257 2HB ASP 31 2HB ASP 31 -8.820 2.884 -3.296 258 H GLU 32 H GLU 32 -10.395 4.457 -1.370 259 HA GLU 32 HA GLU 32 -11.699 2.282 0.027 260 1HB GLU 32 1HB GLU 32 -13.520 3.882 0.425 261 2HB GLU 32 2HB GLU 32 -11.989 4.587 0.903 262 1HG GLU 32 1HG GLU 32 -12.004 6.149 -0.809 263 2HG GLU 32 2HG GLU 32 -12.798 5.070 -1.938 264 H MET 33 H MET 33 -14.139 1.957 -0.746 265 HA MET 33 HA MET 33 -13.922 1.051 -3.411 266 1HB MET 33 1HB MET 33 -16.348 0.359 -2.981 267 2HB MET 33 2HB MET 33 -15.222 -0.226 -1.772 268 1HG MET 33 1HG MET 33 -16.039 2.356 -0.871 269 2HG MET 33 2HG MET 33 -17.500 1.571 -1.437 270 1HE MET 33 1HE MET 33 -18.853 0.802 0.155 271 2HE MET 33 2HE MET 33 -18.468 0.026 1.710 272 3HE MET 33 3HE MET 33 -18.137 1.759 1.474 273 HA PRO 34 HA PRO 34 -15.444 4.814 -5.108 274 1HB PRO 34 1HB PRO 34 -14.921 4.232 -7.726 275 2HB PRO 34 2HB PRO 34 -13.737 4.942 -6.647 276 1HG PRO 34 1HG PRO 34 -13.911 2.162 -7.636 277 2HG PRO 34 2HG PRO 34 -12.540 2.990 -6.924 278 1HD PRO 34 1HD PRO 34 -14.236 1.062 -5.644 279 2HD PRO 34 2HD PRO 34 -12.939 1.977 -4.899 280 H GLU 35 H GLU 35 -17.042 5.532 -6.841 281 HA GLU 35 HA GLU 35 -18.884 3.400 -7.420 282 1HB GLU 35 1HB GLU 35 -20.815 4.526 -6.412 283 2HB GLU 35 2HB GLU 35 -19.606 4.210 -5.183 284 1HG GLU 35 1HG GLU 35 -18.745 6.649 -5.789 285 2HG GLU 35 2HG GLU 35 -20.346 6.850 -6.472 286 H ALA 36 H ALA 36 -17.085 5.004 -9.035 287 HA ALA 36 HA ALA 36 -18.558 7.143 -10.205 288 1HB ALA 36 1HB ALA 36 -16.139 7.185 -10.199 289 2HB ALA 36 2HB ALA 36 -16.061 5.607 -11.021 290 3HB ALA 36 3HB ALA 36 -16.682 7.033 -11.888 291 H ALA 37 H ALA 37 -17.177 4.431 -12.110 292 HA ALA 37 HA ALA 37 -19.782 4.219 -13.437 293 1HB ALA 37 1HB ALA 37 -16.917 3.956 -14.273 294 2HB ALA 37 2HB ALA 37 -18.115 2.926 -15.094 295 3HB ALA 37 3HB ALA 37 -18.292 4.697 -15.127 296 H VAL 38 H VAL 38 -18.609 2.947 -10.798 297 HA VAL 38 HA VAL 38 -19.627 0.300 -11.438 298 HB VAL 38 HB VAL 38 -17.104 0.359 -11.683 299 1HG1 VAL 38 1HG1 VAL 38 -15.731 0.402 -9.705 300 2HG1 VAL 38 2HG1 VAL 38 -16.721 1.881 -9.729 301 3HG1 VAL 38 3HG1 VAL 38 -17.162 0.534 -8.653 302 1HG2 VAL 38 1HG2 VAL 38 -16.985 -1.837 -11.071 303 2HG2 VAL 38 2HG2 VAL 38 -17.731 -1.550 -9.479 304 3HG2 VAL 38 3HG2 VAL 38 -18.747 -1.622 -10.939 305 H LYS 39 H LYS 39 -19.632 -0.977 -9.137 306 HA LYS 39 HA LYS 39 -20.811 0.952 -7.266 307 1HB LYS 39 1HB LYS 39 -21.438 -1.997 -7.594 308 2HB LYS 39 2HB LYS 39 -22.225 -0.883 -6.493 309 1HG LYS 39 1HG LYS 39 -23.720 -0.778 -8.269 310 2HG LYS 39 2HG LYS 39 -22.652 0.535 -8.720 311 1HD LYS 39 1HD LYS 39 -23.120 -1.014 -10.633 312 2HD LYS 39 2HD LYS 39 -21.411 -0.911 -10.260 313 1HE LYS 39 1HE LYS 39 -21.296 -3.092 -9.487 314 2HE LYS 39 2HE LYS 39 -22.909 -3.052 -8.802 315 1HZ LYS 39 1HZ LYS 39 -22.742 -4.464 -10.754 316 2HZ LYS 39 2HZ LYS 39 -23.815 -3.255 -10.990 317 3HZ LYS 39 3HZ LYS 39 -22.337 -3.182 -11.682 318 H SER 40 H SER 40 -20.860 -0.392 -4.925 319 HA SER 40 HA SER 40 -18.069 -1.144 -4.536 320 1HB SER 40 1HB SER 40 -18.260 -0.081 -2.251 321 2HB SER 40 2HB SER 40 -18.338 1.057 -3.581 322 HG SER 40 HG SER 40 -20.137 0.710 -1.618 323 H THR 41 H THR 41 -17.779 -2.462 -2.412 324 HA THR 41 HA THR 41 -20.153 -4.169 -2.029 325 HB THR 41 HB THR 41 -17.180 -4.919 -2.045 326 HG1 THR 41 1HG THR 41 -17.832 -5.811 -4.104 327 1HG2 THR 41 1HG2 THR 41 -18.248 -7.263 -2.284 328 2HG2 THR 41 2HG2 THR 41 -18.341 -6.536 -0.662 329 3HG2 THR 41 3HG2 THR 41 -19.765 -6.518 -1.730 330 H ALA 42 H ALA 42 -19.847 -5.518 0.118 331 HA ALA 42 HA ALA 42 -19.328 -3.490 2.162 332 1HB ALA 42 1HB ALA 42 -21.523 -5.071 1.699 333 2HB ALA 42 2HB ALA 42 -20.640 -6.040 2.903 334 3HB ALA 42 3HB ALA 42 -21.105 -4.364 3.277 335 H ASN 43 H ASN 43 -18.279 -4.228 4.207 336 HA ASN 43 HA ASN 43 -16.405 -4.918 5.104 337 1HB ASN 43 1HB ASN 43 -16.253 -7.456 5.322 338 2HB ASN 43 2HB ASN 43 -17.824 -6.799 5.736 339 1HD2 ASN 43 1HD2 ASN 43 -19.565 -7.002 4.308 340 2HD2 ASN 43 2HD2 ASN 43 -19.612 -8.205 3.063 341 H LYS 44 H LYS 44 -15.156 -3.852 3.226 342 HA LYS 44 HA LYS 44 -13.147 -5.548 2.308 343 1HB LYS 44 1HB LYS 44 -13.576 -5.840 0.014 344 2HB LYS 44 2HB LYS 44 -15.056 -6.320 0.822 345 1HG LYS 44 1HG LYS 44 -16.241 -4.727 -0.273 346 2HG LYS 44 2HG LYS 44 -15.167 -3.468 0.303 347 1HD LYS 44 1HD LYS 44 -14.187 -5.233 -1.939 348 2HD LYS 44 2HD LYS 44 -15.406 -4.034 -2.317 349 1HE LYS 44 1HE LYS 44 -13.979 -2.226 -1.446 350 2HE LYS 44 2HE LYS 44 -12.797 -3.383 -0.869 351 1HZ LYS 44 1HZ LYS 44 -12.154 -3.879 -2.998 352 2HZ LYS 44 2HZ LYS 44 -13.539 -3.356 -3.689 353 3HZ LYS 44 3HZ LYS 44 -12.452 -2.277 -3.121 354 H TYR 45 H TYR 45 -11.401 -4.339 1.448 355 HA TYR 45 HA TYR 45 -11.919 -1.447 1.291 356 1HB TYR 45 1HB TYR 45 -10.341 -3.077 3.118 357 2HB TYR 45 2HB TYR 45 -9.207 -2.194 2.115 358 HD1 TYR 45 1HD TYR 45 -12.545 -0.924 3.145 359 HD2 TYR 45 2HD TYR 45 -8.318 -0.739 3.783 360 HE1 TYR 45 1HE TYR 45 -12.848 1.133 4.609 361 HE2 TYR 45 2HE TYR 45 -8.636 1.319 5.243 362 HH TYR 45 HH TYR 45 -10.639 2.198 6.699 363 H GLN 46 H GLN 46 -10.496 -0.244 -0.128 364 HA GLN 46 HA GLN 46 -9.595 -1.923 -2.292 365 1HB GLN 46 1HB GLN 46 -10.937 0.509 -2.205 366 2HB GLN 46 2HB GLN 46 -9.302 1.010 -2.584 367 1HG GLN 46 1HG GLN 46 -10.366 -1.352 -4.104 368 2HG GLN 46 2HG GLN 46 -11.079 0.203 -4.479 369 1HE2 GLN 46 1HE2 GLN 46 -9.653 1.978 -5.029 370 2HE2 GLN 46 2HE2 GLN 46 -8.168 1.675 -5.867 371 H VAL 47 H VAL 47 -7.455 -2.309 -2.771 372 HA VAL 47 HA VAL 47 -5.481 -0.613 -1.417 373 HB VAL 47 HB VAL 47 -5.991 -3.478 -1.123 374 1HG1 VAL 47 1HG1 VAL 47 -3.169 -2.540 -1.737 375 2HG1 VAL 47 2HG1 VAL 47 -3.588 -4.113 -1.017 376 3HG1 VAL 47 3HG1 VAL 47 -4.134 -3.714 -2.665 377 1HG2 VAL 47 1HG2 VAL 47 -5.955 -1.861 0.739 378 2HG2 VAL 47 2HG2 VAL 47 -4.747 -3.150 0.955 379 3HG2 VAL 47 3HG2 VAL 47 -4.235 -1.533 0.414 380 H PHE 48 H PHE 48 -4.209 0.363 -2.898 381 HA PHE 48 HA PHE 48 -4.106 -0.829 -5.554 382 1HB PHE 48 1HB PHE 48 -4.722 1.640 -4.983 383 2HB PHE 48 2HB PHE 48 -3.059 1.851 -4.466 384 HD1 PHE 48 1HD PHE 48 -4.238 -0.091 -7.401 385 HD2 PHE 48 2HD PHE 48 -2.284 3.416 -6.030 386 HE1 PHE 48 1HE PHE 48 -3.575 0.461 -9.759 387 HE2 PHE 48 2HE PHE 48 -1.621 3.968 -8.388 388 HZ PHE 48 HZ PHE 48 -2.274 2.483 -10.224 389 H PHE 49 H PHE 49 -2.448 -2.233 -5.905 390 HA PHE 49 HA PHE 49 -0.047 -1.998 -4.338 391 1HB PHE 49 1HB PHE 49 -1.445 -3.882 -6.199 392 2HB PHE 49 2HB PHE 49 0.298 -3.915 -6.378 393 HD1 PHE 49 1HD PHE 49 1.521 -5.330 -5.022 394 HD2 PHE 49 2HD PHE 49 -2.301 -4.046 -3.700 395 HE1 PHE 49 1HE PHE 49 1.699 -6.849 -3.033 396 HE2 PHE 49 2HE PHE 49 -2.123 -5.565 -1.711 397 HZ PHE 49 HZ PHE 49 -0.126 -6.949 -1.401 398 H PHE 50 H PHE 50 1.698 -0.796 -4.909 399 HA PHE 50 HA PHE 50 1.769 0.413 -7.496 400 1HB PHE 50 1HB PHE 50 3.297 0.403 -4.879 401 2HB PHE 50 2HB PHE 50 4.178 0.969 -6.284 402 HD1 PHE 50 1HD PHE 50 2.840 2.754 -7.746 403 HD2 PHE 50 2HD PHE 50 2.137 1.960 -3.637 404 HE1 PHE 50 1HE PHE 50 1.799 5.025 -7.486 405 HE2 PHE 50 2HE PHE 50 1.095 4.230 -3.376 406 HZ PHE 50 HZ PHE 50 0.940 5.734 -5.304 407 H GLY 51 H GLY 51 3.315 -2.342 -5.846 408 1HA GLY 51 1HA GLY 51 5.557 -2.694 -7.448 409 2HA GLY 51 2HA GLY 51 4.687 -3.954 -6.596 410 H THR 52 H THR 52 2.285 -4.265 -7.765 411 HA THR 52 HA THR 52 3.002 -5.216 -10.401 412 HB THR 52 HB THR 52 0.516 -6.064 -10.137 413 HG1 THR 52 1HG THR 52 0.322 -4.384 -8.327 414 1HG2 THR 52 1HG2 THR 52 1.470 -7.988 -9.354 415 2HG2 THR 52 2HG2 THR 52 2.987 -7.080 -9.144 416 3HG2 THR 52 3HG2 THR 52 1.836 -7.214 -7.793 417 H HIS 53 H HIS 53 1.535 -2.397 -8.992 418 HA HIS 53 HA HIS 53 0.757 -0.565 -9.921 419 1HB HIS 53 1HB HIS 53 2.534 -1.398 -11.774 420 2HB HIS 53 2HB HIS 53 1.073 -1.455 -12.741 421 HD1 HIS 53 1HD HIS 53 2.528 1.103 -10.260 422 HD2 HIS 53 2HD HIS 53 0.753 0.901 -14.056 423 HE1 HIS 53 1HE HIS 53 2.428 3.500 -11.131 424 H GLU 54 H GLU 54 -0.965 -2.707 -9.158 425 HA GLU 54 HA GLU 54 -3.177 -2.071 -10.917 426 1HB GLU 54 1HB GLU 54 -3.944 -4.399 -10.990 427 2HB GLU 54 2HB GLU 54 -2.322 -4.291 -11.646 428 1HG GLU 54 1HG GLU 54 -1.331 -5.262 -9.710 429 2HG GLU 54 2HG GLU 54 -2.722 -4.912 -8.703 430 H THR 55 H THR 55 -5.345 -2.660 -9.835 431 HA THR 55 HA THR 55 -5.096 -2.031 -6.988 432 HB THR 55 HB THR 55 -6.928 -1.378 -9.218 433 HG1 THR 55 1HG THR 55 -6.437 -0.479 -6.465 434 1HG2 THR 55 1HG2 THR 55 -8.783 -1.051 -7.328 435 2HG2 THR 55 2HG2 THR 55 -8.692 -2.593 -8.215 436 3HG2 THR 55 3HG2 THR 55 -7.984 -2.460 -6.588 437 H ALA 56 H ALA 56 -5.274 -3.561 -5.486 438 HA ALA 56 HA ALA 56 -6.790 -5.966 -6.242 439 1HB ALA 56 1HB ALA 56 -4.468 -6.551 -6.102 440 2HB ALA 56 2HB ALA 56 -4.258 -5.626 -4.595 441 3HB ALA 56 3HB ALA 56 -5.228 -7.120 -4.596 442 H PHE 57 H PHE 57 -8.413 -6.619 -4.859 443 HA PHE 57 HA PHE 57 -9.190 -4.734 -2.861 444 1HB PHE 57 1HB PHE 57 -11.125 -6.316 -2.694 445 2HB PHE 57 2HB PHE 57 -10.755 -6.012 -4.379 446 HD1 PHE 57 1HD PHE 57 -10.748 -8.493 -1.710 447 HD2 PHE 57 2HD PHE 57 -9.716 -7.749 -5.759 448 HE1 PHE 57 1HE PHE 57 -10.527 -10.961 -2.106 449 HE2 PHE 57 2HE PHE 57 -9.496 -10.218 -6.154 450 HZ PHE 57 HZ PHE 57 -9.904 -11.794 -4.324 451 H LEU 58 H LEU 58 -8.294 -4.684 -0.855 452 HA LEU 58 HA LEU 58 -7.860 -7.267 0.450 453 1HB LEU 58 1HB LEU 58 -5.895 -5.006 0.164 454 2HB LEU 58 2HB LEU 58 -5.801 -6.142 1.494 455 HG LEU 58 HG LEU 58 -5.481 -6.706 -1.456 456 1HD1 LEU 58 1HD1 LEU 58 -3.271 -7.051 -1.044 457 2HD1 LEU 58 2HD1 LEU 58 -3.610 -5.867 0.240 458 3HD1 LEU 58 3HD1 LEU 58 -3.547 -7.603 0.625 459 1HD2 LEU 58 1HD2 LEU 58 -6.530 -8.656 -1.062 460 2HD2 LEU 58 2HD2 LEU 58 -4.986 -9.111 -0.302 461 3HD2 LEU 58 3HD2 LEU 58 -6.336 -8.530 0.703 462 H GLY 59 H GLY 59 -7.308 -6.670 2.949 463 1HA GLY 59 1HA GLY 59 -9.381 -4.713 3.743 464 2HA GLY 59 2HA GLY 59 -9.092 -6.235 4.564 465 HA PRO 60 HA PRO 60 -6.577 -3.226 6.779 466 1HB PRO 60 1HB PRO 60 -7.285 -3.996 9.305 467 2HB PRO 60 2HB PRO 60 -8.102 -2.716 8.427 468 1HG PRO 60 1HG PRO 60 -9.017 -5.475 8.960 469 2HG PRO 60 2HG PRO 60 -9.961 -4.080 8.475 470 1HD PRO 60 1HD PRO 60 -9.143 -6.263 6.805 471 2HD PRO 60 2HD PRO 60 -9.984 -4.814 6.297 472 H LYS 61 H LYS 61 -7.035 -6.606 7.652 473 HA LYS 61 HA LYS 61 -4.585 -6.924 8.903 474 1HB LYS 61 1HB LYS 61 -4.934 -9.330 8.478 475 2HB LYS 61 2HB LYS 61 -6.358 -8.542 9.124 476 1HG LYS 61 1HG LYS 61 -7.055 -8.233 6.602 477 2HG LYS 61 2HG LYS 61 -5.845 -9.458 6.274 478 1HD LYS 61 1HD LYS 61 -7.608 -10.892 6.632 479 2HD LYS 61 2HD LYS 61 -7.142 -10.705 8.311 480 1HE LYS 61 1HE LYS 61 -8.793 -8.494 7.922 481 2HE LYS 61 2HE LYS 61 -9.552 -9.699 6.902 482 1HZ LYS 61 1HZ LYS 61 -9.038 -11.101 9.098 483 2HZ LYS 61 2HZ LYS 61 -9.319 -9.631 9.751 484 3HZ LYS 61 3HZ LYS 61 -10.455 -10.339 8.816 485 H ASP 62 H ASP 62 -5.519 -7.390 5.434 486 HA ASP 62 HA ASP 62 -3.114 -8.289 4.547 487 1HB ASP 62 1HB ASP 62 -5.377 -6.710 3.342 488 2HB ASP 62 2HB ASP 62 -3.898 -6.816 2.409 489 H LEU 63 H LEU 63 -4.067 -5.132 5.740 490 HA LEU 63 HA LEU 63 -1.711 -3.878 4.541 491 1HB LEU 63 1HB LEU 63 -4.383 -3.024 5.043 492 2HB LEU 63 2HB LEU 63 -3.309 -2.047 6.024 493 HG LEU 63 HG LEU 63 -2.243 -1.107 4.191 494 1HD1 LEU 63 1HD1 LEU 63 -3.035 -3.607 2.745 495 2HD1 LEU 63 2HD1 LEU 63 -2.702 -2.127 1.814 496 3HD1 LEU 63 3HD1 LEU 63 -1.448 -2.812 2.874 497 1HD2 LEU 63 1HD2 LEU 63 -5.029 -1.607 3.115 498 2HD2 LEU 63 2HD2 LEU 63 -4.633 -0.429 4.387 499 3HD2 LEU 63 3HD2 LEU 63 -3.956 -0.235 2.752 500 H PHE 64 H PHE 64 0.084 -3.491 5.736 501 HA PHE 64 HA PHE 64 -0.239 -3.542 8.647 502 1HB PHE 64 1HB PHE 64 1.088 -5.425 6.863 503 2HB PHE 64 2HB PHE 64 2.338 -4.586 7.759 504 HD1 PHE 64 1HD PHE 64 -1.006 -6.089 8.510 505 HD2 PHE 64 2HD PHE 64 3.055 -5.656 9.657 506 HE1 PHE 64 1HE PHE 64 -1.401 -7.600 10.474 507 HE2 PHE 64 2HE PHE 64 2.661 -7.167 11.622 508 HZ PHE 64 HZ PHE 64 0.439 -8.121 12.007 509 HA PRO 65 HA PRO 65 2.184 0.050 8.294 510 1HB PRO 65 1HB PRO 65 2.656 0.515 10.945 511 2HB PRO 65 2HB PRO 65 1.175 0.990 10.137 512 1HG PRO 65 1HG PRO 65 1.628 -1.257 12.003 513 2HG PRO 65 2HG PRO 65 0.114 -0.512 11.527 514 1HD PRO 65 1HD PRO 65 1.159 -3.019 10.606 515 2HD PRO 65 2HD PRO 65 -0.296 -2.220 10.044 516 H TYR 66 H TYR 66 4.329 1.055 9.095 517 HA TYR 66 HA TYR 66 6.292 -0.906 8.454 