NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22236 | 2jn3 | 15084 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 6.187 -10.724 -19.155 2 2H ALA 1 2H ALA 1 5.082 -11.719 -18.333 3 3H ALA 1 3H ALA 1 6.487 -12.388 -19.016 4 HA ALA 1 HA ALA 1 6.607 -12.096 -16.551 5 1HB ALA 1 1HB ALA 1 8.459 -10.763 -18.536 6 2HB ALA 1 2HB ALA 1 8.893 -10.943 -16.836 7 3HB ALA 1 3HB ALA 1 8.603 -12.373 -17.828 8 H PHE 2 H PHE 2 7.119 -10.438 -14.882 9 HA PHE 2 HA PHE 2 5.370 -8.117 -15.091 10 1HB PHE 2 1HB PHE 2 7.333 -9.194 -13.052 11 2HB PHE 2 2HB PHE 2 6.399 -7.723 -12.775 12 HD1 PHE 2 HD1 PHE 2 6.240 -11.380 -13.172 13 HD2 PHE 2 HD2 PHE 2 3.972 -7.796 -12.492 14 HE1 PHE 2 HE1 PHE 2 4.288 -12.745 -12.483 15 HE2 PHE 2 HE2 PHE 2 2.021 -9.162 -11.803 16 HZ PHE 2 HZ PHE 2 2.177 -11.636 -11.798 17 H SER 3 H SER 3 8.848 -8.705 -15.320 18 HA SER 3 HA SER 3 9.843 -6.072 -15.028 19 1HB SER 3 1HB SER 3 10.676 -8.416 -16.759 20 2HB SER 3 2HB SER 3 11.674 -6.983 -16.533 21 HG SER 3 HG SER 3 11.902 -8.928 -15.055 22 H GLY 4 H GLY 4 10.085 -4.348 -16.501 23 1HA GLY 4 1HA GLY 4 10.072 -3.758 -18.992 24 2HA GLY 4 2HA GLY 4 8.530 -4.613 -19.043 25 H THR 5 H THR 5 8.098 -2.234 -19.903 26 HA THR 5 HA THR 5 7.453 -0.437 -17.599 27 HB THR 5 HB THR 5 7.628 0.058 -20.590 28 HG1 THR 5 HG1 THR 5 9.574 1.115 -19.960 29 1HG2 THR 5 1HG2 THR 5 7.820 2.257 -18.608 30 2HG2 THR 5 2HG2 THR 5 7.068 2.240 -20.202 31 3HG2 THR 5 3HG2 THR 5 6.222 1.541 -18.822 32 H TRP 6 H TRP 6 5.316 -0.137 -17.071 33 HA TRP 6 HA TRP 6 3.248 -1.124 -19.012 34 1HB TRP 6 1HB TRP 6 3.290 -1.086 -15.976 35 2HB TRP 6 2HB TRP 6 1.960 -1.693 -16.963 36 HD1 TRP 6 HD1 TRP 6 5.230 -2.690 -15.484 37 HE1 TRP 6 HE1 TRP 6 5.858 -5.072 -16.243 38 HE3 TRP 6 HE3 TRP 6 1.756 -3.388 -19.162 39 HZ2 TRP 6 HZ2 TRP 6 5.000 -7.017 -18.157 40 HZ3 TRP 6 HZ3 TRP 6 1.685 -5.512 -20.436 41 HH2 TRP 6 HH2 TRP 6 3.301 -7.326 -19.940 42 H GLN 7 H GLN 7 1.477 0.244 -19.379 43 HA GLN 7 HA GLN 7 1.519 2.892 -17.963 44 1HB GLN 7 1HB GLN 7 2.354 2.977 -20.287 45 2HB GLN 7 2HB GLN 7 0.865 2.218 -20.852 46 1HG GLN 7 1HG GLN 7 -0.431 4.131 -19.935 47 2HG GLN 7 2HG GLN 7 1.081 4.901 -19.454 48 1HE2 GLN 7 2HE2 GLN 7 1.464 6.564 -20.932 49 2HE2 GLN 7 1HE2 GLN 7 1.330 6.412 -22.619 50 H VAL 8 H VAL 8 -0.347 3.183 -16.814 51 HA VAL 8 HA VAL 8 -2.608 1.434 -16.934 52 HB VAL 8 HB VAL 8 -2.329 4.284 -15.923 53 1HG1 VAL 8 1HG1 VAL 8 -4.643 2.851 -16.182 54 2HG1 VAL 8 2HG1 VAL 8 -4.118 2.358 -14.572 55 3HG1 VAL 8 3HG1 VAL 8 -4.370 4.066 -14.933 56 1HG2 VAL 8 1HG2 VAL 8 -1.839 1.592 -14.609 57 2HG2 VAL 8 2HG2 VAL 8 -0.633 2.834 -14.947 58 3HG2 VAL 8 3HG2 VAL 8 -1.885 3.126 -13.740 59 H TYR 9 H TYR 9 -4.269 1.401 -18.397 60 HA TYR 9 HA TYR 9 -4.878 3.911 -19.918 61 1HB TYR 9 1HB TYR 9 -5.005 2.580 -21.941 62 2HB TYR 9 2HB TYR 9 -3.464 2.222 -21.160 63 HD1 TYR 9 HD1 TYR 9 -3.248 0.142 -19.741 64 HD2 TYR 9 HD2 TYR 9 -6.658 0.890 -22.245 65 HE1 TYR 9 HE1 TYR 9 -3.866 -2.257 -19.616 66 HE2 TYR 9 HE2 TYR 9 -7.276 -1.508 -22.120 67 HH TYR 9 HH TYR 9 -5.858 -3.749 -21.668 68 H ALA 10 H ALA 10 -6.034 1.666 -17.791 69 HA ALA 10 HA ALA 10 -8.824 2.372 -18.322 70 1HB ALA 10 1HB ALA 10 -7.578 -0.166 -19.220 71 2HB ALA 10 2HB ALA 10 -9.135 -0.333 -18.409 72 3HB ALA 10 3HB ALA 10 -8.996 0.672 -19.851 73 H GLN 11 H GLN 11 -9.779 2.473 -16.327 74 HA GLN 11 HA GLN 11 -8.955 0.529 -14.220 75 1HB GLN 11 1HB GLN 11 -8.640 2.421 -12.653 76 2HB GLN 11 2HB GLN 11 -7.547 2.554 -14.031 77 1HG GLN 11 1HG GLN 11 -9.796 3.873 -14.933 78 2HG GLN 11 2HG GLN 11 -9.758 4.312 -13.226 79 1HE2 GLN 11 2HE2 GLN 11 -7.904 5.544 -12.446 80 2HE2 GLN 11 1HE2 GLN 11 -6.819 6.288 -13.519 81 H GLU 12 H GLU 12 -10.841 -0.336 -13.455 82 HA GLU 12 HA GLU 12 -13.360 1.242 -13.694 83 1HB GLU 12 1HB GLU 12 -13.149 -1.057 -14.646 84 2HB GLU 12 2HB GLU 12 -12.841 -1.673 -13.022 85 1HG GLU 12 1HG GLU 12 -15.035 -0.906 -12.273 86 2HG GLU 12 2HG GLU 12 -15.345 -0.175 -13.849 87 H ASN 13 H ASN 13 -14.615 1.721 -11.855 88 HA ASN 13 HA ASN 13 -15.046 2.131 -9.567 89 1HB ASN 13 1HB ASN 13 -13.390 -0.402 -9.315 90 2HB ASN 13 2HB ASN 13 -14.517 0.223 -8.111 91 1HD2 ASN 13 2HD2 ASN 13 -16.720 0.948 -9.673 92 2HD2 ASN 13 1HD2 ASN 13 -17.348 -0.420 -10.456 93 H TYR 14 H TYR 14 -12.290 2.816 -10.960 94 HA TYR 14 HA TYR 14 -10.185 2.822 -9.096 95 1HB TYR 14 1HB TYR 14 -10.010 3.525 -11.437 96 2HB TYR 14 2HB TYR 14 -11.048 4.914 -11.119 97 HD1 TYR 14 HD1 TYR 14 -7.763 3.371 -10.300 98 HD2 TYR 14 HD2 TYR 14 -10.184 6.916 -10.151 99 HE1 TYR 14 HE1 TYR 14 -5.785 4.692 -9.602 100 HE2 TYR 14 HE2 TYR 14 -8.206 8.237 -9.452 101 HH TYR 14 HH TYR 14 -5.589 7.937 -9.776 102 H GLU 15 H GLU 15 -12.753 5.287 -9.511 103 HA GLU 15 HA GLU 15 -11.888 6.995 -7.374 104 1HB GLU 15 1HB GLU 15 -14.505 6.487 -8.805 105 2HB GLU 15 2HB GLU 15 -14.338 7.747 -7.582 106 1HG GLU 15 1HG GLU 15 -12.456 8.727 -8.883 107 2HG GLU 15 2HG GLU 15 -12.711 7.506 -10.130 108 H GLU 16 H GLU 16 -14.391 4.434 -7.483 109 HA GLU 16 HA GLU 16 -15.295 4.616 -4.807 110 1HB GLU 16 1HB GLU 16 -15.045 2.420 -6.858 111 2HB GLU 16 2HB GLU 16 -15.714 2.077 -5.262 112 1HG GLU 16 1HG GLU 16 -17.323 3.994 -5.624 113 2HG GLU 16 2HG GLU 16 -16.749 4.073 -7.291 114 H PHE 17 H PHE 17 -12.903 2.249 -6.064 115 HA PHE 17 HA PHE 17 -12.033 1.163 -3.640 116 1HB PHE 17 1HB PHE 17 -11.345 0.345 -5.821 117 2HB PHE 17 2HB PHE 17 -10.520 1.863 -6.175 118 HD1 PHE 17 HD1 PHE 17 -8.431 2.469 -5.015 119 HD2 PHE 17 HD2 PHE 17 -10.373 -1.299 -4.324 120 HE1 PHE 17 HE1 PHE 17 -6.371 1.605 -3.938 121 HE2 PHE 17 HE2 PHE 17 -8.312 -2.164 -3.247 122 HZ PHE 17 HZ PHE 17 -6.311 -0.712 -3.054 123 H LEU 18 H LEU 18 -10.512 3.943 -5.332 124 HA LEU 18 HA LEU 18 -8.604 4.639 -3.390 125 1HB LEU 18 1HB LEU 18 -10.241 6.128 -5.430 126 2HB LEU 18 2HB LEU 18 -9.131 7.015 -4.385 127 HG LEU 18 HG LEU 18 -8.276 4.587 -5.972 128 1HD1 LEU 18 1HD1 LEU 18 -8.745 7.370 -6.834 129 2HD1 LEU 18 2HD1 LEU 18 -7.146 6.744 -7.235 130 3HD1 LEU 18 3HD1 LEU 18 -8.590 5.903 -7.800 131 1HD2 LEU 18 1HD2 LEU 18 -6.975 6.663 -4.260 132 2HD2 LEU 18 2HD2 LEU 18 -6.610 4.944 -4.410 133 3HD2 LEU 18 3HD2 LEU 18 -6.071 6.072 -5.654 134 H LYS 19 H LYS 19 -11.968 5.853 -3.662 135 HA LYS 19 HA LYS 19 -12.140 7.624 -1.556 136 1HB LYS 19 1HB LYS 19 -13.923 5.556 -2.760 137 2HB LYS 19 2HB LYS 19 -14.467 6.304 -1.257 138 1HG LYS 19 1HG LYS 19 -14.176 8.540 -2.259 139 2HG LYS 19 2HG LYS 19 -13.633 7.796 -3.763 140 1HD LYS 19 1HD LYS 19 -15.810 6.636 -3.969 141 2HD LYS 19 2HD LYS 19 -16.356 7.415 -2.484 142 1HE LYS 19 1HE LYS 19 -15.868 9.653 -3.617 143 2HE LYS 19 2HE LYS 19 -15.689 8.739 -5.128 144 1HZ LYS 19 1HZ LYS 19 -17.869 7.738 -4.711 145 2HZ LYS 19 2HZ LYS 19 -18.050 8.697 -3.321 146 3HZ LYS 19 3HZ LYS 19 -17.980 9.423 -4.855 147 H ALA 20 H ALA 20 -12.130 4.067 -1.296 148 HA ALA 20 HA ALA 20 -12.547 3.969 1.556 149 1HB ALA 20 1HB ALA 20 -12.528 2.220 -0.540 150 2HB ALA 20 2HB ALA 20 -10.983 1.837 0.219 151 3HB ALA 20 3HB ALA 20 -12.475 1.717 1.151 152 H LEU 21 H LEU 21 -9.724 4.479 -0.459 153 HA LEU 21 HA LEU 21 -7.648 3.737 1.332 154 1HB LEU 21 1HB LEU 21 -8.034 5.133 -1.140 155 2HB LEU 21 2HB LEU 21 -6.943 6.088 -0.134 156 HG LEU 21 HG LEU 21 -5.606 4.524 -1.412 157 1HD1 LEU 21 1HD1 LEU 21 -5.259 4.891 1.157 158 2HD1 LEU 21 2HD1 LEU 21 -5.802 3.218 1.291 159 3HD1 LEU 21 3HD1 LEU 21 -4.363 3.607 0.348 160 1HD2 LEU 21 1HD2 LEU 21 -7.527 2.924 -1.804 161 2HD2 LEU 21 2HD2 LEU 21 -6.003 2.140 -1.389 162 3HD2 LEU 21 3HD2 LEU 21 -7.267 2.311 -0.171 163 H ALA 22 H ALA 22 -9.894 6.376 1.467 164 HA ALA 22 HA ALA 22 -10.219 7.921 3.251 165 1HB ALA 22 1HB ALA 22 -8.976 5.938 4.442 166 2HB ALA 22 2HB ALA 22 -7.579 7.013 4.377 167 3HB ALA 22 3HB ALA 22 -9.036 7.510 5.239 168 H LEU 23 H LEU 23 -8.494 8.293 0.749 169 HA LEU 23 HA LEU 23 -6.349 10.116 1.484 170 1HB LEU 23 1HB LEU 23 -7.836 9.443 -1.069 171 2HB LEU 23 2HB LEU 23 -6.467 10.554 -1.026 172 HG LEU 23 HG LEU 23 -6.201 7.834 0.219 173 1HD1 LEU 23 1HD1 LEU 23 -7.090 7.916 -2.305 174 2HD1 LEU 23 2HD1 LEU 23 -5.382 8.214 -2.626 175 3HD1 LEU 23 3HD1 LEU 23 -5.878 6.745 -1.787 176 1HD2 LEU 23 1HD2 LEU 23 -4.522 9.870 0.263 177 2HD2 LEU 23 2HD2 LEU 23 -3.912 8.237 -0.003 178 3HD2 LEU 23 3HD2 LEU 23 -4.135 9.328 -1.371 179 HA PRO 24 HA PRO 24 -8.554 13.900 1.739 180 1HB PRO 24 1HB PRO 24 -6.958 15.637 0.353 181 2HB PRO 24 2HB PRO 24 -6.520 14.982 1.944 182 1HG PRO 24 1HG PRO 24 -5.586 14.168 -0.760 183 2HG PRO 24 2HG PRO 24 -4.688 14.269 0.763 184 1HD PRO 24 1HD PRO 24 -5.610 11.927 -0.307 185 2HD PRO 24 2HD PRO 24 -5.334 12.182 1.431 186 H GLU 25 H GLU 25 -10.249 14.871 0.627 187 HA GLU 25 HA GLU 25 -11.146 13.959 -1.883 188 1HB GLU 25 1HB GLU 25 -11.591 16.571 -0.404 189 2HB GLU 25 2HB GLU 25 -12.582 16.023 -1.755 190 1HG GLU 25 1HG GLU 25 -12.141 14.334 0.713 191 2HG GLU 25 2HG GLU 25 -13.477 15.479 0.578 192 H ASP 26 H ASP 26 -9.268 16.906 -1.121 193 HA ASP 26 HA ASP 26 -9.156 18.072 -3.682 194 1HB ASP 26 1HB ASP 26 -7.155 17.884 -1.413 195 2HB ASP 26 2HB ASP 26 -6.942 18.960 -2.794 196 H LEU 27 H LEU 27 -7.545 15.207 -2.465 197 HA LEU 27 HA LEU 27 -5.666 15.095 -4.747 198 1HB LEU 27 1HB LEU 27 -4.934 14.450 -2.508 199 2HB LEU 27 2HB LEU 27 -6.252 13.284 -2.382 200 HG LEU 27 HG LEU 27 -5.298 12.118 -4.411 201 1HD1 LEU 27 1HD1 LEU 27 -3.321 14.325 -4.046 202 2HD1 LEU 27 2HD1 LEU 27 -2.696 12.747 -4.523 203 3HD1 LEU 27 3HD1 LEU 27 -3.892 13.564 -5.530 204 1HD2 LEU 27 1HD2 LEU 27 -3.996 12.331 -1.737 205 2HD2 LEU 27 2HD2 LEU 27 -4.727 10.931 -2.522 206 3HD2 LEU 27 3HD2 LEU 27 -3.109 11.458 -2.987 207 H ILE 28 H ILE 28 -8.759 13.782 -3.779 208 HA ILE 28 HA ILE 28 -8.749 11.510 -5.595 209 HB ILE 28 HB ILE 28 -10.912 13.054 -4.131 210 1HG1 ILE 28 1HG1 ILE 28 -9.609 10.373 -3.557 211 2HG1 ILE 28 2HG1 ILE 28 -9.201 11.881 -2.738 212 1HG2 ILE 28 1HG2 ILE 28 -11.024 10.782 -6.035 213 2HG2 ILE 28 2HG2 ILE 28 -11.957 10.583 -4.551 214 3HG2 ILE 28 3HG2 ILE 28 -12.268 11.958 -5.612 215 1HD1 ILE 28 1HD1 ILE 28 -12.082 11.134 -2.819 216 2HD1 ILE 28 2HD1 ILE 28 -11.040 10.177 -1.766 217 3HD1 ILE 28 3HD1 ILE 28 -11.160 11.922 -1.539 218 H LYS 29 H LYS 29 -10.100 14.815 -5.714 219 HA LYS 29 HA LYS 29 -11.303 14.465 -8.341 220 1HB LYS 29 1HB LYS 29 -11.680 16.891 -8.107 221 2HB LYS 29 2HB LYS 29 -12.068 16.062 -6.599 222 1HG LYS 29 1HG LYS 29 -9.838 16.635 -5.707 223 2HG LYS 29 2HG LYS 29 -9.454 17.472 -7.211 224 1HD LYS 29 1HD LYS 29 -10.180 19.190 -5.745 225 2HD LYS 29 2HD LYS 29 -11.576 18.866 -6.773 226 1HE LYS 29 1HE LYS 29 -12.768 17.833 -5.064 227 2HE LYS 29 2HE LYS 29 -11.296 17.320 -4.213 228 1HZ LYS 29 1HZ LYS 29 -12.219 20.130 -4.519 229 2HZ LYS 29 2HZ LYS 29 -12.345 19.208 -3.100 230 3HZ LYS 29 3HZ LYS 29 -10.815 19.627 -3.705 231 H MET 30 H MET 30 -8.123 15.258 -7.179 232 HA MET 30 HA MET 30 -7.292 16.460 -9.761 233 1HB MET 30 1HB MET 30 -6.110 16.038 -7.022 234 2HB MET 30 2HB MET 30 -5.071 16.487 -8.374 235 1HG MET 30 1HG MET 30 -7.561 18.020 -7.580 236 2HG MET 30 2HG MET 30 -5.933 18.455 -7.063 237 1HE MET 30 1HE MET 30 -4.092 18.945 -8.365 238 2HE MET 30 2HE MET 30 -4.094 17.867 -9.767 239 3HE MET 30 3HE MET 30 -4.054 19.613 -9.995 240 H ALA 31 H ALA 31 -7.052 13.443 -7.976 241 HA ALA 31 HA ALA 31 -5.152 12.356 -10.014 242 1HB ALA 31 1HB ALA 31 -5.812 11.875 -7.153 243 2HB ALA 31 2HB ALA 31 -5.361 10.455 -8.095 244 3HB ALA 31 3HB ALA 31 -4.249 11.818 -7.968 245 H ARG 32 H ARG 32 -8.402 12.614 -9.632 246 HA ARG 32 HA ARG 32 -9.302 9.885 -10.021 247 1HB ARG 32 1HB ARG 32 -11.422 10.913 -10.190 248 2HB ARG 32 2HB ARG 32 -10.512 12.038 -9.180 249 1HG ARG 32 1HG ARG 32 -10.033 13.453 -11.100 250 2HG ARG 32 2HG ARG 32 -10.797 12.293 -12.187 251 1HD ARG 32 1HD ARG 32 -12.971 12.656 -11.097 252 2HD ARG 32 2HD ARG 32 -12.218 13.780 -9.947 253 HE ARG 32 HE ARG 32 -11.722 14.425 -12.768 254 1HH1 ARG 32 1HH1 ARG 32 -11.975 16.194 -10.203 255 2HH1 ARG 32 2HH1 ARG 32 -13.386 17.110 -10.617 256 1HH2 ARG 32 1HH2 ARG 32 -14.303 15.016 -13.225 257 2HH2 ARG 32 2HH2 ARG 32 -14.704 16.442 -12.328 258 H ASP 33 H ASP 33 -7.434 11.733 -12.003 259 HA ASP 33 HA ASP 33 -8.266 10.214 -14.402 260 1HB ASP 33 1HB ASP 33 -9.620 12.377 -14.176 261 2HB ASP 33 2HB ASP 33 -8.103 13.239 -14.443 262 H ILE 34 H ILE 34 -5.887 9.964 -12.935 263 HA ILE 34 HA ILE 34 -3.879 11.315 -14.712 264 HB ILE 34 HB ILE 34 -4.040 10.746 -11.776 265 1HG1 ILE 34 1HG1 ILE 34 -2.867 13.007 -13.429 266 2HG1 ILE 34 2HG1 ILE 34 -4.470 13.006 -12.694 267 1HG2 ILE 34 1HG2 ILE 34 -1.677 10.292 -13.476 268 2HG2 ILE 34 2HG2 ILE 34 -1.390 11.386 -12.123 269 3HG2 ILE 34 3HG2 ILE 34 -1.995 9.756 -11.826 270 1HD1 ILE 34 1HD1 ILE 34 -3.167 12.495 -10.479 271 2HD1 ILE 34 2HD1 ILE 34 -1.780 13.139 -11.357 272 3HD1 ILE 34 3HD1 ILE 34 -3.202 14.148 -11.092 273 H LYS 35 H LYS 35 -3.015 9.815 -16.094 274 HA LYS 35 HA LYS 35 -3.039 6.941 -15.377 275 1HB LYS 35 1HB LYS 35 -2.307 8.539 -17.851 276 2HB LYS 35 2HB LYS 35 -2.241 6.778 -17.773 277 1HG LYS 35 1HG LYS 35 -4.406 6.852 -18.442 278 2HG LYS 35 2HG LYS 35 -4.752 7.306 -16.773 279 1HD LYS 35 1HD LYS 35 -4.909 9.585 -17.285 280 2HD LYS 35 2HD LYS 35 -3.968 9.415 -18.768 281 1HE LYS 35 1HE LYS 35 -5.836 8.146 -19.803 282 2HE LYS 35 2HE LYS 35 -6.790 8.373 -18.323 283 1HZ LYS 35 1HZ LYS 35 -5.539 10.634 -19.775 284 2HZ LYS 35 2HZ LYS 35 -7.114 10.105 -20.115 285 3HZ LYS 35 3HZ LYS 35 -6.735 10.697 -18.569 286 HA PRO 36 HA PRO 36 1.253 8.085 -14.142 287 1HB PRO 36 1HB PRO 36 1.308 6.470 -11.933 288 2HB PRO 36 2HB PRO 36 0.670 8.127 -11.903 289 1HG PRO 36 1HG PRO 36 -0.790 5.538 -12.028 290 2HG PRO 36 2HG PRO 36 -1.199 7.025 -11.157 291 1HD PRO 36 1HD PRO 36 -2.363 6.274 -13.515 292 2HD PRO 36 2HD PRO 36 -2.218 7.961 -12.976 293 H ILE 37 H ILE 37 2.952 6.914 -14.990 294 HA ILE 37 HA ILE 37 2.460 4.207 -16.019 295 HB ILE 37 HB ILE 37 4.899 6.015 -16.004 296 1HG1 ILE 37 1HG1 ILE 37 3.302 5.561 -18.462 297 2HG1 ILE 37 2HG1 ILE 37 2.513 6.522 -17.211 298 1HG2 ILE 37 1HG2 ILE 37 4.266 3.378 -17.289 299 2HG2 ILE 37 2HG2 ILE 37 5.307 4.520 -18.139 300 3HG2 ILE 37 3HG2 ILE 37 5.769 3.922 -16.545 301 1HD1 ILE 37 1HD1 ILE 37 5.327 7.079 -18.178 302 2HD1 ILE 37 2HD1 ILE 37 3.903 7.849 -18.878 303 3HD1 ILE 37 3HD1 ILE 37 4.305 8.116 -17.182 304 H VAL 38 H VAL 38 4.007 2.421 -15.517 305 HA VAL 38 HA VAL 38 5.334 2.653 -12.850 306 HB VAL 38 HB VAL 38 3.284 0.611 -13.761 307 1HG1 VAL 38 1HG1 VAL 38 5.046 0.674 -11.294 308 2HG1 VAL 38 2HG1 VAL 38 3.649 -0.385 -11.485 309 3HG1 VAL 38 3HG1 VAL 38 5.040 -0.558 -12.556 310 1HG2 VAL 38 1HG2 VAL 38 3.340 2.903 -11.837 311 2HG2 VAL 38 2HG2 VAL 38 2.039 2.365 -12.899 312 3HG2 VAL 38 3HG2 VAL 38 2.381 1.486 -11.409 313 H GLU 39 H GLU 39 7.432 2.063 -13.254 314 HA GLU 39 HA GLU 39 8.017 0.131 -15.441 315 1HB GLU 39 1HB GLU 39 9.108 2.466 -14.973 316 2HB GLU 39 2HB GLU 39 10.019 1.600 -13.735 317 1HG GLU 39 1HG GLU 39 10.869 0.030 -15.401 318 2HG GLU 39 2HG GLU 39 9.884 0.788 -16.653 319 H ILE 40 H ILE 40 8.771 -1.928 -15.001 320 HA ILE 40 HA ILE 40 9.359 -2.599 -12.133 321 HB ILE 40 HB ILE 40 8.021 -4.263 -14.292 322 1HG1 ILE 40 1HG1 ILE 40 6.593 -2.410 -13.550 323 2HG1 ILE 40 2HG1 ILE 40 5.982 -3.933 -12.901 324 1HG2 ILE 40 1HG2 ILE 40 9.392 -5.145 -12.078 325 2HG2 ILE 40 2HG2 ILE 40 7.750 -5.003 -11.453 326 3HG2 ILE 40 3HG2 ILE 40 8.075 -6.023 -12.855 327 1HD1 ILE 40 1HD1 ILE 40 7.760 -3.156 -10.951 328 2HD1 ILE 40 2HD1 ILE 40 7.101 -1.609 -11.484 329 3HD1 ILE 40 3HD1 ILE 40 6.020 -2.872 -10.896 330 H GLN 41 H GLN 41 11.327 -3.587 -11.812 331 HA GLN 41 HA GLN 41 12.714 -4.779 -14.189 332 1HB GLN 41 1HB GLN 41 13.419 -2.418 -13.512 333 2HB GLN 41 2HB GLN 41 14.016 -3.125 -12.011 334 1HG GLN 41 1HG GLN 41 15.480 -4.637 -13.303 335 2HG GLN 41 2HG GLN 41 14.892 -3.922 -14.803 336 1HE2 GLN 41 2HE2 GLN 41 15.736 -1.859 -15.428 337 2HE2 GLN 41 1HE2 GLN 41 16.948 -1.056 -14.553 338 H GLN 42 H GLN 42 11.515 -6.621 -12.769 339 HA GLN 42 HA GLN 42 12.588 -7.467 -10.277 340 1HB GLN 42 1HB GLN 42 10.531 -8.261 -11.551 341 2HB GLN 42 2HB GLN 42 11.620 -9.219 -12.554 342 1HG GLN 42 1HG GLN 42 12.438 -10.409 -10.572 343 2HG GLN 42 2HG GLN 42 11.409 -9.421 -9.535 344 1HE2 GLN 42 2HE2 GLN 42 11.183 -12.319 -9.733 345 2HE2 GLN 42 1HE2 GLN 42 9.657 -12.663 -10.390 346 H LYS 43 H LYS 43 14.021 -9.428 -9.975 347 HA LYS 43 HA LYS 43 15.872 -10.141 -12.132 348 1HB LYS 43 1HB LYS 43 16.509 -8.158 -9.969 349 2HB LYS 43 2HB LYS 43 17.793 -9.210 -10.565 350 1HG LYS 43 1HG LYS 43 17.085 -8.479 -12.920 351 2HG LYS 43 2HG LYS 43 16.147 -7.213 -12.127 352 1HD LYS 43 1HD LYS 43 19.121 -7.659 -11.738 353 2HD LYS 43 2HD LYS 43 18.417 -6.429 -12.786 354 1HE LYS 43 1HE LYS 43 17.125 -5.647 -10.673 355 2HE LYS 43 2HE LYS 43 18.321 -6.600 -9.773 356 1HZ LYS 43 1HZ LYS 43 20.083 -5.442 -10.965 357 2HZ LYS 43 2HZ LYS 43 18.933 -4.505 -11.792 358 3HZ LYS 43 3HZ LYS 43 19.112 -4.338 -10.113 359 H GLY 44 H GLY 44 14.127 -11.587 -10.296 360 1HA GLY 44 1HA GLY 44 14.971 -13.893 -9.600 361 2HA GLY 44 2HA GLY 44 16.159 -13.019 -8.630 362 H ASP 45 H ASP 45 15.526 -12.164 -6.644 363 HA ASP 45 HA ASP 45 12.731 -12.832 -5.786 364 1HB ASP 45 1HB ASP 45 15.450 -12.888 -4.527 365 2HB ASP 45 2HB ASP 45 14.054 -12.615 -3.483 366 H ASP 46 H ASP 46 14.789 -10.247 -6.528 367 HA ASP 46 HA ASP 46 13.445 -8.383 -4.622 368 1HB ASP 46 1HB ASP 46 15.832 -8.114 -6.481 369 2HB ASP 46 2HB ASP 46 15.275 -6.859 -5.373 370 H PHE 47 H PHE 47 12.536 -6.375 -5.502 371 HA PHE 47 HA PHE 47 11.899 -6.447 -8.424 372 1HB PHE 47 1HB PHE 47 9.991 -6.147 -6.083 373 2HB PHE 47 2HB PHE 47 9.534 -5.907 -7.769 374 HD1 PHE 47 HD1 PHE 47 11.069 -8.421 -5.460 375 HD2 PHE 47 HD2 PHE 47 8.886 -7.737 -9.096 376 HE1 PHE 47 HE1 PHE 47 10.736 -10.864 -5.720 377 HE2 PHE 47 HE2 PHE 47 8.553 -10.180 -9.356 378 HZ PHE 47 HZ PHE 47 9.479 -11.744 -7.668 379 H VAL 48 H VAL 48 11.886 -4.397 -9.353 380 HA VAL 48 HA VAL 48 12.296 -2.076 -7.494 381 HB VAL 48 HB VAL 48 13.281 -2.580 -10.323 382 1HG1 VAL 48 1HG1 VAL 48 12.884 -0.174 -9.721 383 2HG1 VAL 48 2HG1 VAL 48 14.008 -0.372 -8.375 384 3HG1 VAL 48 3HG1 VAL 48 14.579 -0.547 -10.034 385 1HG2 VAL 48 1HG2 VAL 48 14.599 -2.755 -7.601 386 2HG2 VAL 48 2HG2 VAL 48 14.474 -4.021 -8.824 387 3HG2 VAL 48 3HG2 VAL 48 15.524 -2.630 -9.099 388 H VAL 49 H VAL 49 10.241 -1.150 -7.406 389 HA VAL 49 HA VAL 49 8.749 -0.776 -9.968 390 HB VAL 49 HB VAL 49 7.936 -0.477 -7.058 391 1HG1 VAL 49 1HG1 VAL 49 6.620 0.114 -9.622 392 2HG1 VAL 49 2HG1 VAL 49 5.667 -0.923 -8.560 393 3HG1 VAL 49 3HG1 VAL 49 6.207 0.658 -7.995 394 1HG2 VAL 49 1HG2 VAL 49 8.103 -2.768 -8.916 395 2HG2 VAL 49 2HG2 VAL 49 8.054 -2.752 -7.153 396 3HG2 VAL 49 3HG2 VAL 49 6.558 -2.614 -8.079 397 H THR 50 H THR 50 8.710 1.251 -10.862 398 HA THR 50 HA THR 50 9.307 3.595 -9.086 399 HB THR 50 HB THR 50 10.304 2.984 -11.888 400 HG1 THR 50 HG1 THR 50 11.746 1.995 -10.733 401 1HG2 THR 50 1HG2 THR 50 11.752 5.114 -10.881 402 2HG2 THR 50 2HG2 THR 50 10.444 5.234 -12.058 403 3HG2 THR 50 3HG2 THR 50 10.110 5.465 -10.342 404 H SER 51 H SER 51 7.174 4.391 -9.007 405 HA SER 51 HA SER 51 5.523 4.550 -11.432 406 1HB SER 51 1HB SER 51 5.213 5.563 -8.589 407 2HB SER 51 2HB SER 51 3.943 5.620 -9.808 408 HG SER 51 HG SER 51 3.736 3.487 -9.713 409 H LYS 52 H LYS 52 5.173 6.416 -12.647 410 HA LYS 52 HA LYS 52 6.524 8.932 -11.732 411 1HB LYS 52 1HB LYS 52 6.555 7.571 -14.443 412 2HB LYS 52 2HB LYS 52 7.173 9.198 -14.157 413 1HG LYS 52 1HG LYS 52 8.692 8.231 -12.394 414 2HG LYS 52 2HG LYS 52 8.170 6.625 -12.906 415 1HD LYS 52 1HD LYS 52 8.834 7.521 -15.305 416 2HD LYS 52 2HD LYS 52 9.841 8.632 -14.376 417 1HE LYS 52 1HE LYS 52 11.120 6.878 -13.435 418 2HE LYS 52 2HE LYS 52 9.892 5.658 -13.828 419 1HZ LYS 52 1HZ LYS 52 10.249 6.193 -16.199 420 2HZ LYS 52 2HZ LYS 52 11.538 7.207 -15.756 421 3HZ LYS 52 3HZ LYS 52 11.633 5.540 -15.459 422 H THR 53 H THR 53 4.740 10.231 -11.332 423 HA THR 53 HA THR 53 2.397 10.119 -13.150 424 HB THR 53 HB THR 53 2.208 12.106 -11.097 425 HG1 THR 53 HG1 THR 53 3.172 9.588 -10.217 426 1HG2 THR 53 1HG2 THR 53 1.024 9.452 -10.601 427 2HG2 THR 53 2HG2 THR 53 0.243 11.028 -10.731 428 3HG2 THR 53 3HG2 THR 53 0.660 10.128 -12.189 429 HA PRO 54 HA PRO 54 3.363 13.824 -15.290 430 1HB PRO 54 1HB PRO 54 0.959 15.127 -15.379 431 2HB PRO 54 2HB PRO 54 1.303 13.669 -16.331 432 1HG PRO 54 1HG PRO 54 -0.226 13.957 -13.797 433 2HG PRO 54 2HG PRO 54 -0.534 12.908 -15.188 434 1HD PRO 54 1HD PRO 54 0.599 12.044 -12.854 435 2HD PRO 54 2HD PRO 54 0.876 11.275 -14.432 436 H ARG 55 H ARG 55 1.685 14.203 -12.205 437 HA ARG 55 HA ARG 55 2.598 17.020 -11.952 438 1HB ARG 55 1HB ARG 55 0.300 16.421 -11.348 439 2HB ARG 55 2HB ARG 55 0.891 15.189 -10.233 440 1HG ARG 55 1HG ARG 55 2.164 17.100 -9.068 441 2HG ARG 55 2HG ARG 55 1.136 18.189 -9.998 442 1HD ARG 55 1HD ARG 55 -0.875 17.217 -9.017 443 2HD ARG 55 2HD ARG 55 0.095 15.995 -8.169 444 HE ARG 55 HE ARG 55 0.947 18.743 -7.633 445 1HH1 ARG 55 1HH1 ARG 55 0.900 16.152 -5.881 446 2HH1 ARG 55 2HH1 ARG 55 -0.194 16.660 -4.639 447 1HH2 ARG 55 1HH2 ARG 55 -1.351 19.407 -6.409 448 2HH2 ARG 55 2HH2 ARG 55 -1.469 18.502 -4.937 449 H GLN 56 H GLN 56 3.421 13.806 -10.878 450 HA GLN 56 HA GLN 56 5.842 14.813 -9.558 451 1HB GLN 56 1HB GLN 56 5.185 13.835 -7.352 452 2HB GLN 56 2HB GLN 56 4.127 15.161 -7.839 453 1HG GLN 56 1HG GLN 56 2.348 13.742 -8.336 454 2HG GLN 56 2HG GLN 56 3.402 12.355 -8.613 455 1HE2 GLN 56 2HE2 GLN 56 2.005 11.140 -7.048 456 2HE2 GLN 56 1HE2 GLN 56 2.223 11.372 -5.380 457 H THR 57 H THR 57 7.112 12.883 -8.645 458 HA THR 57 HA THR 57 6.398 10.330 -10.043 459 HB THR 57 HB THR 57 8.947 10.246 -10.489 460 HG1 THR 57 HG1 THR 57 9.929 12.273 -10.494 461 1HG2 THR 57 1HG2 THR 57 8.703 11.676 -12.508 462 2HG2 THR 57 2HG2 THR 57 7.311 10.620 -12.267 463 3HG2 THR 57 3HG2 THR 57 7.207 12.328 -11.839 464 H VAL 58 H VAL 58 6.412 8.672 -8.578 465 HA VAL 58 HA VAL 58 8.175 8.937 -6.161 466 HB VAL 58 HB VAL 58 5.436 7.657 -6.460 467 1HG1 VAL 58 1HG1 VAL 58 7.475 7.741 -4.293 468 2HG1 VAL 58 2HG1 VAL 58 5.797 7.983 -3.807 469 3HG1 VAL 58 3HG1 VAL 58 6.266 6.509 -4.653 470 1HG2 VAL 58 1HG2 VAL 58 6.385 10.321 -5.402 471 2HG2 VAL 58 2HG2 VAL 58 5.086 9.996 -6.550 472 3HG2 VAL 58 3HG2 VAL 58 4.873 9.605 -4.844 473 H THR 59 H THR 59 9.674 7.314 -6.037 474 HA THR 59 HA THR 59 9.176 4.805 -7.603 475 HB THR 59 HB THR 59 11.758 6.107 -6.676 476 HG1 THR 59 HG1 THR 59 11.502 7.293 -8.367 477 1HG2 THR 59 1HG2 THR 59 12.437 4.481 -8.724 478 2HG2 THR 59 2HG2 THR 59 12.459 3.960 -7.039 479 3HG2 THR 59 3HG2 THR 59 11.076 3.573 -8.064 480 H ASN 60 H ASN 60 9.591 2.799 -6.557 481 HA ASN 60 HA ASN 60 10.365 2.874 -3.678 482 1HB ASN 60 1HB ASN 60 7.852 1.645 -4.858 483 2HB ASN 60 2HB ASN 60 8.370 1.455 -3.182 484 1HD2 ASN 60 2HD2 ASN 60 9.246 4.057 -2.565 485 2HD2 ASN 60 1HD2 ASN 60 7.940 5.136 -2.675 486 H SER 61 H SER 61 11.342 0.915 -2.985 487 HA SER 61 HA SER 61 11.554 -1.287 -4.999 488 1HB SER 61 1HB SER 61 13.469 0.308 -5.171 489 2HB SER 61 2HB SER 61 13.837 0.012 -3.474 490 HG SER 61 HG SER 61 14.808 -1.311 -5.404 491 H PHE 62 H PHE 62 11.578 -3.329 -4.045 492 HA PHE 62 HA PHE 62 12.122 -3.593 -1.141 493 1HB PHE 62 1HB PHE 62 9.901 -4.567 -0.743 494 2HB PHE 62 2HB PHE 62 9.729 -2.944 -1.413 495 HD1 PHE 62 HD1 PHE 62 9.666 -6.565 -2.269 496 HD2 PHE 62 HD2 PHE 62 8.685 -2.576 -3.524 497 HE1 PHE 62 HE1 PHE 62 8.359 -7.484 -4.165 498 HE2 PHE 62 HE2 PHE 62 7.378 -3.495 -5.421 499 HZ PHE 62 HZ PHE 62 7.215 -5.949 -5.742 500 H THR 63 H THR 63 12.095 -5.962 -0.518 501 HA THR 63 HA THR 63 12.863 -7.671 -2.862 502 HB THR 63 HB THR 63 13.764 -7.742 0.037 503 HG1 THR 63 HG1 THR 63 14.727 -6.016 -0.825 504 1HG2 THR 63 1HG2 THR 63 15.616 -9.167 -1.142 505 2HG2 THR 63 2HG2 THR 63 14.073 -9.923 -0.747 506 3HG2 THR 63 3HG2 THR 63 14.396 -9.387 -2.396 507 H LEU 64 H LEU 64 12.164 -9.891 -2.793 508 HA LEU 64 HA LEU 64 9.588 -10.314 -1.480 509 1HB LEU 64 1HB LEU 64 10.719 -11.133 -3.780 510 2HB LEU 64 2HB LEU 64 11.130 -12.519 -2.769 511 HG LEU 64 HG LEU 64 8.642 -12.473 -2.049 512 1HD1 LEU 64 1HD1 LEU 64 8.549 -10.835 -4.602 513 2HD1 LEU 64 2HD1 LEU 64 7.141 -11.524 -3.794 514 3HD1 LEU 64 3HD1 LEU 64 8.096 -10.278 -2.990 515 1HD2 LEU 64 1HD2 LEU 64 9.973 -13.957 -3.845 516 2HD2 LEU 64 2HD2 LEU 64 8.232 -14.122 -3.611 517 3HD2 LEU 64 3HD2 LEU 64 8.855 -13.155 -4.948 518 H GLY 65 H GLY 65 9.387 -11.089 0.581 519 1HA GLY 65 1HA GLY 65 9.775 -12.723 2.305 520 2HA GLY 65 2HA GLY 65 11.321 -13.113 1.552 521 H LYS 66 H LYS 66 10.727 -9.762 1.802 522 HA LYS 66 HA LYS 66 12.121 -9.553 4.428 523 1HB LYS 66 1HB LYS 66 13.059 -8.552 1.730 524 2HB LYS 66 2HB LYS 66 13.691 -7.904 3.244 525 1HG LYS 66 1HG LYS 66 14.295 -10.247 3.922 526 2HG LYS 66 2HG LYS 66 13.816 -10.785 2.311 527 1HD LYS 66 1HD LYS 66 16.165 -10.451 2.167 528 2HD LYS 66 2HD LYS 66 15.454 -9.023 1.412 529 1HE LYS 66 1HE LYS 66 15.711 -7.771 3.540 530 2HE LYS 66 2HE LYS 66 16.460 -9.202 4.276 531 1HZ LYS 66 1HZ LYS 66 18.082 -9.195 2.438 532 2HZ LYS 66 2HZ LYS 66 17.420 -7.738 1.873 533 3HZ LYS 66 3HZ LYS 66 18.180 -7.793 3.393 534 H GLU 67 H GLU 67 11.379 -7.788 5.584 535 HA GLU 67 HA GLU 67 9.106 -6.284 4.673 536 1HB GLU 67 1HB GLU 67 9.697 -6.830 7.030 537 2HB GLU 67 2HB GLU 67 11.082 -5.745 6.915 538 1HG GLU 67 1HG GLU 67 9.540 -3.867 6.394 539 2HG GLU 67 2HG GLU 67 8.170 -4.959 6.594 540 H ALA 68 H ALA 68 9.126 -4.566 3.282 541 HA ALA 68 HA ALA 68 11.623 -2.906 3.118 542 1HB ALA 68 1HB ALA 68 9.768 -4.091 1.078 543 2HB ALA 68 2HB ALA 68 10.602 -2.586 0.693 544 3HB ALA 68 3HB ALA 68 11.531 -4.035 1.078 545 H ASP 69 H ASP 69 11.285 -0.631 2.854 546 HA ASP 69 HA ASP 69 8.750 0.369 3.958 547 1HB ASP 69 1HB ASP 69 11.288 1.722 2.982 548 2HB ASP 69 2HB ASP 69 10.001 2.518 3.889 549 H ILE 70 H ILE 70 7.102 1.240 2.743 550 HA ILE 70 HA ILE 70 7.641 1.763 -0.164 551 HB ILE 70 HB ILE 70 5.254 0.597 1.297 552 1HG1 ILE 70 1HG1 ILE 70 7.108 -0.960 0.824 553 2HG1 ILE 70 2HG1 ILE 70 5.709 -1.339 -0.181 554 1HG2 ILE 70 1HG2 ILE 70 4.642 2.226 -0.551 555 2HG2 ILE 70 2HG2 ILE 70 5.486 1.156 -1.671 556 3HG2 ILE 70 3HG2 ILE 70 4.068 0.576 -0.796 557 1HD1 ILE 70 1HD1 ILE 70 7.105 0.528 -1.696 558 2HD1 ILE 70 2HD1 ILE 70 8.380 -0.459 -0.980 559 3HD1 ILE 70 3HD1 ILE 70 7.115 -1.218 -1.946 560 H THR 71 H THR 71 6.694 3.656 -1.032 561 HA THR 71 HA THR 71 5.363 5.476 0.951 562 HB THR 71 HB THR 71 7.095 6.328 -1.374 563 HG1 THR 71 HG1 THR 71 8.819 6.330 0.075 564 1HG2 THR 71 1HG2 THR 71 6.482 7.630 1.293 565 2HG2 THR 71 2HG2 THR 71 7.353 8.356 -0.058 566 3HG2 THR 71 3HG2 THR 71 5.635 7.992 -0.210 567 H THR 72 H THR 72 3.457 6.415 0.245 568 HA THR 72 HA THR 72 2.402 5.564 -2.387 569 HB THR 72 HB THR 72 0.293 6.380 -1.441 570 HG1 THR 72 HG1 THR 72 0.979 8.207 -0.395 571 1HG2 THR 72 1HG2 THR 72 1.335 5.192 1.022 572 2HG2 THR 72 2HG2 THR 72 0.112 4.578 -0.091 573 3HG2 THR 72 3HG2 THR 72 1.822 4.307 -0.424 574 H MET 73 H MET 73 1.334 7.223 -3.784 575 HA MET 73 HA MET 73 3.057 9.532 -4.211 576 1HB MET 73 1HB MET 73 0.730 8.172 -5.465 577 2HB MET 73 2HB MET 73 0.923 9.882 -5.850 578 1HG MET 73 1HG MET 73 3.295 9.434 -6.481 579 2HG MET 73 2HG MET 73 3.014 7.716 -6.203 580 1HE MET 73 1HE MET 73 0.516 6.880 -7.015 581 2HE MET 73 2HE MET 73 0.428 6.672 -8.762 582 3HE MET 73 3HE MET 73 1.849 6.109 -7.885 583 H ASP 74 H ASP 74 0.356 8.953 -2.212 584 HA ASP 74 HA ASP 74 -0.674 11.721 -2.303 585 1HB ASP 74 1HB ASP 74 -2.272 10.799 -0.649 586 2HB ASP 74 2HB ASP 74 -2.152 9.752 -2.064 587 H GLY 75 H GLY 75 1.729 9.939 -0.603 588 1HA GLY 75 1HA GLY 75 3.326 11.209 0.786 589 2HA GLY 75 2HA GLY 75 1.969 12.181 1.359 590 H LYS 76 H LYS 76 1.710 8.704 1.010 591 HA LYS 76 HA LYS 76 1.435 8.503 3.983 592 1HB LYS 76 1HB LYS 76 0.041 7.482 1.637 593 2HB LYS 76 2HB LYS 76 0.482 6.178 2.738 594 1HG LYS 76 1HG LYS 76 -0.478 7.632 4.614 595 2HG LYS 76 2HG LYS 76 -1.172 8.635 3.339 596 1HD LYS 76 1HD LYS 76 -2.176 6.476 2.392 597 2HD LYS 76 2HD LYS 76 -1.736 5.724 3.925 598 1HE LYS 76 1HE LYS 76 -3.150 7.230 5.168 599 2HE LYS 76 2HE LYS 76 -3.426 8.240 3.734 600 1HZ LYS 76 1HZ LYS 76 -4.325 6.222 2.628 601 2HZ LYS 76 2HZ LYS 76 -4.243 5.410 4.118 602 3HZ LYS 76 3HZ LYS 76 -5.266 6.755 3.935 603 H LYS 77 H LYS 77 2.998 7.370 5.071 604 HA LYS 77 HA LYS 77 4.914 5.720 3.470 605 1HB LYS 77 1HB LYS 77 5.081 7.053 6.193 606 2HB LYS 77 2HB LYS 77 6.386 6.125 5.452 607 1HG LYS 77 1HG LYS 77 6.432 7.681 3.548 608 2HG LYS 77 2HG LYS 77 5.107 8.602 4.259 609 1HD LYS 77 1HD LYS 77 6.488 9.133 6.213 610 2HD LYS 77 2HD LYS 77 7.810 8.163 5.561 611 1HE LYS 77 1HE LYS 77 8.282 10.477 5.009 612 2HE LYS 77 2HE LYS 77 7.752 9.687 3.509 613 1HZ LYS 77 1HZ LYS 77 5.917 11.081 5.383 614 2HZ LYS 77 2HZ LYS 77 6.572 11.809 3.995 615 3HZ LYS 77 3HZ LYS 77 5.541 10.472 3.842 616 H LEU 78 H LEU 78 5.168 3.543 3.975 617 HA LEU 78 HA LEU 78 4.281 2.386 6.496 618 1HB LEU 78 1HB LEU 78 2.377 1.141 5.524 619 2HB LEU 78 2HB LEU 78 2.130 2.881 5.372 620 HG LEU 78 HG LEU 78 3.589 1.688 3.111 621 1HD1 LEU 78 1HD1 LEU 78 0.981 0.596 4.021 622 2HD1 LEU 78 2HD1 LEU 78 1.099 0.992 2.306 623 3HD1 LEU 78 3HD1 LEU 78 2.230 -0.154 3.027 624 1HD2 LEU 78 1HD2 LEU 78 1.370 3.646 3.623 625 2HD2 LEU 78 2HD2 LEU 78 2.886 3.881 2.753 626 3HD2 LEU 78 3HD2 LEU 78 1.567 2.984 2.000 627 H LYS 79 H LYS 79 4.831 0.109 6.604 628 HA LYS 79 HA LYS 79 6.800 -0.713 4.525 629 1HB LYS 79 1HB LYS 79 6.169 -1.950 7.220 630 2HB LYS 79 2HB LYS 79 7.641 -2.148 6.270 631 1HG LYS 79 1HG LYS 79 8.373 0.045 6.714 632 2HG LYS 79 2HG LYS 79 6.761 0.585 7.182 633 1HD LYS 79 1HD LYS 79 8.045 -1.605 8.769 634 2HD LYS 79 2HD LYS 79 8.594 0.051 9.025 635 1HE LYS 79 1HE LYS 79 5.642 -0.576 9.017 636 2HE LYS 79 2HE LYS 79 6.611 -0.807 10.486 637 1HZ LYS 79 1HZ LYS 79 6.668 1.679 8.868 638 2HZ LYS 79 2HZ LYS 79 5.662 1.478 10.218 639 3HZ LYS 79 3HZ LYS 79 7.350 1.430 10.403 640 H CYS 80 H CYS 80 6.666 -2.843 3.581 641 HA CYS 80 HA CYS 80 4.288 -4.509 4.101 642 1HB CYS 80 1HB CYS 80 4.551 -2.560 1.902 643 2HB CYS 80 2HB CYS 80 4.072 -4.174 1.377 644 HG CYS 80 HG CYS 80 2.105 -3.987 3.230 645 H THR 81 H THR 81 4.829 -6.633 3.699 646 HA THR 81 HA THR 81 7.456 -7.183 2.424 647 HB THR 81 HB THR 81 5.566 -9.146 3.729 648 HG1 THR 81 HG1 THR 81 5.743 -7.509 5.200 649 1HG2 THR 81 1HG2 THR 81 7.704 -10.219 4.375 650 2HG2 THR 81 2HG2 THR 81 7.564 -10.045 2.626 651 3HG2 THR 81 3HG2 THR 81 8.584 -8.937 3.544 652 H VAL 82 H VAL 82 7.141 -7.191 0.181 653 HA VAL 82 HA VAL 82 4.762 -8.269 -1.090 654 HB VAL 82 HB VAL 82 7.537 -7.658 -2.162 655 1HG1 VAL 82 1HG1 VAL 82 4.847 -8.132 -3.445 656 2HG1 VAL 82 2HG1 VAL 82 6.097 -7.192 -4.261 657 3HG1 VAL 82 3HG1 VAL 82 6.397 -8.877 -3.837 658 1HG2 VAL 82 1HG2 VAL 82 5.839 -5.904 -0.910 659 2HG2 VAL 82 2HG2 VAL 82 6.997 -5.444 -2.157 660 3HG2 VAL 82 3HG2 VAL 82 5.316 -5.758 -2.587 661 H HIS 83 H HIS 83 4.494 -10.316 -2.028 662 HA HIS 83 HA HIS 83 6.775 -12.235 -1.925 663 1HB HIS 83 1HB HIS 83 5.288 -13.852 -0.758 664 2HB HIS 83 2HB HIS 83 5.544 -12.396 0.203 665 HD1 HIS 83 HD1 HIS 83 3.465 -11.316 1.049 666 HD2 HIS 83 HD2 HIS 83 2.723 -13.603 -2.357 667 HE1 HIS 83 HE1 HIS 83 0.966 -11.220 0.652 668 H LEU 84 H LEU 84 6.398 -14.117 -3.313 669 HA LEU 84 HA LEU 84 4.507 -13.516 -5.538 670 1HB LEU 84 1HB LEU 84 7.078 -14.986 -5.141 671 2HB LEU 84 2HB LEU 84 6.015 -15.545 -6.433 672 HG LEU 84 HG LEU 84 7.009 -12.701 -6.078 673 1HD1 LEU 84 1HD1 LEU 84 7.917 -15.047 -7.686 674 2HD1 LEU 84 2HD1 LEU 84 7.963 -13.465 -8.463 675 3HD1 LEU 84 3HD1 LEU 84 8.863 -13.742 -6.972 676 1HD2 LEU 84 1HD2 LEU 84 5.039 -14.024 -7.915 677 2HD2 LEU 84 2HD2 LEU 84 4.966 -12.431 -7.159 678 3HD2 LEU 84 3HD2 LEU 84 6.028 -12.704 -8.540 679 H ALA 85 H ALA 85 2.743 -14.829 -5.904 680 HA ALA 85 HA ALA 85 2.642 -17.503 -4.574 681 1HB ALA 85 1HB ALA 85 0.658 -15.219 -4.383 682 2HB ALA 85 2HB ALA 85 0.279 -16.868 -3.887 683 3HB ALA 85 3HB ALA 85 1.552 -15.970 -3.062 684 H ASN 86 H ASN 86 2.250 -18.919 -6.231 685 HA ASN 86 HA ASN 86 1.249 -19.856 -8.158 686 1HB ASN 86 1HB ASN 86 -0.693 -17.706 -7.295 687 2HB ASN 86 2HB ASN 86 -1.019 -18.733 -8.691 688 1HD2 ASN 86 2HD2 ASN 86 -0.289 -21.239 -7.975 689 2HD2 ASN 86 1HD2 ASN 86 -1.068 -21.746 -6.554 690 H GLY 87 H GLY 87 3.176 -17.510 -8.305 691 1HA GLY 87 1HA GLY 87 4.174 -16.395 -10.131 692 2HA GLY 87 2HA GLY 87 2.892 -17.028 -11.165 693 H LYS 88 H LYS 88 2.532 -15.083 -8.211 694 HA LYS 88 HA LYS 88 1.707 -12.727 -9.814 695 1HB LYS 88 1HB LYS 88 -0.107 -14.222 -7.891 696 2HB LYS 88 2HB LYS 88 -0.517 -12.722 -8.725 697 1HG LYS 88 1HG LYS 88 -0.251 -13.852 -10.901 698 2HG LYS 88 2HG LYS 88 0.162 -15.353 -10.072 699 1HD LYS 88 1HD LYS 88 -2.069 -15.243 -8.911 700 2HD LYS 88 2HD LYS 88 -2.475 -13.867 -9.938 701 1HE LYS 88 1HE LYS 88 -2.648 -15.171 -11.851 702 2HE LYS 88 2HE LYS 88 -1.486 -16.375 -11.259 703 1HZ LYS 88 1HZ LYS 88 -4.042 -15.918 -9.854 704 2HZ LYS 88 2HZ LYS 88 -3.971 -16.966 -11.186 705 3HZ LYS 88 3HZ LYS 88 -3.030 -17.282 -9.807 706 H LEU 89 H LEU 89 2.378 -10.903 -8.743 707 HA LEU 89 HA LEU 89 3.606 -11.103 -6.106 708 1HB LEU 89 1HB LEU 89 4.245 -9.643 -8.119 709 2HB LEU 89 2HB LEU 89 2.885 -8.613 -7.670 710 HG LEU 89 HG LEU 89 4.866 -9.379 -5.557 711 1HD1 LEU 89 1HD1 LEU 89 5.985 -8.485 -7.763 712 2HD1 LEU 89 2HD1 LEU 89 5.324 -6.934 -7.242 713 3HD1 LEU 89 3HD1 LEU 89 6.459 -7.801 -6.208 714 1HD2 LEU 89 1HD2 LEU 89 3.021 -7.062 -6.158 715 2HD2 LEU 89 2HD2 LEU 89 2.998 -8.144 -4.765 716 3HD2 LEU 89 3HD2 LEU 89 4.281 -6.944 -4.929 717 H VAL 90 H VAL 90 2.595 -10.742 -4.165 718 HA VAL 90 HA VAL 90 0.050 -9.171 -4.141 719 HB VAL 90 HB VAL 90 0.602 -11.911 -2.961 720 1HG1 VAL 90 1HG1 VAL 90 -1.519 -9.868 -2.414 721 2HG1 VAL 90 2HG1 VAL 90 -1.980 -11.570 -2.430 722 3HG1 VAL 90 3HG1 VAL 90 -0.744 -11.002 -1.307 723 1HG2 VAL 90 1HG2 VAL 90 -1.025 -10.832 -5.240 724 2HG2 VAL 90 2HG2 VAL 90 -0.035 -12.290 -5.169 725 3HG2 VAL 90 3HG2 VAL 90 -1.611 -12.255 -4.378 726 H THR 91 H THR 91 0.194 -7.610 -2.580 727 HA THR 91 HA THR 91 2.100 -8.060 -0.304 728 HB THR 91 HB THR 91 1.228 -5.549 -1.769 729 HG1 THR 91 HG1 THR 91 3.702 -6.919 -1.567 730 1HG2 THR 91 1HG2 THR 91 3.138 -4.573 -0.310 731 2HG2 THR 91 2HG2 THR 91 1.567 -4.831 0.447 732 3HG2 THR 91 3HG2 THR 91 2.875 -5.984 0.716 733 H LYS 92 H LYS 92 0.433 -8.959 1.075 734 HA LYS 92 HA LYS 92 -2.021 -7.412 1.580 735 1HB LYS 92 1HB LYS 92 -2.455 -9.302 3.129 736 2HB LYS 92 2HB LYS 92 -1.968 -9.880 1.535 737 1HG LYS 92 1HG LYS 92 0.376 -10.088 2.370 738 2HG LYS 92 2HG LYS 92 -0.188 -9.627 3.977 739 1HD LYS 92 1HD LYS 92 -1.800 -11.569 3.874 740 2HD LYS 92 2HD LYS 92 -0.996 -12.077 2.388 741 1HE LYS 92 1HE LYS 92 0.297 -13.284 3.872 742 2HE LYS 92 2HE LYS 92 1.168 -11.743 4.010 743 1HZ LYS 92 1HZ LYS 92 -0.357 -11.101 5.791 744 2HZ LYS 92 2HZ LYS 92 -1.122 -12.615 5.694 745 3HZ LYS 92 3HZ LYS 92 0.496 -12.515 6.193 746 H SER 93 H SER 93 -2.555 -6.777 3.869 747 HA SER 93 HA SER 93 -0.266 -6.337 5.689 748 1HB SER 93 1HB SER 93 -0.113 -4.476 4.120 749 2HB SER 93 2HB SER 93 -1.827 -4.124 4.319 750 HG SER 93 HG SER 93 -0.515 -2.771 5.614 751 H GLU 94 H GLU 94 -1.577 -4.344 7.257 752 HA GLU 94 HA GLU 94 -3.866 -5.946 8.332 753 1HB GLU 94 1HB GLU 94 -1.804 -4.070 9.493 754 2HB GLU 94 2HB GLU 94 -3.262 -4.486 10.395 755 1HG GLU 94 1HG GLU 94 -2.679 -6.925 10.009 756 2HG GLU 94 2HG GLU 94 -1.122 -6.376 9.387 757 H LYS 95 H LYS 95 -4.164 -4.042 6.104 758 HA LYS 95 HA LYS 95 -6.451 -2.566 7.037 759 1HB LYS 95 1HB LYS 95 -5.360 -0.286 6.778 760 2HB LYS 95 2HB LYS 95 -4.806 -1.214 8.173 761 1HG LYS 95 1HG LYS 95 -2.725 -1.613 7.260 762 2HG LYS 95 2HG LYS 95 -3.329 -1.574 5.603 763 1HD LYS 95 1HD LYS 95 -3.024 0.671 5.413 764 2HD LYS 95 2HD LYS 95 -3.596 0.980 7.053 765 1HE LYS 95 1HE LYS 95 -1.358 -0.036 7.846 766 2HE LYS 95 2HE LYS 95 -0.819 0.168 6.166 767 1HZ LYS 95 1HZ LYS 95 -2.043 2.311 7.824 768 2HZ LYS 95 2HZ LYS 95 -0.379 2.149 7.542 769 3HZ LYS 95 3HZ LYS 95 -1.430 2.478 6.249 770 H PHE 96 H PHE 96 -4.549 -3.849 4.658 771 HA PHE 96 HA PHE 96 -6.312 -3.158 2.510 772 1HB PHE 96 1HB PHE 96 -4.944 -1.512 1.348 773 2HB PHE 96 2HB PHE 96 -5.220 -0.942 2.994 774 HD1 PHE 96 HD1 PHE 96 -2.845 -3.418 1.464 775 HD2 PHE 96 HD2 PHE 96 -3.331 0.129 3.838 776 HE1 PHE 96 HE1 PHE 96 -0.396 -3.340 1.850 777 HE2 PHE 96 HE2 PHE 96 -0.883 0.207 4.223 778 HZ PHE 96 HZ PHE 96 0.584 -1.528 3.229 779 H SER 97 H SER 97 -5.758 -4.339 0.615 780 HA SER 97 HA SER 97 -3.273 -6.010 0.828 781 1HB SER 97 1HB SER 97 -6.094 -6.636 0.589 782 2HB SER 97 2HB SER 97 -5.198 -7.308 -0.771 783 HG SER 97 HG SER 97 -5.376 -8.442 1.457 784 H HIS 98 H HIS 98 -2.380 -6.672 -1.297 785 HA HIS 98 HA HIS 98 -3.250 -4.994 -3.609 786 1HB HIS 98 1HB HIS 98 -1.461 -3.846 -2.288 787 2HB HIS 98 2HB HIS 98 -0.412 -5.239 -2.556 788 HD2 HIS 98 HD2 HIS 98 -1.259 -1.947 -4.307 789 HE1 HIS 98 HE1 HIS 98 0.413 -4.431 -7.300 790 HE2 HIS 98 HE2 HIS 98 -0.297 -2.087 -6.709 791 H GLU 99 H GLU 99 -2.980 -6.060 -5.580 792 HA GLU 99 HA GLU 99 -1.267 -8.477 -5.723 793 1HB GLU 99 1HB GLU 99 -4.280 -8.429 -6.076 794 2HB GLU 99 2HB GLU 99 -3.260 -9.796 -6.527 795 1HG GLU 99 1HG GLU 99 -2.412 -9.846 -4.153 796 2HG GLU 99 2HG GLU 99 -3.626 -8.632 -3.753 797 H GLN 100 H GLN 100 -0.263 -8.409 -7.693 798 HA GLN 100 HA GLN 100 -1.686 -7.048 -9.960 799 1HB GLN 100 1HB GLN 100 0.134 -5.696 -8.985 800 2HB GLN 100 2HB GLN 100 1.256 -7.037 -9.210 801 1HG GLN 100 1HG GLN 100 1.170 -6.867 -11.568 802 2HG GLN 100 2HG GLN 100 -0.295 -5.885 -11.527 803 1HE2 GLN 100 2HE2 GLN 100 2.612 -5.370 -12.557 804 2HE2 GLN 100 1HE2 GLN 100 2.996 -3.860 -11.885 805 H GLU 101 H GLU 101 -1.150 -7.919 -12.087 806 HA GLU 101 HA GLU 101 0.452 -10.392 -12.247 807 1HB GLU 101 1HB GLU 101 -2.563 -10.275 -12.541 808 2HB GLU 101 2HB GLU 101 -1.594 -11.628 -13.127 809 1HG GLU 101 1HG GLU 101 -1.925 -12.471 -11.038 810 2HG GLU 101 2HG GLU 101 -0.631 -11.361 -10.583 811 H VAL 102 H VAL 102 1.029 -10.859 -14.419 812 HA VAL 102 HA VAL 102 0.128 -8.829 -16.439 813 HB VAL 102 HB VAL 102 2.504 -8.746 -15.659 814 1HG1 VAL 102 1HG1 VAL 102 2.711 -11.186 -15.209 815 2HG1 VAL 102 2HG1 VAL 102 2.663 -11.489 -16.945 816 3HG1 VAL 102 3HG1 VAL 102 4.008 -10.589 -16.244 817 1HG2 VAL 102 1HG2 VAL 102 1.828 -8.081 -17.985 818 2HG2 VAL 102 2HG2 VAL 102 3.490 -8.661 -17.883 819 3HG2 VAL 102 3HG2 VAL 102 2.227 -9.713 -18.523 820 H LYS 103 H LYS 103 -0.649 -9.616 -18.398 821 HA LYS 103 HA LYS 103 -0.505 -12.578 -18.849 822 1HB LYS 103 1HB LYS 103 -2.818 -10.636 -18.947 823 2HB LYS 103 2HB LYS 103 -2.885 -12.182 -19.794 824 1HG LYS 103 1HG LYS 103 -2.356 -13.337 -17.644 825 2HG LYS 103 2HG LYS 103 -2.432 -11.778 -16.823 826 1HD LYS 103 1HD LYS 103 -4.771 -11.500 -17.597 827 2HD LYS 103 2HD LYS 103 -4.693 -13.087 -18.362 828 1HE LYS 103 1HE LYS 103 -4.319 -14.162 -16.192 829 2HE LYS 103 2HE LYS 103 -4.285 -12.577 -15.392 830 1HZ LYS 103 1HZ LYS 103 -6.553 -13.527 -17.057 831 2HZ LYS 103 2HZ LYS 103 -6.505 -13.693 -15.366 832 3HZ LYS 103 3HZ LYS 103 -6.507 -12.148 -16.065 833 H GLY 104 H GLY 104 1.036 -12.479 -20.527 834 1HA GLY 104 1HA GLY 104 1.659 -12.293 -22.794 835 2HA GLY 104 2HA GLY 104 0.075 -11.587 -23.121 836 H ASN 105 H ASN 105 0.164 -9.502 -23.777 837 HA ASN 105 HA ASN 105 2.570 -7.882 -23.058 838 1HB ASN 105 1HB ASN 105 0.479 -7.802 -25.244 839 2HB ASN 105 2HB ASN 105 1.614 -6.476 -24.991 840 1HD2 ASN 105 2HD2 ASN 105 3.798 -6.778 -25.676 841 2HD2 ASN 105 1HD2 ASN 105 4.344 -8.194 -26.436 842 H GLU 106 H GLU 106 -0.355 -8.391 -21.744 843 HA GLU 106 HA GLU 106 -0.854 -5.489 -21.166 844 1HB GLU 106 1HB GLU 106 -2.647 -7.932 -21.251 845 2HB GLU 106 2HB GLU 106 -3.181 -6.365 -20.642 846 1HG GLU 106 1HG GLU 106 -2.676 -5.324 -22.802 847 2HG GLU 106 2HG GLU 106 -2.069 -6.861 -23.419 848 H MET 107 H MET 107 -1.513 -5.015 -18.925 849 HA MET 107 HA MET 107 -0.609 -7.086 -16.948 850 1HB MET 107 1HB MET 107 0.395 -4.436 -17.589 851 2HB MET 107 2HB MET 107 -0.103 -4.524 -15.899 852 1HG MET 107 1HG MET 107 1.196 -6.874 -16.077 853 2HG MET 107 2HG MET 107 2.081 -5.975 -17.309 854 1HE MET 107 1HE MET 107 3.890 -6.734 -15.882 855 2HE MET 107 2HE MET 107 4.614 -5.750 -14.612 856 3HE MET 107 3HE MET 107 3.412 -6.982 -14.204 857 H VAL 108 H VAL 108 -1.960 -7.307 -15.164 858 HA VAL 108 HA VAL 108 -4.230 -5.358 -14.916 859 HB VAL 108 HB VAL 108 -4.190 -8.376 -14.583 860 1HG1 VAL 108 1HG1 VAL 108 -6.341 -6.288 -14.192 861 2HG1 VAL 108 2HG1 VAL 108 -6.725 -7.983 -14.489 862 3HG1 VAL 108 3HG1 VAL 108 -5.807 -7.525 -13.055 863 1HG2 VAL 108 1HG2 VAL 108 -4.070 -7.617 -16.934 864 2HG2 VAL 108 2HG2 VAL 108 -5.637 -8.350 -16.586 865 3HG2 VAL 108 3HG2 VAL 108 -5.483 -6.595 -16.674 866 H GLU 109 H GLU 109 -4.286 -4.423 -12.911 867 HA GLU 109 HA GLU 109 -2.813 -5.775 -10.679 868 1HB GLU 109 1HB GLU 109 -3.391 -2.928 -11.477 869 2HB GLU 109 2HB GLU 109 -2.978 -3.308 -9.804 870 1HG GLU 109 1HG GLU 109 -0.845 -4.144 -10.398 871 2HG GLU 109 2HG GLU 109 -1.284 -4.290 -12.100 872 H THR 110 H THR 110 -4.017 -6.449 -8.937 873 HA THR 110 HA THR 110 -6.833 -5.434 -8.706 874 HB THR 110 HB THR 110 -7.174 -7.786 -7.699 875 HG1 THR 110 HG1 THR 110 -5.516 -9.059 -7.694 876 1HG2 THR 110 1HG2 THR 110 -6.881 -8.785 -10.156 877 2HG2 THR 110 2HG2 THR 110 -8.144 -7.613 -9.783 878 3HG2 THR 110 3HG2 THR 110 -6.648 -7.082 -10.552 879 H ILE 111 H ILE 111 -7.003 -4.195 -6.879 880 HA ILE 111 HA ILE 111 -5.481 -5.062 -4.443 881 HB ILE 111 HB ILE 111 -6.058 -2.236 -5.384 882 1HG1 ILE 111 1HG1 ILE 111 -3.477 -3.831 -5.504 883 2HG1 ILE 111 2HG1 ILE 111 -4.494 -3.448 -6.894 884 1HG2 ILE 111 1HG2 ILE 111 -5.713 -2.758 -2.887 885 2HG2 ILE 111 2HG2 ILE 111 -4.052 -3.162 -3.322 886 3HG2 ILE 111 3HG2 ILE 111 -4.664 -1.530 -3.595 887 1HD1 ILE 111 1HD1 ILE 111 -3.233 -1.381 -5.069 888 2HD1 ILE 111 2HD1 ILE 111 -2.583 -1.861 -6.637 889 3HD1 ILE 111 3HD1 ILE 111 -4.151 -1.060 -6.541 890 H THR 112 H THR 112 -6.697 -5.069 -2.549 891 HA THR 112 HA THR 112 -9.558 -4.205 -2.791 892 HB THR 112 HB THR 112 -9.909 -5.945 -1.032 893 HG1 THR 112 HG1 THR 112 -8.204 -6.513 0.020 894 1HG2 THR 112 1HG2 THR 112 -8.489 -7.657 -2.837 895 2HG2 THR 112 2HG2 THR 112 -10.223 -7.343 -2.760 896 3HG2 THR 112 3HG2 THR 112 -9.186 -6.324 -3.758 897 H PHE 113 H PHE 113 -10.228 -2.590 -1.419 898 HA PHE 113 HA PHE 113 -8.802 -2.128 1.140 899 1HB PHE 113 1HB PHE 113 -7.718 -0.907 -0.876 900 2HB PHE 113 2HB PHE 113 -9.153 0.117 -0.850 901 HD1 PHE 113 HD1 PHE 113 -9.831 0.925 1.636 902 HD2 PHE 113 HD2 PHE 113 -5.883 -0.182 0.357 903 HE1 PHE 113 HE1 PHE 113 -8.859 2.246 3.496 904 HE2 PHE 113 HE2 PHE 113 -4.910 1.138 2.218 905 HZ PHE 113 HZ PHE 113 -6.398 2.352 3.786 906 H GLY 114 H GLY 114 -10.356 -1.681 2.651 907 1HA GLY 114 1HA GLY 114 -12.366 -0.921 3.598 908 2HA GLY 114 2HA GLY 114 -12.502 0.180 2.226 909 H GLY 115 H GLY 115 -12.297 -3.348 2.019 910 1HA GLY 115 1HA GLY 115 -13.877 -4.926 1.281 911 2HA GLY 115 2HA GLY 115 -15.137 -3.763 1.694 912 H VAL 116 H VAL 116 -12.782 -2.412 -0.336 913 HA VAL 116 HA VAL 116 -14.590 -2.785 -2.701 914 HB VAL 116 HB VAL 116 -12.708 -0.534 -1.918 915 1HG1 VAL 116 1HG1 VAL 116 -14.548 -0.951 -4.283 916 2HG1 VAL 116 2HG1 VAL 116 -13.978 0.646 -3.798 917 3HG1 VAL 116 3HG1 VAL 116 -12.823 -0.587 -4.304 918 1HG2 VAL 116 1HG2 VAL 116 -14.857 -0.860 -0.575 919 2HG2 VAL 116 2HG2 VAL 116 -14.679 0.709 -1.361 920 3HG2 VAL 116 3HG2 VAL 116 -15.732 -0.516 -2.067 921 H THR 117 H THR 117 -13.663 -3.557 -4.592 922 HA THR 117 HA THR 117 -10.725 -4.151 -4.510 923 HB THR 117 HB THR 117 -12.971 -5.450 -6.085 924 HG1 THR 117 HG1 THR 117 -11.695 -6.139 -3.654 925 1HG2 THR 117 1HG2 THR 117 -11.063 -7.305 -6.000 926 2HG2 THR 117 2HG2 THR 117 -11.075 -6.062 -7.251 927 3HG2 THR 117 3HG2 THR 117 -10.027 -5.888 -5.844 928 H LEU 118 H LEU 118 -9.453 -3.295 -6.136 929 HA LEU 118 HA LEU 118 -10.855 -1.784 -8.317 930 1HB LEU 118 1HB LEU 118 -9.641 -0.366 -6.764 931 2HB LEU 118 2HB LEU 118 -8.207 -1.385 -6.891 932 HG LEU 118 HG LEU 118 -8.050 -0.827 -9.306 933 1HD1 LEU 118 1HD1 LEU 118 -10.503 0.784 -8.612 934 2HD1 LEU 118 2HD1 LEU 118 -9.469 1.244 -9.966 935 3HD1 LEU 118 3HD1 LEU 118 -10.263 -0.331 -9.958 936 1HD2 LEU 118 1HD2 LEU 118 -8.012 1.310 -7.192 937 2HD2 LEU 118 2HD2 LEU 118 -6.659 0.560 -8.039 938 3HD2 LEU 118 3HD2 LEU 118 -7.670 1.744 -8.868 939 H ILE 119 H ILE 119 -10.136 -2.119 -10.450 940 HA ILE 119 HA ILE 119 -8.025 -4.221 -10.825 941 HB ILE 119 HB ILE 119 -10.627 -3.749 -12.319 942 1HG1 ILE 119 1HG1 ILE 119 -9.762 -6.106 -10.617 943 2HG1 ILE 119 2HG1 ILE 119 -10.762 -4.785 -10.012 944 1HG2 ILE 119 1HG2 ILE 119 -8.259 -5.530 -12.801 945 2HG2 ILE 119 2HG2 ILE 119 -9.868 -6.106 -13.235 946 3HG2 ILE 119 3HG2 ILE 119 -9.234 -4.632 -13.965 947 1HD1 ILE 119 1HD1 ILE 119 -11.546 -6.251 -12.520 948 2HD1 ILE 119 2HD1 ILE 119 -11.943 -6.920 -10.939 949 3HD1 ILE 119 3HD1 ILE 119 -12.566 -5.338 -11.408 950 H ARG 120 H ARG 120 -6.377 -2.677 -11.333 951 HA ARG 120 HA ARG 120 -6.879 -0.670 -13.446 952 1HB ARG 120 1HB ARG 120 -5.518 -0.395 -11.278 953 2HB ARG 120 2HB ARG 120 -4.279 -1.372 -12.066 954 1HG ARG 120 1HG ARG 120 -3.887 0.238 -13.731 955 2HG ARG 120 2HG ARG 120 -5.441 1.030 -13.463 956 1HD ARG 120 1HD ARG 120 -3.699 2.436 -12.496 957 2HD ARG 120 2HD ARG 120 -4.595 1.690 -11.157 958 HE ARG 120 HE ARG 120 -2.761 -0.099 -11.189 959 1HH1 ARG 120 1HH1 ARG 120 -2.160 3.044 -10.642 960 2HH1 ARG 120 2HH1 ARG 120 -0.511 3.058 -11.173 961 1HH2 ARG 120 1HH2 ARG 120 -0.678 -0.078 -12.642 962 2HH2 ARG 120 2HH2 ARG 120 0.328 1.291 -12.305 963 H ARG 121 H ARG 121 -6.313 -0.989 -15.572 964 HA ARG 121 HA ARG 121 -4.794 -3.482 -16.246 965 1HB ARG 121 1HB ARG 121 -6.982 -1.862 -17.519 966 2HB ARG 121 2HB ARG 121 -5.948 -2.861 -18.542 967 1HG ARG 121 1HG ARG 121 -6.473 -4.826 -17.103 968 2HG ARG 121 2HG ARG 121 -7.574 -3.815 -16.167 969 1HD ARG 121 1HD ARG 121 -7.826 -4.263 -19.162 970 2HD ARG 121 2HD ARG 121 -8.764 -5.138 -17.936 971 HE ARG 121 HE ARG 121 -8.843 -2.228 -17.622 972 1HH1 ARG 121 1HH1 ARG 121 -10.839 -4.720 -17.291 973 2HH1 ARG 121 2HH1 ARG 121 -12.123 -4.147 -18.303 974 1HH2 ARG 121 1HH2 ARG 121 -10.234 -1.603 -19.712 975 2HH2 ARG 121 2HH2 ARG 121 -11.780 -2.383 -19.674 976 H SER 122 H SER 122 -2.726 -3.136 -16.946 977 HA SER 122 HA SER 122 -2.083 -0.487 -18.207 978 1HB SER 122 1HB SER 122 -0.496 -2.353 -16.423 979 2HB SER 122 2HB SER 122 0.218 -0.971 -17.249 980 HG SER 122 HG SER 122 -1.635 -1.071 -15.151 981 H LYS 123 H LYS 123 -0.586 -0.560 -19.995 982 HA LYS 123 HA LYS 123 -0.334 -3.270 -21.260 983 1HB LYS 123 1HB LYS 123 -1.786 -1.230 -22.168 984 2HB LYS 123 2HB LYS 123 -0.225 -0.698 -22.793 985 1HG LYS 123 1HG LYS 123 0.073 -2.842 -23.947 986 2HG LYS 123 2HG LYS 123 -1.455 -3.425 -23.286 987 1HD LYS 123 1HD LYS 123 -2.633 -1.558 -24.439 988 2HD LYS 123 2HD LYS 123 -1.100 -1.071 -25.164 989 1HE LYS 123 1HE LYS 123 -1.047 -2.888 -26.601 990 2HE LYS 123 2HE LYS 123 -1.955 -3.927 -25.486 991 1HZ LYS 123 1HZ LYS 123 -3.065 -1.571 -26.920 992 2HZ LYS 123 2HZ LYS 123 -3.336 -3.192 -27.352 993 3HZ LYS 123 3HZ LYS 123 -3.921 -2.595 -25.873 994 H ARG 124 H ARG 124 1.661 -3.653 -22.449 995 HA ARG 124 HA ARG 124 4.010 -2.414 -21.207 996 1HB ARG 124 1HB ARG 124 3.717 -4.850 -21.776 997 2HB ARG 124 2HB ARG 124 3.774 -4.408 -23.483 998 1HG ARG 124 1HG ARG 124 6.020 -3.559 -23.267 999 2HG ARG 124 2HG ARG 124 5.968 -3.723 -21.511 1000 1HD ARG 124 1HD ARG 124 7.108 -5.680 -22.089 1001 2HD ARG 124 2HD ARG 124 5.435 -6.270 -22.121 1002 HE ARG 124 HE ARG 124 5.476 -6.177 -24.523 1003 1HH1 ARG 124 1HH1 ARG 124 8.213 -7.335 -24.097 1004 2HH1 ARG 124 2HH1 ARG 124 9.197 -6.304 -25.081 1005 1HH2 ARG 124 1HH2 ARG 124 6.796 -3.817 -25.343 1006 2HH2 ARG 124 2HH2 ARG 124 8.395 -4.312 -25.786 1007 H VAL 125 HN VAL 125 5.290 -0.835 -22.135 1008 HA VAL 125 HA VAL 125 4.661 -0.030 -24.959 1009 HB VAL 125 HB VAL 125 5.438 1.650 -22.550 1010 1HG1 VAL 125 1HG1 VAL 125 6.234 2.471 -24.807 1011 2HG1 VAL 125 2HG1 VAL 125 4.543 2.548 -25.302 1012 3HG1 VAL 125 3HG1 VAL 125 5.123 3.565 -23.984 1013 1HG2 VAL 125 1HG2 VAL 125 2.825 1.116 -23.974 1014 2HG2 VAL 125 2HG2 VAL 125 3.178 0.975 -22.252 1015 3HG2 VAL 125 3HG2 VAL 125 3.069 2.568 -23.003 1016 1H1 JN3 130 1H1 JN3 130 -3.893 1.582 -7.183 1017 2H1 JN3 130 2H1 JN3 130 -3.345 2.905 -8.268 1018 1H2 JN3 130 1H2 JN3 130 -1.164 2.851 -7.253 1019 2H2 JN3 130 2H2 JN3 130 -1.628 1.237 -7.918 1020 H3 JN3 130 H3 JN3 130 -2.336 0.473 -5.578 1021 HO3 JN3 130 HO3 JN3 130 -0.295 -0.123 -5.404 1022 1H4 JN3 130 1H4 JN3 130 -1.404 3.237 -4.676 1023 2H4 JN3 130 2H4 JN3 130 -1.974 1.940 -3.610 1024 H5 JN3 130 H5 JN3 130 -4.277 2.016 -4.814 1025 1H6 JN3 130 1H6 JN3 130 -3.983 3.432 -2.758 1026 2H6 JN3 130 2H6 JN3 130 -5.092 4.138 -3.923 1027 H7 JN3 130 H7 JN3 130 -3.524 5.834 -2.979 1028 HO7 JN3 130 HO7 JN3 130 -1.716 3.835 -3.469 1029 H8 JN3 130 H8 JN3 130 -4.417 6.156 -5.254 1030 H9 JN3 130 H9 JN3 130 -1.760 4.683 -6.154 1031 1H11 JN3 130 1H11 JN3 130 -4.012 5.918 -7.873 1032 2H11 JN3 130 2H11 JN3 130 -2.661 4.985 -8.520 1033 1H12 JN3 130 1H12 JN3 130 -2.151 7.398 -8.736 1034 2H12 JN3 130 2H12 JN3 130 -1.055 6.706 -7.537 1035 H14 JN3 130 H14 JN3 130 -1.426 7.054 -5.064 1036 1H15 JN3 130 1H15 JN3 130 -2.444 8.216 -3.260 1037 2H15 JN3 130 2H15 JN3 130 -3.944 8.478 -4.144 1038 1H16 JN3 130 1H16 JN3 130 -1.416 9.985 -4.307 1039 2H16 JN3 130 2H16 JN3 130 -3.023 10.400 -5.007 1040 H17 JN3 130 H17 JN3 130 -0.675 8.939 -6.352 1041 1H18 JN3 130 1H18 JN3 130 -4.521 9.113 -6.205 1042 2H18 JN3 130 2H18 JN3 130 -4.308 8.818 -7.947 1043 3H18 JN3 130 3H18 JN3 130 -4.818 7.492 -6.877 1044 1H19 JN3 130 1H19 JN3 130 -5.586 4.496 -5.853 1045 2H19 JN3 130 2H19 JN3 130 -5.318 4.149 -7.578 1046 3H19 JN3 130 3H19 JN3 130 -5.786 2.839 -6.469 1047 H20 JN3 130 H20 JN3 130 -2.706 10.893 -7.440 1048 1H21 JN3 130 1H21 JN3 130 -1.487 11.041 -9.469 1049 2H21 JN3 130 2H21 JN3 130 -0.475 9.661 -8.982 1050 3H21 JN3 130 3H21 JN3 130 -2.219 9.433 -9.255 1051 1H22 JN3 130 1H22 JN3 130 0.197 11.435 -7.634 1052 2H22 JN3 130 2H22 JN3 130 -0.443 11.327 -5.958 1053 1H23 JN3 130 1H23 JN3 130 -2.238 13.065 -6.986 1054 2H23 JN3 130 2H23 JN3 130 -0.897 13.437 -8.039 1055 1H1 JN3 131 1H1 JN3 131 4.990 -4.774 -4.422 1056 2H1 JN3 131 2H1 JN3 131 3.390 -4.827 -3.608 1057 1H2 JN3 131 1H2 JN3 131 2.368 -3.785 -5.522 1058 2H2 JN3 131 2H2 JN3 131 3.229 -5.307 -5.973 1059 H3 JN3 131 H3 JN3 131 5.246 -3.937 -6.758 1060 HO3 JN3 131 HO3 JN3 131 3.984 -2.496 -8.423 1061 1H4 JN3 131 1H4 JN3 131 3.558 -1.507 -6.002 1062 2H4 JN3 131 2H4 JN3 131 5.152 -1.456 -6.778 1063 H5 JN3 131 H5 JN3 131 6.158 -2.651 -4.700 1064 1H6 JN3 131 1H6 JN3 131 6.181 -0.136 -4.729 1065 2H6 JN3 131 2H6 JN3 131 6.033 -0.799 -3.110 1066 H7 JN3 131 H7 JN3 131 4.484 1.120 -3.479 1067 HO7 JN3 131 HO7 JN3 131 3.801 1.128 -5.548 1068 H8 JN3 131 H8 JN3 131 3.857 -0.636 -1.868 1069 H9 JN3 131 H9 JN3 131 2.341 -1.910 -4.341 1070 1H11 JN3 131 1H11 JN3 131 2.452 -2.846 -1.398 1071 2H11 JN3 131 2H11 JN3 131 1.688 -3.753 -2.704 1072 1H12 JN3 131 1H12 JN3 131 -0.048 -2.479 -1.485 1073 2H12 JN3 131 2H12 JN3 131 0.117 -1.782 -3.099 1074 H14 JN3 131 H14 JN3 131 1.373 0.378 -3.474 1075 1H15 JN3 131 1H15 JN3 131 2.331 2.391 -2.658 1076 2H15 JN3 131 2H15 JN3 131 2.827 1.655 -1.137 1077 1H16 JN3 131 1H16 JN3 131 0.176 2.680 -1.915 1078 2H16 JN3 131 2H16 JN3 131 0.754 2.170 -0.287 1079 H17 JN3 131 H17 JN3 131 -0.765 0.507 -2.382 1080 1H18 JN3 131 1H18 JN3 131 1.917 0.286 0.375 1081 2H18 JN3 131 2H18 JN3 131 1.093 -1.268 0.642 1082 3H18 JN3 131 3H18 JN3 131 2.662 -1.226 -0.196 1083 1H19 JN3 131 1H19 JN3 131 5.271 -2.211 -1.875 1084 2H19 JN3 131 2H19 JN3 131 4.445 -3.776 -1.685 1085 3H19 JN3 131 3H19 JN3 131 5.995 -3.688 -2.555 1086 H20 JN3 131 H20 JN3 131 -0.854 0.076 0.599 1087 1H21 JN3 131 1H21 JN3 131 -3.090 -0.657 0.298 1088 2H21 JN3 131 2H21 JN3 131 -2.939 -0.452 -1.463 1089 3H21 JN3 131 3H21 JN3 131 -1.939 -1.658 -0.620 1090 1H22 JN3 131 1H22 JN3 131 -3.098 1.543 0.134 1091 2H22 JN3 131 2H22 JN3 131 -1.954 2.316 -1.017 1092 1H23 JN3 131 1H23 JN3 131 -1.312 3.621 0.727 1093 2H23 JN3 131 2H23 JN3 131 -0.537 2.211 1.406 Start of MODEL 2 1 1H ALA 1 1H ALA 1 5.237 -12.471 -16.324 2 2H ALA 1 2H ALA 1 5.831 -13.020 -17.818 3 3H ALA 1 3H ALA 1 4.859 -11.629 -17.746 4 HA ALA 1 HA ALA 1 7.527 -11.834 -16.448 5 1HB ALA 1 1HB ALA 1 6.617 -10.790 -19.148 6 2HB ALA 1 2HB ALA 1 8.213 -10.481 -18.463 7 3HB ALA 1 3HB ALA 1 7.725 -12.130 -18.853 8 H PHE 2 H PHE 2 7.136 -10.464 -14.703 9 HA PHE 2 HA PHE 2 5.363 -8.153 -14.885 10 1HB PHE 2 1HB PHE 2 7.364 -9.190 -12.857 11 2HB PHE 2 2HB PHE 2 6.354 -7.772 -12.572 12 HD1 PHE 2 HD1 PHE 2 6.388 -11.430 -12.997 13 HD2 PHE 2 HD2 PHE 2 3.933 -7.975 -12.297 14 HE1 PHE 2 HE1 PHE 2 4.509 -12.901 -12.325 15 HE2 PHE 2 HE2 PHE 2 2.054 -9.446 -11.625 16 HZ PHE 2 HZ PHE 2 2.341 -11.910 -11.639 17 H SER 3 H SER 3 8.854 -8.714 -15.087 18 HA SER 3 HA SER 3 9.810 -6.063 -14.814 19 1HB SER 3 1HB SER 3 11.738 -6.941 -16.063 20 2HB SER 3 2HB SER 3 11.147 -8.161 -14.938 21 HG SER 3 HG SER 3 11.246 -9.269 -16.777 22 H GLY 4 H GLY 4 10.083 -4.366 -16.322 23 1HA GLY 4 1HA GLY 4 10.089 -3.818 -18.821 24 2HA GLY 4 2HA GLY 4 8.551 -4.680 -18.872 25 H THR 5 H THR 5 8.048 -2.359 -19.773 26 HA THR 5 HA THR 5 7.416 -0.498 -17.515 27 HB THR 5 HB THR 5 7.559 -0.079 -20.520 28 HG1 THR 5 HG1 THR 5 9.559 0.659 -20.155 29 1HG2 THR 5 1HG2 THR 5 7.637 2.078 -18.430 30 2HG2 THR 5 2HG2 THR 5 7.191 2.196 -20.132 31 3HG2 THR 5 3HG2 THR 5 6.087 1.443 -18.983 32 H TRP 6 H TRP 6 5.280 -0.212 -16.978 33 HA TRP 6 HA TRP 6 3.208 -1.258 -18.884 34 1HB TRP 6 1HB TRP 6 3.258 -1.165 -15.849 35 2HB TRP 6 2HB TRP 6 1.945 -1.825 -16.825 36 HD1 TRP 6 HD1 TRP 6 5.250 -2.702 -15.337 37 HE1 TRP 6 HE1 TRP 6 5.932 -5.086 -16.041 38 HE3 TRP 6 HE3 TRP 6 1.767 -3.581 -18.967 39 HZ2 TRP 6 HZ2 TRP 6 5.110 -7.100 -17.899 40 HZ3 TRP 6 HZ3 TRP 6 1.739 -5.737 -20.186 41 HH2 TRP 6 HH2 TRP 6 3.405 -7.497 -19.657 42 H GLN 7 H GLN 7 1.374 0.059 -19.204 43 HA GLN 7 HA GLN 7 1.412 2.737 -17.848 44 1HB GLN 7 1HB GLN 7 2.229 2.747 -20.202 45 2HB GLN 7 2HB GLN 7 0.694 2.043 -20.716 46 1HG GLN 7 1HG GLN 7 -0.506 4.005 -19.802 47 2HG GLN 7 2HG GLN 7 1.036 4.716 -19.324 48 1HE2 GLN 7 2HE2 GLN 7 -1.014 3.944 -22.104 49 2HE2 GLN 7 1HE2 GLN 7 -0.115 4.828 -23.238 50 H VAL 8 H VAL 8 -0.446 3.018 -16.685 51 HA VAL 8 HA VAL 8 -2.698 1.236 -16.821 52 HB VAL 8 HB VAL 8 -2.427 4.044 -15.697 53 1HG1 VAL 8 1HG1 VAL 8 -4.753 2.848 -15.961 54 2HG1 VAL 8 2HG1 VAL 8 -4.193 1.872 -14.601 55 3HG1 VAL 8 3HG1 VAL 8 -4.345 3.621 -14.428 56 1HG2 VAL 8 1HG2 VAL 8 -1.802 1.307 -14.550 57 2HG2 VAL 8 2HG2 VAL 8 -0.678 2.645 -14.793 58 3HG2 VAL 8 3HG2 VAL 8 -1.939 2.765 -13.566 59 H TYR 9 H TYR 9 -4.354 1.255 -18.288 60 HA TYR 9 HA TYR 9 -4.932 3.819 -19.740 61 1HB TYR 9 1HB TYR 9 -5.266 2.463 -21.736 62 2HB TYR 9 2HB TYR 9 -3.693 2.060 -21.046 63 HD1 TYR 9 HD1 TYR 9 -3.449 -0.008 -19.629 64 HD2 TYR 9 HD2 TYR 9 -7.011 0.839 -21.878 65 HE1 TYR 9 HE1 TYR 9 -4.145 -2.379 -19.421 66 HE2 TYR 9 HE2 TYR 9 -7.707 -1.532 -21.669 67 HH TYR 9 HH TYR 9 -5.955 -3.920 -21.134 68 H ALA 10 H ALA 10 -6.178 0.863 -18.276 69 HA ALA 10 HA ALA 10 -8.934 2.037 -18.419 70 1HB ALA 10 1HB ALA 10 -8.002 -0.816 -18.862 71 2HB ALA 10 2HB ALA 10 -9.696 -0.343 -18.732 72 3HB ALA 10 3HB ALA 10 -8.713 0.260 -20.066 73 H GLN 11 H GLN 11 -9.864 2.176 -16.410 74 HA GLN 11 HA GLN 11 -9.011 0.267 -14.281 75 1HB GLN 11 1HB GLN 11 -8.688 2.208 -12.760 76 2HB GLN 11 2HB GLN 11 -7.593 2.278 -14.142 77 1HG GLN 11 1HG GLN 11 -9.322 3.749 -15.289 78 2HG GLN 11 2HG GLN 11 -10.153 3.840 -13.737 79 1HE2 GLN 11 2HE2 GLN 11 -9.686 6.106 -13.386 80 2HE2 GLN 11 1HE2 GLN 11 -8.112 6.666 -13.091 81 H GLU 12 H GLU 12 -10.894 -0.590 -13.499 82 HA GLU 12 HA GLU 12 -13.412 0.989 -13.710 83 1HB GLU 12 1HB GLU 12 -13.202 -1.337 -14.613 84 2HB GLU 12 2HB GLU 12 -12.895 -1.911 -12.973 85 1HG GLU 12 1HG GLU 12 -15.084 -1.099 -12.245 86 2HG GLU 12 2HG GLU 12 -15.392 -0.429 -13.847 87 H ASN 13 H ASN 13 -14.630 1.511 -11.860 88 HA ASN 13 HA ASN 13 -15.036 1.943 -9.572 89 1HB ASN 13 1HB ASN 13 -14.524 -0.719 -9.898 90 2HB ASN 13 2HB ASN 13 -13.274 -0.286 -8.732 91 1HD2 ASN 13 2HD2 ASN 13 -13.935 0.240 -6.579 92 2HD2 ASN 13 1HD2 ASN 13 -15.549 0.157 -6.063 93 H TYR 14 H TYR 14 -12.294 2.610 -11.047 94 HA TYR 14 HA TYR 14 -10.171 2.744 -9.219 95 1HB TYR 14 1HB TYR 14 -10.049 3.369 -11.585 96 2HB TYR 14 2HB TYR 14 -11.115 4.745 -11.298 97 HD1 TYR 14 HD1 TYR 14 -7.904 3.274 -10.026 98 HD2 TYR 14 HD2 TYR 14 -10.161 6.830 -10.871 99 HE1 TYR 14 HE1 TYR 14 -5.946 4.664 -9.406 100 HE2 TYR 14 HE2 TYR 14 -8.202 8.220 -10.250 101 HH TYR 14 HH TYR 14 -5.585 7.796 -10.222 102 H GLU 15 H GLU 15 -12.699 5.239 -9.739 103 HA GLU 15 HA GLU 15 -11.866 6.974 -7.625 104 1HB GLU 15 1HB GLU 15 -14.471 6.445 -9.071 105 2HB GLU 15 2HB GLU 15 -14.313 7.732 -7.874 106 1HG GLU 15 1HG GLU 15 -12.410 8.671 -9.175 107 2HG GLU 15 2HG GLU 15 -12.662 7.426 -10.400 108 H GLU 16 H GLU 16 -14.413 4.451 -7.690 109 HA GLU 16 HA GLU 16 -15.323 4.701 -5.027 110 1HB GLU 16 1HB GLU 16 -15.071 2.432 -7.002 111 2HB GLU 16 2HB GLU 16 -15.794 2.172 -5.415 112 1HG GLU 16 1HG GLU 16 -17.312 4.162 -5.930 113 2HG GLU 16 2HG GLU 16 -16.734 4.048 -7.592 114 H PHE 17 H PHE 17 -12.932 2.302 -6.220 115 HA PHE 17 HA PHE 17 -12.095 1.238 -3.776 116 1HB PHE 17 1HB PHE 17 -11.351 0.372 -5.899 117 2HB PHE 17 2HB PHE 17 -10.589 1.906 -6.320 118 HD1 PHE 17 HD1 PHE 17 -10.463 -0.892 -3.849 119 HD2 PHE 17 HD2 PHE 17 -8.352 2.353 -5.708 120 HE1 PHE 17 HE1 PHE 17 -8.362 -1.637 -2.761 121 HE2 PHE 17 HE2 PHE 17 -6.251 1.610 -4.621 122 HZ PHE 17 HZ PHE 17 -6.256 -0.385 -3.148 123 H LEU 18 H LEU 18 -10.541 4.002 -5.464 124 HA LEU 18 HA LEU 18 -8.717 4.696 -3.406 125 1HB LEU 18 1HB LEU 18 -10.114 6.162 -5.642 126 2HB LEU 18 2HB LEU 18 -8.987 7.008 -4.581 127 HG LEU 18 HG LEU 18 -8.147 4.401 -5.799 128 1HD1 LEU 18 1HD1 LEU 18 -8.706 6.925 -7.243 129 2HD1 LEU 18 2HD1 LEU 18 -7.124 6.214 -7.558 130 3HD1 LEU 18 3HD1 LEU 18 -8.587 5.277 -7.860 131 1HD2 LEU 18 1HD2 LEU 18 -6.926 6.824 -4.574 132 2HD2 LEU 18 2HD2 LEU 18 -6.440 5.133 -4.446 133 3HD2 LEU 18 3HD2 LEU 18 -6.020 6.066 -5.883 134 H LYS 19 H LYS 19 -12.065 5.803 -3.975 135 HA LYS 19 HA LYS 19 -12.323 7.798 -2.039 136 1HB LYS 19 1HB LYS 19 -14.058 7.114 -3.636 137 2HB LYS 19 2HB LYS 19 -14.240 5.570 -2.801 138 1HG LYS 19 1HG LYS 19 -14.529 7.407 -0.753 139 2HG LYS 19 2HG LYS 19 -15.332 8.203 -2.107 140 1HD LYS 19 1HD LYS 19 -16.328 5.726 -2.431 141 2HD LYS 19 2HD LYS 19 -16.056 5.688 -0.688 142 1HE LYS 19 1HE LYS 19 -17.363 8.135 -1.800 143 2HE LYS 19 2HE LYS 19 -18.338 6.655 -1.711 144 1HZ LYS 19 1HZ LYS 19 -17.457 6.396 0.606 145 2HZ LYS 19 2HZ LYS 19 -16.846 7.974 0.489 146 3HZ LYS 19 3HZ LYS 19 -18.520 7.704 0.391 147 H ALA 20 H ALA 20 -12.496 4.266 -1.558 148 HA ALA 20 HA ALA 20 -13.139 4.376 1.251 149 1HB ALA 20 1HB ALA 20 -13.128 2.490 -0.669 150 2HB ALA 20 2HB ALA 20 -11.576 2.119 0.081 151 3HB ALA 20 3HB ALA 20 -13.052 2.077 1.044 152 H LEU 21 H LEU 21 -10.129 4.558 -0.560 153 HA LEU 21 HA LEU 21 -8.258 3.886 1.469 154 1HB LEU 21 1HB LEU 21 -8.285 4.824 -1.156 155 2HB LEU 21 2HB LEU 21 -7.484 6.116 -0.261 156 HG LEU 21 HG LEU 21 -6.052 4.290 0.815 157 1HD1 LEU 21 1HD1 LEU 21 -7.653 2.459 0.054 158 2HD1 LEU 21 2HD1 LEU 21 -7.000 2.683 -1.569 159 3HD1 LEU 21 3HD1 LEU 21 -5.945 2.150 -0.260 160 1HD2 LEU 21 1HD2 LEU 21 -5.881 4.755 -2.180 161 2HD2 LEU 21 2HD2 LEU 21 -5.181 5.781 -0.928 162 3HD2 LEU 21 3HD2 LEU 21 -4.564 4.148 -1.177 163 H ALA 22 H ALA 22 -10.319 6.665 1.133 164 HA ALA 22 HA ALA 22 -10.711 8.361 2.771 165 1HB ALA 22 1HB ALA 22 -9.485 6.425 4.162 166 2HB ALA 22 2HB ALA 22 -8.185 7.617 4.186 167 3HB ALA 22 3HB ALA 22 -9.764 8.023 4.857 168 H LEU 23 H LEU 23 -8.915 8.490 0.334 169 HA LEU 23 HA LEU 23 -6.691 10.249 0.985 170 1HB LEU 23 1HB LEU 23 -8.174 9.434 -1.524 171 2HB LEU 23 2HB LEU 23 -6.810 10.550 -1.567 172 HG LEU 23 HG LEU 23 -6.656 7.825 -0.262 173 1HD1 LEU 23 1HD1 LEU 23 -6.392 8.659 -3.112 174 2HD1 LEU 23 2HD1 LEU 23 -5.195 7.522 -2.495 175 3HD1 LEU 23 3HD1 LEU 23 -6.909 7.115 -2.436 176 1HD2 LEU 23 1HD2 LEU 23 -4.710 10.006 -1.001 177 2HD2 LEU 23 2HD2 LEU 23 -4.895 9.169 0.539 178 3HD2 LEU 23 3HD2 LEU 23 -4.162 8.339 -0.833 179 HA PRO 24 HA PRO 24 -8.725 14.136 1.001 180 1HB PRO 24 1HB PRO 24 -6.972 15.726 -0.372 181 2HB PRO 24 2HB PRO 24 -6.648 15.122 1.265 182 1HG PRO 24 1HG PRO 24 -5.626 14.141 -1.351 183 2HG PRO 24 2HG PRO 24 -4.801 14.264 0.211 184 1HD PRO 24 1HD PRO 24 -5.793 11.926 -0.805 185 2HD PRO 24 2HD PRO 24 -5.590 12.243 0.931 186 H GLU 25 H GLU 25 -10.273 15.204 -0.246 187 HA GLU 25 HA GLU 25 -11.071 14.200 -2.779 188 1HB GLU 25 1HB GLU 25 -11.556 16.803 -1.304 189 2HB GLU 25 2HB GLU 25 -12.421 16.366 -2.778 190 1HG GLU 25 1HG GLU 25 -13.184 14.268 -1.677 191 2HG GLU 25 2HG GLU 25 -12.386 14.785 -0.191 192 H ASP 26 H ASP 26 -9.091 17.050 -1.945 193 HA ASP 26 HA ASP 26 -8.840 18.201 -4.518 194 1HB ASP 26 1HB ASP 26 -8.065 18.972 -2.175 195 2HB ASP 26 2HB ASP 26 -6.620 18.005 -2.476 196 H LEU 27 H LEU 27 -7.347 15.328 -3.160 197 HA LEU 27 HA LEU 27 -5.404 15.119 -5.390 198 1HB LEU 27 1HB LEU 27 -4.721 14.589 -3.101 199 2HB LEU 27 2HB LEU 27 -6.029 13.414 -2.956 200 HG LEU 27 HG LEU 27 -5.010 12.184 -4.921 201 1HD1 LEU 27 1HD1 LEU 27 -3.085 14.432 -4.593 202 2HD1 LEU 27 2HD1 LEU 27 -2.400 12.845 -4.941 203 3HD1 LEU 27 3HD1 LEU 27 -3.564 13.567 -6.052 204 1HD2 LEU 27 1HD2 LEU 27 -3.944 12.442 -2.184 205 2HD2 LEU 27 2HD2 LEU 27 -4.399 10.993 -3.082 206 3HD2 LEU 27 3HD2 LEU 27 -2.812 11.721 -3.330 207 H ILE 28 H ILE 28 -8.557 13.968 -4.508 208 HA ILE 28 HA ILE 28 -8.481 11.588 -6.226 209 HB ILE 28 HB ILE 28 -10.659 13.084 -4.734 210 1HG1 ILE 28 1HG1 ILE 28 -9.305 10.432 -4.149 211 2HG1 ILE 28 2HG1 ILE 28 -8.851 11.959 -3.393 212 1HG2 ILE 28 1HG2 ILE 28 -10.723 10.717 -6.550 213 2HG2 ILE 28 2HG2 ILE 28 -11.701 10.638 -5.084 214 3HG2 ILE 28 3HG2 ILE 28 -11.962 11.936 -6.250 215 1HD1 ILE 28 1HD1 ILE 28 -11.726 11.111 -3.329 216 2HD1 ILE 28 2HD1 ILE 28 -10.590 10.362 -2.208 217 3HD1 ILE 28 3HD1 ILE 28 -10.832 12.109 -2.183 218 H LYS 29 H LYS 29 -9.891 14.864 -6.363 219 HA LYS 29 HA LYS 29 -11.167 14.449 -8.946 220 1HB LYS 29 1HB LYS 29 -11.564 16.880 -8.744 221 2HB LYS 29 2HB LYS 29 -11.913 16.065 -7.219 222 1HG LYS 29 1HG LYS 29 -9.613 16.646 -6.432 223 2HG LYS 29 2HG LYS 29 -9.373 17.565 -7.919 224 1HD LYS 29 1HD LYS 29 -11.684 18.087 -6.038 225 2HD LYS 29 2HD LYS 29 -10.136 18.922 -5.898 226 1HE LYS 29 1HE LYS 29 -10.554 19.332 -8.519 227 2HE LYS 29 2HE LYS 29 -12.244 19.196 -7.993 228 1HZ LYS 29 1HZ LYS 29 -11.722 20.757 -6.180 229 2HZ LYS 29 2HZ LYS 29 -10.161 20.963 -6.818 230 3HZ LYS 29 3HZ LYS 29 -11.519 21.460 -7.710 231 H MET 30 H MET 30 -8.009 15.545 -7.854 232 HA MET 30 HA MET 30 -7.261 16.615 -10.497 233 1HB MET 30 1HB MET 30 -6.535 17.561 -8.288 234 2HB MET 30 2HB MET 30 -5.623 16.079 -7.999 235 1HG MET 30 1HG MET 30 -4.075 17.682 -8.905 236 2HG MET 30 2HG MET 30 -4.414 16.516 -10.184 237 1HE MET 30 1HE MET 30 -5.516 19.405 -8.369 238 2HE MET 30 2HE MET 30 -5.198 20.734 -9.492 239 3HE MET 30 3HE MET 30 -6.827 20.081 -9.332 240 H ALA 31 H ALA 31 -6.885 13.649 -8.645 241 HA ALA 31 HA ALA 31 -4.991 12.565 -10.686 242 1HB ALA 31 1HB ALA 31 -5.766 11.940 -7.849 243 2HB ALA 31 2HB ALA 31 -5.018 10.684 -8.835 244 3HB ALA 31 3HB ALA 31 -4.159 12.194 -8.529 245 H ARG 32 H ARG 32 -8.243 12.791 -10.341 246 HA ARG 32 HA ARG 32 -9.122 10.054 -10.696 247 1HB ARG 32 1HB ARG 32 -11.219 11.051 -10.781 248 2HB ARG 32 2HB ARG 32 -10.304 12.340 -9.998 249 1HG ARG 32 1HG ARG 32 -10.020 13.512 -12.081 250 2HG ARG 32 2HG ARG 32 -10.673 12.154 -12.998 251 1HD ARG 32 1HD ARG 32 -12.873 12.463 -11.928 252 2HD ARG 32 2HD ARG 32 -12.224 13.814 -10.976 253 HE ARG 32 HE ARG 32 -12.128 13.871 -13.966 254 1HH1 ARG 32 1HH1 ARG 32 -13.960 14.884 -11.336 255 2HH1 ARG 32 2HH1 ARG 32 -13.973 16.561 -11.768 256 1HH2 ARG 32 1HH2 ARG 32 -11.689 16.186 -14.351 257 2HH2 ARG 32 2HH2 ARG 32 -12.687 17.298 -13.475 258 H ASP 33 H ASP 33 -7.251 11.909 -12.691 259 HA ASP 33 HA ASP 33 -8.030 10.320 -15.070 260 1HB ASP 33 1HB ASP 33 -8.266 13.307 -14.736 261 2HB ASP 33 2HB ASP 33 -7.990 12.613 -16.334 262 H ILE 34 H ILE 34 -5.686 10.047 -13.585 263 HA ILE 34 HA ILE 34 -3.634 11.347 -15.350 264 HB ILE 34 HB ILE 34 -3.884 10.938 -12.402 265 1HG1 ILE 34 1HG1 ILE 34 -2.535 13.038 -14.132 266 2HG1 ILE 34 2HG1 ILE 34 -4.170 13.156 -13.479 267 1HG2 ILE 34 1HG2 ILE 34 -1.449 10.361 -13.997 268 2HG2 ILE 34 2HG2 ILE 34 -1.218 11.408 -12.596 269 3HG2 ILE 34 3HG2 ILE 34 -1.902 9.795 -12.389 270 1HD1 ILE 34 1HD1 ILE 34 -2.992 12.715 -11.177 271 2HD1 ILE 34 2HD1 ILE 34 -1.544 13.259 -12.023 272 3HD1 ILE 34 3HD1 ILE 34 -2.937 14.331 -11.880 273 H LYS 35 H LYS 35 -2.713 9.802 -16.639 274 HA LYS 35 HA LYS 35 -2.811 6.952 -15.859 275 1HB LYS 35 1HB LYS 35 -2.101 8.575 -18.297 276 2HB LYS 35 2HB LYS 35 -1.672 6.866 -18.217 277 1HG LYS 35 1HG LYS 35 -3.767 6.508 -19.015 278 2HG LYS 35 2HG LYS 35 -4.281 6.827 -17.358 279 1HD LYS 35 1HD LYS 35 -4.157 9.355 -18.173 280 2HD LYS 35 2HD LYS 35 -4.400 8.611 -19.755 281 1HE LYS 35 1HE LYS 35 -6.321 7.288 -18.484 282 2HE LYS 35 2HE LYS 35 -6.255 8.693 -17.401 283 1HZ LYS 35 1HZ LYS 35 -6.359 10.131 -19.370 284 2HZ LYS 35 2HZ LYS 35 -6.543 8.762 -20.359 285 3HZ LYS 35 3HZ LYS 35 -7.744 9.158 -19.228 286 HA PRO 36 HA PRO 36 1.399 8.022 -14.339 287 1HB PRO 36 1HB PRO 36 1.290 6.375 -12.156 288 2HB PRO 36 2HB PRO 36 0.662 8.036 -12.146 289 1HG PRO 36 1HG PRO 36 -0.803 5.460 -12.410 290 2HG PRO 36 2HG PRO 36 -1.261 6.938 -11.549 291 1HD PRO 36 1HD PRO 36 -2.264 6.231 -13.992 292 2HD PRO 36 2HD PRO 36 -2.144 7.909 -13.419 293 H ILE 37 H ILE 37 3.115 6.864 -15.156 294 HA ILE 37 HA ILE 37 2.676 4.141 -16.180 295 HB ILE 37 HB ILE 37 5.097 5.974 -16.133 296 1HG1 ILE 37 1HG1 ILE 37 3.513 5.497 -18.603 297 2HG1 ILE 37 2HG1 ILE 37 2.743 6.493 -17.368 298 1HG2 ILE 37 1HG2 ILE 37 5.440 3.457 -16.531 299 2HG2 ILE 37 2HG2 ILE 37 4.535 3.687 -18.028 300 3HG2 ILE 37 3HG2 ILE 37 6.056 4.544 -17.775 301 1HD1 ILE 37 1HD1 ILE 37 5.582 7.002 -18.257 302 2HD1 ILE 37 2HD1 ILE 37 4.208 7.708 -19.108 303 3HD1 ILE 37 3HD1 ILE 37 4.487 8.095 -17.410 304 H VAL 38 H VAL 38 4.093 2.338 -15.570 305 HA VAL 38 HA VAL 38 5.434 2.635 -12.910 306 HB VAL 38 HB VAL 38 3.402 0.566 -13.803 307 1HG1 VAL 38 1HG1 VAL 38 5.284 -0.420 -12.483 308 2HG1 VAL 38 2HG1 VAL 38 4.937 0.728 -11.190 309 3HG1 VAL 38 3HG1 VAL 38 3.741 -0.492 -11.632 310 1HG2 VAL 38 1HG2 VAL 38 3.397 2.938 -11.986 311 2HG2 VAL 38 2HG2 VAL 38 2.110 2.312 -13.017 312 3HG2 VAL 38 3HG2 VAL 38 2.469 1.527 -11.480 313 H GLU 39 H GLU 39 7.537 2.047 -13.293 314 HA GLU 39 HA GLU 39 8.145 0.069 -15.429 315 1HB GLU 39 1HB GLU 39 9.234 2.429 -14.890 316 2HB GLU 39 2HB GLU 39 10.181 1.486 -13.740 317 1HG GLU 39 1HG GLU 39 10.908 -0.019 -15.537 318 2HG GLU 39 2HG GLU 39 9.922 0.869 -16.699 319 H ILE 40 H ILE 40 8.937 -1.974 -14.951 320 HA ILE 40 HA ILE 40 9.435 -2.611 -12.060 321 HB ILE 40 HB ILE 40 8.172 -4.301 -14.243 322 1HG1 ILE 40 1HG1 ILE 40 6.900 -3.049 -11.791 323 2HG1 ILE 40 2HG1 ILE 40 6.799 -2.355 -13.410 324 1HG2 ILE 40 1HG2 ILE 40 9.446 -5.548 -12.471 325 2HG2 ILE 40 2HG2 ILE 40 8.392 -4.814 -11.263 326 3HG2 ILE 40 3HG2 ILE 40 7.718 -5.902 -12.477 327 1HD1 ILE 40 1HD1 ILE 40 5.927 -4.704 -14.114 328 2HD1 ILE 40 2HD1 ILE 40 5.628 -4.936 -12.392 329 3HD1 ILE 40 3HD1 ILE 40 4.827 -3.626 -13.258 330 H GLN 41 H GLN 41 11.441 -3.482 -11.686 331 HA GLN 41 HA GLN 41 12.892 -4.735 -13.994 332 1HB GLN 41 1HB GLN 41 13.681 -2.447 -13.564 333 2HB GLN 41 2HB GLN 41 13.919 -2.834 -11.859 334 1HG GLN 41 1HG GLN 41 15.600 -4.522 -12.457 335 2HG GLN 41 2HG GLN 41 15.348 -4.184 -14.169 336 1HE2 GLN 41 2HE2 GLN 41 17.260 -3.121 -14.789 337 2HE2 GLN 41 1HE2 GLN 41 17.891 -1.754 -14.005 338 H GLN 42 H GLN 42 11.763 -6.621 -12.658 339 HA GLN 42 HA GLN 42 12.742 -7.379 -10.084 340 1HB GLN 42 1HB GLN 42 10.745 -8.259 -11.342 341 2HB GLN 42 2HB GLN 42 11.855 -9.139 -12.391 342 1HG GLN 42 1HG GLN 42 12.783 -10.296 -10.391 343 2HG GLN 42 2HG GLN 42 11.589 -9.472 -9.390 344 1HE2 GLN 42 2HE2 GLN 42 9.452 -9.646 -11.463 345 2HE2 GLN 42 1HE2 GLN 42 8.964 -11.271 -11.492 346 H LYS 43 H LYS 43 14.130 -9.443 -9.795 347 HA LYS 43 HA LYS 43 16.086 -10.128 -11.827 348 1HB LYS 43 1HB LYS 43 16.594 -7.968 -9.822 349 2HB LYS 43 2HB LYS 43 17.929 -9.053 -10.207 350 1HG LYS 43 1HG LYS 43 17.236 -8.581 -12.696 351 2HG LYS 43 2HG LYS 43 16.460 -7.152 -12.011 352 1HD LYS 43 1HD LYS 43 19.282 -7.769 -11.215 353 2HD LYS 43 2HD LYS 43 18.987 -7.057 -12.802 354 1HE LYS 43 1HE LYS 43 17.468 -5.374 -11.434 355 2HE LYS 43 2HE LYS 43 18.505 -5.877 -10.083 356 1HZ LYS 43 1HZ LYS 43 19.468 -4.936 -12.735 357 2HZ LYS 43 2HZ LYS 43 19.483 -4.017 -11.310 358 3HZ LYS 43 3HZ LYS 43 20.448 -5.410 -11.431 359 H GLY 44 H GLY 44 14.360 -11.541 -9.963 360 1HA GLY 44 1HA GLY 44 15.234 -13.772 -9.119 361 2HA GLY 44 2HA GLY 44 16.408 -12.828 -8.200 362 H ASP 45 H ASP 45 15.813 -12.086 -6.195 363 HA ASP 45 HA ASP 45 12.993 -12.628 -5.343 364 1HB ASP 45 1HB ASP 45 13.999 -12.816 -3.104 365 2HB ASP 45 2HB ASP 45 14.860 -13.854 -4.241 366 H ASP 46 H ASP 46 14.895 -10.092 -6.325 367 HA ASP 46 HA ASP 46 13.694 -8.162 -4.376 368 1HB ASP 46 1HB ASP 46 16.171 -8.266 -4.629 369 2HB ASP 46 2HB ASP 46 15.991 -7.876 -6.340 370 H PHE 47 H PHE 47 12.443 -6.432 -5.178 371 HA PHE 47 HA PHE 47 11.867 -6.465 -8.124 372 1HB PHE 47 1HB PHE 47 10.128 -6.548 -5.691 373 2HB PHE 47 2HB PHE 47 9.528 -5.673 -7.100 374 HD1 PHE 47 HD1 PHE 47 11.329 -8.892 -6.374 375 HD2 PHE 47 HD2 PHE 47 8.246 -6.897 -8.600 376 HE1 PHE 47 HE1 PHE 47 10.714 -11.041 -7.449 377 HE2 PHE 47 HE2 PHE 47 7.631 -9.045 -9.675 378 HZ PHE 47 HZ PHE 47 8.866 -11.118 -9.099 379 H VAL 48 H VAL 48 11.805 -4.433 -9.089 380 HA VAL 48 HA VAL 48 12.178 -2.067 -7.279 381 HB VAL 48 HB VAL 48 13.241 -2.624 -10.069 382 1HG1 VAL 48 1HG1 VAL 48 12.737 -0.177 -9.125 383 2HG1 VAL 48 2HG1 VAL 48 14.271 -0.448 -8.296 384 3HG1 VAL 48 3HG1 VAL 48 14.195 -0.518 -10.057 385 1HG2 VAL 48 1HG2 VAL 48 14.620 -2.567 -7.363 386 2HG2 VAL 48 2HG2 VAL 48 14.308 -4.010 -8.329 387 3HG2 VAL 48 3HG2 VAL 48 15.429 -2.781 -8.915 388 H VAL 49 H VAL 49 10.118 -1.154 -7.267 389 HA VAL 49 HA VAL 49 8.702 -0.847 -9.885 390 HB VAL 49 HB VAL 49 7.798 -0.625 -6.995 391 1HG1 VAL 49 1HG1 VAL 49 6.542 0.097 -9.559 392 2HG1 VAL 49 2HG1 VAL 49 5.554 -0.960 -8.550 393 3HG1 VAL 49 3HG1 VAL 49 6.116 0.589 -7.920 394 1HG2 VAL 49 1HG2 VAL 49 8.408 -2.896 -8.370 395 2HG2 VAL 49 2HG2 VAL 49 7.163 -2.817 -7.123 396 3HG2 VAL 49 3HG2 VAL 49 6.717 -2.691 -8.825 397 H THR 50 H THR 50 8.845 1.156 -10.811 398 HA THR 50 HA THR 50 9.273 3.521 -9.010 399 HB THR 50 HB THR 50 10.266 3.003 -11.833 400 HG1 THR 50 HG1 THR 50 11.839 2.051 -10.858 401 1HG2 THR 50 1HG2 THR 50 11.468 5.112 -10.150 402 2HG2 THR 50 2HG2 THR 50 11.070 5.132 -11.868 403 3HG2 THR 50 3HG2 THR 50 9.812 5.427 -10.668 404 H SER 51 H SER 51 7.227 4.447 -8.949 405 HA SER 51 HA SER 51 5.575 4.546 -11.410 406 1HB SER 51 1HB SER 51 5.110 5.482 -8.560 407 2HB SER 51 2HB SER 51 3.882 5.402 -9.821 408 HG SER 51 HG SER 51 3.681 3.367 -9.378 409 H LYS 52 H LYS 52 5.354 6.402 -12.628 410 HA LYS 52 HA LYS 52 6.510 8.942 -11.521 411 1HB LYS 52 1HB LYS 52 6.682 7.725 -14.297 412 2HB LYS 52 2HB LYS 52 7.260 9.342 -13.888 413 1HG LYS 52 1HG LYS 52 8.897 8.469 -12.370 414 2HG LYS 52 2HG LYS 52 8.195 6.853 -12.442 415 1HD LYS 52 1HD LYS 52 9.220 8.196 -14.937 416 2HD LYS 52 2HD LYS 52 10.316 7.325 -13.865 417 1HE LYS 52 1HE LYS 52 8.578 5.383 -14.034 418 2HE LYS 52 2HE LYS 52 8.012 6.242 -15.481 419 1HZ LYS 52 1HZ LYS 52 10.872 5.643 -14.970 420 2HZ LYS 52 2HZ LYS 52 9.866 4.612 -15.871 421 3HZ LYS 52 3HZ LYS 52 10.167 6.189 -16.416 422 H THR 53 H THR 53 4.891 10.440 -11.354 423 HA THR 53 HA THR 53 2.511 10.201 -13.143 424 HB THR 53 HB THR 53 1.983 12.118 -11.228 425 HG1 THR 53 HG1 THR 53 2.826 11.062 -9.305 426 1HG2 THR 53 1HG2 THR 53 0.946 10.126 -9.975 427 2HG2 THR 53 2HG2 THR 53 0.439 10.369 -11.646 428 3HG2 THR 53 3HG2 THR 53 1.623 9.121 -11.257 429 HA PRO 54 HA PRO 54 3.433 13.932 -15.258 430 1HB PRO 54 1HB PRO 54 1.025 15.230 -15.327 431 2HB PRO 54 2HB PRO 54 1.367 13.777 -16.288 432 1HG PRO 54 1HG PRO 54 -0.147 14.049 -13.743 433 2HG PRO 54 2HG PRO 54 -0.462 13.006 -15.137 434 1HD PRO 54 1HD PRO 54 0.687 12.134 -12.815 435 2HD PRO 54 2HD PRO 54 0.956 11.373 -14.399 436 H ARG 55 H ARG 55 2.136 14.121 -12.048 437 HA ARG 55 HA ARG 55 2.865 17.012 -11.826 438 1HB ARG 55 1HB ARG 55 0.609 16.333 -11.139 439 2HB ARG 55 2HB ARG 55 1.286 15.120 -10.053 440 1HG ARG 55 1HG ARG 55 2.414 16.904 -8.766 441 2HG ARG 55 2HG ARG 55 1.713 18.114 -9.841 442 1HD ARG 55 1HD ARG 55 -0.502 17.662 -9.084 443 2HD ARG 55 2HD ARG 55 -0.006 16.145 -8.306 444 HE ARG 55 HE ARG 55 1.260 18.664 -7.366 445 1HH1 ARG 55 1HH1 ARG 55 1.546 16.112 -5.857 446 2HH1 ARG 55 2HH1 ARG 55 0.357 16.282 -4.609 447 1HH2 ARG 55 1HH2 ARG 55 -1.335 18.855 -6.203 448 2HH2 ARG 55 2HH2 ARG 55 -1.274 17.834 -4.805 449 H GLN 56 H GLN 56 3.756 13.796 -10.766 450 HA GLN 56 HA GLN 56 6.251 14.809 -9.608 451 1HB GLN 56 1HB GLN 56 5.733 14.001 -7.335 452 2HB GLN 56 2HB GLN 56 4.562 15.220 -7.836 453 1HG GLN 56 1HG GLN 56 2.892 13.589 -8.283 454 2HG GLN 56 2HG GLN 56 4.061 12.269 -8.243 455 1HE2 GLN 56 2HE2 GLN 56 3.010 14.931 -6.027 456 2HE2 GLN 56 1HE2 GLN 56 2.979 13.955 -4.639 457 H THR 57 H THR 57 7.554 12.898 -8.716 458 HA THR 57 HA THR 57 6.751 10.330 -10.046 459 HB THR 57 HB THR 57 9.292 10.164 -10.472 460 HG1 THR 57 HG1 THR 57 9.092 12.960 -10.086 461 1HG2 THR 57 1HG2 THR 57 9.034 12.014 -12.352 462 2HG2 THR 57 2HG2 THR 57 8.082 10.531 -12.414 463 3HG2 THR 57 3HG2 THR 57 7.357 12.019 -11.805 464 H VAL 58 H VAL 58 6.776 8.638 -8.618 465 HA VAL 58 HA VAL 58 8.467 8.900 -6.150 466 HB VAL 58 HB VAL 58 6.576 7.605 -5.071 467 1HG1 VAL 58 1HG1 VAL 58 6.546 10.371 -6.047 468 2HG1 VAL 58 2HG1 VAL 58 4.936 9.749 -5.684 469 3HG1 VAL 58 3HG1 VAL 58 6.185 9.745 -4.439 470 1HG2 VAL 58 1HG2 VAL 58 5.286 8.190 -7.754 471 2HG2 VAL 58 2HG2 VAL 58 5.617 6.598 -7.070 472 3HG2 VAL 58 3HG2 VAL 58 4.405 7.642 -6.328 473 H THR 59 H THR 59 9.929 7.250 -5.957 474 HA THR 59 HA THR 59 9.434 4.738 -7.522 475 HB THR 59 HB THR 59 12.039 5.994 -6.602 476 HG1 THR 59 HG1 THR 59 11.923 7.160 -8.329 477 1HG2 THR 59 1HG2 THR 59 12.799 4.444 -8.586 478 2HG2 THR 59 2HG2 THR 59 12.533 3.752 -6.985 479 3HG2 THR 59 3HG2 THR 59 11.298 3.588 -8.233 480 H ASN 60 H ASN 60 9.811 2.746 -6.448 481 HA ASN 60 HA ASN 60 10.595 2.856 -3.569 482 1HB ASN 60 1HB ASN 60 8.086 1.617 -4.750 483 2HB ASN 60 2HB ASN 60 8.600 1.427 -3.072 484 1HD2 ASN 60 2HD2 ASN 60 6.303 3.024 -4.603 485 2HD2 ASN 60 1HD2 ASN 60 6.332 4.526 -3.812 486 H SER 61 H SER 61 11.519 0.876 -2.827 487 HA SER 61 HA SER 61 11.755 -1.345 -4.810 488 1HB SER 61 1HB SER 61 13.650 0.424 -4.850 489 2HB SER 61 2HB SER 61 14.121 -0.244 -3.290 490 HG SER 61 HG SER 61 14.236 -2.298 -4.330 491 H PHE 62 H PHE 62 11.719 -3.353 -3.810 492 HA PHE 62 HA PHE 62 12.338 -3.566 -0.914 493 1HB PHE 62 1HB PHE 62 10.105 -4.576 -0.501 494 2HB PHE 62 2HB PHE 62 9.966 -2.914 -1.075 495 HD1 PHE 62 HD1 PHE 62 9.590 -6.473 -1.994 496 HD2 PHE 62 HD2 PHE 62 9.089 -2.404 -3.278 497 HE1 PHE 62 HE1 PHE 62 8.222 -7.247 -3.912 498 HE2 PHE 62 HE2 PHE 62 7.722 -3.178 -5.196 499 HZ PHE 62 HZ PHE 62 7.288 -5.599 -5.514 500 H THR 63 H THR 63 12.182 -5.959 -0.248 501 HA THR 63 HA THR 63 12.974 -7.698 -2.564 502 HB THR 63 HB THR 63 13.824 -7.768 0.352 503 HG1 THR 63 HG1 THR 63 15.181 -6.313 -0.258 504 1HG2 THR 63 1HG2 THR 63 15.696 -9.166 -1.016 505 2HG2 THR 63 2HG2 THR 63 14.285 -9.918 -0.271 506 3HG2 THR 63 3HG2 THR 63 14.272 -9.530 -1.992 507 H LEU 64 H LEU 64 12.189 -9.876 -2.525 508 HA LEU 64 HA LEU 64 9.612 -10.240 -1.190 509 1HB LEU 64 1HB LEU 64 11.387 -11.817 -3.054 510 2HB LEU 64 2HB LEU 64 9.922 -12.529 -2.378 511 HG LEU 64 HG LEU 64 9.796 -9.822 -3.676 512 1HD1 LEU 64 1HD1 LEU 64 10.048 -12.504 -5.016 513 2HD1 LEU 64 2HD1 LEU 64 9.058 -11.243 -5.752 514 3HD1 LEU 64 3HD1 LEU 64 10.777 -10.963 -5.470 515 1HD2 LEU 64 1HD2 LEU 64 7.935 -12.075 -2.983 516 2HD2 LEU 64 2HD2 LEU 64 7.752 -10.347 -2.681 517 3HD2 LEU 64 3HD2 LEU 64 7.510 -10.988 -4.306 518 H GLY 65 H GLY 65 9.402 -11.084 0.843 519 1HA GLY 65 1HA GLY 65 9.778 -12.847 2.465 520 2HA GLY 65 2HA GLY 65 11.368 -13.123 1.750 521 H LYS 66 H LYS 66 10.740 -9.820 2.066 522 HA LYS 66 HA LYS 66 11.884 -9.657 4.812 523 1HB LYS 66 1HB LYS 66 13.552 -9.731 2.730 524 2HB LYS 66 2HB LYS 66 13.117 -8.024 2.627 525 1HG LYS 66 1HG LYS 66 15.054 -8.155 4.041 526 2HG LYS 66 2HG LYS 66 13.675 -7.842 5.096 527 1HD LYS 66 1HD LYS 66 13.532 -10.199 5.687 528 2HD LYS 66 2HD LYS 66 14.810 -10.597 4.539 529 1HE LYS 66 1HE LYS 66 15.458 -8.512 6.573 530 2HE LYS 66 2HE LYS 66 15.339 -10.189 7.146 531 1HZ LYS 66 1HZ LYS 66 16.885 -9.334 4.755 532 2HZ LYS 66 2HZ LYS 66 17.572 -9.625 6.282 533 3HZ LYS 66 3HZ LYS 66 16.833 -10.892 5.424 534 H GLU 67 H GLU 67 11.274 -7.741 5.872 535 HA GLU 67 HA GLU 67 9.016 -6.270 4.844 536 1HB GLU 67 1HB GLU 67 9.531 -6.726 7.236 537 2HB GLU 67 2HB GLU 67 10.937 -5.668 7.117 538 1HG GLU 67 1HG GLU 67 9.462 -3.780 6.506 539 2HG GLU 67 2HG GLU 67 8.058 -4.837 6.650 540 H ALA 68 H ALA 68 9.045 -4.511 3.500 541 HA ALA 68 HA ALA 68 11.585 -2.923 3.300 542 1HB ALA 68 1HB ALA 68 11.124 -4.527 1.408 543 2HB ALA 68 2HB ALA 68 9.644 -3.627 1.077 544 3HB ALA 68 3HB ALA 68 11.213 -2.841 0.900 545 H ASP 69 H ASP 69 11.286 -0.663 3.034 546 HA ASP 69 HA ASP 69 8.730 0.404 3.988 547 1HB ASP 69 1HB ASP 69 11.262 1.745 2.977 548 2HB ASP 69 2HB ASP 69 9.986 2.523 3.915 549 H ILE 70 H ILE 70 7.136 1.312 2.716 550 HA ILE 70 HA ILE 70 7.732 1.671 -0.206 551 HB ILE 70 HB ILE 70 5.318 0.573 1.260 552 1HG1 ILE 70 1HG1 ILE 70 7.169 -1.005 0.843 553 2HG1 ILE 70 2HG1 ILE 70 5.773 -1.406 -0.159 554 1HG2 ILE 70 1HG2 ILE 70 4.735 2.156 -0.642 555 2HG2 ILE 70 2HG2 ILE 70 5.569 1.038 -1.721 556 3HG2 ILE 70 3HG2 ILE 70 4.142 0.506 -0.833 557 1HD1 ILE 70 1HD1 ILE 70 6.831 -0.044 -2.011 558 2HD1 ILE 70 2HD1 ILE 70 8.281 0.061 -1.012 559 3HD1 ILE 70 3HD1 ILE 70 7.713 -1.509 -1.581 560 H THR 71 H THR 71 6.867 3.552 -1.158 561 HA THR 71 HA THR 71 5.498 5.460 0.714 562 HB THR 71 HB THR 71 7.468 5.973 -1.542 563 HG1 THR 71 HG1 THR 71 8.918 6.299 0.053 564 1HG2 THR 71 1HG2 THR 71 7.414 8.264 -0.147 565 2HG2 THR 71 2HG2 THR 71 6.318 7.962 -1.495 566 3HG2 THR 71 3HG2 THR 71 5.764 7.724 0.163 567 H THR 72 H THR 72 3.598 6.354 -0.055 568 HA THR 72 HA THR 72 2.557 5.389 -2.644 569 HB THR 72 HB THR 72 0.470 6.352 -1.783 570 HG1 THR 72 HG1 THR 72 0.536 7.911 -0.394 571 1HG2 THR 72 1HG2 THR 72 1.413 5.289 0.766 572 2HG2 THR 72 2HG2 THR 72 0.214 4.631 -0.347 573 3HG2 THR 72 3HG2 THR 72 1.928 4.302 -0.600 574 H MET 73 H MET 73 1.598 6.954 -4.194 575 HA MET 73 HA MET 73 3.388 9.172 -4.764 576 1HB MET 73 1HB MET 73 1.952 7.567 -6.280 577 2HB MET 73 2HB MET 73 0.681 8.759 -6.010 578 1HG MET 73 1HG MET 73 1.700 10.324 -7.311 579 2HG MET 73 2HG MET 73 3.307 9.907 -6.716 580 1HE MET 73 1HE MET 73 0.291 8.597 -8.530 581 2HE MET 73 2HE MET 73 0.887 7.498 -9.772 582 3HE MET 73 3HE MET 73 0.933 7.012 -8.080 583 H ASP 74 H ASP 74 0.627 8.836 -2.775 584 HA ASP 74 HA ASP 74 -0.262 11.641 -3.056 585 1HB ASP 74 1HB ASP 74 -1.950 9.969 -2.747 586 2HB ASP 74 2HB ASP 74 -1.078 9.244 -1.395 587 H GLY 75 H GLY 75 2.021 9.859 -1.209 588 1HA GLY 75 1HA GLY 75 3.641 11.105 0.159 589 2HA GLY 75 2HA GLY 75 2.334 12.198 0.620 590 H LYS 76 H LYS 76 2.605 8.628 0.610 591 HA LYS 76 HA LYS 76 1.941 8.690 3.537 592 1HB LYS 76 1HB LYS 76 0.379 7.817 1.367 593 2HB LYS 76 2HB LYS 76 0.992 6.341 2.112 594 1HG LYS 76 1HG LYS 76 0.291 7.469 4.358 595 2HG LYS 76 2HG LYS 76 -0.707 8.504 3.336 596 1HD LYS 76 1HD LYS 76 -1.651 6.385 2.300 597 2HD LYS 76 2HD LYS 76 -0.828 5.489 3.578 598 1HE LYS 76 1HE LYS 76 -2.113 6.584 5.296 599 2HE LYS 76 2HE LYS 76 -2.776 7.750 4.134 600 1HZ LYS 76 1HZ LYS 76 -3.770 5.921 2.908 601 2HZ LYS 76 2HZ LYS 76 -3.151 4.803 4.028 602 3HZ LYS 76 3HZ LYS 76 -4.327 5.924 4.513 603 H LYS 77 H LYS 77 3.392 7.531 4.751 604 HA LYS 77 HA LYS 77 5.306 5.735 3.316 605 1HB LYS 77 1HB LYS 77 5.386 7.144 6.005 606 2HB LYS 77 2HB LYS 77 6.691 6.152 5.354 607 1HG LYS 77 1HG LYS 77 6.890 7.653 3.417 608 2HG LYS 77 2HG LYS 77 5.562 8.637 4.032 609 1HD LYS 77 1HD LYS 77 6.853 9.195 6.031 610 2HD LYS 77 2HD LYS 77 8.165 8.140 5.505 611 1HE LYS 77 1HE LYS 77 8.645 9.550 3.603 612 2HE LYS 77 2HE LYS 77 7.181 10.515 3.886 613 1HZ LYS 77 1HZ LYS 77 9.404 10.194 5.833 614 2HZ LYS 77 2HZ LYS 77 9.183 11.554 4.838 615 3HZ LYS 77 3HZ LYS 77 8.031 11.170 6.026 616 H LEU 78 H LEU 78 5.391 3.563 3.863 617 HA LEU 78 HA LEU 78 4.316 2.541 6.382 618 1HB LEU 78 1HB LEU 78 2.458 1.302 5.300 619 2HB LEU 78 2HB LEU 78 2.269 3.044 5.100 620 HG LEU 78 HG LEU 78 3.866 2.087 2.936 621 1HD1 LEU 78 1HD1 LEU 78 2.317 0.000 3.827 622 2HD1 LEU 78 2HD1 LEU 78 1.255 0.754 2.638 623 3HD1 LEU 78 3HD1 LEU 78 2.861 0.202 2.162 624 1HD2 LEU 78 1HD2 LEU 78 1.028 3.129 3.169 625 2HD2 LEU 78 2HD2 LEU 78 2.478 4.064 2.803 626 3HD2 LEU 78 3HD2 LEU 78 1.860 2.900 1.631 627 H LYS 79 H LYS 79 4.763 0.244 6.608 628 HA LYS 79 HA LYS 79 6.836 -0.725 4.694 629 1HB LYS 79 1HB LYS 79 6.053 -1.766 7.432 630 2HB LYS 79 2HB LYS 79 7.555 -2.081 6.560 631 1HG LYS 79 1HG LYS 79 8.253 0.213 6.776 632 2HG LYS 79 2HG LYS 79 6.675 0.690 7.407 633 1HD LYS 79 1HD LYS 79 8.255 -1.431 8.831 634 2HD LYS 79 2HD LYS 79 8.661 0.269 9.078 635 1HE LYS 79 1HE LYS 79 6.282 0.718 9.699 636 2HE LYS 79 2HE LYS 79 5.949 -1.020 9.556 637 1HZ LYS 79 1HZ LYS 79 7.709 -1.458 11.151 638 2HZ LYS 79 2HZ LYS 79 8.022 0.205 11.300 639 3HZ LYS 79 3HZ LYS 79 6.543 -0.429 11.834 640 H CYS 80 H CYS 80 6.607 -2.756 3.676 641 HA CYS 80 HA CYS 80 4.235 -4.427 4.274 642 1HB CYS 80 1HB CYS 80 4.588 -2.602 1.957 643 2HB CYS 80 2HB CYS 80 3.965 -4.207 1.579 644 HG CYS 80 HG CYS 80 2.480 -2.042 3.188 645 H THR 81 H THR 81 4.761 -6.566 3.936 646 HA THR 81 HA THR 81 7.396 -7.177 2.709 647 HB THR 81 HB THR 81 5.455 -9.061 4.062 648 HG1 THR 81 HG1 THR 81 6.482 -8.458 5.997 649 1HG2 THR 81 1HG2 THR 81 7.540 -10.211 4.701 650 2HG2 THR 81 2HG2 THR 81 7.421 -10.041 2.949 651 3HG2 THR 81 3HG2 THR 81 8.478 -8.970 3.871 652 H VAL 82 H VAL 82 7.059 -7.177 0.456 653 HA VAL 82 HA VAL 82 4.710 -8.274 -0.822 654 HB VAL 82 HB VAL 82 7.519 -7.758 -1.851 655 1HG1 VAL 82 1HG1 VAL 82 4.842 -8.063 -3.239 656 2HG1 VAL 82 2HG1 VAL 82 6.289 -7.436 -4.027 657 3HG1 VAL 82 3HG1 VAL 82 6.260 -9.094 -3.429 658 1HG2 VAL 82 1HG2 VAL 82 5.832 -5.930 -0.703 659 2HG2 VAL 82 2HG2 VAL 82 7.016 -5.535 -1.950 660 3HG2 VAL 82 3HG2 VAL 82 5.335 -5.839 -2.392 661 H HIS 83 H HIS 83 4.396 -10.346 -1.679 662 HA HIS 83 HA HIS 83 6.629 -12.312 -1.523 663 1HB HIS 83 1HB HIS 83 5.142 -13.848 -0.255 664 2HB HIS 83 2HB HIS 83 5.439 -12.354 0.636 665 HD1 HIS 83 HD1 HIS 83 3.407 -11.109 1.389 666 HD2 HIS 83 HD2 HIS 83 2.536 -13.726 -1.736 667 HE1 HIS 83 HE1 HIS 83 0.899 -11.016 1.056 668 H LEU 84 H LEU 84 6.301 -14.121 -2.941 669 HA LEU 84 HA LEU 84 4.314 -13.618 -5.092 670 1HB LEU 84 1HB LEU 84 6.977 -14.742 -4.789 671 2HB LEU 84 2HB LEU 84 5.927 -15.848 -5.676 672 HG LEU 84 HG LEU 84 5.218 -13.779 -7.048 673 1HD1 LEU 84 1HD1 LEU 84 7.671 -12.770 -5.597 674 2HD1 LEU 84 2HD1 LEU 84 7.152 -12.092 -7.140 675 3HD1 LEU 84 3HD1 LEU 84 6.092 -11.996 -5.733 676 1HD2 LEU 84 1HD2 LEU 84 7.896 -15.153 -7.145 677 2HD2 LEU 84 2HD2 LEU 84 6.502 -15.369 -8.203 678 3HD2 LEU 84 3HD2 LEU 84 7.496 -13.917 -8.337 679 H ALA 85 H ALA 85 2.506 -14.892 -5.313 680 HA ALA 85 HA ALA 85 2.445 -17.558 -3.963 681 1HB ALA 85 1HB ALA 85 1.431 -15.408 -2.743 682 2HB ALA 85 2HB ALA 85 0.063 -15.753 -3.802 683 3HB ALA 85 3HB ALA 85 0.621 -16.972 -2.655 684 H ASN 86 H ASN 86 1.547 -19.080 -5.308 685 HA ASN 86 HA ASN 86 0.438 -20.000 -7.183 686 1HB ASN 86 1HB ASN 86 -1.157 -17.519 -6.509 687 2HB ASN 86 2HB ASN 86 -1.666 -18.643 -7.770 688 1HD2 ASN 86 2HD2 ASN 86 -3.224 -18.245 -5.384 689 2HD2 ASN 86 1HD2 ASN 86 -3.192 -19.684 -4.486 690 H GLY 87 H GLY 87 2.548 -17.674 -7.433 691 1HA GLY 87 1HA GLY 87 3.698 -16.929 -9.376 692 2HA GLY 87 2HA GLY 87 2.362 -17.525 -10.361 693 H LYS 88 H LYS 88 2.199 -15.284 -7.606 694 HA LYS 88 HA LYS 88 1.670 -12.996 -9.402 695 1HB LYS 88 1HB LYS 88 -0.403 -14.231 -7.560 696 2HB LYS 88 2HB LYS 88 -0.605 -12.695 -8.403 697 1HG LYS 88 1HG LYS 88 -0.322 -13.849 -10.571 698 2HG LYS 88 2HG LYS 88 -0.144 -15.386 -9.723 699 1HD LYS 88 1HD LYS 88 -2.415 -15.022 -8.714 700 2HD LYS 88 2HD LYS 88 -2.589 -13.596 -9.737 701 1HE LYS 88 1HE LYS 88 -2.389 -14.960 -11.755 702 2HE LYS 88 2HE LYS 88 -2.078 -16.408 -10.776 703 1HZ LYS 88 1HZ LYS 88 -4.493 -14.708 -10.466 704 2HZ LYS 88 2HZ LYS 88 -4.456 -16.101 -11.439 705 3HZ LYS 88 3HZ LYS 88 -4.203 -16.230 -9.766 706 H LEU 89 H LEU 89 2.408 -11.157 -8.396 707 HA LEU 89 HA LEU 89 3.531 -11.276 -5.724 708 1HB LEU 89 1HB LEU 89 4.239 -9.905 -7.780 709 2HB LEU 89 2HB LEU 89 2.908 -8.819 -7.378 710 HG LEU 89 HG LEU 89 4.778 -9.568 -5.177 711 1HD1 LEU 89 1HD1 LEU 89 5.511 -7.994 -7.613 712 2HD1 LEU 89 2HD1 LEU 89 6.078 -7.410 -6.048 713 3HD1 LEU 89 3HD1 LEU 89 6.521 -9.027 -6.598 714 1HD2 LEU 89 1HD2 LEU 89 3.140 -7.180 -6.029 715 2HD2 LEU 89 2HD2 LEU 89 3.020 -8.121 -4.542 716 3HD2 LEU 89 3HD2 LEU 89 4.384 -7.032 -4.787 717 H VAL 90 H VAL 90 2.512 -10.789 -3.811 718 HA VAL 90 HA VAL 90 0.004 -9.162 -3.892 719 HB VAL 90 HB VAL 90 0.448 -11.839 -2.529 720 1HG1 VAL 90 1HG1 VAL 90 -0.965 -10.217 -1.233 721 2HG1 VAL 90 2HG1 VAL 90 -2.047 -10.117 -2.623 722 3HG1 VAL 90 3HG1 VAL 90 -1.851 -11.645 -1.766 723 1HG2 VAL 90 1HG2 VAL 90 -0.691 -10.994 -5.104 724 2HG2 VAL 90 2HG2 VAL 90 -0.168 -12.594 -4.580 725 3HG2 VAL 90 3HG2 VAL 90 -1.777 -12.011 -4.159 726 H THR 91 H THR 91 0.181 -7.538 -2.402 727 HA THR 91 HA THR 91 2.053 -7.940 -0.089 728 HB THR 91 HB THR 91 1.176 -5.445 -1.583 729 HG1 THR 91 HG1 THR 91 3.615 -6.888 -1.488 730 1HG2 THR 91 1HG2 THR 91 2.946 -4.335 -0.227 731 2HG2 THR 91 2HG2 THR 91 1.621 -4.947 0.765 732 3HG2 THR 91 3HG2 THR 91 3.144 -5.830 0.689 733 H LYS 92 H LYS 92 0.367 -8.802 1.298 734 HA LYS 92 HA LYS 92 -2.083 -7.237 1.752 735 1HB LYS 92 1HB LYS 92 -2.535 -9.077 3.341 736 2HB LYS 92 2HB LYS 92 -2.007 -9.712 1.782 737 1HG LYS 92 1HG LYS 92 0.314 -9.882 2.676 738 2HG LYS 92 2HG LYS 92 -0.281 -9.349 4.249 739 1HD LYS 92 1HD LYS 92 -1.869 -11.294 4.238 740 2HD LYS 92 2HD LYS 92 -1.092 -11.861 2.759 741 1HE LYS 92 1HE LYS 92 1.026 -11.333 4.545 742 2HE LYS 92 2HE LYS 92 -0.204 -12.187 5.497 743 1HZ LYS 92 1HZ LYS 92 -0.419 -13.740 3.569 744 2HZ LYS 92 2HZ LYS 92 0.961 -13.018 2.896 745 3HZ LYS 92 3HZ LYS 92 1.070 -13.835 4.383 746 H SER 93 H SER 93 -2.620 -6.673 4.110 747 HA SER 93 HA SER 93 -0.346 -6.130 5.894 748 1HB SER 93 1HB SER 93 -0.144 -4.316 4.287 749 2HB SER 93 2HB SER 93 -1.862 -3.954 4.420 750 HG SER 93 HG SER 93 0.152 -3.684 6.401 751 H GLU 94 H GLU 94 -1.666 -4.061 7.369 752 HA GLU 94 HA GLU 94 -3.986 -5.606 8.467 753 1HB GLU 94 1HB GLU 94 -1.876 -5.188 9.824 754 2HB GLU 94 2HB GLU 94 -2.288 -3.472 9.791 755 1HG GLU 94 1HG GLU 94 -4.600 -4.223 10.694 756 2HG GLU 94 2HG GLU 94 -3.790 -5.739 11.095 757 H LYS 95 H LYS 95 -4.153 -3.688 6.198 758 HA LYS 95 HA LYS 95 -6.448 -2.169 7.067 759 1HB LYS 95 1HB LYS 95 -5.382 0.073 6.923 760 2HB LYS 95 2HB LYS 95 -4.665 -0.905 8.206 761 1HG LYS 95 1HG LYS 95 -2.663 -1.113 7.115 762 2HG LYS 95 2HG LYS 95 -3.419 -1.158 5.523 763 1HD LYS 95 1HD LYS 95 -3.377 1.120 5.286 764 2HD LYS 95 2HD LYS 95 -3.639 1.407 7.007 765 1HE LYS 95 1HE LYS 95 -1.075 0.101 6.555 766 2HE LYS 95 2HE LYS 95 -1.190 1.631 5.662 767 1HZ LYS 95 1HZ LYS 95 -2.070 1.357 8.479 768 2HZ LYS 95 2HZ LYS 95 -0.488 1.817 8.066 769 3HZ LYS 95 3HZ LYS 95 -1.799 2.787 7.603 770 H PHE 96 H PHE 96 -4.663 -3.615 4.751 771 HA PHE 96 HA PHE 96 -6.315 -2.927 2.558 772 1HB PHE 96 1HB PHE 96 -5.003 -1.244 1.413 773 2HB PHE 96 2HB PHE 96 -5.254 -0.683 3.066 774 HD1 PHE 96 HD1 PHE 96 -2.890 -3.198 1.599 775 HD2 PHE 96 HD2 PHE 96 -3.351 0.485 3.760 776 HE1 PHE 96 HE1 PHE 96 -0.436 -3.089 1.936 777 HE2 PHE 96 HE2 PHE 96 -0.897 0.595 4.098 778 HZ PHE 96 HZ PHE 96 0.561 -1.192 3.186 779 H SER 97 H SER 97 -5.806 -4.277 0.817 780 HA SER 97 HA SER 97 -3.248 -5.827 1.047 781 1HB SER 97 1HB SER 97 -5.998 -6.555 0.912 782 2HB SER 97 2HB SER 97 -5.250 -7.077 -0.594 783 HG SER 97 HG SER 97 -5.122 -8.568 1.250 784 H HIS 98 H HIS 98 -2.651 -6.779 -1.230 785 HA HIS 98 HA HIS 98 -3.370 -5.043 -3.509 786 1HB HIS 98 1HB HIS 98 -1.623 -3.832 -2.191 787 2HB HIS 98 2HB HIS 98 -0.544 -5.210 -2.413 788 HD2 HIS 98 HD2 HIS 98 -1.366 -1.961 -4.223 789 HE1 HIS 98 HE1 HIS 98 0.290 -4.499 -7.178 790 HE2 HIS 98 HE2 HIS 98 -0.400 -2.140 -6.619 791 H GLU 99 H GLU 99 -3.144 -6.190 -5.425 792 HA GLU 99 HA GLU 99 -1.337 -8.545 -5.522 793 1HB GLU 99 1HB GLU 99 -3.496 -9.311 -4.584 794 2HB GLU 99 2HB GLU 99 -4.337 -8.641 -5.982 795 1HG GLU 99 1HG GLU 99 -3.082 -10.148 -7.472 796 2HG GLU 99 2HG GLU 99 -2.224 -10.815 -6.083 797 H GLN 100 H GLN 100 -0.346 -8.504 -7.501 798 HA GLN 100 HA GLN 100 -1.812 -7.231 -9.791 799 1HB GLN 100 1HB GLN 100 -0.028 -5.804 -8.894 800 2HB GLN 100 2HB GLN 100 1.124 -7.134 -9.025 801 1HG GLN 100 1HG GLN 100 0.953 -7.145 -11.430 802 2HG GLN 100 2HG GLN 100 -0.391 -6.003 -11.392 803 1HE2 GLN 100 2HE2 GLN 100 2.570 -5.880 -12.449 804 2HE2 GLN 100 1HE2 GLN 100 3.121 -4.391 -11.846 805 H GLU 101 H GLU 101 -1.117 -8.080 -11.929 806 HA GLU 101 HA GLU 101 0.466 -10.552 -12.023 807 1HB GLU 101 1HB GLU 101 -1.939 -11.013 -11.135 808 2HB GLU 101 2HB GLU 101 -2.445 -10.719 -12.800 809 1HG GLU 101 1HG GLU 101 -0.172 -12.607 -12.280 810 2HG GLU 101 2HG GLU 101 -1.826 -13.164 -12.028 811 H VAL 102 H VAL 102 1.029 -11.079 -14.193 812 HA VAL 102 HA VAL 102 0.127 -9.085 -16.248 813 HB VAL 102 HB VAL 102 2.513 -9.023 -15.457 814 1HG1 VAL 102 1HG1 VAL 102 2.729 -11.454 -15.029 815 2HG1 VAL 102 2HG1 VAL 102 2.615 -11.761 -16.762 816 3HG1 VAL 102 3HG1 VAL 102 3.995 -10.875 -16.112 817 1HG2 VAL 102 1HG2 VAL 102 1.892 -8.269 -17.734 818 2HG2 VAL 102 2HG2 VAL 102 3.496 -9.004 -17.720 819 3HG2 VAL 102 3HG2 VAL 102 2.114 -9.912 -18.333 820 H LYS 103 H LYS 103 -0.545 -9.900 -18.255 821 HA LYS 103 HA LYS 103 -0.472 -12.875 -18.616 822 1HB LYS 103 1HB LYS 103 -2.762 -10.909 -18.812 823 2HB LYS 103 2HB LYS 103 -2.836 -12.497 -19.577 824 1HG LYS 103 1HG LYS 103 -2.312 -13.528 -17.349 825 2HG LYS 103 2HG LYS 103 -2.438 -11.923 -16.628 826 1HD LYS 103 1HD LYS 103 -4.762 -11.741 -17.470 827 2HD LYS 103 2HD LYS 103 -4.634 -13.368 -18.140 828 1HE LYS 103 1HE LYS 103 -4.140 -14.222 -15.823 829 2HE LYS 103 2HE LYS 103 -4.484 -12.593 -15.207 830 1HZ LYS 103 1HZ LYS 103 -6.339 -14.135 -16.940 831 2HZ LYS 103 2HZ LYS 103 -6.459 -14.084 -15.249 832 3HZ LYS 103 3HZ LYS 103 -6.655 -12.661 -16.156 833 H GLY 104 H GLY 104 1.211 -12.648 -20.207 834 1HA GLY 104 1HA GLY 104 1.826 -12.580 -22.493 835 2HA GLY 104 2HA GLY 104 0.243 -11.894 -22.863 836 H ASN 105 H ASN 105 0.182 -9.747 -23.339 837 HA ASN 105 HA ASN 105 2.621 -8.120 -22.709 838 1HB ASN 105 1HB ASN 105 1.922 -6.826 -24.709 839 2HB ASN 105 2HB ASN 105 2.127 -8.536 -25.092 840 1HD2 ASN 105 2HD2 ASN 105 0.453 -9.270 -26.398 841 2HD2 ASN 105 1HD2 ASN 105 -1.163 -8.760 -26.297 842 H GLU 106 H GLU 106 -0.251 -8.637 -21.357 843 HA GLU 106 HA GLU 106 -0.823 -5.729 -20.879 844 1HB GLU 106 1HB GLU 106 -2.553 -8.207 -21.010 845 2HB GLU 106 2HB GLU 106 -3.137 -6.701 -20.302 846 1HG GLU 106 1HG GLU 106 -2.683 -5.513 -22.403 847 2HG GLU 106 2HG GLU 106 -2.052 -6.997 -23.119 848 H MET 107 H MET 107 -1.384 -5.165 -18.667 849 HA MET 107 HA MET 107 -0.516 -7.192 -16.631 850 1HB MET 107 1HB MET 107 0.436 -4.530 -17.322 851 2HB MET 107 2HB MET 107 -0.052 -4.611 -15.627 852 1HG MET 107 1HG MET 107 1.296 -6.936 -15.792 853 2HG MET 107 2HG MET 107 2.157 -6.026 -17.033 854 1HE MET 107 1HE MET 107 3.115 -7.279 -14.276 855 2HE MET 107 2HE MET 107 4.306 -6.501 -15.315 856 3HE MET 107 3HE MET 107 4.211 -6.077 -13.599 857 H VAL 108 H VAL 108 -1.827 -7.336 -14.792 858 HA VAL 108 HA VAL 108 -4.145 -5.437 -14.624 859 HB VAL 108 HB VAL 108 -4.064 -8.450 -14.255 860 1HG1 VAL 108 1HG1 VAL 108 -6.360 -6.480 -14.030 861 2HG1 VAL 108 2HG1 VAL 108 -6.520 -8.235 -13.977 862 3HG1 VAL 108 3HG1 VAL 108 -5.644 -7.390 -12.700 863 1HG2 VAL 108 1HG2 VAL 108 -4.929 -6.605 -16.451 864 2HG2 VAL 108 2HG2 VAL 108 -4.132 -8.174 -16.558 865 3HG2 VAL 108 3HG2 VAL 108 -5.854 -8.083 -16.189 866 H GLU 109 H GLU 109 -4.082 -4.399 -12.673 867 HA GLU 109 HA GLU 109 -2.687 -5.737 -10.387 868 1HB GLU 109 1HB GLU 109 -3.185 -2.910 -11.285 869 2HB GLU 109 2HB GLU 109 -2.839 -3.231 -9.585 870 1HG GLU 109 1HG GLU 109 -0.729 -4.266 -10.134 871 2HG GLU 109 2HG GLU 109 -1.096 -4.214 -11.859 872 H THR 110 H THR 110 -4.066 -6.624 -8.903 873 HA THR 110 HA THR 110 -6.815 -5.467 -8.633 874 HB THR 110 HB THR 110 -7.264 -7.740 -7.622 875 HG1 THR 110 HG1 THR 110 -5.660 -9.248 -7.723 876 1HG2 THR 110 1HG2 THR 110 -6.927 -8.974 -9.825 877 2HG2 THR 110 2HG2 THR 110 -7.815 -7.453 -9.931 878 3HG2 THR 110 3HG2 THR 110 -6.119 -7.520 -10.412 879 H ILE 111 H ILE 111 -7.066 -4.189 -6.845 880 HA ILE 111 HA ILE 111 -5.550 -4.919 -4.361 881 HB ILE 111 HB ILE 111 -6.153 -2.145 -5.436 882 1HG1 ILE 111 1HG1 ILE 111 -3.553 -3.715 -5.438 883 2HG1 ILE 111 2HG1 ILE 111 -4.541 -3.389 -6.862 884 1HG2 ILE 111 1HG2 ILE 111 -5.890 -2.430 -2.941 885 2HG2 ILE 111 2HG2 ILE 111 -4.258 -3.026 -3.241 886 3HG2 ILE 111 3HG2 ILE 111 -4.687 -1.372 -3.679 887 1HD1 ILE 111 1HD1 ILE 111 -3.369 -1.233 -5.084 888 2HD1 ILE 111 2HD1 ILE 111 -2.628 -1.786 -6.585 889 3HD1 ILE 111 3HD1 ILE 111 -4.206 -0.999 -6.618 890 H THR 112 H THR 112 -6.871 -5.097 -2.582 891 HA THR 112 HA THR 112 -9.689 -4.108 -2.840 892 HB THR 112 HB THR 112 -9.386 -6.536 -2.629 893 HG1 THR 112 HG1 THR 112 -11.136 -5.575 -1.523 894 1HG2 THR 112 1HG2 THR 112 -8.383 -7.399 -0.466 895 2HG2 THR 112 2HG2 THR 112 -7.231 -6.660 -1.579 896 3HG2 THR 112 3HG2 THR 112 -7.800 -5.761 -0.171 897 H PHE 113 H PHE 113 -10.503 -2.755 -1.225 898 HA PHE 113 HA PHE 113 -9.061 -2.356 1.305 899 1HB PHE 113 1HB PHE 113 -7.807 -1.074 -0.475 900 2HB PHE 113 2HB PHE 113 -9.262 -0.109 -0.723 901 HD1 PHE 113 HD1 PHE 113 -10.315 0.949 1.448 902 HD2 PHE 113 HD2 PHE 113 -6.244 -0.384 1.124 903 HE1 PHE 113 HE1 PHE 113 -9.689 2.391 3.366 904 HE2 PHE 113 HE2 PHE 113 -5.619 1.059 3.040 905 HZ PHE 113 HZ PHE 113 -7.342 2.445 4.163 906 H GLY 114 H GLY 114 -10.617 -1.897 2.812 907 1HA GLY 114 1HA GLY 114 -12.605 -1.066 3.755 908 2HA GLY 114 2HA GLY 114 -12.754 -0.013 2.347 909 H GLY 115 H GLY 115 -12.503 -3.529 2.176 910 1HA GLY 115 1HA GLY 115 -14.085 -5.144 1.523 911 2HA GLY 115 2HA GLY 115 -15.353 -3.982 1.919 912 H VAL 116 H VAL 116 -13.003 -2.704 -0.181 913 HA VAL 116 HA VAL 116 -14.837 -3.151 -2.516 914 HB VAL 116 HB VAL 116 -13.001 -0.840 -1.801 915 1HG1 VAL 116 1HG1 VAL 116 -13.281 -1.250 -4.259 916 2HG1 VAL 116 2HG1 VAL 116 -15.025 -1.087 -4.047 917 3HG1 VAL 116 3HG1 VAL 116 -13.966 0.287 -3.730 918 1HG2 VAL 116 1HG2 VAL 116 -15.979 -1.302 -1.595 919 2HG2 VAL 116 2HG2 VAL 116 -14.871 -0.725 -0.351 920 3HG2 VAL 116 3HG2 VAL 116 -15.311 0.327 -1.697 921 H THR 117 H THR 117 -13.898 -3.906 -4.416 922 HA THR 117 HA THR 117 -10.953 -4.459 -4.327 923 HB THR 117 HB THR 117 -13.183 -5.821 -5.874 924 HG1 THR 117 HG1 THR 117 -11.829 -6.573 -3.498 925 1HG2 THR 117 1HG2 THR 117 -11.200 -7.631 -5.719 926 2HG2 THR 117 2HG2 THR 117 -11.324 -6.474 -7.044 927 3HG2 THR 117 3HG2 THR 117 -10.233 -6.156 -5.694 928 H LEU 118 H LEU 118 -9.703 -3.560 -5.940 929 HA LEU 118 HA LEU 118 -11.135 -2.137 -8.160 930 1HB LEU 118 1HB LEU 118 -9.933 -0.714 -6.550 931 2HB LEU 118 2HB LEU 118 -8.456 -1.642 -6.817 932 HG LEU 118 HG LEU 118 -8.618 -1.014 -9.264 933 1HD1 LEU 118 1HD1 LEU 118 -11.080 -0.435 -9.098 934 2HD1 LEU 118 2HD1 LEU 118 -10.605 1.036 -8.248 935 3HD1 LEU 118 3HD1 LEU 118 -10.092 0.776 -9.915 936 1HD2 LEU 118 1HD2 LEU 118 -7.262 0.195 -7.407 937 2HD2 LEU 118 2HD2 LEU 118 -7.512 1.048 -8.930 938 3HD2 LEU 118 3HD2 LEU 118 -8.497 1.448 -7.523 939 H ILE 119 H ILE 119 -10.242 -2.339 -10.287 940 HA ILE 119 HA ILE 119 -8.147 -4.462 -10.615 941 HB ILE 119 HB ILE 119 -10.729 -4.033 -12.154 942 1HG1 ILE 119 1HG1 ILE 119 -9.855 -6.374 -10.435 943 2HG1 ILE 119 2HG1 ILE 119 -10.886 -5.068 -9.849 944 1HG2 ILE 119 1HG2 ILE 119 -8.342 -5.813 -12.578 945 2HG2 ILE 119 2HG2 ILE 119 -9.942 -6.356 -13.085 946 3HG2 ILE 119 3HG2 ILE 119 -9.256 -4.880 -13.764 947 1HD1 ILE 119 1HD1 ILE 119 -12.297 -5.635 -12.013 948 2HD1 ILE 119 2HD1 ILE 119 -11.490 -7.196 -11.872 949 3HD1 ILE 119 3HD1 ILE 119 -12.490 -6.598 -10.549 950 H ARG 120 H ARG 120 -6.509 -2.905 -11.105 951 HA ARG 120 HA ARG 120 -6.999 -0.900 -13.219 952 1HB ARG 120 1HB ARG 120 -5.657 -0.625 -11.041 953 2HB ARG 120 2HB ARG 120 -4.409 -1.598 -11.820 954 1HG ARG 120 1HG ARG 120 -3.988 0.019 -13.462 955 2HG ARG 120 2HG ARG 120 -5.558 0.792 -13.240 956 1HD ARG 120 1HD ARG 120 -3.887 2.234 -12.228 957 2HD ARG 120 2HD ARG 120 -4.772 1.453 -10.902 958 HE ARG 120 HE ARG 120 -2.873 -0.301 -10.992 959 1HH1 ARG 120 1HH1 ARG 120 -2.517 2.889 -10.326 960 2HH1 ARG 120 2HH1 ARG 120 -0.833 3.002 -10.713 961 1HH2 ARG 120 1HH2 ARG 120 -0.691 -0.128 -12.198 962 2HH2 ARG 120 2HH2 ARG 120 0.201 1.294 -11.772 963 H ARG 121 H ARG 121 -6.439 -1.226 -15.344 964 HA ARG 121 HA ARG 121 -4.876 -3.694 -16.010 965 1HB ARG 121 1HB ARG 121 -7.110 -2.134 -17.273 966 2HB ARG 121 2HB ARG 121 -6.053 -3.097 -18.306 967 1HG ARG 121 1HG ARG 121 -6.489 -5.010 -16.607 968 2HG ARG 121 2HG ARG 121 -7.853 -4.027 -16.074 969 1HD ARG 121 1HD ARG 121 -8.327 -3.916 -18.709 970 2HD ARG 121 2HD ARG 121 -7.462 -5.465 -18.664 971 HE ARG 121 HE ARG 121 -10.050 -4.902 -17.374 972 1HH1 ARG 121 1HH1 ARG 121 -8.302 -7.300 -18.770 973 2HH1 ARG 121 2HH1 ARG 121 -8.580 -8.504 -17.554 974 1HH2 ARG 121 1HH2 ARG 121 -9.965 -6.273 -15.289 975 2HH2 ARG 121 2HH2 ARG 121 -9.522 -7.922 -15.583 976 H SER 122 H SER 122 -2.834 -3.333 -16.780 977 HA SER 122 HA SER 122 -2.249 -0.672 -18.044 978 1HB SER 122 1HB SER 122 -0.607 -2.477 -16.246 979 2HB SER 122 2HB SER 122 0.060 -1.077 -17.080 980 HG SER 122 HG SER 122 -0.688 -0.659 -14.908 981 H LYS 123 H LYS 123 -0.861 -0.726 -19.886 982 HA LYS 123 HA LYS 123 -0.473 -3.452 -21.079 983 1HB LYS 123 1HB LYS 123 -2.032 -1.479 -22.001 984 2HB LYS 123 2HB LYS 123 -0.505 -0.939 -22.700 985 1HG LYS 123 1HG LYS 123 -0.198 -3.096 -23.798 986 2HG LYS 123 2HG LYS 123 -1.652 -3.727 -23.026 987 1HD LYS 123 1HD LYS 123 -2.982 -1.951 -24.175 988 2HD LYS 123 2HD LYS 123 -1.518 -1.447 -25.021 989 1HE LYS 123 1HE LYS 123 -2.500 -2.924 -26.572 990 2HE LYS 123 2HE LYS 123 -1.387 -3.999 -25.702 991 1HZ LYS 123 1HZ LYS 123 -4.228 -3.535 -24.961 992 2HZ LYS 123 2HZ LYS 123 -3.657 -4.902 -25.793 993 3HZ LYS 123 3HZ LYS 123 -3.154 -4.603 -24.199 994 H ARG 124 H ARG 124 1.530 -3.804 -22.228 995 HA ARG 124 HA ARG 124 3.832 -2.416 -21.084 996 1HB ARG 124 1HB ARG 124 3.663 -4.865 -21.615 997 2HB ARG 124 2HB ARG 124 3.634 -4.450 -23.329 998 1HG ARG 124 1HG ARG 124 5.837 -3.484 -23.213 999 2HG ARG 124 2HG ARG 124 5.858 -3.611 -21.453 1000 1HD ARG 124 1HD ARG 124 7.172 -5.449 -22.449 1001 2HD ARG 124 2HD ARG 124 5.716 -6.107 -21.675 1002 HE ARG 124 HE ARG 124 4.654 -6.102 -23.953 1003 1HH1 ARG 124 1HH1 ARG 124 7.382 -7.717 -23.621 1004 2HH1 ARG 124 2HH1 ARG 124 8.022 -7.479 -25.213 1005 1HH2 ARG 124 1HH2 ARG 124 5.769 -4.972 -26.030 1006 2HH2 ARG 124 2HH2 ARG 124 7.108 -5.925 -26.578 1007 H VAL 125 HN VAL 125 5.000 -0.774 -22.043 1008 HA VAL 125 HA VAL 125 4.379 -0.101 -24.900 1009 HB VAL 125 HB VAL 125 4.766 1.745 -22.519 1010 1HG1 VAL 125 1HG1 VAL 125 4.387 2.215 -25.474 1011 2HG1 VAL 125 2HG1 VAL 125 3.882 3.424 -24.292 1012 3HG1 VAL 125 3HG1 VAL 125 5.574 2.937 -24.387 1013 1HG2 VAL 125 1HG2 VAL 125 2.368 0.720 -24.020 1014 2HG2 VAL 125 2HG2 VAL 125 2.598 0.887 -22.280 1015 3HG2 VAL 125 3HG2 VAL 125 2.317 2.317 -23.273 1016 1H1 JN3 130 1H1 JN3 130 -3.848 1.702 -7.606 1017 2H1 JN3 130 2H1 JN3 130 -3.332 3.015 -8.718 1018 1H2 JN3 130 1H2 JN3 130 -1.127 2.983 -7.754 1019 2H2 JN3 130 2H2 JN3 130 -1.598 1.360 -8.391 1020 H3 JN3 130 H3 JN3 130 -2.248 0.618 -6.026 1021 HO3 JN3 130 HO3 JN3 130 -0.148 0.596 -5.032 1022 1H4 JN3 130 1H4 JN3 130 -1.308 3.396 -5.175 1023 2H4 JN3 130 2H4 JN3 130 -1.847 2.107 -4.082 1024 H5 JN3 130 H5 JN3 130 -4.177 2.161 -5.233 1025 1H6 JN3 130 1H6 JN3 130 -3.843 3.602 -3.201 1026 2H6 JN3 130 2H6 JN3 130 -4.981 4.291 -4.349 1027 H7 JN3 130 H7 JN3 130 -3.397 6.003 -3.461 1028 HO7 JN3 130 HO7 JN3 130 -1.576 4.472 -3.236 1029 H8 JN3 130 H8 JN3 130 -4.347 6.294 -5.714 1030 H9 JN3 130 H9 JN3 130 -1.705 4.824 -6.661 1031 1H11 JN3 130 1H11 JN3 130 -4.002 6.031 -8.339 1032 2H11 JN3 130 2H11 JN3 130 -2.664 5.096 -9.010 1033 1H12 JN3 130 1H12 JN3 130 -2.168 7.507 -9.264 1034 2H12 JN3 130 2H12 JN3 130 -1.041 6.834 -8.084 1035 H14 JN3 130 H14 JN3 130 -1.355 7.206 -5.607 1036 1H15 JN3 130 1H15 JN3 130 -2.335 8.387 -3.791 1037 2H15 JN3 130 2H15 JN3 130 -3.857 8.632 -4.642 1038 1H16 JN3 130 1H16 JN3 130 -1.341 10.147 -4.882 1039 2H16 JN3 130 2H16 JN3 130 -2.966 10.548 -5.548 1040 H17 JN3 130 H17 JN3 130 -0.644 9.080 -6.932 1041 1H18 JN3 130 1H18 JN3 130 -4.486 9.240 -6.696 1042 2H18 JN3 130 2H18 JN3 130 -4.313 8.928 -8.440 1043 3H18 JN3 130 3H18 JN3 130 -4.791 7.610 -7.342 1044 1H19 JN3 130 1H19 JN3 130 -5.522 4.625 -6.269 1045 2H19 JN3 130 2H19 JN3 130 -5.293 4.260 -7.996 1046 3H19 JN3 130 3H19 JN3 130 -5.729 2.959 -6.862 1047 H20 JN3 130 H20 JN3 130 -2.672 11.077 -7.925 1048 1H21 JN3 130 1H21 JN3 130 -1.643 11.135 -10.062 1049 2H21 JN3 130 2H21 JN3 130 -0.672 9.701 -9.653 1050 3H21 JN3 130 3H21 JN3 130 -2.444 9.575 -9.758 1051 1H22 JN3 130 1H22 JN3 130 0.213 11.465 -8.420 1052 2H22 JN3 130 2H22 JN3 130 -0.232 11.366 -6.681 1053 1H23 JN3 130 1H23 JN3 130 -1.991 13.223 -7.318 1054 2H23 JN3 130 2H23 JN3 130 -0.973 13.482 -8.712 1055 1H1 JN3 131 1H1 JN3 131 5.000 -4.905 -4.340 1056 2H1 JN3 131 2H1 JN3 131 3.378 -4.905 -3.569 1057 1H2 JN3 131 1H2 JN3 131 2.432 -3.879 -5.530 1058 2H2 JN3 131 2H2 JN3 131 3.270 -5.430 -5.928 1059 H3 JN3 131 H3 JN3 131 5.338 -4.120 -6.684 1060 HO3 JN3 131 HO3 JN3 131 4.076 -2.634 -8.372 1061 1H4 JN3 131 1H4 JN3 131 3.689 -1.638 -6.021 1062 2H4 JN3 131 2H4 JN3 131 5.305 -1.641 -6.755 1063 H5 JN3 131 H5 JN3 131 6.225 -2.817 -4.627 1064 1H6 JN3 131 1H6 JN3 131 6.309 -0.305 -4.704 1065 2H6 JN3 131 2H6 JN3 131 6.100 -0.932 -3.076 1066 H7 JN3 131 H7 JN3 131 4.608 1.016 -3.527 1067 HO7 JN3 131 HO7 JN3 131 3.901 1.050 -5.564 1068 H8 JN3 131 H8 JN3 131 3.900 -0.691 -1.899 1069 H9 JN3 131 H9 JN3 131 2.418 -1.979 -4.387 1070 1H11 JN3 131 1H11 JN3 131 2.429 -2.858 -1.424 1071 2H11 JN3 131 2H11 JN3 131 1.678 -3.773 -2.733 1072 1H12 JN3 131 1H12 JN3 131 -0.060 -2.433 -1.587 1073 2H12 JN3 131 2H12 JN3 131 0.166 -1.774 -3.209 1074 H14 JN3 131 H14 JN3 131 1.481 0.346 -3.591 1075 1H15 JN3 131 1H15 JN3 131 2.467 2.353 -2.788 1076 2H15 JN3 131 2H15 JN3 131 2.903 1.637 -1.240 1077 1H16 JN3 131 1H16 JN3 131 0.299 2.708 -2.112 1078 2H16 JN3 131 2H16 JN3 131 0.819 2.218 -0.459 1079 H17 JN3 131 H17 JN3 131 -0.682 0.548 -2.561 1080 1H18 JN3 131 1H18 JN3 131 1.920 0.320 0.272 1081 2H18 JN3 131 2H18 JN3 131 1.052 -1.209 0.547 1082 3H18 JN3 131 3H18 JN3 131 2.644 -1.220 -0.249 1083 1H19 JN3 131 1H19 JN3 131 5.273 -2.299 -1.836 1084 2H19 JN3 131 2H19 JN3 131 4.405 -3.841 -1.638 1085 3H19 JN3 131 3H19 JN3 131 5.980 -3.806 -2.467 1086 H20 JN3 131 H20 JN3 131 -0.854 0.291 0.444 1087 1H21 JN3 131 1H21 JN3 131 -3.038 -0.583 0.140 1088 2H21 JN3 131 2H21 JN3 131 -2.827 -0.544 -1.627 1089 3H21 JN3 131 3H21 JN3 131 -1.804 -1.608 -0.632 1090 1H22 JN3 131 1H22 JN3 131 -3.129 1.623 -0.768 1091 2H22 JN3 131 2H22 JN3 131 -1.607 2.507 -1.134 1092 1H23 JN3 131 1H23 JN3 131 -1.226 2.381 1.464 1093 2H23 JN3 131 2H23 JN3 131 -2.939 2.057 1.547 Start of MODEL 3 1 1H ALA 1 1H ALA 1 6.362 -11.651 -17.084 2 2H ALA 1 2H ALA 1 6.802 -12.303 -18.591 3 3H ALA 1 3H ALA 1 5.497 -11.220 -18.478 4 HA ALA 1 HA ALA 1 8.360 -10.565 -17.987 5 1HB ALA 1 1HB ALA 1 7.238 -11.046 -20.340 6 2HB ALA 1 2HB ALA 1 6.567 -9.432 -20.111 7 3HB ALA 1 3HB ALA 1 8.315 -9.664 -20.138 8 H PHE 2 H PHE 2 7.647 -9.642 -15.880 9 HA PHE 2 HA PHE 2 5.633 -7.522 -15.839 10 1HB PHE 2 1HB PHE 2 7.658 -8.702 -13.939 11 2HB PHE 2 2HB PHE 2 6.733 -7.269 -13.491 12 HD1 PHE 2 HD1 PHE 2 4.257 -7.364 -13.335 13 HD2 PHE 2 HD2 PHE 2 6.615 -10.872 -14.096 14 HE1 PHE 2 HE1 PHE 2 2.317 -8.794 -12.752 15 HE2 PHE 2 HE2 PHE 2 4.675 -12.303 -13.513 16 HZ PHE 2 HZ PHE 2 2.526 -11.264 -12.841 17 H SER 3 H SER 3 9.137 -7.721 -16.176 18 HA SER 3 HA SER 3 9.875 -5.054 -15.558 19 1HB SER 3 1HB SER 3 11.867 -5.613 -16.753 20 2HB SER 3 2HB SER 3 11.273 -7.140 -16.108 21 HG SER 3 HG SER 3 11.725 -6.497 -18.628 22 H GLY 4 H GLY 4 9.911 -3.149 -16.808 23 1HA GLY 4 1HA GLY 4 9.792 -2.312 -19.244 24 2HA GLY 4 2HA GLY 4 8.299 -3.248 -19.324 25 H THR 5 H THR 5 7.762 -0.780 -19.906 26 HA THR 5 HA THR 5 7.075 0.688 -17.391 27 HB THR 5 HB THR 5 7.160 1.558 -20.299 28 HG1 THR 5 HG1 THR 5 9.118 2.446 -19.753 29 1HG2 THR 5 1HG2 THR 5 7.103 3.288 -17.823 30 2HG2 THR 5 2HG2 THR 5 6.868 3.785 -19.499 31 3HG2 THR 5 3HG2 THR 5 5.636 2.821 -18.683 32 H TRP 6 H TRP 6 4.926 0.931 -16.840 33 HA TRP 6 HA TRP 6 2.877 0.020 -18.838 34 1HB TRP 6 1HB TRP 6 3.008 -0.241 -15.816 35 2HB TRP 6 2HB TRP 6 1.631 -0.741 -16.799 36 HD1 TRP 6 HD1 TRP 6 4.794 -2.007 -15.430 37 HE1 TRP 6 HE1 TRP 6 5.439 -4.249 -16.526 38 HE3 TRP 6 HE3 TRP 6 1.549 -2.026 -19.373 39 HZ2 TRP 6 HZ2 TRP 6 4.679 -5.840 -18.778 40 HZ3 TRP 6 HZ3 TRP 6 1.531 -3.915 -20.977 41 HH2 TRP 6 HH2 TRP 6 3.091 -5.821 -20.685 42 H GLN 7 H GLN 7 1.193 1.446 -19.206 43 HA GLN 7 HA GLN 7 1.079 3.906 -17.488 44 1HB GLN 7 1HB GLN 7 1.928 4.242 -19.787 45 2HB GLN 7 2HB GLN 7 0.464 3.499 -20.434 46 1HG GLN 7 1HG GLN 7 -0.897 5.272 -19.363 47 2HG GLN 7 2HG GLN 7 0.580 6.028 -18.764 48 1HE2 GLN 7 2HE2 GLN 7 1.024 7.823 -20.051 49 2HE2 GLN 7 1HE2 GLN 7 0.899 7.863 -21.744 50 H VAL 8 H VAL 8 -0.771 3.900 -16.275 51 HA VAL 8 HA VAL 8 -2.993 2.143 -16.693 52 HB VAL 8 HB VAL 8 -2.765 4.773 -15.192 53 1HG1 VAL 8 1HG1 VAL 8 -4.671 2.436 -14.859 54 2HG1 VAL 8 2HG1 VAL 8 -4.592 3.847 -13.805 55 3HG1 VAL 8 3HG1 VAL 8 -5.096 4.028 -15.486 56 1HG2 VAL 8 1HG2 VAL 8 -1.101 2.822 -14.731 57 2HG2 VAL 8 2HG2 VAL 8 -1.945 3.538 -13.359 58 3HG2 VAL 8 3HG2 VAL 8 -2.496 2.003 -14.031 59 H TYR 9 H TYR 9 -4.634 2.327 -18.167 60 HA TYR 9 HA TYR 9 -5.271 5.054 -19.245 61 1HB TYR 9 1HB TYR 9 -5.622 3.890 -21.422 62 2HB TYR 9 2HB TYR 9 -3.968 3.711 -20.837 63 HD1 TYR 9 HD1 TYR 9 -7.306 2.010 -20.720 64 HD2 TYR 9 HD2 TYR 9 -3.034 1.573 -20.641 65 HE1 TYR 9 HE1 TYR 9 -7.558 -0.457 -20.758 66 HE2 TYR 9 HE2 TYR 9 -3.285 -0.894 -20.678 67 HH TYR 9 HH TYR 9 -5.185 -2.534 -21.554 68 H ALA 10 H ALA 10 -6.403 2.028 -17.974 69 HA ALA 10 HA ALA 10 -9.208 3.042 -18.131 70 1HB ALA 10 1HB ALA 10 -8.112 0.365 -19.033 71 2HB ALA 10 2HB ALA 10 -9.831 0.645 -18.753 72 3HB ALA 10 3HB ALA 10 -8.982 1.553 -20.004 73 H GLN 11 H GLN 11 -10.216 2.802 -16.165 74 HA GLN 11 HA GLN 11 -9.279 0.664 -14.305 75 1HB GLN 11 1HB GLN 11 -9.541 3.622 -13.668 76 2HB GLN 11 2HB GLN 11 -9.099 2.363 -12.515 77 1HG GLN 11 1HG GLN 11 -6.961 2.844 -13.101 78 2HG GLN 11 2HG GLN 11 -7.313 1.916 -14.560 79 1HE2 GLN 11 2HE2 GLN 11 -7.144 5.233 -13.260 80 2HE2 GLN 11 1HE2 GLN 11 -7.067 5.998 -14.774 81 H GLU 12 H GLU 12 -10.848 0.449 -12.432 82 HA GLU 12 HA GLU 12 -13.580 1.495 -13.042 83 1HB GLU 12 1HB GLU 12 -13.231 -0.736 -14.098 84 2HB GLU 12 2HB GLU 12 -12.836 -1.401 -12.512 85 1HG GLU 12 1HG GLU 12 -15.062 -0.825 -11.680 86 2HG GLU 12 2HG GLU 12 -15.466 -0.067 -13.220 87 H ASN 13 H ASN 13 -14.869 1.745 -11.167 88 HA ASN 13 HA ASN 13 -15.281 2.052 -8.860 89 1HB ASN 13 1HB ASN 13 -13.475 -0.390 -8.788 90 2HB ASN 13 2HB ASN 13 -14.555 0.123 -7.489 91 1HD2 ASN 13 2HD2 ASN 13 -14.572 -2.352 -9.350 92 2HD2 ASN 13 1HD2 ASN 13 -16.154 -2.381 -9.965 93 H TYR 14 H TYR 14 -12.683 3.101 -10.225 94 HA TYR 14 HA TYR 14 -10.500 3.122 -8.442 95 1HB TYR 14 1HB TYR 14 -11.139 4.231 -10.836 96 2HB TYR 14 2HB TYR 14 -11.228 5.660 -9.805 97 HD1 TYR 14 HD1 TYR 14 -9.035 2.698 -9.308 98 HD2 TYR 14 HD2 TYR 14 -9.255 6.827 -10.468 99 HE1 TYR 14 HE1 TYR 14 -6.558 2.837 -9.283 100 HE2 TYR 14 HE2 TYR 14 -6.779 6.967 -10.443 101 HH TYR 14 HH TYR 14 -4.855 5.494 -10.615 102 H GLU 15 H GLU 15 -13.163 5.526 -8.618 103 HA GLU 15 HA GLU 15 -12.407 7.052 -6.343 104 1HB GLU 15 1HB GLU 15 -15.065 6.439 -7.666 105 2HB GLU 15 2HB GLU 15 -14.876 7.667 -6.413 106 1HG GLU 15 1HG GLU 15 -13.188 8.822 -7.797 107 2HG GLU 15 2HG GLU 15 -13.383 7.599 -9.053 108 H GLU 16 H GLU 16 -14.946 4.518 -6.531 109 HA GLU 16 HA GLU 16 -15.668 4.321 -3.857 110 1HB GLU 16 1HB GLU 16 -15.262 2.281 -6.048 111 2HB GLU 16 2HB GLU 16 -15.922 1.816 -4.480 112 1HG GLU 16 1HG GLU 16 -17.635 3.675 -4.783 113 2HG GLU 16 2HG GLU 16 -17.073 3.804 -6.450 114 H PHE 17 H PHE 17 -12.990 2.489 -5.395 115 HA PHE 17 HA PHE 17 -11.990 1.174 -3.123 116 1HB PHE 17 1HB PHE 17 -11.275 0.860 -5.479 117 2HB PHE 17 2HB PHE 17 -10.476 2.432 -5.435 118 HD1 PHE 17 HD1 PHE 17 -10.409 -1.034 -4.166 119 HD2 PHE 17 HD2 PHE 17 -8.409 2.766 -4.204 120 HE1 PHE 17 HE1 PHE 17 -8.390 -2.087 -3.182 121 HE2 PHE 17 HE2 PHE 17 -6.390 1.714 -3.220 122 HZ PHE 17 HZ PHE 17 -6.381 -0.713 -2.710 123 H LEU 18 H LEU 18 -11.128 4.435 -4.329 124 HA LEU 18 HA LEU 18 -9.198 5.083 -2.346 125 1HB LEU 18 1HB LEU 18 -11.133 6.634 -4.068 126 2HB LEU 18 2HB LEU 18 -10.032 7.467 -2.969 127 HG LEU 18 HG LEU 18 -9.109 5.435 -5.015 128 1HD1 LEU 18 1HD1 LEU 18 -9.647 8.368 -5.225 129 2HD1 LEU 18 2HD1 LEU 18 -8.214 7.733 -6.033 130 3HD1 LEU 18 3HD1 LEU 18 -9.809 7.108 -6.449 131 1HD2 LEU 18 1HD2 LEU 18 -7.845 7.166 -2.956 132 2HD2 LEU 18 2HD2 LEU 18 -7.320 5.605 -3.589 133 3HD2 LEU 18 3HD2 LEU 18 -7.014 7.077 -4.509 134 H LYS 19 H LYS 19 -12.738 5.571 -2.367 135 HA LYS 19 HA LYS 19 -13.028 7.019 0.035 136 1HB LYS 19 1HB LYS 19 -14.698 4.915 -1.361 137 2HB LYS 19 2HB LYS 19 -15.291 5.803 0.044 138 1HG LYS 19 1HG LYS 19 -14.961 7.930 -1.125 139 2HG LYS 19 2HG LYS 19 -14.291 7.082 -2.518 140 1HD LYS 19 1HD LYS 19 -16.493 5.802 -2.639 141 2HD LYS 19 2HD LYS 19 -17.125 6.961 -1.470 142 1HE LYS 19 1HE LYS 19 -15.724 8.129 -3.823 143 2HE LYS 19 2HE LYS 19 -17.302 7.376 -4.134 144 1HZ LYS 19 1HZ LYS 19 -16.724 9.360 -1.995 145 2HZ LYS 19 2HZ LYS 19 -17.560 9.687 -3.438 146 3HZ LYS 19 3HZ LYS 19 -18.230 8.632 -2.292 147 H ALA 20 H ALA 20 -12.794 3.488 -0.446 148 HA ALA 20 HA ALA 20 -13.182 2.768 2.312 149 1HB ALA 20 1HB ALA 20 -11.774 1.426 -0.018 150 2HB ALA 20 2HB ALA 20 -12.167 0.616 1.498 151 3HB ALA 20 3HB ALA 20 -13.459 1.211 0.456 152 H LEU 21 H LEU 21 -10.323 3.656 0.417 153 HA LEU 21 HA LEU 21 -8.321 2.835 2.296 154 1HB LEU 21 1HB LEU 21 -8.430 3.872 -0.231 155 2HB LEU 21 2HB LEU 21 -7.863 5.274 0.678 156 HG LEU 21 HG LEU 21 -6.110 3.772 1.716 157 1HD1 LEU 21 1HD1 LEU 21 -7.164 1.899 -0.421 158 2HD1 LEU 21 2HD1 LEU 21 -5.618 1.681 0.399 159 3HD1 LEU 21 3HD1 LEU 21 -7.122 1.610 1.319 160 1HD2 LEU 21 1HD2 LEU 21 -6.189 4.272 -1.267 161 2HD2 LEU 21 2HD2 LEU 21 -5.392 5.240 -0.027 162 3HD2 LEU 21 3HD2 LEU 21 -4.751 3.655 -0.454 163 H ALA 22 H ALA 22 -10.588 5.446 2.349 164 HA ALA 22 HA ALA 22 -10.988 7.005 4.103 165 1HB ALA 22 1HB ALA 22 -9.627 4.987 5.270 166 2HB ALA 22 2HB ALA 22 -8.430 6.271 5.443 167 3HB ALA 22 3HB ALA 22 -10.040 6.468 6.134 168 H LEU 23 H LEU 23 -9.245 7.447 1.672 169 HA LEU 23 HA LEU 23 -7.076 9.215 2.469 170 1HB LEU 23 1HB LEU 23 -8.516 8.435 -0.054 171 2HB LEU 23 2HB LEU 23 -7.379 9.784 -0.083 172 HG LEU 23 HG LEU 23 -6.718 7.010 0.946 173 1HD1 LEU 23 1HD1 LEU 23 -6.560 8.275 -1.747 174 2HD1 LEU 23 2HD1 LEU 23 -5.176 7.308 -1.240 175 3HD1 LEU 23 3HD1 LEU 23 -6.781 6.580 -1.312 176 1HD2 LEU 23 1HD2 LEU 23 -5.185 9.584 0.598 177 2HD2 LEU 23 2HD2 LEU 23 -5.255 8.525 2.007 178 3HD2 LEU 23 3HD2 LEU 23 -4.350 8.030 0.577 179 HA PRO 24 HA PRO 24 -9.263 12.995 2.878 180 1HB PRO 24 1HB PRO 24 -7.569 14.782 1.682 181 2HB PRO 24 2HB PRO 24 -7.226 14.027 3.251 182 1HG PRO 24 1HG PRO 24 -6.164 13.355 0.555 183 2HG PRO 24 2HG PRO 24 -5.346 13.350 2.125 184 1HD PRO 24 1HD PRO 24 -6.245 11.093 0.874 185 2HD PRO 24 2HD PRO 24 -6.058 11.239 2.635 186 H GLU 25 H GLU 25 -10.853 14.117 1.738 187 HA GLU 25 HA GLU 25 -11.606 13.348 -0.889 188 1HB GLU 25 1HB GLU 25 -13.060 14.366 0.842 189 2HB GLU 25 2HB GLU 25 -12.195 15.893 0.660 190 1HG GLU 25 1HG GLU 25 -12.857 15.950 -1.740 191 2HG GLU 25 2HG GLU 25 -13.793 14.475 -1.493 192 H ASP 26 H ASP 26 -9.625 16.071 0.247 193 HA ASP 26 HA ASP 26 -9.457 17.522 -2.203 194 1HB ASP 26 1HB ASP 26 -7.620 17.158 0.178 195 2HB ASP 26 2HB ASP 26 -7.292 18.324 -1.104 196 H LEU 27 H LEU 27 -7.793 14.629 -1.074 197 HA LEU 27 HA LEU 27 -5.875 14.700 -3.332 198 1HB LEU 27 1HB LEU 27 -5.044 14.028 -1.175 199 2HB LEU 27 2HB LEU 27 -6.367 12.883 -0.958 200 HG LEU 27 HG LEU 27 -5.518 11.643 -2.986 201 1HD1 LEU 27 1HD1 LEU 27 -3.542 13.864 -2.819 202 2HD1 LEU 27 2HD1 LEU 27 -2.906 12.267 -3.215 203 3HD1 LEU 27 3HD1 LEU 27 -4.146 12.999 -4.233 204 1HD2 LEU 27 1HD2 LEU 27 -4.828 11.368 -0.400 205 2HD2 LEU 27 2HD2 LEU 27 -4.141 10.350 -1.666 206 3HD2 LEU 27 3HD2 LEU 27 -3.238 11.740 -1.067 207 H ILE 28 H ILE 28 -8.819 13.042 -2.332 208 HA ILE 28 HA ILE 28 -8.662 10.917 -4.310 209 HB ILE 28 HB ILE 28 -10.916 12.113 -2.666 210 1HG1 ILE 28 1HG1 ILE 28 -9.403 9.520 -2.265 211 2HG1 ILE 28 2HG1 ILE 28 -8.919 11.032 -1.495 212 1HG2 ILE 28 1HG2 ILE 28 -10.789 9.784 -4.557 213 2HG2 ILE 28 2HG2 ILE 28 -11.830 9.686 -3.136 214 3HG2 ILE 28 3HG2 ILE 28 -12.080 10.963 -4.327 215 1HD1 ILE 28 1HD1 ILE 28 -11.784 10.254 -1.249 216 2HD1 ILE 28 2HD1 ILE 28 -10.617 9.310 -0.321 217 3HD1 ILE 28 3HD1 ILE 28 -10.730 11.054 -0.081 218 H LYS 29 H LYS 29 -10.420 14.027 -4.118 219 HA LYS 29 HA LYS 29 -11.712 13.747 -6.692 220 1HB LYS 29 1HB LYS 29 -11.050 16.198 -5.025 221 2HB LYS 29 2HB LYS 29 -12.280 16.107 -6.286 222 1HG LYS 29 1HG LYS 29 -12.699 13.947 -4.448 223 2HG LYS 29 2HG LYS 29 -12.558 15.447 -3.531 224 1HD LYS 29 1HD LYS 29 -14.883 15.166 -4.146 225 2HD LYS 29 2HD LYS 29 -14.219 16.486 -5.111 226 1HE LYS 29 1HE LYS 29 -13.701 14.606 -6.868 227 2HE LYS 29 2HE LYS 29 -14.936 13.693 -5.980 228 1HZ LYS 29 1HZ LYS 29 -16.394 15.654 -6.148 229 2HZ LYS 29 2HZ LYS 29 -15.236 16.417 -7.130 230 3HZ LYS 29 3HZ LYS 29 -16.007 15.006 -7.670 231 H MET 30 H MET 30 -8.560 14.849 -5.654 232 HA MET 30 HA MET 30 -7.993 16.213 -8.217 233 1HB MET 30 1HB MET 30 -7.246 16.955 -5.899 234 2HB MET 30 2HB MET 30 -6.154 15.569 -5.894 235 1HG MET 30 1HG MET 30 -4.884 16.412 -7.698 236 2HG MET 30 2HG MET 30 -6.149 17.545 -8.172 237 1HE MET 30 1HE MET 30 -3.393 16.546 -5.838 238 2HE MET 30 2HE MET 30 -3.275 17.818 -4.614 239 3HE MET 30 3HE MET 30 -4.625 16.687 -4.586 240 H ALA 31 H ALA 31 -7.325 13.151 -6.601 241 HA ALA 31 HA ALA 31 -5.468 12.344 -8.790 242 1HB ALA 31 1HB ALA 31 -6.003 11.629 -5.962 243 2HB ALA 31 2HB ALA 31 -5.545 10.284 -7.007 244 3HB ALA 31 3HB ALA 31 -4.473 11.673 -6.838 245 H ARG 32 H ARG 32 -8.737 12.274 -8.188 246 HA ARG 32 HA ARG 32 -9.473 9.568 -8.812 247 1HB ARG 32 1HB ARG 32 -11.673 10.574 -9.157 248 2HB ARG 32 2HB ARG 32 -10.895 11.362 -7.783 249 1HG ARG 32 1HG ARG 32 -11.306 13.314 -8.846 250 2HG ARG 32 2HG ARG 32 -10.020 12.851 -9.960 251 1HD ARG 32 1HD ARG 32 -11.853 11.542 -11.241 252 2HD ARG 32 2HD ARG 32 -13.003 12.517 -10.305 253 HE ARG 32 HE ARG 32 -10.876 14.122 -11.482 254 1HH1 ARG 32 1HH1 ARG 32 -12.277 12.496 -13.685 255 2HH1 ARG 32 2HH1 ARG 32 -13.491 13.624 -14.191 256 1HH2 ARG 32 1HH2 ARG 32 -13.159 15.644 -11.393 257 2HH2 ARG 32 2HH2 ARG 32 -13.990 15.406 -12.894 258 H ASP 33 H ASP 33 -8.074 12.017 -10.742 259 HA ASP 33 HA ASP 33 -8.726 10.455 -13.210 260 1HB ASP 33 1HB ASP 33 -10.099 12.621 -12.728 261 2HB ASP 33 2HB ASP 33 -8.614 13.468 -13.160 262 H ILE 34 H ILE 34 -6.315 10.232 -11.750 263 HA ILE 34 HA ILE 34 -4.377 11.800 -13.420 264 HB ILE 34 HB ILE 34 -4.535 10.942 -10.576 265 1HG1 ILE 34 1HG1 ILE 34 -3.194 13.248 -12.026 266 2HG1 ILE 34 2HG1 ILE 34 -4.791 13.296 -11.280 267 1HG2 ILE 34 1HG2 ILE 34 -2.129 10.582 -12.286 268 2HG2 ILE 34 2HG2 ILE 34 -1.872 11.365 -10.727 269 3HG2 ILE 34 3HG2 ILE 34 -2.585 9.755 -10.797 270 1HD1 ILE 34 1HD1 ILE 34 -3.526 12.507 -9.128 271 2HD1 ILE 34 2HD1 ILE 34 -2.096 13.118 -9.958 272 3HD1 ILE 34 3HD1 ILE 34 -3.439 14.205 -9.598 273 H LYS 35 H LYS 35 -3.352 10.553 -14.931 274 HA LYS 35 HA LYS 35 -3.392 7.600 -14.671 275 1HB LYS 35 1HB LYS 35 -2.540 9.539 -16.847 276 2HB LYS 35 2HB LYS 35 -2.538 7.783 -17.029 277 1HG LYS 35 1HG LYS 35 -4.702 7.907 -17.637 278 2HG LYS 35 2HG LYS 35 -5.078 8.433 -15.995 279 1HD LYS 35 1HD LYS 35 -5.140 10.674 -16.577 280 2HD LYS 35 2HD LYS 35 -4.023 10.462 -17.925 281 1HE LYS 35 1HE LYS 35 -5.694 9.824 -19.388 282 2HE LYS 35 2HE LYS 35 -6.666 9.072 -18.107 283 1HZ LYS 35 1HZ LYS 35 -7.014 11.331 -17.186 284 2HZ LYS 35 2HZ LYS 35 -6.257 11.979 -18.563 285 3HZ LYS 35 3HZ LYS 35 -7.710 11.120 -18.721 286 HA PRO 36 HA PRO 36 0.837 8.559 -13.106 287 1HB PRO 36 1HB PRO 36 0.825 6.623 -11.171 288 2HB PRO 36 2HB PRO 36 0.169 8.252 -10.912 289 1HG PRO 36 1HG PRO 36 -1.257 5.707 -11.491 290 2HG PRO 36 2HG PRO 36 -1.715 7.039 -10.420 291 1HD PRO 36 1HD PRO 36 -2.780 6.656 -12.909 292 2HD PRO 36 2HD PRO 36 -2.673 8.241 -12.112 293 H ILE 37 H ILE 37 2.627 7.498 -13.943 294 HA ILE 37 HA ILE 37 2.181 4.969 -15.408 295 HB ILE 37 HB ILE 37 4.565 6.829 -15.125 296 1HG1 ILE 37 1HG1 ILE 37 2.968 6.620 -17.629 297 2HG1 ILE 37 2HG1 ILE 37 2.200 7.451 -16.275 298 1HG2 ILE 37 1HG2 ILE 37 4.993 4.404 -15.838 299 2HG2 ILE 37 2HG2 ILE 37 4.055 4.775 -17.284 300 3HG2 ILE 37 3HG2 ILE 37 5.547 5.654 -16.953 301 1HD1 ILE 37 1HD1 ILE 37 4.985 8.096 -17.279 302 2HD1 ILE 37 2HD1 ILE 37 3.537 8.966 -17.784 303 3HD1 ILE 37 3HD1 ILE 37 4.044 9.003 -16.095 304 H VAL 38 H VAL 38 3.530 3.085 -15.039 305 HA VAL 38 HA VAL 38 4.901 3.020 -12.372 306 HB VAL 38 HB VAL 38 2.946 1.070 -13.626 307 1HG1 VAL 38 1HG1 VAL 38 4.851 -0.099 -12.522 308 2HG1 VAL 38 2HG1 VAL 38 4.508 0.794 -11.041 309 3HG1 VAL 38 3HG1 VAL 38 3.325 -0.351 -11.673 310 1HG2 VAL 38 1HG2 VAL 38 2.918 2.882 -11.206 311 2HG2 VAL 38 2HG2 VAL 38 1.763 2.823 -12.538 312 3HG2 VAL 38 3HG2 VAL 38 1.812 1.516 -11.356 313 H GLU 39 H GLU 39 7.038 2.694 -12.908 314 HA GLU 39 HA GLU 39 7.731 1.035 -15.271 315 1HB GLU 39 1HB GLU 39 8.731 3.298 -14.767 316 2HB GLU 39 2HB GLU 39 9.483 2.585 -13.340 317 1HG GLU 39 1HG GLU 39 10.757 1.044 -14.691 318 2HG GLU 39 2HG GLU 39 9.879 1.516 -16.146 319 H ILE 40 H ILE 40 8.482 -1.048 -15.048 320 HA ILE 40 HA ILE 40 9.128 -2.002 -12.276 321 HB ILE 40 HB ILE 40 7.964 -3.492 -14.652 322 1HG1 ILE 40 1HG1 ILE 40 6.615 -2.537 -12.106 323 2HG1 ILE 40 2HG1 ILE 40 6.453 -1.748 -13.675 324 1HG2 ILE 40 1HG2 ILE 40 9.344 -4.601 -12.631 325 2HG2 ILE 40 2HG2 ILE 40 7.772 -4.469 -11.842 326 3HG2 ILE 40 3HG2 ILE 40 7.934 -5.384 -13.342 327 1HD1 ILE 40 1HD1 ILE 40 5.664 -3.996 -14.584 328 2HD1 ILE 40 2HD1 ILE 40 5.557 -4.533 -12.907 329 3HD1 ILE 40 3HD1 ILE 40 4.558 -3.193 -13.469 330 H GLN 41 H GLN 41 11.200 -2.751 -12.031 331 HA GLN 41 HA GLN 41 12.672 -3.693 -14.467 332 1HB GLN 41 1HB GLN 41 13.235 -1.348 -13.855 333 2HB GLN 41 2HB GLN 41 13.691 -1.896 -12.241 334 1HG GLN 41 1HG GLN 41 15.465 -3.283 -13.153 335 2HG GLN 41 2HG GLN 41 14.956 -2.913 -14.801 336 1HE2 GLN 41 2HE2 GLN 41 17.073 -1.919 -15.265 337 2HE2 GLN 41 1HE2 GLN 41 17.467 -0.391 -14.639 338 H GLN 42 H GLN 42 11.930 -5.816 -13.403 339 HA GLN 42 HA GLN 42 13.143 -6.575 -10.856 340 1HB GLN 42 1HB GLN 42 12.188 -8.796 -11.511 341 2HB GLN 42 2HB GLN 42 11.011 -7.488 -11.635 342 1HG GLN 42 1HG GLN 42 11.479 -7.304 -14.058 343 2HG GLN 42 2HG GLN 42 12.629 -8.635 -13.929 344 1HE2 GLN 42 2HE2 GLN 42 11.375 -10.090 -15.275 345 2HE2 GLN 42 1HE2 GLN 42 9.891 -10.734 -14.759 346 H LYS 43 H LYS 43 14.701 -8.419 -10.714 347 HA LYS 43 HA LYS 43 16.313 -9.015 -13.116 348 1HB LYS 43 1HB LYS 43 17.195 -7.294 -10.797 349 2HB LYS 43 2HB LYS 43 18.371 -8.168 -11.778 350 1HG LYS 43 1HG LYS 43 17.313 -7.093 -13.817 351 2HG LYS 43 2HG LYS 43 16.397 -6.071 -12.709 352 1HD LYS 43 1HD LYS 43 18.523 -5.272 -11.712 353 2HD LYS 43 2HD LYS 43 19.421 -6.258 -12.868 354 1HE LYS 43 1HE LYS 43 18.561 -4.978 -14.736 355 2HE LYS 43 2HE LYS 43 17.445 -4.094 -13.675 356 1HZ LYS 43 1HZ LYS 43 19.435 -3.401 -12.371 357 2HZ LYS 43 2HZ LYS 43 20.414 -4.052 -13.598 358 3HZ LYS 43 3HZ LYS 43 19.379 -2.753 -13.940 359 H GLY 44 H GLY 44 14.830 -10.809 -11.590 360 1HA GLY 44 1HA GLY 44 15.759 -13.077 -11.054 361 2HA GLY 44 2HA GLY 44 16.958 -12.252 -10.057 362 H ASP 45 H ASP 45 16.415 -11.704 -7.956 363 HA ASP 45 HA ASP 45 13.674 -12.517 -7.055 364 1HB ASP 45 1HB ASP 45 16.442 -12.553 -5.871 365 2HB ASP 45 2HB ASP 45 15.037 -12.568 -4.806 366 H ASP 46 H ASP 46 15.635 -9.807 -7.602 367 HA ASP 46 HA ASP 46 14.391 -8.194 -5.429 368 1HB ASP 46 1HB ASP 46 16.854 -8.156 -5.919 369 2HB ASP 46 2HB ASP 46 16.485 -7.493 -7.512 370 H PHE 47 H PHE 47 13.192 -6.264 -5.960 371 HA PHE 47 HA PHE 47 12.325 -6.013 -8.816 372 1HB PHE 47 1HB PHE 47 10.821 -6.779 -6.406 373 2HB PHE 47 2HB PHE 47 10.068 -5.467 -7.313 374 HD1 PHE 47 HD1 PHE 47 11.829 -8.715 -8.008 375 HD2 PHE 47 HD2 PHE 47 8.594 -6.070 -9.006 376 HE1 PHE 47 HE1 PHE 47 11.019 -10.342 -9.695 377 HE2 PHE 47 HE2 PHE 47 7.784 -7.697 -10.693 378 HZ PHE 47 HZ PHE 47 8.996 -9.833 -11.037 379 H VAL 48 H VAL 48 12.190 -3.880 -9.479 380 HA VAL 48 HA VAL 48 12.265 -1.754 -7.364 381 HB VAL 48 HB VAL 48 13.822 -1.900 -9.967 382 1HG1 VAL 48 1HG1 VAL 48 13.427 0.191 -7.872 383 2HG1 VAL 48 2HG1 VAL 48 15.042 0.021 -8.560 384 3HG1 VAL 48 3HG1 VAL 48 13.669 0.374 -9.609 385 1HG2 VAL 48 1HG2 VAL 48 14.440 -2.627 -7.132 386 2HG2 VAL 48 2HG2 VAL 48 14.986 -3.386 -8.627 387 3HG2 VAL 48 3HG2 VAL 48 15.717 -1.875 -8.088 388 H VAL 49 H VAL 49 10.294 -0.741 -7.606 389 HA VAL 49 HA VAL 49 9.315 -0.218 -10.393 390 HB VAL 49 HB VAL 49 7.103 0.036 -9.082 391 1HG1 VAL 49 1HG1 VAL 49 8.257 -2.093 -10.301 392 2HG1 VAL 49 2HG1 VAL 49 8.075 -2.738 -8.670 393 3HG1 VAL 49 3HG1 VAL 49 6.662 -2.160 -9.552 394 1HG2 VAL 49 1HG2 VAL 49 8.794 -0.044 -6.911 395 2HG2 VAL 49 2HG2 VAL 49 7.062 -0.368 -6.844 396 3HG2 VAL 49 3HG2 VAL 49 8.205 -1.704 -6.974 397 H THR 50 H THR 50 9.051 1.918 -10.993 398 HA THR 50 HA THR 50 9.384 4.002 -8.856 399 HB THR 50 HB THR 50 10.289 3.980 -11.756 400 HG1 THR 50 HG1 THR 50 12.056 3.180 -10.993 401 1HG2 THR 50 1HG2 THR 50 11.333 5.958 -9.809 402 2HG2 THR 50 2HG2 THR 50 10.941 6.155 -11.519 403 3HG2 THR 50 3HG2 THR 50 9.657 6.184 -10.311 404 H SER 51 H SER 51 7.166 4.500 -8.595 405 HA SER 51 HA SER 51 5.385 4.864 -10.884 406 1HB SER 51 1HB SER 51 5.175 5.532 -7.931 407 2HB SER 51 2HB SER 51 3.831 5.593 -9.068 408 HG SER 51 HG SER 51 3.790 3.463 -9.150 409 H LYS 52 H LYS 52 4.862 6.810 -11.878 410 HA LYS 52 HA LYS 52 6.024 9.320 -10.718 411 1HB LYS 52 1HB LYS 52 6.093 8.278 -13.568 412 2HB LYS 52 2HB LYS 52 6.592 9.906 -13.103 413 1HG LYS 52 1HG LYS 52 8.246 8.896 -11.521 414 2HG LYS 52 2HG LYS 52 7.807 7.302 -12.137 415 1HD LYS 52 1HD LYS 52 8.326 8.359 -14.480 416 2HD LYS 52 2HD LYS 52 9.239 9.540 -13.540 417 1HE LYS 52 1HE LYS 52 10.821 7.987 -12.867 418 2HE LYS 52 2HE LYS 52 9.671 6.637 -12.933 419 1HZ LYS 52 1HZ LYS 52 10.604 8.135 -15.320 420 2HZ LYS 52 2HZ LYS 52 11.284 6.665 -14.807 421 3HZ LYS 52 3HZ LYS 52 9.660 6.727 -15.302 422 H THR 53 H THR 53 4.266 10.596 -10.265 423 HA THR 53 HA THR 53 1.832 10.388 -11.972 424 HB THR 53 HB THR 53 1.578 12.189 -9.760 425 HG1 THR 53 HG1 THR 53 2.253 10.805 -8.105 426 1HG2 THR 53 1HG2 THR 53 0.618 9.406 -9.483 427 2HG2 THR 53 2HG2 THR 53 -0.277 10.922 -9.380 428 3HG2 THR 53 3HG2 THR 53 0.111 10.233 -10.957 429 HA PRO 54 HA PRO 54 2.436 14.312 -13.837 430 1HB PRO 54 1HB PRO 54 -0.059 15.432 -13.737 431 2HB PRO 54 2HB PRO 54 0.351 14.082 -14.815 432 1HG PRO 54 1HG PRO 54 -1.090 14.056 -12.213 433 2HG PRO 54 2HG PRO 54 -1.377 13.097 -13.673 434 1HD PRO 54 1HD PRO 54 -0.090 12.144 -11.457 435 2HD PRO 54 2HD PRO 54 0.177 11.523 -13.101 436 H ARG 55 H ARG 55 0.745 14.383 -10.717 437 HA ARG 55 HA ARG 55 1.536 17.204 -10.256 438 1HB ARG 55 1HB ARG 55 -0.727 16.304 -9.702 439 2HB ARG 55 2HB ARG 55 0.024 15.204 -8.545 440 1HG ARG 55 1HG ARG 55 1.115 17.493 -7.677 441 2HG ARG 55 2HG ARG 55 -0.362 18.155 -8.376 442 1HD ARG 55 1HD ARG 55 -1.714 17.148 -6.806 443 2HD ARG 55 2HD ARG 55 -0.665 15.722 -6.672 444 HE ARG 55 HE ARG 55 -0.250 18.306 -5.274 445 1HH1 ARG 55 1HH1 ARG 55 2.411 17.464 -6.133 446 2HH1 ARG 55 2HH1 ARG 55 2.911 16.367 -4.890 447 1HH2 ARG 55 1HH2 ARG 55 -0.294 15.887 -3.656 448 2HH2 ARG 55 2HH2 ARG 55 1.380 15.474 -3.488 449 H GLN 56 H GLN 56 2.554 13.972 -9.441 450 HA GLN 56 HA GLN 56 4.925 15.020 -8.056 451 1HB GLN 56 1HB GLN 56 3.715 15.066 -6.100 452 2HB GLN 56 2HB GLN 56 2.533 13.896 -6.688 453 1HG GLN 56 1HG GLN 56 4.229 12.093 -6.430 454 2HG GLN 56 2HG GLN 56 5.352 13.276 -5.757 455 1HE2 GLN 56 2HE2 GLN 56 4.507 14.476 -3.742 456 2HE2 GLN 56 1HE2 GLN 56 3.520 13.606 -2.668 457 H THR 57 H THR 57 6.442 13.221 -7.529 458 HA THR 57 HA THR 57 5.838 10.708 -9.055 459 HB THR 57 HB THR 57 8.398 10.882 -9.536 460 HG1 THR 57 HG1 THR 57 9.021 13.127 -9.578 461 1HG2 THR 57 1HG2 THR 57 6.968 13.090 -10.920 462 2HG2 THR 57 2HG2 THR 57 7.860 11.726 -11.597 463 3HG2 THR 57 3HG2 THR 57 6.218 11.495 -10.993 464 H VAL 58 H VAL 58 6.171 8.882 -7.839 465 HA VAL 58 HA VAL 58 7.951 9.094 -5.431 466 HB VAL 58 HB VAL 58 5.243 7.764 -5.769 467 1HG1 VAL 58 1HG1 VAL 58 7.240 7.721 -3.493 468 2HG1 VAL 58 2HG1 VAL 58 5.538 7.309 -3.281 469 3HG1 VAL 58 3HG1 VAL 58 6.554 6.340 -4.350 470 1HG2 VAL 58 1HG2 VAL 58 6.260 10.244 -4.413 471 2HG2 VAL 58 2HG2 VAL 58 4.792 10.016 -5.362 472 3HG2 VAL 58 3HG2 VAL 58 4.883 9.389 -3.717 473 H THR 59 H THR 59 9.577 7.600 -5.550 474 HA THR 59 HA THR 59 9.182 5.207 -7.309 475 HB THR 59 HB THR 59 10.977 6.922 -7.801 476 HG1 THR 59 HG1 THR 59 12.526 5.341 -8.172 477 1HG2 THR 59 1HG2 THR 59 12.349 5.781 -5.365 478 2HG2 THR 59 2HG2 THR 59 12.843 7.161 -6.345 479 3HG2 THR 59 3HG2 THR 59 11.424 7.282 -5.305 480 H ASN 60 H ASN 60 9.566 3.147 -6.438 481 HA ASN 60 HA ASN 60 10.457 2.987 -3.587 482 1HB ASN 60 1HB ASN 60 8.019 1.684 -4.844 483 2HB ASN 60 2HB ASN 60 8.560 1.439 -3.183 484 1HD2 ASN 60 2HD2 ASN 60 9.271 4.093 -2.478 485 2HD2 ASN 60 1HD2 ASN 60 7.878 5.063 -2.501 486 H SER 61 H SER 61 11.522 1.005 -3.084 487 HA SER 61 HA SER 61 11.848 -0.965 -5.307 488 1HB SER 61 1HB SER 61 13.676 0.666 -5.439 489 2HB SER 61 2HB SER 61 14.030 0.437 -3.729 490 HG SER 61 HG SER 61 15.397 -0.815 -5.080 491 H PHE 62 H PHE 62 11.838 -3.062 -4.539 492 HA PHE 62 HA PHE 62 12.534 -3.583 -1.694 493 1HB PHE 62 1HB PHE 62 10.368 -4.685 -1.334 494 2HB PHE 62 2HB PHE 62 10.108 -3.016 -1.844 495 HD1 PHE 62 HD1 PHE 62 10.235 -6.532 -3.081 496 HD2 PHE 62 HD2 PHE 62 8.924 -2.512 -3.835 497 HE1 PHE 62 HE1 PHE 62 8.913 -7.328 -5.022 498 HE2 PHE 62 HE2 PHE 62 7.601 -3.308 -5.777 499 HZ PHE 62 HZ PHE 62 7.596 -5.715 -6.370 500 H THR 63 H THR 63 12.602 -6.008 -1.302 501 HA THR 63 HA THR 63 13.402 -7.440 -3.815 502 HB THR 63 HB THR 63 14.319 -7.802 -0.942 503 HG1 THR 63 HG1 THR 63 15.893 -6.466 -1.416 504 1HG2 THR 63 1HG2 THR 63 16.244 -8.906 -2.477 505 2HG2 THR 63 2HG2 THR 63 14.880 -9.829 -1.846 506 3HG2 THR 63 3HG2 THR 63 14.842 -9.218 -3.500 507 H LEU 64 H LEU 64 12.639 -9.580 -4.085 508 HA LEU 64 HA LEU 64 10.171 -10.262 -2.675 509 1HB LEU 64 1HB LEU 64 11.895 -11.584 -4.789 510 2HB LEU 64 2HB LEU 64 10.371 -12.272 -4.227 511 HG LEU 64 HG LEU 64 10.415 -9.406 -5.099 512 1HD1 LEU 64 1HD1 LEU 64 10.677 -11.829 -6.859 513 2HD1 LEU 64 2HD1 LEU 64 9.734 -10.445 -7.416 514 3HD1 LEU 64 3HD1 LEU 64 11.442 -10.247 -7.023 515 1HD2 LEU 64 1HD2 LEU 64 8.456 -11.685 -4.926 516 2HD2 LEU 64 2HD2 LEU 64 8.320 -10.053 -4.272 517 3HD2 LEU 64 3HD2 LEU 64 8.129 -10.327 -6.003 518 H GLY 65 H GLY 65 10.132 -11.385 -0.770 519 1HA GLY 65 1HA GLY 65 10.685 -13.430 0.466 520 2HA GLY 65 2HA GLY 65 12.288 -13.387 -0.269 521 H LYS 66 H LYS 66 11.436 -10.267 0.543 522 HA LYS 66 HA LYS 66 12.443 -10.457 3.341 523 1HB LYS 66 1HB LYS 66 14.351 -10.248 1.714 524 2HB LYS 66 2HB LYS 66 13.666 -8.712 1.180 525 1HG LYS 66 1HG LYS 66 13.809 -7.878 3.532 526 2HG LYS 66 2HG LYS 66 14.614 -9.381 3.981 527 1HD LYS 66 1HD LYS 66 16.388 -8.897 2.297 528 2HD LYS 66 2HD LYS 66 15.607 -7.351 1.960 529 1HE LYS 66 1HE LYS 66 15.818 -6.897 4.502 530 2HE LYS 66 2HE LYS 66 16.982 -8.236 4.502 531 1HZ LYS 66 1HZ LYS 66 18.101 -7.130 2.606 532 2HZ LYS 66 2HZ LYS 66 17.075 -5.791 2.818 533 3HZ LYS 66 3HZ LYS 66 18.167 -6.223 4.042 534 H GLU 67 H GLU 67 11.896 -8.579 4.599 535 HA GLU 67 HA GLU 67 9.495 -7.186 3.763 536 1HB GLU 67 1HB GLU 67 10.089 -7.857 6.090 537 2HB GLU 67 2HB GLU 67 11.412 -6.691 6.064 538 1HG GLU 67 1HG GLU 67 9.792 -4.865 5.669 539 2HG GLU 67 2HG GLU 67 8.472 -6.034 5.719 540 H ALA 68 H ALA 68 9.361 -5.236 2.707 541 HA ALA 68 HA ALA 68 11.833 -3.540 2.564 542 1HB ALA 68 1HB ALA 68 11.184 -4.966 0.523 543 2HB ALA 68 2HB ALA 68 9.789 -3.899 0.363 544 3HB ALA 68 3HB ALA 68 11.420 -3.242 0.231 545 H ASP 69 H ASP 69 11.425 -1.255 2.482 546 HA ASP 69 HA ASP 69 8.867 -0.440 3.709 547 1HB ASP 69 1HB ASP 69 10.100 1.749 3.845 548 2HB ASP 69 2HB ASP 69 10.981 0.406 4.576 549 H ILE 70 H ILE 70 7.243 0.619 2.602 550 HA ILE 70 HA ILE 70 7.815 1.466 -0.221 551 HB ILE 70 HB ILE 70 5.521 -0.018 1.063 552 1HG1 ILE 70 1HG1 ILE 70 7.354 -1.353 0.133 553 2HG1 ILE 70 2HG1 ILE 70 5.923 -1.526 -0.883 554 1HG2 ILE 70 1HG2 ILE 70 4.612 1.884 -0.274 555 2HG2 ILE 70 2HG2 ILE 70 5.509 1.293 -1.672 556 3HG2 ILE 70 3HG2 ILE 70 4.219 0.314 -0.976 557 1HD1 ILE 70 1HD1 ILE 70 7.136 0.668 -2.003 558 2HD1 ILE 70 2HD1 ILE 70 8.527 -0.298 -1.505 559 3HD1 ILE 70 3HD1 ILE 70 7.318 -0.985 -2.591 560 H THR 71 H THR 71 6.942 3.470 -0.833 561 HA THR 71 HA THR 71 5.551 5.015 1.331 562 HB THR 71 HB THR 71 7.277 6.057 -0.932 563 HG1 THR 71 HG1 THR 71 8.849 6.224 0.811 564 1HG2 THR 71 1HG2 THR 71 6.740 7.357 1.730 565 2HG2 THR 71 2HG2 THR 71 7.250 8.107 0.218 566 3HG2 THR 71 3HG2 THR 71 5.595 7.526 0.400 567 H THR 72 H THR 72 3.571 5.885 0.787 568 HA THR 72 HA THR 72 2.486 5.328 -1.904 569 HB THR 72 HB THR 72 0.448 6.422 -0.635 570 HG1 THR 72 HG1 THR 72 2.045 5.639 1.553 571 1HG2 THR 72 1HG2 THR 72 0.243 4.195 0.692 572 2HG2 THR 72 2HG2 THR 72 0.334 4.116 -1.068 573 3HG2 THR 72 3HG2 THR 72 1.763 3.770 -0.094 574 H MET 73 H MET 73 1.431 7.062 -3.153 575 HA MET 73 HA MET 73 3.030 9.486 -3.292 576 1HB MET 73 1HB MET 73 0.518 8.459 -4.637 577 2HB MET 73 2HB MET 73 1.255 10.004 -5.064 578 1HG MET 73 1HG MET 73 3.389 8.825 -5.551 579 2HG MET 73 2HG MET 73 2.600 7.289 -5.196 580 1HE MET 73 1HE MET 73 0.060 7.010 -6.165 581 2HE MET 73 2HE MET 73 0.070 6.714 -7.902 582 3HE MET 73 3HE MET 73 1.265 5.929 -6.859 583 H ASP 74 H ASP 74 0.406 8.577 -1.347 584 HA ASP 74 HA ASP 74 -0.764 11.294 -1.168 585 1HB ASP 74 1HB ASP 74 -2.353 10.129 0.330 586 2HB ASP 74 2HB ASP 74 -2.165 9.252 -1.189 587 H GLY 75 H GLY 75 1.668 9.403 0.372 588 1HA GLY 75 1HA GLY 75 3.198 10.567 1.924 589 2HA GLY 75 2HA GLY 75 1.794 11.413 2.580 590 H LYS 76 H LYS 76 1.668 7.995 1.823 591 HA LYS 76 HA LYS 76 1.389 7.436 4.752 592 1HB LYS 76 1HB LYS 76 -0.032 6.725 2.330 593 2HB LYS 76 2HB LYS 76 0.490 5.270 3.180 594 1HG LYS 76 1HG LYS 76 -0.428 6.452 5.306 595 2HG LYS 76 2HG LYS 76 -1.291 7.487 4.169 596 1HD LYS 76 1HD LYS 76 -2.002 5.208 3.069 597 2HD LYS 76 2HD LYS 76 -1.601 4.540 4.652 598 1HE LYS 76 1HE LYS 76 -3.377 5.583 5.688 599 2HE LYS 76 2HE LYS 76 -3.293 7.003 4.624 600 1HZ LYS 76 1HZ LYS 76 -4.051 5.567 2.787 601 2HZ LYS 76 2HZ LYS 76 -4.263 4.290 3.889 602 3HZ LYS 76 3HZ LYS 76 -5.205 5.699 4.023 603 H LYS 77 H LYS 77 2.921 6.137 5.698 604 HA LYS 77 HA LYS 77 4.865 4.734 3.899 605 1HB LYS 77 1HB LYS 77 5.043 5.852 6.712 606 2HB LYS 77 2HB LYS 77 6.337 4.928 5.947 607 1HG LYS 77 1HG LYS 77 6.457 6.580 4.127 608 2HG LYS 77 2HG LYS 77 5.145 7.500 4.866 609 1HD LYS 77 1HD LYS 77 6.517 7.861 6.879 610 2HD LYS 77 2HD LYS 77 7.828 6.925 6.161 611 1HE LYS 77 1HE LYS 77 7.772 8.595 4.214 612 2HE LYS 77 2HE LYS 77 6.748 9.606 5.252 613 1HZ LYS 77 1HZ LYS 77 9.315 8.442 6.171 614 2HZ LYS 77 2HZ LYS 77 9.214 9.986 5.471 615 3HZ LYS 77 3HZ LYS 77 8.395 9.659 6.920 616 H LEU 78 H LEU 78 5.078 2.516 4.117 617 HA LEU 78 HA LEU 78 4.185 1.124 6.548 618 1HB LEU 78 1HB LEU 78 2.434 -0.142 5.334 619 2HB LEU 78 2HB LEU 78 2.091 1.588 5.319 620 HG LEU 78 HG LEU 78 3.776 0.768 3.074 621 1HD1 LEU 78 1HD1 LEU 78 1.485 -0.889 3.764 622 2HD1 LEU 78 2HD1 LEU 78 1.265 -0.111 2.197 623 3HD1 LEU 78 3HD1 LEU 78 2.683 -1.117 2.490 624 1HD2 LEU 78 1HD2 LEU 78 2.126 2.845 3.677 625 2HD2 LEU 78 2HD2 LEU 78 2.588 2.421 2.029 626 3HD2 LEU 78 3HD2 LEU 78 1.047 1.865 2.684 627 H LYS 79 H LYS 79 4.666 -1.230 6.386 628 HA LYS 79 HA LYS 79 6.859 -1.751 4.412 629 1HB LYS 79 1HB LYS 79 6.237 -3.128 7.042 630 2HB LYS 79 2HB LYS 79 7.735 -3.230 6.117 631 1HG LYS 79 1HG LYS 79 8.489 -1.514 7.375 632 2HG LYS 79 2HG LYS 79 7.359 -0.492 6.489 633 1HD LYS 79 1HD LYS 79 6.617 -0.076 8.634 634 2HD LYS 79 2HD LYS 79 5.638 -1.497 8.269 635 1HE LYS 79 1HE LYS 79 7.438 -2.928 9.304 636 2HE LYS 79 2HE LYS 79 8.250 -1.436 9.817 637 1HZ LYS 79 1HZ LYS 79 6.087 -0.753 10.816 638 2HZ LYS 79 2HZ LYS 79 5.500 -2.314 10.511 639 3HZ LYS 79 3HZ LYS 79 6.806 -2.093 11.575 640 H CYS 80 H CYS 80 6.944 -3.931 3.484 641 HA CYS 80 HA CYS 80 4.749 -5.810 3.843 642 1HB CYS 80 1HB CYS 80 3.778 -5.424 1.581 643 2HB CYS 80 2HB CYS 80 3.623 -4.003 2.613 644 HG CYS 80 HG CYS 80 5.921 -3.172 1.348 645 H THR 81 H THR 81 5.356 -7.812 3.000 646 HA THR 81 HA THR 81 8.007 -7.936 1.649 647 HB THR 81 HB THR 81 6.248 -10.100 2.850 648 HG1 THR 81 HG1 THR 81 6.851 -9.260 4.658 649 1HG2 THR 81 1HG2 THR 81 9.227 -10.084 2.315 650 2HG2 THR 81 2HG2 THR 81 8.244 -11.451 2.841 651 3HG2 THR 81 3HG2 THR 81 8.043 -10.794 1.216 652 H VAL 82 H VAL 82 7.632 -7.652 -0.565 653 HA VAL 82 HA VAL 82 5.317 -8.710 -1.950 654 HB VAL 82 HB VAL 82 8.032 -7.795 -2.957 655 1HG1 VAL 82 1HG1 VAL 82 5.348 -8.248 -4.261 656 2HG1 VAL 82 2HG1 VAL 82 6.522 -7.129 -4.953 657 3HG1 VAL 82 3HG1 VAL 82 6.930 -8.835 -4.772 658 1HG2 VAL 82 1HG2 VAL 82 5.789 -6.384 -1.727 659 2HG2 VAL 82 2HG2 VAL 82 7.403 -5.791 -2.116 660 3HG2 VAL 82 3HG2 VAL 82 6.140 -5.778 -3.345 661 H HIS 83 H HIS 83 5.131 -10.651 -3.086 662 HA HIS 83 HA HIS 83 7.531 -12.399 -3.344 663 1HB HIS 83 1HB HIS 83 6.255 -14.246 -2.285 664 2HB HIS 83 2HB HIS 83 6.453 -12.889 -1.177 665 HD1 HIS 83 HD1 HIS 83 4.354 -11.815 -0.286 666 HD2 HIS 83 HD2 HIS 83 3.580 -14.317 -3.529 667 HE1 HIS 83 HE1 HIS 83 1.835 -11.963 -0.491 668 H LEU 84 H LEU 84 7.247 -14.042 -4.985 669 HA LEU 84 HA LEU 84 5.087 -13.391 -6.936 670 1HB LEU 84 1HB LEU 84 7.827 -14.623 -7.001 671 2HB LEU 84 2HB LEU 84 6.704 -14.953 -8.321 672 HG LEU 84 HG LEU 84 7.192 -12.130 -7.389 673 1HD1 LEU 84 1HD1 LEU 84 9.398 -13.124 -7.913 674 2HD1 LEU 84 2HD1 LEU 84 8.781 -13.651 -9.479 675 3HD1 LEU 84 3HD1 LEU 84 8.929 -11.930 -9.123 676 1HD2 LEU 84 1HD2 LEU 84 5.382 -13.169 -9.120 677 2HD2 LEU 84 2HD2 LEU 84 6.056 -11.548 -9.294 