518 1HB TYR 66 1HB TYR 66 6.625 1.396 7.758 519 2HB TYR 66 2HB TYR 66 6.108 2.024 9.309 520 HD1 TYR 66 1HD TYR 66 8.920 0.824 7.342 521 HD2 TYR 66 2HD TYR 66 7.652 1.912 11.280 522 HE1 TYR 66 1HE TYR 66 11.347 1.031 8.074 523 HE2 TYR 66 2HE TYR 66 10.082 2.116 11.999 524 HH TYR 66 HH TYR 66 12.651 2.060 9.701 525 H GLU 67 H GLU 67 5.144 0.719 11.446 526 HA GLU 67 HA GLU 67 7.212 0.083 13.091 527 1HB GLU 67 1HB GLU 67 4.254 0.497 13.494 528 2HB GLU 67 2HB GLU 67 5.197 -0.085 14.850 529 1HG GLU 67 1HG GLU 67 6.847 1.889 14.231 530 2HG GLU 67 2HG GLU 67 5.481 2.532 13.342 531 H GLU 68 H GLU 68 4.268 -1.890 12.311 532 HA GLU 68 HA GLU 68 5.119 -4.030 13.930 533 1HB GLU 68 1HB GLU 68 2.754 -3.284 12.653 534 2HB GLU 68 2HB GLU 68 3.249 -4.699 11.742 535 1HG GLU 68 1HG GLU 68 2.599 -6.066 13.429 536 2HG GLU 68 2HG GLU 68 3.671 -5.249 14.550 537 H SER 69 H SER 69 5.173 -3.349 10.375 538 HA SER 69 HA SER 69 6.154 -5.769 9.572 539 1HB SER 69 1HB SER 69 6.521 -4.747 7.504 540 2HB SER 69 2HB SER 69 5.363 -3.649 8.227 541 HG SER 69 HG SER 69 7.781 -3.036 7.296 542 H LYS 70 H LYS 70 7.918 -2.773 10.600 543 HA LYS 70 HA LYS 70 10.480 -3.886 10.192 544 1HB LYS 70 1HB LYS 70 11.301 -1.882 11.090 545 2HB LYS 70 2HB LYS 70 9.814 -1.428 10.281 546 1HG LYS 70 1HG LYS 70 8.962 -0.627 12.221 547 2HG LYS 70 2HG LYS 70 9.142 -2.195 12.981 548 1HD LYS 70 1HD LYS 70 11.372 -1.697 13.742 549 2HD LYS 70 2HD LYS 70 11.513 -0.313 12.677 550 1HE LYS 70 1HE LYS 70 9.488 0.679 14.005 551 2HE LYS 70 2HE LYS 70 9.817 -0.570 15.190 552 1HZ LYS 70 1HZ LYS 70 12.242 0.504 14.679 553 2HZ LYS 70 2HZ LYS 70 11.258 1.807 14.663 554 3HZ LYS 70 3HZ LYS 70 11.306 0.838 15.976 555 H GLU 71 H GLU 71 8.036 -4.221 12.672 556 HA GLU 71 HA GLU 71 9.706 -4.777 14.814 557 1HB GLU 71 1HB GLU 71 7.112 -4.367 14.680 558 2HB GLU 71 2HB GLU 71 7.005 -6.099 14.435 559 1HG GLU 71 1HG GLU 71 8.486 -6.334 16.556 560 2HG GLU 71 2HG GLU 71 8.170 -4.632 16.838 561 H LYS 72 H LYS 72 8.314 -6.846 12.213 562 HA LYS 72 HA LYS 72 9.757 -9.129 13.323 563 1HB LYS 72 1HB LYS 72 7.550 -9.744 12.896 564 2HB LYS 72 2HB LYS 72 7.453 -8.808 11.418 565 1HG LYS 72 1HG LYS 72 9.353 -10.433 10.555 566 2HG LYS 72 2HG LYS 72 8.845 -11.464 11.878 567 1HD LYS 72 1HD LYS 72 7.252 -12.261 10.463 568 2HD LYS 72 2HD LYS 72 6.409 -10.747 10.727 569 1HE LYS 72 1HE LYS 72 7.484 -9.733 8.763 570 2HE LYS 72 2HE LYS 72 8.517 -11.134 8.551 571 1HZ LYS 72 1HZ LYS 72 5.598 -11.046 8.256 572 2HZ LYS 72 2HZ LYS 72 6.704 -11.329 7.087 573 3HZ LYS 72 3HZ LYS 72 6.454 -12.439 8.261 574 H PHE 73 H PHE 73 9.117 -7.779 10.005 575 HA PHE 73 HA PHE 73 11.981 -8.112 9.493 576 1HB PHE 73 1HB PHE 73 9.661 -9.512 8.383 577 2HB PHE 73 2HB PHE 73 10.381 -8.546 7.109 578 HD1 PHE 73 1HD PHE 73 10.958 -11.310 9.460 579 HD2 PHE 73 2HD PHE 73 12.531 -9.104 6.193 580 HE1 PHE 73 1HE PHE 73 12.704 -13.080 9.105 581 HE2 PHE 73 2HE PHE 73 14.276 -10.873 5.839 582 HZ PHE 73 HZ PHE 73 14.342 -12.839 7.299 583 H GLY 74 H GLY 74 8.975 -6.986 7.772 584 1HA GLY 74 1HA GLY 74 8.436 -4.924 7.002 585 2HA GLY 74 2HA GLY 74 9.845 -4.253 7.799 586 H LYS 75 H LYS 75 11.054 -6.871 6.129 587 HA LYS 75 HA LYS 75 11.453 -5.284 3.689 588 1HB LYS 75 1HB LYS 75 13.591 -7.052 4.875 589 2HB LYS 75 2HB LYS 75 13.749 -5.813 3.645 590 1HG LYS 75 1HG LYS 75 13.600 -4.048 5.198 591 2HG LYS 75 2HG LYS 75 12.704 -5.004 6.363 592 1HD LYS 75 1HD LYS 75 14.689 -6.264 6.988 593 2HD LYS 75 2HD LYS 75 15.607 -5.607 5.648 594 1HE LYS 75 1HE LYS 75 15.434 -3.318 6.642 595 2HE LYS 75 2HE LYS 75 14.502 -3.965 7.978 596 1HZ LYS 75 1HZ LYS 75 16.601 -4.006 8.803 597 2HZ LYS 75 2HZ LYS 75 16.535 -5.520 8.192 598 3HZ LYS 75 3HZ LYS 75 17.318 -4.343 7.375 599 HA PRO 76 HA PRO 76 9.714 -9.133 2.342 600 1HB PRO 76 1HB PRO 76 8.457 -8.139 0.130 601 2HB PRO 76 2HB PRO 76 7.695 -8.229 1.705 602 1HG PRO 76 1HG PRO 76 8.768 -5.860 0.300 603 2HG PRO 76 2HG PRO 76 7.647 -5.923 1.645 604 1HD PRO 76 1HD PRO 76 10.435 -5.266 1.764 605 2HD PRO 76 2HD PRO 76 9.341 -5.442 3.121 606 H ASN 77 H ASN 77 9.711 -10.326 0.129 607 HA ASN 77 HA ASN 77 12.308 -10.706 -0.509 608 1HB ASN 77 1HB ASN 77 9.743 -11.107 -2.106 609 2HB ASN 77 2HB ASN 77 11.293 -11.567 -2.786 610 1HD2 ASN 77 1HD2 ASN 77 10.874 -11.656 0.647 611 2HD2 ASN 77 2HD2 ASN 77 10.772 -13.373 0.854 612 H LYS 78 H LYS 78 13.796 -9.659 -1.890 613 HA LYS 78 HA LYS 78 12.927 -7.155 -3.037 614 1HB LYS 78 1HB LYS 78 15.380 -8.270 -2.003 615 2HB LYS 78 2HB LYS 78 15.651 -7.660 -3.624 616 1HG LYS 78 1HG LYS 78 14.027 -5.934 -1.768 617 2HG LYS 78 2HG LYS 78 15.742 -6.064 -1.437 618 1HD LYS 78 1HD LYS 78 16.158 -5.478 -3.904 619 2HD LYS 78 2HD LYS 78 14.447 -5.124 -4.033 620 1HE LYS 78 1HE LYS 78 14.824 -3.049 -3.202 621 2HE LYS 78 2HE LYS 78 15.352 -3.760 -1.691 622 1HZ LYS 78 1HZ LYS 78 17.192 -2.637 -2.366 623 2HZ LYS 78 2HZ LYS 78 17.531 -4.105 -2.996 624 3HZ LYS 78 3HZ LYS 78 16.961 -2.916 -3.959 625 H ARG 79 H ARG 79 11.511 -7.880 -4.717 626 HA ARG 79 HA ARG 79 12.788 -9.491 -6.747 627 1HB ARG 79 1HB ARG 79 9.894 -8.555 -6.412 628 2HB ARG 79 2HB ARG 79 10.448 -9.539 -7.752 629 1HG ARG 79 1HG ARG 79 10.860 -10.386 -4.852 630 2HG ARG 79 2HG ARG 79 9.397 -10.780 -5.732 631 1HD ARG 79 1HD ARG 79 10.755 -11.946 -7.481 632 2HD ARG 79 2HD ARG 79 12.225 -11.538 -6.619 633 HE ARG 79 HE ARG 79 11.790 -13.271 -5.112 634 1HH1 ARG 79 2HH2 ARG 79 8.815 -12.458 -6.807 635 2HH1 ARG 79 1HH2 ARG 79 7.918 -13.776 -6.129 636 1HH2 ARG 79 2HH1 ARG 79 10.606 -15.011 -4.217 637 2HH2 ARG 79 1HH1 ARG 79 8.944 -15.237 -4.646 638 H LYS 80 H LYS 80 11.577 -8.668 -9.096 639 HA LYS 80 HA LYS 80 12.989 -6.290 -9.671 640 1HB LYS 80 1HB LYS 80 11.436 -8.325 -11.128 641 2HB LYS 80 2HB LYS 80 11.323 -6.720 -11.821 642 1HG LYS 80 1HG LYS 80 13.460 -6.806 -12.594 643 2HG LYS 80 2HG LYS 80 14.081 -7.282 -11.025 644 1HD LYS 80 1HD LYS 80 12.596 -9.349 -12.647 645 2HD LYS 80 2HD LYS 80 14.221 -8.924 -13.145 646 1HE LYS 80 1HE LYS 80 13.700 -9.553 -10.229 647 2HE LYS 80 2HE LYS 80 13.814 -10.875 -11.374 648 1HZ LYS 80 1HZ LYS 80 15.965 -10.548 -10.700 649 2HZ LYS 80 2HZ LYS 80 15.942 -9.699 -12.095 650 3HZ LYS 80 3HZ LYS 80 15.856 -8.918 -10.662 651 H GLY 81 H GLY 81 9.521 -7.106 -9.123 652 1HA GLY 81 1HA GLY 81 8.619 -4.440 -9.675 653 2HA GLY 81 2HA GLY 81 7.697 -5.768 -8.996 654 H PHE 82 H PHE 82 10.353 -5.849 -7.078 655 HA PHE 82 HA PHE 82 9.012 -4.394 -4.996 656 1HB PHE 82 1HB PHE 82 10.095 -6.596 -4.594 657 2HB PHE 82 2HB PHE 82 11.604 -6.023 -5.278 658 HD1 PHE 82 1HD PHE 82 12.625 -3.905 -4.038 659 HD2 PHE 82 2HD PHE 82 9.888 -6.640 -2.297 660 HE1 PHE 82 1HE PHE 82 13.405 -3.228 -1.751 661 HE2 PHE 82 2HE PHE 82 10.668 -5.962 -0.009 662 HZ PHE 82 HZ PHE 82 12.416 -4.265 0.237 663 H SER 83 H SER 83 12.194 -4.244 -6.733 664 HA SER 83 HA SER 83 13.069 -2.011 -5.307 665 1HB SER 83 1HB SER 83 14.140 -3.788 -7.190 666 2HB SER 83 2HB SER 83 14.143 -2.258 -8.042 667 HG SER 83 HG SER 83 16.094 -2.369 -6.915 668 H GLU 84 H GLU 84 11.627 -2.411 -8.620 669 HA GLU 84 HA GLU 84 11.602 0.349 -9.110 670 1HB GLU 84 1HB GLU 84 10.674 -0.210 -11.174 671 2HB GLU 84 2HB GLU 84 11.466 -1.714 -10.748 672 1HG GLU 84 1HG GLU 84 9.252 -2.489 -9.724 673 2HG GLU 84 2HG GLU 84 8.508 -1.050 -10.394 674 H GLY 85 H GLY 85 9.297 -1.980 -7.677 675 1HA GLY 85 1HA GLY 85 6.990 -0.379 -7.760 676 2HA GLY 85 2HA GLY 85 7.311 -1.707 -6.662 677 H LEU 86 H LEU 86 9.418 -0.934 -5.101 678 HA LEU 86 HA LEU 86 8.239 0.857 -3.325 679 1HB LEU 86 1HB LEU 86 9.653 -0.542 -2.263 680 2HB LEU 86 2HB LEU 86 10.801 -0.589 -3.586 681 HG LEU 86 HG LEU 86 11.727 0.425 -1.542 682 1HD1 LEU 86 1HD1 LEU 86 11.890 2.830 -3.090 683 2HD1 LEU 86 2HD1 LEU 86 13.093 1.533 -2.891 684 3HD1 LEU 86 3HD1 LEU 86 11.875 1.427 -4.186 685 1HD2 LEU 86 1HD2 LEU 86 10.559 1.835 -0.296 686 2HD2 LEU 86 2HD2 LEU 86 10.548 3.017 -1.626 687 3HD2 LEU 86 3HD2 LEU 86 9.242 1.815 -1.495 688 H TRP 87 H TRP 87 10.310 1.320 -6.148 689 HA TRP 87 HA TRP 87 10.939 4.040 -5.390 690 1HB TRP 87 1HB TRP 87 12.058 2.074 -7.102 691 2HB TRP 87 2HB TRP 87 11.578 3.422 -8.113 692 HD1 TRP 87 HD TRP 87 12.854 5.810 -7.640 693 HE1 TRP 87 1HE TRP 87 15.151 6.469 -6.519 694 HE3 TRP 87 3HE TRP 87 13.560 1.377 -5.253 695 HZ2 TRP 87 2HZ TRP 87 16.964 5.093 -4.798 696 HZ3 TRP 87 3HZ TRP 87 15.619 1.116 -3.872 697 HH2 TRP 87 HH TRP 87 17.288 2.884 -3.625 698 H GLU 88 H GLU 88 8.475 2.188 -7.040 699 HA GLU 88 HA GLU 88 7.653 4.260 -8.770 700 1HB GLU 88 1HB GLU 88 6.718 1.536 -8.008 701 2HB GLU 88 2HB GLU 88 5.451 2.626 -8.533 702 1HG GLU 88 1HG GLU 88 7.189 3.179 -10.500 703 2HG GLU 88 2HG GLU 88 7.836 1.604 -10.080 704 H ILE 89 H ILE 89 7.198 3.512 -5.383 705 HA ILE 89 HA ILE 89 4.887 5.301 -5.249 706 HB ILE 89 HB ILE 89 4.328 3.388 -4.127 707 1HG1 ILE 89 1HG1 ILE 89 4.166 5.470 -2.699 708 2HG1 ILE 89 2HG1 ILE 89 4.125 3.941 -1.844 709 1HG2 ILE 89 1HG2 ILE 89 7.240 3.189 -3.493 710 2HG2 ILE 89 2HG2 ILE 89 6.077 2.393 -2.405 711 3HG2 ILE 89 3HG2 ILE 89 6.116 1.967 -4.133 712 1HD1 ILE 89 1HD1 ILE 89 6.882 4.628 -2.041 713 2HD1 ILE 89 2HD1 ILE 89 6.028 6.121 -1.586 714 3HD1 ILE 89 3HD1 ILE 89 5.860 4.661 -0.582 715 H GLU 90 H GLU 90 8.245 4.789 -4.048 716 HA GLU 90 HA GLU 90 8.166 7.180 -2.529 717 1HB GLU 90 1HB GLU 90 10.205 5.080 -3.193 718 2HB GLU 90 2HB GLU 90 10.813 6.641 -2.676 719 1HG GLU 90 1HG GLU 90 8.817 6.231 -0.816 720 2HG GLU 90 2HG GLU 90 9.314 4.578 -1.124 721 H ASN 91 H ASN 91 9.082 6.221 -5.824 722 HA ASN 91 HA ASN 91 9.683 9.025 -6.320 723 1HB ASN 91 1HB ASN 91 11.095 6.706 -7.726 724 2HB ASN 91 2HB ASN 91 11.502 8.407 -7.834 725 1HD2 ASN 91 1HD2 ASN 91 10.911 5.963 -5.303 726 2HD2 ASN 91 2HD2 ASN 91 12.280 6.340 -4.312 727 H ASN 92 H ASN 92 7.268 8.840 -6.921 728 HA ASN 92 HA ASN 92 6.587 7.162 -9.084 729 1HB ASN 92 1HB ASN 92 4.463 8.666 -9.069 730 2HB ASN 92 2HB ASN 92 4.791 7.754 -7.609 731 1HD2 ASN 92 1HD2 ASN 92 5.029 10.887 -9.174 732 2HD2 ASN 92 2HD2 ASN 92 5.128 11.864 -7.747 733 HA PRO 93 HA PRO 93 7.908 10.014 -12.171 734 1HB PRO 93 1HB PRO 93 6.929 8.735 -14.379 735 2HB PRO 93 2HB PRO 93 8.451 8.312 -13.623 736 1HG PRO 93 1HG PRO 93 5.868 6.881 -13.513 737 2HG PRO 93 2HG PRO 93 7.471 6.281 -13.138 738 1HD PRO 93 1HD PRO 93 5.438 7.033 -11.261 739 2HD PRO 93 2HD PRO 93 7.079 6.545 -10.888 740 H THR 94 H THR 94 4.631 8.795 -12.724 741 HA THR 94 HA THR 94 3.753 11.582 -12.797 742 HB THR 94 HB THR 94 3.409 9.495 -15.005 743 HG1 THR 94 1HG THR 94 4.214 12.311 -14.944 744 1HG2 THR 94 1HG2 THR 94 2.049 11.270 -16.151 745 2HG2 THR 94 2HG2 THR 94 1.230 10.660 -14.693 746 3HG2 THR 94 3HG2 THR 94 2.070 12.230 -14.652 747 H VAL 95 H VAL 95 3.169 10.757 -10.568 748 HA VAL 95 HA VAL 95 1.350 8.734 -10.163 749 HB VAL 95 HB VAL 95 2.499 9.734 -8.350 750 1HG1 VAL 95 1HG1 VAL 95 1.458 12.281 -9.493 751 2HG1 VAL 95 2HG1 VAL 95 1.607 12.191 -7.722 752 3HG1 VAL 95 3HG1 VAL 95 3.033 11.913 -8.750 753 1HG2 VAL 95 1HG2 VAL 95 0.692 9.071 -7.196 754 2HG2 VAL 95 2HG2 VAL 95 0.246 10.794 -7.145 755 3HG2 VAL 95 3HG2 VAL 95 -0.433 9.735 -8.405 756 H LYS 96 H LYS 96 -0.401 8.485 -11.506 757 HA LYS 96 HA LYS 96 -1.838 10.629 -12.581 758 1HB LYS 96 1HB LYS 96 -3.404 8.942 -13.326 759 2HB LYS 96 2HB LYS 96 -1.763 8.374 -13.556 760 1HG LYS 96 1HG LYS 96 -2.067 6.618 -12.140 761 2HG LYS 96 2HG LYS 96 -2.748 7.642 -10.893 762 1HD LYS 96 1HD LYS 96 -4.965 7.536 -11.902 763 2HD LYS 96 2HD LYS 96 -4.338 6.764 -13.344 764 1HE LYS 96 1HE LYS 96 -4.744 4.753 -12.376 765 2HE LYS 96 2HE LYS 96 -3.473 5.101 -11.222 766 1HZ LYS 96 1HZ LYS 96 -5.501 6.500 -10.230 767 2HZ LYS 96 2HZ LYS 96 -6.307 5.237 -10.881 768 3HZ LYS 96 3HZ LYS 96 -5.135 4.975 -9.774 769 H ALA 97 H ALA 97 -2.032 8.872 -9.498 770 HA ALA 97 HA ALA 97 -4.622 9.825 -8.828 771 1HB ALA 97 1HB ALA 97 -3.648 9.138 -6.460 772 2HB ALA 97 2HB ALA 97 -4.031 7.897 -7.677 773 3HB ALA 97 3HB ALA 97 -2.347 8.424 -7.442 774 H SER 98 H SER 98 -5.127 11.414 -7.138 775 HA SER 98 HA SER 98 -3.900 13.812 -7.581 776 1HB SER 98 1HB SER 98 -5.291 14.677 -5.846 777 2HB SER 98 2HB SER 98 -6.188 13.336 -6.533 778 HG SER 98 HG SER 98 -5.425 13.687 -3.963 779 H GLY 99 H GLY 99 -2.213 14.973 -6.591 780 1HA GLY 99 1HA GLY 99 -0.309 13.429 -5.094 781 2HA GLY 99 2HA GLY 99 -0.173 15.099 -5.608 782 H TYR 100 H TYR 100 0.540 15.952 -3.616 783 HA TYR 100 HA TYR 100 -1.563 16.104 -1.590 784 1HB TYR 100 1HB TYR 100 -0.243 14.781 -0.209 785 2HB TYR 100 2HB TYR 100 0.913 14.586 -1.511 786 HD1 TYR 100 1HD TYR 100 3.095 15.077 -0.927 787 HD2 TYR 100 2HD TYR 100 -0.066 17.356 0.842 788 HE1 TYR 100 1HE TYR 100 4.797 16.429 0.390 789 HE2 TYR 100 2HE TYR 100 1.649 18.700 2.153 790 HH TYR 100 HH TYR 100 5.034 18.446 1.483 Start of MODEL 19 1 H MET 1 H MET 1 -4.635 19.660 26.840 2 HA MET 1 HA MET 1 -7.070 19.081 26.050 3 1HB MET 1 1HB MET 1 -7.457 21.661 26.385 4 2HB MET 1 2HB MET 1 -6.531 21.869 24.912 5 1HG MET 1 1HG MET 1 -8.259 21.163 23.585 6 2HG MET 1 2HG MET 1 -8.628 19.805 24.629 7 1HE MET 1 1HE MET 1 -11.780 20.567 25.923 8 2HE MET 1 2HE MET 1 -11.655 20.752 24.156 9 3HE MET 1 3HE MET 1 -10.648 19.550 24.999 10 H SER 2 H SER 2 -6.565 17.662 24.443 11 HA SER 2 HA SER 2 -5.338 18.494 22.098 12 1HB SER 2 1HB SER 2 -3.221 17.114 22.284 13 2HB SER 2 2HB SER 2 -3.238 18.559 23.277 14 HG SER 2 HG SER 2 -3.059 15.903 24.042 15 H ARG 3 H ARG 3 -5.096 16.622 20.546 16 HA ARG 3 HA ARG 3 -7.119 14.716 21.135 17 1HB ARG 3 1HB ARG 3 -6.866 14.042 18.793 18 2HB ARG 3 2HB ARG 3 -6.829 15.793 18.868 19 1HG ARG 3 1HG ARG 3 -4.295 15.690 18.883 20 2HG ARG 3 2HG ARG 3 -4.397 13.953 18.674 21 1HD ARG 3 1HD ARG 3 -5.195 14.118 16.472 22 2HD ARG 3 2HD ARG 3 -5.927 15.688 16.735 23 HE ARG 3 HE ARG 3 -3.237 15.201 15.821 24 1HH1 ARG 3 2HH2 ARG 3 -5.095 17.382 17.864 25 2HH1 ARG 3 1HH2 ARG 3 -4.001 18.710 17.659 26 1HH2 ARG 3 2HH1 ARG 3 -1.795 16.952 15.550 27 2HH2 ARG 3 1HH1 ARG 3 -2.111 18.464 16.334 28 H SER 4 H SER 4 -6.708 12.296 20.606 29 HA SER 4 HA SER 4 -4.160 11.595 21.810 30 1HB SER 4 1HB SER 4 -5.185 9.643 22.648 31 2HB SER 4 2HB SER 4 -6.448 10.850 22.785 32 HG SER 4 HG SER 4 -6.620 8.519 21.528 33 H ASN 5 H ASN 5 -2.953 9.717 20.912 34 HA ASN 5 HA ASN 5 -2.878 9.867 18.109 35 1HB ASN 5 1HB ASN 5 -1.010 8.308 18.289 36 2HB ASN 5 2HB ASN 5 -0.893 9.412 19.645 37 1HD2 ASN 5 1HD2 ASN 5 -1.894 6.211 18.604 38 2HD2 ASN 5 2HD2 ASN 5 -1.823 5.424 20.146 39 H ARG 6 H ARG 6 -3.272 8.040 16.592 40 HA ARG 6 HA ARG 6 -5.346 6.305 17.622 41 1HB ARG 6 1HB ARG 6 -6.037 6.019 15.301 42 2HB ARG 6 2HB ARG 6 -5.765 7.729 15.562 43 1HG ARG 6 1HG ARG 6 -3.236 6.844 14.781 44 2HG ARG 6 2HG ARG 6 -4.297 5.833 13.818 45 1HD ARG 6 1HD ARG 6 -4.121 7.701 12.423 46 2HD ARG 6 2HD ARG 6 -5.566 8.120 13.320 47 HE ARG 6 HE ARG 6 -3.623 9.211 14.902 48 1HH1 ARG 6 2HH2 ARG 6 -4.183 9.387 11.433 49 2HH1 ARG 6 1HH2 ARG 6 -3.473 10.958 11.269 50 1HH2 ARG 6 2HH1 ARG 6 -2.686 11.284 14.686 51 2HH2 ARG 6 1HH1 ARG 6 -2.616 12.046 13.132 52 H GLN 7 H GLN 7 -5.332 4.090 16.069 53 HA GLN 7 HA GLN 7 -2.711 2.974 16.631 54 1HB GLN 7 1HB GLN 7 -3.990 0.753 16.348 55 2HB GLN 7 2HB GLN 7 -4.389 1.722 17.752 56 1HG GLN 7 1HG GLN 7 -5.953 2.050 15.168 57 2HG GLN 7 2HG GLN 7 -6.339 0.749 16.277 58 1HE2 GLN 7 1HE2 GLN 7 -7.048 3.830 15.420 59 2HE2 GLN 7 2HE2 GLN 7 -7.756 4.438 16.880 60 H LYS 8 H LYS 8 -4.584 0.996 14.551 61 HA LYS 8 HA LYS 8 -2.752 1.520 12.391 62 1HB LYS 8 1HB LYS 8 -4.015 -0.435 11.356 63 2HB LYS 8 2HB LYS 8 -3.090 -0.761 12.808 64 1HG LYS 8 1HG LYS 8 -5.469 -1.735 12.745 65 2HG LYS 8 2HG LYS 8 -5.046 -0.834 14.186 66 1HD LYS 8 1HD LYS 8 -6.259 1.127 13.435 67 2HD LYS 8 2HD LYS 8 -6.442 0.479 11.816 68 1HE LYS 8 1HE LYS 8 -7.622 -0.901 14.269 69 2HE LYS 8 2HE LYS 8 -8.504 0.310 13.358 70 1HZ LYS 8 1HZ LYS 8 -7.323 -2.025 12.046 71 2HZ LYS 8 2HZ LYS 8 -8.821 -2.071 12.698 72 3HZ LYS 8 3HZ LYS 8 -8.492 -1.034 11.481 73 H GLU 9 H GLU 9 -5.040 3.421 13.376 74 HA GLU 9 HA GLU 9 -7.013 3.502 11.491 75 1HB GLU 9 1HB GLU 9 -6.063 5.144 13.621 76 2HB GLU 9 2HB GLU 9 -6.209 6.197 12.227 77 1HG GLU 9 1HG GLU 9 -8.550 4.787 11.995 78 2HG GLU 9 2HG GLU 9 -8.341 4.731 13.734 79 H TYR 10 H TYR 10 -7.194 4.225 9.375 80 HA TYR 10 HA TYR 10 -5.016 5.800 8.266 81 1HB TYR 10 1HB TYR 10 -5.061 4.047 6.320 82 2HB TYR 10 2HB TYR 10 -4.277 3.524 7.797 83 HD1 TYR 10 1HD TYR 10 -7.767 3.578 6.393 84 HD2 TYR 10 2HD TYR 10 -4.760 1.369 8.485 85 HE1 TYR 10 1HE TYR 10 -9.316 1.565 6.508 86 HE2 TYR 10 2HE TYR 10 -6.318 -0.636 8.595 87 HH TYR 10 HH TYR 10 -8.627 -1.125 8.510 88 H LYS 11 H LYS 11 -5.563 6.573 6.009 89 HA LYS 11 HA LYS 11 -8.361 6.386 5.317 90 1HB LYS 11 1HB LYS 11 -7.223 8.719 6.699 91 2HB LYS 11 2HB LYS 11 -8.025 9.121 5.196 92 1HG LYS 11 1HG LYS 11 -9.492 7.156 6.891 93 2HG LYS 11 2HG LYS 11 -9.319 8.747 7.606 94 1HD LYS 11 1HD LYS 11 -11.224 9.179 6.382 95 2HD LYS 11 2HD LYS 11 -10.062 9.518 5.116 96 1HE LYS 11 1HE LYS 11 -10.245 6.953 4.559 97 2HE LYS 11 2HE LYS 11 -11.703 6.994 5.529 98 1HZ LYS 11 1HZ LYS 11 -11.249 8.888 3.341 99 2HZ LYS 11 2HZ LYS 11 -11.963 7.438 3.103 100 3HZ LYS 11 3HZ LYS 11 -12.658 8.539 4.089 101 H CYS 12 H CYS 12 -8.754 7.574 3.174 102 HA CYS 12 HA CYS 12 -7.184 6.615 1.241 103 1HB CYS 12 1HB CYS 12 -9.418 7.863 1.056 104 2HB CYS 12 2HB CYS 12 -8.478 9.338 0.973 105 HG CYS 12 HG CYS 12 -8.819 6.830 -1.070 106 H GLY 13 H GLY 13 -5.039 6.882 0.725 107 1HA GLY 13 1HA GLY 13 -3.350 8.429 -0.015 108 2HA GLY 13 2HA GLY 13 -3.818 9.517 1.278 109 H ASP 14 H ASP 14 -4.181 6.629 2.781 110 HA ASP 14 HA ASP 14 -1.700 6.912 4.113 111 1HB ASP 14 1HB ASP 14 -3.665 6.290 5.398 112 2HB ASP 14 2HB ASP 14 -4.015 4.943 4.334 113 H LEU 15 H LEU 15 0.197 5.820 3.558 114 HA LEU 15 HA LEU 15 -0.058 3.633 1.636 115 1HB LEU 15 1HB LEU 15 1.671 5.881 1.889 116 2HB LEU 15 2HB LEU 15 2.643 4.435 2.078 117 HG LEU 15 HG LEU 15 2.667 5.084 -0.226 118 1HD1 LEU 15 1HD1 LEU 15 0.930 2.649 0.242 119 2HD1 LEU 15 2HD1 LEU 15 1.681 3.063 -1.318 120 3HD1 LEU 15 3HD1 LEU 15 2.702 2.713 0.098 121 1HD2 LEU 15 1HD2 LEU 15 -0.351 4.865 -0.311 122 2HD2 LEU 15 2HD2 LEU 15 0.530 6.401 -0.121 123 3HD2 LEU 15 3HD2 LEU 15 0.748 5.425 -1.594 124 H VAL 16 H VAL 16 0.820 1.579 2.027 125 HA VAL 16 HA VAL 16 2.352 1.067 4.363 126 HB VAL 16 HB VAL 16 0.407 -0.601 5.107 127 1HG1 VAL 16 1HG1 VAL 16 -0.049 2.122 6.169 128 2HG1 VAL 16 2HG1 VAL 16 0.395 0.617 7.009 129 3HG1 VAL 16 3HG1 VAL 16 1.647 1.577 6.186 130 1HG2 VAL 16 1HG2 VAL 16 -1.779 0.259 4.896 131 2HG2 VAL 16 2HG2 VAL 16 -1.197 1.831 4.297 132 3HG2 VAL 16 3HG2 VAL 16 -1.079 0.387 3.265 133 H PHE 17 H PHE 17 2.365 -1.541 4.637 134 HA PHE 17 HA PHE 17 2.911 -2.477 1.943 135 1HB PHE 17 1HB PHE 17 3.830 -2.886 4.727 136 2HB PHE 17 2HB PHE 17 3.515 -4.427 3.954 137 HD1 PHE 17 1HD PHE 17 4.594 -4.746 1.587 138 HD2 PHE 17 2HD PHE 17 5.891 -1.868 4.424 139 HE1 PHE 17 1HE PHE 17 6.829 -4.633 0.452 140 HE2 PHE 17 2HE PHE 17 8.126 -1.756 3.287 141 HZ PHE 17 HZ PHE 17 8.568 -3.140 1.315 142 H ALA 18 H ALA 18 1.229 -3.429 0.882 143 HA ALA 18 HA ALA 18 -0.568 -5.103 2.495 144 1HB ALA 18 1HB ALA 18 -2.303 -4.306 1.260 145 2HB ALA 18 2HB ALA 18 -1.190 -2.965 0.897 146 3HB ALA 18 3HB ALA 18 -1.362 -4.315 -0.252 147 H LYS 19 H LYS 19 -0.584 -7.277 2.131 148 HA LYS 19 HA LYS 19 0.992 -8.198 -0.167 149 1HB LYS 19 1HB LYS 19 1.939 -9.742 1.150 150 2HB LYS 19 2HB LYS 19 1.391 -8.736 2.477 151 1HG LYS 19 1HG LYS 19 -0.881 -10.139 2.146 152 2HG LYS 19 2HG LYS 19 0.209 -11.306 1.426 153 1HD LYS 19 1HD LYS 19 1.614 -10.641 3.704 154 2HD LYS 19 2HD LYS 19 -0.030 -10.438 4.271 155 1HE LYS 19 1HE LYS 19 -0.483 -12.782 3.186 156 2HE LYS 19 2HE LYS 19 1.261 -12.947 3.137 157 1HZ LYS 19 1HZ LYS 19 1.072 -12.251 5.591 158 2HZ LYS 19 2HZ LYS 19 -0.479 -12.747 5.458 159 3HZ LYS 19 3HZ LYS 19 0.741 -13.795 5.169 160 H MET 20 H MET 20 0.216 -10.285 -1.172 161 HA MET 20 HA MET 20 -2.679 -10.499 -0.948 162 1HB MET 20 1HB MET 20 -1.730 -9.150 -3.009 163 2HB MET 20 2HB MET 20 -1.179 -10.703 -3.604 164 1HG MET 20 1HG MET 20 -3.279 -11.303 -4.264 165 2HG MET 20 2HG MET 20 -3.975 -10.858 -2.719 166 1HE MET 20 1HE MET 20 -5.102 -9.082 -6.369 167 2HE MET 20 2HE MET 20 -4.606 -10.706 -5.838 168 3HE MET 20 3HE MET 20 -6.037 -9.933 -5.116 169 H LYS 21 H LYS 21 -3.517 -12.607 -1.956 170 HA LYS 21 HA LYS 21 -2.149 -14.756 -0.850 171 1HB LYS 21 1HB LYS 21 -4.518 -14.845 -1.147 172 2HB LYS 21 2HB LYS 21 -4.390 -14.579 -2.875 173 1HG LYS 21 1HG LYS 21 -4.143 -16.800 -3.251 174 2HG LYS 21 2HG LYS 21 -2.754 -16.866 -2.184 175 1HD LYS 21 1HD LYS 21 -4.043 -18.152 -0.817 176 2HD LYS 21 2HD LYS 21 -4.860 -16.667 -0.374 177 1HE LYS 21 1HE LYS 21 -6.275 -17.157 -2.597 178 2HE LYS 21 2HE LYS 21 -5.732 -18.800 -2.331 179 1HZ LYS 21 1HZ LYS 21 -7.830 -17.665 -1.128 180 2HZ LYS 21 2HZ LYS 21 -7.060 -18.998 -0.585 181 3HZ LYS 21 3HZ LYS 21 -6.689 -17.532 0.033 182 H GLY 22 H GLY 22 -0.307 -15.739 -1.467 183 1HA GLY 22 1HA GLY 22 1.076 -16.856 -2.914 184 2HA GLY 22 2HA GLY 22 0.163 -16.257 -4.284 185 H TYR 23 H TYR 23 0.383 -13.443 -2.785 186 HA TYR 23 HA TYR 23 3.025 -12.847 -3.928 187 1HB TYR 23 1HB TYR 23 0.633 -11.874 -4.682 188 2HB TYR 23 2HB TYR 23 0.759 -10.912 -3.223 189 HD1 TYR 23 1HD TYR 23 3.493 -11.845 -5.595 190 HD2 TYR 23 2HD TYR 23 1.017 -8.723 -4.041 191 HE1 TYR 23 1HE TYR 23 4.875 -10.118 -6.846 192 HE2 TYR 23 2HE TYR 23 2.407 -7.004 -5.299 193 HH TYR 23 HH TYR 23 5.090 -8.037 -7.386 194 HA PRO 24 HA PRO 24 4.251 -11.786 0.101 195 1HB PRO 24 1HB PRO 24 6.678 -10.675 -0.481 196 2HB PRO 24 2HB PRO 24 6.427 -12.404 -0.327 197 1HG PRO 24 1HG PRO 24 6.798 -10.795 -2.780 198 2HG PRO 24 2HG PRO 24 6.971 -12.526 -2.565 199 1HD PRO 24 1HD PRO 24 4.766 -11.160 -3.791 200 2HD PRO 24 2HD PRO 24 4.888 -12.879 -3.472 201 H HIS 25 H HIS 25 4.579 -10.039 1.590 202 HA HIS 25 HA HIS 25 2.934 -7.972 1.207 203 1HB HIS 25 1HB HIS 25 5.082 -8.634 3.001 204 2HB HIS 25 2HB HIS 25 5.148 -6.920 2.646 205 HD1 HIS 25 1HD HIS 25 2.042 -6.398 2.420 206 HD2 HIS 25 2HD HIS 25 3.929 -8.522 5.507 207 HE1 HIS 25 1HE HIS 25 0.471 -6.286 4.428 208 H TRP 26 H TRP 26 2.749 -6.410 -0.312 209 HA TRP 26 HA TRP 26 5.255 -5.405 -1.480 210 1HB TRP 26 1HB TRP 26 3.165 -6.757 -2.778 211 2HB TRP 26 2HB TRP 26 2.953 -5.068 -3.193 212 HD1 TRP 26 HD TRP 26 4.236 -4.474 -5.379 213 HE1 TRP 26 1HE TRP 26 6.420 -5.208 -6.664 214 HE3 TRP 26 3HE TRP 26 5.723 -7.923 -1.952 215 HZ2 TRP 26 2HZ TRP 26 8.479 -7.107 -6.115 216 HZ3 TRP 26 3HZ TRP 26 7.831 -9.173 -2.403 217 HH2 TRP 26 HH TRP 26 9.193 -8.811 -4.399 218 HA PRO 27 HA PRO 27 3.775 -1.513 -0.250 219 1HB PRO 27 1HB PRO 27 4.912 0.165 -2.084 220 2HB PRO 27 2HB PRO 27 5.789 -0.497 -0.719 221 1HG PRO 27 1HG PRO 27 5.942 -1.264 -3.570 222 2HG PRO 27 2HG PRO 27 7.082 -1.595 -2.281 223 1HD PRO 27 1HD PRO 27 5.201 -3.435 -3.425 224 2HD PRO 27 2HD PRO 27 6.260 -3.731 -2.061 225 H ALA 28 H ALA 28 1.596 -1.379 -0.260 226 HA ALA 28 HA ALA 28 0.529 -0.446 -2.836 227 1HB ALA 28 1HB ALA 28 -1.182 -1.997 -0.921 228 2HB ALA 28 2HB ALA 28 -1.246 -1.915 -2.697 229 3HB ALA 28 3HB ALA 28 0.006 -2.893 -1.895 230 H ARG 29 H ARG 29 -1.236 1.090 -2.681 231 HA ARG 29 HA ARG 29 -1.107 2.504 -0.152 232 1HB ARG 29 1HB ARG 29 -2.022 4.451 -1.497 233 2HB ARG 29 2HB ARG 29 -0.464 3.882 -2.061 234 1HG ARG 29 1HG ARG 29 -1.478 2.664 -3.906 235 2HG ARG 29 2HG ARG 29 -3.089 2.901 -3.261 236 1HD ARG 29 1HD ARG 29 -3.230 5.085 -4.026 237 2HD ARG 29 2HD ARG 29 -1.532 5.411 -3.742 238 HE ARG 29 HE ARG 29 -1.601 3.531 -5.840 239 1HH1 ARG 29 2HH2 ARG 29 -2.780 6.798 -5.278 240 2HH1 ARG 29 1HH2 ARG 29 -2.694 7.253 -6.947 241 1HH2 ARG 29 2HH1 ARG 29 -1.487 4.130 -8.042 242 2HH2 ARG 29 1HH1 ARG 29 -1.954 5.725 -8.529 243 H ILE 30 H ILE 30 -3.126 3.345 0.804 244 HA ILE 30 HA ILE 30 -5.267 1.495 0.532 245 HB ILE 30 HB ILE 30 -4.315 3.015 2.539 246 1HG1 ILE 30 1HG1 ILE 30 -5.992 1.010 2.405 247 2HG1 ILE 30 2HG1 ILE 30 -5.940 2.032 3.828 248 1HG2 ILE 30 1HG2 ILE 30 -6.736 4.495 1.477 249 2HG2 ILE 30 2HG2 ILE 30 -6.046 4.705 3.104 250 3HG2 ILE 30 3HG2 ILE 30 -5.082 5.125 1.669 251 1HD1 ILE 30 1HD1 ILE 30 -7.937 3.167 3.256 252 2HD1 ILE 30 2HD1 ILE 30 -7.813 2.711 1.540 253 3HD1 ILE 30 3HD1 ILE 30 -8.268 1.492 2.755 254 H ASP 31 H ASP 31 -7.423 1.898 -0.203 255 HA ASP 31 HA ASP 31 -7.968 4.390 -1.451 256 1HB ASP 31 1HB ASP 31 -7.220 1.951 -3.038 257 2HB ASP 31 2HB ASP 31 -8.601 2.860 -3.621 258 H GLU 32 H GLU 32 -10.297 4.552 -1.919 259 HA GLU 32 HA GLU 32 -11.778 2.353 -0.725 260 1HB GLU 32 1HB GLU 32 -13.549 3.989 -0.281 261 2HB GLU 32 2HB GLU 32 -12.025 4.583 0.348 262 1HG GLU 32 1HG GLU 32 -11.952 6.343 -1.123 263 2HG GLU 32 2HG GLU 32 -12.518 5.375 -2.469 264 H MET 33 H MET 33 -14.184 2.255 -1.688 265 HA MET 33 HA MET 33 -13.820 1.562 -4.396 266 1HB MET 33 1HB MET 33 -16.233 0.902 -4.227 267 2HB MET 33 2HB MET 33 -15.329 0.316 -2.843 268 1HG MET 33 1HG MET 33 -16.986 1.309 -1.608 269 2HG MET 33 2HG MET 33 -16.107 2.793 -1.914 270 1HE MET 33 1HE MET 33 -17.983 3.916 -1.327 271 2HE MET 33 2HE MET 33 -18.093 4.929 -2.787 272 3HE MET 33 3HE MET 33 -19.533 4.069 -2.188 273 HA PRO 34 HA PRO 34 -15.050 5.376 -6.110 274 1HB PRO 34 1HB PRO 34 -15.156 4.637 -8.739 275 2HB PRO 34 2HB PRO 34 -13.668 5.084 -7.928 276 1HG PRO 34 1HG PRO 34 -14.623 2.394 -8.701 277 2HG PRO 34 2HG PRO 34 -12.998 2.906 -8.289 278 1HD PRO 34 1HD PRO 34 -14.809 1.440 -6.617 279 2HD PRO 34 2HD PRO 34 -13.230 2.052 -6.167 280 H GLU 35 H GLU 35 -16.731 6.347 -7.689 281 HA GLU 35 HA GLU 35 -19.071 4.691 -7.763 282 1HB GLU 35 1HB GLU 35 -20.498 6.288 -6.543 283 2HB GLU 35 2HB GLU 35 -19.220 5.684 -5.506 284 1HG GLU 35 1HG GLU 35 -17.968 7.719 -5.652 285 2HG GLU 35 2HG GLU 35 -18.848 8.265 -7.067 286 H ALA 36 H ALA 36 -17.068 6.181 -9.547 287 HA ALA 36 HA ALA 36 -18.517 8.355 -10.677 288 1HB ALA 36 1HB ALA 36 -16.555 8.718 -11.737 289 2HB ALA 36 2HB ALA 36 -15.906 7.407 -10.723 290 3HB ALA 36 3HB ALA 36 -16.491 7.055 -12.367 291 H ALA 37 H ALA 37 -17.431 5.315 -12.329 292 HA ALA 37 HA ALA 37 -19.425 5.467 -14.272 293 1HB ALA 37 1HB ALA 37 -18.651 3.259 -14.903 294 2HB ALA 37 2HB ALA 37 -17.241 4.219 -14.393 295 3HB ALA 37 3HB ALA 37 -17.933 3.001 -13.294 296 H VAL 38 H VAL 38 -19.148 3.292 -11.368 297 HA VAL 38 HA VAL 38 -22.070 3.306 -11.256 298 HB VAL 38 HB VAL 38 -22.107 0.909 -10.882 299 1HG1 VAL 38 1HG1 VAL 38 -21.169 0.224 -13.242 300 2HG1 VAL 38 2HG1 VAL 38 -22.557 1.332 -13.110 301 3HG1 VAL 38 3HG1 VAL 38 -20.930 1.977 -13.432 302 1HG2 VAL 38 1HG2 VAL 38 -19.872 0.638 -9.898 303 2HG2 VAL 38 2HG2 VAL 38 -20.125 -0.494 -11.248 304 3HG2 VAL 38 3HG2 VAL 38 -19.129 0.964 -11.482 305 H LYS 39 H LYS 39 -22.923 3.005 -9.117 306 HA LYS 39 HA LYS 39 -20.906 3.569 -7.073 307 1HB LYS 39 1HB LYS 39 -22.785 4.479 -5.772 308 2HB LYS 39 2HB LYS 39 -22.597 5.286 -7.316 309 1HG LYS 39 1HG LYS 39 -24.344 3.078 -7.796 310 2HG LYS 39 2HG LYS 39 -24.888 3.801 -6.295 311 1HD LYS 39 1HD LYS 39 -25.942 4.798 -8.382 312 2HD LYS 39 2HD LYS 39 -25.178 5.970 -7.326 313 1HE LYS 39 1HE LYS 39 -23.718 6.594 -8.953 314 2HE LYS 39 2HE LYS 39 -23.213 4.938 -9.218 315 1HZ LYS 39 1HZ LYS 39 -24.431 6.222 -11.057 316 2HZ LYS 39 2HZ LYS 39 -24.789 4.647 -10.818 317 3HZ LYS 39 3HZ LYS 39 -25.790 5.806 -10.253 318 H SER 40 H SER 40 -20.207 1.322 -6.959 319 HA SER 40 HA SER 40 -22.230 -0.341 -5.673 320 1HB SER 40 1HB SER 40 -21.703 -1.785 -7.347 321 2HB SER 40 2HB SER 40 -20.265 -0.886 -7.789 322 HG SER 40 HG SER 40 -19.124 -1.925 -6.029 323 H THR 41 H THR 41 -21.864 0.181 -3.491 324 HA THR 41 HA THR 41 -19.176 0.406 -2.491 325 HB THR 41 HB THR 41 -20.397 0.857 -0.359 326 HG1 THR 41 1HG THR 41 -22.195 -0.501 -0.451 327 1HG2 THR 41 1HG2 THR 41 -20.603 2.438 -2.662 328 2HG2 THR 41 2HG2 THR 41 -22.302 2.210 -2.182 329 3HG2 THR 41 3HG2 THR 41 -21.142 2.924 -1.036 330 H ALA 42 H ALA 42 -17.874 -1.194 -1.879 331 HA ALA 42 HA ALA 42 -19.140 -3.790 -1.371 332 1HB ALA 42 1HB ALA 42 -16.393 -2.933 -2.330 333 2HB ALA 42 2HB ALA 42 -16.724 -4.584 -1.753 334 3HB ALA 42 3HB ALA 42 -17.593 -3.945 -3.169 335 H ASN 43 H ASN 43 -18.426 -5.054 0.471 336 HA ASN 43 HA ASN 43 -17.839 -3.336 2.681 337 1HB ASN 43 1HB ASN 43 -18.214 -5.434 4.030 338 2HB ASN 43 2HB ASN 43 -19.554 -5.082 2.959 339 1HD2 ASN 43 1HD2 ASN 43 -19.887 -6.298 1.100 340 2HD2 ASN 43 2HD2 ASN 43 -19.185 -7.862 0.858 341 H LYS 44 H LYS 44 -15.605 -3.188 1.167 342 HA LYS 44 HA LYS 44 -13.661 -4.631 2.720 343 1HB LYS 44 1HB LYS 44 -12.495 -5.478 0.640 344 2HB LYS 44 2HB LYS 44 -13.947 -6.334 1.114 345 1HG LYS 44 1HG LYS 44 -14.382 -6.043 -1.156 346 2HG LYS 44 2HG LYS 44 -15.151 -4.603 -0.517 347 1HD LYS 44 1HD LYS 44 -12.783 -3.480 -0.856 348 2HD LYS 44 2HD LYS 44 -12.465 -4.844 -1.910 349 1HE LYS 44 1HE LYS 44 -14.901 -4.139 -2.888 350 2HE LYS 44 2HE LYS 44 -14.407 -2.576 -2.268 351 1HZ LYS 44 1HZ LYS 44 -13.613 -2.728 -4.441 352 2HZ LYS 44 2HZ LYS 44 -12.293 -2.948 -3.505 353 3HZ LYS 44 3HZ LYS 44 -12.998 -4.227 -4.236 354 H TYR 45 H TYR 45 -11.340 -3.952 1.670 355 HA TYR 45 HA TYR 45 -11.581 -1.048 1.281 356 1HB TYR 45 1HB TYR 45 -10.144 -1.176 3.113 357 2HB TYR 45 2HB TYR 45 -10.007 -2.915 2.942 358 HD1 TYR 45 1HD TYR 45 -7.772 -3.530 2.991 359 HD2 TYR 45 2HD TYR 45 -8.904 -0.060 0.758 360 HE1 TYR 45 1HE TYR 45 -5.376 -3.257 2.185 361 HE2 TYR 45 2HE TYR 45 -6.505 0.201 -0.039 362 HH TYR 45 HH TYR 45 -4.470 -0.510 0.124 363 H GLN 46 H GLN 46 -10.903 -0.179 -0.620 364 HA GLN 46 HA GLN 46 -9.943 -1.932 -2.613 365 1HB GLN 46 1HB GLN 46 -11.160 0.642 -2.491 366 2HB GLN 46 2HB GLN 46 -9.623 0.877 -3.299 367 1HG GLN 46 1HG GLN 46 -11.139 -1.535 -4.184 368 2HG GLN 46 2HG GLN 46 -11.920 -0.008 -4.546 369 1HE2 GLN 46 1HE2 GLN 46 -9.884 1.693 -5.011 370 2HE2 GLN 46 2HE2 GLN 46 -8.955 1.222 -6.394 371 H VAL 47 H VAL 47 -7.865 -2.688 -2.587 372 HA VAL 47 HA VAL 47 -5.792 -0.938 -1.525 373 HB VAL 47 HB VAL 47 -6.041 -3.251 -0.701 374 1HG1 VAL 47 1HG1 VAL 47 -6.100 -3.841 -3.544 375 2HG1 VAL 47 2HG1 VAL 47 -4.837 -4.787 -2.716 376 3HG1 VAL 47 3HG1 VAL 47 -6.525 -4.875 -2.158 377 1HG2 VAL 47 1HG2 VAL 47 -3.717 -1.884 -1.355 378 2HG2 VAL 47 2HG2 VAL 47 -3.840 -3.300 -0.284 379 3HG2 VAL 47 3HG2 VAL 47 -3.436 -3.517 -2.004 380 H PHE 48 H PHE 48 -4.060 -0.169 -2.751 381 HA PHE 48 HA PHE 48 -4.275 -0.722 -5.627 382 1HB PHE 48 1HB PHE 48 -4.464 1.711 -4.052 383 2HB PHE 48 2HB PHE 48 -2.953 1.796 -4.932 384 HD1 PHE 48 1HD PHE 48 -2.973 1.694 -7.425 385 HD2 PHE 48 2HD PHE 48 -6.553 1.978 -5.165 386 HE1 PHE 48 1HE PHE 48 -4.211 2.441 -9.478 387 HE2 PHE 48 2HE PHE 48 -7.791 2.725 -7.216 388 HZ PHE 48 HZ PHE 48 -6.605 2.947 -9.348 389 H PHE 49 H PHE 49 -2.640 -2.250 -5.865 390 HA PHE 49 HA PHE 49 -0.180 -1.986 -4.464 391 1HB PHE 49 1HB PHE 49 -1.501 -3.720 -6.562 392 2HB PHE 49 2HB PHE 49 0.250 -3.767 -6.533 393 HD1 PHE 49 1HD PHE 49 1.315 -5.252 -5.110 394 HD2 PHE 49 2HD PHE 49 -2.676 -4.097 -4.243 395 HE1 PHE 49 1HE PHE 49 1.240 -6.917 -3.232 396 HE2 PHE 49 2HE PHE 49 -2.750 -5.760 -2.367 397 HZ PHE 49 HZ PHE 49 -0.791 -7.150 -1.882 398 H PHE 50 H PHE 50 1.623 -0.855 -5.031 399 HA PHE 50 HA PHE 50 1.556 0.559 -7.550 400 1HB PHE 50 1HB PHE 50 3.063 0.557 -4.919 401 2HB PHE 50 2HB PHE 50 3.918 1.221 -6.298 402 HD1 PHE 50 1HD PHE 50 2.540 2.391 -3.595 403 HD2 PHE 50 2HD PHE 50 1.744 2.577 -7.759 404 HE1 PHE 50 1HE PHE 50 1.360 4.583 -3.272 405 HE2 PHE 50 2HE PHE 50 0.565 4.770 -7.436 406 HZ PHE 50 HZ PHE 50 0.388 5.747 -5.197 407 H GLY 51 H GLY 51 3.863 -1.612 -5.758 408 1HA GLY 51 1HA GLY 51 5.879 -1.900 -7.494 409 2HA GLY 51 2HA GLY 51 5.214 -3.239 -6.580 410 H THR 52 H THR 52 2.757 -3.764 -7.693 411 HA THR 52 HA THR 52 3.533 -4.775 -10.295 412 HB THR 52 HB THR 52 1.366 -6.038 -10.014 413 HG1 THR 52 1HG THR 52 0.143 -5.489 -8.137 414 1HG2 THR 52 1HG2 THR 52 2.420 -6.305 -7.257 415 2HG2 THR 52 2HG2 THR 52 2.310 -7.531 -8.543 416 3HG2 THR 52 3HG2 THR 52 3.691 -6.409 -8.499 417 H HIS 53 H HIS 53 1.629 -2.158 -8.913 418 HA HIS 53 HA HIS 53 0.688 -0.426 -9.896 419 1HB HIS 53 1HB HIS 53 2.588 -1.004 -11.687 420 2HB HIS 53 2HB HIS 53 1.193 -1.357 -12.687 421 HD1 HIS 53 1HD HIS 53 2.914 0.971 -13.544 422 HD2 HIS 53 2HD HIS 53 -0.296 1.398 -10.878 423 HE1 HIS 53 1HE HIS 53 2.214 3.422 -13.655 424 H GLU 54 H GLU 54 -0.762 -2.755 -9.113 425 HA GLU 54 HA GLU 54 -2.966 -2.516 -10.994 426 1HB GLU 54 1HB GLU 54 -1.816 -5.072 -9.821 427 2HB GLU 54 2HB GLU 54 -3.466 -4.998 -10.405 428 1HG GLU 54 1HG GLU 54 -1.575 -3.817 -12.330 429 2HG GLU 54 2HG GLU 54 -1.165 -5.478 -11.956 430 H THR 55 H THR 55 -5.113 -3.238 -9.931 431 HA THR 55 HA THR 55 -5.056 -2.351 -7.127 432 HB THR 55 HB THR 55 -6.664 -1.698 -9.489 433 HG1 THR 55 1HG THR 55 -7.256 -0.037 -7.800 434 1HG2 THR 55 1HG2 THR 55 -8.343 -3.267 -8.533 435 2HG2 THR 55 2HG2 THR 55 -8.116 -2.539 -6.924 436 3HG2 THR 55 3HG2 THR 55 -8.844 -1.584 -8.240 437 H ALA 56 H ALA 56 -6.703 -3.330 -5.666 438 HA ALA 56 HA ALA 56 -7.773 -5.866 -6.394 439 1HB ALA 56 1HB ALA 56 -5.326 -5.727 -4.592 440 2HB ALA 56 2HB ALA 56 -6.408 -7.137 -4.694 441 3HB ALA 56 3HB ALA 56 -5.491 -6.616 -6.126 442 H PHE 57 H PHE 57 -8.460 -6.971 -4.072 443 HA PHE 57 HA PHE 57 -9.505 -4.742 -2.474 444 1HB PHE 57 1HB PHE 57 -11.430 -6.529 -2.134 445 2HB PHE 57 2HB PHE 57 -11.381 -5.666 -3.659 446 HD1 PHE 57 1HD PHE 57 -10.222 -6.812 -5.634 447 HD2 PHE 57 2HD PHE 57 -11.320 -8.867 -2.089 448 HE1 PHE 57 1HE PHE 57 -10.107 -8.995 -6.867 449 HE2 PHE 57 2HE PHE 57 -11.205 -11.051 -3.320 450 HZ PHE 57 HZ PHE 57 -10.600 -11.090 -5.694 451 H LEU 58 H LEU 58 -8.261 -4.783 -0.632 452 HA LEU 58 HA LEU 58 -8.127 -7.374 0.737 453 1HB LEU 58 1HB LEU 58 -5.947 -5.346 0.307 454 2HB LEU 58 2HB LEU 58 -5.899 -6.485 1.637 455 HG LEU 58 HG LEU 58 -6.093 -7.290 -1.275 456 1HD1 LEU 58 1HD1 LEU 58 -3.990 -6.105 -0.837 457 2HD1 LEU 58 2HD1 LEU 58 -3.643 -7.220 0.508 458 3HD1 LEU 58 3HD1 LEU 58 -3.723 -7.834 -1.162 459 1HD2 LEU 58 1HD2 LEU 58 -4.979 -9.282 0.468 460 2HD2 LEU 58 2HD2 LEU 58 -6.555 -8.746 1.099 461 3HD2 LEU 58 3HD2 LEU 58 -6.425 -9.363 -0.565 462 H GLY 59 H GLY 59 -7.344 -6.797 3.189 463 1HA GLY 59 1HA GLY 59 -9.079 -4.565 4.066 464 2HA GLY 59 2HA GLY 59 -9.048 -6.127 4.858 465 HA PRO 60 HA PRO 60 -5.958 -3.599 6.982 466 1HB PRO 60 1HB PRO 60 -6.829 -4.047 9.533 467 2HB PRO 60 2HB PRO 60 -7.326 -2.662 8.581 468 1HG PRO 60 1HG PRO 60 -8.858 -5.102 9.242 469 2HG PRO 60 2HG PRO 60 -9.451 -3.555 8.672 470 1HD PRO 60 1HD PRO 60 -9.160 -5.953 7.127 471 2HD PRO 60 2HD PRO 60 -9.641 -4.376 6.534 472 H LYS 61 H LYS 61 -7.071 -6.833 7.390 473 HA LYS 61 HA LYS 61 -4.795 -7.634 8.908 474 1HB LYS 61 1HB LYS 61 -6.992 -8.746 9.072 475 2HB LYS 61 2HB LYS 61 -6.859 -9.273 7.408 476 1HG LYS 61 1HG LYS 61 -5.794 -11.123 8.178 477 2HG LYS 61 2HG LYS 61 -4.421 -10.095 8.535 478 1HD LYS 61 1HD LYS 61 -6.681 -10.224 10.538 479 2HD LYS 61 2HD LYS 61 -5.570 -11.576 10.445 480 1HE LYS 61 1HE LYS 61 -3.828 -9.404 10.434 481 2HE LYS 61 2HE LYS 61 -5.116 -8.828 11.475 482 1HZ LYS 61 1HZ LYS 61 -4.086 -11.517 11.879 483 2HZ LYS 61 2HZ LYS 61 -3.216 -10.249 12.430 484 3HZ LYS 61 3HZ LYS 61 -4.740 -10.489 12.966 485 H ASP 62 H ASP 62 -5.397 -6.879 5.592 486 HA ASP 62 HA ASP 62 -3.187 -8.564 4.763 487 1HB ASP 62 1HB ASP 62 -5.508 -7.233 3.409 488 2HB ASP 62 2HB ASP 62 -4.028 -7.318 2.471 489 H LEU 63 H LEU 63 -3.559 -5.652 6.204 490 HA LEU 63 HA LEU 63 -1.410 -4.426 4.628 491 1HB LEU 63 1HB LEU 63 -4.073 -3.396 5.199 492 2HB LEU 63 2HB LEU 63 -2.812 -2.320 5.768 493 HG LEU 63 HG LEU 63 -3.206 -3.321 2.937 494 1HD1 LEU 63 1HD1 LEU 63 -4.781 -1.603 3.478 495 2HD1 LEU 63 2HD1 LEU 63 -3.513 -0.594 4.215 496 3HD1 LEU 63 3HD1 LEU 63 -3.508 -0.886 2.461 497 1HD2 LEU 63 1HD2 LEU 63 -0.929 -1.771 4.168 498 2HD2 LEU 63 2HD2 LEU 63 -0.871 -3.242 3.167 499 3HD2 LEU 63 3HD2 LEU 63 -1.314 -1.683 2.432 500 H PHE 64 H PHE 64 0.380 -3.991 5.811 501 HA PHE 64 HA PHE 64 0.009 -3.843 8.719 502 1HB PHE 64 1HB PHE 64 1.394 -5.755 7.085 503 2HB PHE 64 2HB PHE 64 2.655 -4.739 7.755 504 HD1 PHE 64 1HD PHE 64 3.280 -4.909 10.041 505 HD2 PHE 64 2HD PHE 64 -0.140 -6.989 8.629 506 HE1 PHE 64 1HE PHE 64 3.184 -6.206 12.188 507 HE2 PHE 64 2HE PHE 64 -0.236 -8.285 10.776 508 HZ PHE 64 HZ PHE 64 1.426 -7.880 12.529 509 HA PRO 65 HA PRO 65 2.237 -0.140 8.359 510 1HB PRO 65 1HB PRO 65 2.937 0.261 10.970 511 2HB PRO 65 2HB PRO 65 1.355 0.660 10.330 512 1HG PRO 65 1HG PRO 65 2.140 -1.616 12.045 513 2HG PRO 65 2HG PRO 65 0.540 -0.964 11.750 514 1HD PRO 65 1HD PRO 65 1.655 -3.356 10.624 515 2HD PRO 65 2HD PRO 65 0.100 -2.641 10.241 516 H TYR 66 H TYR 66 4.360 0.974 8.760 517 HA TYR 66 HA TYR 66 6.376 -0.955 8.095 518 1HB TYR 66 1HB TYR 66 6.503 1.171 6.977 519 2HB TYR 66 2HB TYR 66 5.995 2.050 8.406 520 HD1 TYR 66 1HD TYR 66 8.874 0.076 7.054 521 HD2 TYR 66 2HD TYR 66 7.583 3.161 9.723 522 HE1 