678 3HD2 LEU 84 3HD2 LEU 84 6.728 -12.888 -10.224 679 H ALA 85 H ALA 85 3.386 -14.795 -7.124 680 HA ALA 85 HA ALA 85 3.813 -17.675 -6.444 681 1HB ALA 85 1HB ALA 85 2.814 -16.071 -4.605 682 2HB ALA 85 2HB ALA 85 1.341 -16.206 -5.565 683 3HB ALA 85 3HB ALA 85 2.078 -17.652 -4.873 684 H ASN 86 H ASN 86 2.466 -19.085 -7.653 685 HA ASN 86 HA ASN 86 1.184 -19.731 -9.532 686 1HB ASN 86 1HB ASN 86 -0.398 -18.503 -7.865 687 2HB ASN 86 2HB ASN 86 -0.344 -17.179 -9.030 688 1HD2 ASN 86 2HD2 ASN 86 -0.677 -20.779 -9.231 689 2HD2 ASN 86 1HD2 ASN 86 -1.967 -20.738 -10.331 690 H GLY 87 H GLY 87 3.366 -17.432 -9.702 691 1HA GLY 87 1HA GLY 87 4.390 -16.478 -11.614 692 2HA GLY 87 2HA GLY 87 3.021 -17.027 -12.581 693 H LYS 88 H LYS 88 3.195 -14.899 -9.711 694 HA LYS 88 HA LYS 88 2.540 -12.503 -11.225 695 1HB LYS 88 1HB LYS 88 0.213 -12.329 -10.483 696 2HB LYS 88 2HB LYS 88 0.437 -13.855 -11.341 697 1HG LYS 88 1HG LYS 88 -0.009 -15.082 -9.493 698 2HG LYS 88 2HG LYS 88 1.011 -14.065 -8.475 699 1HD LYS 88 1HD LYS 88 -0.745 -12.435 -8.213 700 2HD LYS 88 2HD LYS 88 -1.746 -13.242 -9.420 701 1HE LYS 88 1HE LYS 88 -1.970 -15.210 -7.974 702 2HE LYS 88 2HE LYS 88 -0.895 -14.469 -6.772 703 1HZ LYS 88 1HZ LYS 88 -3.371 -13.177 -7.779 704 2HZ LYS 88 2HZ LYS 88 -3.312 -14.091 -6.348 705 3HZ LYS 88 3HZ LYS 88 -2.398 -12.668 -6.483 706 H LEU 89 H LEU 89 3.058 -10.739 -9.952 707 HA LEU 89 HA LEU 89 4.185 -11.119 -7.323 708 1HB LEU 89 1HB LEU 89 4.683 -9.365 -9.135 709 2HB LEU 89 2HB LEU 89 3.233 -8.533 -8.572 710 HG LEU 89 HG LEU 89 5.122 -9.362 -6.448 711 1HD1 LEU 89 1HD1 LEU 89 6.673 -8.618 -8.233 712 2HD1 LEU 89 2HD1 LEU 89 5.780 -7.102 -8.363 713 3HD1 LEU 89 3HD1 LEU 89 6.653 -7.488 -6.880 714 1HD2 LEU 89 1HD2 LEU 89 3.452 -6.936 -7.138 715 2HD2 LEU 89 2HD2 LEU 89 3.229 -8.067 -5.802 716 3HD2 LEU 89 3HD2 LEU 89 4.584 -6.937 -5.785 717 H VAL 90 H VAL 90 3.285 -10.620 -5.292 718 HA VAL 90 HA VAL 90 0.539 -9.511 -5.150 719 HB VAL 90 HB VAL 90 1.365 -12.288 -4.250 720 1HG1 VAL 90 1HG1 VAL 90 -0.088 -11.108 -2.586 721 2HG1 VAL 90 2HG1 VAL 90 -1.289 -10.872 -3.856 722 3HG1 VAL 90 3HG1 VAL 90 -0.878 -12.502 -3.323 723 1HG2 VAL 90 1HG2 VAL 90 -0.509 -11.186 -6.350 724 2HG2 VAL 90 2HG2 VAL 90 0.800 -12.351 -6.555 725 3HG2 VAL 90 3HG2 VAL 90 -0.684 -12.827 -5.730 726 H THR 91 H THR 91 0.840 -7.931 -3.619 727 HA THR 91 HA THR 91 2.682 -8.483 -1.328 728 HB THR 91 HB THR 91 1.513 -5.934 -2.491 729 HG1 THR 91 HG1 THR 91 4.072 -7.144 -2.587 730 1HG2 THR 91 1HG2 THR 91 3.739 -6.137 -0.467 731 2HG2 THR 91 2HG2 THR 91 2.796 -4.719 -0.921 732 3HG2 THR 91 3HG2 THR 91 2.053 -6.003 0.031 733 H LYS 92 H LYS 92 1.306 -9.559 0.147 734 HA LYS 92 HA LYS 92 -1.348 -8.375 0.760 735 1HB LYS 92 1HB LYS 92 -1.596 -10.462 2.063 736 2HB LYS 92 2HB LYS 92 -1.046 -10.814 0.424 737 1HG LYS 92 1HG LYS 92 1.290 -10.924 1.246 738 2HG LYS 92 2HG LYS 92 0.714 -10.627 2.886 739 1HD LYS 92 1HD LYS 92 -0.694 -12.678 2.727 740 2HD LYS 92 2HD LYS 92 -0.004 -12.995 1.134 741 1HE LYS 92 1HE LYS 92 1.986 -13.722 2.007 742 2HE LYS 92 2HE LYS 92 1.970 -12.507 3.301 743 1HZ LYS 92 1HZ LYS 92 0.207 -14.897 3.164 744 2HZ LYS 92 2HZ LYS 92 1.562 -14.738 4.177 745 3HZ LYS 92 3HZ LYS 92 0.214 -13.734 4.403 746 H SER 93 H SER 93 -1.889 -7.770 2.967 747 HA SER 93 HA SER 93 0.385 -7.443 4.864 748 1HB SER 93 1HB SER 93 0.411 -5.404 3.593 749 2HB SER 93 2HB SER 93 -1.344 -5.271 3.653 750 HG SER 93 HG SER 93 -0.624 -3.943 5.230 751 H GLU 94 H GLU 94 -0.906 -5.921 6.773 752 HA GLU 94 HA GLU 94 -3.084 -7.765 7.643 753 1HB GLU 94 1HB GLU 94 -2.461 -7.091 9.839 754 2HB GLU 94 2HB GLU 94 -0.934 -7.197 8.961 755 1HG GLU 94 1HG GLU 94 -0.584 -4.948 9.044 756 2HG GLU 94 2HG GLU 94 -2.289 -4.576 8.784 757 H LYS 95 H LYS 95 -3.521 -5.582 5.652 758 HA LYS 95 HA LYS 95 -5.950 -4.474 6.749 759 1HB LYS 95 1HB LYS 95 -5.157 -2.130 6.920 760 2HB LYS 95 2HB LYS 95 -4.274 -3.184 8.025 761 1HG LYS 95 1HG LYS 95 -2.310 -2.834 6.956 762 2HG LYS 95 2HG LYS 95 -3.048 -3.038 5.367 763 1HD LYS 95 1HD LYS 95 -2.241 -0.759 5.534 764 2HD LYS 95 2HD LYS 95 -4.004 -0.724 5.588 765 1HE LYS 95 1HE LYS 95 -3.553 -0.928 8.224 766 2HE LYS 95 2HE LYS 95 -2.038 -0.129 7.755 767 1HZ LYS 95 1HZ LYS 95 -4.738 0.759 6.889 768 2HZ LYS 95 2HZ LYS 95 -3.878 1.453 8.179 769 3HZ LYS 95 3HZ LYS 95 -3.264 1.553 6.601 770 H PHE 96 H PHE 96 -4.013 -5.321 4.234 771 HA PHE 96 HA PHE 96 -5.838 -4.451 2.196 772 1HB PHE 96 1HB PHE 96 -4.602 -2.612 1.251 773 2HB PHE 96 2HB PHE 96 -4.738 -2.288 2.979 774 HD1 PHE 96 HD1 PHE 96 -2.486 -4.392 0.826 775 HD2 PHE 96 HD2 PHE 96 -2.794 -1.402 3.894 776 HE1 PHE 96 HE1 PHE 96 -0.014 -4.326 1.009 777 HE2 PHE 96 HE2 PHE 96 -0.322 -1.336 4.079 778 HZ PHE 96 HZ PHE 96 1.068 -2.798 2.635 779 H SER 97 H SER 97 -5.318 -5.461 0.216 780 HA SER 97 HA SER 97 -2.738 -6.997 0.169 781 1HB SER 97 1HB SER 97 -5.557 -7.747 -0.075 782 2HB SER 97 2HB SER 97 -4.588 -8.340 -1.421 783 HG SER 97 HG SER 97 -3.809 -9.762 -0.101 784 H HIS 98 H HIS 98 -1.910 -7.408 -2.036 785 HA HIS 98 HA HIS 98 -3.029 -5.666 -4.181 786 1HB HIS 98 1HB HIS 98 -1.334 -4.408 -2.837 787 2HB HIS 98 2HB HIS 98 -0.144 -5.648 -3.235 788 HD2 HIS 98 HD2 HIS 98 -1.457 -2.378 -4.734 789 HE1 HIS 98 HE1 HIS 98 0.422 -4.431 -7.924 790 HE2 HIS 98 HE2 HIS 98 -0.561 -2.241 -7.162 791 H GLU 99 H GLU 99 -2.703 -6.551 -6.234 792 HA GLU 99 HA GLU 99 -0.703 -8.681 -6.650 793 1HB GLU 99 1HB GLU 99 -2.358 -10.381 -7.136 794 2HB GLU 99 2HB GLU 99 -2.743 -9.701 -5.554 795 1HG GLU 99 1HG GLU 99 -4.475 -8.307 -6.500 796 2HG GLU 99 2HG GLU 99 -4.003 -8.750 -8.141 797 H GLN 100 H GLN 100 0.080 -8.330 -8.690 798 HA GLN 100 HA GLN 100 -1.790 -7.212 -10.753 799 1HB GLN 100 1HB GLN 100 -0.301 -5.477 -9.939 800 2HB GLN 100 2HB GLN 100 1.098 -6.536 -10.117 801 1HG GLN 100 1HG GLN 100 0.673 -6.637 -12.570 802 2HG GLN 100 2HG GLN 100 -0.653 -5.492 -12.361 803 1HE2 GLN 100 2HE2 GLN 100 0.998 -4.126 -10.137 804 2HE2 GLN 100 1HE2 GLN 100 2.120 -3.178 -10.989 805 H GLU 101 H GLU 101 -1.081 -7.740 -13.002 806 HA GLU 101 HA GLU 101 0.868 -9.951 -13.300 807 1HB GLU 101 1HB GLU 101 -2.114 -10.167 -13.419 808 2HB GLU 101 2HB GLU 101 -1.176 -11.125 -14.566 809 1HG GLU 101 1HG GLU 101 0.140 -12.061 -12.682 810 2HG GLU 101 2HG GLU 101 -0.853 -11.143 -11.551 811 H VAL 102 H VAL 102 1.400 -10.317 -15.566 812 HA VAL 102 HA VAL 102 0.497 -8.095 -17.373 813 HB VAL 102 HB VAL 102 2.867 -8.061 -16.521 814 1HG1 VAL 102 1HG1 VAL 102 3.109 -10.551 -16.443 815 2HG1 VAL 102 2HG1 VAL 102 3.129 -10.569 -18.206 816 3HG1 VAL 102 3HG1 VAL 102 4.421 -9.762 -17.319 817 1HG2 VAL 102 1HG2 VAL 102 2.269 -7.026 -18.684 818 2HG2 VAL 102 2HG2 VAL 102 3.887 -7.725 -18.748 819 3HG2 VAL 102 3HG2 VAL 102 2.531 -8.569 -19.495 820 H LYS 103 H LYS 103 -0.208 -8.696 -19.426 821 HA LYS 103 HA LYS 103 0.091 -11.569 -20.218 822 1HB LYS 103 1HB LYS 103 -2.365 -9.848 -19.916 823 2HB LYS 103 2HB LYS 103 -2.366 -11.203 -21.045 824 1HG LYS 103 1HG LYS 103 -1.631 -12.698 -19.175 825 2HG LYS 103 2HG LYS 103 -1.804 -11.334 -18.069 826 1HD LYS 103 1HD LYS 103 -4.170 -11.165 -18.540 827 2HD LYS 103 2HD LYS 103 -4.047 -12.370 -19.822 828 1HE LYS 103 1HE LYS 103 -3.039 -13.244 -17.170 829 2HE LYS 103 2HE LYS 103 -4.793 -13.003 -17.288 830 1HZ LYS 103 1HZ LYS 103 -3.200 -14.493 -19.302 831 2HZ LYS 103 2HZ LYS 103 -4.016 -15.246 -18.020 832 3HZ LYS 103 3HZ LYS 103 -4.893 -14.391 -19.197 833 H GLY 104 H GLY 104 1.555 -11.107 -21.910 834 1HA GLY 104 1HA GLY 104 2.012 -10.623 -24.178 835 2HA GLY 104 2HA GLY 104 0.390 -9.946 -24.322 836 H ASN 105 H ASN 105 0.247 -7.756 -24.454 837 HA ASN 105 HA ASN 105 2.658 -6.159 -23.653 838 1HB ASN 105 1HB ASN 105 1.983 -4.655 -25.472 839 2HB ASN 105 2HB ASN 105 2.101 -6.306 -26.084 840 1HD2 ASN 105 2HD2 ASN 105 0.198 -3.704 -26.478 841 2HD2 ASN 105 1HD2 ASN 105 -1.319 -4.441 -26.667 842 H GLU 106 H GLU 106 -0.166 -6.953 -22.361 843 HA GLU 106 HA GLU 106 -0.865 -4.156 -21.523 844 1HB GLU 106 1HB GLU 106 -2.475 -6.695 -21.885 845 2HB GLU 106 2HB GLU 106 -3.113 -5.287 -21.034 846 1HG GLU 106 1HG GLU 106 -2.859 -3.899 -22.997 847 2HG GLU 106 2HG GLU 106 -2.005 -5.184 -23.851 848 H MET 107 H MET 107 -1.549 -3.956 -19.240 849 HA MET 107 HA MET 107 -0.507 -6.143 -17.473 850 1HB MET 107 1HB MET 107 1.162 -4.388 -17.643 851 2HB MET 107 2HB MET 107 -0.055 -3.146 -17.349 852 1HG MET 107 1HG MET 107 1.058 -3.468 -15.260 853 2HG MET 107 2HG MET 107 -0.493 -4.295 -15.111 854 1HE MET 107 1HE MET 107 2.951 -4.096 -15.124 855 2HE MET 107 2HE MET 107 3.530 -5.580 -14.370 856 3HE MET 107 3HE MET 107 3.524 -5.436 -16.126 857 H VAL 108 H VAL 108 -1.837 -6.585 -15.720 858 HA VAL 108 HA VAL 108 -4.167 -4.745 -15.274 859 HB VAL 108 HB VAL 108 -3.987 -7.773 -15.128 860 1HG1 VAL 108 1HG1 VAL 108 -6.164 -5.786 -14.512 861 2HG1 VAL 108 2HG1 VAL 108 -6.571 -7.412 -15.058 862 3HG1 VAL 108 3HG1 VAL 108 -5.647 -7.186 -13.573 863 1HG2 VAL 108 1HG2 VAL 108 -5.184 -5.857 -17.146 864 2HG2 VAL 108 2HG2 VAL 108 -3.953 -7.087 -17.429 865 3HG2 VAL 108 3HG2 VAL 108 -5.613 -7.566 -17.080 866 H GLU 109 H GLU 109 -4.403 -4.067 -13.168 867 HA GLU 109 HA GLU 109 -2.762 -5.455 -11.072 868 1HB GLU 109 1HB GLU 109 -3.514 -2.569 -11.582 869 2HB GLU 109 2HB GLU 109 -2.888 -3.102 -10.021 870 1HG GLU 109 1HG GLU 109 -0.833 -3.866 -11.017 871 2HG GLU 109 2HG GLU 109 -1.468 -3.621 -12.644 872 H THR 110 H THR 110 -3.926 -6.308 -9.385 873 HA THR 110 HA THR 110 -6.757 -5.373 -9.020 874 HB THR 110 HB THR 110 -5.667 -8.134 -8.433 875 HG1 THR 110 HG1 THR 110 -5.442 -8.258 -10.516 876 1HG2 THR 110 1HG2 THR 110 -8.464 -7.334 -9.224 877 2HG2 THR 110 2HG2 THR 110 -7.934 -8.790 -8.381 878 3HG2 THR 110 3HG2 THR 110 -7.923 -7.236 -7.548 879 H ILE 111 H ILE 111 -7.072 -4.468 -7.027 880 HA ILE 111 HA ILE 111 -5.359 -5.407 -4.751 881 HB ILE 111 HB ILE 111 -6.212 -2.586 -5.484 882 1HG1 ILE 111 1HG1 ILE 111 -3.455 -3.854 -5.421 883 2HG1 ILE 111 2HG1 ILE 111 -4.395 -3.601 -6.891 884 1HG2 ILE 111 1HG2 ILE 111 -6.078 -3.059 -3.021 885 2HG2 ILE 111 2HG2 ILE 111 -4.396 -3.537 -3.250 886 3HG2 ILE 111 3HG2 ILE 111 -4.893 -1.876 -3.573 887 1HD1 ILE 111 1HD1 ILE 111 -4.474 -1.166 -6.393 888 2HD1 ILE 111 2HD1 ILE 111 -3.460 -1.444 -4.977 889 3HD1 ILE 111 3HD1 ILE 111 -2.822 -1.750 -6.593 890 H THR 112 H THR 112 -6.512 -5.820 -2.876 891 HA THR 112 HA THR 112 -9.438 -5.163 -2.907 892 HB THR 112 HB THR 112 -9.461 -7.158 -1.283 893 HG1 THR 112 HG1 THR 112 -7.651 -8.264 -1.045 894 1HG2 THR 112 1HG2 THR 112 -8.839 -8.749 -3.330 895 2HG2 THR 112 2HG2 THR 112 -10.292 -7.749 -3.352 896 3HG2 THR 112 3HG2 THR 112 -8.842 -7.216 -4.203 897 H PHE 113 H PHE 113 -10.097 -3.726 -1.358 898 HA PHE 113 HA PHE 113 -8.666 -3.607 1.244 899 1HB PHE 113 1HB PHE 113 -7.600 -2.058 -0.466 900 2HB PHE 113 2HB PHE 113 -9.123 -1.170 -0.500 901 HD1 PHE 113 HD1 PHE 113 -10.021 -0.186 1.665 902 HD2 PHE 113 HD2 PHE 113 -6.031 -1.733 1.287 903 HE1 PHE 113 HE1 PHE 113 -9.347 1.052 3.705 904 HE2 PHE 113 HE2 PHE 113 -5.358 -0.495 3.328 905 HZ PHE 113 HZ PHE 113 -7.016 0.898 4.537 906 H GLY 114 H GLY 114 -10.176 -3.376 2.851 907 1HA GLY 114 1HA GLY 114 -12.214 -2.905 3.914 908 2HA GLY 114 2HA GLY 114 -12.425 -1.619 2.726 909 H GLY 115 H GLY 115 -12.103 -5.095 2.080 910 1HA GLY 115 1HA GLY 115 -13.623 -6.610 1.120 911 2HA GLY 115 2HA GLY 115 -14.922 -5.552 1.678 912 H VAL 116 H VAL 116 -12.721 -3.753 -0.097 913 HA VAL 116 HA VAL 116 -14.479 -3.926 -2.517 914 HB VAL 116 HB VAL 116 -12.674 -1.727 -1.457 915 1HG1 VAL 116 1HG1 VAL 116 -13.003 -1.759 -3.946 916 2HG1 VAL 116 2HG1 VAL 116 -14.741 -1.644 -3.674 917 3HG1 VAL 116 3HG1 VAL 116 -13.681 -0.329 -3.169 918 1HG2 VAL 116 1HG2 VAL 116 -15.606 -2.344 -1.202 919 2HG2 VAL 116 2HG2 VAL 116 -14.480 -1.771 0.028 920 3HG2 VAL 116 3HG2 VAL 116 -15.071 -0.664 -1.210 921 H THR 117 H THR 117 -13.510 -4.275 -4.533 922 HA THR 117 HA THR 117 -10.549 -4.768 -4.517 923 HB THR 117 HB THR 117 -12.747 -6.042 -6.179 924 HG1 THR 117 HG1 THR 117 -12.392 -7.812 -4.807 925 1HG2 THR 117 1HG2 THR 117 -10.071 -7.283 -5.811 926 2HG2 THR 117 2HG2 THR 117 -11.128 -7.282 -7.223 927 3HG2 THR 117 3HG2 THR 117 -10.147 -5.864 -6.856 928 H LEU 118 H LEU 118 -9.389 -3.519 -5.937 929 HA LEU 118 HA LEU 118 -10.912 -1.929 -7.967 930 1HB LEU 118 1HB LEU 118 -9.734 -0.632 -6.281 931 2HB LEU 118 2HB LEU 118 -8.249 -1.541 -6.565 932 HG LEU 118 HG LEU 118 -8.139 -0.680 -8.863 933 1HD1 LEU 118 1HD1 LEU 118 -10.654 -0.474 -9.089 934 2HD1 LEU 118 2HD1 LEU 118 -10.549 1.009 -8.140 935 3HD1 LEU 118 3HD1 LEU 118 -9.746 0.906 -9.707 936 1HD2 LEU 118 1HD2 LEU 118 -7.482 0.678 -6.630 937 2HD2 LEU 118 2HD2 LEU 118 -7.239 1.346 -8.243 938 3HD2 LEU 118 3HD2 LEU 118 -8.658 1.807 -7.303 939 H ILE 119 H ILE 119 -10.191 -1.944 -10.136 940 HA ILE 119 HA ILE 119 -7.997 -3.888 -10.783 941 HB ILE 119 HB ILE 119 -10.679 -3.407 -12.121 942 1HG1 ILE 119 1HG1 ILE 119 -9.546 -5.908 -10.835 943 2HG1 ILE 119 2HG1 ILE 119 -10.613 -4.780 -9.997 944 1HG2 ILE 119 1HG2 ILE 119 -8.260 -5.016 -12.936 945 2HG2 ILE 119 2HG2 ILE 119 -9.876 -5.449 -13.493 946 3HG2 ILE 119 3HG2 ILE 119 -9.194 -3.874 -13.903 947 1HD1 ILE 119 1HD1 ILE 119 -11.399 -5.948 -12.662 948 2HD1 ILE 119 2HD1 ILE 119 -11.686 -6.839 -11.167 949 3HD1 ILE 119 3HD1 ILE 119 -12.434 -5.260 -11.410 950 H ARG 120 H ARG 120 -6.342 -2.685 -11.644 951 HA ARG 120 HA ARG 120 -7.041 -0.318 -13.344 952 1HB ARG 120 1HB ARG 120 -5.719 -0.036 -11.207 953 2HB ARG 120 2HB ARG 120 -4.443 -1.009 -11.939 954 1HG ARG 120 1HG ARG 120 -4.004 0.606 -13.607 955 2HG ARG 120 2HG ARG 120 -5.542 1.428 -13.337 956 1HD ARG 120 1HD ARG 120 -3.722 2.745 -12.336 957 2HD ARG 120 2HD ARG 120 -4.730 2.070 -11.041 958 HE ARG 120 HE ARG 120 -2.853 0.095 -11.449 959 1HH1 ARG 120 1HH1 ARG 120 -3.128 2.858 -9.645 960 2HH1 ARG 120 2HH1 ARG 120 -1.432 3.094 -9.383 961 1HH2 ARG 120 1HH2 ARG 120 -0.472 0.661 -11.660 962 2HH2 ARG 120 2HH2 ARG 120 0.072 1.850 -10.523 963 H ARG 121 H ARG 121 -6.582 -0.506 -15.504 964 HA ARG 121 HA ARG 121 -4.882 -2.799 -16.392 965 1HB ARG 121 1HB ARG 121 -7.220 -1.264 -17.422 966 2HB ARG 121 2HB ARG 121 -6.090 -1.885 -18.625 967 1HG ARG 121 1HG ARG 121 -6.291 -4.147 -17.600 968 2HG ARG 121 2HG ARG 121 -7.499 -3.506 -16.485 969 1HD ARG 121 1HD ARG 121 -8.937 -2.872 -18.403 970 2HD ARG 121 2HD ARG 121 -7.732 -3.550 -19.517 971 HE ARG 121 HE ARG 121 -8.210 -5.580 -17.662 972 1HH1 ARG 121 1HH1 ARG 121 -8.894 -5.587 -20.662 973 2HH1 ARG 121 2HH1 ARG 121 -10.582 -5.975 -20.603 974 1HH2 ARG 121 1HH2 ARG 121 -10.900 -5.261 -17.225 975 2HH2 ARG 121 2HH2 ARG 121 -11.717 -5.791 -18.658 976 H SER 122 H SER 122 -2.870 -2.329 -17.187 977 HA SER 122 HA SER 122 -2.347 0.471 -18.138 978 1HB SER 122 1HB SER 122 -0.574 -1.478 -16.632 979 2HB SER 122 2HB SER 122 -0.065 0.110 -17.198 980 HG SER 122 HG SER 122 -0.764 0.159 -15.021 981 H LYS 123 H LYS 123 -0.816 0.635 -19.907 982 HA LYS 123 HA LYS 123 -0.471 -1.924 -21.440 983 1HB LYS 123 1HB LYS 123 -2.069 -0.068 -22.239 984 2HB LYS 123 2HB LYS 123 -0.616 0.881 -22.560 985 1HG LYS 123 1HG LYS 123 0.230 -0.875 -24.050 986 2HG LYS 123 2HG LYS 123 -1.186 -1.870 -23.703 987 1HD LYS 123 1HD LYS 123 -2.651 -0.132 -24.655 988 2HD LYS 123 2HD LYS 123 -1.242 0.874 -24.996 989 1HE LYS 123 1HE LYS 123 -0.663 -0.355 -26.836 990 2HE LYS 123 2HE LYS 123 -1.088 -1.892 -26.056 991 1HZ LYS 123 1HZ LYS 123 -3.033 0.137 -27.025 992 2HZ LYS 123 2HZ LYS 123 -2.665 -1.321 -27.818 993 3HZ LYS 123 3HZ LYS 123 -3.422 -1.345 -26.298 994 H ARG 124 H ARG 124 1.505 -1.989 -22.797 995 HA ARG 124 HA ARG 124 3.812 -0.783 -21.399 996 1HB ARG 124 1HB ARG 124 3.677 -3.184 -22.080 997 2HB ARG 124 2HB ARG 124 3.624 -2.672 -23.769 998 1HG ARG 124 1HG ARG 124 5.818 -1.561 -23.495 999 2HG ARG 124 2HG ARG 124 5.876 -2.103 -21.817 1000 1HD ARG 124 1HD ARG 124 7.161 -3.697 -23.098 1001 2HD ARG 124 2HD ARG 124 5.616 -4.490 -22.729 1002 HE ARG 124 HE ARG 124 4.904 -3.472 -25.041 1003 1HH1 ARG 124 1HH1 ARG 124 6.657 -6.073 -24.770 1004 2HH1 ARG 124 2HH1 ARG 124 7.733 -5.828 -26.106 1005 1HH2 ARG 124 1HH2 ARG 124 6.892 -2.488 -26.511 1006 2HH2 ARG 124 2HH2 ARG 124 7.866 -3.798 -27.092 1007 H VAL 125 HN VAL 125 5.073 0.858 -22.263 1008 HA VAL 125 HA VAL 125 4.212 1.973 -24.908 1009 HB VAL 125 HB VAL 125 5.134 4.089 -23.965 1010 1HG1 VAL 125 1HG1 VAL 125 3.084 2.531 -22.386 1011 2HG1 VAL 125 2HG1 VAL 125 3.470 4.207 -21.999 1012 3HG1 VAL 125 3HG1 VAL 125 2.812 3.798 -23.583 1013 1HG2 VAL 125 1HG2 VAL 125 6.649 2.501 -22.382 1014 2HG2 VAL 125 2HG2 VAL 125 6.277 4.177 -21.976 1015 3HG2 VAL 125 3HG2 VAL 125 5.337 2.866 -21.261 1016 1H1 JN3 130 1H1 JN3 130 -4.051 1.227 -6.876 1017 2H1 JN3 130 2H1 JN3 130 -3.682 2.700 -7.835 1018 1H2 JN3 130 1H2 JN3 130 -1.386 2.607 -7.119 1019 2H2 JN3 130 2H2 JN3 130 -1.892 1.075 -7.931 1020 H3 JN3 130 H3 JN3 130 -2.272 -0.015 -5.643 1021 HO3 JN3 130 HO3 JN3 130 0.176 0.771 -4.829 1022 1H4 JN3 130 1H4 JN3 130 -1.299 2.646 -4.504 1023 2H4 JN3 130 2H4 JN3 130 -1.692 1.199 -3.557 1024 H5 JN3 130 H5 JN3 130 -4.133 1.333 -4.442 1025 1H6 JN3 130 1H6 JN3 130 -3.611 2.484 -2.269 1026 2H6 JN3 130 2H6 JN3 130 -4.878 3.288 -3.182 1027 H7 JN3 130 H7 JN3 130 -3.242 4.911 -2.225 1028 HO7 JN3 130 HO7 JN3 130 -1.203 4.276 -2.240 1029 H8 JN3 130 H8 JN3 130 -4.432 5.487 -4.302 1030 H9 JN3 130 H9 JN3 130 -1.879 4.255 -5.719 1031 1H11 JN3 130 1H11 JN3 130 -4.365 5.607 -6.960 1032 2H11 JN3 130 2H11 JN3 130 -3.088 4.822 -7.891 1033 1H12 JN3 130 1H12 JN3 130 -2.667 7.262 -7.845 1034 2H12 JN3 130 2H12 JN3 130 -1.409 6.467 -6.896 1035 H14 JN3 130 H14 JN3 130 -1.464 6.476 -4.374 1036 1H15 JN3 130 1H15 JN3 130 -2.267 7.352 -2.316 1037 2H15 JN3 130 2H15 JN3 130 -3.875 7.664 -2.962 1038 1H16 JN3 130 1H16 JN3 130 -1.427 9.282 -3.239 1039 2H16 JN3 130 2H16 JN3 130 -3.121 9.718 -3.668 1040 H17 JN3 130 H17 JN3 130 -0.935 8.542 -5.483 1041 1H18 JN3 130 1H18 JN3 130 -4.732 8.535 -4.831 1042 2H18 JN3 130 2H18 JN3 130 -4.740 8.476 -6.610 1043 3H18 JN3 130 3H18 JN3 130 -5.073 7.003 -5.670 1044 1H19 JN3 130 1H19 JN3 130 -5.627 3.872 -4.968 1045 2H19 JN3 130 2H19 JN3 130 -5.578 3.762 -6.743 1046 3H19 JN3 130 3H19 JN3 130 -5.865 2.301 -5.769 1047 H20 JN3 130 H20 JN3 130 -3.094 10.588 -5.962 1048 1H21 JN3 130 1H21 JN3 130 -2.302 10.980 -8.164 1049 2H21 JN3 130 2H21 JN3 130 -1.267 9.536 -8.068 1050 3H21 JN3 130 3H21 JN3 130 -3.038 9.368 -8.005 1051 1H22 JN3 130 1H22 JN3 130 -0.247 11.079 -6.654 1052 2H22 JN3 130 2H22 JN3 130 -0.594 10.824 -4.909 1053 1H23 JN3 130 1H23 JN3 130 -2.477 12.711 -5.528 1054 2H23 JN3 130 2H23 JN3 130 -1.216 13.164 -6.646 1055 1H1 JN3 131 1H1 JN3 131 5.310 -4.692 -5.131 1056 2H1 JN3 131 2H1 JN3 131 3.750 -4.952 -4.281 1057 1H2 JN3 131 1H2 JN3 131 2.580 -3.817 -6.053 1058 2H2 JN3 131 2H2 JN3 131 3.541 -5.214 -6.677 1059 H3 JN3 131 H3 JN3 131 5.415 -3.614 -7.380 1060 HO3 JN3 131 HO3 JN3 131 3.823 -2.065 -8.762 1061 1H4 JN3 131 1H4 JN3 131 3.574 -1.413 -6.337 1062 2H4 JN3 131 2H4 JN3 131 5.130 -1.160 -7.150 1063 H5 JN3 131 H5 JN3 131 6.299 -2.465 -5.230 1064 1H6 JN3 131 1H6 JN3 131 6.127 0.033 -5.012 1065 2H6 JN3 131 2H6 JN3 131 6.089 -0.793 -3.462 1066 H7 JN3 131 H7 JN3 131 4.383 1.023 -3.595 1067 HO7 JN3 131 HO7 JN3 131 3.463 1.235 -5.518 1068 H8 JN3 131 H8 JN3 131 3.955 -0.925 -2.149 1069 H9 JN3 131 H9 JN3 131 2.452 -2.071 -4.691 1070 1H11 JN3 131 1H11 JN3 131 2.743 -3.275 -1.860 1071 2H11 JN3 131 2H11 JN3 131 2.004 -4.111 -3.228 1072 1H12 JN3 131 1H12 JN3 131 0.218 -3.104 -1.840 1073 2H12 JN3 131 2H12 JN3 131 0.272 -2.244 -3.380 1074 H14 JN3 131 H14 JN3 131 1.341 0.036 -3.574 1075 1H15 JN3 131 1H15 JN3 131 2.170 2.031 -2.590 1076 2H15 JN3 131 2H15 JN3 131 2.776 1.194 -1.165 1077 1H16 JN3 131 1H16 JN3 131 0.028 2.073 -1.762 1078 2H16 JN3 131 2H16 JN3 131 0.702 1.456 -0.209 1079 H17 JN3 131 H17 JN3 131 -0.759 -0.114 -2.414 1080 1H18 JN3 131 1H18 JN3 131 2.029 -0.383 0.229 1081 2H18 JN3 131 2H18 JN3 131 1.339 -2.018 0.365 1082 3H18 JN3 131 3H18 JN3 131 2.869 -1.767 -0.509 1083 1H19 JN3 131 1H19 JN3 131 5.484 -2.374 -2.352 1084 2H19 JN3 131 2H19 JN3 131 4.789 -4.011 -2.295 1085 3H19 JN3 131 3H19 JN3 131 6.295 -3.715 -3.196 1086 H20 JN3 131 H20 JN3 131 -0.720 -1.005 0.439 1087 1H21 JN3 131 1H21 JN3 131 -3.003 -1.572 0.138 1088 2H21 JN3 131 2H21 JN3 131 -2.945 -0.989 -1.543 1089 3H21 JN3 131 3H21 JN3 131 -1.959 -2.387 -1.051 1090 1H22 JN3 131 1H22 JN3 131 -2.934 0.638 0.366 1091 2H22 JN3 131 2H22 JN3 131 -1.710 1.599 -0.533 1092 1H23 JN3 131 1H23 JN3 131 -0.396 1.912 1.381 1093 2H23 JN3 131 2H23 JN3 131 -0.997 0.481 2.180 Start of MODEL 4 1 1H ALA 1 1H ALA 1 6.481 -10.703 -18.889 2 2H ALA 1 2H ALA 1 5.153 -11.365 -18.060 3 3H ALA 1 3H ALA 1 6.401 -12.375 -18.614 4 HA ALA 1 HA ALA 1 6.672 -12.075 -16.253 5 1HB ALA 1 1HB ALA 1 8.597 -12.158 -17.878 6 2HB ALA 1 2HB ALA 1 8.621 -10.394 -17.862 7 3HB ALA 1 3HB ALA 1 8.974 -11.296 -16.387 8 H PHE 2 H PHE 2 7.265 -10.456 -14.530 9 HA PHE 2 HA PHE 2 5.458 -8.167 -14.597 10 1HB PHE 2 1HB PHE 2 7.581 -9.105 -12.640 11 2HB PHE 2 2HB PHE 2 6.386 -7.854 -12.299 12 HD1 PHE 2 HD1 PHE 2 6.929 -11.453 -12.854 13 HD2 PHE 2 HD2 PHE 2 4.021 -8.404 -12.020 14 HE1 PHE 2 HE1 PHE 2 5.281 -13.197 -12.223 15 HE2 PHE 2 HE2 PHE 2 2.373 -10.148 -11.389 16 HZ PHE 2 HZ PHE 2 3.003 -12.544 -11.491 17 H SER 3 H SER 3 8.956 -8.658 -14.893 18 HA SER 3 HA SER 3 9.858 -5.989 -14.594 19 1HB SER 3 1HB SER 3 11.745 -6.827 -16.027 20 2HB SER 3 2HB SER 3 11.321 -7.935 -14.725 21 HG SER 3 HG SER 3 10.269 -8.094 -17.356 22 H GLY 4 H GLY 4 10.029 -4.256 -16.063 23 1HA GLY 4 1HA GLY 4 9.998 -3.683 -18.564 24 2HA GLY 4 2HA GLY 4 8.477 -4.576 -18.600 25 H THR 5 H THR 5 7.901 -2.262 -19.462 26 HA THR 5 HA THR 5 7.226 -0.474 -17.152 27 HB THR 5 HB THR 5 7.483 0.074 -20.128 28 HG1 THR 5 HG1 THR 5 9.471 -0.344 -19.190 29 1HG2 THR 5 1HG2 THR 5 7.298 2.044 -17.840 30 2HG2 THR 5 2HG2 THR 5 7.247 2.395 -19.567 31 3HG2 THR 5 3HG2 THR 5 5.904 1.548 -18.800 32 H TRP 6 H TRP 6 5.072 -0.275 -16.662 33 HA TRP 6 HA TRP 6 3.078 -1.234 -18.691 34 1HB TRP 6 1HB TRP 6 2.920 -1.211 -15.659 35 2HB TRP 6 2HB TRP 6 1.769 -1.965 -16.762 36 HD1 TRP 6 HD1 TRP 6 5.024 -2.548 -15.010 37 HE1 TRP 6 HE1 TRP 6 5.949 -4.873 -15.632 38 HE3 TRP 6 HE3 TRP 6 1.876 -3.754 -18.846 39 HZ2 TRP 6 HZ2 TRP 6 5.423 -6.967 -17.508 40 HZ3 TRP 6 HZ3 TRP 6 2.109 -5.917 -20.031 41 HH2 TRP 6 HH2 TRP 6 3.877 -7.524 -19.368 42 H GLN 7 H GLN 7 1.392 0.170 -19.178 43 HA GLN 7 HA GLN 7 1.329 2.777 -17.690 44 1HB GLN 7 1HB GLN 7 2.172 2.871 -20.017 45 2HB GLN 7 2HB GLN 7 0.681 2.115 -20.582 46 1HG GLN 7 1HG GLN 7 -0.616 4.018 -19.663 47 2HG GLN 7 2HG GLN 7 0.891 4.784 -19.155 48 1HE2 GLN 7 2HE2 GLN 7 0.975 6.558 -20.606 49 2HE2 GLN 7 1HE2 GLN 7 0.989 6.392 -22.294 50 H VAL 8 H VAL 8 -0.515 2.917 -16.474 51 HA VAL 8 HA VAL 8 -2.777 1.173 -16.738 52 HB VAL 8 HB VAL 8 -2.501 3.909 -15.449 53 1HG1 VAL 8 1HG1 VAL 8 -4.841 3.037 -15.706 54 2HG1 VAL 8 2HG1 VAL 8 -4.366 1.612 -14.782 55 3HG1 VAL 8 3HG1 VAL 8 -4.339 3.205 -14.024 56 1HG2 VAL 8 1HG2 VAL 8 -0.843 1.963 -14.872 57 2HG2 VAL 8 2HG2 VAL 8 -1.623 2.837 -13.553 58 3HG2 VAL 8 3HG2 VAL 8 -2.233 1.258 -14.047 59 H TYR 9 H TYR 9 -4.428 1.284 -18.206 60 HA TYR 9 HA TYR 9 -4.991 3.930 -19.507 61 1HB TYR 9 1HB TYR 9 -5.427 2.594 -21.564 62 2HB TYR 9 2HB TYR 9 -3.774 2.383 -20.985 63 HD1 TYR 9 HD1 TYR 9 -7.188 0.864 -20.776 64 HD2 TYR 9 HD2 TYR 9 -2.947 0.234 -20.505 65 HE1 TYR 9 HE1 TYR 9 -7.563 -1.580 -20.588 66 HE2 TYR 9 HE2 TYR 9 -3.323 -2.210 -20.316 67 HH TYR 9 HH TYR 9 -5.172 -3.845 -21.030 68 H ALA 10 H ALA 10 -6.223 1.037 -18.004 69 HA ALA 10 HA ALA 10 -8.995 2.147 -18.234 70 1HB ALA 10 1HB ALA 10 -7.978 -0.660 -18.745 71 2HB ALA 10 2HB ALA 10 -9.687 -0.298 -18.499 72 3HB ALA 10 3HB ALA 10 -8.826 0.397 -19.873 73 H GLN 11 H GLN 11 -9.998 2.221 -16.252 74 HA GLN 11 HA GLN 11 -9.163 0.321 -14.117 75 1HB GLN 11 1HB GLN 11 -8.808 2.242 -12.581 76 2HB GLN 11 2HB GLN 11 -7.706 2.306 -13.957 77 1HG GLN 11 1HG GLN 11 -9.385 3.823 -15.100 78 2HG GLN 11 2HG GLN 11 -10.250 3.901 -13.565 79 1HE2 GLN 11 2HE2 GLN 11 -8.889 6.165 -14.899 80 2HE2 GLN 11 1HE2 GLN 11 -7.681 6.695 -13.831 81 H GLU 12 H GLU 12 -11.082 -0.516 -13.399 82 HA GLU 12 HA GLU 12 -13.572 1.082 -13.644 83 1HB GLU 12 1HB GLU 12 -13.353 -1.291 -14.429 84 2HB GLU 12 2HB GLU 12 -13.085 -1.780 -12.755 85 1HG GLU 12 1HG GLU 12 -15.280 -0.968 -12.109 86 2HG GLU 12 2HG GLU 12 -15.546 -0.295 -13.717 87 H ASN 13 H ASN 13 -14.946 1.446 -11.794 88 HA ASN 13 HA ASN 13 -15.304 2.103 -9.548 89 1HB ASN 13 1HB ASN 13 -13.626 -0.390 -9.114 90 2HB ASN 13 2HB ASN 13 -14.798 0.294 -7.986 91 1HD2 ASN 13 2HD2 ASN 13 -16.963 0.872 -9.666 92 2HD2 ASN 13 1HD2 ASN 13 -17.548 -0.559 -10.364 93 H TYR 14 H TYR 14 -12.768 3.016 -10.960 94 HA TYR 14 HA TYR 14 -10.524 3.024 -9.224 95 1HB TYR 14 1HB TYR 14 -10.713 3.791 -11.626 96 2HB TYR 14 2HB TYR 14 -11.495 5.257 -11.033 97 HD1 TYR 14 HD1 TYR 14 -8.694 3.330 -9.491 98 HD2 TYR 14 HD2 TYR 14 -9.902 6.955 -11.454 99 HE1 TYR 14 HE1 TYR 14 -6.473 4.327 -9.018 100 HE2 TYR 14 HE2 TYR 14 -7.681 7.952 -10.981 101 HH TYR 14 HH TYR 14 -5.396 6.421 -8.859 102 H GLU 15 H GLU 15 -13.118 5.488 -9.520 103 HA GLU 15 HA GLU 15 -12.225 7.112 -7.333 104 1HB GLU 15 1HB GLU 15 -13.796 7.731 -9.191 105 2HB GLU 15 2HB GLU 15 -15.021 6.706 -8.442 106 1HG GLU 15 1HG GLU 15 -14.974 8.062 -6.413 107 2HG GLU 15 2HG GLU 15 -13.666 9.045 -7.070 108 H GLU 16 H GLU 16 -14.827 4.646 -7.496 109 HA GLU 16 HA GLU 16 -15.713 4.712 -4.839 110 1HB GLU 16 1HB GLU 16 -15.365 2.529 -6.895 111 2HB GLU 16 2HB GLU 16 -16.097 2.188 -5.327 112 1HG GLU 16 1HG GLU 16 -17.064 4.160 -7.413 113 2HG GLU 16 2HG GLU 16 -17.893 2.711 -6.843 114 H PHE 17 H PHE 17 -13.274 2.390 -6.085 115 HA PHE 17 HA PHE 17 -12.406 1.308 -3.662 116 1HB PHE 17 1HB PHE 17 -11.657 0.472 -5.789 117 2HB PHE 17 2HB PHE 17 -10.938 2.025 -6.215 118 HD1 PHE 17 HD1 PHE 17 -10.664 -0.887 -3.920 119 HD2 PHE 17 HD2 PHE 17 -8.751 2.634 -5.469 120 HE1 PHE 17 HE1 PHE 17 -8.529 -1.581 -2.864 121 HE2 PHE 17 HE2 PHE 17 -6.618 1.940 -4.414 122 HZ PHE 17 HZ PHE 17 -6.507 -0.169 -3.112 123 H LEU 18 H LEU 18 -10.996 4.171 -5.307 124 HA LEU 18 HA LEU 18 -9.116 4.852 -3.286 125 1HB LEU 18 1HB LEU 18 -10.349 5.990 -5.676 126 2HB LEU 18 2HB LEU 18 -9.981 7.229 -4.476 127 HG LEU 18 HG LEU 18 -7.753 5.499 -4.501 128 1HD1 LEU 18 1HD1 LEU 18 -8.877 6.065 -7.243 129 2HD1 LEU 18 2HD1 LEU 18 -7.143 5.858 -6.993 130 3HD1 LEU 18 3HD1 LEU 18 -8.253 4.544 -6.604 131 1HD2 LEU 18 1HD2 LEU 18 -8.226 8.236 -5.724 132 2HD2 LEU 18 2HD2 LEU 18 -7.662 7.899 -4.087 133 3HD2 LEU 18 3HD2 LEU 18 -6.632 7.522 -5.469 134 H LYS 19 H LYS 19 -12.489 5.951 -3.756 135 HA LYS 19 HA LYS 19 -12.755 7.851 -1.746 136 1HB LYS 19 1HB LYS 19 -14.468 5.773 -3.014 137 2HB LYS 19 2HB LYS 19 -15.100 6.513 -1.543 138 1HG LYS 19 1HG LYS 19 -14.653 8.766 -2.560 139 2HG LYS 19 2HG LYS 19 -14.216 7.950 -4.061 140 1HD LYS 19 1HD LYS 19 -16.409 7.118 -4.382 141 2HD LYS 19 2HD LYS 19 -16.865 7.440 -2.709 142 1HE LYS 19 1HE LYS 19 -15.971 9.824 -4.224 143 2HE LYS 19 2HE LYS 19 -17.500 9.108 -4.772 144 1HZ LYS 19 1HZ LYS 19 -16.888 9.557 -1.908 145 2HZ LYS 19 2HZ LYS 19 -17.670 10.728 -2.860 146 3HZ LYS 19 3HZ LYS 19 -18.392 9.209 -2.611 147 H ALA 20 H ALA 20 -12.718 4.310 -1.370 148 HA ALA 20 HA ALA 20 -13.324 4.317 1.460 149 1HB ALA 20 1HB ALA 20 -13.084 2.495 -0.631 150 2HB ALA 20 2HB ALA 20 -11.736 2.082 0.427 151 3HB ALA 20 3HB ALA 20 -13.382 2.083 1.058 152 H LEU 21 H LEU 21 -10.378 4.664 -0.425 153 HA LEU 21 HA LEU 21 -8.447 4.004 1.572 154 1HB LEU 21 1HB LEU 21 -8.497 4.809 -1.057 155 2HB LEU 21 2HB LEU 21 -7.831 6.236 -0.261 156 HG LEU 21 HG LEU 21 -6.260 4.585 0.959 157 1HD1 LEU 21 1HD1 LEU 21 -7.748 2.639 -0.002 158 2HD1 LEU 21 2HD1 LEU 21 -6.741 2.835 -1.436 159 3HD1 LEU 21 3HD1 LEU 21 -6.001 2.425 0.112 160 1HD2 LEU 21 1HD2 LEU 21 -6.104 5.183 -2.005 161 2HD2 LEU 21 2HD2 LEU 21 -5.355 6.077 -0.683 162 3HD2 LEU 21 3HD2 LEU 21 -4.762 4.471 -1.108 163 H ALA 22 H ALA 22 -10.500 6.803 1.166 164 HA ALA 22 HA ALA 22 -10.898 8.527 2.774 165 1HB ALA 22 1HB ALA 22 -9.631 6.566 4.178 166 2HB ALA 22 2HB ALA 22 -8.440 7.861 4.299 167 3HB ALA 22 3HB ALA 22 -10.085 8.119 4.880 168 H LEU 23 H LEU 23 -9.104 8.640 0.366 169 HA LEU 23 HA LEU 23 -6.848 10.359 1.054 170 1HB LEU 23 1HB LEU 23 -8.219 9.315 -1.402 171 2HB LEU 23 2HB LEU 23 -7.085 10.654 -1.575 172 HG LEU 23 HG LEU 23 -6.465 8.006 -0.233 173 1HD1 LEU 23 1HD1 LEU 23 -6.174 9.032 -3.008 174 2HD1 LEU 23 2HD1 LEU 23 -4.790 8.162 -2.348 175 3HD1 LEU 23 3HD1 LEU 23 -6.366 7.375 -2.436 176 1HD2 LEU 23 1HD2 LEU 23 -4.905 10.544 -0.716 177 2HD2 LEU 23 2HD2 LEU 23 -5.083 9.632 0.784 178 3HD2 LEU 23 3HD2 LEU 23 -4.082 8.996 -0.522 179 HA PRO 24 HA PRO 24 -8.823 14.274 0.916 180 1HB PRO 24 1HB PRO 24 -7.030 15.802 -0.475 181 2HB PRO 24 2HB PRO 24 -6.737 15.241 1.182 182 1HG PRO 24 1HG PRO 24 -5.691 14.174 -1.388 183 2HG PRO 24 2HG PRO 24 -4.887 14.331 0.180 184 1HD PRO 24 1HD PRO 24 -5.892 11.978 -0.783 185 2HD PRO 24 2HD PRO 24 -5.710 12.342 0.946 186 H GLU 25 H GLU 25 -10.281 15.414 -0.402 187 HA GLU 25 HA GLU 25 -11.027 14.311 -2.942 188 1HB GLU 25 1HB GLU 25 -11.635 16.947 -1.564 189 2HB GLU 25 2HB GLU 25 -12.512 16.336 -2.967 190 1HG GLU 25 1HG GLU 25 -13.285 14.411 -1.744 191 2HG GLU 25 2HG GLU 25 -12.232 14.790 -0.379 192 H ASP 26 H ASP 26 -9.183 17.235 -2.052 193 HA ASP 26 HA ASP 26 -8.904 18.415 -4.601 194 1HB ASP 26 1HB ASP 26 -8.208 19.283 -2.331 195 2HB ASP 26 2HB ASP 26 -6.807 18.215 -2.417 196 H LEU 27 H LEU 27 -7.319 15.584 -3.237 197 HA LEU 27 HA LEU 27 -5.338 15.447 -5.427 198 1HB LEU 27 1HB LEU 27 -4.720 14.857 -3.134 199 2HB LEU 27 2HB LEU 27 -6.017 13.664 -3.066 200 HG LEU 27 HG LEU 27 -4.922 12.505 -5.035 201 1HD1 LEU 27 1HD1 LEU 27 -2.955 14.705 -4.499 202 2HD1 LEU 27 2HD1 LEU 27 -2.352 13.140 -5.047 203 3HD1 LEU 27 3HD1 LEU 27 -3.497 14.041 -6.041 204 1HD2 LEU 27 1HD2 LEU 27 -4.527 12.171 -2.392 205 2HD2 LEU 27 2HD2 LEU 27 -3.682 11.200 -3.598 206 3HD2 LEU 27 3HD2 LEU 27 -2.880 12.589 -2.864 207 H ILE 28 H ILE 28 -8.479 14.160 -4.624 208 HA ILE 28 HA ILE 28 -8.290 11.916 -6.529 209 HB ILE 28 HB ILE 28 -10.538 13.093 -4.861 210 1HG1 ILE 28 1HG1 ILE 28 -8.864 10.593 -4.455 211 2HG1 ILE 28 2HG1 ILE 28 -8.590 12.119 -3.613 212 1HG2 ILE 28 1HG2 ILE 28 -11.295 11.805 -6.883 213 2HG2 ILE 28 2HG2 ILE 28 -10.401 10.413 -6.274 214 3HG2 ILE 28 3HG2 ILE 28 -11.764 11.056 -5.357 215 1HD1 ILE 28 1HD1 ILE 28 -11.324 10.879 -3.563 216 2HD1 ILE 28 2HD1 ILE 28 -10.074 10.267 -2.481 217 3HD1 ILE 28 3HD1 ILE 28 -10.569 11.956 -2.389 218 H LYS 29 H LYS 29 -9.915 15.083 -6.305 219 HA LYS 29 HA LYS 29 -11.333 14.826 -8.821 220 1HB LYS 29 1HB LYS 29 -10.519 17.233 -7.155 221 2HB LYS 29 2HB LYS 29 -11.748 17.238 -8.421 222 1HG LYS 29 1HG LYS 29 -11.975 15.238 -6.200 223 2HG LYS 29 2HG LYS 29 -12.450 16.909 -5.895 224 1HD LYS 29 1HD LYS 29 -14.052 16.860 -7.698 225 2HD LYS 29 2HD LYS 29 -13.474 15.282 -8.234 226 1HE LYS 29 1HE LYS 29 -14.145 14.382 -5.943 227 2HE LYS 29 2HE LYS 29 -14.978 15.927 -5.682 228 1HZ LYS 29 1HZ LYS 29 -15.386 14.119 -8.007 229 2HZ LYS 29 2HZ LYS 29 -16.458 14.294 -6.701 230 3HZ LYS 29 3HZ LYS 29 -16.177 15.598 -7.752 231 H MET 30 H MET 30 -8.148 16.013 -7.872 232 HA MET 30 HA MET 30 -7.627 17.200 -10.524 233 1HB MET 30 1HB MET 30 -6.845 18.110 -8.295 234 2HB MET 30 2HB MET 30 -5.776 16.712 -8.171 235 1HG MET 30 1HG MET 30 -4.537 17.366 -10.104 236 2HG MET 30 2HG MET 30 -5.745 18.568 -10.558 237 1HE MET 30 1HE MET 30 -2.428 18.214 -9.576 238 2HE MET 30 2HE MET 30 -2.092 19.071 -8.074 239 3HE MET 30 3HE MET 30 -2.963 17.531 -8.043 240 H ALA 31 H ALA 31 -7.059 14.196 -8.825 241 HA ALA 31 HA ALA 31 -5.122 13.297 -10.910 242 1HB ALA 31 1HB ALA 31 -4.602 13.060 -8.485 243 2HB ALA 31 2HB ALA 31 -6.034 12.048 -8.296 244 3HB ALA 31 3HB ALA 31 -4.688 11.494 -9.292 245 H ARG 32 H ARG 32 -8.371 13.415 -10.650 246 HA ARG 32 HA ARG 32 -9.218 10.698 -11.105 247 1HB ARG 32 1HB ARG 32 -11.317 11.769 -11.678 248 2HB ARG 32 2HB ARG 32 -10.588 12.692 -10.363 249 1HG ARG 32 1HG ARG 32 -9.598 14.233 -12.093 250 2HG ARG 32 2HG ARG 32 -10.543 13.379 -13.313 251 1HD ARG 32 1HD ARG 32 -12.616 13.912 -11.938 252 2HD ARG 32 2HD ARG 32 -11.592 14.987 -10.965 253 HE ARG 32 HE ARG 32 -10.950 15.935 -13.355 254 1HH1 ARG 32 1HH1 ARG 32 -13.485 16.822 -11.735 255 2HH1 ARG 32 2HH1 ARG 32 -14.630 16.928 -13.029 256 1HH2 ARG 32 1HH2 ARG 32 -12.651 15.184 -15.278 257 2HH2 ARG 32 2HH2 ARG 32 -14.159 16.001 -15.035 258 H ASP 33 H ASP 33 -7.179 12.486 -12.960 259 HA ASP 33 HA ASP 33 -7.856 10.940 -15.400 260 1HB ASP 33 1HB ASP 33 -7.787 13.964 -15.179 261 2HB ASP 33 2HB ASP 33 -7.779 13.101 -16.717 262 H ILE 34 H ILE 34 -5.644 10.506 -13.793 263 HA ILE 34 HA ILE 34 -3.407 11.768 -15.347 264 HB ILE 34 HB ILE 34 -3.883 11.206 -12.452 265 1HG1 ILE 34 1HG1 ILE 34 -2.314 13.334 -13.944 266 2HG1 ILE 34 2HG1 ILE 34 -3.992 13.494 -13.423 267 1HG2 ILE 34 1HG2 ILE 34 -1.370 10.611 -13.915 268 2HG2 ILE 34 2HG2 ILE 34 -1.195 11.553 -12.435 269 3HG2 ILE 34 3HG2 ILE 34 -1.961 9.965 -12.384 270 1HD1 ILE 34 1HD1 ILE 34 -3.145 12.973 -11.059 271 2HD1 ILE 34 2HD1 ILE 34 -1.524 13.243 -11.697 272 3HD1 ILE 34 3HD1 ILE 34 -2.709 14.549 -11.718 273 H LYS 35 H LYS 35 -2.449 10.253 -16.642 274 HA LYS 35 HA LYS 35 -2.756 7.371 -16.032 275 1HB LYS 35 1HB LYS 35 -1.678 9.010 -18.340 276 2HB LYS 35 2HB LYS 35 -1.615 7.247 -18.319 277 1HG LYS 35 1HG LYS 35 -3.816 7.064 -18.802 278 2HG LYS 35 2HG LYS 35 -4.257 8.278 -17.602 279 1HD LYS 35 1HD LYS 35 -2.874 9.298 -20.021 280 2HD LYS 35 2HD LYS 35 -4.506 8.679 -20.271 281 1HE LYS 35 1HE LYS 35 -5.292 10.144 -18.379 282 2HE LYS 35 2HE LYS 35 -3.667 10.857 -18.327 283 1HZ LYS 35 1HZ LYS 35 -3.916 11.241 -20.773 284 2HZ LYS 35 2HZ LYS 35 -5.556 10.826 -20.616 285 3HZ LYS 35 3HZ LYS 35 -4.944 12.182 -19.804 286 HA PRO 36 HA PRO 36 1.412 8.162 -14.236 287 1HB PRO 36 1HB PRO 36 1.087 6.463 -12.115 288 2HB PRO 36 2HB PRO 36 0.556 8.156 -12.086 289 1HG PRO 36 1HG PRO 36 -1.035 5.681 -12.511 290 2HG PRO 36 2HG PRO 36 -1.456 7.157 -11.629 291 1HD PRO 36 1HD PRO 36 -2.359 6.580 -14.144 292 2HD PRO 36 2HD PRO 36 -2.178 8.230 -13.513 293 H ILE 37 H ILE 37 3.160 6.881 -14.809 294 HA ILE 37 HA ILE 37 2.572 4.151 -15.856 295 HB ILE 37 HB ILE 37 4.970 5.996 -16.121 296 1HG1 ILE 37 1HG1 ILE 37 2.942 5.328 -18.255 297 2HG1 ILE 37 2HG1 ILE 37 2.678 6.668 -17.138 298 1HG2 ILE 37 1HG2 ILE 37 5.356 3.492 -16.401 299 2HG2 ILE 37 2HG2 ILE 37 4.261 3.567 -17.783 300 3HG2 ILE 37 3HG2 ILE 37 5.768 4.484 -17.801 301 1HD1 ILE 37 1HD1 ILE 37 5.342 6.497 -18.474 302 2HD1 ILE 37 2HD1 ILE 37 3.970 7.011 -19.456 303 3HD1 ILE 37 3HD1 ILE 37 4.407 7.919 -18.009 304 H VAL 38 H VAL 38 4.449 2.543 -15.465 305 HA VAL 38 HA VAL 38 5.815 2.931 -12.849 306 HB VAL 38 HB VAL 38 3.531 1.951 -12.494 307 1HG1 VAL 38 1HG1 VAL 38 3.828 0.665 -14.791 308 2HG1 VAL 38 2HG1 VAL 38 4.518 -0.583 -13.754 309 3HG1 VAL 38 3HG1 VAL 38 2.862 -0.036 -13.494 310 1HG2 VAL 38 1HG2 VAL 38 5.763 1.351 -11.200 311 2HG2 VAL 38 2HG2 VAL 38 4.281 0.452 -10.877 312 3HG2 VAL 38 3HG2 VAL 38 5.514 -0.232 -11.937 313 H GLU 39 H GLU 39 7.851 2.035 -12.935 314 HA GLU 39 HA GLU 39 8.469 0.225 -15.242 315 1HB GLU 39 1HB GLU 39 9.528 2.559 -14.898 316 2HB GLU 39 2HB GLU 39 10.415 1.819 -13.565 317 1HG GLU 39 1HG GLU 39 11.297 0.103 -15.121 318 2HG GLU 39 2HG GLU 39 10.444 0.886 -16.451 319 H ILE 40 H ILE 40 8.477 -1.883 -14.525 320 HA ILE 40 HA ILE 40 9.430 -2.477 -11.763 321 HB ILE 40 HB ILE 40 8.090 -4.209 -13.865 322 1HG1 ILE 40 1HG1 ILE 40 6.849 -2.852 -11.453 323 2HG1 ILE 40 2HG1 ILE 40 6.765 -2.192 -13.088 324 1HG2 ILE 40 1HG2 ILE 40 8.457 -4.569 -10.874 325 2HG2 ILE 40 2HG2 ILE 40 7.564 -5.659 -11.935 326 3HG2 ILE 40 3HG2 ILE 40 9.307 -5.470 -12.129 327 1HD1 ILE 40 1HD1 ILE 40 5.936 -4.702 -13.602 328 2HD1 ILE 40 2HD1 ILE 40 5.393 -4.566 -11.930 329 3HD1 ILE 40 3HD1 ILE 40 4.823 -3.416 -13.139 330 H GLN 41 H GLN 41 11.322 -3.639 -11.423 331 HA GLN 41 HA GLN 41 12.711 -4.802 -13.806 332 1HB GLN 41 1HB GLN 41 13.585 -2.554 -13.411 333 2HB GLN 41 2HB GLN 41 13.825 -2.918 -11.701 334 1HG GLN 41 1HG GLN 41 15.453 -4.669 -12.291 335 2HG GLN 41 2HG GLN 41 15.208 -4.325 -14.004 336 1HE2 GLN 41 2HE2 GLN 41 17.791 -4.032 -12.849 337 2HE2 GLN 41 1HE2 GLN 41 18.192 -2.383 -12.813 338 H GLN 42 H GLN 42 11.645 -6.716 -12.521 339 HA GLN 42 HA GLN 42 12.701 -7.500 -9.963 340 1HB GLN 42 1HB GLN 42 10.601 -8.290 -11.116 341 2HB GLN 42 2HB GLN 42 11.620 -9.219 -12.216 342 1HG GLN 42 1HG GLN 42 12.588 -10.425 -10.277 343 2HG GLN 42 2HG GLN 42 11.517 -9.527 -9.201 344 1HE2 GLN 42 2HE2 GLN 42 11.498 -12.460 -9.630 345 2HE2 GLN 42 1HE2 GLN 42 9.961 -12.842 -10.240 346 H LYS 43 H LYS 43 14.214 -9.312 -9.589 347 HA LYS 43 HA LYS 43 15.979 -10.116 -11.818 348 1HB LYS 43 1HB LYS 43 16.706 -8.221 -9.591 349 2HB LYS 43 2HB LYS 43 17.946 -9.231 -10.337 350 1HG LYS 43 1HG LYS 43 16.113 -7.307 -11.800 351 2HG LYS 43 2HG LYS 43 17.825 -7.046 -11.464 352 1HD LYS 43 1HD LYS 43 18.217 -9.275 -12.707 353 2HD LYS 43 2HD LYS 43 16.569 -9.080 -13.306 354 1HE LYS 43 1HE LYS 43 17.188 -6.825 -14.192 355 2HE LYS 43 2HE LYS 43 18.863 -7.124 -13.685 356 1HZ LYS 43 1HZ LYS 43 17.273 -8.869 -15.493 357 2HZ LYS 43 2HZ LYS 43 18.505 -7.814 -15.987 358 3HZ LYS 43 3HZ LYS 43 18.876 -9.145 -15.001 359 H GLY 44 H GLY 44 14.268 -11.652 -10.119 360 1HA GLY 44 1HA GLY 44 15.072 -13.941 -9.412 361 2HA GLY 44 2HA GLY 44 16.277 -13.099 -8.437 362 H ASP 45 H ASP 45 15.690 -12.356 -6.409 363 HA ASP 45 HA ASP 45 12.885 -12.964 -5.551 364 1HB ASP 45 1HB ASP 45 15.610 -13.068 -4.300 365 2HB ASP 45 2HB ASP 45 14.209 -12.833 -3.254 366 H ASP 46 H ASP 46 14.931 -10.393 -6.302 367 HA ASP 46 HA ASP 46 13.686 -8.548 -4.312 368 1HB ASP 46 1HB ASP 46 16.228 -8.810 -4.902 369 2HB ASP 46 2HB ASP 46 15.815 -7.854 -6.326 370 H PHE 47 H PHE 47 12.602 -6.630 -5.065 371 HA PHE 47 HA PHE 47 11.895 -6.601 -7.977 372 1HB PHE 47 1HB PHE 47 10.141 -6.539 -5.515 373 2HB PHE 47 2HB PHE 47 9.561 -5.966 -7.079 374 HD1 PHE 47 HD1 PHE 47 11.166 -8.918 -5.431 375 HD2 PHE 47 HD2 PHE 47 8.725 -7.488 -8.664 376 HE1 PHE 47 HE1 PHE 47 10.705 -11.256 -6.118 377 HE2 PHE 47 HE2 PHE 47 8.264 -9.826 -9.351 378 HZ PHE 47 HZ PHE 47 9.254 -11.710 -8.078 379 H VAL 48 H VAL 48 11.782 -4.525 -8.855 380 HA VAL 48 HA VAL 48 12.136 -2.227 -6.955 381 HB VAL 48 HB VAL 48 13.389 -2.720 -9.677 382 1HG1 VAL 48 1HG1 VAL 48 13.353 -0.389 -7.790 383 2HG1 VAL 48 2HG1 VAL 48 14.812 -0.702 -8.730 384 3HG1 VAL 48 3HG1 VAL 48 13.283 -0.400 -9.552 385 1HG2 VAL 48 1HG2 VAL 48 14.257 -3.174 -6.860 386 2HG2 VAL 48 2HG2 VAL 48 14.677 -4.067 -8.322 387 3HG2 VAL 48 3HG2 VAL 48 15.461 -2.526 -7.973 388 H VAL 49 H VAL 49 10.087 -1.297 -7.059 389 HA VAL 49 HA VAL 49 8.858 -0.902 -9.758 390 HB VAL 49 HB VAL 49 7.731 -0.729 -6.943 391 1HG1 VAL 49 1HG1 VAL 49 6.687 -0.018 -9.597 392 2HG1 VAL 49 2HG1 VAL 49 5.644 -1.127 -8.707 393 3HG1 VAL 49 3HG1 VAL 49 6.087 0.426 -7.999 394 1HG2 VAL 49 1HG2 VAL 49 8.505 -2.994 -8.232 395 2HG2 VAL 49 2HG2 VAL 49 7.139 -2.934 -7.118 396 3HG2 VAL 49 3HG2 VAL 49 6.864 -2.825 -8.856 397 H THR 50 H THR 50 8.620 1.178 -10.540 398 HA THR 50 HA THR 50 9.132 3.455 -8.660 399 HB THR 50 HB THR 50 10.245 2.994 -11.447 400 HG1 THR 50 HG1 THR 50 12.197 2.849 -10.337 401 1HG2 THR 50 1HG2 THR 50 11.591 5.084 -10.816 402 2HG2 THR 50 2HG2 THR 50 9.896 5.335 -11.233 403 3HG2 THR 50 3HG2 THR 50 10.398 5.331 -9.541 404 H SER 51 H SER 51 7.056 4.330 -8.630 405 HA SER 51 HA SER 51 5.451 4.490 -11.101 406 1HB SER 51 1HB SER 51 5.084 5.249 -8.196 407 2HB SER 51 2HB SER 51 3.869 5.616 -9.418 408 HG SER 51 HG SER 51 3.460 3.609 -8.437 409 H LYS 52 H LYS 52 5.198 6.355 -12.315 410 HA LYS 52 HA LYS 52 6.430 8.879 -11.256 411 1HB LYS 52 1HB LYS 52 6.650 7.515 -13.951 412 2HB LYS 52 2HB LYS 52 7.097 9.205 -13.712 413 1HG LYS 52 1HG LYS 52 8.678 8.509 -11.922 414 2HG LYS 52 2HG LYS 52 8.273 6.823 -12.250 415 1HD LYS 52 1HD LYS 52 9.047 7.104 -14.588 416 2HD LYS 52 2HD LYS 52 9.492 8.772 -14.227 417 1HE LYS 52 1HE LYS 52 11.417 8.139 -13.189 418 2HE LYS 52 2HE LYS 52 10.605 6.824 -12.315 419 1HZ LYS 52 1HZ LYS 52 11.131 6.726 -15.230 420 2HZ LYS 52 2HZ LYS 52 12.226 6.106 -14.088 421 3HZ LYS 52 3HZ LYS 52 10.667 5.449 -14.211 422 H THR 53 H THR 53 4.911 10.485 -11.203 423 HA THR 53 HA THR 53 2.506 10.234 -12.969 424 HB THR 53 HB THR 53 1.937 12.157 -11.115 425 HG1 THR 53 HG1 THR 53 3.807 12.020 -9.990 426 1HG2 THR 53 1HG2 THR 53 1.789 9.168 -10.636 427 2HG2 THR 53 2HG2 THR 53 0.764 10.398 -9.897 428 3HG2 THR 53 3HG2 THR 53 0.654 10.084 -11.628 429 HA PRO 54 HA PRO 54 3.530 13.910 -15.134 430 1HB PRO 54 1HB PRO 54 1.141 15.239 -15.269 431 2HB PRO 54 2HB PRO 54 1.480 13.765 -16.200 432 1HG PRO 54 1HG PRO 54 -0.076 14.101 -13.687 433 2HG PRO 54 2HG PRO 54 -0.378 13.039 -15.070 434 1HD PRO 54 1HD PRO 54 0.714 12.191 -12.712 435 2HD PRO 54 2HD PRO 54 1.002 11.400 -14.278 436 H ARG 55 H ARG 55 2.147 14.183 -11.959 437 HA ARG 55 HA ARG 55 2.915 17.065 -11.770 438 1HB ARG 55 1HB ARG 55 0.647 16.429 -11.097 439 2HB ARG 55 2HB ARG 55 1.291 15.207 -9.999 440 1HG ARG 55 1HG ARG 55 2.433 16.981 -8.706 441 2HG ARG 55 2HG ARG 55 1.759 18.197 -9.792 442 1HD ARG 55 1HD ARG 55 -0.474 17.763 -9.062 443 2HD ARG 55 2HD ARG 55 0.008 16.256 -8.257 444 HE ARG 55 HE ARG 55 1.121 18.884 -7.360 445 1HH1 ARG 55 1HH1 ARG 55 1.958 16.324 -6.038 446 2HH1 ARG 55 2HH1 ARG 55 0.910 16.269 -4.659 447 1HH2 ARG 55 1HH2 ARG 55 -1.294 18.635 -5.911 448 2HH2 ARG 55 2HH2 ARG 55 -0.931 17.578 -4.588 449 H GLN 56 H GLN 56 3.828 13.867 -10.724 450 HA GLN 56 HA GLN 56 6.279 14.903 -9.495 451 1HB GLN 56 1HB GLN 56 5.728 14.051 -7.244 452 2HB GLN 56 2HB GLN 56 4.548 15.260 -7.752 453 1HG GLN 56 1HG GLN 56 2.945 13.562 -8.340 454 2HG GLN 56 2HG GLN 56 4.140 12.282 -8.118 455 1HE2 GLN 56 2HE2 GLN 56 2.018 11.786 -6.595 456 2HE2 GLN 56 1HE2 GLN 56 2.232 12.258 -4.979 457 H THR 57 H THR 57 7.657 13.045 -8.719 458 HA THR 57 HA THR 57 6.875 10.447 -10.002 459 HB THR 57 HB THR 57 9.429 10.371 -10.491 460 HG1 THR 57 HG1 THR 57 10.499 12.088 -9.987 461 1HG2 THR 57 1HG2 THR 57 9.111 11.777 -12.540 462 2HG2 THR 57 2HG2 THR 57 7.793 10.637 -12.264 463 3HG2 THR 57 3HG2 THR 57 7.582 12.341 -11.864 464 H VAL 58 H VAL 58 7.075 8.728 -8.613 465 HA VAL 58 HA VAL 58 8.823 9.067 -6.195 466 HB VAL 58 HB VAL 58 6.124 7.695 -6.432 467 1HG1 VAL 58 1HG1 VAL 58 7.781 6.837 -4.699 468 2HG1 VAL 58 2HG1 VAL 58 7.687 8.427 -3.944 469 3HG1 VAL 58 3HG1 VAL 58 6.246 7.415 -4.052 470 1HG2 VAL 58 1HG2 VAL 58 6.967 10.467 -5.750 471 2HG2 VAL 58 2HG2 VAL 58 5.454 9.892 -6.451 472 3HG2 VAL 58 3HG2 VAL 58 5.734 9.747 -4.716 473 H THR 59 H THR 59 10.334 7.456 -6.033 474 HA THR 59 HA THR 59 9.909 4.961 -7.641 475 HB THR 59 HB THR 59 12.441 6.300 -6.631 476 HG1 THR 59 HG1 THR 59 12.016 7.539 -8.268 477 1HG2 THR 59 1HG2 THR 59 12.492 4.351 -8.859 478 2HG2 THR 59 2HG2 THR 59 13.633 4.577 -7.532 479 3HG2 THR 59 3HG2 THR 59 12.138 3.677 -7.268 480 H ASN 60 H ASN 60 9.972 2.998 -6.556 481 HA ASN 60 HA ASN 60 10.803 3.017 -3.677 482 1HB ASN 60 1HB ASN 60 8.355 1.728 -4.931 483 2HB ASN 60 2HB ASN 60 8.805 1.625 -3.228 484 1HD2 ASN 60 2HD2 ASN 60 6.318 2.778 -3.929 485 2HD2 ASN 60 1HD2 ASN 60 6.371 4.446 -3.621 486 H SER 61 H SER 61 11.650 0.981 -2.940 487 HA SER 61 HA SER 61 11.946 -1.196 -4.948 488 1HB SER 61 1HB SER 61 13.848 0.278 -5.312 489 2HB SER 61 2HB SER 61 14.185 0.332 -3.584 490 HG SER 61 HG SER 61 14.554 -1.747 -5.437 491 H PHE 62 H PHE 62 11.649 -3.133 -3.914 492 HA PHE 62 HA PHE 62 12.434 -3.374 -1.042 493 1HB PHE 62 1HB PHE 62 10.188 -4.471 -0.672 494 2HB PHE 62 2HB PHE 62 10.087 -2.755 -1.064 495 HD1 PHE 62 HD1 PHE 62 9.360 -2.008 -3.300 496 HD2 PHE 62 HD2 PHE 62 9.441 -6.170 -2.236 497 HE1 PHE 62 HE1 PHE 62 7.950 -2.539 -5.270 498 HE2 PHE 62 HE2 PHE 62 8.030 -6.700 -4.205 499 HZ PHE 62 HZ PHE 62 7.284 -4.885 -5.722 500 H THR 63 H THR 63 12.316 -5.760 -0.372 501 HA THR 63 HA THR 63 13.109 -7.490 -2.692 502 HB THR 63 HB THR 63 13.895 -7.591 0.239 503 HG1 THR 63 HG1 THR 63 14.955 -5.899 -0.554 504 1HG2 THR 63 1HG2 THR 63 15.008 -9.073 -2.159 505 2HG2 THR 63 2HG2 THR 63 15.559 -9.225 -0.489 506 3HG2 THR 63 3HG2 THR 63 13.946 -9.781 -0.940 507 H LEU 64 H LEU 64 12.131 -9.527 -2.855 508 HA LEU 64 HA LEU 64 9.618 -9.936 -1.434 509 1HB LEU 64 1HB LEU 64 10.449 -10.549 -3.863 510 2HB LEU 64 2HB LEU 64 11.039 -12.014 -3.078 511 HG LEU 64 HG LEU 64 8.599 -12.026 -2.028 512 1HD1 LEU 64 1HD1 LEU 64 8.297 -10.469 -4.614 513 2HD1 LEU 64 2HD1 LEU 64 6.961 -11.216 -3.737 514 3HD1 LEU 64 3HD1 LEU 64 7.881 -9.908 -2.995 515 1HD2 LEU 64 1HD2 LEU 64 9.740 -13.684 -3.623 516 2HD2 LEU 64 2HD2 LEU 64 7.979 -13.614 -3.698 517 3HD2 LEU 64 3HD2 LEU 64 8.948 -12.805 -4.931 518 H GLY 65 H GLY 65 9.431 -10.956 0.519 519 1HA GLY 65 1HA GLY 65 9.836 -12.936 1.908 520 2HA GLY 65 2HA GLY 65 11.467 -13.015 1.239 521 H LYS 66 H LYS 66 10.975 -9.822 1.712 522 HA LYS 66 HA LYS 66 11.766 -9.865 4.597 523 1HB LYS 66 1HB LYS 66 13.204 -8.651 2.224 524 2HB LYS 66 2HB LYS 66 13.554 -8.175 3.886 525 1HG LYS 66 1HG LYS 66 14.041 -10.548 4.440 526 2HG LYS 66 2HG LYS 66 13.763 -10.980 2.751 527 1HD LYS 66 1HD LYS 66 15.584 -9.450 2.066 528 2HD LYS 66 2HD LYS 66 15.876 -9.052 3.759 529 1HE LYS 66 1HE LYS 66 16.337 -11.477 4.208 530 2HE LYS 66 2HE LYS 66 16.185 -11.783 2.466 531 1HZ LYS 66 1HZ LYS 66 17.843 -9.970 2.132 532 2HZ LYS 66 2HZ LYS 66 18.106 -9.963 3.812 533 3HZ LYS 66 3HZ LYS 66 18.469 -11.349 2.903 534 H GLU 67 H GLU 67 11.226 -7.914 5.712 535 HA GLU 67 HA GLU 67 8.967 -6.437 4.672 536 1HB GLU 67 1HB GLU 67 9.525 -7.011 7.075 537 2HB GLU 67 2HB GLU 67 10.793 -5.785 7.004 538 1HG GLU 67 1HG GLU 67 9.111 -4.072 6.439 539 2HG GLU 67 2HG GLU 67 7.842 -5.294 6.503 540 H ALA 68 H ALA 68 9.071 -4.713 3.292 541 HA ALA 68 HA ALA 68 11.596 -3.087 3.248 542 1HB ALA 68 1HB ALA 68 9.709 -3.981 1.049 543 2HB ALA 68 2HB ALA 68 10.980 -2.784 0.802 544 3HB ALA 68 3HB ALA 68 11.401 -4.436 1.253 545 H ASP 69 H ASP 69 11.311 -0.814 3.059 546 HA ASP 69 HA ASP 69 8.754 0.229 4.033 547 1HB ASP 69 1HB ASP 69 11.336 1.541 3.116 548 2HB ASP 69 2HB ASP 69 10.034 2.363 3.977 549 H ILE 70 H ILE 70 7.173 1.190 2.785 550 HA ILE 70 HA ILE 70 7.803 1.718 -0.103 551 HB ILE 70 HB ILE 70 5.459 0.354 1.238 552 1HG1 ILE 70 1HG1 ILE 70 7.414 -1.034 0.624 553 2HG1 ILE 70 2HG1 ILE 70 6.015 -1.434 -0.372 554 1HG2 ILE 70 1HG2 ILE 70 4.750 2.094 -0.482 555 2HG2 ILE 70 2HG2 ILE 70 5.619 1.136 -1.682 556 3HG2 ILE 70 3HG2 ILE 70 4.242 0.440 -0.826 557 1HD1 ILE 70 1HD1 ILE 70 7.234 0.618 -1.788 558 2HD1 ILE 70 2HD1 ILE 70 8.599 -0.310 -1.165 559 3HD1 ILE 70 3HD1 ILE 70 7.370 -1.103 -2.152 560 H THR 71 H THR 71 6.847 3.604 -0.959 561 HA THR 71 HA THR 71 5.378 5.328 1.011 562 HB THR 71 HB THR 71 7.639 6.111 0.510 563 HG1 THR 71 HG1 THR 71 6.662 7.956 0.552 564 1HG2 THR 71 1HG2 THR 71 8.130 6.753 -1.912 565 2HG2 THR 71 2HG2 THR 71 8.116 5.025 -1.560 566 3HG2 THR 71 3HG2 THR 71 6.730 5.775 -2.353 567 H THR 72 H THR 72 3.406 6.123 0.323 568 HA THR 72 HA THR 72 2.341 5.196 -2.258 569 HB THR 72 HB THR 72 0.731 7.064 -0.681 570 HG1 THR 72 HG1 THR 72 1.828 4.765 0.565 571 1HG2 THR 72 1HG2 THR 72 -0.352 4.519 -0.500 572 2HG2 THR 72 2HG2 THR 72 -0.701 5.695 -1.768 573 3HG2 THR 72 3HG2 THR 72 0.541 4.469 -2.019 574 H MET 73 H MET 73 1.439 6.683 -3.853 575 HA MET 73 HA MET 73 3.108 8.957 -4.439 576 1HB MET 73 1HB MET 73 1.628 7.343 -5.904 577 2HB MET 73 2HB MET 73 0.357 8.524 -5.577 578 1HG MET 73 1HG MET 73 1.223 9.952 -7.084 579 2HG MET 73 2HG MET 73 2.802 9.882 -6.301 580 1HE MET 73 1HE MET 73 0.587 7.155 -7.602 581 2HE MET 73 2HE MET 73 0.447 8.154 -9.056 582 3HE MET 73 3HE MET 73 1.287 6.607 -9.124 583 H ASP 74 H ASP 74 0.301 8.566 -2.462 584 HA ASP 74 HA ASP 74 -0.591 11.358 -2.650 585 1HB ASP 74 1HB ASP 74 -2.194 10.596 -0.940 586 2HB ASP 74 2HB ASP 74 -2.095 9.417 -2.249 587 H GLY 75 H GLY 75 1.884 9.701 -0.993 588 1HA GLY 75 1HA GLY 75 3.516 10.980 0.309 589 2HA GLY 75 2HA GLY 75 2.199 12.022 0.854 590 H LYS 76 H LYS 76 1.831 8.542 0.737 591 HA LYS 76 HA LYS 76 1.632 8.536 3.722 592 1HB LYS 76 1HB LYS 76 0.206 7.335 1.458 593 2HB LYS 76 2HB LYS 76 0.582 6.166 2.724 594 1HG LYS 76 1HG LYS 76 -0.351 7.863 4.386 595 2HG LYS 76 2HG LYS 76 -0.971 8.747 2.991 596 1HD LYS 76 1HD LYS 76 -2.796 7.396 3.457 597 2HD LYS 76 2HD LYS 76 -1.923 6.360 2.327 598 1HE LYS 76 1HE LYS 76 -0.902 5.125 4.177 599 2HE LYS 76 2HE LYS 76 -1.665 6.215 5.353 600 1HZ LYS 76 1HZ LYS 76 -3.212 4.728 3.307 601 2HZ LYS 76 2HZ LYS 76 -2.923 4.103 4.858 602 3HZ LYS 76 3HZ LYS 76 -3.805 5.544 4.675 603 H LYS 77 H LYS 77 3.074 7.302 4.889 604 HA LYS 77 HA LYS 77 5.017 5.626 3.345 605 1HB LYS 77 1HB LYS 77 5.117 7.001 6.048 606 2HB LYS 77 2HB LYS 77 6.418 6.000 5.404 607 1HG LYS 77 1HG LYS 77 6.627 7.491 3.462 608 2HG LYS 77 2HG LYS 77 5.299 8.482 4.067 609 1HD LYS 77 1HD LYS 77 6.587 9.042 6.070 610 2HD LYS 77 2HD LYS 77 7.901 7.990 5.544 611 1HE LYS 77 1HE LYS 77 8.362 9.397 3.629 612 2HE LYS 77 2HE LYS 77 6.911 10.372 3.939 613 1HZ LYS 77 1HZ LYS 77 9.115 10.007 5.896 614 2HZ LYS 77 2HZ LYS 77 8.985 11.351 4.864 615 3HZ LYS 77 3HZ LYS 77 7.789 11.060 6.032 616 H LEU 78 H LEU 78 5.199 3.443 3.844 617 HA LEU 78 HA LEU 78 4.248 2.303 6.348 618 1HB LEU 78 1HB LEU 78 2.318 1.124 5.371 619 2HB LEU 78 2HB LEU 78 2.131 2.868 5.173 620 HG LEU 78 HG LEU 78 3.600 1.670 2.955 621 1HD1 LEU 78 1HD1 LEU 78 1.168 0.338 3.922 622 2HD1 LEU 78 2HD1 LEU 78 1.057 0.858 2.241 623 3HD1 LEU 78 3HD1 LEU 78 2.360 -0.216 2.748 624 1HD2 LEU 78 1HD2 LEU 78 1.237 3.474 3.404 625 2HD2 LEU 78 2HD2 LEU 78 2.760 3.821 2.583 626 3HD2 LEU 78 3HD2 LEU 78 1.538 2.823 1.793 627 H LYS 79 H LYS 79 4.838 0.067 6.502 628 HA LYS 79 HA LYS 79 6.772 -0.819 4.427 629 1HB LYS 79 1HB LYS 79 6.094 -2.087 7.092 630 2HB LYS 79 2HB LYS 79 7.594 -2.235 6.176 631 1HG LYS 79 1HG LYS 79 7.906 0.261 6.469 632 2HG LYS 79 2HG LYS 79 6.545 0.228 7.590 633 1HD LYS 79 1HD LYS 79 8.610 -1.822 8.098 634 2HD LYS 79 2HD LYS 79 9.145 -0.158 8.337 635 1HE LYS 79 1HE LYS 79 6.472 -0.795 9.462 636 2HE LYS 79 2HE LYS 79 7.853 -1.571 10.265 637 1HZ LYS 79 1HZ LYS 79 8.968 0.632 10.232 638 2HZ LYS 79 2HZ LYS 79 7.515 1.323 9.684 639 3HZ LYS 79 3HZ LYS 79 7.580 0.590 11.213 640 H CYS 80 H CYS 80 6.630 -3.004 3.554 641 HA CYS 80 HA CYS 80 4.195 -4.590 4.016 642 1HB CYS 80 1HB CYS 80 4.227 -2.511 2.114 643 2HB CYS 80 2HB CYS 80 4.391 -3.998 1.181 644 HG CYS 80 HG CYS 80 1.881 -3.906 1.498 645 H THR 81 H THR 81 4.730 -6.722 3.686 646 HA THR 81 HA THR 81 7.349 -7.343 2.436 647 HB THR 81 HB THR 81 5.408 -9.273 3.705 648 HG1 THR 81 HG1 THR 81 5.627 -8.276 5.519 649 1HG2 THR 81 1HG2 THR 81 7.648 -10.193 4.532 650 2HG2 THR 81 2HG2 THR 81 7.338 -10.332 2.802 651 3HG2 THR 81 3HG2 THR 81 8.406 -9.066 3.407 652 H VAL 82 H VAL 82 7.002 -7.274 0.181 653 HA VAL 82 HA VAL 82 4.642 -8.390 -1.093 654 HB VAL 82 HB VAL 82 7.390 -7.714 -2.190 655 1HG1 VAL 82 1HG1 VAL 82 4.656 -7.965 -3.478 656 2HG1 VAL 82 2HG1 VAL 82 6.076 -7.301 -4.287 657 3HG1 VAL 82 3HG1 VAL 82 6.061 -8.989 -3.776 658 1HG2 VAL 82 1HG2 VAL 82 4.928 -6.028 -1.670 659 2HG2 VAL 82 2HG2 VAL 82 6.558 -5.773 -1.047 660 3HG2 VAL 82 3HG2 VAL 82 6.220 -5.522 -2.760 661 H HIS 83 H HIS 83 4.431 -10.422 -2.091 662 HA HIS 83 HA HIS 83 6.755 -12.280 -2.060 663 1HB HIS 83 1HB HIS 83 5.391 -13.948 -0.832 664 2HB HIS 83 2HB HIS 83 5.607 -12.478 0.119 665 HD1 HIS 83 HD1 HIS 83 3.477 -11.831 1.222 666 HD2 HIS 83 HD2 HIS 83 2.795 -13.498 -2.537 667 HE1 HIS 83 HE1 HIS 83 0.972 -11.771 0.857 668 H LEU 84 H LEU 84 6.310 -14.229 -3.383 669 HA LEU 84 HA LEU 84 4.364 -13.636 -5.564 670 1HB LEU 84 1HB LEU 84 7.020 -14.826 -5.274 671 2HB LEU 84 2HB LEU 84 5.949 -15.821 -6.261 672 HG LEU 84 HG LEU 84 5.382 -13.791 -7.608 673 1HD1 LEU 84 1HD1 LEU 84 7.272 -12.587 -5.622 674 2HD1 LEU 84 2HD1 LEU 84 7.273 -11.956 -7.269 675 3HD1 LEU 84 3HD1 LEU 84 5.793 -11.914 -6.310 676 1HD2 LEU 84 1HD2 LEU 84 7.231 -15.415 -8.213 677 2HD2 LEU 84 2HD2 LEU 84 7.432 -13.796 -8.883 678 3HD2 LEU 84 3HD2 LEU 84 8.369 -14.290 -7.473 679 H ALA 85 H ALA 85 2.584 -14.946 -5.857 680 HA ALA 85 HA ALA 85 2.520 -17.603 -4.484 681 1HB ALA 85 1HB ALA 85 1.459 -15.607 -3.217 682 2HB ALA 85 2HB ALA 85 0.208 -15.658 -4.459 683 3HB ALA 85 3HB ALA 85 0.472 -17.055 -3.415 684 H ASN 86 H ASN 86 2.159 -19.035 -6.137 685 HA ASN 86 HA ASN 86 1.130 -20.022 -8.024 686 1HB ASN 86 1HB ASN 86 -0.859 -19.258 -6.630 687 2HB ASN 86 2HB ASN 86 -0.908 -17.811 -7.639 688 1HD2 ASN 86 2HD2 ASN 86 -3.073 -19.707 -7.606 689 2HD2 ASN 86 1HD2 ASN 86 -3.151 -20.446 -9.133 690 H GLY 87 H GLY 87 2.963 -17.554 -8.192 691 1HA GLY 87 1HA GLY 87 3.935 -16.497 -10.076 692 2HA GLY 87 2HA GLY 87 2.635 -17.152 -11.073 693 H LYS 88 H LYS 88 2.506 -15.084 -8.165 694 HA LYS 88 HA LYS 88 1.622 -12.759 -9.726 695 1HB LYS 88 1HB LYS 88 -0.261 -14.404 -8.008 696 2HB LYS 88 2HB LYS 88 -0.644 -12.791 -8.611 697 1HG LYS 88 1HG LYS 88 -0.154 -13.679 -10.946 698 2HG LYS 88 2HG LYS 88 -0.121 -15.292 -10.232 699 1HD LYS 88 1HD LYS 88 -2.442 -13.353 -10.321 700 2HD LYS 88 2HD LYS 88 -2.356 -14.970 -11.021 701 1HE LYS 88 1HE LYS 88 -2.500 -16.026 -8.907 702 2HE LYS 88 2HE LYS 88 -2.054 -14.542 -8.042 703 1HZ LYS 88 1HZ LYS 88 -4.082 -13.502 -8.904 704 2HZ LYS 88 2HZ LYS 88 -4.528 -14.966 -9.634 705 3HZ LYS 88 3HZ LYS 88 -4.437 -14.857 -7.942 706 H LEU 89 H LEU 89 2.638 -11.135 -8.615 707 HA LEU 89 HA LEU 89 3.620 -11.329 -5.942 708 1HB LEU 89 1HB LEU 89 4.240 -9.769 -7.899 709 2HB LEU 89 2HB LEU 89 2.867 -8.784 -7.393 710 HG LEU 89 HG LEU 89 4.569 -9.552 -5.145 711 1HD1 LEU 89 1HD1 LEU 89 5.776 -8.351 -7.591 712 2HD1 LEU 89 2HD1 LEU 89 6.231 -7.638 -6.043 713 3HD1 LEU 89 3HD1 LEU 89 6.522 -9.351 -6.345 714 1HD2 LEU 89 1HD2 LEU 89 3.180 -7.166 -6.264 715 2HD2 LEU 89 2HD2 LEU 89 3.178 -7.798 -4.618 716 3HD2 LEU 89 3HD2 LEU 89 4.551 -6.855 -5.199 717 H VAL 90 H VAL 90 2.643 -10.886 -3.980 718 HA VAL 90 HA VAL 90 0.041 -9.436 -3.949 719 HB VAL 90 HB VAL 90 0.598 -12.232 -2.913 720 1HG1 VAL 90 1HG1 VAL 90 -1.486 -10.219 -2.216 721 2HG1 VAL 90 2HG1 VAL 90 -2.027 -11.882 -2.443 722 3HG1 VAL 90 3HG1 VAL 90 -0.798 -11.512 -1.233 723 1HG2 VAL 90 1HG2 VAL 90 -0.916 -11.039 -5.190 724 2HG2 VAL 90 2HG2 VAL 90 -0.050 -12.572 -5.097 725 3HG2 VAL 90 3HG2 VAL 90 -1.651 -12.420 -4.375 726 H THR 91 H THR 91 0.239 -7.899 -2.372 727 HA THR 91 HA THR 91 1.993 -8.510 -0.013 728 HB THR 91 HB THR 91 2.824 -6.775 -1.586 729 HG1 THR 91 HG1 THR 91 3.450 -6.309 0.416 730 1HG2 THR 91 1HG2 THR 91 0.927 -4.706 -0.940 731 2HG2 THR 91 2HG2 THR 91 1.416 -5.300 -2.528 732 3HG2 THR 91 3HG2 THR 91 0.085 -6.075 -1.669 733 H LYS 92 H LYS 92 0.473 -9.123 1.541 734 HA LYS 92 HA LYS 92 -2.047 -7.581 1.815 735 1HB LYS 92 1HB LYS 92 -2.586 -9.396 3.401 736 2HB LYS 92 2HB LYS 92 -1.999 -10.061 1.875 737 1HG LYS 92 1HG LYS 92 0.279 -10.249 2.867 738 2HG LYS 92 2HG LYS 92 -0.370 -9.676 4.404 739 1HD LYS 92 1HD LYS 92 -1.740 -11.603 4.666 740 2HD LYS 92 2HD LYS 92 -1.521 -12.081 2.981 741 1HE LYS 92 1HE LYS 92 0.835 -12.593 3.383 742 2HE LYS 92 2HE LYS 92 0.704 -12.004 5.052 743 1HZ LYS 92 1HZ LYS 92 -1.056 -14.120 3.953 744 2HZ LYS 92 2HZ LYS 92 0.399 -14.470 4.758 745 3HZ LYS 92 3HZ LYS 92 -0.859 -13.673 5.577 746 H SER 93 H SER 93 -2.603 -6.561 3.853 747 HA SER 93 HA SER 93 -0.356 -6.142 5.777 748 1HB SER 93 1HB SER 93 -0.613 -4.385 3.870 749 2HB SER 93 2HB SER 93 -2.051 -3.869 4.745 750 HG SER 93 HG SER 93 0.508 -4.163 5.934 751 H GLU 94 H GLU 94 -1.742 -4.139 7.270 752 HA GLU 94 HA GLU 94 -3.992 -5.775 8.381 753 1HB GLU 94 1HB GLU 94 -1.875 -3.956 9.481 754 2HB GLU 94 2HB GLU 94 -3.386 -4.128 10.375 755 1HG GLU 94 1HG GLU 94 -3.037 -6.669 10.130 756 2HG GLU 94 2HG GLU 94 -1.383 -6.272 9.662 757 H LYS 95 H LYS 95 -4.224 -3.835 6.119 758 HA LYS 95 HA LYS 95 -6.593 -2.438 6.979 759 1HB LYS 95 1HB LYS 95 -5.706 -0.182 7.075 760 2HB LYS 95 2HB LYS 95 -4.735 -1.187 8.152 761 1HG LYS 95 1HG LYS 95 -3.457 -1.465 5.705 762 2HG LYS 95 2HG LYS 95 -3.940 0.231 5.719 763 1HD LYS 95 1HD LYS 95 -1.985 0.466 6.890 764 2HD LYS 95 2HD LYS 95 -3.016 0.014 8.247 765 1HE LYS 95 1HE LYS 95 -1.957 -1.984 8.513 766 2HE LYS 95 2HE LYS 95 -1.959 -2.303 6.766 767 1HZ LYS 95 1HZ LYS 95 -0.175 -0.372 8.153 768 2HZ LYS 95 2HZ LYS 95 0.294 -1.907 7.607 769 3HZ LYS 95 3HZ LYS 95 -0.174 -0.716 6.489 770 H PHE 96 H PHE 96 -4.688 -3.730 4.665 771 HA PHE 96 HA PHE 96 -6.339 -2.952 2.462 772 1HB PHE 96 1HB PHE 96 -4.966 -1.302 1.390 773 2HB PHE 96 2HB PHE 96 -5.100 -0.797 3.075 774 HD1 PHE 96 HD1 PHE 96 -2.979 -3.245 1.166 775 HD2 PHE 96 HD2 PHE 96 -3.112 0.015 3.960 776 HE1 PHE 96 HE1 PHE 96 -0.512 -3.340 1.395 777 HE2 PHE 96 HE2 PHE 96 -0.644 -0.081 4.188 778 HZ PHE 96 HZ PHE 96 0.656 -1.758 2.905 779 H SER 97 H SER 97 -5.780 -4.160 0.592 780 HA SER 97 HA SER 97 -3.321 -5.867 0.835 781 1HB SER 97 1HB SER 97 -5.258 -7.199 1.321 782 2HB SER 97 2HB SER 97 -6.161 -6.490 -0.015 783 HG SER 97 HG SER 97 -5.438 -8.318 -0.887 784 H HIS 98 H HIS 98 -2.424 -6.546 -1.261 785 HA HIS 98 HA HIS 98 -3.368 -4.985 -3.625 786 1HB HIS 98 1HB HIS 98 -1.589 -3.751 -2.358 787 2HB HIS 98 2HB HIS 98 -0.509 -5.121 -2.617 788 HD2 HIS 98 HD2 HIS 98 -1.551 -1.914 -4.449 789 HE1 HIS 98 HE1 HIS 98 0.237 -4.394 -7.378 790 HE2 HIS 98 HE2 HIS 98 -0.604 -2.077 -6.855 791 H GLU 99 H GLU 99 -2.941 -6.044 -5.605 792 HA GLU 99 HA GLU 99 -1.219 -8.438 -5.668 793 1HB GLU 99 1HB GLU 99 -4.240 -8.474 -5.811 794 2HB GLU 99 2HB GLU 99 -3.263 -9.785 -6.474 795 1HG GLU 99 1HG GLU 99 -2.103 -9.782 -4.138 796 2HG GLU 99 2HG GLU 99 -3.536 -8.902 -3.609 797 H GLN 100 H GLN 100 -0.256 -8.405 -7.661 798 HA GLN 100 HA GLN 100 -1.779 -7.199 -9.949 799 1HB GLN 100 1HB GLN 100 -0.008 -5.725 -9.071 800 2HB GLN 100 2HB GLN 100 1.171 -7.024 -9.254 801 1HG GLN 100 1HG GLN 100 0.910 -7.024 -11.653 802 2HG GLN 100 2HG GLN 100 -0.451 -5.905 -11.553 803 1HE2 GLN 100 2HE2 GLN 100 0.651 -4.245 -12.812 804 2HE2 GLN 100 1HE2 GLN 100 1.961 -3.372 -12.175 805 H GLU 101 H GLU 101 -1.064 -8.053 -12.086 806 HA GLU 101 HA GLU 101 0.551 -10.513 -12.136 807 1HB GLU 101 1HB GLU 101 -1.848 -11.002 -11.283 808 2HB GLU 101 2HB GLU 101 -2.357 -10.675 -12.941 809 1HG GLU 101 1HG GLU 101 -0.079 -12.567 -12.484 810 2HG GLU 101 2HG GLU 101 -1.724 -13.136 -12.203 811 H VAL 102 H VAL 102 1.098 -11.101 -14.310 812 HA VAL 102 HA VAL 102 0.271 -9.093 -16.382 813 HB VAL 102 HB VAL 102 2.653 -9.095 -15.549 814 1HG1 VAL 102 1HG1 VAL 102 2.322 -11.886 -15.843 815 2HG1 VAL 102 2HG1 VAL 102 3.491 -11.403 -17.072 816 3HG1 VAL 102 3HG1 VAL 102 3.792 -11.030 -15.375 817 1HG2 VAL 102 1HG2 VAL 102 2.218 -9.903 -18.443 818 2HG2 VAL 102 2HG2 VAL 102 2.105 -8.264 -17.799 819 3HG2 VAL 102 3HG2 VAL 102 3.658 -9.099 -17.819 820 H LYS 103 H LYS 103 -0.407 -9.904 -18.387 821 HA LYS 103 HA LYS 103 -0.364 -12.879 -18.752 822 1HB LYS 103 1HB LYS 103 -2.621 -10.919 -18.657 823 2HB LYS 103 2HB LYS 103 -2.748 -12.254 -19.804 824 1HG LYS 103 1HG LYS 103 -2.148 -13.800 -17.859 825 2HG LYS 103 2HG LYS 103 -2.422 -12.414 -16.802 826 1HD LYS 103 1HD LYS 103 -4.714 -12.184 -17.720 827 2HD LYS 103 2HD LYS 103 -4.439 -13.605 -18.728 828 1HE LYS 103 1HE LYS 103 -3.845 -14.805 -16.487 829 2HE LYS 103 2HE LYS 103 -4.707 -13.452 -15.727 830 1HZ LYS 103 1HZ LYS 103 -6.571 -13.863 -17.231 831 2HZ LYS 103 2HZ LYS 103 -5.759 -15.198 -17.891 832 3HZ LYS 103 3HZ LYS 103 -6.252 -15.222 -16.264 833 H GLY 104 H GLY 104 1.328 -12.607 -20.342 834 1HA GLY 104 1HA GLY 104 1.905 -12.552 -22.643 835 2HA GLY 104 2HA GLY 104 0.327 -11.844 -22.991 836 H ASN 105 H ASN 105 0.248 -9.671 -23.377 837 HA ASN 105 HA ASN 105 2.723 -8.083 -22.778 838 1HB ASN 105 1HB ASN 105 2.120 -6.812 -24.783 839 2HB ASN 105 2HB ASN 105 2.144 -8.533 -25.171 840 1HD2 ASN 105 2HD2 ASN 105 0.361 -5.865 -25.822 841 2HD2 ASN 105 1HD2 ASN 105 -1.186 -6.552 -25.948 842 H GLU 106 H GLU 106 -0.190 -8.579 -21.468 843 HA GLU 106 HA GLU 106 -0.708 -5.668 -20.947 844 1HB GLU 106 1HB GLU 106 -2.504 -8.108 -21.047 845 2HB GLU 106 2HB GLU 106 -3.046 -6.539 -20.453 846 1HG GLU 106 1HG GLU 106 -2.668 -5.500 -22.578 847 2HG GLU 106 2HG GLU 106 -1.795 -6.909 -23.183 848 H MET 107 H MET 107 -1.473 -5.200 -18.718 849 HA MET 107 HA MET 107 -0.601 -7.246 -16.706 850 1HB MET 107 1HB MET 107 0.491 -4.652 -17.371 851 2HB MET 107 2HB MET 107 -0.087 -4.649 -15.706 852 1HG MET 107 1HG MET 107 1.149 -7.044 -15.727 853 2HG MET 107 2HG MET 107 2.121 -6.211 -16.941 854 1HE MET 107 1HE MET 107 3.704 -7.073 -15.362 855 2HE MET 107 2HE MET 107 4.589 -5.910 -14.380 856 3HE MET 107 3HE MET 107 3.411 -6.995 -13.627 857 H VAL 108 H VAL 108 -1.960 -7.395 -14.911 858 HA VAL 108 HA VAL 108 -4.221 -5.426 -14.750 859 HB VAL 108 HB VAL 108 -4.208 -8.435 -14.349 860 1HG1 VAL 108 1HG1 VAL 108 -6.409 -6.365 -14.113 861 2HG1 VAL 108 2HG1 VAL 108 -6.702 -8.103 -14.196 862 3HG1 VAL 108 3HG1 VAL 108 -5.805 -7.424 -12.838 863 1HG2 VAL 108 1HG2 VAL 108 -4.066 -7.540 -16.723 864 2HG2 VAL 108 2HG2 VAL 108 -5.483 -8.534 -16.389 865 3HG2 VAL 108 3HG2 VAL 108 -5.632 -6.778 -16.449 866 H GLU 109 H GLU 109 -4.260 -4.423 -12.779 867 HA GLU 109 HA GLU 109 -2.863 -5.751 -10.484 868 1HB GLU 109 1HB GLU 109 -3.353 -2.907 -11.357 869 2HB GLU 109 2HB GLU 109 -2.939 -3.266 -9.681 870 1HG GLU 109 1HG GLU 109 -0.859 -4.286 -10.328 871 2HG GLU 109 2HG GLU 109 -1.302 -4.236 -12.035 872 H THR 110 H THR 110 -4.165 -6.440 -8.832 873 HA THR 110 HA THR 110 -6.930 -5.288 -8.642 874 HB THR 110 HB THR 110 -6.880 -7.620 -9.358 875 HG1 THR 110 HG1 THR 110 -8.471 -7.060 -7.838 876 1HG2 THR 110 1HG2 THR 110 -5.825 -8.949 -7.088 877 2HG2 THR 110 2HG2 THR 110 -5.167 -8.925 -8.724 878 3HG2 THR 110 3HG2 THR 110 -4.650 -7.717 -7.548 879 H ILE 111 H ILE 111 -7.140 -4.033 -6.833 880 HA ILE 111 HA ILE 111 -5.601 -4.822 -4.379 881 HB ILE 111 HB ILE 111 -6.300 -2.054 -5.414 882 1HG1 ILE 111 1HG1 ILE 111 -3.615 -3.464 -5.299 883 2HG1 ILE 111 2HG1 ILE 111 -4.583 -3.290 -6.764 884 1HG2 ILE 111 1HG2 ILE 111 -6.121 -2.300 -2.922 885 2HG2 ILE 111 2HG2 ILE 111 -4.475 -2.893 -3.142 886 3HG2 ILE 111 3HG2 ILE 111 -4.888 -1.245 -3.610 887 1HD1 ILE 111 1HD1 ILE 111 -4.509 -0.822 -6.495 888 2HD1 ILE 111 2HD1 ILE 111 -3.482 -1.024 -5.075 889 3HD1 ILE 111 3HD1 ILE 111 -2.896 -1.514 -6.665 890 H THR 112 H THR 112 -6.878 -5.083 -2.576 891 HA THR 112 HA THR 112 -9.739 -4.216 -2.764 892 HB THR 112 HB THR 112 -8.417 -6.317 -1.020 893 HG1 THR 112 HG1 THR 112 -8.608 -7.617 -2.649 894 1HG2 THR 112 1HG2 THR 112 -10.988 -7.069 -1.250 895 2HG2 THR 112 2HG2 THR 112 -10.430 -5.992 0.030 896 3HG2 THR 112 3HG2 THR 112 -11.193 -5.325 -1.413 897 H PHE 113 H PHE 113 -10.461 -2.718 -1.283 898 HA PHE 113 HA PHE 113 -9.088 -2.375 1.308 899 1HB PHE 113 1HB PHE 113 -7.813 -1.093 -0.465 900 2HB PHE 113 2HB PHE 113 -9.262 -0.115 -0.708 901 HD1 PHE 113 HD1 PHE 113 -10.306 0.953 1.450 902 HD2 PHE 113 HD2 PHE 113 -6.258 -0.455 1.165 903 HE1 PHE 113 HE1 PHE 113 -9.677 2.373 3.383 904 HE2 PHE 113 HE2 PHE 113 -5.629 0.964 3.098 905 HZ PHE 113 HZ PHE 113 -7.337 2.378 4.208 906 H GLY 114 H GLY 114 -10.678 -1.943 2.787 907 1HA GLY 114 1HA GLY 114 -12.690 -1.145 3.700 908 2HA GLY 114 2HA GLY 114 -12.780 -0.027 2.339 909 H GLY 115 H GLY 115 -12.613 -3.555 2.095 910 1HA GLY 115 1HA GLY 115 -14.198 -5.104 1.307 911 2HA GLY 115 2HA GLY 115 -15.452 -3.924 1.690 912 H VAL 116 H VAL 116 -13.100 -2.489 -0.229 913 HA VAL 116 HA VAL 116 -14.808 -2.872 -2.662 914 HB VAL 116 HB VAL 116 -12.930 -0.636 -1.827 915 1HG1 VAL 116 1HG1 VAL 116 -14.792 -0.997 -4.188 916 2HG1 VAL 116 2HG1 VAL 116 -14.157 0.574 -3.699 917 3HG1 VAL 116 3HG1 VAL 116 -13.054 -0.697 -4.223 918 1HG2 VAL 116 1HG2 VAL 116 -15.855 -1.149 -1.480 919 2HG2 VAL 116 2HG2 VAL 116 -14.728 -0.316 -0.410 920 3HG2 VAL 116 3HG2 VAL 116 -15.350 0.502 -1.843 921 H THR 117 H THR 117 -13.808 -3.536 -4.575 922 HA THR 117 HA THR 117 -10.872 -4.139 -4.406 923 HB THR 117 HB THR 117 -13.094 -5.514 -5.953 924 HG1 THR 117 HG1 THR 117 -11.672 -6.330 -3.641 925 1HG2 THR 117 1HG2 THR 117 -11.376 -7.272 -6.299 926 2HG2 THR 117 2HG2 THR 117 -10.907 -5.739 -7.033 927 3HG2 THR 117 3HG2 THR 117 -10.186 -6.241 -5.504 928 H LEU 118 H LEU 118 -9.616 -3.135 -5.936 929 HA LEU 118 HA LEU 118 -11.009 -1.762 -8.207 930 1HB LEU 118 1HB LEU 118 -9.865 -0.287 -6.650 931 2HB LEU 118 2HB LEU 118 -8.398 -1.261 -6.744 932 HG LEU 118 HG LEU 118 -8.259 -0.739 -9.183 933 1HD1 LEU 118 1HD1 LEU 118 -10.695 0.898 -8.475 934 2HD1 LEU 118 2HD1 LEU 118 -9.681 1.310 -9.857 935 3HD1 LEU 118 3HD1 LEU 118 -10.495 -0.253 -9.795 936 1HD2 LEU 118 1HD2 LEU 118 -7.302 0.696 -7.170 937 2HD2 LEU 118 2HD2 LEU 118 -7.189 1.297 -8.824 938 3HD2 LEU 118 3HD2 LEU 118 -8.458 1.892 -7.754 939 H ILE 119 H ILE 119 -10.176 -2.051 -10.321 940 HA ILE 119 HA ILE 119 -8.055 -4.156 -10.613 941 HB ILE 119 HB ILE 119 -10.574 -3.661 -12.235 942 1HG1 ILE 119 1HG1 ILE 119 -9.831 -6.023 -10.485 943 2HG1 ILE 119 2HG1 ILE 119 -10.846 -4.687 -9.936 944 1HG2 ILE 119 1HG2 ILE 119 -8.478 -4.547 -13.441 945 2HG2 ILE 119 2HG2 ILE 119 -8.676 -6.001 -12.463 946 3HG2 ILE 119 3HG2 ILE 119 -9.946 -5.512 -13.584 947 1HD1 ILE 119 1HD1 ILE 119 -11.508 -6.159 -12.479 948 2HD1 ILE 119 2HD1 ILE 119 -12.005 -6.809 -10.916 949 3HD1 ILE 119 3HD1 ILE 119 -12.576 -5.222 -11.433 950 H ARG 120 H ARG 120 -6.327 -2.773 -11.147 951 HA ARG 120 HA ARG 120 -6.733 -0.666 -13.197 952 1HB ARG 120 1HB ARG 120 -4.647 -1.475 -11.198 953 2HB ARG 120 2HB ARG 120 -4.161 -0.467 -12.562 954 1HG ARG 120 1HG ARG 120 -6.496 0.747 -11.723 955 2HG ARG 120 2HG ARG 120 -5.763 0.232 -10.204 956 1HD ARG 120 1HD ARG 120 -4.316 1.816 -12.358 957 2HD ARG 120 2HD ARG 120 -4.981 2.504 -10.864 958 HE ARG 120 HE ARG 120 -3.444 0.364 -9.991 959 1HH1 ARG 120 1HH1 ARG 120 -3.064 3.598 -10.395 960 2HH1 ARG 120 2HH1 ARG 120 -1.351 3.582 -10.648 961 1HH2 ARG 120 1HH2 ARG 120 -1.165 0.136 -10.986 962 2HH2 ARG 120 2HH2 ARG 120 -0.275 1.622 -10.982 963 H ARG 121 H ARG 121 -6.460 -1.221 -15.321 964 HA ARG 121 HA ARG 121 -4.815 -3.618 -15.992 965 1HB ARG 121 1HB ARG 121 -7.045 -2.042 -17.243 966 2HB ARG 121 2HB ARG 121 -6.005 -3.018 -18.281 967 1HG ARG 121 1HG ARG 121 -6.460 -4.986 -16.797 968 2HG ARG 121 2HG ARG 121 -7.613 -3.993 -15.905 969 1HD ARG 121 1HD ARG 121 -8.923 -3.643 -17.978 970 2HD ARG 121 2HD ARG 121 -7.772 -4.658 -18.868 971 HE ARG 121 HE ARG 121 -9.133 -5.768 -16.455 972 1HH1 ARG 121 1HH1 ARG 121 -9.919 -5.441 -19.645 973 2HH1 ARG 121 2HH1 ARG 121 -9.955 -7.131 -20.021 974 1HH2 ARG 121 1HH2 ARG 121 -8.540 -8.101 -17.007 975 2HH2 ARG 121 2HH2 ARG 121 -9.175 -8.638 -18.527 976 H SER 122 H SER 122 -2.786 -3.288 -16.810 977 HA SER 122 HA SER 122 -2.189 -0.636 -18.085 978 1HB SER 122 1HB SER 122 -0.477 -2.429 -16.336 979 2HB SER 122 2HB SER 122 0.083 -0.942 -17.096 980 HG SER 122 HG SER 122 -0.587 -0.300 -15.133 981 H LYS 123 H LYS 123 -0.541 -0.740 -19.792 982 HA LYS 123 HA LYS 123 -0.321 -3.463 -21.038 983 1HB LYS 123 1HB LYS 123 -1.781 -1.525 -22.033 984 2HB LYS 123 2HB LYS 123 -0.230 -0.851 -22.535 985 1HG LYS 123 1HG LYS 123 0.309 -2.909 -23.745 986 2HG LYS 123 2HG LYS 123 -1.194 -3.651 -23.192 987 1HD LYS 123 1HD LYS 123 -2.314 -1.541 -24.285 988 2HD LYS 123 2HD LYS 123 -0.801 -1.437 -25.186 989 1HE LYS 123 1HE LYS 123 -1.686 -4.178 -25.187 990 2HE LYS 123 2HE LYS 123 -3.009 -3.133 -25.746 991 1HZ LYS 123 1HZ LYS 123 -1.314 -1.965 -27.136 992 2HZ LYS 123 2HZ LYS 123 -0.216 -3.198 -26.750 993 3HZ LYS 123 3HZ LYS 123 -1.631 -3.563 -27.616 994 H ARG 124 H ARG 124 1.682 -3.821 -22.269 995 HA ARG 124 HA ARG 124 4.019 -2.576 -20.978 996 1HB ARG 124 1HB ARG 124 3.759 -5.023 -21.436 997 2HB ARG 124 2HB ARG 124 3.785 -4.668 -23.164 998 1HG ARG 124 1HG ARG 124 6.028 -3.656 -22.919 999 2HG ARG 124 2HG ARG 124 6.007 -4.041 -21.197 1000 1HD ARG 124 1HD ARG 124 5.787 -6.460 -21.756 1001 2HD ARG 124 2HD ARG 124 5.902 -6.047 -23.478 1002 HE ARG 124 HE ARG 124 8.148 -5.004 -22.909 1003 1HH1 ARG 124 1HH1 ARG 124 7.445 -8.109 -22.201 1004 2HH1 ARG 124 2HH1 ARG 124 8.591 -8.311 -20.918 1005 1HH2 ARG 124 1HH2 ARG 124 9.310 -4.928 -20.673 1006 2HH2 ARG 124 2HH2 ARG 124 9.646 -6.509 -20.053 1007 H VAL 125 HN VAL 125 5.354 -1.068 -21.955 1008 HA VAL 125 HA VAL 125 4.674 -0.261 -24.765 1009 HB VAL 125 HB VAL 125 5.453 1.982 -24.012 1010 1HG1 VAL 125 1HG1 VAL 125 3.336 0.601 -22.344 1011 2HG1 VAL 125 2HG1 VAL 125 3.604 2.344 -22.310 1012 3HG1 VAL 125 3HG1 VAL 125 3.097 1.559 -23.805 1013 1HG2 VAL 125 1HG2 VAL 125 7.015 0.953 -22.256 1014 2HG2 VAL 125 2HG2 VAL 125 6.109 2.380 -21.748 1015 3HG2 VAL 125 3HG2 VAL 125 5.585 0.774 -21.240 1016 1H1 JN3 130 1H1 JN3 130 -3.818 1.932 -7.381 1017 2H1 JN3 130 2H1 JN3 130 -3.335 3.241 -8.513 1018 1H2 JN3 130 1H2 JN3 130 -1.101 3.207 -7.620 1019 2H2 JN3 130 2H2 JN3 130 -1.596 1.583 -8.235 1020 H3 JN3 130 H3 JN3 130 -2.172 0.850 -5.850 1021 HO3 JN3 130 HO3 JN3 130 0.121 1.374 -4.848 1022 1H4 JN3 130 1H4 JN3 130 -1.199 3.628 -5.039 1023 2H4 JN3 130 2H4 JN3 130 -1.705 2.344 -3.924 1024 H5 JN3 130 H5 JN3 130 -4.070 2.398 -5.000 1025 1H6 JN3 130 1H6 JN3 130 -3.669 3.846 -2.984 1026 2H6 JN3 130 2H6 JN3 130 -4.842 4.532 -4.096 1027 H7 JN3 130 H7 JN3 130 -3.231 6.243 -3.264 1028 HO7 JN3 130 HO7 JN3 130 -1.299 5.229 -2.956 1029 H8 JN3 130 H8 JN3 130 -4.249 6.532 -5.489 1030 H9 JN3 130 H9 JN3 130 -1.641 5.053 -6.514 1031 1H11 JN3 130 1H11 JN3 130 -3.989 6.258 -8.122 1032 2H11 JN3 130 2H11 JN3 130 -2.673 5.319 -8.831 1033 1H12 JN3 130 1H12 JN3 130 -2.182 7.731 -9.108 1034 2H12 JN3 130 2H12 JN3 130 -1.019 7.058 -7.963 1035 H14 JN3 130 H14 JN3 130 -1.255 7.439 -5.478 1036 1H15 JN3 130 1H15 JN3 130 -2.174 8.626 -3.636 1037 2H15 JN3 130 2H15 JN3 130 -3.722 8.872 -4.439 1038 1H16 JN3 130 1H16 JN3 130 -1.211 10.381 -4.764 1039 2H16 JN3 130 2H16 JN3 130 -2.856 10.783 -5.379 1040 H17 JN3 130 H17 JN3 130 -0.582 9.307 -6.832 1041 1H18 JN3 130 1H18 JN3 130 -4.415 9.474 -6.474 1042 2H18 JN3 130 2H18 JN3 130 -4.297 9.156 -8.221 1043 3H18 JN3 130 3H18 JN3 130 -4.742 7.843 -7.106 1044 1H19 JN3 130 1H19 JN3 130 -5.443 4.862 -6.000 1045 2H19 JN3 130 2H19 JN3 130 -5.270 4.491 -7.732 1046 3H19 JN3 130 3H19 JN3 130 -5.672 3.195 -6.581 1047 H20 JN3 130 H20 JN3 130 -2.595 11.358 -7.710 1048 1H21 JN3 130 1H21 JN3 130 -1.770 11.350 -9.934 1049 2H21 JN3 130 2H21 JN3 130 -0.850 9.861 -9.607 1050 3H21 JN3 130 3H21 JN3 130 -2.629 9.841 -9.545 1051 1H22 JN3 130 1H22 JN3 130 0.257 11.561 -8.463 1052 2H22 JN3 130 2H22 JN3 130 -0.049 11.517 -6.692 1053 1H23 JN3 130 1H23 JN3 130 -1.761 13.466 -7.271 1054 2H23 JN3 130 2H23 JN3 130 -0.771 13.655 -8.696 1055 1H1 JN3 131 1H1 JN3 131 4.855 -4.846 -4.517 1056 2H1 JN3 131 2H1 JN3 131 3.205 -4.854 -3.806 1057 1H2 JN3 131 1H2 JN3 131 2.363 -3.650 -5.713 1058 2H2 JN3 131 2H2 JN3 131 3.170 -5.190 -6.202 1059 H3 JN3 131 H3 JN3 131 5.303 -3.893 -6.779 1060 HO3 JN3 131 HO3 JN3 131 4.127 -2.231 -8.378 1061 1H4 JN3 131 1H4 JN3 131 3.704 -1.417 -5.982 1062 2H4 JN3 131 2H4 JN3 131 5.344 -1.415 -6.656 1063 H5 JN3 131 H5 JN3 131 6.149 -2.781 -4.595 1064 1H6 JN3 131 1H6 JN3 131 6.309 -0.275 -4.473 1065 2H6 JN3 131 2H6 JN3 131 6.022 -1.019 -2.908 1066 H7 JN3 131 H7 JN3 131 4.605 1.004 -3.255 1067 HO7 JN3 131 HO7 JN3 131 3.957 1.227 -5.296 1068 H8 JN3 131 H8 JN3 131 3.786 -0.801 -1.792 1069 H9 JN3 131 H9 JN3 131 2.362 -1.845 -4.424 1070 1H11 JN3 131 1H11 JN3 131 2.237 -2.950 -1.541 1071 2H11 JN3 131 2H11 JN3 131 1.510 -3.738 -2.942 1072 1H12 JN3 131 1H12 JN3 131 -0.231 -2.437 -1.759 1073 2H12 JN3 131 2H12 JN3 131 0.076 -1.661 -3.314 1074 H14 JN3 131 H14 JN3 131 1.464 0.441 -3.482 1075 1H15 JN3 131 1H15 JN3 131 2.477 2.347 -2.489 1076 2H15 JN3 131 2H15 JN3 131 2.834 1.500 -0.988 1077 1H16 JN3 131 1H16 JN3 131 0.296 2.716 -1.863 1078 2H16 JN3 131 2H16 JN3 131 0.740 2.083 -0.237 1079 H17 JN3 131 H17 JN3 131 -0.729 0.630 -2.515 1080 1H18 JN3 131 1H18 JN3 131 1.757 0.101 0.381 1081 2H18 JN3 131 2H18 JN3 131 0.837 -1.417 0.504 1082 3H18 JN3 131 3H18 JN3 131 2.456 -1.415 -0.235 1083 1H19 JN3 131 1H19 JN3 131 5.111 -2.453 -1.809 1084 2H19 JN3 131 2H19 JN3 131 4.192 -3.977 -1.763 1085 3H19 JN3 131 3H19 JN3 131 5.796 -3.928 -2.532 1086 H20 JN3 131 H20 JN3 131 -1.021 0.126 0.448 1087 1H21 JN3 131 1H21 JN3 131 -3.228 -0.617 -0.006 1088 2H21 JN3 131 2H21 JN3 131 -2.953 -0.424 -1.754 1089 3H21 JN3 131 3H21 JN3 131 -2.012 -1.620 -0.832 1090 1H22 JN3 131 1H22 JN3 131 -3.173 1.685 -0.759 1091 2H22 JN3 131 2H22 JN3 131 -1.589 2.523 -0.887 1092 1H23 JN3 131 1H23 JN3 131 -1.811 1.639 1.808 1093 2H23 JN3 131 2H23 JN3 131 -3.362 2.330 1.402 Start of MODEL 5 1 1H ALA 1 1H ALA 1 6.254 -11.006 -18.863 2 2H ALA 1 2H ALA 1 7.563 -12.058 -19.118 3 3H ALA 1 3H ALA 1 7.786 -10.377 -19.228 4 HA ALA 1 HA ALA 1 7.155 -11.919 -16.760 5 1HB ALA 1 1HB ALA 1 9.494 -11.686 -18.088 6 2HB ALA 1 2HB ALA 1 9.548 -10.188 -17.159 7 3HB ALA 1 3HB ALA 1 9.411 -11.737 -16.328 8 H PHE 2 H PHE 2 7.703 -10.291 -14.851 9 HA PHE 2 HA PHE 2 5.833 -8.075 -15.056 10 1HB PHE 2 1HB PHE 2 7.791 -9.096 -12.986 11 2HB PHE 2 2HB PHE 2 6.772 -7.685 -12.696 12 HD1 PHE 2 HD2 PHE 2 4.343 -7.894 -12.500 13 HD2 PHE 2 HD1 PHE 2 6.823 -11.332 -13.198 14 HE1 PHE 2 HE2 PHE 2 2.447 -9.381 -11.914 15 HE2 PHE 2 HE1 PHE 2 4.927 -12.819 -12.612 16 HZ PHE 2 HZ PHE 2 2.739 -11.843 -11.970 17 H SER 3 H SER 3 9.345 -8.423 -15.201 18 HA SER 3 HA SER 3 10.155 -5.743 -14.789 19 1HB SER 3 1HB SER 3 11.192 -7.957 -16.579 20 2HB SER 3 2HB SER 3 12.087 -6.475 -16.256 21 HG SER 3 HG SER 3 11.664 -8.675 -14.677 22 H GLY 4 H GLY 4 10.301 -3.951 -16.184 23 1HA GLY 4 1HA GLY 4 10.325 -3.304 -18.675 24 2HA GLY 4 2HA GLY 4 8.819 -4.219 -18.766 25 H THR 5 H THR 5 8.291 -1.843 -19.569 26 HA THR 5 HA THR 5 7.553 -0.132 -17.228 27 HB THR 5 HB THR 5 7.280 1.572 -19.121 28 HG1 THR 5 HG1 THR 5 8.346 0.930 -21.058 29 1HG2 THR 5 1HG2 THR 5 9.933 1.359 -19.575 30 2HG2 THR 5 2HG2 THR 5 9.268 1.962 -18.057 31 3HG2 THR 5 3HG2 THR 5 9.786 0.281 -18.187 32 H TRP 6 H TRP 6 5.398 0.079 -16.725 33 HA TRP 6 HA TRP 6 3.396 -0.944 -18.716 34 1HB TRP 6 1HB TRP 6 3.416 -0.982 -15.679 35 2HB TRP 6 2HB TRP 6 2.102 -1.592 -16.684 36 HD1 TRP 6 HD1 TRP 6 5.268 -2.634 -15.112 37 HE1 TRP 6 HE1 TRP 6 5.998 -4.948 -15.983 38 HE3 TRP 6 HE3 TRP 6 2.107 -3.115 -19.094 39 HZ2 TRP 6 HZ2 TRP 6 5.329 -6.764 -18.090 40 HZ3 TRP 6 HZ3 TRP 6 2.175 -5.146 -20.514 41 HH2 TRP 6 HH2 TRP 6 3.780 -6.969 -20.018 42 H GLN 7 H GLN 7 1.709 0.446 -19.208 43 HA GLN 7 HA GLN 7 1.570 3.023 -17.674 44 1HB GLN 7 1HB GLN 7 2.467 3.170 -19.984 45 2HB GLN 7 2HB GLN 7 0.989 2.424 -20.593 46 1HG GLN 7 1HG GLN 7 -0.342 4.293 -19.736 47 2HG GLN 7 2HG GLN 7 1.103 5.027 -19.041 48 1HE2 GLN 7 2HE2 GLN 7 -0.605 4.396 -22.072 49 2HE2 GLN 7 1HE2 GLN 7 0.377 5.387 -23.039 50 H VAL 8 H VAL 8 -0.272 2.970 -16.433 51 HA VAL 8 HA VAL 8 -2.504 1.241 -16.826 52 HB VAL 8 HB VAL 8 -2.354 3.945 -15.454 53 1HG1 VAL 8 1HG1 VAL 8 -4.177 1.545 -15.164 54 2HG1 VAL 8 2HG1 VAL 8 -4.054 2.804 -13.936 55 3HG1 VAL 8 3HG1 VAL 8 -4.632 3.204 -15.553 56 1HG2 VAL 8 1HG2 VAL 8 -1.445 1.181 -14.661 57 2HG2 VAL 8 2HG2 VAL 8 -0.572 2.707 -14.531 58 3HG2 VAL 8 3HG2 VAL 8 -1.910 2.360 -13.435 59 H TYR 9 H TYR 9 -4.340 1.462 -18.082 60 HA TYR 9 HA TYR 9 -4.876 4.107 -19.372 61 1HB TYR 9 1HB TYR 9 -5.171 2.894 -21.518 62 2HB TYR 9 2HB TYR 9 -3.537 2.688 -20.885 63 HD1 TYR 9 HD1 TYR 9 -6.920 1.075 -20.796 64 HD2 TYR 9 HD2 TYR 9 -2.662 0.532 -20.635 65 HE1 TYR 9 HE1 TYR 9 -7.234 -1.386 -20.782 66 HE2 TYR 9 HE2 TYR 9 -2.976 -1.927 -20.621 67 HH TYR 9 HH TYR 9 -6.180 -3.369 -20.359 68 H ALA 10 H ALA 10 -6.010 1.196 -17.914 69 HA ALA 10 HA ALA 10 -8.829 2.122 -18.290 70 1HB ALA 10 1HB ALA 10 -7.611 -0.602 -18.787 71 2HB ALA 10 2HB ALA 10 -9.344 -0.384 -18.550 72 3HB ALA 10 3HB ALA 10 -8.536 0.392 -19.912 73 H GLN 11 H GLN 11 -9.903 2.155 -16.346 74 HA GLN 11 HA GLN 11 -9.034 0.311 -14.171 75 1HB GLN 11 1HB GLN 11 -9.101 3.337 -14.136 76 2HB GLN 11 2HB GLN 11 -9.083 2.379 -12.656 77 1HG GLN 11 1HG GLN 11 -6.950 1.469 -13.134 78 2HG GLN 11 2HG GLN 11 -7.031 1.956 -14.828 79 1HE2 GLN 11 2HE2 GLN 11 -7.746 4.631 -14.693 80 2HE2 GLN 11 1HE2 GLN 11 -6.579 5.513 -13.832 81 H GLU 12 H GLU 12 -10.678 0.198 -12.429 82 HA GLU 12 HA GLU 12 -13.362 1.274 -13.197 83 1HB GLU 12 1HB GLU 12 -14.289 -0.976 -12.755 84 2HB GLU 12 2HB GLU 12 -13.070 -1.043 -14.028 85 1HG GLU 12 1HG GLU 12 -11.377 -1.719 -12.337 86 2HG GLU 12 2HG GLU 12 -12.639 -1.725 -11.104 87 H ASN 13 H ASN 13 -14.767 1.594 -11.380 88 HA ASN 13 HA ASN 13 -15.234 2.144 -9.128 89 1HB ASN 13 1HB ASN 13 -13.366 -0.218 -8.742 90 2HB ASN 13 2HB ASN 13 -14.530 0.380 -7.559 91 1HD2 ASN 13 2HD2 ASN 13 -16.901 0.429 -8.416 92 2HD2 ASN 13 1HD2 ASN 13 -17.378 -0.857 -9.415 93 H TYR 14 H TYR 14 -12.916 3.452 -10.438 94 HA TYR 14 HA TYR 14 -10.636 3.587 -8.720 95 1HB TYR 14 1HB TYR 14 -11.368 4.555 -11.148 96 2HB TYR 14 2HB TYR 14 -11.531 6.018 -10.176 97 HD1 TYR 14 HD1 TYR 14 -9.154 3.137 -10.590 98 HD2 TYR 14 HD2 TYR 14 -9.643 7.351 -9.914 99 HE1 TYR 14 HE1 TYR 14 -6.691 3.425 -10.606 100 HE2 TYR 14 HE2 TYR 14 -7.180 7.639 -9.931 101 HH TYR 14 HH TYR 14 -5.031 5.102 -9.639 102 H GLU 15 H GLU 15 -13.425 5.835 -8.964 103 HA GLU 15 HA GLU 15 -12.725 7.467 -6.736 104 1HB GLU 15 1HB GLU 15 -14.509 7.640 -8.669 105 2HB GLU 15 2HB GLU 15 -15.566 6.843 -7.503 106 1HG GLU 15 1HG GLU 15 -15.188 8.608 -5.875 107 2HG GLU 15 2HG GLU 15 -13.994 9.371 -6.926 108 H GLU 16 H GLU 16 -15.096 4.774 -6.892 109 HA GLU 16 HA GLU 16 -15.865 4.662 -4.206 110 1HB GLU 16 1HB GLU 16 -15.396 2.585 -6.347 111 2HB GLU 16 2HB GLU 16 -16.039 2.133 -4.767 112 1HG GLU 16 1HG GLU 16 -17.820 3.906 -5.098 113 2HG GLU 16 2HG GLU 16 -17.252 4.062 -6.761 114 H PHE 17 H PHE 17 -13.180 2.775 -5.667 115 HA PHE 17 HA PHE 17 -12.149 1.638 -3.304 116 1HB PHE 17 1HB PHE 17 -11.480 1.066 -5.606 117 2HB PHE 17 2HB PHE 17 -10.722 2.648 -5.788 118 HD1 PHE 17 HD1 PHE 17 -8.762 3.262 -4.324 119 HD2 PHE 17 HD2 PHE 17 -10.366 -0.721 -4.483 120 HE1 PHE 17 HE1 PHE 17 -6.677 2.382 -3.309 121 HE2 PHE 17 HE2 PHE 17 -8.282 -1.600 -3.468 122 HZ PHE 17 HZ PHE 17 -6.437 -0.049 -2.881 123 H LEU 18 H LEU 18 -11.262 4.755 -4.831 124 HA LEU 18 HA LEU 18 -9.292 5.547 -2.931 125 1HB LEU 18 1HB LEU 18 -10.973 6.722 -5.052 126 2HB LEU 18 2HB LEU 18 -10.453 7.875 -3.823 127 HG LEU 18 HG LEU 18 -8.796 7.774 -5.626 128 1HD1 LEU 18 1HD1 LEU 18 -8.170 7.923 -3.111 129 2HD1 LEU 18 2HD1 LEU 18 -7.610 6.262 -3.302 130 3HD1 LEU 18 3HD1 LEU 18 -6.884 7.553 -4.260 131 1HD2 LEU 18 1HD2 LEU 18 -9.141 4.853 -5.151 132 2HD2 LEU 18 2HD2 LEU 18 -8.835 5.719 -6.657 133 3HD2 LEU 18 3HD2 LEU 18 -7.511 5.404 -5.535 134 H LYS 19 H LYS 19 -12.818 6.107 -3.001 135 HA LYS 19 HA LYS 19 -13.075 7.825 -0.781 136 1HB LYS 19 1HB LYS 19 -14.743 5.692 -2.085 137 2HB LYS 19 2HB LYS 19 -15.333 6.464 -0.612 138 1HG LYS 19 1HG LYS 19 -15.122 8.674 -1.654 139 2HG LYS 19 2HG LYS 19 -14.468 7.937 -3.118 140 1HD LYS 19 1HD LYS 19 -16.561 6.713 -3.471 141 2HD LYS 19 2HD LYS 19 -17.219 7.374 -1.973 142 1HE LYS 19 1HE LYS 19 -17.222 9.616 -2.866 143 2HE LYS 19 2HE LYS 19 -16.302 9.104 -4.295 144 1HZ LYS 19 1HZ LYS 19 -18.921 7.932 -3.539 145 2HZ LYS 19 2HZ LYS 19 -18.768 9.226 -4.629 146 3HZ LYS 19 3HZ LYS 19 -18.075 7.718 -4.994 147 H ALA 20 H ALA 20 -12.744 4.284 -0.870 148 HA ALA 20 HA ALA 20 -13.203 3.862 1.952 149 1HB ALA 20 1HB ALA 20 -13.304 2.231 -0.032 150 2HB ALA 20 2HB ALA 20 -11.544 2.172 0.066 151 3HB ALA 20 3HB ALA 20 -12.522 1.629 1.430 152 H LEU 21 H LEU 21 -10.330 4.568 0.003 153 HA LEU 21 HA LEU 21 -8.339 3.968 1.971 154 1HB LEU 21 1HB LEU 21 -8.480 4.826 -0.654 155 2HB LEU 21 2HB LEU 21 -7.817 6.236 0.173 156 HG LEU 21 HG LEU 21 -6.181 4.607 1.297 157 1HD1 LEU 21 1HD1 LEU 21 -7.582 2.846 -0.666 158 2HD1 LEU 21 2HD1 LEU 21 -5.846 2.619 -0.460 159 3HD1 LEU 21 3HD1 LEU 21 -6.927 2.454 0.924 160 1HD2 LEU 21 1HD2 LEU 21 -6.134 5.149 -1.684 161 2HD2 LEU 21 2HD2 LEU 21 -5.389 6.113 -0.409 162 3HD2 LEU 21 3HD2 LEU 21 -4.747 4.516 -0.797 163 H ALA 22 H ALA 22 -10.578 6.616 1.658 164 HA ALA 22 HA ALA 22 -11.032 8.318 3.269 165 1HB ALA 22 1HB ALA 22 -9.839 6.469 4.721 166 2HB ALA 22 2HB ALA 22 -8.471 7.579 4.659 167 3HB ALA 22 3HB ALA 22 -10.001 8.104 5.360 168 H LEU 23 H LEU 23 -9.327 8.577 0.827 169 HA LEU 23 HA LEU 23 -7.157 10.422 1.503 170 1HB LEU 23 1HB LEU 23 -8.457 9.262 -0.936 171 2HB LEU 23 2HB LEU 23 -7.437 10.689 -1.130 172 HG LEU 23 HG LEU 23 -6.589 8.119 0.237 173 1HD1 LEU 23 1HD1 LEU 23 -6.528 9.041 -2.559 174 2HD1 LEU 23 2HD1 LEU 23 -4.965 8.496 -1.952 175 3HD1 LEU 23 3HD1 LEU 23 -6.355 7.411 -1.908 176 1HD2 LEU 23 1HD2 LEU 23 -5.237 10.761 -0.322 177 2HD2 LEU 23 2HD2 LEU 23 -5.337 9.883 1.204 178 3HD2 LEU 23 3HD2 LEU 23 -4.299 9.286 -0.090 179 HA PRO 24 HA PRO 24 -9.391 14.195 1.363 180 1HB PRO 24 1HB PRO 24 -7.692 15.840 -0.015 181 2HB PRO 24 2HB PRO 24 -7.376 15.297 1.645 182 1HG PRO 24 1HG PRO 24 -6.243 14.305 -0.919 183 2HG PRO 24 2HG PRO 24 -5.462 14.512 0.656 184 1HD PRO 24 1HD PRO 24 -6.303 12.100 -0.316 185 2HD PRO 24 2HD PRO 24 -6.158 12.473 1.415 186 H GLU 25 H GLU 25 -10.925 15.214 0.040 187 HA GLU 25 HA GLU 25 -11.567 14.076 -2.512 188 1HB GLU 25 1HB GLU 25 -13.140 15.156 -0.918 189 2HB GLU 25 2HB GLU 25 -12.381 16.714 -1.247 190 1HG GLU 25 1HG GLU 25 -13.006 16.539 -3.617 191 2HG GLU 25 2HG GLU 25 -13.738 14.962 -3.317 192 H ASP 26 H ASP 26 -9.738 16.960 -1.566 193 HA ASP 26 HA ASP 26 -9.604 18.255 -4.101 194 1HB ASP 26 1HB ASP 26 -8.933 19.087 -1.796 195 2HB ASP 26 2HB ASP 26 -7.462 18.127 -1.961 196 H LEU 27 H LEU 27 -7.902 15.462 -2.820 197 HA LEU 27 HA LEU 27 -5.913 15.474 -5.009 198 1HB LEU 27 1HB LEU 27 -5.218 14.846 -2.771 199 2HB LEU 27 2HB LEU 27 -6.513 13.653 -2.657 200 HG LEU 27 HG LEU 27 -5.480 12.476 -4.643 201 1HD1 LEU 27 1HD1 LEU 27 -3.551 14.723 -4.250 202 2HD1 LEU 27 2HD1 LEU 27 -2.896 13.152 -4.709 203 3HD1 LEU 27 3HD1 LEU 27 -4.082 13.949 -5.742 204 1HD2 LEU 27 1HD2 LEU 27 -4.971 12.193 -2.006 205 2HD2 LEU 27 2HD2 LEU 27 -4.194 11.193 -3.234 206 3HD2 LEU 27 3HD2 LEU 27 -3.347 12.589 -2.568 207 H ILE 28 H ILE 28 -8.923 13.881 -4.132 208 HA ILE 28 HA ILE 28 -8.684 11.709 -6.058 209 HB ILE 28 HB ILE 28 -11.008 12.930 -4.534 210 1HG1 ILE 28 1HG1 ILE 28 -9.404 10.407 -4.013 211 2HG1 ILE 28 2HG1 ILE 28 -9.126 11.941 -3.188 212 1HG2 ILE 28 1HG2 ILE 28 -10.772 10.405 -6.188 213 2HG2 ILE 28 2HG2 ILE 28 -12.039 10.642 -4.983 214 3HG2 ILE 28 3HG2 ILE 28 -11.936 11.716 -6.379 215 1HD1 ILE 28 1HD1 ILE 28 -11.879 10.724 -3.232 216 2HD1 ILE 28 2HD1 ILE 28 -10.684 10.176 -2.057 217 3HD1 ILE 28 3HD1 ILE 28 -11.191 11.866 -2.077 218 H LYS 29 H LYS 29 -10.475 14.807 -5.973 219 HA LYS 29 HA LYS 29 -11.661 14.502 -8.587 220 1HB LYS 29 1HB LYS 29 -11.045 16.928 -6.866 221 2HB LYS 29 2HB LYS 29 -12.139 16.928 -8.251 222 1HG LYS 29 1HG LYS 29 -13.209 14.869 -6.919 223 2HG LYS 29 2HG LYS 29 -12.506 15.722 -5.545 224 1HD LYS 29 1HD LYS 29 -13.629 17.829 -6.446 225 2HD LYS 29 2HD LYS 29 -14.523 16.771 -7.538 226 1HE LYS 29 1HE LYS 29 -14.860 15.489 -5.120 227 2HE LYS 29 2HE LYS 29 -14.896 17.201 -4.650 228 1HZ LYS 29 1HZ LYS 29 -16.460 17.619 -6.455 229 2HZ LYS 29 2HZ LYS 29 -16.453 15.974 -6.866 230 3HZ LYS 29 3HZ LYS 29 -17.087 16.470 -5.370 231 H MET 30 H MET 30 -8.556 15.687 -7.447 232 HA MET 30 HA MET 30 -7.882 16.972 -10.012 233 1HB MET 30 1HB MET 30 -6.699 16.590 -7.294 234 2HB MET 30 2HB MET 30 -5.589 16.939 -8.620 235 1HG MET 30 1HG MET 30 -6.943 18.933 -9.209 236 2HG MET 30 2HG MET 30 -8.005 18.598 -7.841 237 1HE MET 30 1HE MET 30 -7.375 21.002 -8.032 238 2HE MET 30 2HE MET 30 -7.104 21.266 -6.311 239 3HE MET 30 3HE MET 30 -5.877 21.752 -7.488 240 H ALA 31 H ALA 31 -7.360 13.896 -8.388 241 HA ALA 31 HA ALA 31 -5.430 13.048 -10.501 242 1HB ALA 31 1HB ALA 31 -6.327 11.827 -7.870 243 2HB ALA 31 2HB ALA 31 -5.080 11.148 -8.917 244 3HB ALA 31 3HB ALA 31 -4.828 12.715 -8.145 245 H ARG 32 H ARG 32 -8.672 13.173 -10.257 246 HA ARG 32 HA ARG 32 -9.551 10.478 -10.744 247 1HB ARG 32 1HB ARG 32 -11.624 11.536 -11.191 248 2HB ARG 32 2HB ARG 32 -10.819 12.643 -10.078 249 1HG ARG 32 1HG ARG 32 -10.011 13.973 -12.007 250 2HG ARG 32 2HG ARG 32 -10.867 12.886 -13.101 251 1HD ARG 32 1HD ARG 32 -12.935 13.487 -11.524 252 2HD ARG 32 2HD ARG 32 -11.976 14.954 -11.242 253 HE ARG 32 HE ARG 32 -12.005 14.322 -14.049 254 1HH1 ARG 32 1HH1 ARG 32 -14.819 14.339 -12.439 255 2HH1 ARG 32 2HH1 ARG 32 -15.418 15.852 -13.033 256 1HH2 ARG 32 1HH2 ARG 32 -12.386 16.813 -14.414 257 2HH2 ARG 32 2HH2 ARG 32 -14.041 17.252 -14.151 258 H ASP 33 H ASP 33 -7.542 12.384 -12.600 259 HA ASP 33 HA ASP 33 -8.134 10.775 -15.031 260 1HB ASP 33 1HB ASP 33 -8.120 13.799 -14.812 261 2HB ASP 33 2HB ASP 33 -8.051 12.941 -16.352 262 H ILE 34 H ILE 34 -5.936 10.448 -13.322 263 HA ILE 34 HA ILE 34 -3.695 11.679 -14.897 264 HB ILE 34 HB ILE 34 -4.177 11.165 -11.983 265 1HG1 ILE 34 1HG1 ILE 34 -2.796 13.374 -13.543 266 2HG1 ILE 34 2HG1 ILE 34 -4.458 13.422 -12.954 267 1HG2 ILE 34 1HG2 ILE 34 -1.672 10.623 -13.435 268 2HG2 ILE 34 2HG2 ILE 34 -1.488 11.738 -12.080 269 3HG2 ILE 34 3HG2 ILE 34 -2.162 10.130 -11.812 270 1HD1 ILE 34 1HD1 ILE 34 -3.408 12.937 -10.623 271 2HD1 ILE 34 2HD1 ILE 34 -1.898 13.462 -11.367 272 3HD1 ILE 34 3HD1 ILE 34 -3.267 14.569 -11.278 273 H LYS 35 H LYS 35 -2.809 10.101 -16.179 274 HA LYS 35 HA LYS 35 -2.984 7.255 -15.367 275 1HB LYS 35 1HB LYS 35 -2.359 8.847 -17.833 276 2HB LYS 35 2HB LYS 35 -1.810 7.172 -17.744 277 1HG LYS 35 1HG LYS 35 -3.918 6.850 -18.647 278 2HG LYS 35 2HG LYS 35 -4.306 6.761 -16.928 279 1HD LYS 35 1HD LYS 35 -5.009 9.075 -16.898 280 2HD LYS 35 2HD LYS 35 -4.441 9.316 -18.551 281 1HE LYS 35 1HE LYS 35 -6.209 8.094 -19.479 282 2HE LYS 35 2HE LYS 35 -6.492 7.183 -17.982 283 1HZ LYS 35 1HZ LYS 35 -6.847 10.121 -18.208 284 2HZ LYS 35 2HZ LYS 35 -8.121 9.013 -18.391 285 3HZ LYS 35 3HZ LYS 35 -7.303 9.126 -16.911 286 HA PRO 36 HA PRO 36 1.242 8.220 -13.870 287 1HB PRO 36 1HB PRO 36 1.151 6.458 -11.778 288 2HB PRO 36 2HB PRO 36 0.515 8.112 -11.676 289 1HG PRO 36 1HG PRO 36 -0.939 5.547 -12.071 290 2HG PRO 36 2HG PRO 36 -1.399 6.974 -11.129 291 1HD PRO 36 1HD PRO 36 -2.410 6.393 -13.602 292 2HD PRO 36 2HD PRO 36 -2.297 8.039 -12.941 293 H ILE 37 H ILE 37 3.059 7.038 -14.483 294 HA ILE 37 HA ILE 37 2.604 4.428 -15.798 295 HB ILE 37 HB ILE 37 5.027 6.237 -15.521 296 1HG1 ILE 37 1HG1 ILE 37 3.505 5.868 -18.065 297 2HG1 ILE 37 2HG1 ILE 37 2.776 6.882 -16.820 298 1HG2 ILE 37 1HG2 ILE 37 4.489 3.812 -17.259 299 2HG2 ILE 37 2HG2 ILE 37 5.841 4.918 -17.501 300 3HG2 ILE 37 3HG2 ILE 37 5.731 3.971 -16.018 301 1HD1 ILE 37 1HD1 ILE 37 5.664 7.316 -17.448 302 2HD1 ILE 37 2HD1 ILE 37 4.473 7.893 -18.615 303 3HD1 ILE 37 3HD1 ILE 37 4.437 8.481 -16.952 304 H VAL 38 H VAL 38 4.114 2.608 -15.311 305 HA VAL 38 HA VAL 38 5.248 2.668 -12.544 306 HB VAL 38 HB VAL 38 3.310 0.677 -13.761 307 1HG1 VAL 38 1HG1 VAL 38 5.208 0.474 -11.469 308 2HG1 VAL 38 2HG1 VAL 38 3.590 -0.186 -11.235 309 3HG1 VAL 38 3HG1 VAL 38 4.607 -0.787 -12.545 310 1HG2 VAL 38 1HG2 VAL 38 2.670 2.971 -12.569 311 2HG2 VAL 38 2HG2 VAL 38 1.746 1.502 -12.259 312 3HG2 VAL 38 3HG2 VAL 38 2.974 2.029 -11.109 313 H GLU 39 H GLU 39 7.392 2.199 -12.883 314 HA GLU 39 HA GLU 39 8.157 0.372 -15.107 315 1HB GLU 39 1HB GLU 39 9.120 2.749 -14.433 316 2HB GLU 39 2HB GLU 39 10.071 1.800 -13.289 317 1HG GLU 39 1HG GLU 39 11.031 0.480 -15.055 318 2HG GLU 39 2HG GLU 39 9.921 1.164 -16.245 319 H ILE 40 H ILE 40 8.991 -1.664 -14.698 320 HA ILE 40 HA ILE 40 9.473 -2.405 -11.828 321 HB ILE 40 HB ILE 40 8.281 -4.044 -14.089 322 1HG1 ILE 40 1HG1 ILE 40 6.957 -2.885 -11.617 323 2HG1 ILE 40 2HG1 ILE 40 6.830 -2.184 -13.232 324 1HG2 ILE 40 1HG2 ILE 40 8.823 -4.614 -11.168 325 2HG2 ILE 40 2HG2 ILE 40 7.679 -5.559 -12.121 326 3HG2 ILE 40 3HG2 ILE 40 9.385 -5.524 -12.570 327 1HD1 ILE 40 1HD1 ILE 40 5.988 -4.478 -13.998 328 2HD1 ILE 40 2HD1 ILE 40 5.818 -4.871 -12.287 329 3HD1 ILE 40 3HD1 ILE 40 4.889 -3.543 -12.983 330 H GLN 41 H GLN 41 11.504 -3.222 -11.472 331 HA GLN 41 HA GLN 41 13.009 -4.345 -13.812 332 1HB GLN 41 1HB GLN 41 13.731 -2.058 -13.285 333 2HB GLN 41 2HB GLN 41 13.958 -2.502 -11.593 334 1HG GLN 41 1HG GLN 41 15.701 -4.106 -12.217 335 2HG GLN 41 2HG GLN 41 15.448 -3.744 -13.926 336 1HE2 GLN 41 2HE2 GLN 41 17.303 -2.587 -14.535 337 2HE2 GLN 41 1HE2 GLN 41 17.896 -1.225 -13.713 338 H GLN 42 H GLN 42 12.105 -6.404 -12.751 339 HA GLN 42 HA GLN 42 13.048 -7.200 -10.128 340 1HB GLN 42 1HB GLN 42 11.032 -8.073 -11.304 341 2HB GLN 42 2HB GLN 42 12.082 -8.826 -12.504 342 1HG GLN 42 1HG GLN 42 12.797 -9.458 -9.717 343 2HG GLN 42 2HG GLN 42 11.214 -10.059 -10.211 344 1HE2 GLN 42 2HE2 GLN 42 12.274 -12.271 -10.068 345 2HE2 GLN 42 1HE2 GLN 42 13.190 -12.817 -11.389 346 H LYS 43 H LYS 43 14.598 -9.014 -9.787 347 HA LYS 43 HA LYS 43 16.480 -9.667 -11.951 348 1HB LYS 43 1HB LYS 43 16.997 -7.667 -9.777 349 2HB LYS 43 2HB LYS 43 18.334 -8.685 -10.314 350 1HG LYS 43 1HG LYS 43 17.746 -8.000 -12.693 351 2HG LYS 43 2HG LYS 43 16.670 -6.792 -11.988 352 1HD LYS 43 1HD LYS 43 19.622 -7.017 -11.336 353 2HD LYS 43 2HD LYS 43 18.955 -5.900 -12.528 354 1HE LYS 43 1HE LYS 43 17.539 -4.874 -10.756 355 2HE LYS 43 2HE LYS 43 18.283 -5.958 -9.564 356 1HZ LYS 43 1HZ LYS 43 19.889 -4.252 -11.376 357 2HZ LYS 43 2HZ LYS 43 19.378 -3.712 -9.848 358 3HZ LYS 43 3HZ LYS 43 20.401 -5.062 -9.976 359 H GLY 44 H GLY 44 14.902 -11.409 -10.470 360 1HA GLY 44 1HA GLY 44 15.799 -13.606 -9.685 361 2HA GLY 44 2HA GLY 44 16.908 -12.695 -8.660 362 H ASP 45 H ASP 45 16.225 -12.131 -6.622 363 HA ASP 45 HA ASP 45 13.402 -12.837 -5.909 364 1HB ASP 45 1HB ASP 45 16.068 -12.888 -4.511 365 2HB ASP 45 2HB ASP 45 14.581 -12.841 -3.563 366 H ASP 46 H ASP 46 15.285 -10.177 -6.576 367 HA ASP 46 HA ASP 46 14.023 -8.459 -4.483 368 1HB ASP 46 1HB ASP 46 16.507 -8.474 -4.870 369 2HB ASP 46 2HB ASP 46 16.212 -7.865 -6.499 370 H PHE 47 H PHE 47 12.712 -6.690 -5.107 371 HA PHE 47 HA PHE 47 12.017 -6.527 -8.023 372 1HB PHE 47 1HB PHE 47 10.401 -6.971 -5.569 373 2HB PHE 47 2HB PHE 47 9.708 -5.863 -6.754 374 HD1 PHE 47 HD1 PHE 47 11.532 -9.150 -6.714 375 HD2 PHE 47 HD2 PHE 47 8.356 -6.798 -8.398 376 HE1 PHE 47 HE1 PHE 47 10.850 -11.077 -8.121 377 HE2 PHE 47 HE2 PHE 47 7.674 -8.724 -9.804 378 HZ PHE 47 HZ PHE 47 8.922 -10.863 -9.665 379 H VAL 48 H VAL 48 11.988 -4.442 -8.826 380 HA VAL 48 HA VAL 48 12.159 -2.194 -6.841 381 HB VAL 48 HB VAL 48 13.505 -2.539 -9.542 382 1HG1 VAL 48 1HG1 VAL 48 