TYR 66 1HE TYR 66 11.296 0.662 7.562 523 HE2 TYR 66 2HE TYR 66 10.008 3.735 10.223 524 HH TYR 66 HH TYR 66 12.390 3.154 8.483 525 H GLU 67 H GLU 67 5.530 1.152 10.890 526 HA GLU 67 HA GLU 67 7.831 0.895 12.311 527 1HB GLU 67 1HB GLU 67 5.031 1.586 12.853 528 2HB GLU 67 2HB GLU 67 5.772 0.804 14.235 529 1HG GLU 67 1HG GLU 67 7.619 2.740 13.047 530 2HG GLU 67 2HG GLU 67 6.088 3.506 13.425 531 H GLU 68 H GLU 68 4.920 -1.273 12.359 532 HA GLU 68 HA GLU 68 6.169 -3.063 14.154 533 1HB GLU 68 1HB GLU 68 3.561 -2.747 12.856 534 2HB GLU 68 2HB GLU 68 4.059 -4.426 12.867 535 1HG GLU 68 1HG GLU 68 4.318 -2.757 15.388 536 2HG GLU 68 2HG GLU 68 2.763 -3.439 14.948 537 H SER 69 H SER 69 5.473 -3.039 10.600 538 HA SER 69 HA SER 69 6.368 -5.541 10.023 539 1HB SER 69 1HB SER 69 6.339 -2.943 8.467 540 2HB SER 69 2HB SER 69 7.032 -4.382 7.744 541 HG SER 69 HG SER 69 4.738 -5.243 8.726 542 H LYS 70 H LYS 70 8.215 -2.441 10.293 543 HA LYS 70 HA LYS 70 10.690 -3.678 9.614 544 1HB LYS 70 1HB LYS 70 11.629 -1.545 9.871 545 2HB LYS 70 2HB LYS 70 10.017 -1.247 9.252 546 1HG LYS 70 1HG LYS 70 9.517 0.005 11.072 547 2HG LYS 70 2HG LYS 70 9.830 -1.359 12.126 548 1HD LYS 70 1HD LYS 70 11.941 -0.626 12.684 549 2HD LYS 70 2HD LYS 70 12.284 -0.046 11.065 550 1HE LYS 70 1HE LYS 70 11.128 2.021 11.430 551 2HE LYS 70 2HE LYS 70 10.278 1.403 12.833 552 1HZ LYS 70 1HZ LYS 70 13.134 2.034 12.634 553 2HZ LYS 70 2HZ LYS 70 12.022 2.735 13.603 554 3HZ LYS 70 3HZ LYS 70 12.504 1.200 13.890 555 H GLU 71 H GLU 71 8.705 -3.455 12.463 556 HA GLU 71 HA GLU 71 10.673 -3.471 14.398 557 1HB GLU 71 1HB GLU 71 8.107 -3.187 14.624 558 2HB GLU 71 2HB GLU 71 8.020 -4.937 14.630 559 1HG GLU 71 1HG GLU 71 9.940 -4.672 16.502 560 2HG GLU 71 2HG GLU 71 9.217 -3.088 16.688 561 H LYS 72 H LYS 72 9.078 -6.157 12.584 562 HA LYS 72 HA LYS 72 10.971 -8.007 13.838 563 1HB LYS 72 1HB LYS 72 8.760 -8.759 14.175 564 2HB LYS 72 2HB LYS 72 8.272 -8.371 12.537 565 1HG LYS 72 1HG LYS 72 8.570 -10.753 12.575 566 2HG LYS 72 2HG LYS 72 9.962 -10.117 11.720 567 1HD LYS 72 1HD LYS 72 10.750 -10.087 14.432 568 2HD LYS 72 2HD LYS 72 9.852 -11.582 14.267 569 1HE LYS 72 1HE LYS 72 11.339 -11.732 11.989 570 2HE LYS 72 2HE LYS 72 12.424 -10.755 12.957 571 1HZ LYS 72 1HZ LYS 72 12.886 -12.482 14.241 572 2HZ LYS 72 2HZ LYS 72 11.329 -12.949 14.397 573 3HZ LYS 72 3HZ LYS 72 12.197 -13.423 13.096 574 H PHE 73 H PHE 73 9.371 -7.582 10.597 575 HA PHE 73 HA PHE 73 12.032 -7.922 9.422 576 1HB PHE 73 1HB PHE 73 9.514 -9.512 9.198 577 2HB PHE 73 2HB PHE 73 10.138 -9.027 7.634 578 HD1 PHE 73 1HD PHE 73 11.766 -10.185 10.796 579 HD2 PHE 73 2HD PHE 73 11.241 -10.776 6.628 580 HE1 PHE 73 1HE PHE 73 13.400 -12.089 10.860 581 HE2 PHE 73 2HE PHE 73 12.875 -12.679 6.690 582 HZ PHE 73 HZ PHE 73 13.936 -13.314 8.806 583 H GLY 74 H GLY 74 8.773 -7.652 7.906 584 1HA GLY 74 1HA GLY 74 7.827 -6.010 6.685 585 2HA GLY 74 2HA GLY 74 8.928 -4.860 7.413 586 H LYS 75 H LYS 75 10.653 -7.524 6.088 587 HA LYS 75 HA LYS 75 11.163 -5.964 3.650 588 1HB LYS 75 1HB LYS 75 13.128 -7.797 5.042 589 2HB LYS 75 2HB LYS 75 13.445 -6.684 3.728 590 1HG LYS 75 1HG LYS 75 13.271 -4.778 5.111 591 2HG LYS 75 2HG LYS 75 12.276 -5.598 6.298 592 1HD LYS 75 1HD LYS 75 14.499 -5.305 7.249 593 2HD LYS 75 2HD LYS 75 14.260 -7.015 6.943 594 1HE LYS 75 1HE LYS 75 16.148 -7.016 5.687 595 2HE LYS 75 2HE LYS 75 15.344 -5.976 4.528 596 1HZ LYS 75 1HZ LYS 75 16.818 -5.051 6.896 597 2HZ LYS 75 2HZ LYS 75 17.346 -4.975 5.353 598 3HZ LYS 75 3HZ LYS 75 16.062 -4.080 5.822 599 HA PRO 76 HA PRO 76 9.391 -9.732 2.118 600 1HB PRO 76 1HB PRO 76 8.261 -8.648 -0.122 601 2HB PRO 76 2HB PRO 76 7.423 -8.768 1.411 602 1HG PRO 76 1HG PRO 76 8.611 -6.383 0.130 603 2HG PRO 76 2HG PRO 76 7.425 -6.461 1.417 604 1HD PRO 76 1HD PRO 76 10.218 -5.866 1.690 605 2HD PRO 76 2HD PRO 76 9.055 -6.059 2.987 606 H ASN 77 H ASN 77 9.474 -10.863 -0.125 607 HA ASN 77 HA ASN 77 12.068 -11.319 -0.649 608 1HB ASN 77 1HB ASN 77 9.554 -11.549 -2.337 609 2HB ASN 77 2HB ASN 77 11.100 -11.922 -3.073 610 1HD2 ASN 77 1HD2 ASN 77 10.499 -12.360 0.340 611 2HD2 ASN 77 2HD2 ASN 77 10.488 -14.091 0.372 612 H LYS 78 H LYS 78 13.699 -10.191 -1.752 613 HA LYS 78 HA LYS 78 13.044 -7.610 -2.816 614 1HB LYS 78 1HB LYS 78 15.422 -9.035 -1.884 615 2HB LYS 78 2HB LYS 78 15.728 -8.123 -3.349 616 1HG LYS 78 1HG LYS 78 16.113 -6.526 -1.650 617 2HG LYS 78 2HG LYS 78 14.481 -6.155 -2.166 618 1HD LYS 78 1HD LYS 78 13.526 -6.920 -0.199 619 2HD LYS 78 2HD LYS 78 14.706 -8.198 0.009 620 1HE LYS 78 1HE LYS 78 15.118 -6.590 1.765 621 2HE LYS 78 2HE LYS 78 16.429 -6.419 0.614 622 1HZ LYS 78 1HZ LYS 78 15.660 -4.284 1.071 623 2HZ LYS 78 2HZ LYS 78 15.049 -4.619 -0.406 624 3HZ LYS 78 3HZ LYS 78 14.085 -4.686 0.911 625 H ARG 79 H ARG 79 11.668 -8.085 -4.608 626 HA ARG 79 HA ARG 79 12.951 -9.605 -6.711 627 1HB ARG 79 1HB ARG 79 10.082 -8.737 -6.183 628 2HB ARG 79 2HB ARG 79 10.560 -9.278 -7.779 629 1HG ARG 79 1HG ARG 79 11.179 -10.949 -5.315 630 2HG ARG 79 2HG ARG 79 9.614 -11.047 -6.097 631 1HD ARG 79 1HD ARG 79 10.497 -11.994 -8.067 632 2HD ARG 79 2HD ARG 79 12.084 -11.293 -7.822 633 HE ARG 79 HE ARG 79 12.670 -13.106 -6.436 634 1HH1 ARG 79 2HH2 ARG 79 9.207 -13.142 -7.060 635 2HH1 ARG 79 1HH2 ARG 79 8.972 -14.719 -6.383 636 1HH2 ARG 79 2HH1 ARG 79 12.361 -15.187 -5.543 637 2HH2 ARG 79 1HH1 ARG 79 10.777 -15.890 -5.514 638 H LYS 80 H LYS 80 11.842 -8.557 -9.021 639 HA LYS 80 HA LYS 80 13.331 -6.176 -9.346 640 1HB LYS 80 1HB LYS 80 11.466 -7.765 -11.111 641 2HB LYS 80 2HB LYS 80 12.156 -6.244 -11.642 642 1HG LYS 80 1HG LYS 80 14.239 -7.899 -10.449 643 2HG LYS 80 2HG LYS 80 13.389 -8.818 -11.677 644 1HD LYS 80 1HD LYS 80 14.794 -7.756 -13.138 645 2HD LYS 80 2HD LYS 80 13.676 -6.415 -12.982 646 1HE LYS 80 1HE LYS 80 15.055 -5.299 -11.364 647 2HE LYS 80 2HE LYS 80 15.992 -6.744 -11.037 648 1HZ LYS 80 1HZ LYS 80 15.968 -5.388 -13.642 649 2HZ LYS 80 2HZ LYS 80 17.097 -5.129 -12.493 650 3HZ LYS 80 3HZ LYS 80 16.956 -6.604 -13.180 651 H GLY 81 H GLY 81 9.773 -6.900 -9.359 652 1HA GLY 81 1HA GLY 81 9.012 -4.172 -9.566 653 2HA GLY 81 2HA GLY 81 7.997 -5.532 -9.130 654 H PHE 82 H PHE 82 10.526 -5.865 -7.032 655 HA PHE 82 HA PHE 82 9.015 -4.686 -4.894 656 1HB PHE 82 1HB PHE 82 10.109 -6.890 -4.644 657 2HB PHE 82 2HB PHE 82 11.641 -6.250 -5.206 658 HD1 PHE 82 1HD PHE 82 12.595 -4.259 -3.722 659 HD2 PHE 82 2HD PHE 82 9.818 -7.170 -2.373 660 HE1 PHE 82 1HE PHE 82 13.280 -3.813 -1.349 661 HE2 PHE 82 2HE PHE 82 10.503 -6.723 0.000 662 HZ PHE 82 HZ PHE 82 12.225 -5.050 0.484 663 H SER 83 H SER 83 12.302 -4.271 -6.375 664 HA SER 83 HA SER 83 13.003 -2.198 -4.634 665 1HB SER 83 1HB SER 83 14.725 -3.465 -5.776 666 2HB SER 83 2HB SER 83 14.066 -3.067 -7.351 667 HG SER 83 HG SER 83 16.006 -1.784 -6.247 668 H GLU 84 H GLU 84 11.938 -2.236 -8.115 669 HA GLU 84 HA GLU 84 11.820 0.566 -8.245 670 1HB GLU 84 1HB GLU 84 11.200 0.254 -10.470 671 2HB GLU 84 2HB GLU 84 12.018 -1.260 -10.141 672 1HG GLU 84 1HG GLU 84 9.767 -2.288 -9.566 673 2HG GLU 84 2HG GLU 84 9.002 -0.789 -10.055 674 H GLY 85 H GLY 85 9.876 -1.697 -6.637 675 1HA GLY 85 1HA GLY 85 7.317 -0.445 -7.111 676 2HA GLY 85 2HA GLY 85 7.691 -1.741 -5.993 677 H LEU 86 H LEU 86 9.326 -0.972 -4.120 678 HA LEU 86 HA LEU 86 7.918 0.879 -2.599 679 1HB LEU 86 1HB LEU 86 9.337 0.325 -0.942 680 2HB LEU 86 2HB LEU 86 9.629 -1.028 -2.017 681 HG LEU 86 HG LEU 86 11.725 -0.245 -1.146 682 1HD1 LEU 86 1HD1 LEU 86 11.956 0.898 -3.872 683 2HD1 LEU 86 2HD1 LEU 86 12.887 -0.393 -3.077 684 3HD1 LEU 86 3HD1 LEU 86 11.279 -0.743 -3.753 685 1HD2 LEU 86 1HD2 LEU 86 11.799 2.388 -2.418 686 2HD2 LEU 86 2HD2 LEU 86 10.579 2.262 -1.127 687 3HD2 LEU 86 3HD2 LEU 86 12.284 1.884 -0.780 688 H TRP 87 H TRP 87 10.346 1.273 -5.097 689 HA TRP 87 HA TRP 87 11.031 3.945 -4.227 690 1HB TRP 87 1HB TRP 87 12.315 1.974 -5.698 691 2HB TRP 87 2HB TRP 87 11.864 3.159 -6.908 692 HD1 TRP 87 HD TRP 87 12.937 5.698 -6.563 693 HE1 TRP 87 1HE TRP 87 15.142 6.580 -5.410 694 HE3 TRP 87 3HE TRP 87 13.795 1.514 -3.805 695 HZ2 TRP 87 2HZ TRP 87 16.955 5.455 -3.517 696 HZ3 TRP 87 3HZ TRP 87 15.806 1.488 -2.328 697 HH2 TRP 87 HH TRP 87 17.358 3.368 -2.159 698 H GLU 88 H GLU 88 8.822 2.214 -6.399 699 HA GLU 88 HA GLU 88 8.254 4.378 -8.067 700 1HB GLU 88 1HB GLU 88 7.196 1.666 -7.560 701 2HB GLU 88 2HB GLU 88 5.959 2.796 -8.070 702 1HG GLU 88 1HG GLU 88 8.548 2.863 -9.593 703 2HG GLU 88 2HG GLU 88 7.538 1.450 -9.827 704 H ILE 89 H ILE 89 7.312 3.544 -4.795 705 HA ILE 89 HA ILE 89 5.107 5.462 -4.898 706 HB ILE 89 HB ILE 89 4.289 3.558 -3.938 707 1HG1 ILE 89 1HG1 ILE 89 4.155 5.632 -2.433 708 2HG1 ILE 89 2HG1 ILE 89 3.766 4.076 -1.727 709 1HG2 ILE 89 1HG2 ILE 89 5.717 2.359 -2.078 710 2HG2 ILE 89 2HG2 ILE 89 5.994 2.034 -3.804 711 3HG2 ILE 89 3HG2 ILE 89 7.072 3.143 -2.923 712 1HD1 ILE 89 1HD1 ILE 89 6.626 4.535 -1.495 713 2HD1 ILE 89 2HD1 ILE 89 5.733 5.931 -0.841 714 3HD1 ILE 89 3HD1 ILE 89 5.423 4.297 -0.204 715 H GLU 90 H GLU 90 8.213 4.696 -3.234 716 HA GLU 90 HA GLU 90 8.082 6.966 -1.591 717 1HB GLU 90 1HB GLU 90 10.265 5.017 -2.372 718 2HB GLU 90 2HB GLU 90 10.659 6.437 -1.424 719 1HG GLU 90 1HG GLU 90 8.271 5.084 -0.371 720 2HG GLU 90 2HG GLU 90 9.638 3.989 -0.451 721 H ASN 91 H ASN 91 9.068 6.372 -4.919 722 HA ASN 91 HA ASN 91 9.874 9.166 -5.049 723 1HB ASN 91 1HB ASN 91 11.157 6.968 -6.740 724 2HB ASN 91 2HB ASN 91 11.696 8.627 -6.570 725 1HD2 ASN 91 1HD2 ASN 91 10.845 5.863 -4.483 726 2HD2 ASN 91 2HD2 ASN 91 12.201 5.974 -3.410 727 H ASN 92 H ASN 92 7.339 8.867 -5.607 728 HA ASN 92 HA ASN 92 6.724 7.672 -8.061 729 1HB ASN 92 1HB ASN 92 4.583 9.144 -7.794 730 2HB ASN 92 2HB ASN 92 4.895 7.953 -6.547 731 1HD2 ASN 92 1HD2 ASN 92 3.268 9.886 -5.866 732 2HD2 ASN 92 2HD2 ASN 92 3.990 11.055 -4.810 733 HA PRO 93 HA PRO 93 7.651 11.023 -10.733 734 1HB PRO 93 1HB PRO 93 5.834 10.713 -12.751 735 2HB PRO 93 2HB PRO 93 7.293 9.751 -12.621 736 1HG PRO 93 1HG PRO 93 4.503 8.976 -12.028 737 2HG PRO 93 2HG PRO 93 5.892 7.945 -12.314 738 1HD PRO 93 1HD PRO 93 4.691 8.544 -9.778 739 2HD PRO 93 2HD PRO 93 6.148 7.610 -10.054 740 H THR 94 H THR 94 4.269 10.759 -9.883 741 HA THR 94 HA THR 94 4.165 13.702 -10.004 742 HB THR 94 HB THR 94 1.929 11.632 -10.328 743 HG1 THR 94 1HG THR 94 3.520 13.371 -12.074 744 1HG2 THR 94 1HG2 THR 94 0.502 13.410 -10.217 745 2HG2 THR 94 2HG2 THR 94 1.867 14.478 -9.817 746 3HG2 THR 94 3HG2 THR 94 1.416 14.211 -11.518 747 H VAL 95 H VAL 95 4.989 14.071 -7.923 748 HA VAL 95 HA VAL 95 3.527 12.818 -5.737 749 HB VAL 95 HB VAL 95 6.086 13.022 -5.951 750 1HG1 VAL 95 1HG1 VAL 95 6.293 15.345 -6.535 751 2HG1 VAL 95 2HG1 VAL 95 5.373 15.845 -5.095 752 3HG1 VAL 95 3HG1 VAL 95 6.991 15.122 -4.913 753 1HG2 VAL 95 1HG2 VAL 95 5.353 14.102 -3.298 754 2HG2 VAL 95 2HG2 VAL 95 4.410 12.687 -3.826 755 3HG2 VAL 95 3HG2 VAL 95 6.185 12.591 -3.736 756 H LYS 96 H LYS 96 3.523 14.704 -3.769 757 HA LYS 96 HA LYS 96 2.773 17.271 -4.568 758 1HB LYS 96 1HB LYS 96 0.420 17.262 -4.510 759 2HB LYS 96 2HB LYS 96 0.860 15.937 -5.568 760 1HG LYS 96 1HG LYS 96 -0.645 14.799 -4.235 761 2HG LYS 96 2HG LYS 96 0.786 14.545 -3.257 762 1HD LYS 96 1HD LYS 96 0.213 16.414 -1.793 763 2HD LYS 96 2HD LYS 96 -1.087 16.920 -2.856 764 1HE LYS 96 1HE LYS 96 -1.203 14.094 -1.836 765 2HE LYS 96 2HE LYS 96 -1.498 15.362 -0.665 766 1HZ LYS 96 1HZ LYS 96 -3.529 14.763 -1.690 767 2HZ LYS 96 2HZ LYS 96 -3.150 16.257 -2.226 768 3HZ LYS 96 3HZ LYS 96 -2.933 14.963 -3.196 769 H ALA 97 H ALA 97 2.390 14.536 -2.273 770 HA ALA 97 HA ALA 97 2.673 16.497 -0.100 771 1HB ALA 97 1HB ALA 97 1.309 15.127 1.249 772 2HB ALA 97 2HB ALA 97 0.513 15.069 -0.342 773 3HB ALA 97 3HB ALA 97 1.530 13.709 0.194 774 H SER 98 H SER 98 5.013 16.477 -0.414 775 HA SER 98 HA SER 98 6.157 13.970 0.546 776 1HB SER 98 1HB SER 98 6.660 15.102 -1.906 777 2HB SER 98 2HB SER 98 7.927 15.846 -0.953 778 HG SER 98 HG SER 98 7.593 13.153 -1.724 779 H GLY 99 H GLY 99 6.975 17.505 0.167 780 1HA GLY 99 1HA GLY 99 7.281 18.965 1.971 781 2HA GLY 99 2HA GLY 99 7.590 17.609 3.037 782 H TYR 100 H TYR 100 9.023 20.121 1.256 783 HA TYR 100 HA TYR 100 11.534 18.733 0.815 784 1HB TYR 100 1HB TYR 100 11.529 20.384 -0.819 785 2HB TYR 100 2HB TYR 100 10.028 21.011 -0.170 