13.391 -0.303 -7.534 383 2HG1 VAL 48 2HG1 VAL 48 14.833 -0.517 -8.526 384 3HG1 VAL 48 3HG1 VAL 48 13.272 -0.224 -9.292 385 1HG2 VAL 48 1HG2 VAL 48 14.325 -3.056 -6.715 386 2HG2 VAL 48 2HG2 VAL 48 14.775 -3.915 -8.188 387 3HG2 VAL 48 3HG2 VAL 48 15.532 -2.369 -7.802 388 H VAL 49 H VAL 49 10.142 -1.235 -6.976 389 HA VAL 49 HA VAL 49 8.954 -0.833 -9.698 390 HB VAL 49 HB VAL 49 7.764 -0.849 -6.904 391 1HG1 VAL 49 1HG1 VAL 49 6.740 0.044 -9.517 392 2HG1 VAL 49 2HG1 VAL 49 5.690 -1.107 -8.691 393 3HG1 VAL 49 3HG1 VAL 49 6.146 0.400 -7.896 394 1HG2 VAL 49 1HG2 VAL 49 8.207 -2.882 -9.000 395 2HG2 VAL 49 2HG2 VAL 49 7.929 -3.092 -7.271 396 3HG2 VAL 49 3HG2 VAL 49 6.565 -2.843 -8.360 397 H THR 50 H THR 50 8.896 1.250 -10.455 398 HA THR 50 HA THR 50 9.146 3.486 -8.469 399 HB THR 50 HB THR 50 10.474 3.105 -11.172 400 HG1 THR 50 HG1 THR 50 11.661 3.475 -8.638 401 1HG2 THR 50 1HG2 THR 50 11.686 5.263 -10.301 402 2HG2 THR 50 2HG2 THR 50 10.120 5.409 -11.100 403 3HG2 THR 50 3HG2 THR 50 10.222 5.470 -9.341 404 H SER 51 H SER 51 7.104 4.400 -8.555 405 HA SER 51 HA SER 51 5.660 4.571 -11.137 406 1HB SER 51 1HB SER 51 5.091 4.845 -8.223 407 2HB SER 51 2HB SER 51 4.055 5.752 -9.322 408 HG SER 51 HG SER 51 3.274 3.632 -8.932 409 H LYS 52 H LYS 52 5.389 6.499 -12.257 410 HA LYS 52 HA LYS 52 6.433 9.004 -10.982 411 1HB LYS 52 1HB LYS 52 7.440 9.509 -13.206 412 2HB LYS 52 2HB LYS 52 8.091 8.024 -12.510 413 1HG LYS 52 1HG LYS 52 6.550 6.684 -13.873 414 2HG LYS 52 2HG LYS 52 5.847 8.155 -14.546 415 1HD LYS 52 1HD LYS 52 7.628 8.538 -15.926 416 2HD LYS 52 2HD LYS 52 8.796 7.928 -14.753 417 1HE LYS 52 1HE LYS 52 7.392 5.641 -15.370 418 2HE LYS 52 2HE LYS 52 7.419 6.491 -16.927 419 1HZ LYS 52 1HZ LYS 52 9.790 6.107 -15.177 420 2HZ LYS 52 2HZ LYS 52 9.441 5.154 -16.539 421 3HZ LYS 52 3HZ LYS 52 9.776 6.810 -16.720 422 H THR 53 H THR 53 4.897 10.596 -11.050 423 HA THR 53 HA THR 53 2.652 10.315 -13.014 424 HB THR 53 HB THR 53 2.163 12.249 -10.964 425 HG1 THR 53 HG1 THR 53 3.779 11.292 -9.763 426 1HG2 THR 53 1HG2 THR 53 1.113 9.445 -10.861 427 2HG2 THR 53 2HG2 THR 53 0.259 10.969 -10.615 428 3HG2 THR 53 3HG2 THR 53 0.701 10.459 -12.244 429 HA PRO 54 HA PRO 54 3.703 14.109 -14.949 430 1HB PRO 54 1HB PRO 54 1.295 15.388 -15.192 431 2HB PRO 54 2HB PRO 54 1.734 13.962 -16.155 432 1HG PRO 54 1HG PRO 54 0.005 14.158 -13.743 433 2HG PRO 54 2HG PRO 54 -0.177 13.147 -15.184 434 1HD PRO 54 1HD PRO 54 0.778 12.227 -12.793 435 2HD PRO 54 2HD PRO 54 1.189 11.509 -14.365 436 H ARG 55 H ARG 55 2.065 14.236 -11.879 437 HA ARG 55 HA ARG 55 2.811 17.109 -11.515 438 1HB ARG 55 1HB ARG 55 0.482 16.493 -11.102 439 2HB ARG 55 2HB ARG 55 0.988 15.206 -10.007 440 1HG ARG 55 1HG ARG 55 1.913 16.817 -8.448 441 2HG ARG 55 2HG ARG 55 1.612 18.141 -9.575 442 1HD ARG 55 1HD ARG 55 -0.796 17.839 -9.380 443 2HD ARG 55 2HD ARG 55 -0.567 16.389 -8.383 444 HE ARG 55 HE ARG 55 0.583 18.992 -7.478 445 1HH1 ARG 55 1HH1 ARG 55 0.828 16.646 -5.705 446 2HH1 ARG 55 2HH1 ARG 55 -0.538 16.808 -4.653 447 1HH2 ARG 55 1HH2 ARG 55 -2.193 19.052 -6.716 448 2HH2 ARG 55 2HH2 ARG 55 -2.249 18.171 -5.225 449 H GLN 56 H GLN 56 3.582 13.867 -10.492 450 HA GLN 56 HA GLN 56 5.881 14.850 -8.951 451 1HB GLN 56 1HB GLN 56 5.098 13.885 -6.831 452 2HB GLN 56 2HB GLN 56 3.930 15.071 -7.413 453 1HG GLN 56 1HG GLN 56 2.503 13.321 -8.297 454 2HG GLN 56 2HG GLN 56 3.710 12.091 -7.921 455 1HE2 GLN 56 2HE2 GLN 56 4.478 12.654 -5.341 456 2HE2 GLN 56 1HE2 GLN 56 3.147 12.606 -4.288 457 H THR 57 H THR 57 7.283 13.034 -8.288 458 HA THR 57 HA THR 57 6.622 10.447 -9.654 459 HB THR 57 HB THR 57 9.121 10.446 -10.204 460 HG1 THR 57 HG1 THR 57 8.831 13.196 -9.594 461 1HG2 THR 57 1HG2 THR 57 7.910 12.842 -11.496 462 2HG2 THR 57 2HG2 THR 57 8.688 11.440 -12.231 463 3HG2 THR 57 3HG2 THR 57 7.034 11.318 -11.633 464 H VAL 58 H VAL 58 6.892 8.696 -8.315 465 HA VAL 58 HA VAL 58 8.607 9.040 -5.875 466 HB VAL 58 HB VAL 58 5.935 7.625 -6.165 467 1HG1 VAL 58 1HG1 VAL 58 7.537 6.654 -4.484 468 2HG1 VAL 58 2HG1 VAL 58 7.562 8.222 -3.676 469 3HG1 VAL 58 3HG1 VAL 58 6.061 7.301 -3.765 470 1HG2 VAL 58 1HG2 VAL 58 6.762 10.355 -5.261 471 2HG2 VAL 58 2HG2 VAL 58 5.307 9.854 -6.121 472 3HG2 VAL 58 3HG2 VAL 58 5.453 9.560 -4.388 473 H THR 59 H THR 59 10.140 7.448 -5.699 474 HA THR 59 HA THR 59 9.826 5.004 -7.406 475 HB THR 59 HB THR 59 11.715 6.653 -7.796 476 HG1 THR 59 HG1 THR 59 13.226 5.006 -7.999 477 1HG2 THR 59 1HG2 THR 59 12.826 5.528 -5.221 478 2HG2 THR 59 2HG2 THR 59 13.473 6.847 -6.198 479 3HG2 THR 59 3HG2 THR 59 11.978 7.073 -5.289 480 H ASN 60 H ASN 60 9.870 3.005 -6.394 481 HA ASN 60 HA ASN 60 10.568 2.931 -3.478 482 1HB ASN 60 1HB ASN 60 8.230 1.632 -4.915 483 2HB ASN 60 2HB ASN 60 8.599 1.447 -3.200 484 1HD2 ASN 60 2HD2 ASN 60 6.115 2.564 -3.952 485 2HD2 ASN 60 1HD2 ASN 60 6.101 4.215 -3.558 486 H SER 61 H SER 61 11.507 0.936 -2.789 487 HA SER 61 HA SER 61 11.960 -1.162 -4.858 488 1HB SER 61 1HB SER 61 13.798 0.513 -4.957 489 2HB SER 61 2HB SER 61 14.119 0.240 -3.247 490 HG SER 61 HG SER 61 15.231 -1.030 -5.135 491 H PHE 62 H PHE 62 11.682 -3.151 -3.921 492 HA PHE 62 HA PHE 62 12.323 -3.492 -1.025 493 1HB PHE 62 1HB PHE 62 10.090 -4.654 -0.807 494 2HB PHE 62 2HB PHE 62 9.965 -2.926 -1.136 495 HD1 PHE 62 HD1 PHE 62 9.611 -6.311 -2.565 496 HD2 PHE 62 HD2 PHE 62 9.173 -2.098 -3.277 497 HE1 PHE 62 HE1 PHE 62 8.307 -6.794 -4.619 498 HE2 PHE 62 HE2 PHE 62 7.869 -2.581 -5.331 499 HZ PHE 62 HZ PHE 62 7.437 -4.929 -6.002 500 H THR 63 H THR 63 12.194 -5.919 -0.466 501 HA THR 63 HA THR 63 13.101 -7.540 -2.825 502 HB THR 63 HB THR 63 13.878 -7.841 0.090 503 HG1 THR 63 HG1 THR 63 15.475 -6.472 -0.265 504 1HG2 THR 63 1HG2 THR 63 15.828 -9.036 -0.959 505 2HG2 THR 63 2HG2 THR 63 14.278 -9.836 -1.214 506 3HG2 THR 63 3HG2 THR 63 15.008 -8.895 -2.514 507 H LEU 64 H LEU 64 12.446 -9.784 -2.821 508 HA LEU 64 HA LEU 64 9.825 -10.258 -1.595 509 1HB LEU 64 1HB LEU 64 11.710 -11.742 -3.430 510 2HB LEU 64 2HB LEU 64 10.229 -12.494 -2.836 511 HG LEU 64 HG LEU 64 10.138 -9.761 -4.092 512 1HD1 LEU 64 1HD1 LEU 64 10.548 -12.404 -5.424 513 2HD1 LEU 64 2HD1 LEU 64 9.403 -11.286 -6.164 514 3HD1 LEU 64 3HD1 LEU 64 11.081 -10.799 -5.926 515 1HD2 LEU 64 1HD2 LEU 64 8.230 -12.050 -3.596 516 2HD2 LEU 64 2HD2 LEU 64 8.092 -10.373 -3.068 517 3HD2 LEU 64 3HD2 LEU 64 7.854 -10.785 -4.766 518 H GLY 65 H GLY 65 9.562 -11.207 0.386 519 1HA GLY 65 1HA GLY 65 9.954 -12.960 1.997 520 2HA GLY 65 2HA GLY 65 11.558 -13.202 1.304 521 H LYS 66 H LYS 66 10.804 -9.915 1.720 522 HA LYS 66 HA LYS 66 11.961 -9.802 4.462 523 1HB LYS 66 1HB LYS 66 13.142 -8.693 1.906 524 2HB LYS 66 2HB LYS 66 13.603 -8.074 3.492 525 1HG LYS 66 1HG LYS 66 14.042 -10.550 4.109 526 2HG LYS 66 2HG LYS 66 14.013 -10.843 2.370 527 1HD LYS 66 1HD LYS 66 15.816 -8.856 3.786 528 2HD LYS 66 2HD LYS 66 16.316 -10.427 3.158 529 1HE LYS 66 1HE LYS 66 15.516 -9.662 0.869 530 2HE LYS 66 2HE LYS 66 15.337 -8.038 1.565 531 1HZ LYS 66 1HZ LYS 66 17.814 -9.679 1.667 532 2HZ LYS 66 2HZ LYS 66 17.556 -8.374 0.611 533 3HZ LYS 66 3HZ LYS 66 17.629 -8.107 2.284 534 H GLU 67 H GLU 67 11.168 -8.033 5.604 535 HA GLU 67 HA GLU 67 8.918 -6.563 4.590 536 1HB GLU 67 1HB GLU 67 9.408 -7.131 6.971 537 2HB GLU 67 2HB GLU 67 10.759 -5.996 6.937 538 1HG GLU 67 1HG GLU 67 9.237 -4.145 6.449 539 2HG GLU 67 2HG GLU 67 7.871 -5.260 6.381 540 H ALA 68 H ALA 68 8.925 -4.746 3.325 541 HA ALA 68 HA ALA 68 11.410 -3.062 3.281 542 1HB ALA 68 1HB ALA 68 10.907 -4.656 1.306 543 2HB ALA 68 2HB ALA 68 9.579 -3.559 0.928 544 3HB ALA 68 3HB ALA 68 11.242 -2.970 0.912 545 H ASP 69 H ASP 69 11.034 -0.797 3.063 546 HA ASP 69 HA ASP 69 8.397 0.121 3.982 547 1HB ASP 69 1HB ASP 69 10.961 1.564 3.229 548 2HB ASP 69 2HB ASP 69 9.593 2.293 4.072 549 H ILE 70 H ILE 70 6.878 1.176 2.708 550 HA ILE 70 HA ILE 70 7.621 1.750 -0.142 551 HB ILE 70 HB ILE 70 5.337 0.219 1.084 552 1HG1 ILE 70 1HG1 ILE 70 7.278 -1.024 0.244 553 2HG1 ILE 70 2HG1 ILE 70 5.885 -1.321 -0.795 554 1HG2 ILE 70 1HG2 ILE 70 4.409 2.065 -0.361 555 2HG2 ILE 70 2HG2 ILE 70 5.322 1.391 -1.711 556 3HG2 ILE 70 3HG2 ILE 70 4.046 0.443 -0.949 557 1HD1 ILE 70 1HD1 ILE 70 6.924 0.859 -2.024 558 2HD1 ILE 70 2HD1 ILE 70 8.400 0.141 -1.378 559 3HD1 ILE 70 3HD1 ILE 70 7.364 -0.792 -2.458 560 H THR 71 H THR 71 6.694 3.648 -0.988 561 HA THR 71 HA THR 71 5.103 5.301 0.948 562 HB THR 71 HB THR 71 7.352 6.153 0.572 563 HG1 THR 71 HG1 THR 71 6.578 8.079 0.344 564 1HG2 THR 71 1HG2 THR 71 8.011 6.781 -1.796 565 2HG2 THR 71 2HG2 THR 71 7.944 5.048 -1.474 566 3HG2 THR 71 3HG2 THR 71 6.630 5.833 -2.349 567 H THR 72 H THR 72 3.143 6.065 0.199 568 HA THR 72 HA THR 72 2.235 5.210 -2.475 569 HB THR 72 HB THR 72 0.064 5.872 -1.607 570 HG1 THR 72 HG1 THR 72 -0.097 7.392 -0.177 571 1HG2 THR 72 1HG2 THR 72 1.169 4.894 0.941 572 2HG2 THR 72 2HG2 THR 72 -0.051 4.172 -0.108 573 3HG2 THR 72 3HG2 THR 72 1.662 3.953 -0.467 574 H MET 73 H MET 73 1.206 6.786 -3.954 575 HA MET 73 HA MET 73 2.814 9.167 -4.340 576 1HB MET 73 1HB MET 73 1.405 7.535 -5.930 577 2HB MET 73 2HB MET 73 0.166 8.763 -5.668 578 1HG MET 73 1HG MET 73 1.985 10.481 -6.273 579 2HG MET 73 2HG MET 73 2.908 9.109 -6.885 580 1HE MET 73 1HE MET 73 0.292 7.325 -7.505 581 2HE MET 73 2HE MET 73 0.133 7.524 -9.256 582 3HE MET 73 3HE MET 73 1.721 7.271 -8.534 583 H ASP 74 H ASP 74 0.083 8.502 -2.400 584 HA ASP 74 HA ASP 74 -1.007 11.249 -2.503 585 1HB ASP 74 1HB ASP 74 -2.830 10.274 -1.488 586 2HB ASP 74 2HB ASP 74 -2.100 8.804 -2.133 587 H GLY 75 H GLY 75 1.402 9.527 -0.773 588 1HA GLY 75 1HA GLY 75 2.918 10.751 0.710 589 2HA GLY 75 2HA GLY 75 1.555 11.759 1.200 590 H LYS 76 H LYS 76 1.996 8.211 1.019 591 HA LYS 76 HA LYS 76 1.273 8.094 3.929 592 1HB LYS 76 1HB LYS 76 -0.089 7.127 1.589 593 2HB LYS 76 2HB LYS 76 0.427 5.745 2.556 594 1HG LYS 76 1HG LYS 76 -0.542 6.983 4.578 595 2HG LYS 76 2HG LYS 76 -1.308 8.066 3.415 596 1HD LYS 76 1HD LYS 76 -2.238 5.951 2.297 597 2HD LYS 76 2HD LYS 76 -1.742 5.095 3.757 598 1HE LYS 76 1HE LYS 76 -3.170 6.493 5.140 599 2HE LYS 76 2HE LYS 76 -3.567 7.526 3.751 600 1HZ LYS 76 1HZ LYS 76 -4.048 4.597 3.826 601 2HZ LYS 76 2HZ LYS 76 -5.237 5.753 4.192 602 3HZ LYS 76 3HZ LYS 76 -4.562 5.687 2.634 603 H LYS 77 H LYS 77 2.680 6.860 5.135 604 HA LYS 77 HA LYS 77 4.733 5.258 3.651 605 1HB LYS 77 1HB LYS 77 4.693 6.622 6.362 606 2HB LYS 77 2HB LYS 77 6.034 5.634 5.781 607 1HG LYS 77 1HG LYS 77 6.317 7.124 3.846 608 2HG LYS 77 2HG LYS 77 4.958 8.106 4.395 609 1HD LYS 77 1HD LYS 77 6.160 8.653 6.464 610 2HD LYS 77 2HD LYS 77 7.511 7.634 5.963 611 1HE LYS 77 1HE LYS 77 7.926 9.076 4.022 612 2HE LYS 77 2HE LYS 77 6.523 10.077 4.445 613 1HZ LYS 77 1HZ LYS 77 7.556 10.407 6.658 614 2HZ LYS 77 2HZ LYS 77 8.948 9.617 6.099 615 3HZ LYS 77 3HZ LYS 77 8.462 11.083 5.390 616 H LEU 78 H LEU 78 4.865 3.068 4.078 617 HA LEU 78 HA LEU 78 3.817 1.901 6.554 618 1HB LEU 78 1HB LEU 78 2.031 0.632 5.406 619 2HB LEU 78 2HB LEU 78 1.776 2.369 5.231 620 HG LEU 78 HG LEU 78 3.465 1.248 3.114 621 1HD1 LEU 78 1HD1 LEU 78 1.069 -0.192 3.887 622 2HD1 LEU 78 2HD1 LEU 78 0.891 0.489 2.270 623 3HD1 LEU 78 3HD1 LEU 78 2.244 -0.583 2.630 624 1HD2 LEU 78 1HD2 LEU 78 0.954 2.931 3.289 625 2HD2 LEU 78 2HD2 LEU 78 2.588 3.466 2.897 626 3HD2 LEU 78 3HD2 LEU 78 1.685 2.476 1.750 627 H LYS 79 H LYS 79 4.247 -0.448 6.619 628 HA LYS 79 HA LYS 79 6.447 -1.219 4.744 629 1HB LYS 79 1HB LYS 79 5.654 -2.391 7.427 630 2HB LYS 79 2HB LYS 79 7.177 -2.632 6.571 631 1HG LYS 79 1HG LYS 79 7.768 -0.294 6.846 632 2HG LYS 79 2HG LYS 79 6.188 0.061 7.547 633 1HD LYS 79 1HD LYS 79 8.010 -2.001 8.781 634 2HD LYS 79 2HD LYS 79 8.168 -0.289 9.177 635 1HE LYS 79 1HE LYS 79 6.006 -0.189 10.141 636 2HE LYS 79 2HE LYS 79 5.496 -1.698 9.357 637 1HZ LYS 79 1HZ LYS 79 7.753 -1.543 11.276 638 2HZ LYS 79 2HZ LYS 79 6.169 -1.938 11.743 639 3HZ LYS 79 3HZ LYS 79 7.013 -2.941 10.663 640 H CYS 80 H CYS 80 6.437 -3.410 3.891 641 HA CYS 80 HA CYS 80 4.107 -5.142 4.283 642 1HB CYS 80 1HB CYS 80 3.343 -4.889 1.924 643 2HB CYS 80 2HB CYS 80 3.206 -3.380 2.825 644 HG CYS 80 HG CYS 80 5.793 -3.052 1.655 645 H THR 81 H THR 81 4.693 -7.239 3.764 646 HA THR 81 HA THR 81 7.392 -7.653 2.590 647 HB THR 81 HB THR 81 5.460 -9.663 3.777 648 HG1 THR 81 HG1 THR 81 5.745 -8.107 5.318 649 1HG2 THR 81 1HG2 THR 81 8.484 -9.637 3.762 650 2HG2 THR 81 2HG2 THR 81 7.418 -10.983 4.163 651 3HG2 THR 81 3HG2 THR 81 7.527 -10.411 2.498 652 H VAL 82 H VAL 82 7.066 -7.437 0.331 653 HA VAL 82 HA VAL 82 4.824 -8.565 -1.093 654 HB VAL 82 HB VAL 82 7.621 -7.816 -2.009 655 1HG1 VAL 82 1HG1 VAL 82 4.985 -8.079 -3.489 656 2HG1 VAL 82 2HG1 VAL 82 6.456 -7.397 -4.182 657 3HG1 VAL 82 3HG1 VAL 82 6.413 -9.093 -3.702 658 1HG2 VAL 82 1HG2 VAL 82 5.393 -6.245 -1.002 659 2HG2 VAL 82 2HG2 VAL 82 7.021 -5.719 -1.428 660 3HG2 VAL 82 3HG2 VAL 82 5.770 -5.806 -2.668 661 H HIS 83 H HIS 83 4.650 -10.573 -2.124 662 HA HIS 83 HA HIS 83 6.988 -12.414 -2.100 663 1HB HIS 83 1HB HIS 83 5.616 -14.126 -0.944 664 2HB HIS 83 2HB HIS 83 5.805 -12.682 0.052 665 HD1 HIS 83 HD1 HIS 83 3.694 -11.602 0.854 666 HD2 HIS 83 HD2 HIS 83 3.004 -14.120 -2.397 667 HE1 HIS 83 HE1 HIS 83 1.184 -11.675 0.524 668 H LEU 84 H LEU 84 6.781 -14.095 -3.674 669 HA LEU 84 HA LEU 84 4.717 -13.576 -5.749 670 1HB LEU 84 1HB LEU 84 7.384 -14.954 -5.561 671 2HB LEU 84 2HB LEU 84 6.311 -15.319 -6.913 672 HG LEU 84 HG LEU 84 6.999 -12.478 -6.148 673 1HD1 LEU 84 1HD1 LEU 84 8.443 -14.342 -8.055 674 2HD1 LEU 84 2HD1 LEU 84 8.670 -12.593 -8.023 675 3HD1 LEU 84 3HD1 LEU 84 9.117 -13.566 -6.621 676 1HD2 LEU 84 1HD2 LEU 84 5.091 -13.478 -7.823 677 2HD2 LEU 84 2HD2 LEU 84 5.862 -11.908 -8.047 678 3HD2 LEU 84 3HD2 LEU 84 6.448 -13.313 -8.937 679 H ALA 85 H ALA 85 2.997 -14.956 -6.002 680 HA ALA 85 HA ALA 85 3.228 -17.762 -5.022 681 1HB ALA 85 1HB ALA 85 2.286 -16.071 -3.302 682 2HB ALA 85 2HB ALA 85 0.868 -15.999 -4.347 683 3HB ALA 85 3HB ALA 85 1.337 -17.528 -3.602 684 H ASN 86 H ASN 86 1.946 -19.200 -6.231 685 HA ASN 86 HA ASN 86 0.655 -19.937 -8.070 686 1HB ASN 86 1HB ASN 86 -0.838 -18.293 -6.572 687 2HB ASN 86 2HB ASN 86 -0.787 -17.318 -8.041 688 1HD2 ASN 86 2HD2 ASN 86 -1.605 -18.368 -10.068 689 2HD2 ASN 86 1HD2 ASN 86 -2.733 -19.632 -9.957 690 H GLY 87 H GLY 87 2.934 -17.682 -8.301 691 1HA GLY 87 1HA GLY 87 4.116 -17.016 -10.256 692 2HA GLY 87 2HA GLY 87 2.752 -17.560 -11.234 693 H LYS 88 H LYS 88 2.840 -15.243 -8.521 694 HA LYS 88 HA LYS 88 2.506 -12.914 -10.225 695 1HB LYS 88 1HB LYS 88 0.106 -12.557 -9.624 696 2HB LYS 88 2HB LYS 88 0.346 -14.019 -10.582 697 1HG LYS 88 1HG LYS 88 -0.059 -15.429 -8.787 698 2HG LYS 88 2HG LYS 88 0.467 -14.237 -7.598 699 1HD LYS 88 1HD LYS 88 -1.565 -13.090 -7.647 700 2HD LYS 88 2HD LYS 88 -1.980 -13.695 -9.252 701 1HE LYS 88 1HE LYS 88 -2.732 -15.744 -8.435 702 2HE LYS 88 2HE LYS 88 -1.700 -15.660 -6.992 703 1HZ LYS 88 1HZ LYS 88 -3.029 -13.711 -6.282 704 2HZ LYS 88 2HZ LYS 88 -4.089 -13.992 -7.579 705 3HZ LYS 88 3HZ LYS 88 -3.932 -15.145 -6.340 706 H LEU 89 H LEU 89 3.112 -11.161 -8.999 707 HA LEU 89 HA LEU 89 3.925 -11.394 -6.277 708 1HB LEU 89 1HB LEU 89 4.535 -9.709 -8.143 709 2HB LEU 89 2HB LEU 89 3.079 -8.841 -7.654 710 HG LEU 89 HG LEU 89 4.839 -9.648 -5.425 711 1HD1 LEU 89 1HD1 LEU 89 6.262 -8.832 -7.539 712 2HD1 LEU 89 2HD1 LEU 89 5.758 -7.249 -6.948 713 3HD1 LEU 89 3HD1 LEU 89 6.674 -8.331 -5.900 714 1HD2 LEU 89 1HD2 LEU 89 3.263 -7.229 -6.301 715 2HD2 LEU 89 2HD2 LEU 89 3.025 -8.241 -4.875 716 3HD2 LEU 89 3HD2 LEU 89 4.393 -7.130 -4.950 717 H VAL 90 H VAL 90 2.905 -10.658 -4.344 718 HA VAL 90 HA VAL 90 0.143 -9.610 -4.467 719 HB VAL 90 HB VAL 90 0.900 -12.322 -3.332 720 1HG1 VAL 90 1HG1 VAL 90 -0.877 -10.668 -2.160 721 2HG1 VAL 90 2HG1 VAL 90 -1.922 -11.375 -3.393 722 3HG1 VAL 90 3HG1 VAL 90 -1.110 -12.415 -2.224 723 1HG2 VAL 90 1HG2 VAL 90 -0.247 -11.382 -5.847 724 2HG2 VAL 90 2HG2 VAL 90 0.340 -12.990 -5.419 725 3HG2 VAL 90 3HG2 VAL 90 -1.314 -12.522 -5.026 726 H THR 91 H THR 91 0.480 -7.892 -3.079 727 HA THR 91 HA THR 91 2.062 -8.344 -0.588 728 HB THR 91 HB THR 91 1.085 -5.851 -2.019 729 HG1 THR 91 HG1 THR 91 3.607 -7.126 -1.801 730 1HG2 THR 91 1HG2 THR 91 2.986 -4.921 -0.407 731 2HG2 THR 91 2HG2 THR 91 1.317 -5.072 0.144 732 3HG2 THR 91 3HG2 THR 91 2.502 -6.305 0.574 733 H LYS 92 H LYS 92 0.617 -9.171 0.938 734 HA LYS 92 HA LYS 92 -2.072 -7.912 1.194 735 1HB LYS 92 1HB LYS 92 -2.489 -9.888 2.632 736 2HB LYS 92 2HB LYS 92 -1.846 -10.371 1.061 737 1HG LYS 92 1HG LYS 92 0.421 -10.518 2.036 738 2HG LYS 92 2HG LYS 92 -0.231 -10.056 3.609 739 1HD LYS 92 1HD LYS 92 -1.354 -12.420 2.115 740 2HD LYS 92 2HD LYS 92 0.091 -12.588 3.112 741 1HE LYS 92 1HE LYS 92 -1.068 -12.262 5.086 742 2HE LYS 92 2HE LYS 92 -2.261 -11.190 4.326 743 1HZ LYS 92 1HZ LYS 92 -2.028 -14.081 3.698 744 2HZ LYS 92 2HZ LYS 92 -3.107 -13.470 4.854 745 3HZ LYS 92 3HZ LYS 92 -3.265 -13.017 3.224 746 H SER 93 H SER 93 -2.781 -7.197 3.340 747 HA SER 93 HA SER 93 -0.685 -6.804 5.403 748 1HB SER 93 1HB SER 93 -0.357 -4.885 4.008 749 2HB SER 93 2HB SER 93 -2.091 -4.635 3.826 750 HG SER 93 HG SER 93 -0.902 -3.280 5.412 751 H GLU 94 H GLU 94 -1.962 -5.165 7.130 752 HA GLU 94 HA GLU 94 -4.416 -6.702 7.825 753 1HB GLU 94 1HB GLU 94 -2.454 -6.411 9.386 754 2HB GLU 94 2HB GLU 94 -2.810 -4.683 9.422 755 1HG GLU 94 1HG GLU 94 -5.173 -5.320 10.145 756 2HG GLU 94 2HG GLU 94 -4.557 -6.954 10.393 757 H LYS 95 H LYS 95 -4.388 -4.560 5.723 758 HA LYS 95 HA LYS 95 -6.767 -3.126 6.587 759 1HB LYS 95 1HB LYS 95 -5.723 -0.895 6.622 760 2HB LYS 95 2HB LYS 95 -4.952 -1.945 7.812 761 1HG LYS 95 1HG LYS 95 -2.973 -2.008 6.672 762 2HG LYS 95 2HG LYS 95 -3.765 -1.999 5.096 763 1HD LYS 95 1HD LYS 95 -3.857 0.301 4.998 764 2HD LYS 95 2HD LYS 95 -3.979 0.474 6.750 765 1HE LYS 95 1HE LYS 95 -1.709 0.560 7.017 766 2HE LYS 95 2HE LYS 95 -1.426 -0.691 5.791 767 1HZ LYS 95 1HZ LYS 95 -2.023 0.922 4.076 768 2HZ LYS 95 2HZ LYS 95 -2.229 2.121 5.256 769 3HZ LYS 95 3HZ LYS 95 -0.689 1.460 4.979 770 H PHE 96 H PHE 96 -4.665 -4.288 4.256 771 HA PHE 96 HA PHE 96 -6.363 -3.533 2.052 772 1HB PHE 96 1HB PHE 96 -4.978 -1.848 1.029 773 2HB PHE 96 2HB PHE 96 -5.190 -1.368 2.713 774 HD1 PHE 96 HD1 PHE 96 -2.944 -3.768 0.887 775 HD2 PHE 96 HD2 PHE 96 -3.252 -0.498 3.656 776 HE1 PHE 96 HE1 PHE 96 -0.486 -3.810 1.210 777 HE2 PHE 96 HE2 PHE 96 -0.794 -0.539 3.979 778 HZ PHE 96 HZ PHE 96 0.589 -2.197 2.756 779 H SER 97 H SER 97 -5.761 -4.685 0.161 780 HA SER 97 HA SER 97 -3.299 -6.387 0.414 781 1HB SER 97 1HB SER 97 -6.083 -7.028 0.218 782 2HB SER 97 2HB SER 97 -5.294 -7.572 -1.259 783 HG SER 97 HG SER 97 -4.925 -8.366 1.389 784 H HIS 98 H HIS 98 -2.328 -6.988 -1.678 785 HA HIS 98 HA HIS 98 -3.166 -5.326 -4.011 786 1HB HIS 98 1HB HIS 98 -1.461 -4.131 -2.607 787 2HB HIS 98 2HB HIS 98 -0.353 -5.475 -2.880 788 HD2 HIS 98 HD2 HIS 98 -1.569 -2.275 -4.711 789 HE1 HIS 98 HE1 HIS 98 0.748 -4.472 -7.491 790 HE2 HIS 98 HE2 HIS 98 -0.403 -2.279 -7.025 791 H GLU 99 H GLU 99 -2.903 -6.439 -5.936 792 HA GLU 99 HA GLU 99 -1.027 -8.734 -6.072 793 1HB GLU 99 1HB GLU 99 -3.138 -9.605 -5.129 794 2HB GLU 99 2HB GLU 99 -4.027 -8.929 -6.494 795 1HG GLU 99 1HG GLU 99 -2.516 -10.328 -8.002 796 2HG GLU 99 2HG GLU 99 -1.980 -11.154 -6.538 797 H GLN 100 H GLN 100 -0.058 -8.644 -8.060 798 HA GLN 100 HA GLN 100 -1.622 -7.521 -10.357 799 1HB GLN 100 1HB GLN 100 -0.165 -5.785 -9.509 800 2HB GLN 100 2HB GLN 100 1.198 -6.902 -9.432 801 1HG GLN 100 1HG GLN 100 1.106 -7.167 -11.895 802 2HG GLN 100 2HG GLN 100 -0.221 -6.007 -11.958 803 1HE2 GLN 100 2HE2 GLN 100 2.755 -5.883 -9.942 804 2HE2 GLN 100 1HE2 GLN 100 3.311 -4.415 -10.585 805 H GLU 101 H GLU 101 -0.931 -8.354 -12.441 806 HA GLU 101 HA GLU 101 1.065 -10.556 -12.442 807 1HB GLU 101 1HB GLU 101 -1.259 -11.387 -11.798 808 2HB GLU 101 2HB GLU 101 -1.779 -10.927 -13.419 809 1HG GLU 101 1HG GLU 101 -0.214 -12.455 -14.436 810 2HG GLU 101 2HG GLU 101 0.546 -12.792 -12.879 811 H VAL 102 H VAL 102 1.628 -11.196 -14.676 812 HA VAL 102 HA VAL 102 0.915 -9.088 -16.692 813 HB VAL 102 HB VAL 102 3.235 -9.028 -15.737 814 1HG1 VAL 102 1HG1 VAL 102 3.418 -11.486 -15.373 815 2HG1 VAL 102 2HG1 VAL 102 3.490 -11.716 -17.120 816 3HG1 VAL 102 3HG1 VAL 102 4.779 -10.844 -16.291 817 1HG2 VAL 102 1HG2 VAL 102 2.546 -8.454 -18.193 818 2HG2 VAL 102 2HG2 VAL 102 4.260 -8.612 -17.811 819 3HG2 VAL 102 3HG2 VAL 102 3.408 -9.936 -18.604 820 H LYS 103 H LYS 103 0.237 -9.846 -18.692 821 HA LYS 103 HA LYS 103 0.507 -12.780 -19.239 822 1HB LYS 103 1HB LYS 103 -1.909 -10.969 -19.262 823 2HB LYS 103 2HB LYS 103 -1.886 -12.464 -20.199 824 1HG LYS 103 1HG LYS 103 -1.287 -13.702 -18.102 825 2HG LYS 103 2HG LYS 103 -1.498 -12.198 -17.204 826 1HD LYS 103 1HD LYS 103 -3.839 -12.060 -18.042 827 2HD LYS 103 2HD LYS 103 -3.618 -13.614 -18.846 828 1HE LYS 103 1HE LYS 103 -4.444 -14.454 -16.872 829 2HE LYS 103 2HE LYS 103 -2.780 -14.214 -16.302 830 1HZ LYS 103 1HZ LYS 103 -3.425 -11.886 -15.769 831 2HZ LYS 103 2HZ LYS 103 -5.040 -12.298 -16.100 832 3HZ LYS 103 3HZ LYS 103 -4.219 -13.050 -14.819 833 H GLY 104 H GLY 104 2.146 -12.374 -20.827 834 1HA GLY 104 1HA GLY 104 2.728 -12.124 -23.110 835 2HA GLY 104 2HA GLY 104 1.118 -11.472 -23.416 836 H ASN 105 H ASN 105 0.926 -9.281 -23.640 837 HA ASN 105 HA ASN 105 3.307 -7.614 -22.888 838 1HB ASN 105 1HB ASN 105 1.501 -7.776 -25.267 839 2HB ASN 105 2HB ASN 105 2.150 -6.193 -24.837 840 1HD2 ASN 105 2HD2 ASN 105 4.443 -5.841 -25.092 841 2HD2 ASN 105 1HD2 ASN 105 5.454 -6.971 -25.857 842 H GLU 106 H GLU 106 0.427 -8.317 -21.678 843 HA GLU 106 HA GLU 106 -0.312 -5.463 -21.106 844 1HB GLU 106 1HB GLU 106 -1.936 -8.014 -21.329 845 2HB GLU 106 2HB GLU 106 -2.599 -6.501 -20.711 846 1HG GLU 106 1HG GLU 106 -2.054 -5.373 -22.821 847 2HG GLU 106 2HG GLU 106 -1.334 -6.859 -23.444 848 H MET 107 H MET 107 -0.990 -5.027 -18.897 849 HA MET 107 HA MET 107 -0.150 -7.113 -16.910 850 1HB MET 107 1HB MET 107 1.557 -5.380 -17.155 851 2HB MET 107 2HB MET 107 0.343 -4.118 -16.945 852 1HG MET 107 1HG MET 107 1.274 -4.291 -14.798 853 2HG MET 107 2HG MET 107 -0.157 -5.314 -14.680 854 1HE MET 107 1HE MET 107 3.255 -4.675 -14.868 855 2HE MET 107 2HE MET 107 3.901 -5.867 -13.741 856 3HE MET 107 3HE MET 107 4.079 -6.118 -15.477 857 H VAL 108 H VAL 108 -1.546 -7.347 -15.156 858 HA VAL 108 HA VAL 108 -3.866 -5.448 -15.003 859 HB VAL 108 HB VAL 108 -3.766 -8.461 -14.636 860 1HG1 VAL 108 1HG1 VAL 108 -5.415 -7.237 -13.175 861 2HG1 VAL 108 2HG1 VAL 108 -6.163 -6.605 -14.642 862 3HG1 VAL 108 3HG1 VAL 108 -6.165 -8.341 -14.330 863 1HG2 VAL 108 1HG2 VAL 108 -3.583 -7.623 -16.994 864 2HG2 VAL 108 2HG2 VAL 108 -5.059 -8.542 -16.699 865 3HG2 VAL 108 3HG2 VAL 108 -5.115 -6.780 -16.773 866 H GLU 109 H GLU 109 -4.027 -4.503 -13.008 867 HA GLU 109 HA GLU 109 -2.641 -5.832 -10.702 868 1HB GLU 109 1HB GLU 109 -3.098 -2.980 -11.564 869 2HB GLU 109 2HB GLU 109 -2.730 -3.352 -9.880 870 1HG GLU 109 1HG GLU 109 -0.645 -4.411 -10.499 871 2HG GLU 109 2HG GLU 109 -1.035 -4.276 -12.214 872 H THR 110 H THR 110 -3.885 -6.295 -8.901 873 HA THR 110 HA THR 110 -6.701 -5.253 -8.863 874 HB THR 110 HB THR 110 -7.148 -7.531 -7.765 875 HG1 THR 110 HG1 THR 110 -4.663 -8.150 -8.963 876 1HG2 THR 110 1HG2 THR 110 -6.086 -8.007 -10.510 877 2HG2 THR 110 2HG2 THR 110 -7.656 -8.426 -9.825 878 3HG2 THR 110 3HG2 THR 110 -7.324 -6.766 -10.321 879 H ILE 111 H ILE 111 -7.081 -4.049 -7.048 880 HA ILE 111 HA ILE 111 -5.547 -4.709 -4.556 881 HB ILE 111 HB ILE 111 -6.227 -1.990 -5.726 882 1HG1 ILE 111 1HG1 ILE 111 -3.558 -3.398 -5.390 883 2HG1 ILE 111 2HG1 ILE 111 -4.417 -3.216 -6.920 884 1HG2 ILE 111 1HG2 ILE 111 -6.203 -2.151 -3.206 885 2HG2 ILE 111 2HG2 ILE 111 -4.523 -2.676 -3.314 886 3HG2 ILE 111 3HG2 ILE 111 -4.981 -1.066 -3.870 887 1HD1 ILE 111 1HD1 ILE 111 -4.382 -0.703 -6.499 888 2HD1 ILE 111 2HD1 ILE 111 -3.252 -1.029 -5.184 889 3HD1 ILE 111 3HD1 ILE 111 -2.815 -1.437 -6.844 890 H THR 112 H THR 112 -6.892 -5.008 -2.818 891 HA THR 112 HA THR 112 -9.724 -4.048 -3.058 892 HB THR 112 HB THR 112 -9.448 -6.475 -3.025 893 HG1 THR 112 HG1 THR 112 -10.224 -5.605 -0.444 894 1HG2 THR 112 1HG2 THR 112 -8.374 -7.557 -1.046 895 2HG2 THR 112 2HG2 THR 112 -7.242 -6.604 -2.006 896 3HG2 THR 112 3HG2 THR 112 -7.871 -5.961 -0.489 897 H PHE 113 H PHE 113 -10.411 -2.592 -1.525 898 HA PHE 113 HA PHE 113 -9.097 -2.476 1.125 899 1HB PHE 113 1HB PHE 113 -7.779 -1.116 -0.589 900 2HB PHE 113 2HB PHE 113 -9.187 -0.059 -0.699 901 HD1 PHE 113 HD1 PHE 113 -10.162 0.729 1.653 902 HD2 PHE 113 HD2 PHE 113 -6.133 -0.600 0.979 903 HE1 PHE 113 HE1 PHE 113 -9.426 1.924 3.697 904 HE2 PHE 113 HE2 PHE 113 -5.397 0.595 3.023 905 HZ PHE 113 HZ PHE 113 -7.043 1.857 4.383 906 H GLY 114 H GLY 114 -10.737 -2.161 2.575 907 1HA GLY 114 1HA GLY 114 -12.714 -1.296 3.517 908 2HA GLY 114 2HA GLY 114 -12.783 -0.147 2.179 909 H GLY 115 H GLY 115 -12.617 -3.646 1.762 910 1HA GLY 115 1HA GLY 115 -14.238 -5.169 0.980 911 2HA GLY 115 2HA GLY 115 -15.477 -3.973 1.363 912 H VAL 116 H VAL 116 -13.152 -2.459 -0.473 913 HA VAL 116 HA VAL 116 -14.782 -2.849 -2.957 914 HB VAL 116 HB VAL 116 -12.983 -0.589 -2.019 915 1HG1 VAL 116 1HG1 VAL 116 -13.096 -0.797 -4.485 916 2HG1 VAL 116 2HG1 VAL 116 -14.857 -0.776 -4.399 917 3HG1 VAL 116 3HG1 VAL 116 -13.933 0.650 -3.924 918 1HG2 VAL 116 1HG2 VAL 116 -15.409 -1.203 -1.004 919 2HG2 VAL 116 2HG2 VAL 116 -14.855 0.460 -1.197 920 3HG2 VAL 116 3HG2 VAL 116 -15.917 -0.262 -2.407 921 H THR 117 H THR 117 -13.732 -3.501 -4.838 922 HA THR 117 HA THR 117 -10.794 -4.059 -4.608 923 HB THR 117 HB THR 117 -12.936 -5.365 -6.318 924 HG1 THR 117 HG1 THR 117 -13.355 -5.962 -4.273 925 1HG2 THR 117 1HG2 THR 117 -10.342 -6.668 -5.655 926 2HG2 THR 117 2HG2 THR 117 -11.313 -6.777 -7.123 927 3HG2 THR 117 3HG2 THR 117 -10.303 -5.359 -6.836 928 H LEU 118 H LEU 118 -9.462 -3.120 -6.136 929 HA LEU 118 HA LEU 118 -10.783 -1.580 -8.346 930 1HB LEU 118 1HB LEU 118 -9.655 -0.203 -6.684 931 2HB LEU 118 2HB LEU 118 -8.197 -1.188 -6.807 932 HG LEU 118 HG LEU 118 -8.083 -0.551 -9.252 933 1HD1 LEU 118 1HD1 LEU 118 -10.647 0.517 -8.633 934 2HD1 LEU 118 2HD1 LEU 118 -9.593 1.880 -9.014 935 3HD1 LEU 118 3HD1 LEU 118 -9.798 0.571 -10.179 936 1HD2 LEU 118 1HD2 LEU 118 -7.007 0.667 -7.135 937 2HD2 LEU 118 2HD2 LEU 118 -6.830 1.333 -8.759 938 3HD2 LEU 118 3HD2 LEU 118 -8.050 1.986 -7.667 939 H ILE 119 H ILE 119 -10.088 -1.980 -10.447 940 HA ILE 119 HA ILE 119 -7.887 -3.995 -10.784 941 HB ILE 119 HB ILE 119 -10.448 -3.511 -12.342 942 1HG1 ILE 119 1HG1 ILE 119 -9.555 -5.943 -10.767 943 2HG1 ILE 119 2HG1 ILE 119 -10.587 -4.680 -10.095 944 1HG2 ILE 119 1HG2 ILE 119 -8.070 -5.305 -12.828 945 2HG2 ILE 119 2HG2 ILE 119 -9.668 -5.718 -13.453 946 3HG2 ILE 119 3HG2 ILE 119 -8.880 -4.223 -13.963 947 1HD1 ILE 119 1HD1 ILE 119 -11.439 -5.742 -12.724 948 2HD1 ILE 119 2HD1 ILE 119 -11.549 -6.877 -11.378 949 3HD1 ILE 119 3HD1 ILE 119 -12.406 -5.338 -11.305 950 H ARG 120 H ARG 120 -6.130 -2.839 -11.525 951 HA ARG 120 HA ARG 120 -6.597 -0.627 -13.485 952 1HB ARG 120 1HB ARG 120 -4.212 -1.387 -11.765 953 2HB ARG 120 2HB ARG 120 -4.316 0.050 -12.782 954 1HG ARG 120 1HG ARG 120 -6.584 0.385 -11.391 955 2HG ARG 120 2HG ARG 120 -5.678 -0.545 -10.197 956 1HD ARG 120 1HD ARG 120 -4.654 1.974 -11.560 957 2HD ARG 120 2HD ARG 120 -5.295 1.896 -9.906 958 HE ARG 120 HE ARG 120 -3.445 -0.017 -9.715 959 1HH1 ARG 120 1HH1 ARG 120 -3.229 3.280 -9.954 960 2HH1 ARG 120 2HH1 ARG 120 -1.558 3.336 -10.408 961 1HH2 ARG 120 1HH2 ARG 120 -1.309 -0.086 -10.919 962 2HH2 ARG 120 2HH2 ARG 120 -0.471 1.430 -10.954 963 H ARG 121 H ARG 121 -6.231 -1.166 -15.598 964 HA ARG 121 HA ARG 121 -4.492 -3.514 -16.209 965 1HB ARG 121 1HB ARG 121 -6.792 -2.076 -17.466 966 2HB ARG 121 2HB ARG 121 -5.661 -2.901 -18.540 967 1HG ARG 121 1HG ARG 121 -5.949 -4.973 -17.153 968 2HG ARG 121 2HG ARG 121 -7.204 -4.133 -16.241 969 1HD ARG 121 1HD ARG 121 -8.493 -3.794 -18.338 970 2HD ARG 121 2HD ARG 121 -7.247 -4.692 -19.229 971 HE ARG 121 HE ARG 121 -7.782 -6.502 -17.343 972 1HH1 ARG 121 1HH1 ARG 121 -10.279 -4.596 -16.967 973 2HH1 ARG 121 2HH1 ARG 121 -11.483 -5.565 -17.748 974 1HH2 ARG 121 1HH2 ARG 121 -9.183 -7.685 -19.245 975 2HH2 ARG 121 2HH2 ARG 121 -10.862 -7.314 -19.038 976 H SER 122 H SER 122 -2.470 -3.132 -17.024 977 HA SER 122 HA SER 122 -1.931 -0.448 -18.258 978 1HB SER 122 1HB SER 122 -0.027 -2.220 -16.700 979 2HB SER 122 2HB SER 122 0.242 -0.551 -17.196 980 HG SER 122 HG SER 122 -0.911 -1.456 -14.983 981 H LYS 123 H LYS 123 -0.125 -0.515 -19.873 982 HA LYS 123 HA LYS 123 0.134 -3.202 -21.185 983 1HB LYS 123 1HB LYS 123 -1.461 -1.357 -22.149 984 2HB LYS 123 2HB LYS 123 0.034 -0.591 -22.684 985 1HG LYS 123 1HG LYS 123 0.675 -2.643 -23.880 986 2HG LYS 123 2HG LYS 123 -0.802 -3.433 -23.331 987 1HD LYS 123 1HD LYS 123 -2.104 -1.582 -24.463 988 2HD LYS 123 2HD LYS 123 -0.582 -1.037 -25.170 989 1HE LYS 123 1HE LYS 123 -0.277 -3.233 -26.253 990 2HE LYS 123 2HE LYS 123 -1.793 -3.804 -25.529 991 1HZ LYS 123 1HZ LYS 123 -2.880 -1.827 -26.561 992 2HZ LYS 123 2HZ LYS 123 -1.442 -1.543 -27.421 993 3HZ LYS 123 3HZ LYS 123 -2.316 -2.972 -27.682 994 H ARG 124 H ARG 124 2.129 -3.430 -22.462 995 HA ARG 124 HA ARG 124 4.413 -2.057 -21.211 996 1HB ARG 124 1HB ARG 124 4.316 -4.504 -21.683 997 2HB ARG 124 2HB ARG 124 4.237 -4.144 -23.408 998 1HG ARG 124 1HG ARG 124 6.418 -2.995 -23.269 999 2HG ARG 124 2HG ARG 124 6.501 -3.364 -21.546 1000 1HD ARG 124 1HD ARG 124 6.448 -5.788 -22.061 1001 2HD ARG 124 2HD ARG 124 6.396 -5.410 -23.794 1002 HE ARG 124 HE ARG 124 8.566 -3.978 -23.036 1003 1HH1 ARG 124 1HH1 ARG 124 8.603 -5.846 -20.599 1004 2HH1 ARG 124 2HH1 ARG 124 9.739 -7.042 -21.127 1005 1HH2 ARG 124 1HH2 ARG 124 9.587 -6.096 -24.460 1006 2HH2 ARG 124 2HH2 ARG 124 10.297 -7.183 -23.313 1007 H VAL 125 HN VAL 125 5.631 -0.456 -22.193 1008 HA VAL 125 HA VAL 125 4.942 0.253 -25.029 1009 HB VAL 125 HB VAL 125 5.299 2.606 -24.280 1010 1HG1 VAL 125 1HG1 VAL 125 3.258 0.823 -22.994 1011 2HG1 VAL 125 2HG1 VAL 125 3.322 2.522 -22.528 1012 3HG1 VAL 125 3HG1 VAL 125 3.033 2.081 -24.210 1013 1HG2 VAL 125 1HG2 VAL 125 6.871 2.001 -22.420 1014 2HG2 VAL 125 2HG2 VAL 125 5.582 3.091 -21.911 1015 3HG2 VAL 125 3HG2 VAL 125 5.494 1.376 -21.513 1016 1H1 JN3 130 1H1 JN3 130 -3.944 1.911 -6.962 1017 2H1 JN3 130 2H1 JN3 130 -3.512 3.206 -8.129 1018 1H2 JN3 130 1H2 JN3 130 -1.285 3.299 -7.224 1019 2H2 JN3 130 2H2 JN3 130 -1.703 1.637 -7.795 1020 H3 JN3 130 H3 JN3 130 -2.261 0.948 -5.391 1021 HO3 JN3 130 HO3 JN3 130 -0.044 1.445 -4.376 1022 1H4 JN3 130 1H4 JN3 130 -1.419 3.790 -4.657 1023 2H4 JN3 130 2H4 JN3 130 -1.874 2.517 -3.508 1024 H5 JN3 130 H5 JN3 130 -4.233 2.434 -4.598 1025 1H6 JN3 130 1H6 JN3 130 -3.909 3.955 -2.623 1026 2H6 JN3 130 2H6 JN3 130 -5.105 4.556 -3.761 1027 H7 JN3 130 H7 JN3 130 -3.575 6.362 -2.971 1028 HO7 JN3 130 HO7 JN3 130 -1.629 5.299 -2.624 1029 H8 JN3 130 H8 JN3 130 -4.592 6.539 -5.207 1030 H9 JN3 130 H9 JN3 130 -1.913 5.151 -6.175 1031 1H11 JN3 130 1H11 JN3 130 -4.301 6.203 -7.831 1032 2H11 JN3 130 2H11 JN3 130 -2.940 5.305 -8.505 1033 1H12 JN3 130 1H12 JN3 130 -2.555 7.725 -8.848 1034 2H12 JN3 130 2H12 JN3 130 -1.371 7.139 -7.677 1035 H14 JN3 130 H14 JN3 130 -1.640 7.578 -5.207 1036 1H15 JN3 130 1H15 JN3 130 -2.624 8.775 -3.404 1037 2H15 JN3 130 2H15 JN3 130 -4.175 8.930 -4.222 1038 1H16 JN3 130 1H16 JN3 130 -1.732 10.539 -4.577 1039 2H16 JN3 130 2H16 JN3 130 -3.388 10.850 -5.212 1040 H17 JN3 130 H17 JN3 130 -1.042 9.436 -6.610 1041 1H18 JN3 130 1H18 JN3 130 -4.880 9.442 -6.278 1042 2H18 JN3 130 2H18 JN3 130 -4.737 9.080 -8.014 1043 3H18 JN3 130 3H18 JN3 130 -5.131 7.781 -6.864 1044 1H19 JN3 130 1H19 JN3 130 -5.707 4.804 -5.676 1045 2H19 JN3 130 2H19 JN3 130 -5.506 4.392 -7.396 1046 3H19 JN3 130 3H19 JN3 130 -5.858 3.113 -6.209 1047 H20 JN3 130 H20 JN3 130 -3.197 11.278 -7.646 1048 1H21 JN3 130 1H21 JN3 130 -2.150 11.350 -9.773 1049 2H21 JN3 130 2H21 JN3 130 -1.078 10.007 -9.311 1050 3H21 JN3 130 3H21 JN3 130 -2.834 9.743 -9.429 1051 1H22 JN3 130 1H22 JN3 130 -0.315 11.830 -8.081 1052 2H22 JN3 130 2H22 JN3 130 -0.852 11.829 -6.366 1053 1H23 JN3 130 1H23 JN3 130 -2.692 13.510 -7.267 1054 2H23 JN3 130 2H23 JN3 130 -1.571 13.751 -8.583 1055 1H1 JN3 131 1H1 JN3 131 5.081 -4.910 -4.500 1056 2H1 JN3 131 2H1 JN3 131 3.456 -4.999 -3.739 1057 1H2 JN3 131 1H2 JN3 131 2.474 -3.985 -5.688 1058 2H2 JN3 131 2H2 JN3 131 3.385 -5.488 -6.106 1059 H3 JN3 131 H3 JN3 131 5.395 -4.072 -6.828 1060 HO3 JN3 131 HO3 JN3 131 3.961 -2.575 -8.448 1061 1H4 JN3 131 1H4 JN3 131 3.629 -1.680 -6.136 1062 2H4 JN3 131 2H4 JN3 131 5.246 -1.595 -6.858 1063 H5 JN3 131 H5 JN3 131 6.208 -2.762 -4.742 1064 1H6 JN3 131 1H6 JN3 131 6.174 -0.248 -4.781 1065 2H6 JN3 131 2H6 JN3 131 5.987 -0.911 -3.165 1066 H7 JN3 131 H7 JN3 131 4.407 0.973 -3.593 1067 HO7 JN3 131 HO7 JN3 131 3.600 1.047 -5.571 1068 H8 JN3 131 H8 JN3 131 3.771 -0.794 -1.997 1069 H9 JN3 131 H9 JN3 131 2.365 -2.107 -4.515 1070 1H11 JN3 131 1H11 JN3 131 2.400 -3.033 -1.567 1071 2H11 JN3 131 2H11 JN3 131 1.701 -3.962 -2.894 1072 1H12 JN3 131 1H12 JN3 131 -0.105 -2.726 -1.740 1073 2H12 JN3 131 2H12 JN3 131 0.100 -2.029 -3.349 1074 H14 JN3 131 H14 JN3 131 1.316 0.157 -3.688 1075 1H15 JN3 131 1H15 JN3 131 2.201 2.195 -2.844 1076 2H15 JN3 131 2H15 JN3 131 2.661 1.473 -1.306 1077 1H16 JN3 131 1H16 JN3 131 0.015 2.435 -2.177 1078 2H16 JN3 131 2H16 JN3 131 0.549 1.943 -0.529 1079 H17 JN3 131 H17 JN3 131 -0.860 0.239 -2.668 1080 1H18 JN3 131 1H18 JN3 131 1.733 0.088 0.178 1081 2H18 JN3 131 2H18 JN3 131 0.938 -1.486 0.423 1082 3H18 JN3 131 3H18 JN3 131 2.533 -1.407 -0.364 1083 1H19 JN3 131 1H19 JN3 131 5.217 -2.337 -1.952 1084 2H19 JN3 131 2H19 JN3 131 4.422 -3.920 -1.785 1085 3H19 JN3 131 3H19 JN3 131 5.998 -3.798 -2.603 1086 H20 JN3 131 H20 JN3 131 -1.042 -0.237 0.296 1087 1H21 JN3 131 1H21 JN3 131 -3.276 -0.934 -0.091 1088 2H21 JN3 131 2H21 JN3 131 -3.075 -0.671 -1.839 1089 3H21 JN3 131 3H21 JN3 131 -2.111 -1.916 -1.009 1090 1H22 JN3 131 1H22 JN3 131 -3.121 1.487 -0.959 1091 2H22 JN3 131 2H22 JN3 131 -1.511 2.240 -0.694 1092 1H23 JN3 131 1H23 JN3 131 -1.996 1.170 1.782 1093 2H23 JN3 131 2H23 JN3 131 -3.626 1.541 1.280 Start of MODEL 6 1 1H ALA 1 1H ALA 1 8.485 -12.043 -15.413 2 2H ALA 1 2H ALA 1 8.943 -11.120 -16.764 3 3H ALA 1 3H ALA 1 8.635 -12.782 -16.932 4 HA ALA 1 HA ALA 1 6.737 -11.629 -17.783 5 1HB ALA 1 1HB ALA 1 6.613 -13.690 -16.261 6 2HB ALA 1 2HB ALA 1 6.134 -12.582 -14.974 7 3HB ALA 1 3HB ALA 1 5.127 -12.753 -16.413 8 H PHE 2 H PHE 2 7.214 -10.767 -14.331 9 HA PHE 2 HA PHE 2 5.433 -8.468 -14.497 10 1HB PHE 2 1HB PHE 2 7.412 -9.577 -12.498 11 2HB PHE 2 2HB PHE 2 6.529 -8.080 -12.192 12 HD1 PHE 2 HD1 PHE 2 4.099 -8.083 -11.888 13 HD2 PHE 2 HD2 PHE 2 6.262 -11.728 -12.589 14 HE1 PHE 2 HE1 PHE 2 2.119 -9.396 -11.172 15 HE2 PHE 2 HE2 PHE 2 4.283 -13.040 -11.874 16 HZ PHE 2 HZ PHE 2 2.212 -11.873 -11.165 17 H SER 3 H SER 3 8.932 -8.985 -14.701 18 HA SER 3 HA SER 3 9.851 -6.320 -14.434 19 1HB SER 3 1HB SER 3 11.791 -7.175 -15.682 20 2HB SER 3 2HB SER 3 11.218 -8.396 -14.550 21 HG SER 3 HG SER 3 11.649 -9.011 -16.853 22 H GLY 4 H GLY 4 10.090 -4.620 -15.942 23 1HA GLY 4 1HA GLY 4 10.096 -4.092 -18.451 24 2HA GLY 4 2HA GLY 4 8.560 -4.960 -18.490 25 H THR 5 H THR 5 8.133 -2.594 -19.408 26 HA THR 5 HA THR 5 7.459 -0.752 -17.150 27 HB THR 5 HB THR 5 7.293 0.903 -19.041 28 HG1 THR 5 HG1 THR 5 8.275 0.036 -21.033 29 1HG2 THR 5 1HG2 THR 5 9.862 0.388 -19.730 30 2HG2 THR 5 2HG2 THR 5 9.400 1.102 -18.185 31 3HG2 THR 5 3HG2 THR 5 9.719 -0.629 -18.297 32 H TRP 6 H TRP 6 5.313 -0.364 -16.682 33 HA TRP 6 HA TRP 6 3.261 -1.467 -18.577 34 1HB TRP 6 1HB TRP 6 3.330 -1.314 -15.546 35 2HB TRP 6 2HB TRP 6 1.956 -1.902 -16.483 36 HD1 TRP 6 HD1 TRP 6 5.093 -3.040 -14.918 37 HE1 TRP 6 HE1 TRP 6 5.664 -5.440 -15.664 38 HE3 TRP 6 HE3 TRP 6 1.814 -3.561 -18.799 39 HZ2 TRP 6 HZ2 TRP 6 4.839 -7.332 -17.645 40 HZ3 TRP 6 HZ3 TRP 6 1.729 -5.670 -20.097 41 HH2 TRP 6 HH2 TRP 6 3.234 -7.555 -19.526 42 H GLN 7 H GLN 7 1.497 -0.119 -19.027 43 HA GLN 7 HA GLN 7 1.518 2.590 -17.730 44 1HB GLN 7 1HB GLN 7 1.438 1.642 -20.556 45 2HB GLN 7 2HB GLN 7 0.455 3.054 -20.166 46 1HG GLN 7 1HG GLN 7 2.565 3.982 -19.011 47 2HG GLN 7 2HG GLN 7 3.442 2.719 -19.877 48 1HE2 GLN 7 2HE2 GLN 7 4.539 4.164 -21.344 49 2HE2 GLN 7 1HE2 GLN 7 3.710 5.051 -22.532 50 H VAL 8 H VAL 8 -0.329 2.821 -16.534 51 HA VAL 8 HA VAL 8 -2.616 1.094 -16.731 52 HB VAL 8 HB VAL 8 -2.299 3.871 -15.542 53 1HG1 VAL 8 1HG1 VAL 8 -4.652 3.014 -15.776 54 2HG1 VAL 8 2HG1 VAL 8 -4.194 1.629 -14.783 55 3HG1 VAL 8 3HG1 VAL 8 -4.151 3.256 -14.102 56 1HG2 VAL 8 1HG2 VAL 8 -0.614 2.101 -14.831 57 2HG2 VAL 8 2HG2 VAL 8 -1.591 2.770 -13.525 58 3HG2 VAL 8 3HG2 VAL 8 -1.973 1.181 -14.187 59 H TYR 9 H TYR 9 -4.275 1.184 -18.193 60 HA TYR 9 HA TYR 9 -4.792 3.789 -19.591 61 1HB TYR 9 1HB TYR 9 -5.219 2.406 -21.609 62 2HB TYR 9 2HB TYR 9 -3.581 2.167 -21.001 63 HD1 TYR 9 HD1 TYR 9 -7.031 0.737 -20.865 64 HD2 TYR 9 HD2 TYR 9 -2.822 0.020 -20.388 65 HE1 TYR 9 HE1 TYR 9 -7.473 -1.690 -20.616 66 HE2 TYR 9 HE2 TYR 9 -3.265 -2.408 -20.139 67 HH TYR 9 HH TYR 9 -6.563 -3.666 -19.969 68 H ALA 10 H ALA 10 -6.067 0.933 -18.036 69 HA ALA 10 HA ALA 10 -8.824 2.074 -18.303 70 1HB ALA 10 1HB ALA 10 -7.853 -0.770 -18.695 71 2HB ALA 10 2HB ALA 10 -9.557 -0.349 -18.522 72 3HB ALA 10 3HB ALA 10 -8.630 0.266 -19.891 73 H GLN 11 H GLN 11 -9.880 2.166 -16.343 74 HA GLN 11 HA GLN 11 -9.027 0.359 -14.136 75 1HB GLN 11 1HB GLN 11 -9.075 3.393 -14.032 76 2HB GLN 11 2HB GLN 11 -8.740 2.335 -12.660 77 1HG GLN 11 1HG GLN 11 -6.574 2.290 -13.263 78 2HG GLN 11 2HG GLN 11 -7.038 1.495 -14.769 79 1HE2 GLN 11 2HE2 GLN 11 -5.901 4.479 -13.391 80 2HE2 GLN 11 1HE2 GLN 11 -5.908 5.385 -14.826 81 H GLU 12 H GLU 12 -10.987 -0.558 -13.614 82 HA GLU 12 HA GLU 12 -13.486 1.005 -13.849 83 1HB GLU 12 1HB GLU 12 -13.197 -1.371 -14.617 84 2HB GLU 12 2HB GLU 12 -12.969 -1.842 -12.933 85 1HG GLU 12 1HG GLU 12 -15.195 -1.052 -12.357 86 2HG GLU 12 2HG GLU 12 -15.427 -0.414 -13.985 87 H ASN 13 H ASN 13 -14.814 1.519 -12.050 88 HA ASN 13 HA ASN 13 -15.248 2.128 -9.808 89 1HB ASN 13 1HB ASN 13 -13.590 -0.378 -9.365 90 2HB ASN 13 2HB ASN 13 -14.727 0.329 -8.216 91 1HD2 ASN 13 2HD2 ASN 13 -14.615 -2.274 -10.078 92 2HD2 ASN 13 1HD2 ASN 13 -16.205 -2.342 -10.669 93 H TYR 14 H TYR 14 -12.623 2.947 -11.191 94 HA TYR 14 HA TYR 14 -10.452 3.003 -9.378 95 1HB TYR 14 1HB TYR 14 -10.501 3.694 -11.790 96 2HB TYR 14 2HB TYR 14 -11.362 5.157 -11.313 97 HD1 TYR 14 HD1 TYR 14 -8.446 3.274 -9.881 98 HD2 TYR 14 HD2 TYR 14 -9.956 7.013 -11.361 99 HE1 TYR 14 HE1 TYR 14 -6.288 4.364 -9.327 100 HE2 TYR 14 HE2 TYR 14 -7.799 8.104 -10.807 101 HH TYR 14 HH TYR 14 -5.010 6.455 -10.203 102 H GLU 15 H GLU 15 -13.001 5.488 -9.836 103 HA GLU 15 HA GLU 15 -12.173 7.174 -7.677 104 1HB GLU 15 1HB GLU 15 -13.768 7.577 -9.662 105 2HB GLU 15 2HB GLU 15 -15.001 6.788 -8.677 106 1HG GLU 15 1HG GLU 15 -14.675 8.434 -6.894 107 2HG GLU 15 2HG GLU 15 -13.381 9.202 -7.815 108 H GLU 16 H GLU 16 -14.725 4.659 -7.822 109 HA GLU 16 HA GLU 16 -15.677 4.833 -5.178 110 1HB GLU 16 1HB GLU 16 -15.334 2.608 -7.187 111 2HB GLU 16 2HB GLU 16 -16.064 2.290 -5.613 112 1HG GLU 16 1HG GLU 16 -17.642 4.235 -6.097 113 2HG GLU 16 2HG GLU 16 -17.036 4.195 -7.753 114 H PHE 17 H PHE 17 -13.263 2.432 -6.321 115 HA PHE 17 HA PHE 17 -12.436 1.410 -3.863 116 1HB PHE 17 1HB PHE 17 -11.649 0.498 -5.933 117 2HB PHE 17 2HB PHE 17 -10.948 2.040 -6.424 118 HD1 PHE 17 HD1 PHE 17 -10.573 -0.889 -4.215 119 HD2 PHE 17 HD2 PHE 17 -8.839 2.826 -5.494 120 HE1 PHE 17 HE1 PHE 17 -8.432 -1.515 -3.129 121 HE2 PHE 17 HE2 PHE 17 -6.699 2.201 -4.410 122 HZ PHE 17 HZ PHE 17 -6.495 0.031 -3.226 123 H LEU 18 H LEU 18 -10.807 4.116 -5.575 124 HA LEU 18 HA LEU 18 -9.044 4.854 -3.485 125 1HB LEU 18 1HB LEU 18 -10.281 6.108 -5.894 126 2HB LEU 18 2HB LEU 18 -9.480 7.188 -4.752 127 HG LEU 18 HG LEU 18 -7.944 4.751 -5.330 128 1HD1 LEU 18 1HD1 LEU 18 -8.903 6.544 -7.523 129 2HD1 LEU 18 2HD1 LEU 18 -7.227 5.998 -7.575 130 3HD1 LEU 18 3HD1 LEU 18 -8.538 4.819 -7.564 131 1HD2 LEU 18 1HD2 LEU 18 -7.533 7.705 -5.046 132 2HD2 LEU 18 2HD2 LEU 18 -6.721 6.379 -4.215 133 3HD2 LEU 18 3HD2 LEU 18 -6.295 6.766 -5.881 134 H LYS 19 H LYS 19 -12.319 6.104 -4.220 135 HA LYS 19 HA LYS 19 -12.649 8.099 -2.343 136 1HB LYS 19 1HB LYS 19 -14.358 7.318 -3.926 137 2HB LYS 19 2HB LYS 19 -14.536 5.818 -3.016 138 1HG LYS 19 1HG LYS 19 -14.804 8.077 -1.239 139 2HG LYS 19 2HG LYS 19 -15.921 8.244 -2.594 140 1HD LYS 19 1HD LYS 19 -15.909 5.505 -1.711 141 2HD LYS 19 2HD LYS 19 -16.196 6.561 -0.328 142 1HE LYS 19 1HE LYS 19 -18.356 6.084 -1.316 143 2HE LYS 19 2HE LYS 19 -17.949 7.754 -1.763 144 1HZ LYS 19 1HZ LYS 19 -16.983 6.920 -3.824 145 2HZ LYS 19 2HZ LYS 19 -17.423 5.332 -3.407 146 3HZ LYS 19 3HZ LYS 19 -18.622 6.497 -3.714 147 H ALA 20 H ALA 20 -12.806 4.589 -1.705 148 HA ALA 20 HA ALA 20 -13.459 4.832 1.095 149 1HB ALA 20 1HB ALA 20 -13.678 2.853 -0.545 150 2HB ALA 20 2HB ALA 20 -11.962 2.574 -0.248 151 3HB ALA 20 3HB ALA 20 -13.114 2.473 1.083 152 H LEU 21 H LEU 21 -10.443 4.893 -0.718 153 HA LEU 21 HA LEU 21 -8.580 4.310 1.341 154 1HB LEU 21 1HB LEU 21 -8.590 5.107 -1.321 155 2HB LEU 21 2HB LEU 21 -7.810 6.460 -0.499 156 HG LEU 21 HG LEU 21 -6.401 4.658 0.709 157 1HD1 LEU 21 1HD1 LEU 21 -7.745 3.089 -1.482 158 2HD1 LEU 21 2HD1 LEU 21 -6.131 2.643 -0.929 159 3HD1 LEU 21 3HD1 LEU 21 -7.484 2.637 0.203 160 1HD2 LEU 21 1HD2 LEU 21 -5.520 6.186 -1.027 161 2HD2 LEU 21 2HD2 LEU 21 -4.805 4.581 -1.174 162 3HD2 LEU 21 3HD2 LEU 21 -6.084 5.083 -2.281 163 H ALA 22 H ALA 22 -10.626 7.082 0.881 164 HA ALA 22 HA ALA 22 -11.002 8.869 2.418 165 1HB ALA 22 1HB ALA 22 -10.007 7.029 3.984 166 2HB ALA 22 2HB ALA 22 -8.519 7.966 3.868 167 3HB ALA 22 3HB ALA 22 -9.976 8.704 4.534 168 H LEU 23 H LEU 23 -9.228 8.920 0.007 169 HA LEU 23 HA LEU 23 -6.941 10.619 0.635 170 1HB LEU 23 1HB LEU 23 -8.366 9.562 -1.784 171 2HB LEU 23 2HB LEU 23 -7.216 10.883 -1.993 172 HG LEU 23 HG LEU 23 -6.521 8.363 -0.475 173 1HD1 LEU 23 1HD1 LEU 23 -6.213 8.999 -3.421 174 2HD1 LEU 23 2HD1 LEU 23 -5.307 7.725 -2.604 175 3HD1 LEU 23 3HD1 LEU 23 -7.066 7.631 -2.705 176 1HD2 LEU 23 1HD2 LEU 23 -5.045 10.750 -1.567 177 2HD2 LEU 23 2HD2 LEU 23 -4.954 10.032 0.042 178 3HD2 LEU 23 3HD2 LEU 23 -4.200 9.220 -1.330 179 HA PRO 24 HA PRO 24 -8.868 14.556 0.489 180 1HB PRO 24 1HB PRO 24 -7.056 16.051 -0.917 181 2HB PRO 24 2HB PRO 24 -6.769 15.495 0.744 182 1HG PRO 24 1HG PRO 24 -5.743 14.398 -1.821 183 2HG PRO 24 2HG PRO 24 -4.933 14.553 -0.255 184 1HD PRO 24 1HD PRO 24 -5.975 12.208 -1.202 185 2HD PRO 24 2HD PRO 24 -5.784 12.581 0.526 186 H GLU 25 H GLU 25 -10.363 15.635 -0.817 187 HA GLU 25 HA GLU 25 -11.126 14.556 -3.344 188 1HB GLU 25 1HB GLU 25 -12.578 15.809 -1.778 189 2HB GLU 25 2HB GLU 25 -11.650 17.275 -2.097 190 1HG GLU 25 1HG GLU 25 -12.261 17.112 -4.502 191 2HG GLU 25 2HG GLU 25 -13.249 15.698 -4.134 192 H ASP 26 H ASP 26 -9.147 17.399 -2.505 193 HA ASP 26 HA ASP 26 -8.867 18.525 -5.094 194 1HB ASP 26 1HB ASP 26 -7.065 18.374 -2.664 195 2HB ASP 26 2HB ASP 26 -6.695 19.384 -4.061 196 H LEU 27 H LEU 27 -7.379 15.690 -3.656 197 HA LEU 27 HA LEU 27 -5.362 15.463 -5.809 198 1HB LEU 27 1HB LEU 27 -4.775 14.915 -3.504 199 2HB LEU 27 2HB LEU 27 -6.111 13.765 -3.408 200 HG LEU 27 HG LEU 27 -4.985 12.617 -5.446 201 1HD1 LEU 27 1HD1 LEU 27 -2.832 14.482 -4.449 202 2HD1 LEU 27 2HD1 LEU 27 -2.425 12.966 -5.253 203 3HD1 LEU 27 3HD1 LEU 27 -3.355 14.197 -6.109 204 1HD2 LEU 27 1HD2 LEU 27 -4.302 12.552 -2.568 205 2HD2 LEU 27 2HD2 LEU 27 -4.801 11.240 -3.635 206 3HD2 LEU 27 3HD2 LEU 27 -3.122 11.782 -3.629 207 H ILE 28 H ILE 28 -8.529 14.233 -4.993 208 HA ILE 28 HA ILE 28 -8.392 11.914 -6.780 209 HB ILE 28 HB ILE 28 -10.646 13.347 -5.338 210 1HG1 ILE 28 1HG1 ILE 28 -9.211 10.753 -4.688 211 2HG1 ILE 28 2HG1 ILE 28 -8.844 12.302 -3.927 212 1HG2 ILE 28 1HG2 ILE 28 -10.551 10.802 -6.956 213 2HG2 ILE 28 2HG2 ILE 28 -11.755 11.036 -5.689 214 3HG2 ILE 28 3HG2 ILE 28 -11.703 12.132 -7.070 215 1HD1 ILE 28 1HD1 ILE 28 -11.688 11.362 -3.955 216 2HD1 ILE 28 2HD1 ILE 28 -10.568 10.628 -2.806 217 3HD1 ILE 28 3HD1 ILE 28 -10.853 12.368 -2.771 218 H LYS 29 H LYS 29 -9.911 15.148 -6.861 219 HA LYS 29 HA LYS 29 -11.104 14.790 -9.480 220 1HB LYS 29 1HB LYS 29 -10.379 17.281 -7.900 221 2HB LYS 29 2HB LYS 29 -11.527 17.209 -9.238 222 1HG LYS 29 1HG LYS 29 -12.652 15.323 -7.774 223 2HG LYS 29 2HG LYS 29 -11.792 16.119 -6.456 224 1HD LYS 29 1HD LYS 29 -13.649 17.521 -8.402 225 2HD LYS 29 2HD LYS 29 -14.092 17.027 -6.767 226 1HE LYS 29 1HE LYS 29 -12.460 18.522 -5.790 227 2HE LYS 29 2HE LYS 29 -11.772 18.889 -7.384 228 1HZ LYS 29 1HZ LYS 29 -14.605 19.368 -6.629 229 2HZ LYS 29 2HZ LYS 29 -13.403 20.569 -6.632 230 3HZ LYS 29 3HZ LYS 29 -13.857 19.812 -8.084 231 H MET 30 H MET 30 -7.948 15.775 -8.332 232 HA MET 30 HA MET 30 -7.163 16.964 -10.918 233 1HB MET 30 1HB MET 30 -5.929 16.499 -8.208 234 2HB MET 30 2HB MET 30 -4.919 16.990 -9.569 235 1HG MET 30 1HG MET 30 -6.442 18.936 -9.942 236 2HG MET 30 2HG MET 30 -7.335 18.473 -8.494 237 1HE MET 30 1HE MET 30 -6.643 21.190 -8.297 238 2HE MET 30 2HE MET 30 -7.074 20.278 -6.852 239 3HE MET 30 3HE MET 30 -5.693 21.383 -6.826 240 H ALA 31 H ALA 31 -6.691 13.960 -9.102 241 HA ALA 31 HA ALA 31 -4.855 12.922 -11.203 242 1HB ALA 31 1HB ALA 31 -4.302 12.703 -8.798 243 2HB ALA 31 2HB ALA 31 -5.797 11.801 -8.543 244 3HB ALA 31 3HB ALA 31 -4.515 11.119 -9.545 245 H ARG 32 H ARG 32 -8.103 13.171 -10.892 246 HA ARG 32 HA ARG 32 -9.083 10.500 -11.277 247 1HB ARG 32 1HB ARG 32 -11.118 11.648 -11.882 248 2HB ARG 32 2HB ARG 32 -10.332 12.619 -10.636 249 1HG ARG 32 1HG ARG 32 -9.324 14.037 -12.414 250 2HG ARG 32 2HG ARG 32 -10.199 13.101 -13.627 251 1HD ARG 32 1HD ARG 32 -12.336 13.713 -12.310 252 2HD ARG 32 2HD ARG 32 -11.333 14.940 -11.510 253 HE ARG 32 HE ARG 32 -10.940 15.974 -13.686 254 1HH1 ARG 32 1HH1 ARG 32 -13.868 14.459 -13.297 255 2HH1 ARG 32 2HH1 ARG 32 -14.238 14.317 -14.983 256 1HH2 ARG 32 1HH2 ARG 32 -11.082 15.296 -16.032 257 2HH2 ARG 32 2HH2 ARG 32 -12.661 14.790 -16.531 258 H ASP 33 H ASP 33 -7.028 12.252 -13.231 259 HA ASP 33 HA ASP 33 -7.686 10.557 -15.580 260 1HB ASP 33 1HB ASP 33 -7.633 13.590 -15.517 261 2HB ASP 33 2HB ASP 33 -7.627 12.647 -17.008 262 H ILE 34 H ILE 34 -5.463 10.289 -13.898 263 HA ILE 34 HA ILE 34 -3.237 11.470 -15.530 264 HB ILE 34 HB ILE 34 -3.712 11.006 -12.619 265 1HG1 ILE 34 1HG1 ILE 34 -2.158 13.080 -14.202 266 2HG1 ILE 34 2HG1 ILE 34 -3.822 13.260 -13.642 267 1HG2 ILE 34 1HG2 ILE 34 -1.207 10.337 -14.055 268 2HG2 ILE 34 2HG2 ILE 34 -1.017 11.356 -12.629 269 3HG2 ILE 34 3HG2 ILE 34 -1.790 9.777 -12.488 270 1HD1 ILE 34 1HD1 ILE 34 -2.865 12.762 -11.285 271 2HD1 ILE 34 2HD1 ILE 34 -1.295 13.122 -12.003 272 3HD1 ILE 34 3HD1 ILE 34 -2.556 14.354 -11.977 273 H LYS 35 H LYS 35 -2.223 9.930 -16.751 274 HA LYS 35 HA LYS 35 -2.503 7.063 -16.015 275 1HB LYS 35 1HB LYS 35 -1.575 6.783 -18.333 276 2HB LYS 35 2HB LYS 35 -3.038 7.769 -18.289 277 1HG LYS 35 1HG LYS 35 -1.943 9.582 -19.067 278 2HG LYS 35 2HG LYS 35 -0.641 9.379 -17.896 279 1HD LYS 35 1HD LYS 35 0.480 9.044 -19.920 280 2HD LYS 35 2HD LYS 35 0.081 7.392 -19.448 281 1HE LYS 35 1HE LYS 35 -2.035 7.606 -20.840 282 2HE LYS 35 2HE LYS 35 -1.371 9.129 -21.467 283 1HZ LYS 35 1HZ LYS 35 0.703 7.864 -21.972 284 2HZ LYS 35 2HZ LYS 35 -0.138 6.432 -21.612 285 3HZ LYS 35 3HZ LYS 35 -0.637 7.404 -22.909 286 HA PRO 36 HA PRO 36 1.729 8.021 -14.464 287 1HB PRO 36 1HB PRO 36 1.537 6.433 -12.243 288 2HB PRO 36 2HB PRO 36 0.975 8.116 -12.278 289 1HG PRO 36 1HG PRO 36 -0.588 5.596 -12.494 290 2HG PRO 36 2HG PRO 36 -0.994 7.110 -11.672 291 1HD PRO 36 1HD PRO 36 -2.004 6.383 -14.107 292 2HD PRO 36 2HD PRO 36 -1.824 8.069 -13.573 293 H ILE 37 H ILE 37 3.482 6.731 -15.018 294 HA ILE 37 HA ILE 37 2.921 4.028 -16.082 295 HB ILE 37 HB ILE 37 5.416 5.758 -16.000 296 1HG1 ILE 37 1HG1 ILE 37 3.982 5.306 -18.540 297 2HG1 ILE 37 2HG1 ILE 37 3.081 6.254 -17.357 298 1HG2 ILE 37 1HG2 ILE 37 4.735 3.263 -17.588 299 2HG2 ILE 37 2HG2 ILE 37 6.168 4.259 -17.846 300 3HG2 ILE 37 3HG2 ILE 37 5.958 3.394 -16.323 301 1HD1 ILE 37 1HD1 ILE 37 5.131 7.697 -17.072 302 2HD1 ILE 37 2HD1 ILE 37 5.855 6.832 -18.428 303 3HD1 ILE 37 3HD1 ILE 37 4.397 7.794 -18.673 304 H VAL 38 H VAL 38 4.224 2.173 -15.393 305 HA VAL 38 HA VAL 38 5.477 2.462 -12.686 306 HB VAL 38 HB VAL 38 3.422 0.458 -13.669 307 1HG1 VAL 38 1HG1 VAL 38 5.176 0.476 -11.207 308 2HG1 VAL 38 2HG1 VAL 38 3.650 -0.407 -11.262 309 3HG1 VAL 38 3HG1 VAL 38 4.953 -0.826 -12.376 310 1HG2 VAL 38 1HG2 VAL 38 2.931 2.884 -12.671 311 2HG2 VAL 38 2HG2 VAL 38 1.934 1.498 -12.230 312 3HG2 VAL 38 3HG2 VAL 38 3.209 2.048 -11.143 313 H GLU 39 H GLU 39 7.594 1.891 -13.051 314 HA GLU 39 HA GLU 39 8.247 -0.145 -15.111 315 1HB GLU 39 1HB GLU 39 9.350 2.214 -14.525 316 2HB GLU 39 2HB GLU 39 10.263 1.232 -13.377 317 1HG GLU 39 1HG GLU 39 11.003 -0.247 -15.178 318 2HG GLU 39 2HG GLU 39 10.027 0.646 -16.344 319 H ILE 40 H ILE 40 9.008 -2.190 -14.580 320 HA ILE 40 HA ILE 40 9.417 -2.790 -11.668 321 HB ILE 40 HB ILE 40 8.108 -4.476 -13.828 322 1HG1 ILE 40 1HG1 ILE 40 6.899 -3.066 -11.426 323 2HG1 ILE 40 2HG1 ILE 40 6.769 -2.501 -13.092 324 1HG2 ILE 40 1HG2 ILE 40 9.298 -5.768 -12.057 325 2HG2 ILE 40 2HG2 ILE 40 8.339 -4.931 -10.837 326 3HG2 ILE 40 3HG2 ILE 40 7.551 -5.999 -11.997 327 1HD1 ILE 40 1HD1 ILE 40 5.670 -4.640 -13.712 328 2HD1 ILE 40 2HD1 ILE 40 5.751 -5.152 -12.027 329 3HD1 ILE 40 3HD1 ILE 40 4.759 -3.766 -12.480 330 H GLN 41 H GLN 41 11.412 -3.670 -11.271 331 HA GLN 41 HA GLN 41 12.797 -5.118 -13.501 332 1HB GLN 41 1HB GLN 41 13.515 -2.705 -13.116 333 2HB GLN 41 2HB GLN 41 14.087 -3.214 -11.527 334 1HG GLN 41 1HG GLN 41 15.472 -4.981 -12.703 335 2HG GLN 41 2HG GLN 41 15.045 -4.197 -14.225 336 1HE2 GLN 41 2HE2 GLN 41 15.769 -1.907 -14.511 337 2HE2 GLN 41 1HE2 GLN 41 17.109 -1.336 -13.639 338 H GLN 42 H GLN 42 11.852 -6.978 -12.154 339 HA GLN 42 HA GLN 42 12.959 -7.451 -9.491 340 1HB GLN 42 1HB GLN 42 11.829 -9.683 -9.886 341 2HB GLN 42 2HB GLN 42 10.771 -8.288 -10.105 342 1HG GLN 42 1HG GLN 42 10.789 -8.476 -12.441 343 2HG GLN 42 2HG GLN 42 12.283 -9.413 -12.450 344 1HE2 GLN 42 2HE2 GLN 42 12.104 -11.694 -12.340 345 2HE2 GLN 42 1HE2 GLN 42 10.630 -12.515 -12.157 346 H LYS 43 H LYS 43 14.315 -9.410 -9.043 347 HA LYS 43 HA LYS 43 15.910 -10.469 -11.298 348 1HB LYS 43 1HB LYS 43 16.918 -8.608 -9.140 349 2HB LYS 43 2HB LYS 43 18.010 -9.690 -10.005 350 1HG LYS 43 1HG LYS 43 16.189 -7.633 -11.292 351 2HG LYS 43 2HG LYS 43 17.932 -7.468 -11.080 352 1HD LYS 43 1HD LYS 43 18.308 -9.453 -12.481 353 2HD LYS 43 2HD LYS 43 16.567 -9.656 -12.676 354 1HE LYS 43 1HE LYS 43 17.478 -8.496 -14.643 355 2HE LYS 43 2HE LYS 43 16.475 -7.364 -13.715 356 1HZ LYS 43 1HZ LYS 43 19.393 -7.683 -13.285 357 2HZ LYS 43 2HZ LYS 43 18.734 -6.502 -14.314 358 3HZ LYS 43 3HZ LYS 43 18.382 -6.477 -12.651 359 H GLY 44 H GLY 44 14.205 -11.925 -9.667 360 1HA GLY 44 1HA GLY 44 14.888 -14.195 -8.837 361 2HA GLY 44 2HA GLY 44 16.103 -13.369 -7.860 362 H ASP 45 H ASP 45 15.492 -12.494 -5.885 363 HA ASP 45 HA ASP 45 12.657 -13.000 -5.062 364 1HB ASP 45 1HB ASP 45 15.351 -13.097 -3.741 365 2HB ASP 45 2HB ASP 45 13.926 -12.799 -2.744 366 H ASP 46 H ASP 46 14.861 -10.520 -5.796 367 HA ASP 46 HA ASP 46 13.595 -8.555 -3.951 368 1HB ASP 46 1HB ASP 46 16.094 -8.782 -4.305 369 2HB ASP 46 2HB ASP 46 15.844 -8.215 -5.957 370 H PHE 47 H PHE 47 12.700 -6.556 -4.855 371 HA PHE 47 HA PHE 47 11.988 -6.668 -7.757 372 1HB PHE 47 1HB PHE 47 10.279 -6.944 -5.370 373 2HB PHE 47 2HB PHE 47 9.695 -5.754 -6.534 374 HD1 PHE 47 HD1 PHE 47 11.205 -9.195 -6.521 375 HD2 PHE 47 HD2 PHE 47 8.324 -6.519 -8.250 376 HE1 PHE 47 HE1 PHE 47 10.383 -11.024 -7.981 377 HE2 PHE 47 HE2 PHE 47 7.503 -8.346 -9.711 378 HZ PHE 47 HZ PHE 47 8.532 -10.599 -9.576 379 H VAL 48 H VAL 48 12.172 -4.660 -8.702 380 HA VAL 48 HA VAL 48 12.510 -2.301 -6.879 381 HB VAL 48 HB VAL 48 13.574 -2.870 -9.666 382 1HG1 VAL 48 1HG1 VAL 48 14.074 -0.590 -7.729 383 2HG1 VAL 48 2HG1 VAL 48 14.993 -0.865 -9.209 384 3HG1 VAL 48 3HG1 VAL 48 13.275 -0.477 -9.297 385 1HG2 VAL 48 1HG2 VAL 48 14.652 -3.238 -6.895 386 2HG2 VAL 48 2HG2 VAL 48 14.867 -4.251 -8.324 387 3HG2 VAL 48 3HG2 VAL 48 15.768 -2.742 -8.168 388 H VAL 49 H VAL 49 10.402 -1.451 -6.867 389 HA VAL 49 HA VAL 49 9.018 -1.071 -9.481 390 HB VAL 49 HB VAL 49 8.011 -2.132 -7.349 391 1HG1 VAL 49 1HG1 VAL 49 8.979 0.117 -6.147 392 2HG1 VAL 49 2HG1 VAL 49 7.308 0.596 -6.442 393 3HG1 VAL 49 3HG1 VAL 49 7.656 -0.850 -5.495 394 1HG2 VAL 49 1HG2 VAL 49 6.919 -0.450 -9.373 395 2HG2 VAL 49 2HG2 VAL 49 6.097 -1.716 -8.461 396 3HG2 VAL 49 3HG2 VAL 49 6.096 -0.056 -7.865 397 H THR 50 H THR 50 8.784 0.976 -10.346 398 HA THR 50 HA THR 50 9.418 3.334 -8.617 399 HB THR 50 HB THR 50 10.493 2.802 -11.406 400 HG1 THR 50 HG1 THR 50 11.757 2.665 -8.871 401 1HG2 THR 50 1HG2 THR 50 12.028 4.715 -10.729 402 2HG2 THR 50 2HG2 THR 50 10.344 5.158 -11.013 403 3HG2 THR 50 3HG2 THR 50 10.944 4.986 -9.363 404 H SER 51 H SER 51 7.384 4.293 -8.657 405 HA SER 51 HA SER 51 5.800 4.347 -11.150 406 1HB SER 51 1HB SER 51 5.391 5.404 -8.336 407 2HB SER 51 2HB SER 51 4.175 5.496 -9.608 408 HG SER 51 HG SER 51 3.856 3.396 -9.467 409 H LYS 52 H LYS 52 5.573 6.165 -12.448 410 HA LYS 52 HA LYS 52 6.889 8.699 -11.526 411 1HB LYS 52 1HB LYS 52 7.013 7.289 -14.211 412 2HB LYS 52 2HB LYS 52 7.664 8.901 -13.911 413 1HG LYS 52 1HG LYS 52 9.104 7.943 -12.112 414 2HG LYS 52 2HG LYS 52 8.514 6.336 -12.535 415 1HD LYS 52 1HD LYS 52 9.367 6.652 -14.846 416 2HD LYS 52 2HD LYS 52 10.010 8.226 -14.377 417 1HE LYS 52 1HE LYS 52 11.646 7.280 -12.969 418 2HE LYS 52 2HE LYS 52 10.773 5.740 -12.838 419 1HZ LYS 52 1HZ LYS 52 11.074 5.497 -15.280 420 2HZ LYS 52 2HZ LYS 52 12.097 6.848 -15.256 421 3HZ LYS 52 3HZ LYS 52 12.529 5.442 -14.406 422 H THR 53 H THR 53 5.336 10.273 -11.462 423 HA THR 53 HA THR 53 2.993 10.055 -13.311 424 HB THR 53 HB THR 53 2.706 12.062 -11.290 425 HG1 THR 53 HG1 THR 53 3.510 9.542 -10.282 426 1HG2 THR 53 1HG2 THR 53 1.529 9.310 -11.085 427 2HG2 THR 53 2HG2 THR 53 0.768 10.875 -10.793 428 3HG2 THR 53 3HG2 THR 53 1.081 10.341 -12.444 429 HA PRO 54 HA PRO 54 4.139 13.722 -15.427 430 1HB PRO 54 1HB PRO 54 1.754 15.036 -15.700 431 2HB PRO 54 2HB PRO 54 2.155 13.565 -16.607 432 1HG PRO 54 1HG PRO 54 0.456 13.893 -14.189 433 2HG PRO 54 2HG PRO 54 0.239 12.828 -15.585 434 1HD PRO 54 1HD PRO 54 1.201 11.987 -13.168 435 2HD PRO 54 2HD PRO 54 1.583 11.197 -14.714 436 H ARG 55 H ARG 55 2.515 14.015 -12.356 437 HA ARG 55 HA ARG 55 3.300 16.886 -12.118 438 1HB ARG 55 1HB ARG 55 1.487 15.030 -10.549 439 2HB ARG 55 2HB ARG 55 1.816 16.694 -10.069 440 1HG ARG 55 1HG ARG 55 0.953 17.491 -12.242 441 2HG ARG 55 2HG ARG 55 0.612 15.826 -12.715 442 1HD ARG 55 1HD ARG 55 -1.475 16.544 -11.887 443 2HD ARG 55 2HD ARG 55 -0.761 15.773 -10.456 444 HE ARG 55 HE ARG 55 -0.485 18.714 -10.954 445 1HH1 ARG 55 1HH1 ARG 55 0.632 16.714 -8.707 446 2HH1 ARG 55 2HH1 ARG 55 -0.297 17.301 -7.368 447 1HH2 ARG 55 1HH2 ARG 55 -2.455 19.166 -9.339 448 2HH2 ARG 55 2HH2 ARG 55 -2.044 18.688 -7.725 449 H GLN 56 H GLN 56 4.132 13.691 -11.024 450 HA GLN 56 HA GLN 56 6.485 14.699 -9.616 451 1HB GLN 56 1HB GLN 56 5.748 13.855 -7.398 452 2HB GLN 56 2HB GLN 56 4.679 15.127 -7.990 453 1HG GLN 56 1HG GLN 56 2.967 13.614 -8.531 454 2HG GLN 56 2HG GLN 56 4.069 12.237 -8.573 455 1HE2 GLN 56 2HE2 GLN 56 5.198 11.844 -6.302 456 2HE2 GLN 56 1HE2 GLN 56 4.181 11.973 -4.949 457 H THR 57 H THR 57 7.859 12.891 -8.885 458 HA THR 57 HA THR 57 7.054 10.237 -10.029 459 HB THR 57 HB THR 57 9.548 10.106 -10.624 460 HG1 THR 57 HG1 THR 57 10.659 11.701 -9.870 461 1HG2 THR 57 1HG2 THR 57 8.374 12.412 -12.096 462 2HG2 THR 57 2HG2 THR 57 9.082 10.923 -12.721 463 3HG2 THR 57 3HG2 THR 57 7.442 10.916 -12.072 464 H VAL 58 H VAL 58 7.305 8.570 -8.580 465 HA VAL 58 HA VAL 58 9.090 9.022 -6.210 466 HB VAL 58 HB VAL 58 6.371 7.677 -6.345 467 1HG1 VAL 58 1HG1 VAL 58 7.993 6.772 -4.640 468 2HG1 VAL 58 2HG1 VAL 58 8.064 8.386 -3.933 469 3HG1 VAL 58 3HG1 VAL 58 6.545 7.492 -3.939 470 1HG2 VAL 58 1HG2 VAL 58 7.284 10.373 -5.304 471 2HG2 VAL 58 2HG2 VAL 58 6.096 10.062 -6.570 472 3HG2 VAL 58 3HG2 VAL 58 5.727 9.655 -4.893 473 H THR 59 H THR 59 10.597 7.413 -5.994 474 HA THR 59 HA THR 59 10.158 4.862 -7.504 475 HB THR 59 HB THR 59 12.706 6.170 -6.497 476 HG1 THR 59 HG1 THR 59 12.941 6.781 -8.668 477 1HG2 THR 59 1HG2 THR 59 12.741 4.263 -8.751 478 2HG2 THR 59 2HG2 THR 59 13.848 4.414 -7.386 479 3HG2 THR 59 3HG2 THR 59 12.318 3.559 -7.190 480 H ASN 60 H ASN 60 10.162 2.942 -6.351 481 HA ASN 60 HA ASN 60 11.013 3.029 -3.479 482 1HB ASN 60 1HB ASN 60 8.482 1.855 -4.680 483 2HB ASN 60 2HB ASN 60 8.962 1.693 -2.990 484 1HD2 ASN 60 2HD2 ASN 60 6.537 3.069 -3.907 485 2HD2 ASN 60 1HD2 ASN 60 6.688 4.695 -3.446 486 H SER 61 H SER 61 11.719 0.949 -2.667 487 HA SER 61 HA SER 61 11.990 -1.245 -4.671 488 1HB SER 61 1HB SER 61 13.991 0.175 -4.822 489 2HB SER 61 2HB SER 61 14.221 0.062 -3.078 490 HG SER 61 HG SER 61 15.335 -1.654 -3.551 491 H PHE 62 H PHE 62 11.478 -3.165 -3.692 492 HA PHE 62 HA PHE 62 12.002 -3.474 -0.765 493 1HB PHE 62 1HB PHE 62 9.713 -4.372 -0.522 494 2HB PHE 62 2HB PHE 62 9.670 -2.724 -1.150 495 HD1 PHE 62 HD1 PHE 62 9.283 -6.300 -2.011 496 HD2 PHE 62 HD2 PHE 62 8.967 -2.253 -3.417 497 HE1 PHE 62 HE1 PHE 62 8.051 -7.092 -4.011 498 HE2 PHE 62 HE2 PHE 62 7.735 -3.046 -5.419 499 HZ PHE 62 HZ PHE 62 7.277 -5.465 -5.715 500 H THR 63 H THR 63 11.748 -5.854 -0.137 501 HA THR 63 HA THR 63 12.583 -7.619 -2.418 502 HB THR 63 HB THR 63 13.368 -7.697 0.515 503 HG1 THR 63 HG1 THR 63 14.793 -6.857 -1.789 504 1HG2 THR 63 1HG2 THR 63 14.867 -9.091 -1.659 505 2HG2 THR 63 2HG2 THR 63 14.668 -9.541 0.035 506 3HG2 THR 63 3HG2 THR 63 13.354 -9.812 -1.110 507 H LEU 64 H LEU 64 11.569 -9.641 -2.545 508 HA LEU 64 HA LEU 64 9.039 -9.983 -1.154 509 1HB LEU 64 1HB LEU 64 10.729 -11.703 -2.991 510 2HB LEU 64 2HB LEU 64 9.116 -12.166 -2.446 511 HG LEU 64 HG LEU 64 9.505 -9.455 -3.664 512 1HD1 LEU 64 1HD1 LEU 64 9.622 -12.099 -5.074 513 2HD1 LEU 64 2HD1 LEU 64 8.793 -10.753 -5.857 514 3HD1 LEU 64 3HD1 LEU 64 10.497 -10.607 -5.423 515 1HD2 LEU 64 1HD2 LEU 64 7.297 -11.500 -3.414 516 2HD2 LEU 64 2HD2 LEU 64 7.326 -9.842 -2.813 517 3HD2 LEU 64 3HD2 LEU 64 7.175 -10.150 -4.543 518 H GLY 65 H GLY 65 8.775 -10.940 0.823 519 1HA GLY 65 1HA GLY 65 9.114 -12.774 2.374 520 2HA GLY 65 2HA GLY 65 10.713 -13.030 1.672 521 H LYS 66 H LYS 66 10.424 -9.771 1.956 522 HA LYS 66 HA LYS 66 11.371 -9.704 4.794 523 1HB LYS 66 1HB LYS 66 12.707 -8.626 2.296 524 2HB LYS 66 2HB LYS 66 13.195 -8.159 3.925 525 1HG LYS 66 1HG LYS 66 13.004 -11.062 3.127 526 2HG LYS 66 2HG LYS 66 14.464 -10.122 2.816 527 1HD LYS 66 1HD LYS 66 14.435 -9.478 5.277 528 2HD LYS 66 2HD LYS 66 13.178 -10.696 5.493 529 1HE LYS 66 1HE LYS 66 14.664 -12.461 4.731 530 2HE LYS 66 2HE LYS 66 15.910 -11.274 4.295 531 1HZ LYS 66 1HZ LYS 66 15.816 -10.498 6.646 532 2HZ LYS 66 2HZ LYS 66 14.831 -11.836 7.004 533 3HZ LYS 66 3HZ LYS 66 16.424 -12.072 6.465 534 H GLU 67 H GLU 67 10.757 -7.819 5.889 535 HA GLU 67 HA GLU 67 8.613 -6.225 4.809 536 1HB GLU 67 1HB GLU 67 8.987 -6.769 7.204 537 2HB GLU 67 2HB GLU 67 10.451 -5.783 7.186 538 1HG GLU 67 1HG GLU 67 9.100 -3.804 6.564 539 2HG GLU 67 2HG GLU 67 7.639 -4.793 6.624 540 H ALA 68 H ALA 68 8.785 -4.456 3.490 541 HA ALA 68 HA ALA 68 11.377 -2.943 3.480 542 1HB ALA 68 1HB ALA 68 10.777 -4.552 1.526 543 2HB ALA 68 2HB ALA 68 9.584 -3.332 1.084 544 3HB ALA 68 3HB ALA 68 11.298 -2.918 1.115 545 H ASP 69 H ASP 69 11.161 -0.662 3.175 546 HA ASP 69 HA ASP 69 8.605 0.470 4.060 547 1HB ASP 69 1HB ASP 69 11.219 1.736 3.173 548 2HB ASP 69 2HB ASP 69 9.928 2.553 4.053 549 H ILE 70 H ILE 70 7.107 1.492 2.748 550 HA ILE 70 HA ILE 70 7.838 1.911 -0.132 551 HB ILE 70 HB ILE 70 5.527 0.526 1.200 552 1HG1 ILE 70 1HG1 ILE 70 7.397 -0.796 0.295 553 2HG1 ILE 70 2HG1 ILE 70 5.934 -1.080 -0.649 554 1HG2 ILE 70 1HG2 ILE 70 4.618 2.386 -0.245 555 2HG2 ILE 70 2HG2 ILE 70 5.438 1.640 -1.616 556 3HG2 ILE 70 3HG2 ILE 70 4.156 0.768 -0.776 557 1HD1 ILE 70 1HD1 ILE 70 6.806 0.854 -2.158 558 2HD1 ILE 70 2HD1 ILE 70 8.360 0.548 -1.382 559 3HD1 ILE 70 3HD1 ILE 70 7.569 -0.730 -2.304 560 H THR 71 H THR 71 6.981 3.808 -1.059 561 HA THR 71 HA THR 71 5.538 5.640 0.830 562 HB THR 71 HB THR 71 6.664 7.359 -0.807 563 HG1 THR 71 HG1 THR 71 8.296 6.582 -1.969 564 1HG2 THR 71 1HG2 THR 71 8.919 6.862 0.512 565 2HG2 THR 71 2HG2 THR 71 7.490 7.471 1.348 566 3HG2 THR 71 3HG2 THR 71 7.876 5.750 1.400 567 H THR 72 H THR 72 3.576 6.433 0.123 568 HA THR 72 HA THR 72 2.513 5.472 -2.452 569 HB THR 72 HB THR 72 0.944 7.355 -0.813 570 HG1 THR 72 HG1 THR 72 2.067 6.492 0.872 571 1HG2 THR 72 1HG2 THR 72 -0.330 4.937 -0.800 572 2HG2 THR 72 2HG2 THR 72 -0.489 6.133 -2.086 573 3HG2 THR 72 3HG2 THR 72 0.652 4.799 -2.258 574 H MET 73 H MET 73 1.646 6.936 -4.073 575 HA MET 73 HA MET 73 3.299 9.222 -4.647 576 1HB MET 73 1HB MET 73 1.757 7.568 -6.073 577 2HB MET 73 2HB MET 73 0.580 8.861 -5.842 578 1HG MET 73 1HG MET 73 2.342 10.480 -6.671 579 2HG MET 73 2HG MET 73 3.321 9.081 -7.110 580 1HE MET 73 1HE MET 73 2.299 7.061 -8.493 581 2HE MET 73 2HE MET 73 0.742 7.124 -7.671 582 3HE MET 73 3HE MET 73 0.801 7.142 -9.431 583 H ASP 74 H ASP 74 0.530 8.826 -2.644 584 HA ASP 74 HA ASP 74 -0.381 11.621 -2.869 585 1HB ASP 74 1HB ASP 74 -2.023 10.853 -1.194 586 2HB ASP 74 2HB ASP 74 -1.910 9.696 -2.521 587 H GLY 75 H GLY 75 1.996 9.890 -1.106 588 1HA GLY 75 1HA GLY 75 3.621 11.149 0.234 589 2HA GLY 75 2HA GLY 75 2.311 12.222 0.728 590 H LYS 76 H LYS 76 1.917 8.737 0.614 591 HA LYS 76 HA LYS 76 1.552 8.759 3.582 592 1HB LYS 76 1HB LYS 76 0.288 7.504 1.248 593 2HB LYS 76 2HB LYS 76 0.593 6.365 2.560 594 1HG LYS 76 1HG LYS 76 -0.502 7.984 4.137 595 2HG LYS 76 2HG LYS 76 -0.937 8.974 2.743 596 1HD LYS 76 1HD LYS 76 -2.184 7.076 1.778 597 2HD LYS 76 2HD LYS 76 -1.755 6.086 3.173 598 1HE LYS 76 1HE LYS 76 -2.958 7.635 4.668 599 2HE LYS 76 2HE LYS 76 -3.372 8.660 3.279 600 1HZ LYS 76 1HZ LYS 76 -4.007 5.764 3.426 601 2HZ LYS 76 2HZ LYS 76 -5.106 6.981 3.869 602 3HZ LYS 76 3HZ LYS 76 -4.548 6.878 2.268 603 H LYS 77 H LYS 77 2.900 7.514 4.856 604 HA LYS 77 HA LYS 77 4.944 5.832 3.448 605 1HB LYS 77 1HB LYS 77 5.582 7.915 4.783 606 2HB LYS 77 2HB LYS 77 5.059 7.041 6.223 607 1HG LYS 77 1HG LYS 77 6.718 5.347 5.914 608 2HG LYS 77 2HG LYS 77 7.088 5.912 4.285 609 1HD LYS 77 1HD LYS 77 8.833 6.884 5.466 610 2HD LYS 77 2HD LYS 77 7.636 8.176 5.549 611 1HE LYS 77 1HE LYS 77 6.940 7.467 7.775 612 2HE LYS 77 2HE LYS 77 8.006 6.050 7.691 613 1HZ LYS 77 1HZ LYS 77 9.869 7.621 7.281 614 2HZ LYS 77 2HZ LYS 77 8.815 8.907 7.615 615 3HZ LYS 77 3HZ LYS 77 9.180 7.773 8.826 616 H LEU 78 H LEU 78 4.960 3.657 3.920 617 HA LEU 78 HA LEU 78 3.943 2.637 6.483 618 1HB LEU 78 1HB LEU 78 2.125 1.347 5.413 619 2HB LEU 78 2HB LEU 78 1.903 3.076 5.147 620 HG LEU 78 HG LEU 78 3.559 1.838 3.081 621 1HD1 LEU 78 1HD1 LEU 78 1.257 0.369 3.968 622 2HD1 LEU 78 2HD1 LEU 78 0.918 1.043 2.375 623 3HD1 LEU 78 3HD1 LEU 78 2.330 0.013 2.614 624 1HD2 LEU 78 1HD2 LEU 78 1.008 3.474 3.147 625 2HD2 LEU 78 2HD2 LEU 78 2.639 4.054 2.809 626 3HD2 LEU 78 3HD2 LEU 78 1.821 3.002 1.654 627 H LYS 79 H LYS 79 4.250 0.240 6.599 628 HA LYS 79 HA LYS 79 6.467 -0.639 4.791 629 1HB LYS 79 1HB LYS 79 5.620 -1.680 7.512 630 2HB LYS 79 2HB LYS 79 7.136 -2.016 6.675 631 1HG LYS 79 1HG LYS 79 7.814 0.308 6.852 632 2HG LYS 79 2HG LYS 79 6.248 0.752 7.532 633 1HD LYS 79 1HD LYS 79 6.718 -0.837 9.436 634 2HD LYS 79 2HD LYS 79 8.351 -1.024 8.795 635 1HE LYS 79 1HE LYS 79 7.369 1.771 9.193 636 2HE LYS 79 2HE LYS 79 7.799 0.838 10.641 637 1HZ LYS 79 1HZ LYS 79 9.875 0.193 9.459 638 2HZ LYS 79 2HZ LYS 79 9.486 1.313 8.243 639 3HZ LYS 79 3HZ LYS 79 9.785 1.845 9.829 640 H CYS 80 H CYS 80 6.436 -2.921 4.113 641 HA CYS 80 HA CYS 80 4.024 -4.532 4.497 642 1HB CYS 80 1HB CYS 80 3.366 -4.391 2.091 643 2HB CYS 80 2HB CYS 80 3.235 -2.835 2.912 644 HG CYS 80 HG CYS 80 4.571 -2.623 0.588 645 H THR 81 H THR 81 4.380 -6.685 3.792 646 HA THR 81 HA THR 81 7.153 -7.249 2.809 647 HB THR 81 HB THR 81 6.345 -9.588 3.791 648 HG1 THR 81 HG1 THR 81 4.736 -9.415 5.209 649 1HG2 THR 81 1HG2 THR 81 7.143 -8.808 6.045 650 2HG2 THR 81 2HG2 THR 81 8.207 -8.353 4.714 651 3HG2 THR 81 3HG2 THR 81 7.121 -7.158 5.423 652 H VAL 82 H VAL 82 6.544 -6.998 0.537 653 HA VAL 82 HA VAL 82 4.373 -8.191 -0.796 654 HB VAL 82 HB VAL 82 7.229 -7.981 -1.793 655 1HG1 VAL 82 1HG1 VAL 82 4.514 -7.822 -3.133 656 2HG1 VAL 82 2HG1 VAL 82 6.033 -7.426 -3.936 657 3HG1 VAL 82 3HG1 VAL 82 5.740 -9.069 -3.368 658 1HG2 VAL 82 1HG2 VAL 82 5.358 -5.930 -0.861 659 2HG2 VAL 82 2HG2 VAL 82 7.073 -5.788 -1.248 660 3HG2 VAL 82 3HG2 VAL 82 5.868 -5.670 -2.530 661 H HIS 83 H HIS 83 4.211 -10.226 -1.959 662 HA HIS 83 HA HIS 83 6.219 -12.326 -1.372 663 1HB HIS 83 1HB HIS 83 3.804 -11.887 0.125 664 2HB HIS 83 2HB HIS 83 3.666 -13.418 -0.739 665 HD1 HIS 83 HD1 HIS 83 5.854 -11.636 1.776 666 HD2 HIS 83 HD2 HIS 83 5.356 -15.463 0.201 667 HE1 HIS 83 HE1 HIS 83 7.285 -13.182 3.182 668 H LEU 84 H LEU 84 6.095 -14.052 -2.879 669 HA LEU 84 HA LEU 84 4.318 -13.542 -5.220 670 1HB LEU 84 1HB LEU 84 6.947 -14.882 -4.685 671 2HB LEU 84 2HB LEU 84 6.019 -15.383 -6.099 672 HG LEU 84 HG LEU 84 6.562 -12.470 -5.524 673 1HD1 LEU 84 1HD1 LEU 84 8.714 -13.774 -5.659 674 2HD1 LEU 84 2HD1 LEU 84 8.234 -14.294 -7.275 675 3HD1 LEU 84 3HD1 LEU 84 8.517 -12.584 -6.946 676 1HD2 LEU 84 1HD2 LEU 84 4.785 -13.132 -7.161 677 2HD2 LEU 84 2HD2 LEU 84 6.110 -12.242 -7.912 678 3HD2 LEU 84 3HD2 LEU 84 6.011 -13.994 -8.090 679 H ALA 85 H ALA 85 2.360 -14.569 -4.646 680 HA ALA 85 HA ALA 85 2.540 -17.475 -3.920 681 1HB ALA 85 1HB ALA 85 0.460 -15.328 -3.404 682 2HB ALA 85 2HB ALA 85 0.230 -17.027 -2.995 683 3HB ALA 85 3HB ALA 85 1.507 -16.097 -2.211 684 H ASN 86 H ASN 86 1.083 -18.919 -5.025 685 HA ASN 86 HA ASN 86 0.077 -19.732 -7.012 686 1HB ASN 86 1HB ASN 86 -1.444 -17.810 -5.699 687 2HB ASN 86 2HB ASN 86 -1.478 -17.276 -7.381 688 1HD2 ASN 86 2HD2 ASN 86 -3.771 -17.939 -7.543 689 2HD2 ASN 86 1HD2 ASN 86 -4.184 -19.579 -7.673 690 H GLY 87 H GLY 87 2.427 -17.642 -7.190 691 1HA GLY 87 1HA GLY 87 3.707 -16.933 -9.048 692 2HA GLY 87 2HA GLY 87 2.432 -17.538 -10.107 693 H LYS 88 H LYS 88 2.386 -15.088 -7.502 694 HA LYS 88 HA LYS 88 2.011 -12.883 -9.376 695 1HB LYS 88 1HB LYS 88 -0.323 -12.570 -9.079 696 2HB LYS 88 2HB LYS 88 -0.152 -14.311 -9.309 697 1HG LYS 88 1HG LYS 88 0.213 -13.978 -6.573 698 2HG LYS 88 2HG LYS 88 -1.074 -12.836 -6.961 699 1HD LYS 88 1HD LYS 88 -1.336 -15.476 -8.259 700 2HD LYS 88 2HD LYS 88 -1.484 -15.500 -6.502 701 1HE LYS 88 1HE LYS 88 -3.704 -15.100 -7.302 702 2HE LYS 88 2HE LYS 88 -3.113 -13.502 -6.806 703 1HZ LYS 88 1HZ LYS 88 -2.735 -14.565 -9.546 704 2HZ LYS 88 2HZ LYS 88 -4.088 -13.633 -9.113 705 3HZ LYS 88 3HZ LYS 88 -2.532 -12.967 -9.009 706 H LEU 89 H LEU 89 2.790 -11.107 -8.306 707 HA LEU 89 HA LEU 89 3.620 -11.120 -5.589 708 1HB LEU 89 1HB LEU 89 4.291 -9.627 -7.563 709 2HB LEU 89 2HB LEU 89 2.834 -8.694 -7.220 710 HG LEU 89 HG LEU 89 4.483 -9.258 -4.845 711 1HD1 LEU 89 1HD1 LEU 89 5.599 -7.895 -7.261 712 2HD1 LEU 89 2HD1 LEU 89 5.953 -7.195 -5.681 713 3HD1 LEU 89 3HD1 LEU 89 6.425 -8.856 -6.035 714 1HD2 LEU 89 1HD2 LEU 89 3.174 -6.826 -6.095 715 2HD2 LEU 89 2HD2 LEU 89 2.612 -7.747 -4.699 716 3HD2 LEU 89 3HD2 LEU 89 4.073 -6.767 -4.579 717 H VAL 90 H VAL 90 2.648 -10.240 -3.704 718 HA VAL 90 HA VAL 90 -0.071 -9.086 -3.870 719 HB VAL 90 HB VAL 90 -0.909 -10.892 -2.311 720 1HG1 VAL 90 1HG1 VAL 90 -0.647 -10.895 -5.080 721 2HG1 VAL 90 2HG1 VAL 90 -0.058 -12.490 -4.609 722 3HG1 VAL 90 3HG1 VAL 90 -1.679 -11.975 -4.142 723 1HG2 VAL 90 1HG2 VAL 90 1.897 -11.597 -2.440 724 2HG2 VAL 90 2HG2 VAL 90 0.644 -12.236 -1.377 725 3HG2 VAL 90 3HG2 VAL 90 0.902 -12.955 -2.965 726 H THR 91 H THR 91 0.341 -7.287 -2.614 727 HA THR 91 HA THR 91 1.948 -7.614 -0.117 728 HB THR 91 HB THR 91 1.044 -5.184 -1.699 729 HG1 THR 91 HG1 THR 91 3.439 -6.671 -1.548 730 1HG2 THR 91 1HG2 THR 91 3.294 -4.964 0.188 731 2HG2 THR 91 2HG2 THR 91 1.953 -3.855 -0.100 732 3HG2 THR 91 3HG2 THR 91 1.732 -5.251 0.955 733 H LYS 92 H LYS 92 0.424 -8.340 1.412 734 HA LYS 92 HA LYS 92 -2.166 -6.890 1.640 735 1HB LYS 92 1HB LYS 92 -2.703 -8.772 3.155 736 2HB LYS 92 2HB LYS 92 -2.090 -9.365 1.610 737 1HG LYS 92 1HG LYS 92 0.156 -9.624 2.594 738 2HG LYS 92 2HG LYS 92 -0.449 -9.026 4.138 739 1HD LYS 92 1HD LYS 92 -0.425 -11.447 4.229 740 2HD LYS 92 2HD LYS 92 -2.106 -10.917 4.146 741 1HE LYS 92 1HE LYS 92 -2.263 -12.402 2.413 742 2HE LYS 92 2HE LYS 92 -1.432 -11.147 1.472 743 1HZ LYS 92 1HZ LYS 92 -0.074 -13.231 3.100 744 2HZ LYS 92 2HZ LYS 92 -0.246 -13.285 1.411 745 3HZ LYS 92 3HZ LYS 92 0.684 -12.061 2.135 746 H SER 93 H SER 93 -2.827 -6.140 3.824 747 HA SER 93 HA SER 93 -0.662 -5.735 5.808 748 1HB SER 93 1HB SER 93 -1.720 -3.733 3.910 749 2HB SER 93 2HB SER 93 -1.660 -3.188 5.583 750 HG SER 93 HG SER 93 0.381 -2.889 5.181 751 H GLU 94 H GLU 94 -1.932 -3.862 7.407 752 HA GLU 94 HA GLU 94 -4.348 -5.374 8.291 753 1HB GLU 94 1HB GLU 94 -2.405 -5.026 9.815 754 2HB GLU 94 2HB GLU 94 -2.635 -3.283 9.674 755 1HG GLU 94 1HG GLU 94 -4.994 -3.616 10.520 756 2HG GLU 94 2HG GLU 94 -4.568 -5.293 10.855 757 H LYS 95 H LYS 95 -4.385 -3.396 6.043 758 HA LYS 95 HA LYS 95 -6.754 -1.925 6.821 759 1HB LYS 95 1HB LYS 95 -5.738 0.317 6.789 760 2HB LYS 95 2HB LYS 95 -4.965 -0.677 8.023 761 1HG LYS 95 1HG LYS 95 -2.965 -0.622 6.966 762 2HG LYS 95 2HG LYS 95 -3.698 -0.930 5.392 763 1HD LYS 95 1HD LYS 95 -4.079 1.336 4.974 764 2HD LYS 95 2HD LYS 95 -4.041 1.759 6.686 765 1HE LYS 95 1HE LYS 95 -1.512 0.765 6.357 766 2HE LYS 95 2HE LYS 95 -1.801 1.507 4.771 767 1HZ LYS 95 1HZ LYS 95 -2.473 2.866 7.318 768 2HZ LYS 95 2HZ LYS 95 -0.966 3.054 6.562 769 3HZ LYS 95 3HZ LYS 95 -2.382 3.546 5.763 770 H PHE 96 H PHE 96 -4.817 -3.315 4.572 771 HA PHE 96 HA PHE 96 -6.413 -2.540 2.322 772 1HB PHE 96 1HB PHE 96 -4.953 -0.971 1.238 773 2HB PHE 96 2HB PHE 96 -5.112 -0.417 2.905 774 HD1 PHE 96 HD1 PHE 96 -3.033 -2.993 1.122 775 HD2 PHE 96 HD2 PHE 96 -3.118 0.354 3.813 776 HE1 PHE 96 HE1 PHE 96 -0.577 -3.167 1.418 777 HE2 PHE 96 HE2 PHE 96 -0.662 0.179 4.109 778 HZ PHE 96 HZ PHE 96 0.608 -1.582 2.911 779 H SER 97 H SER 97 -5.972 -3.940 0.601 780 HA SER 97 HA SER 97 -3.562 -5.702 0.906 781 1HB SER 97 1HB SER 97 -6.338 -6.230 -0.200 782 2HB SER 97 2HB SER 97 -5.027 -7.407 -0.195 783 HG SER 97 HG SER 97 -5.002 -7.281 2.063 784 H HIS 98 H HIS 98 -2.659 -6.498 -1.166 785 HA HIS 98 HA HIS 98 -3.396 -4.904 -3.577 786 1HB HIS 98 1HB HIS 98 -1.613 -3.748 -2.232 787 2HB HIS 98 2HB HIS 98 -0.589 -5.166 -2.453 788 HD2 HIS 98 HD2 HIS 98 -1.622 -1.979 -4.410 789 HE1 HIS 98 HE1 HIS 98 0.513 -4.435 -7.117 790 HE2 HIS 98 HE2 HIS 98 -0.488 -2.155 -6.733 791 H GLU 99 H GLU 99 -3.099 -6.079 -5.480 792 HA GLU 99 HA GLU 99 -1.403 -8.502 -5.486 793 1HB GLU 99 1HB GLU 99 -3.608 -9.133 -4.482 794 2HB GLU 99 2HB GLU 99 -4.400 -8.593 -5.963 795 1HG GLU 99 1HG GLU 99 -2.624 -10.225 -7.089 796 2HG GLU 99 2HG GLU 99 -2.675 -10.992 -5.501 797 H GLN 100 H GLN 100 -0.401 -8.465 -7.456 798 HA GLN 100 HA GLN 100 -1.931 -7.395 -9.807 799 1HB GLN 100 1HB GLN 100 -0.336 -5.737 -9.066 800 2HB GLN 100 2HB GLN 100 0.937 -6.950 -8.927 801 1HG GLN 100 1HG GLN 100 0.792 -7.348 -11.379 802 2HG GLN 100 2HG GLN 100 -0.417 -6.067 -11.494 803 1HE2 GLN 100 2HE2 GLN 100 2.750 -6.341 -9.767 804 2HE2 GLN 100 1HE2 GLN 100 3.368 -4.880 -10.374 805 H GLU 101 H GLU 101 -1.260 -8.340 -11.871 806 HA GLU 101 HA GLU 101 0.551 -10.681 -11.798 807 1HB GLU 101 1HB GLU 101 -1.746 -11.383 -11.014 808 2HB GLU 101 2HB GLU 101 -2.365 -10.912 -12.597 809 1HG GLU 101 1HG GLU 101 -0.913 -12.528 -13.697 810 2HG GLU 101 2HG GLU 101 -0.156 -12.941 -12.159 811 H VAL 102 H VAL 102 1.130 -11.378 -13.963 812 HA VAL 102 HA VAL 102 0.399 -9.393 -16.093 813 HB VAL 102 HB VAL 102 2.755 -9.419 -15.205 814 1HG1 VAL 102 1HG1 VAL 102 2.830 -11.860 -14.745 815 2HG1 VAL 102 2HG1 VAL 102 2.803 -12.171 -16.481 816 3HG1 VAL 102 3HG1 VAL 102 4.178 -11.338 -15.754 817 1HG2 VAL 102 1HG2 VAL 102 2.046 -8.850 -17.628 818 2HG2 VAL 102 2HG2 VAL 102 3.751 -9.202 -17.345 819 3HG2 VAL 102 3HG2 VAL 102 2.702 -10.432 -18.050 820 H LYS 103 H LYS 103 -0.280 -10.223 -18.082 821 HA LYS 103 HA LYS 103 -0.233 -13.196 -18.436 822 1HB LYS 103 1HB LYS 103 -2.534 -11.247 -18.479 823 2HB LYS 103 2HB LYS 103 -2.629 -12.761 -19.380 824 1HG LYS 103 1HG LYS 103 -2.032 -13.976 -17.256 825 2HG LYS 103 2HG LYS 103 -2.175 -12.440 -16.401 826 1HD LYS 103 1HD LYS 103 -4.518 -12.234 -17.234 827 2HD LYS 103 2HD LYS 103 -4.366 -13.829 -17.973 828 1HE LYS 103 1HE LYS 103 -4.090 -14.893 -15.829 829 2HE LYS 103 2HE LYS 103 -3.918 -13.326 -15.012 830 1HZ LYS 103 1HZ LYS 103 -6.142 -12.733 -15.784 831 2HZ LYS 103 2HZ LYS 103 -6.314 -14.263 -16.504 832 3HZ LYS 103 3HZ LYS 103 -6.187 -14.130 -14.817 833 H GLY 104 H GLY 104 1.441 -12.887 -20.045 834 1HA GLY 104 1HA GLY 104 1.977 -12.830 -22.358 835 2HA GLY 104 2HA GLY 104 0.387 -12.137 -22.680 836 H ASN 105 H ASN 105 0.258 -9.950 -23.004 837 HA ASN 105 HA ASN 105 2.725 -8.338 -22.422 838 1HB ASN 105 1HB ASN 105 0.817 -8.529 -24.730 839 2HB ASN 105 2HB ASN 105 1.611 -6.984 -24.420 840 1HD2 ASN 105 2HD2 ASN 105 4.160 -7.553 -23.737 841 2HD2 ASN 105 1HD2 ASN 105 4.938 -8.505 -24.907 842 H GLU 106 H GLU 106 -0.171 -8.855 -21.126 843 HA GLU 106 HA GLU 106 -0.779 -5.948 -20.697 844 1HB GLU 106 1HB GLU 106 -2.507 -8.441 -20.676 845 2HB GLU 106 2HB GLU 106 -3.089 -6.847 -20.194 846 1HG GLU 106 1HG GLU 106 -2.545 -5.951 -22.411 847 2HG GLU 106 2HG GLU 106 -1.899 -7.517 -22.902 848 H MET 107 H MET 107 -1.341 -5.341 -18.503 849 HA MET 107 HA MET 107 -0.488 -7.325 -16.417 850 1HB MET 107 1HB MET 107 1.208 -5.603 -16.820 851 2HB MET 107 2HB MET 107 -0.003 -4.335 -16.627 852 1HG MET 107 1HG MET 107 1.086 -4.445 -14.520 853 2HG MET 107 2HG MET 107 -0.421 -5.331 -14.289 854 1HE MET 107 1HE MET 107 3.009 -4.977 -14.525 855 2HE MET 107 2HE MET 107 3.561 -6.174 -13.355 856 3HE MET 107 3HE MET 107 3.728 -6.496 -15.078 857 H VAL 108 H VAL 108 -1.866 -7.489 -14.651 858 HA VAL 108 HA VAL 108 -4.151 -5.547 -14.508 859 HB VAL 108 HB VAL 108 -4.097 -8.551 -14.066 860 1HG1 VAL 108 1HG1 VAL 108 -6.348 -6.525 -13.898 861 2HG1 VAL 108 2HG1 VAL 108 -6.581 -8.272 -13.897 862 3HG1 VAL 108 3HG1 VAL 108 -5.707 -7.500 -12.575 863 1HG2 VAL 108 1HG2 VAL 108 -3.967 -7.633 -16.456 864 2HG2 VAL 108 2HG2 VAL 108 -5.313 -8.720 -16.116 865 3HG2 VAL 108 3HG2 VAL 108 -5.582 -6.978 -16.183 866 H GLU 109 H GLU 109 -4.197 -4.518 -12.552 867 HA GLU 109 HA GLU 109 -2.809 -5.816 -10.234 868 1HB GLU 109 1HB GLU 109 -3.309 -2.957 -11.084 869 2HB GLU 109 2HB GLU 109 -2.758 -3.361 -9.458 870 1HG GLU 109 1HG GLU 109 -0.743 -4.352 -10.289 871 2HG GLU 109 2HG GLU 109 -1.332 -4.314 -11.950 872 H THR 110 H THR 110 -4.198 -6.577 -8.692 873 HA THR 110 HA THR 110 -6.931 -5.363 -8.511 874 HB THR 110 HB THR 110 -5.855 -8.058 -7.618 875 HG1 THR 110 HG1 THR 110 -7.076 -8.772 -9.440 876 1HG2 THR 110 1HG2 THR 110 -8.691 -7.005 -7.828 877 2HG2 THR 110 2HG2 THR 110 -8.232 -8.643 -7.359 878 3HG2 THR 110 3HG2 THR 110 -7.809 -7.278 -6.325 879 H ILE 111 H ILE 111 -7.158 -4.009 -6.775 880 HA ILE 111 HA ILE 111 -5.646 -4.667 -4.267 881 HB ILE 111 HB ILE 111 -6.318 -1.958 -5.461 882 1HG1 ILE 111 1HG1 ILE 111 -3.657 -3.402 -5.241 883 2HG1 ILE 111 2HG1 ILE 111 -4.591 -3.237 -6.729 884 1HG2 ILE 111 1HG2 ILE 111 -6.180 -2.069 -2.956 885 2HG2 ILE 111 2HG2 ILE 111 -4.530 -2.672 -3.119 886 3HG2 ILE 111 3HG2 ILE 111 -4.936 -1.051 -3.683 887 1HD1 ILE 111 1HD1 ILE 111 -4.470 -0.754 -6.479 888 2HD1 ILE 111 2HD1 ILE 111 -3.430 -0.977 -5.073 889 3HD1 ILE 111 3HD1 ILE 111 -2.882 -1.499 -6.667 890 H THR 112 H THR 112 -6.970 -4.900 -2.503 891 HA THR 112 HA THR 112 -9.808 -3.971 -2.750 892 HB THR 112 HB THR 112 -8.519 -6.083 -0.988 893 HG1 THR 112 HG1 THR 112 -8.977 -7.453 -2.535 894 1HG2 THR 112 1HG2 THR 112 -11.005 -6.801 -0.871 895 2HG2 THR 112 2HG2 THR 112 -10.503 -5.415 0.097 896 3HG2 THR 112 3HG2 THR 112 -11.355 -5.164 -1.426 897 H PHE 113 H PHE 113 -10.603 -2.543 -1.212 898 HA PHE 113 HA PHE 113 -9.216 -2.120 1.347 899 1HB PHE 113 1HB PHE 113 -7.884 -0.882 -0.379 900 2HB PHE 113 2HB PHE 113 -9.324 0.061 -0.762 901 HD1 PHE 113 HD1 PHE 113 -10.461 1.346 1.165 902 HD2 PHE 113 HD2 PHE 113 -6.477 -0.241 1.399 903 HE1 PHE 113 HE1 PHE 113 -9.960 2.881 3.047 904 HE2 PHE 113 HE2 PHE 113 -5.976 1.293 3.282 905 HZ PHE 113 HZ PHE 113 -7.718 2.855 4.106 906 H GLY 114 H GLY 114 -10.811 -1.634 2.805 907 1HA GLY 114 1HA GLY 114 -12.809 -0.765 3.687 908 2HA GLY 114 2HA GLY 114 -12.905 0.279 2.268 909 H GLY 115 H GLY 115 -12.712 -3.246 2.148 910 1HA GLY 115 1HA GLY 115 -14.301 -4.841 1.463 911 2HA GLY 115 2HA GLY 115 -15.559 -3.650 1.806 912 H VAL 116 H VAL 116 -13.206 -2.323 -0.206 913 HA VAL 116 HA VAL 116 -14.942 -2.815 -2.602 914 HB VAL 116 HB VAL 116 -13.082 -0.527 -1.874 915 1HG1 VAL 116 1HG1 VAL 116 -14.788 -1.146 -4.273 916 2HG1 VAL 116 2HG1 VAL 116 -14.508 0.531 -3.803 917 3HG1 VAL 116 3HG1 VAL 116 -13.144 -0.509 -4.214 918 1HG2 VAL 116 1HG2 VAL 116 -15.243 -0.824 -0.535 919 2HG2 VAL 116 2HG2 VAL 116 -15.057 0.723 -1.362 920 3HG2 VAL 116 3HG2 VAL 116 -16.105 -0.521 -2.045 921 H THR 117 H THR 117 -13.948 -3.545 -4.496 922 HA THR 117 HA THR 117 -11.011 -4.135 -4.315 923 HB THR 117 HB THR 117 -13.225 -5.558 -5.828 924 HG1 THR 117 HG1 THR 117 -11.890 -6.138 -3.396 925 1HG2 THR 117 1HG2 THR 117 -11.266 -7.359 -5.681 926 2HG2 THR 117 2HG2 THR 117 -11.327 -6.176 -6.986 927 3HG2 THR 117 3HG2 THR 117 -10.267 -5.907 -5.602 928 H LEU 118 H LEU 118 -9.753 -3.196 -5.886 929 HA LEU 118 HA LEU 118 -11.149 -1.883 -8.190 930 1HB LEU 118 1HB LEU 118 -9.959 -0.410 -6.624 931 2HB LEU 118 2HB LEU 118 -8.486 -1.360 -6.827 932 HG LEU 118 HG LEU 118 -8.601 -0.824 -9.300 933 1HD1 LEU 118 1HD1 LEU 118 -11.039 -0.218 -9.252 934 2HD1 LEU 118 2HD1 LEU 118 -10.610 1.245 -8.366 935 3HD1 LEU 118 3HD1 LEU 118 -10.025 1.008 -10.013 936 1HD2 LEU 118 1HD2 LEU 118 -8.055 1.070 -7.081 937 2HD2 LEU 118 2HD2 LEU 118 -6.988 0.511 -8.369 938 3HD2 LEU 118 3HD2 LEU 118 -8.163 1.786 -8.689 939 H ILE 119 H ILE 119 -10.180 -2.108 -10.299 940 HA ILE 119 HA ILE 119 -8.131 -4.286 -10.538 941 HB ILE 119 HB ILE 119 -10.670 -3.837 -12.141 942 1HG1 ILE 119 1HG1 ILE 119 -9.867 -6.153 -10.353 943 2HG1 ILE 119 2HG1 ILE 119 -10.911 -4.829 -9.832 944 1HG2 ILE 119 1HG2 ILE 119 -8.306 -5.663 -12.489 945 2HG2 ILE 119 2HG2 ILE 119 -9.904 -6.190 -13.016 946 3HG2 ILE 119 3HG2 ILE 119 -9.183 -4.737 -13.707 947 1HD1 ILE 119 1HD1 ILE 119 -11.495 -6.542 -12.259 948 2HD1 ILE 119 2HD1 ILE 119 -12.143 -6.883 -10.655 949 3HD1 ILE 119 3HD1 ILE 119 -12.574 -5.385 -11.479 950 H ARG 120 H ARG 120 -6.452 -2.767 -11.018 951 HA ARG 120 HA ARG 120 -6.853 -0.794 -13.179 952 1HB ARG 120 1HB ARG 120 -5.522 -0.602 -10.939 953 2HB ARG 120 2HB ARG 120 -4.263 -1.488 -11.802 954 1HG ARG 120 1HG ARG 120 -3.684 0.327 -13.014 955 2HG ARG 120 2HG ARG 120 -5.365 0.697 -13.397 956 1HD ARG 120 1HD ARG 120 -4.701 2.556 -12.093 957 2HD ARG 120 2HD ARG 120 -5.482 1.504 -10.896 958 HE ARG 120 HE ARG 120 -2.626 2.069 -11.048 959 1HH1 ARG 120 1HH1 ARG 120 -4.969 0.860 -9.078 960 2HH1 ARG 120 2HH1 ARG 120 -4.031 -0.434 -8.409 961 1HH2 ARG 120 1HH2 ARG 120 -1.431 -0.073 -10.674 962 2HH2 ARG 120 2HH2 ARG 120 -2.028 -0.962 -9.313 963 H ARG 121 H ARG 121 -6.391 -1.266 -15.291 964 HA ARG 121 HA ARG 121 -4.810 -3.738 -15.876 965 1HB ARG 121 1HB ARG 121 -6.997 -2.170 -17.211 966 2HB ARG 121 2HB ARG 121 -5.948 -3.187 -18.200 967 1HG ARG 121 1HG ARG 121 -6.474 -5.124 -16.748 968 2HG ARG 121 2HG ARG 121 -7.555 -4.105 -15.796 969 1HD ARG 121 1HD ARG 121 -8.734 -3.596 -18.060 970 2HD ARG 121 2HD ARG 121 -7.886 -5.041 -18.648 971 HE ARG 121 HE ARG 121 -9.502 -5.172 -16.136 972 1HH1 ARG 121 1HH1 ARG 121 -8.077 -7.573 -17.288 973 2HH1 ARG 121 2HH1 ARG 121 -9.363 -8.371 -18.131 974 1HH2 ARG 121 1HH2 ARG 121 -11.454 -5.605 -18.104 975 2HH2 ARG 121 2HH2 ARG 121 -11.274 -7.257 -18.593 976 H SER 122 H SER 122 -2.763 -3.442 -16.661 977 HA SER 122 HA SER 122 -2.118 -0.818 -17.973 978 1HB SER 122 1HB SER 122 -0.552 -2.587 -16.077 979 2HB SER 122 2HB SER 122 0.183 -1.259 -16.970 980 HG SER 122 HG SER 122 -1.598 -1.234 -14.840 981 H LYS 123 H LYS 123 -0.581 -0.948 -19.730 982 HA LYS 123 HA LYS 123 -0.253 -3.711 -20.859 983 1HB LYS 123 1HB LYS 123 -1.834 -1.909 -21.904 984 2HB LYS 123 2HB LYS 123 -0.338 -1.160 -22.462 985 1HG LYS 123 1HG LYS 123 0.306 -3.230 -23.602 986 2HG LYS 123 2HG LYS 123 -1.142 -4.034 -22.998 987 1HD LYS 123 1HD LYS 123 -2.554 -2.423 -24.218 988 2HD LYS 123 2HD LYS 123 -1.109 -1.611 -24.821 989 1HE LYS 123 1HE LYS 123 -0.456 -3.531 -26.111 990 2HE LYS 123 2HE LYS 123 -1.673 -4.553 -25.318 991 1HZ LYS 123 1HZ LYS 123 -2.303 -2.104 -26.879 992 2HZ LYS 123 2HZ LYS 123 -2.412 -3.681 -27.499 993 3HZ LYS 123 3HZ LYS 123 -3.415 -3.200 -26.216 994 H ARG 124 H ARG 124 1.734 -4.013 -22.142 995 HA ARG 124 HA ARG 124 4.037 -2.605 -20.959 996 1HB ARG 124 1HB ARG 124 3.984 -5.050 -21.261 997 2HB ARG 124 2HB ARG 124 3.769 -4.840 -23.000 998 1HG ARG 124 1HG ARG 124 5.945 -3.650 -23.107 999 2HG ARG 124 2HG ARG 124 6.168 -3.934 -21.380 1000 1HD ARG 124 1HD ARG 124 6.051 -6.390 -21.786 1001 2HD ARG 124 2HD ARG 124 5.918 -6.072 -23.526 1002 HE ARG 124 HE ARG 124 8.133 -4.772 -23.210 1003 1HH1 ARG 124 1HH1 ARG 124 7.542 -6.197 -20.308 1004 2HH1 ARG 124 2HH1 ARG 124 8.956 -7.196 -20.272 1005 1HH2 ARG 124 1HH2 ARG 124 9.794 -6.586 -23.581 1006 2HH2 ARG 124 2HH2 ARG 124 10.231 -7.416 -22.125 1007 H VAL 125 HN VAL 125 5.236 -1.044 -22.015 1008 HA VAL 125 HA VAL 125 4.461 -0.400 -24.841 1009 HB VAL 125 HB VAL 125 5.142 1.910 -24.195 1010 1HG1 VAL 125 1HG1 VAL 125 3.043 0.383 -22.700 1011 2HG1 VAL 125 2HG1 VAL 125 3.350 2.059 -22.243 1012 3HG1 VAL 125 3HG1 VAL 125 2.855 1.670 -23.891 1013 1HG2 VAL 125 1HG2 VAL 125 6.645 0.730 -22.281 1014 2HG2 VAL 125 2HG2 VAL 125 6.112 2.408 -22.173 1015 3HG2 VAL 125 3HG2 VAL 125 5.225 1.144 -21.321 1016 1H1 JN3 130 1H1 JN3 130 -3.679 1.925 -7.476 1017 2H1 JN3 130 2H1 JN3 130 -3.128 3.204 -8.610 1018 1H2 JN3 130 1H2 JN3 130 -0.966 3.228 -7.554 1019 2H2 JN3 130 2H2 JN3 130 -1.396 1.579 -8.154 1020 H3 JN3 130 H3 JN3 130 -2.140 0.911 -5.795 1021 HO3 JN3 130 HO3 JN3 130 -0.003 1.268 -4.630 1022 1H4 JN3 130 1H4 JN3 130 -1.259 3.724 -5.001 1023 2H4 JN3 130 2H4 JN3 130 -1.833 2.467 -3.888 1024 H5 JN3 130 H5 JN3 130 -4.112 2.458 -5.138 1025 1H6 JN3 130 1H6 JN3 130 -3.876 3.971 -3.142 1026 2H6 JN3 130 2H6 JN3 130 -4.972 4.609 -4.358 1027 H7 JN3 130 H7 JN3 130 -3.444 6.366 -3.464 1028 HO7 JN3 130 HO7 JN3 130 -1.571 5.190 -2.993 1029 H8 JN3 130 H8 JN3 130 -4.298 6.573 -5.765 1030 H9 JN3 130 H9 JN3 130 -1.605 5.099 -6.548 1031 1H11 JN3 130 1H11 JN3 130 -3.839 6.224 -8.362 1032 2H11 JN3 130 2H11 JN3 130 -2.464 5.281 -8.943 1033 1H12 JN3 130 1H12 JN3 130 -1.978 7.690 -9.256 1034 2H12 JN3 130 2H12 JN3 130 -0.898 7.067 -8.006 1035 H14 JN3 130 H14 JN3 130 -1.322 7.518 -5.561 1036 1H15 JN3 130 1H15 JN3 130 -2.389 8.747 -3.829 1037 2H15 JN3 130 2H15 JN3 130 -3.874 8.950 -4.753 1038 1H16 JN3 130 1H16 JN3 130 -1.362 10.480 -4.936 1039 2H16 JN3 130 2H16 JN3 130 -2.960 10.844 -5.682 1040 H17 JN3 130 H17 JN3 130 -0.570 9.355 -6.919 1041 1H18 JN3 130 1H18 JN3 130 -4.420 9.484 -6.851 1042 2H18 JN3 130 2H18 JN3 130 -4.170 9.114 -8.573 1043 3H18 JN3 130 3H18 JN3 130 -4.683 7.830 -7.454 1044 1H19 JN3 130 1H19 JN3 130 -5.433 4.875 -6.312 1045 2H19 JN3 130 2H19 JN3 130 -5.128 4.454 -8.014 1046 3H19 JN3 130 3H19 JN3 130 -5.602 3.189 -6.856 1047 H20 JN3 130 H20 JN3 130 -2.598 11.246 -8.114 1048 1H21 JN3 130 1H21 JN3 130 -1.373 11.301 -10.145 1049 2H21 JN3 130 2H21 JN3 130 -0.365 9.942 -9.594 1050 3H21 JN3 130 3H21 JN3 130 -2.108 9.705 -9.861 1051 1H22 JN3 130 1H22 JN3 130 0.321 11.752 -8.304 1052 2H22 JN3 130 2H22 JN3 130 -0.358 11.760 -6.640 1053 1H23 JN3 130 1H23 JN3 130 -1.949 13.558 -7.355 1054 2H23 JN3 130 2H23 JN3 130 -1.212 13.579 -8.936 1055 1H1 JN3 131 1H1 JN3 131 4.877 -4.604 -4.261 1056 2H1 JN3 131 2H1 JN3 131 3.230 -4.618 -3.543 1057 1H2 JN3 131 1H2 JN3 131 2.350 -3.549 -5.511 1058 2H2 JN3 131 2H2 JN3 131 3.199 -5.091 -5.915 1059 H3 JN3 131 H3 JN3 131 5.292 -3.769 -6.576 1060 HO3 JN3 131 HO3 JN3 131 3.968 -2.194 -8.219 1061 1H4 JN3 131 1H4 JN3 131 3.626 -1.298 -5.911 1062 2H4 JN3 131 2H4 JN3 131 5.264 -1.287 -6.591 1063 H5 JN3 131 H5 JN3 131 6.113 -2.511 -4.461 1064 1H6 JN3 131 1H6 JN3 131 6.202 0.002 -4.482 1065 2H6 JN3 131 2H6 JN3 131 5.940 -0.661 -2.876 1066 H7 JN3 131 H7 JN3 131 4.465 1.299 -3.331 1067 HO7 JN3 131 HO7 JN3 131 3.708 1.427 -5.326 1068 H8 JN3 131 H8 JN3 131 3.703 -0.443 -1.765 1069 H9 JN3 131 H9 JN3 131 2.303 -1.672 -4.329 1070 1H11 JN3 131 1H11 JN3 131 2.215 -2.615 -1.386 1071 2H11 JN3 131 2H11 JN3 131 1.507 -3.502 -2.737 1072 1H12 JN3 131 1H12 JN3 131 -0.267 -2.186 -1.622 1073 2H12 JN3 131 2H12 JN3 131 0.013 -1.491 -3.221 1074 H14 JN3 131 H14 JN3 131 1.343 0.636 -3.514 1075 1H15 JN3 131 1H15 JN3 131 2.301 2.623 -2.634 1076 2H15 JN3 131 2H15 JN3 131 2.686 1.873 -1.089 1077 1H16 JN3 131 1H16 JN3 131 0.115 2.966 -2.022 1078 2H16 JN3 131 2H16 JN3 131 0.581 2.440 -0.363 1079 H17 JN3 131 H17 JN3 131 -0.853 0.818 -2.549 1080 1H18 JN3 131 1H18 JN3 131 1.654 0.526 0.362 1081 2H18 JN3 131 2H18 JN3 131 0.777 -1.008 0.576 1082 3H18 JN3 131 3H18 JN3 131 2.394 -1.004 -0.168 1083 1H19 JN3 131 1H19 JN3 131 5.071 -2.054 -1.694 1084 2H19 JN3 131 2H19 JN3 131 4.197 -3.598 -1.558 1085 3H19 JN3 131 3H19 JN3 131 5.798 -3.547 -2.335 1086 H20 JN3 131 H20 JN3 131 -1.131 0.382 0.418 1087 1H21 JN3 131 1H21 JN3 131 -3.365 -0.285 -0.018 1088 2H21 JN3 131 2H21 JN3 131 -3.105 -0.077 -1.766 1089 3H21 JN3 131 3H21 JN3 131 -2.191 -1.315 -0.871 1090 1H22 JN3 131 1H22 JN3 131 -3.141 2.103 -0.944 1091 2H22 JN3 131 2H22 JN3 131 -1.524 2.837 -0.662 1092 1H23 JN3 131 1H23 JN3 131 -1.902 3.049 1.594 1093 2H23 JN3 131 2H23 JN3 131 -2.777 1.544 1.714 Start of MODEL 7 1 1H ALA 1 1H ALA 1 9.146 -10.218 -19.199 2 2H ALA 1 2H ALA 1 9.052 -11.907 -19.350 3 3H ALA 1 3H ALA 1 9.895 -11.213 -18.048 4 HA ALA 1 HA ALA 1 6.966 -10.919 -18.491 5 1HB ALA 1 1HB ALA 1 7.958 -13.249 -18.057 6 2HB ALA 1 2HB ALA 1 8.435 -12.631 -16.476 7 3HB ALA 1 3HB ALA 1 6.729 -12.701 -16.917 8 H PHE 2 H PHE 2 6.201 -9.235 -17.276 9 HA PHE 2 HA PHE 2 6.035 -7.667 -15.503 10 1HB PHE 2 1HB PHE 2 7.944 -9.759 -14.488 11 2HB PHE 2 2HB PHE 2 7.693 -8.287 -13.548 12 HD1 PHE 2 HD1 PHE 2 5.417 -7.698 -12.718 13 HD2 PHE 2 HD2 PHE 2 6.232 -11.440 -14.664 14 HE1 PHE 2 HE1 PHE 2 3.287 -8.618 -11.841 15 HE2 PHE 2 HE2 PHE 2 4.104 -12.360 -13.787 16 HZ PHE 2 HZ PHE 2 2.631 -10.950 -12.376 17 H SER 3 H SER 3 9.495 -8.591 -15.793 18 HA SER 3 HA SER 3 10.643 -6.076 -15.315 19 1HB SER 3 1HB SER 3 12.424 -7.074 -16.965 20 2HB SER 3 2HB SER 3 12.077 -7.929 -15.464 21 HG SER 3 HG SER 3 12.008 -9.342 -17.239 22 H GLY 4 H GLY 4 9.497 -4.345 -16.313 23 1HA GLY 4 1HA GLY 4 10.298 -3.508 -18.878 24 2HA GLY 4 2HA GLY 4 8.744 -4.316 -19.086 25 H THR 5 H THR 5 8.007 -2.107 -19.741 26 HA THR 5 HA THR 5 7.506 -0.338 -17.370 27 HB THR 5 HB THR 5 7.157 1.363 -19.290 28 HG1 THR 5 HG1 THR 5 8.186 0.720 -21.222 29 1HG2 THR 5 1HG2 THR 5 9.723 1.427 -19.682 30 2HG2 THR 5 2HG2 THR 5 9.129 1.609 -18.031 31 3HG2 THR 5 3HG2 THR 5 9.775 0.058 -18.571 32 H TRP 6 H TRP 6 5.390 -0.190 -16.731 33 HA TRP 6 HA TRP 6 3.272 -1.085 -18.662 34 1HB TRP 6 1HB TRP 6 3.417 -1.194 -15.631 35 2HB TRP 6 2HB TRP 6 2.062 -1.773 -16.600 36 HD1 TRP 6 HD1 TRP 6 5.469 -2.735 -15.374 37 HE1 TRP 6 HE1 TRP 6 6.075 -5.088 -16.237 38 HE3 TRP 6 HE3 TRP 6 1.701 -3.434 -18.748 39 HZ2 TRP 6 HZ2 TRP 6 5.091 -7.011 -18.112 40 HZ3 TRP 6 HZ3 TRP 6 1.558 -5.533 -20.058 41 HH2 TRP 6 HH2 TRP 6 3.247 -7.321 -19.745 42 H GLN 7 H GLN 7 1.577 0.339 -19.022 43 HA GLN 7 HA GLN 7 1.535 2.859 -17.389 44 1HB GLN 7 1HB GLN 7 2.439 3.182 -19.648 45 2HB GLN 7 2HB GLN 7 1.024 2.391 -20.346 46 1HG GLN 7 1HG GLN 7 -0.416 4.165 -19.340 47 2HG GLN 7 2HG GLN 7 1.040 4.982 -18.769 48 1HE2 GLN 7 2HE2 GLN 7 -0.516 6.448 -20.507 49 2HE2 GLN 7 1HE2 GLN 7 0.199 6.519 -22.044 50 H VAL 8 H VAL 8 -0.377 3.074 -16.300 51 HA VAL 8 HA VAL 8 -2.617 1.309 -16.665 52 HB VAL 8 HB VAL 8 -2.402 4.024 -15.321 53 1HG1 VAL 8 1HG1 VAL 8 -4.462 1.866 -15.372 54 2HG1 VAL 8 2HG1 VAL 8 -4.152 2.652 -13.824 55 3HG1 VAL 8 3HG1 VAL 8 -4.666 3.611 -15.212 56 1HG2 VAL 8 1HG2 VAL 8 -1.883 1.215 -14.293 57 2HG2 VAL 8 2HG2 VAL 8 -0.679 2.486 -14.510 58 3HG2 VAL 8 3HG2 VAL 8 -1.934 2.660 -13.283 59 H TYR 9 H TYR 9 -4.366 1.506 -18.028 60 HA TYR 9 HA TYR 9 -4.826 4.148 -19.367 61 1HB TYR 9 1HB TYR 9 -5.150 2.893 -21.467 62 2HB TYR 9 2HB TYR 9 -3.547 2.576 -20.802 63 HD1 TYR 9 HD1 TYR 9 -7.007 1.221 -21.058 64 HD2 TYR 9 HD2 TYR 9 -2.895 0.386 -20.140 65 HE1 TYR 9 HE1 TYR 9 -7.517 -1.204 -20.980 66 HE2 TYR 9 HE2 TYR 9 -3.405 -2.040 -20.062 67 HH TYR 9 HH TYR 9 -5.588 -3.500 -21.338 68 H ALA 10 H ALA 10 -6.115 1.121 -18.124 69 HA ALA 10 HA ALA 10 -8.874 2.276 -18.352 70 1HB ALA 10 1HB ALA 10 -7.905 -0.563 -18.814 71 2HB ALA 10 2HB ALA 10 -9.603 -0.083 -18.791 72 3HB ALA 10 3HB ALA 10 -8.526 0.543 -20.039 73 H GLN 11 H GLN 11 -10.056 2.149 -16.453 74 HA GLN 11 HA GLN 11 -9.245 0.250 -14.326 75 1HB GLN 11 1HB GLN 11 -8.937 2.108 -12.722 76 2HB GLN 11 2HB GLN 11 -7.811 2.251 -14.072 77 1HG GLN 11 1HG GLN 11 -10.448 3.587 -14.399 78 2HG GLN 11 2HG GLN 11 -9.335 4.312 -13.239 79 1HE2 GLN 11 2HE2 GLN 11 -10.071 5.530 -15.797 80 2HE2 GLN 11 1HE2 GLN 11 -8.654 5.632 -16.726 81 H GLU 12 H GLU 12 -11.008 -0.289 -13.022 82 HA GLU 12 HA GLU 12 -13.572 1.163 -13.586 83 1HB GLU 12 1HB GLU 12 -13.301 -1.217 -14.366 84 2HB GLU 12 2HB GLU 12 -13.112 -1.695 -12.678 85 1HG GLU 12 1HG GLU 12 -15.330 -1.000 -12.130 86 2HG GLU 12 2HG GLU 12 -15.514 -0.143 -13.661 87 H ASN 13 H ASN 13 -14.963 1.565 -11.772 88 HA ASN 13 HA ASN 13 -15.366 2.217 -9.533 89 1HB ASN 13 1HB ASN 13 -14.105 -0.496 -9.542 90 2HB ASN 13 2HB ASN 13 -14.331 0.297 -7.983 91 1HD2 ASN 13 2HD2 ASN 13 -15.917 -1.710 -7.851 92 2HD2 ASN 13 1HD2 ASN 13 -17.509 -1.423 -8.366 93 H TYR 14 H TYR 14 -12.739 3.027 -10.884 94 HA TYR 14 HA TYR 14 -10.550 2.998 -9.101 95 1HB TYR 14 1HB TYR 14 -10.762 