786 HD1 TYR 100 1HD TYR 100 13.647 21.031 0.867 787 HD2 TYR 100 2HD TYR 100 10.055 23.279 0.275 788 HE1 TYR 100 1HE TYR 100 14.843 23.152 1.600 789 HE2 TYR 100 2HE TYR 100 11.263 25.391 1.010 790 HH TYR 100 HH TYR 100 14.728 25.333 1.712 Start of MODEL 20 1 H MET 1 H MET 1 9.866 13.777 0.332 2 HA MET 1 HA MET 1 8.147 15.573 1.032 3 1HB MET 1 1HB MET 1 9.407 16.462 -1.540 4 2HB MET 1 2HB MET 1 7.656 16.555 -1.521 5 1HG MET 1 1HG MET 1 8.416 18.682 -0.703 6 2HG MET 1 2HG MET 1 7.852 17.817 0.713 7 1HE MET 1 1HE MET 1 10.599 19.910 2.022 8 2HE MET 1 2HE MET 1 8.868 19.539 1.849 9 3HE MET 1 3HE MET 1 9.877 18.576 2.953 10 H SER 2 H SER 2 6.874 13.717 1.294 11 HA SER 2 HA SER 2 5.349 12.994 -0.965 12 1HB SER 2 1HB SER 2 5.915 10.609 -1.052 13 2HB SER 2 2HB SER 2 7.344 11.571 -1.375 14 HG SER 2 HG SER 2 7.574 11.314 1.163 15 H ARG 3 H ARG 3 3.572 11.413 -0.314 16 HA ARG 3 HA ARG 3 2.249 12.156 1.823 17 1HB ARG 3 1HB ARG 3 1.023 10.017 1.729 18 2HB ARG 3 2HB ARG 3 1.429 10.530 0.103 19 1HG ARG 3 1HG ARG 3 3.230 8.636 1.666 20 2HG ARG 3 2HG ARG 3 1.870 8.042 0.732 21 1HD ARG 3 1HD ARG 3 4.292 9.579 -0.309 22 2HD ARG 3 2HD ARG 3 3.840 7.929 -0.690 23 HE ARG 3 HE ARG 3 2.700 10.366 -1.851 24 1HH1 ARG 3 2HH2 ARG 3 2.159 6.946 -1.230 25 2HH1 ARG 3 1HH2 ARG 3 1.004 6.766 -2.508 26 1HH2 ARG 3 2HH1 ARG 3 1.176 10.129 -3.538 27 2HH2 ARG 3 1HH1 ARG 3 0.441 8.588 -3.830 28 H SER 4 H SER 4 1.915 11.372 4.045 29 HA SER 4 HA SER 4 4.313 10.065 5.064 30 1HB SER 4 1HB SER 4 3.701 12.491 5.776 31 2HB SER 4 2HB SER 4 2.401 11.768 6.700 32 HG SER 4 HG SER 4 4.447 12.112 7.900 33 H ASN 5 H ASN 5 3.893 8.736 7.144 34 HA ASN 5 HA ASN 5 1.810 6.931 6.558 35 1HB ASN 5 1HB ASN 5 2.609 5.855 8.763 36 2HB ASN 5 2HB ASN 5 3.827 6.013 7.514 37 1HD2 ASN 5 1HD2 ASN 5 2.509 7.451 10.446 38 2HD2 ASN 5 2HD2 ASN 5 3.938 8.280 10.967 39 H ARG 6 H ARG 6 0.560 6.136 8.823 40 HA ARG 6 HA ARG 6 -0.974 8.447 9.513 41 1HB ARG 6 1HB ARG 6 -2.536 6.837 10.527 42 2HB ARG 6 2HB ARG 6 -2.062 6.257 8.943 43 1HG ARG 6 1HG ARG 6 -0.224 5.327 11.058 44 2HG ARG 6 2HG ARG 6 -1.878 4.830 11.359 45 1HD ARG 6 1HD ARG 6 -1.537 3.141 9.874 46 2HD ARG 6 2HD ARG 6 -1.555 4.352 8.607 47 HE ARG 6 HE ARG 6 0.720 3.962 8.329 48 1HH1 ARG 6 2HH2 ARG 6 -0.121 3.244 11.669 49 2HH1 ARG 6 1HH2 ARG 6 1.482 2.748 12.100 50 1HH2 ARG 6 2HH1 ARG 6 2.835 3.306 8.897 51 2HH2 ARG 6 1HH1 ARG 6 3.174 2.782 10.512 52 H GLN 7 H GLN 7 -1.844 8.178 12.061 53 HA GLN 7 HA GLN 7 0.628 8.088 13.610 54 1HB GLN 7 1HB GLN 7 -0.732 9.720 15.155 55 2HB GLN 7 2HB GLN 7 0.021 10.345 13.702 56 1HG GLN 7 1HG GLN 7 -2.858 9.345 13.718 57 2HG GLN 7 2HG GLN 7 -2.451 11.001 14.123 58 1HE2 GLN 7 1HE2 GLN 7 -3.480 9.077 11.729 59 2HE2 GLN 7 2HE2 GLN 7 -2.925 9.922 10.322 60 H LYS 8 H LYS 8 -2.930 7.488 13.580 61 HA LYS 8 HA LYS 8 -2.476 5.344 15.494 62 1HB LYS 8 1HB LYS 8 -4.791 6.316 16.501 63 2HB LYS 8 2HB LYS 8 -3.207 6.663 17.164 64 1HG LYS 8 1HG LYS 8 -4.260 8.797 16.915 65 2HG LYS 8 2HG LYS 8 -3.112 8.696 15.593 66 1HD LYS 8 1HD LYS 8 -4.765 8.833 14.037 67 2HD LYS 8 2HD LYS 8 -5.667 7.531 14.787 68 1HE LYS 8 1HE LYS 8 -7.105 8.978 15.808 69 2HE LYS 8 2HE LYS 8 -5.796 9.977 16.411 70 1HZ LYS 8 1HZ LYS 8 -7.482 10.640 14.427 71 2HZ LYS 8 2HZ LYS 8 -6.059 11.378 14.738 72 3HZ LYS 8 3HZ LYS 8 -6.141 10.208 13.602 73 H GLU 9 H GLU 9 -4.582 7.078 13.157 74 HA GLU 9 HA GLU 9 -5.785 4.480 12.593 75 1HB GLU 9 1HB GLU 9 -7.825 5.696 11.877 76 2HB GLU 9 2HB GLU 9 -7.446 6.011 13.558 77 1HG GLU 9 1HG GLU 9 -6.771 8.219 13.145 78 2HG GLU 9 2HG GLU 9 -6.297 7.883 11.492 79 H TYR 10 H TYR 10 -5.943 3.841 10.399 80 HA TYR 10 HA TYR 10 -4.524 5.623 8.535 81 1HB TYR 10 1HB TYR 10 -3.941 3.384 7.449 82 2HB TYR 10 2HB TYR 10 -3.333 3.503 9.086 83 HD1 TYR 10 1HD TYR 10 -5.450 1.661 6.824 84 HD2 TYR 10 2HD TYR 10 -4.638 2.372 10.964 85 HE1 TYR 10 1HE TYR 10 -6.661 -0.488 7.439 86 HE2 TYR 10 2HE TYR 10 -5.851 0.221 11.565 87 HH TYR 10 HH TYR 10 -7.315 -1.296 10.777 88 H LYS 11 H LYS 11 -5.940 6.593 7.167 89 HA LYS 11 HA LYS 11 -8.124 4.907 6.153 90 1HB LYS 11 1HB LYS 11 -9.562 6.844 6.096 91 2HB LYS 11 2HB LYS 11 -8.948 6.626 7.723 92 1HG LYS 11 1HG LYS 11 -7.624 8.534 7.638 93 2HG LYS 11 2HG LYS 11 -7.314 8.383 5.921 94 1HD LYS 11 1HD LYS 11 -10.166 8.899 6.616 95 2HD LYS 11 2HD LYS 11 -9.070 10.196 7.048 96 1HE LYS 11 1HE LYS 11 -8.116 9.916 4.614 97 2HE LYS 11 2HE LYS 11 -9.586 9.015 4.294 98 1HZ LYS 11 1HZ LYS 11 -9.245 11.801 4.605 99 2HZ LYS 11 2HZ LYS 11 -10.508 10.980 3.977 100 3HZ LYS 11 3HZ LYS 11 -10.426 11.244 5.585 101 H CYS 12 H CYS 12 -9.024 6.224 4.025 102 HA CYS 12 HA CYS 12 -7.334 5.706 2.030 103 1HB CYS 12 1HB CYS 12 -9.797 6.534 1.989 104 2HB CYS 12 2HB CYS 12 -9.110 8.140 1.851 105 HG CYS 12 HG CYS 12 -7.629 7.687 -0.234 106 H GLY 13 H GLY 13 -5.543 6.684 1.031 107 1HA GLY 13 1HA GLY 13 -4.171 8.495 0.500 108 2HA GLY 13 2HA GLY 13 -4.792 9.389 1.873 109 H ASP 14 H ASP 14 -4.330 6.240 2.966 110 HA ASP 14 HA ASP 14 -1.767 7.025 4.075 111 1HB ASP 14 1HB ASP 14 -3.640 6.404 5.629 112 2HB ASP 14 2HB ASP 14 -3.709 4.813 4.895 113 H LEU 15 H LEU 15 0.091 5.883 3.450 114 HA LEU 15 HA LEU 15 -0.332 3.595 1.686 115 1HB LEU 15 1HB LEU 15 0.945 5.249 0.642 116 2HB LEU 15 2HB LEU 15 1.896 5.567 2.079 117 HG LEU 15 HG LEU 15 3.040 4.341 0.164 118 1HD1 LEU 15 1HD1 LEU 15 4.510 3.991 1.786 119 2HD1 LEU 15 2HD1 LEU 15 3.220 3.984 3.012 120 3HD1 LEU 15 3HD1 LEU 15 3.670 2.473 2.186 121 1HD2 LEU 15 1HD2 LEU 15 0.831 2.643 0.381 122 2HD2 LEU 15 2HD2 LEU 15 2.294 2.394 -0.602 123 3HD2 LEU 15 3HD2 LEU 15 2.197 1.710 1.039 124 H VAL 16 H VAL 16 0.573 1.558 2.095 125 HA VAL 16 HA VAL 16 2.284 1.181 4.350 126 HB VAL 16 HB VAL 16 0.412 -0.555 5.184 127 1HG1 VAL 16 1HG1 VAL 16 1.716 1.260 6.431 128 2HG1 VAL 16 2HG1 VAL 16 0.333 2.329 6.098 129 3HG1 VAL 16 3HG1 VAL 16 0.103 0.849 7.061 130 1HG2 VAL 16 1HG2 VAL 16 -1.330 1.828 4.664 131 2HG2 VAL 16 2HG2 VAL 16 -1.118 0.620 3.373 132 3HG2 VAL 16 3HG2 VAL 16 -1.773 0.129 4.953 133 H PHE 17 H PHE 17 2.332 -1.450 4.700 134 HA PHE 17 HA PHE 17 2.916 -2.411 2.030 135 1HB PHE 17 1HB PHE 17 3.460 -3.213 4.929 136 2HB PHE 17 2HB PHE 17 3.753 -4.377 3.653 137 HD1 PHE 17 1HD PHE 17 4.500 -0.764 4.282 138 HD2 PHE 17 2HD PHE 17 5.931 -4.529 2.943 139 HE1 PHE 17 1HE PHE 17 6.767 0.237 3.890 140 HE2 PHE 17 2HE PHE 17 8.198 -3.526 2.551 141 HZ PHE 17 HZ PHE 17 8.590 -1.156 3.029 142 H ALA 18 H ALA 18 1.252 -3.351 0.928 143 HA ALA 18 HA ALA 18 -0.543 -5.077 2.493 144 1HB ALA 18 1HB ALA 18 -1.443 -4.217 -0.177 145 2HB ALA 18 2HB ALA 18 -2.294 -4.166 1.387 146 3HB ALA 18 3HB ALA 18 -1.164 -2.863 0.945 147 H LYS 19 H LYS 19 -0.538 -7.230 2.024 148 HA LYS 19 HA LYS 19 0.982 -8.014 -0.361 149 1HB LYS 19 1HB LYS 19 1.983 -9.625 0.841 150 2HB LYS 19 2HB LYS 19 1.513 -8.659 2.224 151 1HG LYS 19 1HG LYS 19 -0.787 -10.061 1.933 152 2HG LYS 19 2HG LYS 19 0.304 -11.213 1.187 153 1HD LYS 19 1HD LYS 19 1.793 -10.718 3.361 154 2HD LYS 19 2HD LYS 19 0.258 -10.214 4.039 155 1HE LYS 19 1HE LYS 19 -0.612 -12.361 4.044 156 2HE LYS 19 2HE LYS 19 0.202 -12.813 2.560 157 1HZ LYS 19 1HZ LYS 19 2.293 -12.710 3.960 158 2HZ LYS 19 2HZ LYS 19 1.307 -12.734 5.263 159 3HZ LYS 19 3HZ LYS 19 1.290 -13.977 4.203 160 H MET 20 H MET 20 0.210 -10.108 -1.395 161 HA MET 20 HA MET 20 -2.678 -10.349 -1.108 162 1HB MET 20 1HB MET 20 -1.850 -8.934 -3.147 163 2HB MET 20 2HB MET 20 -1.203 -10.430 -3.790 164 1HG MET 20 1HG MET 20 -3.274 -11.223 -4.380 165 2HG MET 20 2HG MET 20 -4.014 -10.686 -2.884 166 1HE MET 20 1HE MET 20 -3.766 -10.491 -6.360 167 2HE MET 20 2HE MET 20 -5.487 -10.225 -5.984 168 3HE MET 20 3HE MET 20 -4.567 -8.986 -6.874 169 H LYS 21 H LYS 21 -3.519 -12.437 -2.176 170 HA LYS 21 HA LYS 21 -2.154 -14.608 -1.131 171 1HB LYS 21 1HB LYS 21 -4.639 -14.298 -1.817 172 2HB LYS 21 2HB LYS 21 -4.121 -14.825 -3.405 173 1HG LYS 21 1HG LYS 21 -4.585 -16.905 -2.510 174 2HG LYS 21 2HG LYS 21 -2.923 -16.772 -1.974 175 1HD LYS 21 1HD LYS 21 -3.641 -16.979 0.166 176 2HD LYS 21 2HD LYS 21 -4.434 -15.424 0.015 177 1HE LYS 21 1HE LYS 21 -5.880 -17.774 -1.169 178 2HE LYS 21 2HE LYS 21 -5.779 -17.724 0.580 179 1HZ LYS 21 1HZ LYS 21 -7.435 -16.243 -1.063 180 2HZ LYS 21 2HZ LYS 21 -7.341 -16.197 0.567 181 3HZ LYS 21 3HZ LYS 21 -6.429 -15.183 -0.334 182 H GLY 22 H GLY 22 -0.291 -15.556 -1.739 183 1HA GLY 22 1HA GLY 22 1.135 -16.618 -3.184 184 2HA GLY 22 2HA GLY 22 0.233 -16.005 -4.556 185 H TYR 23 H TYR 23 0.348 -13.198 -3.120 186 HA TYR 23 HA TYR 23 2.986 -12.536 -4.214 187 1HB TYR 23 1HB TYR 23 0.520 -11.563 -4.805 188 2HB TYR 23 2HB TYR 23 0.768 -10.620 -3.350 189 HD1 TYR 23 1HD TYR 23 3.296 -11.565 -5.937 190 HD2 TYR 23 2HD TYR 23 1.004 -8.424 -4.152 191 HE1 TYR 23 1HE TYR 23 4.605 -9.841 -7.272 192 HE2 TYR 23 2HE TYR 23 2.322 -6.711 -5.491 193 HH TYR 23 HH TYR 23 5.182 -7.538 -7.156 194 HA PRO 24 HA PRO 24 4.306 -11.658 -0.169 195 1HB PRO 24 1HB PRO 24 6.726 -10.535 -0.762 196 2HB PRO 24 2HB PRO 24 6.469 -12.265 -0.672 197 1HG PRO 24 1HG PRO 24 6.792 -10.563 -3.067 198 2HG PRO 24 2HG PRO 24 6.961 -12.301 -2.925 199 1HD PRO 24 1HD PRO 24 4.735 -10.878 -4.044 200 2HD PRO 24 2HD PRO 24 4.854 -12.609 -3.797 201 H HIS 25 H HIS 25 4.732 -9.957 1.372 202 HA HIS 25 HA HIS 25 3.071 -7.872 1.115 203 1HB HIS 25 1HB HIS 25 5.194 -8.651 2.854 204 2HB HIS 25 2HB HIS 25 5.388 -6.940 2.522 205 HD1 HIS 25 1HD HIS 25 4.408 -8.295 5.287 206 HD2 HIS 25 2HD HIS 25 2.008 -6.364 2.439 207 HE1 HIS 25 1HE HIS 25 2.316 -7.519 6.524 208 H TRP 26 H TRP 26 2.851 -6.391 -0.482 209 HA TRP 26 HA TRP 26 5.337 -5.291 -1.608 210 1HB TRP 26 1HB TRP 26 3.190 -6.604 -2.902 211 2HB TRP 26 2HB TRP 26 3.066 -4.908 -3.320 212 HD1 TRP 26 HD TRP 26 4.325 -4.469 -5.555 213 HE1 TRP 26 1HE TRP 26 6.506 -5.281 -6.801 214 HE3 TRP 26 3HE TRP 26 5.775 -7.774 -1.973 215 HZ2 TRP 26 2HZ TRP 26 8.546 -7.172 -6.163 216 HZ3 TRP 26 3HZ TRP 26 7.873 -9.062 -2.361 217 HH2 TRP 26 HH TRP 26 9.243 -8.803 -4.370 218 HA PRO 27 HA PRO 27 3.828 -1.435 -0.307 219 1HB PRO 27 1HB PRO 27 4.868 0.286 -2.158 220 2HB PRO 27 2HB PRO 27 5.804 -0.375 -0.832 221 1HG PRO 27 1HG PRO 27 5.875 -1.106 -3.695 222 2HG PRO 27 2HG PRO 27 7.063 -1.432 -2.449 223 1HD PRO 27 1HD PRO 27 5.180 -3.292 -3.552 224 2HD PRO 27 2HD PRO 27 6.289 -3.584 -2.227 225 H ALA 28 H ALA 28 1.643 -1.358 -0.247 226 HA ALA 28 HA ALA 28 0.469 -0.433 -2.781 227 1HB ALA 28 1HB ALA 28 0.007 -2.865 -1.549 228 2HB ALA 28 2HB ALA 28 -1.315 -1.857 -0.915 229 3HB ALA 28 3HB ALA 28 -1.109 -2.052 -2.672 230 H ARG 29 H ARG 29 -1.321 1.075 -2.565 231 HA ARG 29 HA ARG 29 -1.101 2.518 -0.057 232 1HB ARG 29 1HB ARG 29 -0.684 3.551 -2.476 233 2HB ARG 29 2HB ARG 29 -2.434 3.626 -2.550 234 1HG ARG 29 1HG ARG 29 -1.265 4.654 -0.009 235 2HG ARG 29 2HG ARG 29 -0.827 5.576 -1.433 236 1HD ARG 29 1HD ARG 29 -3.618 5.027 -1.694 237 2HD ARG 29 2HD ARG 29 -3.379 5.494 -0.022 238 HE ARG 29 HE ARG 29 -2.898 7.672 -0.725 239 1HH1 ARG 29 2HH2 ARG 29 -2.580 5.487 -3.465 240 2HH1 ARG 29 1HH2 ARG 29 -2.353 6.761 -4.617 241 1HH2 ARG 29 2HH1 ARG 29 -2.600 9.352 -2.245 242 2HH2 ARG 29 1HH1 ARG 29 -2.365 8.975 -3.919 243 H ILE 30 H ILE 30 -2.964 2.953 1.200 244 HA ILE 30 HA ILE 30 -5.142 1.221 0.873 245 HB ILE 30 HB ILE 30 -4.080 2.726 2.888 246 1HG1 ILE 30 1HG1 ILE 30 -5.372 0.564 2.956 247 2HG1 ILE 30 2HG1 ILE 30 -5.667 1.667 4.285 248 1HG2 ILE 30 1HG2 ILE 30 -6.843 3.863 2.608 249 2HG2 ILE 30 2HG2 ILE 30 -5.465 4.438 3.574 250 3HG2 ILE 30 3HG2 ILE 30 -5.466 4.659 1.808 251 1HD1 ILE 30 1HD1 ILE 30 -7.854 1.978 3.704 252 2HD1 ILE 30 2HD1 ILE 30 -7.469 2.104 1.969 253 3HD1 ILE 30 3HD1 ILE 30 -7.637 0.504 2.731 254 H ASP 31 H ASP 31 -7.259 1.546 0.126 255 HA ASP 31 HA ASP 31 -7.873 4.142 -0.945 256 1HB ASP 31 1HB ASP 31 -7.489 1.634 -2.595 257 2HB ASP 31 2HB ASP 31 -8.722 2.779 -3.084 258 H GLU 32 H GLU 32 -10.231 4.378 -1.257 259 HA GLU 32 HA GLU 32 -11.692 2.217 0.039 260 1HB GLU 32 1HB GLU 32 -13.343 3.915 0.691 261 2HB GLU 32 2HB GLU 32 -11.743 4.400 1.218 262 1HG GLU 32 1HG GLU 32 -11.541 5.822 -0.873 263 2HG GLU 32 2HG GLU 32 -13.196 5.406 -1.274 264 H MET 33 H MET 33 -13.637 1.410 -0.904 265 HA MET 33 HA MET 33 -13.670 1.589 -3.716 266 1HB MET 33 1HB MET 33 -15.388 -0.106 -3.547 267 2HB MET 33 2HB MET 33 -14.320 -0.410 -2.191 268 1HG MET 33 1HG MET 33 -15.922 1.124 -0.811 269 2HG MET 33 2HG MET 33 -17.043 0.955 -2.148 270 1HE MET 33 1HE MET 33 -15.411 -2.386 0.526 271 2HE MET 33 2HE MET 33 -14.548 -2.104 -1.005 272 3HE MET 33 3HE MET 33 -14.687 -0.794 0.192 273 HA PRO 34 HA PRO 34 -16.389 5.033 -3.832 274 1HB PRO 34 1HB PRO 34 -16.326 5.430 -6.534 275 2HB PRO 34 2HB PRO 34 -15.131 6.097 -5.440 276 1HG PRO 34 1HG PRO 34 -14.873 3.809 -7.294 277 2HG PRO 34 2HG PRO 34 -13.609 4.746 -6.523 278 1HD PRO 34 1HD PRO 34 -14.499 2.124 -5.776 279 2HD PRO 34 2HD PRO 34 -13.317 3.107 -4.936 280 H GLU 35 H GLU 35 -18.410 5.747 -5.143 281 HA GLU 35 HA GLU 35 -19.847 3.296 -5.774 282 1HB GLU 35 1HB GLU 35 -21.893 4.497 -4.697 283 2HB GLU 35 2HB GLU 35 -20.718 3.747 -3.634 284 1HG GLU 35 1HG GLU 35 -19.597 5.941 -3.290 285 2HG GLU 35 2HG GLU 35 -20.715 6.705 -4.403 286 H ALA 36 H ALA 36 -18.522 5.070 -7.608 287 HA ALA 36 HA ALA 36 -20.783 6.534 -8.774 288 1HB ALA 36 1HB ALA 36 -18.775 7.517 -10.156 289 2HB ALA 36 2HB ALA 36 -19.046 8.071 -8.486 290 3HB ALA 36 3HB ALA 36 -17.783 6.865 -8.829 291 H ALA 37 H ALA 37 -17.856 4.612 -9.780 292 HA ALA 37 HA ALA 37 -18.836 4.040 -12.327 293 1HB ALA 37 1HB ALA 37 -17.043 2.078 -10.966 294 2HB ALA 37 2HB ALA 37 -16.871 2.882 -12.545 295 3HB ALA 37 3HB ALA 37 -16.469 3.761 -11.050 296 H VAL 38 H VAL 38 -19.066 2.273 -9.184 297 HA VAL 38 HA VAL 38 -21.357 0.855 -10.280 298 HB VAL 38 HB VAL 38 -19.420 -0.573 -10.728 299 1HG1 VAL 38 1HG1 VAL 38 -17.984 -1.428 -9.039 300 2HG1 VAL 38 2HG1 VAL 38 -18.061 0.330 -8.774 301 3HG1 VAL 38 3HG1 VAL 38 -19.000 -0.767 -7.734 302 1HG2 VAL 38 1HG2 VAL 38 -21.749 -1.415 -9.943 303 2HG2 VAL 38 2HG2 VAL 38 -20.387 -2.562 -9.986 304 3HG2 VAL 38 3HG2 VAL 38 -20.905 -1.853 -8.438 305 H LYS 39 H LYS 39 -22.414 -0.464 -8.370 306 HA LYS 39 HA LYS 39 -22.280 1.294 -6.022 307 1HB LYS 39 1HB LYS 39 -24.601 -0.352 -7.073 308 2HB LYS 39 2HB LYS 39 -24.623 0.629 -5.621 309 1HG LYS 39 1HG LYS 39 -25.092 2.479 -6.840 310 2HG LYS 39 2HG LYS 39 -23.617 2.274 -7.764 311 1HD LYS 39 1HD LYS 39 -25.418 0.294 -8.746 312 2HD LYS 39 2HD LYS 39 -26.372 1.754 -8.572 313 1HE LYS 39 1HE LYS 39 -24.714 3.029 -9.916 314 2HE LYS 39 2HE LYS 39 -23.693 1.611 -10.037 315 1HZ LYS 39 1HZ LYS 39 -25.651 2.272 -11.751 316 2HZ LYS 39 2HZ LYS 39 -24.967 0.793 -11.633 317 3HZ LYS 39 3HZ LYS 39 -26.367 1.110 -10.854 318 H SER 40 H SER 40 -21.116 0.415 -4.401 319 HA SER 40 HA SER 40 -21.425 -2.464 -4.043 320 1HB SER 40 1HB SER 40 -19.117 -1.561 -4.826 321 2HB SER 40 2HB SER 40 -18.962 -0.886 -3.216 322 HG SER 40 HG SER 40 -19.012 -3.624 -4.041 323 H THR 41 H THR 41 -20.532 -2.965 -1.581 324 HA THR 41 HA THR 41 -21.872 -0.992 0.152 325 HB THR 41 HB THR 41 -22.381 -3.166 1.524 326 HG1 THR 41 1HG THR 41 -21.027 -4.609 0.346 327 1HG2 THR 41 1HG2 THR 41 -24.465 -3.185 0.559 328 2HG2 THR 41 2HG2 THR 41 -23.849 -1.894 -0.501 329 3HG2 THR 41 3HG2 THR 41 -23.796 -3.590 -1.040 330 H ALA 42 H ALA 42 -21.200 -1.649 2.605 331 HA ALA 42 HA ALA 42 -18.295 -1.370 2.544 332 1HB ALA 42 1HB ALA 42 -18.538 -0.048 4.391 333 2HB ALA 42 2HB ALA 42 -20.204 0.114 3.783 334 3HB ALA 42 3HB ALA 42 -19.837 -1.056 5.073 335 H ASN 43 H ASN 43 -16.955 -2.983 3.214 336 HA ASN 43 HA ASN 43 -17.481 -4.691 5.268 337 1HB ASN 43 1HB ASN 43 -17.905 -6.857 4.017 338 2HB ASN 43 2HB ASN 43 -19.253 -5.740 3.936 339 1HD2 ASN 43 1HD2 ASN 43 -19.623 -4.530 2.047 340 2HD2 ASN 43 2HD2 ASN 43 -19.038 -5.037 0.498 341 H LYS 44 H LYS 44 -16.099 -4.150 2.005 342 HA LYS 44 HA LYS 44 -13.628 -5.461 2.906 343 1HB LYS 44 1HB LYS 44 -13.154 -5.905 0.534 344 2HB LYS 44 2HB LYS 44 -14.626 -6.688 1.073 345 1HG LYS 44 1HG LYS 44 -16.009 -4.941 0.041 346 2HG LYS 44 2HG LYS 44 -14.592 -3.987 -0.350 347 1HD LYS 44 1HD LYS 44 -13.855 -6.254 -1.613 348 2HD LYS 44 2HD LYS 44 -15.586 -6.528 -1.635 349 1HE LYS 44 1HE LYS 44 -15.957 -4.351 -2.756 350 2HE LYS 44 2HE LYS 44 -14.252 -3.970 -2.644 351 1HZ LYS 44 1HZ LYS 44 -13.916 -6.091 -3.933 352 2HZ LYS 44 2HZ LYS 44 -15.516 -6.059 -4.255 353 3HZ LYS 44 3HZ LYS 44 -14.558 -4.833 -4.754 354 H TYR 45 H TYR 45 -11.705 -4.470 1.401 355 HA TYR 45 HA TYR 45 -12.056 -1.555 1.402 356 1HB TYR 45 1HB TYR 45 -10.506 -3.285 3.153 357 2HB TYR 45 2HB TYR 45 -9.358 -2.466 2.113 358 HD1 TYR 45 1HD TYR 45 -8.327 -1.118 3.805 359 HD2 TYR 45 2HD TYR 45 -12.562 -0.960 3.218 360 HE1 TYR 45 1HE TYR 45 -8.462 0.945 5.285 361 HE2 TYR 45 2HE TYR 45 -12.683 1.102 4.699 362 HH TYR 45 HH TYR 45 -9.877 2.810 5.643 363 H GLN 46 H GLN 46 -10.636 -0.403 -0.059 364 HA GLN 46 HA GLN 46 -9.816 -2.129 -2.234 365 1HB GLN 46 1HB GLN 46 -11.371 -0.063 -2.497 366 2HB GLN 46 2HB GLN 46 -9.929 0.908 -2.280 367 1HG GLN 46 1HG GLN 46 -8.923 0.106 -4.276 368 2HG GLN 46 2HG GLN 46 -9.919 -1.336 -4.319 369 1HE2 GLN 46 1HE2 GLN 46 -10.092 2.208 -4.448 370 2HE2 GLN 46 2HE2 GLN 46 -11.402 2.328 -5.574 371 H VAL 47 H VAL 47 -7.678 -2.335 -2.905 372 HA VAL 47 HA VAL 47 -5.728 -0.664 -1.479 373 HB VAL 47 HB VAL 47 -5.847 -3.639 -1.855 374 1HG1 VAL 47 1HG1 VAL 47 -3.705 -3.591 -2.570 375 2HG1 VAL 47 2HG1 VAL 47 -3.442 -1.922 -2.008 376 3HG1 VAL 47 3HG1 VAL 47 -3.333 -3.276 -0.858 377 1HG2 VAL 47 1HG2 VAL 47 -6.421 -3.417 0.304 378 2HG2 VAL 47 2HG2 VAL 47 -4.702 -3.058 0.592 379 3HG2 VAL 47 3HG2 VAL 47 -5.864 -1.727 0.371 380 H PHE 48 H PHE 48 -4.240 0.333 -2.774 381 HA PHE 48 HA PHE 48 -4.338 -0.418 -5.605 382 1HB PHE 48 1HB PHE 48 -4.483 2.043 -4.071 383 2HB PHE 48 2HB PHE 48 -2.973 2.091 -4.959 384 HD1 PHE 48 1HD PHE 48 -6.519 1.108 -5.642 385 HD2 PHE 48 2HD PHE 48 -3.059 3.162 -6.987 386 HE1 PHE 48 1HE PHE 48 -7.754 1.838 -7.700 387 HE2 PHE 48 2HE PHE 48 -4.295 3.894 -9.047 388 HZ PHE 48 HZ PHE 48 -6.627 3.223 -9.378 389 H PHE 49 H PHE 49 -2.728 -1.971 -5.838 390 HA PHE 49 HA PHE 49 -0.267 -1.771 -4.449 391 1HB PHE 49 1HB PHE 49 -1.622 -3.425 -6.581 392 2HB PHE 49 2HB PHE 49 0.130 -3.480 -6.601 393 HD1 PHE 49 1HD PHE 49 -2.792 -3.988 -4.358 394 HD2 PHE 49 2HD PHE 49 1.278 -4.899 -5.143 395 HE1 PHE 49 1HE PHE 49 -2.826 -5.713 -2.535 396 HE2 PHE 49 2HE PHE 49 1.243 -6.623 -3.319 397 HZ PHE 49 HZ PHE 49 -0.809 -7.009 -2.037 398 H PHE 50 H PHE 50 1.545 -0.631 -4.960 399 HA PHE 50 HA PHE 50 1.524 0.838 -7.450 400 1HB PHE 50 1HB PHE 50 3.052 0.756 -4.819 401 2HB PHE 50 2HB PHE 50 3.831 1.534 -6.182 402 HD1 PHE 50 1HD PHE 50 3.803 3.801 -5.685 403 HD2 PHE 50 2HD PHE 50 0.239 1.552 -5.193 404 HE1 PHE 50 1HE PHE 50 2.536 5.914 -5.202 405 HE2 PHE 50 2HE PHE 50 -1.028 3.665 -4.710 406 HZ PHE 50 HZ PHE 50 0.136 5.819 -4.721 407 H GLY 51 H GLY 51 3.800 -1.362 -5.654 408 1HA GLY 51 1HA GLY 51 5.843 -1.623 -7.364 409 2HA GLY 51 2HA GLY 51 5.169 -2.974 -6.475 410 H THR 52 H THR 52 2.542 -2.999 -7.796 411 HA THR 52 HA THR 52 3.413 -4.082 -10.388 412 HB THR 52 HB THR 52 0.968 -5.169 -9.981 413 HG1 THR 52 1HG THR 52 2.112 -4.820 -7.322 414 1HG2 THR 52 1HG2 THR 52 3.666 -5.927 -8.835 415 2HG2 THR 52 2HG2 THR 52 2.232 -6.848 -8.321 416 3HG2 THR 52 3HG2 THR 52 2.681 -6.787 -10.042 417 H HIS 53 H HIS 53 1.423 -1.647 -8.804 418 HA HIS 53 HA HIS 53 0.388 0.100 -9.657 419 1HB HIS 53 1HB HIS 53 2.213 -0.497 -11.660 420 2HB HIS 53 2HB HIS 53 0.689 -0.441 -12.521 421 HD1 HIS 53 1HD HIS 53 3.073 1.713 -12.696 422 HD2 HIS 53 2HD HIS 53 -0.517 2.120 -10.565 423 HE1 HIS 53 1HE HIS 53 2.686 4.219 -12.419 424 H GLU 54 H GLU 54 -0.913 -2.386 -9.025 425 HA GLU 54 HA GLU 54 -3.152 -2.161 -10.877 426 1HB GLU 54 1HB GLU 54 -1.925 -4.674 -9.684 427 2HB GLU 54 2HB GLU 54 -3.563 -4.657 -10.306 428 1HG GLU 54 1HG GLU 54 -1.846 -3.386 -12.257 429 2HG GLU 54 2HG GLU 54 -1.102 -4.901 -11.782 430 H THR 55 H THR 55 -5.278 -2.942 -9.833 431 HA THR 55 HA THR 55 -5.227 -2.315 -6.953 432 HB THR 55 HB THR 55 -7.166 -1.476 -9.166 433 HG1 THR 55 1HG THR 55 -5.205 -0.203 -8.788 434 1HG2 THR 55 1HG2 THR 55 -7.344 -0.739 -6.211 435 2HG2 THR 55 2HG2 THR 55 -8.553 -0.464 -7.488 436 3HG2 THR 55 3HG2 THR 55 -8.264 -2.109 -6.876 437 H ALA 56 H ALA 56 -6.282 -3.661 -5.573 438 HA ALA 56 HA ALA 56 -8.044 -5.665 -6.738 439 1HB ALA 56 1HB ALA 56 -5.535 -6.425 -6.559 440 2HB ALA 56 2HB ALA 56 -5.888 -6.540 -4.818 441 3HB ALA 56 3HB ALA 56 -6.825 -7.508 -5.982 442 H PHE 57 H PHE 57 -9.096 -6.971 -4.846 443 HA PHE 57 HA PHE 57 -9.888 -4.981 -2.885 444 1HB PHE 57 1HB PHE 57 -11.746 -6.615 -2.535 445 2HB PHE 57 2HB PHE 57 -11.548 -6.318 -4.251 446 HD1 PHE 57 1HD PHE 57 -10.600 -8.039 -5.711 447 HD2 PHE 57 2HD PHE 57 -11.207 -8.768 -1.574 448 HE1 PHE 57 1HE PHE 57 -10.343 -10.504 -6.106 449 HE2 PHE 57 2HE PHE 57 -10.950 -11.232 -1.971 450 HZ PHE 57 HZ PHE 57 -10.521 -12.072 -4.232 451 H LEU 58 H LEU 58 -8.960 -4.935 -0.898 452 HA LEU 58 HA LEU 58 -8.334 -7.477 0.363 453 1HB LEU 58 1HB LEU 58 -6.330 -5.385 -0.386 454 2HB LEU 58 2HB LEU 58 -6.117 -6.280 1.105 455 HG LEU 58 HG LEU 58 -6.469 -7.627 -1.582 456 1HD1 LEU 58 1HD1 LEU 58 -4.470 -6.790 -2.130 457 2HD1 LEU 58 2HD1 LEU 58 -4.128 -6.254 -0.467 458 3HD1 LEU 58 3HD1 LEU 58 -3.820 -7.943 -0.941 459 1HD2 LEU 58 1HD2 LEU 58 -4.939 -9.199 0.171 460 2HD2 LEU 58 2HD2 LEU 58 -6.288 -8.564 1.144 461 3HD2 LEU 58 3HD2 LEU 58 -6.618 -9.470 -0.353 462 H GLY 59 H GLY 59 -7.423 -6.813 2.748 463 1HA GLY 59 1HA GLY 59 -9.138 -4.606 3.711 464 2HA GLY 59 2HA GLY 59 -9.143 -6.183 4.472 465 HA PRO 60 HA PRO 60 -5.901 -3.749 6.519 466 1HB PRO 60 1HB PRO 60 -6.808 -4.003 9.085 467 2HB PRO 60 2HB PRO 60 -7.188 -2.629 8.066 468 1HG PRO 60 1HG PRO 60 -8.916 -4.901 8.834 469 2HG PRO 60 2HG PRO 60 -9.379 -3.338 8.190 470 1HD PRO 60 1HD PRO 60 -9.285 -5.823 6.762 471 2HD PRO 60 2HD PRO 60 -9.636 -4.242 6.091 472 H LYS 61 H LYS 61 -7.164 -6.884 6.778 473 HA LYS 61 HA LYS 61 -5.179 -7.869 8.548 474 1HB LYS 61 1HB LYS 61 -6.017 -10.105 7.619 475 2HB LYS 61 2HB LYS 61 -7.156 -9.106 8.499 476 1HG LYS 61 1HG LYS 61 -8.344 -8.497 6.566 477 2HG LYS 61 2HG LYS 61 -6.962 -8.723 5.512 478 1HD LYS 61 1HD LYS 61 -7.292 -11.020 5.323 479 2HD LYS 61 2HD LYS 61 -7.976 -11.169 6.930 480 1HE LYS 61 1HE LYS 61 -10.015 -11.263 5.924 481 2HE LYS 61 2HE LYS 61 -9.842 -9.544 5.620 482 1HZ LYS 61 1HZ LYS 61 -9.673 -11.705 3.796 483 2HZ LYS 61 2HZ LYS 61 -9.917 -10.118 3.502 484 3HZ LYS 61 3HZ LYS 61 -8.398 -10.695 3.654 485 H ASP 62 H ASP 62 -5.413 -7.276 5.056 486 HA ASP 62 HA ASP 62 -3.004 -8.788 4.615 487 1HB ASP 62 1HB ASP 62 -5.067 -7.410 2.900 488 2HB ASP 62 2HB ASP 62 -3.469 -7.629 2.215 489 H LEU 63 H LEU 63 -3.780 -5.796 5.858 490 HA LEU 63 HA LEU 63 -1.550 -4.443 4.509 491 1HB LEU 63 1HB LEU 63 -4.196 -3.632 5.015 492 2HB LEU 63 2HB LEU 63 -3.199 -2.726 6.136 493 HG LEU 63 HG LEU 63 -3.070 -1.275 4.419 494 1HD1 LEU 63 1HD1 LEU 63 -0.775 -2.438 4.711 495 2HD1 LEU 63 2HD1 LEU 63 -1.103 -3.134 3.107 496 3HD1 LEU 63 3HD1 LEU 63 -1.032 -1.367 3.314 497 1HD2 LEU 63 1HD2 LEU 63 -4.662 -2.133 2.958 498 2HD2 LEU 63 2HD2 LEU 63 -3.187 -2.072 1.962 499 3HD2 LEU 63 3HD2 LEU 63 -3.733 -3.620 2.652 500 H PHE 64 H PHE 64 0.211 -3.761 5.692 501 HA PHE 64 HA PHE 64 0.028 -4.132 8.591 502 1HB PHE 64 1HB PHE 64 1.408 -5.748 6.685 503 2HB PHE 64 2HB PHE 64 2.658 -4.710 7.339 504 HD1 PHE 64 1HD PHE 64 0.065 -7.180 8.270 505 HD2 PHE 64 2HD PHE 64 3.553 -5.094 9.490 506 HE1 PHE 64 1HE PHE 64 0.257 -8.675 10.277 507 HE2 PHE 64 2HE PHE 64 3.746 -6.590 11.498 508 HZ PHE 64 HZ PHE 64 2.096 -8.363 11.866 509 HA PRO 65 HA PRO 65 1.947 -0.238 8.561 510 1HB PRO 65 1HB PRO 65 2.599 -0.032 11.207 511 2HB PRO 65 2HB PRO 65 0.999 0.317 10.585 512 1HG PRO 65 1HG PRO 65 1.924 -2.048 12.095 513 2HG PRO 65 2HG PRO 65 0.286 -1.481 11.839 514 1HD PRO 65 1HD PRO 65 1.567 -3.679 10.515 515 2HD PRO 65 2HD PRO 65 -0.029 -3.039 10.177 516 H TYR 66 H TYR 66 3.995 0.974 9.199 517 HA TYR 66 HA TYR 66 6.144 -0.745 8.350 518 1HB TYR 66 1HB TYR 66 6.027 1.518 7.458 519 2HB TYR 66 2HB TYR 66 5.630 2.197 9.024 520 HD1 TYR 66 1HD TYR 66 8.368 0.878 6.920 521 HD2 TYR 66 2HD TYR 66 7.356 2.796 10.609 522 HE1 TYR 66 1HE TYR 66 10.813 1.464 7.294 523 HE2 TYR 66 2HE TYR 66 9.806 3.376 10.969 524 HH TYR 66 HH TYR 66 11.788 3.445 10.059 525 H GLU 67 H GLU 67 5.169 1.091 11.301 526 HA GLU 67 HA GLU 67 7.461 0.803 12.727 527 1HB GLU 67 1HB GLU 67 4.542 0.969 13.491 528 2HB GLU 67 2HB GLU 67 5.735 0.704 14.747 529 1HG GLU 67 1HG GLU 67 6.924 2.755 13.327 530 2HG GLU 67 2HG GLU 67 5.229 3.136 13.099 531 H GLU 68 H GLU 68 4.640 -1.474 12.550 532 HA GLU 68 HA GLU 68 5.802 -3.336 14.277 533 1HB GLU 68 1HB GLU 68 3.624 -3.638 12.165 534 2HB GLU 68 2HB GLU 68 4.031 -4.883 13.330 535 1HG GLU 68 1HG GLU 68 3.539 -3.265 15.196 536 2HG GLU 68 2HG GLU 68 3.082 -2.059 14.010 537 H SER 69 H SER 69 6.017 -2.733 10.774 538 HA SER 69 HA SER 69 7.061 -5.233 10.105 539 1HB SER 69 1HB SER 69 7.051 -4.393 7.987 540 2HB SER 69 2HB SER 69 6.182 -3.050 8.703 541 HG SER 69 HG SER 69 8.156 -2.545 7.352 542 H LYS 70 H LYS 70 8.607 -2.004 10.738 543 HA LYS 70 HA LYS 70 11.235 -3.011 10.479 544 1HB LYS 70 1HB LYS 70 11.883 -0.853 10.762 545 2HB LYS 70 2HB LYS 70 10.206 -0.563 10.345 546 1HG LYS 70 1HG LYS 70 9.972 -0.932 13.059 547 2HG LYS 70 2HG LYS 70 11.587 -0.258 12.978 548 1HD LYS 70 1HD LYS 70 10.738 1.690 11.689 549 2HD LYS 70 2HD LYS 70 9.125 1.006 11.685 550 1HE LYS 70 1HE LYS 70 9.181 2.637 13.468 551 2HE LYS 70 2HE LYS 70 9.163 1.060 14.231 552 1HZ LYS 70 1HZ LYS 70 11.802 1.853 13.704 553 2HZ LYS 70 2HZ LYS 70 11.038 3.019 14.554 554 3HZ LYS 70 3HZ LYS 70 11.106 1.495 15.138 555 H GLU 71 H GLU 71 8.818 -3.454 12.846 556 HA GLU 71 HA GLU 71 10.547 -3.468 15.089 557 1HB GLU 71 1HB GLU 71 7.727 -3.628 14.591 558 2HB GLU 71 2HB GLU 71 8.162 -5.047 15.523 559 1HG GLU 71 1HG GLU 71 9.446 -2.545 16.485 560 2HG GLU 71 2HG GLU 71 7.696 -2.523 16.583 561 H LYS 72 H LYS 72 9.079 -5.951 12.909 562 HA LYS 72 HA LYS 72 10.809 -7.943 14.190 563 1HB LYS 72 1HB LYS 72 9.160 -9.460 12.744 564 2HB LYS 72 2HB LYS 72 8.770 -8.921 14.365 565 1HG LYS 72 1HG LYS 72 7.260 -7.278 13.612 566 2HG LYS 72 2HG LYS 72 8.034 -7.129 12.047 567 1HD LYS 72 1HD LYS 72 6.584 -9.670 12.904 568 2HD LYS 72 2HD LYS 72 5.756 -8.349 12.104 569 1HE LYS 72 1HE LYS 72 7.544 -8.526 10.245 570 2HE LYS 72 2HE LYS 72 8.055 -10.023 11.001 571 1HZ LYS 72 1HZ LYS 72 5.310 -10.123 10.768 572 2HZ LYS 72 2HZ LYS 72 5.872 -9.595 9.328 573 3HZ LYS 72 3HZ LYS 72 6.412 -11.006 9.948 574 H PHE 73 H PHE 73 9.388 -7.395 10.891 575 HA PHE 73 HA PHE 73 12.111 -7.637 9.844 576 1HB PHE 73 1HB PHE 73 9.518 -9.105 9.160 577 2HB PHE 73 2HB PHE 73 10.729 -8.892 7.911 578 HD1 PHE 73 1HD PHE 73 9.988 -10.518 11.120 579 HD2 PHE 73 2HD PHE 73 12.790 -10.136 7.955 580 HE1 PHE 73 1HE PHE 73 11.198 -12.554 11.946 581 HE2 PHE 73 2HE PHE 73 14.000 -12.175 8.782 582 HZ PHE 73 HZ PHE 73 13.189 -13.359 10.767 583 H GLY 74 H GLY 74 8.918 -7.451 8.178 584 1HA GLY 74 1HA GLY 74 7.969 -5.814 6.952 585 2HA GLY 74 2HA GLY 74 9.015 -4.645 7.734 586 H LYS 75 H LYS 75 10.422 -7.488 6.138 587 HA LYS 75 HA LYS 75 11.091 -5.828 3.819 588 1HB LYS 75 1HB LYS 75 13.424 -6.728 3.937 589 2HB LYS 75 2HB LYS 75 13.010 -5.599 5.210 590 1HG LYS 75 1HG LYS 75 13.760 -7.184 6.662 591 2HG LYS 75 2HG LYS 75 12.259 -8.029 6.338 592 1HD LYS 75 1HD LYS 75 13.283 -9.643 5.065 593 2HD LYS 75 2HD LYS 75 14.345 -8.492 4.276 594 1HE LYS 75 1HE LYS 75 15.246 -8.506 6.947 595 2HE LYS 75 2HE LYS 75 14.853 -10.184 6.633 596 1HZ LYS 75 1HZ LYS 75 16.955 -10.037 5.831 597 2HZ LYS 75 2HZ LYS 75 16.134 -9.722 4.455 598 3HZ LYS 75 3HZ LYS 75 16.807 -8.499 5.303 599 HA PRO 76 HA PRO 76 9.516 -9.714 2.361 600 1HB PRO 76 1HB PRO 76 8.317 -8.730 0.111 601 2HB PRO 76 2HB PRO 76 7.493 -8.875 1.651 602 1HG PRO 76 1HG PRO 76 8.538 -6.447 0.326 603 2HG PRO 76 2HG PRO 76 7.364 -6.572 1.621 604 1HD PRO 76 1HD PRO 76 10.119 -5.815 1.870 605 2HD PRO 76 2HD PRO 76 8.974 -6.052 3.176 606 H ASN 77 H ASN 77 9.652 -10.873 0.134 607 HA ASN 77 HA ASN 77 12.262 -11.197 -0.396 608 1HB ASN 77 1HB ASN 77 10.134 -11.361 -2.583 609 2HB ASN 77 2HB ASN 77 11.572 -12.350 -2.425 610 1HD2 ASN 77 1HD2 ASN 77 8.430 -11.585 -1.057 611 2HD2 ASN 77 2HD2 ASN 77 8.166 -13.072 -0.208 612 H LYS 78 H LYS 78 13.796 -10.235 -1.846 613 HA LYS 78 HA LYS 78 13.029 -7.613 -2.829 614 1HB LYS 78 1HB LYS 78 15.060 -7.871 -1.454 615 2HB LYS 78 2HB LYS 78 15.739 -8.963 -2.644 616 1HG LYS 78 1HG LYS 78 16.672 -7.038 -3.486 617 2HG LYS 78 2HG LYS 78 15.120 -6.878 -4.287 618 1HD LYS 78 1HD LYS 78 14.508 -5.080 -3.010 619 2HD LYS 78 2HD LYS 78 15.080 -5.820 -1.527 620 1HE LYS 78 1HE LYS 78 17.449 -5.278 -2.949 621 2HE LYS 78 2HE LYS 78 16.438 -3.889 -3.293 622 1HZ LYS 78 1HZ LYS 78 16.987 -4.927 -0.597 623 2HZ LYS 78 2HZ LYS 78 17.715 -3.629 -1.269 624 3HZ LYS 78 3HZ LYS 78 16.115 -3.591 -0.948 625 H ARG 79 H ARG 79 11.685 -8.121 -4.612 626 HA ARG 79 HA ARG 79 12.963 -9.705 -6.670 627 1HB ARG 79 1HB ARG 79 10.096 -8.770 -6.216 628 2HB ARG 79 2HB ARG 79 10.595 -9.447 -7.754 629 1HG ARG 79 1HG ARG 79 11.217 -10.948 -5.195 630 2HG ARG 79 2HG ARG 79 9.601 -11.026 -5.867 631 1HD ARG 79 1HD ARG 79 10.264 -12.285 -7.691 632 2HD ARG 79 2HD ARG 79 11.801 -11.458 -7.843 633 HE ARG 79 HE ARG 79 11.908 -12.941 -5.425 634 1HH1 ARG 79 2HH2 ARG 79 11.651 -13.566 -8.879 635 2HH1 ARG 79 1HH2 ARG 79 12.433 -15.109 -8.787 636 1HH2 ARG 79 2HH1 ARG 79 12.938 -14.975 -5.304 637 2HH2 ARG 79 1HH1 ARG 79 13.169 -15.917 -6.740 638 H LYS 80 H LYS 80 11.889 -8.729 -9.016 639 HA LYS 80 HA LYS 80 13.379 -6.356 -9.397 640 1HB LYS 80 1HB LYS 80 11.883 -8.293 -11.033 641 2HB LYS 80 2HB LYS 80 11.825 -6.655 -11.651 642 1HG LYS 80 1HG LYS 80 14.015 -6.702 -12.279 643 2HG LYS 80 2HG LYS 80 14.529 -7.336 -10.729 644 1HD LYS 80 1HD LYS 80 13.669 -9.630 -11.490 645 2HD LYS 80 2HD LYS 80 13.424 -8.938 -13.080 646 1HE LYS 80 1HE LYS 80 15.738 -8.633 -13.460 647 2HE LYS 80 2HE LYS 80 16.125 -8.615 -11.751 648 1HZ LYS 80 1HZ LYS 80 16.779 -10.681 -12.612 649 2HZ LYS 80 2HZ LYS 80 15.441 -10.983 -11.726 650 3HZ LYS 80 3HZ LYS 80 15.350 -10.944 -13.357 651 H GLY 81 H GLY 81 9.850 -7.127 -9.216 652 1HA GLY 81 1HA GLY 81 9.033 -4.427 -9.640 653 2HA GLY 81 2HA GLY 81 8.052 -5.767 -9.080 654 H PHE 82 H PHE 82 10.580 -5.983 -7.008 655 HA PHE 82 HA PHE 82 9.136 -4.592 -4.950 656 1HB PHE 82 1HB PHE 82 10.146 -6.836 -4.585 657 2HB PHE 82 2HB PHE 82 11.708 -6.266 -5.138 658 HD1 PHE 82 1HD PHE 82 9.804 -7.002 -2.312 659 HD2 PHE 82 2HD PHE 82 12.664 -4.209 -3.734 660 HE1 PHE 82 1HE PHE 82 10.439 -6.448 0.053 661 HE2 PHE 82 2HE PHE 82 13.299 -3.654 -1.370 662 HZ PHE 82 HZ PHE 82 12.179 -4.781 0.494 663 H SER 83 H SER 83 12.345 -4.377 -6.601 664 HA SER 83 HA SER 83 13.235 -2.273 -4.981 665 1HB SER 83 1HB SER 83 14.592 -3.906 -6.479 666 2HB SER 83 2HB SER 83 14.187 -2.842 -7.812 667 HG SER 83 HG SER 83 15.100 -1.064 -6.376 668 H GLU 84 H GLU 84 12.024 -2.396 -8.415 669 HA GLU 84 HA GLU 84 11.999 0.391 -8.659 670 1HB GLU 84 1HB GLU 84 11.239 0.008 -10.827 671 2HB GLU 84 2HB GLU 84 11.986 -1.536 -10.470 672 1HG GLU 84 1HG GLU 84 9.758 -2.452 -9.781 673 2HG GLU 84 2HG GLU 84 9.012 -0.910 -10.146 674 H GLY 85 H GLY 85 9.778 -1.967 -7.286 675 1HA GLY 85 1HA GLY 85 7.401 -0.408 -7.498 676 2HA GLY 85 2HA GLY 85 7.675 -1.806 -6.480 677 H LEU 86 H LEU 86 9.606 -1.200 -4.707 678 HA LEU 86 HA LEU 86 8.347 0.495 -2.907 679 1HB LEU 86 1HB LEU 86 9.684 -1.036 -1.897 680 2HB LEU 86 2HB LEU 86 10.952 -0.913 -3.101 681 HG LEU 86 HG LEU 86 11.554 -0.104 -0.802 682 1HD1 LEU 86 1HD1 LEU 86 12.031 1.192 -3.361 683 2HD1 LEU 86 2HD1 LEU 86 12.213 2.320 -1.996 684 3HD1 LEU 86 3HD1 LEU 86 13.160 0.814 -2.037 685 1HD2 LEU 86 1HD2 LEU 86 10.210 1.279 0.290 686 2HD2 LEU 86 2HD2 LEU 86 10.533 2.536 -0.927 687 3HD2 LEU 86 3HD2 LEU 86 9.157 1.427 -1.138 688 H TRP 87 H TRP 87 10.585 1.132 -5.559 689 HA TRP 87 HA TRP 87 11.192 3.783 -4.568 690 1HB TRP 87 1HB TRP 87 12.443 1.936 -6.281 691 2HB TRP 87 2HB TRP 87 11.978 3.285 -7.298 692 HD1 TRP 87 HD TRP 87 13.203 5.673 -6.786 693 HE1 TRP 87 1HE TRP 87 15.398 6.389 -5.507 694 HE3 TRP 87 3HE TRP 87 13.798 1.291 -4.275 695 HZ2 TRP 87 2HZ TRP 87 17.098 5.073 -3.632 696 HZ3 TRP 87 3HZ TRP 87 15.752 1.089 -2.740 697 HH2 TRP 87 HH TRP 87 17.371 2.889 -2.399 698 H GLU 88 H GLU 88 8.877 2.069 -6.582 699 HA GLU 88 HA GLU 88 8.173 4.246 -8.201 700 1HB GLU 88 1HB GLU 88 7.078 1.530 -7.587 701 2HB GLU 88 2HB GLU 88 5.929 2.691 -8.222 702 1HG GLU 88 1HG GLU 88 8.481 2.772 -9.690 703 2HG GLU 88 2HG GLU 88 7.767 1.172 -9.719 704 H ILE 89 H ILE 89 7.477 3.341 -4.888 705 HA ILE 89 HA ILE 89 5.216 5.191 -4.806 706 HB ILE 89 HB ILE 89 4.530 3.262 -3.801 707 1HG1 ILE 89 1HG1 ILE 89 4.538 5.350 -2.254 708 2HG1 ILE 89 2HG1 ILE 89 4.117 3.782 -1.594 709 1HG2 ILE 89 1HG2 ILE 89 6.106 2.053 -2.102 710 2HG2 ILE 89 2HG2 ILE 89 6.318 1.810 -3.852 711 3HG2 ILE 89 3HG2 ILE 89 7.393 2.922 -2.970 712 1HD1 ILE 89 1HD1 ILE 89 7.031 4.377 -1.534 713 2HD1 ILE 89 2HD1 ILE 89 6.030 5.453 -0.531 714 3HD1 ILE 89 3HD1 ILE 89 5.981 3.694 -0.269 715 H GLU 90 H GLU 90 8.485 4.544 -3.450 716 HA GLU 90 HA GLU 90 8.382 6.830 -1.791 717 1HB GLU 90 1HB GLU 90 10.405 4.746 -2.525 718 2HB GLU 90 2HB GLU 90 11.040 6.268 -1.936 719 1HG GLU 90 1HG GLU 90 8.805 4.841 -0.451 720 2HG GLU 90 2HG GLU 90 10.479 4.392 -0.195 721 H ASN 91 H ASN 91 9.247 6.153 -5.144 722 HA ASN 91 HA ASN 91 9.987 8.957 -5.385 723 1HB ASN 91 1HB ASN 91 11.259 6.730 -7.048 724 2HB ASN 91 2HB ASN 91 11.765 8.407 -6.959 725 1HD2 ASN 91 1HD2 ASN 91 11.049 5.713 -4.733 726 2HD2 ASN 91 2HD2 ASN 91 12.443 5.891 -3.718 727 H ASN 92 H ASN 92 7.436 8.559 -5.838 728 HA ASN 92 HA ASN 92 6.700 7.256 -8.166 729 1HB ASN 92 1HB ASN 92 4.614 8.765 -7.970 730 2HB ASN 92 2HB ASN 92 4.983 7.796 -6.556 731 1HD2 ASN 92 1HD2 ASN 92 3.917 10.674 -7.423 732 2HD2 ASN 92 2HD2 ASN 92 4.529 11.703 -6.171 733 HA PRO 93 HA PRO 93 8.288 10.429 -10.849 734 1HB PRO 93 1HB PRO 93 8.069 9.037 -13.191 735 2HB PRO 93 2HB PRO 93 9.465 8.927 -12.138 736 1HG PRO 93 1HG PRO 93 7.282 6.973 -12.529 737 2HG PRO 93 2HG PRO 93 8.870 6.721 -11.833 738 1HD PRO 93 1HD PRO 93 6.390 6.962 -10.412 739 2HD PRO 93 2HD PRO 93 7.990 6.826 -9.711 740 H THR 94 H THR 94 5.243 9.400 -10.362 741 HA THR 94 HA THR 94 4.250 11.495 -12.162 742 HB THR 94 HB THR 94 3.927 9.258 -13.247 743 HG1 THR 94 1HG THR 94 1.575 10.456 -11.958 744 1HG2 THR 94 1HG2 THR 94 1.923 8.596 -11.075 745 2HG2 THR 94 2HG2 THR 94 2.712 7.506 -12.241 746 3HG2 THR 94 3HG2 THR 94 3.622 8.118 -10.840 747 H VAL 95 H VAL 95 4.123 12.940 -10.413 748 HA VAL 95 HA VAL 95 2.738 12.159 -8.040 749 HB VAL 95 HB VAL 95 4.613 13.886 -8.365 750 1HG1 VAL 95 1HG1 VAL 95 3.693 15.212 -10.147 751 2HG1 VAL 95 2HG1 VAL 95 2.209 15.532 -9.214 752 3HG1 VAL 95 3HG1 VAL 95 3.760 16.226 -8.685 753 1HG2 VAL 95 1HG2 VAL 95 2.738 13.499 -6.400 754 2HG2 VAL 95 2HG2 VAL 95 4.140 14.588 -6.278 755 3HG2 VAL 95 3HG2 VAL 95 2.550 15.234 -6.749 756 H LYS 96 H LYS 96 0.951 14.051 -7.376 757 HA LYS 96 HA LYS 96 -0.773 14.862 -9.430 758 1HB LYS 96 1HB LYS 96 -2.593 13.311 -9.232 759 2HB LYS 96 2HB LYS 96 -1.146 12.421 -9.656 760 1HG LYS 96 1HG LYS 96 -1.849 11.072 -7.918 761 2HG LYS 96 2HG LYS 96 -0.926 12.221 -6.971 762 1HD LYS 96 1HD LYS 96 -3.111 13.587 -6.746 763 2HD LYS 96 2HD LYS 96 -3.942 12.198 -7.420 764 1HE LYS 96 1HE LYS 96 -2.302 11.090 -5.409 765 2HE LYS 96 2HE LYS 96 -2.870 12.591 -4.705 766 1HZ LYS 96 1HZ LYS 96 -4.275 10.295 -4.879 767 2HZ LYS 96 2HZ LYS 96 -4.894 11.764 -4.527 768 3HZ LYS 96 3HZ LYS 96 -4.934 11.208 -6.062 769 H ALA 97 H ALA 97 -0.372 13.772 -6.024 770 HA ALA 97 HA ALA 97 -2.442 15.312 -4.959 771 1HB ALA 97 1HB ALA 97 -1.240 14.949 -2.823 772 2HB ALA 97 2HB ALA 97 -1.336 13.453 -3.782 773 3HB ALA 97 3HB ALA 97 0.184 14.380 -3.727 774 H SER 98 H SER 98 -2.689 17.485 -4.928 775 HA SER 98 HA SER 98 -0.442 19.109 -5.576 776 1HB SER 98 1HB SER 98 -3.398 19.506 -5.220 777 2HB SER 98 2HB SER 98 -2.380 20.917 -5.013 778 HG SER 98 HG SER 98 -1.493 20.547 -7.139 779 H GLY 99 H GLY 99 0.345 20.913 -4.219 780 1HA GLY 99 1HA GLY 99 -0.402 20.797 -1.387 781 2HA GLY 99 2HA GLY 99 1.263 20.452 -1.814 782 H TYR 100 H TYR 100 -0.151 22.784 -0.347 783 HA TYR 100 HA TYR 100 0.634 24.983 -2.107 784 1HB TYR 100 1HB TYR 100 -1.258 25.850 -1.076 785 2HB TYR 100 2HB TYR 100 -1.408 24.381 -0.132 786 HD1 TYR 100 1HD TYR 100 -1.605 24.723 2.144 787 HD2 TYR 100 2HD TYR 100 0.862 27.384 -0.124 788 HE1 TYR 100 1HE TYR 100 -1.060 26.028 4.257 789 HE2 TYR 100 2HE TYR 100 1.399 28.680 1.996 790 HH TYR 100 HH TYR 100 1.021 28.907 4.108
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