3.837 -11.512 96 2HB TYR 14 2HB TYR 14 -11.404 5.332 -10.831 97 HD1 TYR 14 HD1 TYR 14 -8.787 3.162 -9.324 98 HD2 TYR 14 HD2 TYR 14 -9.638 6.855 -11.347 99 HE1 TYR 14 HE1 TYR 14 -6.480 3.947 -8.864 100 HE2 TYR 14 HE2 TYR 14 -7.331 7.639 -10.888 101 HH TYR 14 HH TYR 14 -5.102 6.611 -10.412 102 H GLU 15 H GLU 15 -13.202 5.395 -9.331 103 HA GLU 15 HA GLU 15 -12.299 7.048 -7.162 104 1HB GLU 15 1HB GLU 15 -14.236 7.093 -9.118 105 2HB GLU 15 2HB GLU 15 -15.200 6.858 -7.659 106 1HG GLU 15 1HG GLU 15 -13.582 8.769 -6.731 107 2HG GLU 15 2HG GLU 15 -13.485 9.173 -8.446 108 H GLU 16 H GLU 16 -14.866 4.542 -7.279 109 HA GLU 16 HA GLU 16 -15.694 4.554 -4.613 110 1HB GLU 16 1HB GLU 16 -15.315 2.417 -6.703 111 2HB GLU 16 2HB GLU 16 -15.947 1.997 -5.111 112 1HG GLU 16 1HG GLU 16 -17.662 3.850 -5.437 113 2HG GLU 16 2HG GLU 16 -17.132 3.926 -7.117 114 H PHE 17 H PHE 17 -13.190 2.321 -5.892 115 HA PHE 17 HA PHE 17 -12.248 1.293 -3.465 116 1HB PHE 17 1HB PHE 17 -11.537 0.453 -5.614 117 2HB PHE 17 2HB PHE 17 -10.835 2.013 -6.049 118 HD1 PHE 17 HD1 PHE 17 -10.446 -1.004 -3.964 119 HD2 PHE 17 HD2 PHE 17 -8.713 2.753 -5.116 120 HE1 PHE 17 HE1 PHE 17 -8.295 -1.679 -2.929 121 HE2 PHE 17 HE2 PHE 17 -6.562 2.078 -4.082 122 HZ PHE 17 HZ PHE 17 -6.354 -0.138 -2.988 123 H LEU 18 H LEU 18 -11.172 4.274 -5.126 124 HA LEU 18 HA LEU 18 -9.142 5.023 -3.270 125 1HB LEU 18 1HB LEU 18 -10.960 6.485 -5.190 126 2HB LEU 18 2HB LEU 18 -9.744 7.347 -4.247 127 HG LEU 18 HG LEU 18 -9.124 4.961 -6.009 128 1HD1 LEU 18 1HD1 LEU 18 -9.941 7.341 -6.990 129 2HD1 LEU 18 2HD1 LEU 18 -8.233 7.703 -6.738 130 3HD1 LEU 18 3HD1 LEU 18 -8.705 6.360 -7.778 131 1HD2 LEU 18 1HD2 LEU 18 -7.675 5.905 -3.940 132 2HD2 LEU 18 2HD2 LEU 18 -6.925 5.261 -5.401 133 3HD2 LEU 18 3HD2 LEU 18 -7.112 7.003 -5.199 134 H LYS 19 H LYS 19 -12.602 5.941 -3.408 135 HA LYS 19 HA LYS 19 -12.736 7.704 -1.236 136 1HB LYS 19 1HB LYS 19 -14.573 5.644 -2.437 137 2HB LYS 19 2HB LYS 19 -15.097 6.570 -1.030 138 1HG LYS 19 1HG LYS 19 -14.653 8.672 -2.237 139 2HG LYS 19 2HG LYS 19 -14.112 7.755 -3.643 140 1HD LYS 19 1HD LYS 19 -16.291 6.850 -4.014 141 2HD LYS 19 2HD LYS 19 -16.863 7.401 -2.439 142 1HE LYS 19 1HE LYS 19 -15.847 9.406 -4.451 143 2HE LYS 19 2HE LYS 19 -17.518 8.814 -4.535 144 1HZ LYS 19 1HZ LYS 19 -16.234 9.879 -2.076 145 2HZ LYS 19 2HZ LYS 19 -17.269 10.778 -3.075 146 3HZ LYS 19 3HZ LYS 19 -17.859 9.414 -2.252 147 H ALA 20 H ALA 20 -12.648 4.152 -1.201 148 HA ALA 20 HA ALA 20 -13.182 3.832 1.614 149 1HB ALA 20 1HB ALA 20 -12.488 2.270 -0.728 150 2HB ALA 20 2HB ALA 20 -11.587 1.703 0.678 151 3HB ALA 20 3HB ALA 20 -13.349 1.760 0.724 152 H LEU 21 H LEU 21 -10.236 4.394 -0.263 153 HA LEU 21 HA LEU 21 -8.299 3.734 1.720 154 1HB LEU 21 1HB LEU 21 -8.421 4.763 -0.880 155 2HB LEU 21 2HB LEU 21 -7.630 6.034 0.054 156 HG LEU 21 HG LEU 21 -6.155 4.164 1.029 157 1HD1 LEU 21 1HD1 LEU 21 -7.587 2.296 0.254 158 2HD1 LEU 21 2HD1 LEU 21 -7.248 2.740 -1.418 159 3HD1 LEU 21 3HD1 LEU 21 -5.947 2.158 -0.378 160 1HD2 LEU 21 1HD2 LEU 21 -5.505 5.868 -0.745 161 2HD2 LEU 21 2HD2 LEU 21 -4.592 4.359 -0.789 162 3HD2 LEU 21 3HD2 LEU 21 -5.889 4.640 -1.952 163 H ALA 22 H ALA 22 -10.484 6.430 1.462 164 HA ALA 22 HA ALA 22 -10.925 8.112 3.090 165 1HB ALA 22 1HB ALA 22 -9.370 6.121 4.369 166 2HB ALA 22 2HB ALA 22 -8.634 7.667 4.795 167 3HB ALA 22 3HB ALA 22 -10.338 7.376 5.143 168 H LEU 23 H LEU 23 -9.256 8.517 0.729 169 HA LEU 23 HA LEU 23 -6.932 10.116 1.498 170 1HB LEU 23 1HB LEU 23 -8.342 9.185 -0.940 171 2HB LEU 23 2HB LEU 23 -7.455 10.699 -1.113 172 HG LEU 23 HG LEU 23 -6.410 7.969 -0.407 173 1HD1 LEU 23 1HD1 LEU 23 -6.337 8.757 -2.748 174 2HD1 LEU 23 2HD1 LEU 23 -5.447 10.192 -2.236 175 3HD1 LEU 23 3HD1 LEU 23 -4.712 8.596 -2.083 176 1HD2 LEU 23 1HD2 LEU 23 -5.279 10.657 0.385 177 2HD2 LEU 23 2HD2 LEU 23 -5.499 9.224 1.389 178 3HD2 LEU 23 3HD2 LEU 23 -4.238 9.251 0.156 179 HA PRO 24 HA PRO 24 -8.870 14.034 1.871 180 1HB PRO 24 1HB PRO 24 -7.084 15.694 0.629 181 2HB PRO 24 2HB PRO 24 -6.768 14.942 2.205 182 1HG PRO 24 1HG PRO 24 -5.784 14.167 -0.493 183 2HG PRO 24 2HG PRO 24 -4.949 14.133 1.066 184 1HD PRO 24 1HD PRO 24 -6.004 11.919 -0.141 185 2HD PRO 24 2HD PRO 24 -5.784 12.078 1.616 186 H GLU 25 H GLU 25 -10.462 15.134 0.740 187 HA GLU 25 HA GLU 25 -11.286 14.416 -1.857 188 1HB GLU 25 1HB GLU 25 -11.655 16.958 -0.240 189 2HB GLU 25 2HB GLU 25 -12.601 16.561 -1.676 190 1HG GLU 25 1HG GLU 25 -13.398 14.498 -0.602 191 2HG GLU 25 2HG GLU 25 -12.432 14.861 0.830 192 H ASP 26 H ASP 26 -8.958 16.865 -0.828 193 HA ASP 26 HA ASP 26 -8.772 18.328 -3.285 194 1HB ASP 26 1HB ASP 26 -7.911 18.990 -1.029 195 2HB ASP 26 2HB ASP 26 -6.659 17.757 -1.183 196 H LEU 27 H LEU 27 -7.007 15.470 -2.074 197 HA LEU 27 HA LEU 27 -5.338 15.277 -4.472 198 1HB LEU 27 1HB LEU 27 -4.584 14.573 -2.240 199 2HB LEU 27 2HB LEU 27 -5.899 13.399 -2.153 200 HG LEU 27 HG LEU 27 -4.983 12.230 -4.128 201 1HD1 LEU 27 1HD1 LEU 27 -2.814 14.339 -3.907 202 2HD1 LEU 27 2HD1 LEU 27 -2.689 12.890 -4.904 203 3HD1 LEU 27 3HD1 LEU 27 -3.920 14.100 -5.260 204 1HD2 LEU 27 1HD2 LEU 27 -4.063 12.109 -1.562 205 2HD2 LEU 27 2HD2 LEU 27 -3.517 11.032 -2.848 206 3HD2 LEU 27 3HD2 LEU 27 -2.567 12.457 -2.428 207 H ILE 28 H ILE 28 -8.097 13.438 -3.123 208 HA ILE 28 HA ILE 28 -8.338 11.442 -5.092 209 HB ILE 28 HB ILE 28 -10.458 12.994 -3.570 210 1HG1 ILE 28 1HG1 ILE 28 -9.028 10.388 -2.949 211 2HG1 ILE 28 2HG1 ILE 28 -8.715 11.934 -2.159 212 1HG2 ILE 28 1HG2 ILE 28 -10.598 10.752 -5.463 213 2HG2 ILE 28 2HG2 ILE 28 -11.363 10.407 -3.911 214 3HG2 ILE 28 3HG2 ILE 28 -11.885 11.798 -4.863 215 1HD1 ILE 28 1HD1 ILE 28 -11.220 11.954 -1.579 216 2HD1 ILE 28 2HD1 ILE 28 -11.220 10.251 -2.037 217 3HD1 ILE 28 3HD1 ILE 28 -10.211 10.805 -0.701 218 H LYS 29 H LYS 29 -10.019 14.614 -5.046 219 HA LYS 29 HA LYS 29 -11.236 14.400 -7.606 220 1HB LYS 29 1HB LYS 29 -10.203 16.831 -6.106 221 2HB LYS 29 2HB LYS 29 -11.425 16.854 -7.377 222 1HG LYS 29 1HG LYS 29 -11.928 14.984 -5.128 223 2HG LYS 29 2HG LYS 29 -12.044 16.702 -4.747 224 1HD LYS 29 1HD LYS 29 -13.488 16.856 -6.903 225 2HD LYS 29 2HD LYS 29 -13.643 15.106 -6.740 226 1HE LYS 29 1HE LYS 29 -15.433 15.668 -5.409 227 2HE LYS 29 2HE LYS 29 -14.179 15.907 -4.176 228 1HZ LYS 29 1HZ LYS 29 -13.929 18.202 -4.983 229 2HZ LYS 29 2HZ LYS 29 -15.233 17.965 -6.045 230 3HZ LYS 29 3HZ LYS 29 -15.485 17.907 -4.369 231 H MET 30 H MET 30 -7.961 15.311 -6.666 232 HA MET 30 HA MET 30 -7.269 16.284 -9.359 233 1HB MET 30 1HB MET 30 -5.792 15.823 -6.754 234 2HB MET 30 2HB MET 30 -4.987 16.415 -8.208 235 1HG MET 30 1HG MET 30 -6.571 18.317 -8.300 236 2HG MET 30 2HG MET 30 -7.338 17.737 -6.822 237 1HE MET 30 1HE MET 30 -7.112 20.045 -6.348 238 2HE MET 30 2HE MET 30 -5.860 20.640 -5.250 239 3HE MET 30 3HE MET 30 -5.712 20.905 -6.985 240 H ALA 31 H ALA 31 -7.197 13.289 -7.593 241 HA ALA 31 HA ALA 31 -5.311 12.076 -9.568 242 1HB ALA 31 1HB ALA 31 -6.046 11.712 -6.747 243 2HB ALA 31 2HB ALA 31 -5.941 10.192 -7.635 244 3HB ALA 31 3HB ALA 31 -4.552 11.278 -7.578 245 H ARG 32 H ARG 32 -8.541 12.613 -9.362 246 HA ARG 32 HA ARG 32 -9.622 9.965 -9.898 247 1HB ARG 32 1HB ARG 32 -11.667 11.175 -10.163 248 2HB ARG 32 2HB ARG 32 -10.758 12.059 -8.935 249 1HG ARG 32 1HG ARG 32 -9.871 13.534 -10.793 250 2HG ARG 32 2HG ARG 32 -11.031 12.753 -11.869 251 1HD ARG 32 1HD ARG 32 -12.767 13.390 -9.974 252 2HD ARG 32 2HD ARG 32 -11.547 14.616 -9.573 253 HE ARG 32 HE ARG 32 -11.863 14.634 -12.390 254 1HH1 ARG 32 1HH1 ARG 32 -14.744 14.254 -11.466 255 2HH1 ARG 32 2HH1 ARG 32 -15.277 15.897 -11.346 256 1HH2 ARG 32 1HH2 ARG 32 -12.071 17.218 -11.399 257 2HH2 ARG 32 2HH2 ARG 32 -13.763 17.575 -11.308 258 H ASP 33 H ASP 33 -7.637 11.908 -11.728 259 HA ASP 33 HA ASP 33 -8.439 10.529 -14.226 260 1HB ASP 33 1HB ASP 33 -8.285 13.547 -13.931 261 2HB ASP 33 2HB ASP 33 -8.641 12.674 -15.421 262 H ILE 34 H ILE 34 -6.097 10.243 -12.595 263 HA ILE 34 HA ILE 34 -4.007 11.495 -14.351 264 HB ILE 34 HB ILE 34 -4.154 10.888 -11.396 265 1HG1 ILE 34 1HG1 ILE 34 -3.362 13.353 -12.981 266 2HG1 ILE 34 2HG1 ILE 34 -4.932 13.095 -12.221 267 1HG2 ILE 34 1HG2 ILE 34 -1.789 10.938 -13.188 268 2HG2 ILE 34 2HG2 ILE 34 -1.647 11.875 -11.700 269 3HG2 ILE 34 3HG2 ILE 34 -2.000 10.148 -11.625 270 1HD1 ILE 34 1HD1 ILE 34 -3.346 12.621 -10.095 271 2HD1 ILE 34 2HD1 ILE 34 -2.310 13.745 -10.975 272 3HD1 ILE 34 3HD1 ILE 34 -3.936 14.233 -10.496 273 H LYS 35 H LYS 35 -3.180 9.916 -15.669 274 HA LYS 35 HA LYS 35 -3.230 7.081 -14.806 275 1HB LYS 35 1HB LYS 35 -2.707 8.623 -17.345 276 2HB LYS 35 2HB LYS 35 -2.292 6.913 -17.238 277 1HG LYS 35 1HG LYS 35 -4.484 6.842 -18.062 278 2HG LYS 35 2HG LYS 35 -4.726 6.635 -16.328 279 1HD LYS 35 1HD LYS 35 -6.174 8.374 -16.532 280 2HD LYS 35 2HD LYS 35 -4.718 9.369 -16.561 281 1HE LYS 35 1HE LYS 35 -4.720 9.495 -18.943 282 2HE LYS 35 2HE LYS 35 -5.890 8.168 -19.085 283 1HZ LYS 35 1HZ LYS 35 -7.495 9.525 -17.858 284 2HZ LYS 35 2HZ LYS 35 -6.385 10.810 -17.814 285 3HZ LYS 35 3HZ LYS 35 -7.016 10.288 -19.299 286 HA PRO 36 HA PRO 36 1.064 8.159 -13.614 287 1HB PRO 36 1HB PRO 36 1.156 6.424 -11.499 288 2HB PRO 36 2HB PRO 36 0.491 8.065 -11.374 289 1HG PRO 36 1HG PRO 36 -0.927 5.463 -11.638 290 2HG PRO 36 2HG PRO 36 -1.356 6.892 -10.685 291 1HD PRO 36 1HD PRO 36 -2.518 6.256 -13.076 292 2HD PRO 36 2HD PRO 36 -2.399 7.912 -12.444 293 H ILE 37 H ILE 37 2.854 7.016 -14.358 294 HA ILE 37 HA ILE 37 2.373 4.371 -15.591 295 HB ILE 37 HB ILE 37 4.774 6.228 -15.521 296 1HG1 ILE 37 1HG1 ILE 37 3.009 5.825 -17.908 297 2HG1 ILE 37 2HG1 ILE 37 2.439 6.881 -16.615 298 1HG2 ILE 37 1HG2 ILE 37 5.162 3.755 -16.057 299 2HG2 ILE 37 2HG2 ILE 37 4.175 4.016 -17.495 300 3HG2 ILE 37 3HG2 ILE 37 5.684 4.905 -17.288 301 1HD1 ILE 37 1HD1 ILE 37 4.822 7.945 -16.778 302 2HD1 ILE 37 2HD1 ILE 37 4.864 7.185 -18.368 303 3HD1 ILE 37 3HD1 ILE 37 3.614 8.370 -17.991 304 H VAL 38 H VAL 38 3.809 2.546 -15.126 305 HA VAL 38 HA VAL 38 5.243 2.707 -12.502 306 HB VAL 38 HB VAL 38 3.210 0.657 -13.441 307 1HG1 VAL 38 1HG1 VAL 38 5.197 -0.285 -12.176 308 2HG1 VAL 38 2HG1 VAL 38 4.718 0.727 -10.813 309 3HG1 VAL 38 3HG1 VAL 38 3.636 -0.539 -11.394 310 1HG2 VAL 38 1HG2 VAL 38 2.297 2.803 -12.563 311 2HG2 VAL 38 2HG2 VAL 38 1.921 1.442 -11.508 312 3HG2 VAL 38 3HG2 VAL 38 3.213 2.561 -11.075 313 H GLU 39 H GLU 39 7.327 2.082 -12.907 314 HA GLU 39 HA GLU 39 7.873 0.244 -15.193 315 1HB GLU 39 1HB GLU 39 8.955 2.576 -14.698 316 2HB GLU 39 2HB GLU 39 9.907 1.691 -13.505 317 1HG GLU 39 1HG GLU 39 10.868 0.281 -15.161 318 2HG GLU 39 2HG GLU 39 9.683 0.770 -16.373 319 H ILE 40 H ILE 40 8.607 -1.828 -14.817 320 HA ILE 40 HA ILE 40 9.295 -2.562 -11.988 321 HB ILE 40 HB ILE 40 7.908 -4.165 -14.163 322 1HG1 ILE 40 1HG1 ILE 40 6.793 -3.035 -11.578 323 2HG1 ILE 40 2HG1 ILE 40 6.586 -2.268 -13.152 324 1HG2 ILE 40 1HG2 ILE 40 9.282 -5.503 -12.555 325 2HG2 ILE 40 2HG2 ILE 40 8.345 -4.811 -11.233 326 3HG2 ILE 40 3HG2 ILE 40 7.556 -5.839 -12.429 327 1HD1 ILE 40 1HD1 ILE 40 5.561 -4.414 -13.980 328 2HD1 ILE 40 2HD1 ILE 40 5.613 -5.015 -12.323 329 3HD1 ILE 40 3HD1 ILE 40 4.622 -3.612 -12.722 330 H GLN 41 H GLN 41 11.321 -3.433 -11.757 331 HA GLN 41 HA GLN 41 12.637 -4.626 -14.173 332 1HB GLN 41 1HB GLN 41 13.314 -2.245 -13.577 333 2HB GLN 41 2HB GLN 41 13.965 -2.894 -12.071 334 1HG GLN 41 1HG GLN 41 15.501 -4.327 -13.284 335 2HG GLN 41 2HG GLN 41 14.777 -3.864 -14.825 336 1HE2 GLN 41 2HE2 GLN 41 17.541 -3.422 -14.415 337 2HE2 GLN 41 1HE2 GLN 41 17.826 -1.753 -14.290 338 H GLN 42 H GLN 42 11.786 -6.633 -12.976 339 HA GLN 42 HA GLN 42 12.946 -7.356 -10.413 340 1HB GLN 42 1HB GLN 42 10.795 -8.197 -11.369 341 2HB GLN 42 2HB GLN 42 11.714 -9.051 -12.610 342 1HG GLN 42 1HG GLN 42 13.004 -10.065 -10.555 343 2HG GLN 42 2HG GLN 42 11.556 -9.598 -9.662 344 1HE2 GLN 42 2HE2 GLN 42 9.903 -10.037 -12.214 345 2HE2 GLN 42 1HE2 GLN 42 9.723 -11.722 -12.308 346 H LYS 43 H LYS 43 14.425 -9.275 -10.184 347 HA LYS 43 HA LYS 43 16.115 -9.952 -12.507 348 1HB LYS 43 1HB LYS 43 16.929 -8.185 -10.204 349 2HB LYS 43 2HB LYS 43 18.137 -9.154 -11.050 350 1HG LYS 43 1HG LYS 43 17.248 -8.147 -13.215 351 2HG LYS 43 2HG LYS 43 16.341 -7.013 -12.212 352 1HD LYS 43 1HD LYS 43 18.475 -6.320 -11.125 353 2HD LYS 43 2HD LYS 43 19.351 -7.387 -12.224 354 1HE LYS 43 1HE LYS 43 19.013 -6.007 -14.050 355 2HE LYS 43 2HE LYS 43 17.458 -5.408 -13.437 356 1HZ LYS 43 1HZ LYS 43 18.670 -4.269 -11.654 357 2HZ LYS 43 2HZ LYS 43 20.143 -4.774 -12.329 358 3HZ LYS 43 3HZ LYS 43 19.138 -3.706 -13.187 359 H GLY 44 H GLY 44 14.450 -11.564 -10.824 360 1HA GLY 44 1HA GLY 44 15.281 -13.895 -10.279 361 2HA GLY 44 2HA GLY 44 16.507 -13.104 -9.287 362 H ASP 45 H ASP 45 15.941 -12.384 -7.226 363 HA ASP 45 HA ASP 45 13.165 -13.082 -6.333 364 1HB ASP 45 1HB ASP 45 15.911 -13.198 -5.104 365 2HB ASP 45 2HB ASP 45 14.487 -13.133 -4.066 366 H ASP 46 H ASP 46 15.050 -10.455 -7.104 367 HA ASP 46 HA ASP 46 13.951 -8.730 -4.925 368 1HB ASP 46 1HB ASP 46 16.372 -8.689 -5.310 369 2HB ASP 46 2HB ASP 46 16.114 -8.327 -7.017 370 H PHE 47 H PHE 47 12.687 -6.891 -5.476 371 HA PHE 47 HA PHE 47 11.816 -6.712 -8.342 372 1HB PHE 47 1HB PHE 47 10.361 -7.227 -5.841 373 2HB PHE 47 2HB PHE 47 9.654 -5.927 -6.799 374 HD1 PHE 47 HD1 PHE 47 10.228 -6.716 -9.549 375 HD2 PHE 47 HD2 PHE 47 9.037 -9.133 -6.203 376 HE1 PHE 47 HE1 PHE 47 9.253 -8.387 -11.101 377 HE2 PHE 47 HE2 PHE 47 8.062 -10.804 -7.756 378 HZ PHE 47 HZ PHE 47 8.171 -10.431 -10.205 379 H VAL 48 H VAL 48 11.866 -4.636 -9.154 380 HA VAL 48 HA VAL 48 12.219 -2.389 -7.194 381 HB VAL 48 HB VAL 48 13.382 -2.774 -9.972 382 1HG1 VAL 48 1HG1 VAL 48 12.887 -0.397 -8.844 383 2HG1 VAL 48 2HG1 VAL 48 14.399 -0.763 -8.014 384 3HG1 VAL 48 3HG1 VAL 48 14.355 -0.692 -9.775 385 1HG2 VAL 48 1HG2 VAL 48 14.306 -4.297 -8.208 386 2HG2 VAL 48 2HG2 VAL 48 15.499 -3.151 -8.822 387 3HG2 VAL 48 3HG2 VAL 48 14.735 -2.875 -7.258 388 H VAL 49 H VAL 49 10.224 -1.369 -7.214 389 HA VAL 49 HA VAL 49 8.904 -0.917 -9.865 390 HB VAL 49 HB VAL 49 7.857 -0.879 -7.015 391 1HG1 VAL 49 1HG1 VAL 49 6.757 0.066 -9.553 392 2HG1 VAL 49 2HG1 VAL 49 5.729 -1.148 -8.791 393 3HG1 VAL 49 3HG1 VAL 49 6.162 0.320 -7.912 394 1HG2 VAL 49 1HG2 VAL 49 8.552 -3.066 -8.479 395 2HG2 VAL 49 2HG2 VAL 49 7.238 -3.062 -7.303 396 3HG2 VAL 49 3HG2 VAL 49 6.888 -2.839 -9.017 397 H THR 50 H THR 50 8.706 1.186 -10.579 398 HA THR 50 HA THR 50 9.230 3.395 -8.620 399 HB THR 50 HB THR 50 10.323 3.001 -11.425 400 HG1 THR 50 HG1 THR 50 11.847 2.085 -10.337 401 1HG2 THR 50 1HG2 THR 50 11.594 5.111 -10.901 402 2HG2 THR 50 2HG2 THR 50 9.858 5.349 -11.105 403 3HG2 THR 50 3HG2 THR 50 10.559 5.315 -9.488 404 H SER 51 H SER 51 7.207 4.353 -8.535 405 HA SER 51 HA SER 51 5.572 4.594 -10.995 406 1HB SER 51 1HB SER 51 5.236 4.849 -8.043 407 2HB SER 51 2HB SER 51 4.138 5.784 -9.054 408 HG SER 51 HG SER 51 4.578 2.986 -9.020 409 H LYS 52 H LYS 52 5.288 6.534 -12.081 410 HA LYS 52 HA LYS 52 6.474 9.002 -10.856 411 1HB LYS 52 1HB LYS 52 7.333 9.508 -13.142 412 2HB LYS 52 2HB LYS 52 7.997 8.002 -12.506 413 1HG LYS 52 1HG LYS 52 6.374 6.700 -13.781 414 2HG LYS 52 2HG LYS 52 5.598 8.179 -14.352 415 1HD LYS 52 1HD LYS 52 7.244 8.613 -15.878 416 2HD LYS 52 2HD LYS 52 8.519 7.989 -14.831 417 1HE LYS 52 1HE LYS 52 6.800 5.802 -15.541 418 2HE LYS 52 2HE LYS 52 7.277 6.655 -17.023 419 1HZ LYS 52 1HZ LYS 52 9.575 6.662 -16.198 420 2HZ LYS 52 2HZ LYS 52 9.094 5.736 -14.856 421 3HZ LYS 52 3HZ LYS 52 8.989 5.082 -16.418 422 H THR 53 H THR 53 5.008 10.661 -10.839 423 HA THR 53 HA THR 53 2.622 10.451 -12.641 424 HB THR 53 HB THR 53 2.038 12.281 -10.661 425 HG1 THR 53 HG1 THR 53 3.873 11.924 -9.505 426 1HG2 THR 53 1HG2 THR 53 1.104 10.076 -9.508 427 2HG2 THR 53 2HG2 THR 53 0.426 10.664 -11.026 428 3HG2 THR 53 3HG2 THR 53 1.600 9.347 -11.035 429 HA PRO 54 HA PRO 54 3.631 14.272 -14.546 430 1HB PRO 54 1HB PRO 54 1.238 15.598 -14.618 431 2HB PRO 54 2HB PRO 54 1.592 14.189 -15.638 432 1HG PRO 54 1HG PRO 54 0.011 14.356 -13.125 433 2HG PRO 54 2HG PRO 54 -0.274 13.384 -14.576 434 1HD PRO 54 1HD PRO 54 0.801 12.389 -12.267 435 2HD PRO 54 2HD PRO 54 1.107 11.702 -13.878 436 H ARG 55 H ARG 55 2.292 14.304 -11.358 437 HA ARG 55 HA ARG 55 3.028 17.180 -10.980 438 1HB ARG 55 1HB ARG 55 1.231 15.195 -9.587 439 2HB ARG 55 2HB ARG 55 1.719 16.689 -8.784 440 1HG ARG 55 1HG ARG 55 0.787 18.019 -10.606 441 2HG ARG 55 2HG ARG 55 0.383 16.554 -11.503 442 1HD ARG 55 1HD ARG 55 -1.667 16.975 -10.474 443 2HD ARG 55 2HD ARG 55 -0.907 15.971 -9.223 444 HE ARG 55 HE ARG 55 -1.132 18.934 -9.150 445 1HH1 ARG 55 1HH1 ARG 55 -2.001 16.725 -7.105 446 2HH1 ARG 55 2HH1 ARG 55 -0.860 17.037 -5.840 447 1HH2 ARG 55 1HH2 ARG 55 1.191 19.017 -7.814 448 2HH2 ARG 55 2HH2 ARG 55 0.947 18.335 -6.241 449 H GLN 56 H GLN 56 3.967 13.933 -10.194 450 HA GLN 56 HA GLN 56 6.385 14.862 -8.848 451 1HB GLN 56 1HB GLN 56 5.800 13.901 -6.652 452 2HB GLN 56 2HB GLN 56 4.636 15.145 -7.107 453 1HG GLN 56 1HG GLN 56 3.089 13.410 -7.925 454 2HG GLN 56 2HG GLN 56 4.252 12.161 -7.481 455 1HE2 GLN 56 2HE2 GLN 56 4.735 11.914 -5.123 456 2HE2 GLN 56 1HE2 GLN 56 3.593 12.423 -3.974 457 H THR 57 H THR 57 7.786 12.997 -8.268 458 HA THR 57 HA THR 57 6.944 10.436 -9.586 459 HB THR 57 HB THR 57 9.381 10.351 -10.330 460 HG1 THR 57 HG1 THR 57 10.551 12.204 -10.154 461 1HG2 THR 57 1HG2 THR 57 7.984 12.806 -11.383 462 2HG2 THR 57 2HG2 THR 57 8.957 11.631 -12.267 463 3HG2 THR 57 3HG2 THR 57 7.349 11.189 -11.693 464 H VAL 58 H VAL 58 7.325 8.639 -8.325 465 HA VAL 58 HA VAL 58 9.189 8.927 -5.991 466 HB VAL 58 HB VAL 58 6.460 7.597 -6.094 467 1HG1 VAL 58 1HG1 VAL 58 8.388 8.065 -3.797 468 2HG1 VAL 58 2HG1 VAL 58 6.768 7.383 -3.647 469 3HG1 VAL 58 3HG1 VAL 58 8.017 6.504 -4.529 470 1HG2 VAL 58 1HG2 VAL 58 6.546 10.149 -6.158 471 2HG2 VAL 58 2HG2 VAL 58 5.662 9.452 -4.800 472 3HG2 VAL 58 3HG2 VAL 58 7.296 10.073 -4.563 473 H THR 59 H THR 59 10.670 7.277 -5.912 474 HA THR 59 HA THR 59 10.160 4.858 -7.609 475 HB THR 59 HB THR 59 12.066 6.442 -8.134 476 HG1 THR 59 HG1 THR 59 12.157 4.260 -8.744 477 1HG2 THR 59 1HG2 THR 59 13.301 5.297 -5.623 478 2HG2 THR 59 2HG2 THR 59 13.948 6.566 -6.663 479 3HG2 THR 59 3HG2 THR 59 12.525 6.881 -5.669 480 H ASN 60 H ASN 60 10.127 2.874 -6.587 481 HA ASN 60 HA ASN 60 11.065 2.753 -3.739 482 1HB ASN 60 1HB ASN 60 8.588 1.532 -5.005 483 2HB ASN 60 2HB ASN 60 9.069 1.343 -3.319 484 1HD2 ASN 60 2HD2 ASN 60 6.574 2.545 -3.939 485 2HD2 ASN 60 1HD2 ASN 60 6.641 4.194 -3.540 486 H SER 61 H SER 61 11.918 0.684 -3.107 487 HA SER 61 HA SER 61 12.171 -1.403 -5.214 488 1HB SER 61 1HB SER 61 14.048 0.333 -5.307 489 2HB SER 61 2HB SER 61 14.549 -0.261 -3.726 490 HG SER 61 HG SER 61 15.178 -1.251 -6.056 491 H PHE 62 H PHE 62 11.841 -3.370 -4.251 492 HA PHE 62 HA PHE 62 12.700 -3.753 -1.416 493 1HB PHE 62 1HB PHE 62 10.447 -4.828 -1.033 494 2HB PHE 62 2HB PHE 62 10.363 -3.095 -1.351 495 HD1 PHE 62 HD1 PHE 62 9.823 -6.461 -2.789 496 HD2 PHE 62 HD2 PHE 62 9.400 -2.229 -3.392 497 HE1 PHE 62 HE1 PHE 62 8.354 -6.886 -4.741 498 HE2 PHE 62 HE2 PHE 62 7.931 -2.654 -5.343 499 HZ PHE 62 HZ PHE 62 7.408 -4.983 -6.018 500 H THR 63 H THR 63 12.433 -6.197 -0.860 501 HA THR 63 HA THR 63 13.182 -7.822 -3.271 502 HB THR 63 HB THR 63 14.049 -8.069 -0.371 503 HG1 THR 63 HG1 THR 63 15.214 -6.431 -1.034 504 1HG2 THR 63 1HG2 THR 63 15.856 -9.505 -1.631 505 2HG2 THR 63 2HG2 THR 63 14.292 -10.219 -1.233 506 3HG2 THR 63 3HG2 THR 63 14.604 -9.636 -2.868 507 H LEU 64 H LEU 64 12.304 -9.950 -3.381 508 HA LEU 64 HA LEU 64 9.752 -10.333 -2.004 509 1HB LEU 64 1HB LEU 64 11.420 -11.932 -3.965 510 2HB LEU 64 2HB LEU 64 9.836 -12.463 -3.396 511 HG LEU 64 HG LEU 64 10.064 -9.675 -4.439 512 1HD1 LEU 64 1HD1 LEU 64 10.899 -11.957 -5.959 513 2HD1 LEU 64 2HD1 LEU 64 9.363 -11.387 -6.610 514 3HD1 LEU 64 3HD1 LEU 64 10.735 -10.285 -6.498 515 1HD2 LEU 64 1HD2 LEU 64 8.002 -11.896 -4.511 516 2HD2 LEU 64 2HD2 LEU 64 7.930 -10.400 -3.580 517 3HD2 LEU 64 3HD2 LEU 64 7.791 -10.351 -5.337 518 H GLY 65 H GLY 65 9.576 -11.316 -0.031 519 1HA GLY 65 1HA GLY 65 9.942 -13.269 1.390 520 2HA GLY 65 2HA GLY 65 11.545 -13.440 0.673 521 H LYS 66 H LYS 66 10.969 -10.196 1.227 522 HA LYS 66 HA LYS 66 11.991 -10.261 4.028 523 1HB LYS 66 1HB LYS 66 13.751 -10.208 2.046 524 2HB LYS 66 2HB LYS 66 13.309 -8.501 1.985 525 1HG LYS 66 1HG LYS 66 13.781 -8.356 4.448 526 2HG LYS 66 2HG LYS 66 14.388 -10.011 4.379 527 1HD LYS 66 1HD LYS 66 15.456 -7.738 2.682 528 2HD LYS 66 2HD LYS 66 16.198 -8.285 4.186 529 1HE LYS 66 1HE LYS 66 16.532 -10.531 3.234 530 2HE LYS 66 2HE LYS 66 15.749 -10.017 1.727 531 1HZ LYS 66 1HZ LYS 66 18.152 -8.754 2.940 532 2HZ LYS 66 2HZ LYS 66 18.161 -9.780 1.585 533 3HZ LYS 66 3HZ LYS 66 17.395 -8.265 1.502 534 H GLU 67 H GLU 67 11.404 -8.398 5.206 535 HA GLU 67 HA GLU 67 9.163 -6.856 4.267 536 1HB GLU 67 1HB GLU 67 9.769 -7.462 6.636 537 2HB GLU 67 2HB GLU 67 11.089 -6.297 6.544 538 1HG GLU 67 1HG GLU 67 9.546 -4.472 6.185 539 2HG GLU 67 2HG GLU 67 8.189 -5.589 6.032 540 H ALA 68 H ALA 68 9.195 -5.043 2.998 541 HA ALA 68 HA ALA 68 11.750 -3.475 2.840 542 1HB ALA 68 1HB ALA 68 11.022 -5.007 0.882 543 2HB ALA 68 2HB ALA 68 9.746 -3.821 0.606 544 3HB ALA 68 3HB ALA 68 11.439 -3.339 0.490 545 H ASP 69 H ASP 69 11.491 -1.194 2.711 546 HA ASP 69 HA ASP 69 8.962 -0.153 3.790 547 1HB ASP 69 1HB ASP 69 11.569 1.156 2.946 548 2HB ASP 69 2HB ASP 69 10.287 1.947 3.865 549 H ILE 70 H ILE 70 7.418 0.950 2.605 550 HA ILE 70 HA ILE 70 8.057 1.580 -0.260 551 HB ILE 70 HB ILE 70 5.738 0.178 1.057 552 1HG1 ILE 70 1HG1 ILE 70 7.562 -1.176 0.120 553 2HG1 ILE 70 2HG1 ILE 70 6.102 -1.376 -0.851 554 1HG2 ILE 70 1HG2 ILE 70 4.897 2.114 -0.343 555 2HG2 ILE 70 2HG2 ILE 70 5.677 1.358 -1.733 556 3HG2 ILE 70 3HG2 ILE 70 4.367 0.525 -0.895 557 1HD1 ILE 70 1HD1 ILE 70 7.067 0.593 -2.267 558 2HD1 ILE 70 2HD1 ILE 70 8.599 0.174 -1.499 559 3HD1 ILE 70 3HD1 ILE 70 7.750 -1.019 -2.482 560 H THR 71 H THR 71 7.162 3.536 -1.033 561 HA THR 71 HA THR 71 5.799 5.243 1.028 562 HB THR 71 HB THR 71 8.079 5.959 0.547 563 HG1 THR 71 HG1 THR 71 6.235 7.553 -0.902 564 1HG2 THR 71 1HG2 THR 71 8.619 6.631 -1.850 565 2HG2 THR 71 2HG2 THR 71 8.508 4.897 -1.552 566 3HG2 THR 71 3HG2 THR 71 7.172 5.745 -2.329 567 H THR 72 H THR 72 3.835 6.092 0.409 568 HA THR 72 HA THR 72 2.724 5.357 -2.210 569 HB THR 72 HB THR 72 1.152 7.176 -0.572 570 HG1 THR 72 HG1 THR 72 2.350 4.918 0.652 571 1HG2 THR 72 1HG2 THR 72 0.087 4.621 -0.384 572 2HG2 THR 72 2HG2 THR 72 -0.289 5.802 -1.638 573 3HG2 THR 72 3HG2 THR 72 0.958 4.587 -1.917 574 H MET 73 H MET 73 1.874 6.953 -3.721 575 HA MET 73 HA MET 73 3.608 9.215 -4.171 576 1HB MET 73 1HB MET 73 2.037 7.686 -5.697 577 2HB MET 73 2HB MET 73 0.885 8.987 -5.392 578 1HG MET 73 1HG MET 73 1.966 10.381 -6.797 579 2HG MET 73 2HG MET 73 3.521 10.036 -6.040 580 1HE MET 73 1HE MET 73 0.709 8.646 -8.070 581 2HE MET 73 2HE MET 73 1.411 7.530 -9.237 582 3HE MET 73 3HE MET 73 1.278 7.056 -7.546 583 H ASP 74 H ASP 74 0.764 8.777 -2.257 584 HA ASP 74 HA ASP 74 -0.044 11.606 -2.302 585 1HB ASP 74 1HB ASP 74 -1.738 9.912 -2.084 586 2HB ASP 74 2HB ASP 74 -0.870 9.131 -0.762 587 H GLY 75 H GLY 75 2.271 9.715 -0.638 588 1HA GLY 75 1HA GLY 75 3.908 10.880 0.787 589 2HA GLY 75 2HA GLY 75 2.593 11.899 1.373 590 H LYS 76 H LYS 76 2.246 8.428 0.961 591 HA LYS 76 HA LYS 76 1.900 8.193 3.925 592 1HB LYS 76 1HB LYS 76 0.564 7.194 1.519 593 2HB LYS 76 2HB LYS 76 0.907 5.909 2.677 594 1HG LYS 76 1HG LYS 76 -0.111 7.377 4.468 595 2HG LYS 76 2HG LYS 76 -0.634 8.465 3.182 596 1HD LYS 76 1HD LYS 76 -1.997 6.755 2.180 597 2HD LYS 76 2HD LYS 76 -1.324 5.518 3.242 598 1HE LYS 76 1HE LYS 76 -2.256 6.902 5.199 599 2HE LYS 76 2HE LYS 76 -3.192 7.783 3.975 600 1HZ LYS 76 1HZ LYS 76 -3.129 4.822 4.186 601 2HZ LYS 76 2HZ LYS 76 -4.342 5.785 4.884 602 3HZ LYS 76 3HZ LYS 76 -4.139 5.758 3.196 603 H LYS 77 H LYS 77 3.332 6.916 5.047 604 HA LYS 77 HA LYS 77 5.269 5.270 3.455 605 1HB LYS 77 1HB LYS 77 5.460 6.520 6.217 606 2HB LYS 77 2HB LYS 77 6.760 5.661 5.389 607 1HG LYS 77 1HG LYS 77 6.726 7.323 3.577 608 2HG LYS 77 2HG LYS 77 5.406 8.177 4.375 609 1HD LYS 77 1HD LYS 77 6.834 8.621 6.318 610 2HD LYS 77 2HD LYS 77 8.153 7.716 5.575 611 1HE LYS 77 1HE LYS 77 8.264 9.328 3.728 612 2HE LYS 77 2HE LYS 77 6.885 10.219 4.402 613 1HZ LYS 77 1HZ LYS 77 9.430 9.677 5.841 614 2HZ LYS 77 2HZ LYS 77 9.027 11.156 5.116 615 3HZ LYS 77 3HZ LYS 77 8.115 10.578 6.428 616 H LEU 78 H LEU 78 5.429 3.083 3.933 617 HA LEU 78 HA LEU 78 4.485 1.946 6.448 618 1HB LEU 78 1HB LEU 78 2.567 0.754 5.448 619 2HB LEU 78 2HB LEU 78 2.372 2.498 5.268 620 HG LEU 78 HG LEU 78 3.861 1.339 3.045 621 1HD1 LEU 78 1HD1 LEU 78 1.634 -0.181 4.028 622 2HD1 LEU 78 2HD1 LEU 78 1.177 0.562 2.495 623 3HD1 LEU 78 3HD1 LEU 78 2.605 -0.470 2.583 624 1HD2 LEU 78 1HD2 LEU 78 2.751 3.606 3.201 625 2HD2 LEU 78 2HD2 LEU 78 2.316 2.684 1.762 626 3HD2 LEU 78 3HD2 LEU 78 1.195 2.781 3.118 627 H LYS 79 H LYS 79 4.841 -0.413 6.486 628 HA LYS 79 HA LYS 79 6.882 -1.253 4.472 629 1HB LYS 79 1HB LYS 79 6.181 -2.479 7.155 630 2HB LYS 79 2HB LYS 79 7.665 -2.704 6.229 631 1HG LYS 79 1HG LYS 79 8.319 -0.407 6.582 632 2HG LYS 79 2HG LYS 79 6.758 -0.023 7.309 633 1HD LYS 79 1HD LYS 79 7.228 -1.595 9.155 634 2HD LYS 79 2HD LYS 79 8.796 -1.967 8.436 635 1HE LYS 79 1HE LYS 79 9.182 0.626 8.542 636 2HE LYS 79 2HE LYS 79 7.888 0.584 9.756 637 1HZ LYS 79 1HZ LYS 79 9.120 -1.300 10.805 638 2HZ LYS 79 2HZ LYS 79 10.418 -0.969 9.765 639 3HZ LYS 79 3HZ LYS 79 9.920 0.196 10.897 640 H CYS 80 H CYS 80 6.812 -3.656 3.931 641 HA CYS 80 HA CYS 80 4.426 -5.220 4.289 642 1HB CYS 80 1HB CYS 80 3.470 -4.874 2.023 643 2HB CYS 80 2HB CYS 80 3.485 -3.375 2.951 644 HG CYS 80 HG CYS 80 4.524 -2.802 0.639 645 H THR 81 H THR 81 4.894 -7.317 3.650 646 HA THR 81 HA THR 81 7.494 -7.781 2.297 647 HB THR 81 HB THR 81 5.521 -9.726 3.534 648 HG1 THR 81 HG1 THR 81 6.171 -8.137 5.025 649 1HG2 THR 81 1HG2 THR 81 8.519 -9.964 3.232 650 2HG2 THR 81 2HG2 THR 81 7.366 -11.234 3.642 651 3HG2 THR 81 3HG2 THR 81 7.392 -10.561 2.012 652 H VAL 82 H VAL 82 7.221 -7.629 0.067 653 HA VAL 82 HA VAL 82 4.801 -8.509 -1.294 654 HB VAL 82 HB VAL 82 7.588 -7.841 -2.297 655 1HG1 VAL 82 1HG1 VAL 82 4.895 -7.950 -3.688 656 2HG1 VAL 82 2HG1 VAL 82 6.367 -7.303 -4.410 657 3HG1 VAL 82 3HG1 VAL 82 6.271 -9.011 -3.986 658 1HG2 VAL 82 1HG2 VAL 82 5.873 -6.193 -0.916 659 2HG2 VAL 82 2HG2 VAL 82 7.069 -5.635 -2.086 660 3HG2 VAL 82 3HG2 VAL 82 5.397 -5.889 -2.587 661 H HIS 83 H HIS 83 4.457 -10.477 -2.341 662 HA HIS 83 HA HIS 83 6.711 -12.424 -2.501 663 1HB HIS 83 1HB HIS 83 5.252 -14.116 -1.408 664 2HB HIS 83 2HB HIS 83 5.572 -12.748 -0.341 665 HD1 HIS 83 HD1 HIS 83 3.566 -11.581 0.594 666 HD2 HIS 83 HD2 HIS 83 2.606 -13.840 -2.775 667 HE1 HIS 83 HE1 HIS 83 1.049 -11.457 0.342 668 H LEU 84 H LEU 84 6.286 -14.134 -4.059 669 HA LEU 84 HA LEU 84 4.262 -13.353 -6.104 670 1HB LEU 84 1HB LEU 84 6.935 -14.009 -6.207 671 2HB LEU 84 2HB LEU 84 6.169 -15.537 -6.647 672 HG LEU 84 HG LEU 84 4.831 -14.351 -8.369 673 1HD1 LEU 84 1HD1 LEU 84 5.440 -12.094 -6.921 674 2HD1 LEU 84 2HD1 LEU 84 6.533 -11.947 -8.296 675 3HD1 LEU 84 3HD1 LEU 84 4.795 -12.087 -8.562 676 1HD2 LEU 84 1HD2 LEU 84 7.356 -15.221 -8.594 677 2HD2 LEU 84 2HD2 LEU 84 6.528 -14.430 -9.935 678 3HD2 LEU 84 3HD2 LEU 84 7.645 -13.514 -8.926 679 H ALA 85 H ALA 85 2.504 -14.666 -6.509 680 HA ALA 85 HA ALA 85 2.510 -17.435 -5.367 681 1HB ALA 85 1HB ALA 85 0.493 -15.199 -5.057 682 2HB ALA 85 2HB ALA 85 0.088 -16.883 -4.726 683 3HB ALA 85 3HB ALA 85 1.339 -16.076 -3.782 684 H ASN 86 H ASN 86 2.178 -18.783 -7.094 685 HA ASN 86 HA ASN 86 1.233 -19.654 -9.077 686 1HB ASN 86 1HB ASN 86 -0.801 -18.980 -7.670 687 2HB ASN 86 2HB ASN 86 -0.865 -17.515 -8.650 688 1HD2 ASN 86 2HD2 ASN 86 -0.471 -21.062 -9.258 689 2HD2 ASN 86 1HD2 ASN 86 -1.548 -21.098 -10.570 690 H GLY 87 H GLY 87 3.118 -17.311 -9.129 691 1HA GLY 87 1HA GLY 87 4.084 -16.073 -10.891 692 2HA GLY 87 2HA GLY 87 2.798 -16.656 -11.948 693 H LYS 88 H LYS 88 2.458 -14.885 -8.884 694 HA LYS 88 HA LYS 88 1.609 -12.443 -10.331 695 1HB LYS 88 1HB LYS 88 -0.182 -14.233 -8.669 696 2HB LYS 88 2HB LYS 88 -0.601 -12.565 -9.057 697 1HG LYS 88 1HG LYS 88 -0.368 -13.100 -11.478 698 2HG LYS 88 2HG LYS 88 -0.055 -14.783 -11.051 699 1HD LYS 88 1HD LYS 88 -2.273 -14.802 -9.844 700 2HD LYS 88 2HD LYS 88 -2.589 -13.207 -10.529 701 1HE LYS 88 1HE LYS 88 -2.648 -14.042 -12.750 702 2HE LYS 88 2HE LYS 88 -1.850 -15.558 -12.287 703 1HZ LYS 88 1HZ LYS 88 -4.413 -14.724 -11.071 704 2HZ LYS 88 2HZ LYS 88 -4.376 -15.603 -12.525 705 3HZ LYS 88 3HZ LYS 88 -3.717 -16.273 -11.112 706 H LEU 89 H LEU 89 2.428 -10.751 -9.164 707 HA LEU 89 HA LEU 89 3.567 -11.099 -6.526 708 1HB LEU 89 1HB LEU 89 4.243 -9.512 -8.409 709 2HB LEU 89 2HB LEU 89 2.852 -8.527 -7.957 710 HG LEU 89 HG LEU 89 4.711 -9.364 -5.777 711 1HD1 LEU 89 1HD1 LEU 89 5.899 -8.382 -7.991 712 2HD1 LEU 89 2HD1 LEU 89 5.409 -6.865 -7.237 713 3HD1 LEU 89 3HD1 LEU 89 6.453 -7.987 -6.364 714 1HD2 LEU 89 1HD2 LEU 89 3.022 -6.949 -6.467 715 2HD2 LEU 89 2HD2 LEU 89 2.811 -8.073 -5.124 716 3HD2 LEU 89 3HD2 LEU 89 4.165 -6.944 -5.122 717 H VAL 90 H VAL 90 2.608 -10.732 -4.546 718 HA VAL 90 HA VAL 90 0.012 -9.256 -4.460 719 HB VAL 90 HB VAL 90 0.641 -12.028 -3.403 720 1HG1 VAL 90 1HG1 VAL 90 -1.434 -10.032 -2.645 721 2HG1 VAL 90 2HG1 VAL 90 -1.973 -11.699 -2.846 722 3HG1 VAL 90 3HG1 VAL 90 -0.704 -11.317 -1.682 723 1HG2 VAL 90 1HG2 VAL 90 -1.042 -10.878 -5.600 724 2HG2 VAL 90 2HG2 VAL 90 -0.055 -12.339 -5.597 725 3HG2 VAL 90 3HG2 VAL 90 -1.617 -12.329 -4.777 726 H THR 91 H THR 91 0.274 -7.669 -2.943 727 HA THR 91 HA THR 91 2.136 -8.187 -0.649 728 HB THR 91 HB THR 91 1.239 -5.655 -2.062 729 HG1 THR 91 HG1 THR 91 3.709 -7.033 -1.866 730 1HG2 THR 91 1HG2 THR 91 3.299 -4.883 -0.487 731 2HG2 THR 91 2HG2 THR 91 1.610 -4.752 0.004 732 3HG2 THR 91 3HG2 THR 91 2.581 -6.123 0.542 733 H LYS 92 H LYS 92 0.519 -9.116 0.748 734 HA LYS 92 HA LYS 92 -1.971 -7.631 1.280 735 1HB LYS 92 1HB LYS 92 -2.354 -9.555 2.806 736 2HB LYS 92 2HB LYS 92 -1.878 -10.095 1.196 737 1HG LYS 92 1HG LYS 92 0.469 -10.305 1.981 738 2HG LYS 92 2HG LYS 92 -0.050 -9.836 3.601 739 1HD LYS 92 1HD LYS 92 -1.302 -12.169 2.148 740 2HD LYS 92 2HD LYS 92 0.150 -12.361 3.132 741 1HE LYS 92 1HE LYS 92 -1.332 -11.011 4.914 742 2HE LYS 92 2HE LYS 92 -2.650 -11.764 3.993 743 1HZ LYS 92 1HZ LYS 92 -1.440 -13.893 4.172 744 2HZ LYS 92 2HZ LYS 92 -0.305 -13.145 5.190 745 3HZ LYS 92 3HZ LYS 92 -1.924 -13.291 5.682 746 H SER 93 H SER 93 -2.502 -6.931 3.511 747 HA SER 93 HA SER 93 -0.231 -6.539 5.373 748 1HB SER 93 1HB SER 93 -1.391 -4.514 3.565 749 2HB SER 93 2HB SER 93 -1.257 -3.993 5.242 750 HG SER 93 HG SER 93 0.788 -3.762 4.873 751 H GLU 94 H GLU 94 -1.342 -4.808 7.150 752 HA GLU 94 HA GLU 94 -3.755 -6.287 8.082 753 1HB GLU 94 1HB GLU 94 -3.071 -5.584 10.237 754 2HB GLU 94 2HB GLU 94 -1.549 -5.871 9.394 755 1HG GLU 94 1HG GLU 94 -0.988 -3.667 9.392 756 2HG GLU 94 2HG GLU 94 -2.640 -3.151 9.051 757 H LYS 95 H LYS 95 -4.021 -4.317 5.932 758 HA LYS 95 HA LYS 95 -6.246 -2.793 6.918 759 1HB LYS 95 1HB LYS 95 -5.180 -0.566 6.929 760 2HB LYS 95 2HB LYS 95 -4.387 -1.634 8.088 761 1HG LYS 95 1HG LYS 95 -2.438 -1.676 6.910 762 2HG LYS 95 2HG LYS 95 -3.267 -1.719 5.354 763 1HD LYS 95 1HD LYS 95 -3.413 0.584 5.208 764 2HD LYS 95 2HD LYS 95 -3.429 0.799 6.960 765 1HE LYS 95 1HE LYS 95 -0.936 -0.348 6.487 766 2HE LYS 95 2HE LYS 95 -1.145 0.777 5.130 767 1HZ LYS 95 1HZ LYS 95 -1.817 1.522 7.917 768 2HZ LYS 95 2HZ LYS 95 -0.265 1.765 7.277 769 3HZ LYS 95 3HZ LYS 95 -1.602 2.546 6.579 770 H PHE 96 H PHE 96 -4.289 -3.973 4.491 771 HA PHE 96 HA PHE 96 -6.052 -3.114 2.372 772 1HB PHE 96 1HB PHE 96 -4.633 -1.493 1.304 773 2HB PHE 96 2HB PHE 96 -4.722 -1.029 3.003 774 HD1 PHE 96 HD1 PHE 96 -2.720 -3.482 0.975 775 HD2 PHE 96 HD2 PHE 96 -2.694 -0.331 3.894 776 HE1 PHE 96 HE1 PHE 96 -0.254 -3.672 1.158 777 HE2 PHE 96 HE2 PHE 96 -0.228 -0.522 4.078 778 HZ PHE 96 HZ PHE 96 0.992 -2.191 2.709 779 H SER 97 H SER 97 -5.604 -4.286 0.451 780 HA SER 97 HA SER 97 -3.213 -6.100 0.563 781 1HB SER 97 1HB SER 97 -6.096 -6.571 -0.229 782 2HB SER 97 2HB SER 97 -4.810 -7.702 -0.640 783 HG SER 97 HG SER 97 -5.578 -8.375 1.299 784 H HIS 98 H HIS 98 -2.266 -6.600 -1.506 785 HA HIS 98 HA HIS 98 -3.258 -4.990 -3.827 786 1HB HIS 98 1HB HIS 98 -1.444 -3.821 -2.555 787 2HB HIS 98 2HB HIS 98 -0.390 -5.202 -2.855 788 HD2 HIS 98 HD2 HIS 98 -1.550 -1.984 -4.665 789 HE1 HIS 98 HE1 HIS 98 0.452 -4.341 -7.556 790 HE2 HIS 98 HE2 HIS 98 -0.538 -2.080 -7.049 791 H GLU 99 H GLU 99 -2.970 -6.034 -5.819 792 HA GLU 99 HA GLU 99 -1.263 -8.450 -5.982 793 1HB GLU 99 1HB GLU 99 -4.284 -8.425 -6.285 794 2HB GLU 99 2HB GLU 99 -3.258 -9.787 -6.737 795 1HG GLU 99 1HG GLU 99 -2.380 -9.816 -4.378 796 2HG GLU 99 2HG GLU 99 -3.588 -8.597 -3.970 797 H GLN 100 H GLN 100 -0.334 -8.450 -7.994 798 HA GLN 100 HA GLN 100 -1.821 -7.145 -10.248 799 1HB GLN 100 1HB GLN 100 -0.134 -5.622 -9.340 800 2HB GLN 100 2HB GLN 100 1.096 -6.883 -9.451 801 1HG GLN 100 1HG GLN 100 0.929 -6.917 -11.868 802 2HG GLN 100 2HG GLN 100 -0.439 -5.804 -11.831 803 1HE2 GLN 100 2HE2 GLN 100 2.683 -5.695 -10.031 804 2HE2 GLN 100 1HE2 GLN 100 3.130 -4.163 -10.609 805 H GLU 101 H GLU 101 -1.334 -8.054 -12.338 806 HA GLU 101 HA GLU 101 0.465 -10.414 -12.449 807 1HB GLU 101 1HB GLU 101 -1.404 -11.817 -13.287 808 2HB GLU 101 2HB GLU 101 -1.724 -11.231 -11.654 809 1HG GLU 101 1HG GLU 101 -3.130 -9.435 -12.536 810 2HG GLU 101 2HG GLU 101 -2.759 -9.928 -14.189 811 H VAL 102 H VAL 102 0.950 -11.021 -14.670 812 HA VAL 102 HA VAL 102 0.185 -8.925 -16.679 813 HB VAL 102 HB VAL 102 2.547 -8.915 -15.856 814 1HG1 VAL 102 1HG1 VAL 102 2.578 -11.426 -15.481 815 2HG1 VAL 102 2HG1 VAL 102 2.754 -11.608 -17.227 816 3HG1 VAL 102 3HG1 VAL 102 4.002 -10.779 -16.296 817 1HG2 VAL 102 1HG2 VAL 102 1.914 -8.230 -18.198 818 2HG2 VAL 102 2HG2 VAL 102 3.570 -8.822 -18.055 819 3HG2 VAL 102 3HG2 VAL 102 2.316 -9.863 -18.728 820 H LYS 103 H LYS 103 -0.692 -9.688 -18.587 821 HA LYS 103 HA LYS 103 -0.554 -12.642 -19.101 822 1HB LYS 103 1HB LYS 103 -2.835 -10.692 -18.992 823 2HB LYS 103 2HB LYS 103 -2.950 -12.076 -20.081 824 1HG LYS 103 1HG LYS 103 -2.432 -13.581 -18.158 825 2HG LYS 103 2HG LYS 103 -2.452 -12.178 -17.091 826 1HD LYS 103 1HD LYS 103 -4.770 -11.768 -17.517 827 2HD LYS 103 2HD LYS 103 -4.792 -12.907 -18.864 828 1HE LYS 103 1HE LYS 103 -3.903 -14.063 -16.284 829 2HE LYS 103 2HE LYS 103 -5.606 -13.569 -16.346 830 1HZ LYS 103 1HZ LYS 103 -5.789 -14.726 -18.491 831 2HZ LYS 103 2HZ LYS 103 -4.194 -15.285 -18.321 832 3HZ LYS 103 3HZ LYS 103 -5.394 -15.788 -17.229 833 H GLY 104 H GLY 104 1.037 -12.437 -20.752 834 1HA GLY 104 1HA GLY 104 1.610 -12.255 -23.038 835 2HA GLY 104 2HA GLY 104 0.031 -11.527 -23.338 836 H ASN 105 H ASN 105 -0.111 -9.302 -23.464 837 HA ASN 105 HA ASN 105 2.411 -7.766 -22.917 838 1HB ASN 105 1HB ASN 105 0.319 -7.616 -25.097 839 2HB ASN 105 2HB ASN 105 1.465 -6.305 -24.811 840 1HD2 ASN 105 2HD2 ASN 105 1.063 -8.902 -26.788 841 2HD2 ASN 105 1HD2 ASN 105 2.684 -9.335 -27.047 842 H GLU 106 H GLU 106 -0.456 -8.305 -21.552 843 HA GLU 106 HA GLU 106 -0.956 -5.414 -20.909 844 1HB GLU 106 1HB GLU 106 -2.789 -7.827 -21.060 845 2HB GLU 106 2HB GLU 106 -3.297 -6.250 -20.455 846 1HG GLU 106 1HG GLU 106 -2.755 -5.212 -22.601 847 2HG GLU 106 2HG GLU 106 -2.144 -6.749 -23.214 848 H MET 107 H MET 107 -1.599 -5.005 -18.658 849 HA MET 107 HA MET 107 -0.762 -7.165 -16.750 850 1HB MET 107 1HB MET 107 0.322 -4.527 -17.297 851 2HB MET 107 2HB MET 107 -0.189 -4.654 -15.614 852 1HG MET 107 1HG MET 107 1.042 -6.998 -15.762 853 2HG MET 107 2HG MET 107 1.907 -6.211 -17.081 854 1HE MET 107 1HE MET 107 3.560 -7.145 -15.618 855 2HE MET 107 2HE MET 107 4.641 -5.936 -14.928 856 3HE MET 107 3HE MET 107 3.601 -6.904 -13.873 857 H VAL 108 H VAL 108 -2.103 -7.385 -14.950 858 HA VAL 108 HA VAL 108 -4.367 -5.427 -14.705 859 HB VAL 108 HB VAL 108 -4.290 -8.435 -14.301 860 1HG1 VAL 108 1HG1 VAL 108 -6.292 -6.323 -13.657 861 2HG1 VAL 108 2HG1 VAL 108 -6.905 -7.826 -14.344 862 3HG1 VAL 108 3HG1 VAL 108 -5.977 -7.856 -12.846 863 1HG2 VAL 108 1HG2 VAL 108 -4.329 -7.179 -16.675 864 2HG2 VAL 108 2HG2 VAL 108 -5.257 -8.650 -16.383 865 3HG2 VAL 108 3HG2 VAL 108 -6.048 -7.077 -16.293 866 H GLU 109 H GLU 109 -4.321 -4.394 -12.751 867 HA GLU 109 HA GLU 109 -2.872 -5.707 -10.481 868 1HB GLU 109 1HB GLU 109 -3.454 -2.856 -11.298 869 2HB GLU 109 2HB GLU 109 -2.891 -3.251 -9.674 870 1HG GLU 109 1HG GLU 109 -0.850 -4.181 -10.503 871 2HG GLU 109 2HG GLU 109 -1.445 -4.177 -12.163 872 H THR 110 H THR 110 -4.207 -6.539 -8.925 873 HA THR 110 HA THR 110 -6.948 -5.362 -8.624 874 HB THR 110 HB THR 110 -5.901 -8.081 -7.779 875 HG1 THR 110 HG1 THR 110 -5.937 -8.503 -9.820 876 1HG2 THR 110 1HG2 THR 110 -8.507 -8.448 -8.180 877 2HG2 THR 110 2HG2 THR 110 -7.897 -7.832 -6.644 878 3HG2 THR 110 3HG2 THR 110 -8.559 -6.718 -7.841 879 H ILE 111 H ILE 111 -7.074 -4.054 -6.842 880 HA ILE 111 HA ILE 111 -5.492 -4.827 -4.411 881 HB ILE 111 HB ILE 111 -6.262 -2.083 -5.457 882 1HG1 ILE 111 1HG1 ILE 111 -3.570 -3.486 -5.368 883 2HG1 ILE 111 2HG1 ILE 111 -4.537 -3.244 -6.823 884 1HG2 ILE 111 1HG2 ILE 111 -6.064 -2.293 -2.964 885 2HG2 ILE 111 2HG2 ILE 111 -4.408 -2.857 -3.185 886 3HG2 ILE 111 3HG2 ILE 111 -4.856 -1.222 -3.671 887 1HD1 ILE 111 1HD1 ILE 111 -3.446 -1.039 -5.048 888 2HD1 ILE 111 2HD1 ILE 111 -2.800 -1.502 -6.623 889 3HD1 ILE 111 3HD1 ILE 111 -4.414 -0.800 -6.504 890 H THR 112 H THR 112 -6.761 -5.224 -2.640 891 HA THR 112 HA THR 112 -9.618 -4.330 -2.727 892 HB THR 112 HB THR 112 -8.242 -6.493 -1.099 893 HG1 THR 112 HG1 THR 112 -9.810 -6.666 -3.455 894 1HG2 THR 112 1HG2 THR 112 -11.173 -5.957 -1.658 895 2HG2 THR 112 2HG2 THR 112 -10.530 -7.291 -0.702 896 3HG2 THR 112 3HG2 THR 112 -10.352 -5.633 -0.131 897 H PHE 113 H PHE 113 -10.351 -2.943 -1.134 898 HA PHE 113 HA PHE 113 -8.896 -2.651 1.413 899 1HB PHE 113 1HB PHE 113 -7.676 -1.300 -0.342 900 2HB PHE 113 2HB PHE 113 -9.140 -0.334 -0.528 901 HD1 PHE 113 HD1 PHE 113 -10.143 0.699 1.649 902 HD2 PHE 113 HD2 PHE 113 -6.106 -0.726 1.303 903 HE1 PHE 113 HE1 PHE 113 -9.491 2.071 3.610 904 HE2 PHE 113 HE2 PHE 113 -5.453 0.645 3.264 905 HZ PHE 113 HZ PHE 113 -7.146 2.044 4.416 906 H GLY 114 H GLY 114 -10.450 -2.285 2.947 907 1HA GLY 114 1HA GLY 114 -12.452 -1.560 3.936 908 2HA GLY 114 2HA GLY 114 -12.568 -0.368 2.641 909 H GLY 115 H GLY 115 -12.420 -3.886 2.230 910 1HA GLY 115 1HA GLY 115 -14.020 -5.388 1.385 911 2HA GLY 115 2HA GLY 115 -15.263 -4.222 1.842 912 H VAL 116 H VAL 116 -12.912 -2.728 -0.047 913 HA VAL 116 HA VAL 116 -14.666 -2.970 -2.466 914 HB VAL 116 HB VAL 116 -12.735 -0.807 -1.562 915 1HG1 VAL 116 1HG1 VAL 116 -14.567 -1.104 -3.942 916 2HG1 VAL 116 2HG1 VAL 116 -14.082 0.486 -3.353 917 3HG1 VAL 116 3HG1 VAL 116 -12.861 -0.655 -3.919 918 1HG2 VAL 116 1HG2 VAL 116 -14.884 -1.176 -0.215 919 2HG2 VAL 116 2HG2 VAL 116 -14.657 0.439 -0.885 920 3HG2 VAL 116 3HG2 VAL 116 -15.757 -0.695 -1.670 921 H THR 117 H THR 117 -13.721 -3.623 -4.400 922 HA THR 117 HA THR 117 -10.781 -4.223 -4.329 923 HB THR 117 HB THR 117 -13.039 -5.582 -5.839 924 HG1 THR 117 HG1 THR 117 -13.036 -7.031 -4.245 925 1HG2 THR 117 1HG2 THR 117 -11.180 -7.386 -5.987 926 2HG2 THR 117 2HG2 THR 117 -11.069 -5.990 -7.061 927 3HG2 THR 117 3HG2 THR 117 -10.075 -6.065 -5.606 928 H LEU 118 H LEU 118 -9.567 -3.239 -5.912 929 HA LEU 118 HA LEU 118 -11.036 -1.803 -8.095 930 1HB LEU 118 1HB LEU 118 -9.793 -0.397 -6.524 931 2HB LEU 118 2HB LEU 118 -8.337 -1.360 -6.777 932 HG LEU 118 HG LEU 118 -8.351 -0.720 -9.174 933 1HD1 LEU 118 1HD1 LEU 118 -10.688 1.017 -8.319 934 2HD1 LEU 118 2HD1 LEU 118 -9.879 1.113 -9.883 935 3HD1 LEU 118 3HD1 LEU 118 -10.759 -0.348 -9.434 936 1HD2 LEU 118 1HD2 LEU 118 -7.146 0.629 -7.401 937 2HD2 LEU 118 2HD2 LEU 118 -7.573 1.545 -8.847 938 3HD2 LEU 118 3HD2 LEU 118 -8.534 1.717 -7.378 939 H ILE 119 H ILE 119 -10.237 -2.011 -10.248 940 HA ILE 119 HA ILE 119 -8.171 -4.149 -10.663 941 HB ILE 119 HB ILE 119 -10.765 -3.626 -12.153 942 1HG1 ILE 119 1HG1 ILE 119 -9.923 -6.004 -10.467 943 2HG1 ILE 119 2HG1 ILE 119 -10.943 -4.692 -9.874 944 1HG2 ILE 119 1HG2 ILE 119 -8.734 -4.486 -13.482 945 2HG2 ILE 119 2HG2 ILE 119 -8.881 -5.959 -12.520 946 3HG2 ILE 119 3HG2 ILE 119 -10.208 -5.452 -13.565 947 1HD1 ILE 119 1HD1 ILE 119 -11.574 -6.473 -12.246 948 2HD1 ILE 119 2HD1 ILE 119 -12.315 -6.592 -10.650 949 3HD1 ILE 119 3HD1 ILE 119 -12.591 -5.163 -11.647 950 H ARG 120 H ARG 120 -6.475 -2.723 -11.227 951 HA ARG 120 HA ARG 120 -6.982 -0.651 -13.298 952 1HB ARG 120 1HB ARG 120 -4.638 -1.379 -11.516 953 2HB ARG 120 2HB ARG 120 -4.602 -0.053 -12.679 954 1HG ARG 120 1HG ARG 120 -6.931 0.490 -11.379 955 2HG ARG 120 2HG ARG 120 -5.994 -0.240 -10.074 956 1HD ARG 120 1HD ARG 120 -4.975 2.017 -11.838 957 2HD ARG 120 2HD ARG 120 -5.652 2.239 -10.212 958 HE ARG 120 HE ARG 120 -3.816 0.399 -9.628 959 1HH1 ARG 120 1HH1 ARG 120 -3.475 3.584 -10.183 960 2HH1 ARG 120 2HH1 ARG 120 -1.836 3.544 -10.744 961 1HH2 ARG 120 1HH2 ARG 120 -1.752 0.093 -11.067 962 2HH2 ARG 120 2HH2 ARG 120 -0.861 1.567 -11.244 963 H ARG 121 H ARG 121 -6.463 -1.041 -15.417 964 HA ARG 121 HA ARG 121 -4.881 -3.496 -16.056 965 1HB ARG 121 1HB ARG 121 -6.956 -1.806 -17.446 966 2HB ARG 121 2HB ARG 121 -5.939 -2.909 -18.374 967 1HG ARG 121 1HG ARG 121 -6.631 -4.721 -16.702 968 2HG ARG 121 2HG ARG 121 -7.866 -3.591 -16.147 969 1HD ARG 121 1HD ARG 121 -8.400 -3.417 -18.753 970 2HD ARG 121 2HD ARG 121 -7.667 -5.034 -18.763 971 HE ARG 121 HE ARG 121 -9.295 -5.565 -16.856 972 1HH1 ARG 121 1HH1 ARG 121 -10.448 -2.798 -16.668 973 2HH1 ARG 121 2HH1 ARG 121 -11.906 -2.952 -17.589 974 1HH2 ARG 121 1HH2 ARG 121 -10.932 -5.899 -19.134 975 2HH2 ARG 121 2HH2 ARG 121 -12.180 -4.708 -18.985 976 H SER 122 H SER 122 -2.828 -3.230 -16.842 977 HA SER 122 HA SER 122 -2.086 -0.547 -17.968 978 1HB SER 122 1HB SER 122 -0.545 -2.486 -16.219 979 2HB SER 122 2HB SER 122 0.163 -1.047 -16.948 980 HG SER 122 HG SER 122 -0.516 -0.358 -15.006 981 H LYS 123 H LYS 123 -0.455 -0.624 -19.667 982 HA LYS 123 HA LYS 123 -0.261 -3.304 -21.009 983 1HB LYS 123 1HB LYS 123 -1.004 -0.577 -21.876 984 2HB LYS 123 2HB LYS 123 0.090 -1.422 -22.972 985 1HG LYS 123 1HG LYS 123 -1.447 -3.351 -23.027 986 2HG LYS 123 2HG LYS 123 -2.544 -2.509 -21.932 987 1HD LYS 123 1HD LYS 123 -2.791 -0.689 -23.597 988 2HD LYS 123 2HD LYS 123 -1.732 -1.570 -24.699 989 1HE LYS 123 1HE LYS 123 -3.311 -3.417 -24.839 990 2HE LYS 123 2HE LYS 123 -4.340 -2.674 -23.597 991 1HZ LYS 123 1HZ LYS 123 -4.471 -0.683 -25.043 992 2HZ LYS 123 2HZ LYS 123 -3.666 -1.549 -26.262 993 3HZ LYS 123 3HZ LYS 123 -5.194 -2.058 -25.731 994 H ARG 124 H ARG 124 1.773 -3.794 -22.008 995 HA ARG 124 HA ARG 124 4.106 -2.636 -20.705 996 1HB ARG 124 1HB ARG 124 3.815 -5.029 -21.353 997 2HB ARG 124 2HB ARG 124 3.838 -4.547 -23.050 998 1HG ARG 124 1HG ARG 124 6.102 -3.627 -22.775 999 2HG ARG 124 2HG ARG 124 6.084 -4.072 -21.068 1000 1HD ARG 124 1HD ARG 124 5.832 -6.461 -21.698 1001 2HD ARG 124 2HD ARG 124 5.902 -6.002 -23.411 1002 HE ARG 124 HE ARG 124 8.154 -4.826 -22.555 1003 1HH1 ARG 124 1HH1 ARG 124 7.593 -7.901 -23.385 1004 2HH1 ARG 124 2HH1 ARG 124 8.766 -8.644 -22.350 1005 1HH2 ARG 124 1HH2 ARG 124 9.341 -5.770 -20.496 1006 2HH2 ARG 124 2HH2 ARG 124 9.756 -7.438 -20.714 1007 H VAL 125 HN VAL 125 5.534 -1.127 -21.556 1008 HA VAL 125 HA VAL 125 5.161 -0.280 -24.401 1009 HB VAL 125 HB VAL 125 3.860 1.183 -22.894 1010 1HG1 VAL 125 1HG1 VAL 125 5.296 0.738 -20.880 1011 2HG1 VAL 125 2HG1 VAL 125 6.526 1.789 -21.581 1012 3HG1 VAL 125 3HG1 VAL 125 4.953 2.450 -21.134 1013 1HG2 VAL 125 1HG2 VAL 125 5.446 2.002 -24.882 1014 2HG2 VAL 125 2HG2 VAL 125 4.557 3.155 -23.887 1015 3HG2 VAL 125 3HG2 VAL 125 6.262 2.839 -23.561 1016 1H1 JN3 130 1H1 JN3 130 -3.669 1.926 -7.056 1017 2H1 JN3 130 2H1 JN3 130 -3.100 3.201 -8.186 1018 1H2 JN3 130 1H2 JN3 130 -0.919 3.144 -7.174 1019 2H2 JN3 130 2H2 JN3 130 -1.412 1.517 -7.783 1020 H3 JN3 130 H3 JN3 130 -2.129 0.845 -5.415 1021 HO3 JN3 130 HO3 JN3 130 -0.078 0.689 -4.437 1022 1H4 JN3 130 1H4 JN3 130 -1.146 3.621 -4.610 1023 2H4 JN3 130 2H4 JN3 130 -1.737 2.370 -3.500 1024 H5 JN3 130 H5 JN3 130 -4.040 2.447 -4.703 1025 1H6 JN3 130 1H6 JN3 130 -3.718 3.928 -2.697 1026 2H6 JN3 130 2H6 JN3 130 -4.816 4.614 -3.884 1027 H7 JN3 130 H7 JN3 130 -3.215 6.312 -3.001 1028 HO7 JN3 130 HO7 JN3 130 -1.435 4.732 -2.712 1029 H8 JN3 130 H8 JN3 130 -4.109 6.571 -5.283 1030 H9 JN3 130 H9 JN3 130 -1.479 5.023 -6.135 1031 1H11 JN3 130 1H11 JN3 130 -3.714 6.238 -7.891 1032 2H11 JN3 130 2H11 JN3 130 -2.382 5.260 -8.511 1033 1H12 JN3 130 1H12 JN3 130 -1.828 7.654 -8.809 1034 2H12 JN3 130 2H12 JN3 130 -0.742 6.985 -7.589 1035 H14 JN3 130 H14 JN3 130 -1.102 7.422 -5.129 1036 1H15 JN3 130 1H15 JN3 130 -2.093 8.664 -3.364 1037 2H15 JN3 130 2H15 JN3 130 -3.591 8.922 -4.253 1038 1H16 JN3 130 1H16 JN3 130 -1.037 10.377 -4.474 1039 2H16 JN3 130 2H16 JN3 130 -2.638 10.797 -5.184 1040 H17 JN3 130 H17 JN3 130 -0.320 9.249 -6.482 1041 1H18 JN3 130 1H18 JN3 130 -4.162 9.496 -6.335 1042 2H18 JN3 130 2H18 JN3 130 -3.958 9.138 -8.066 1043 3H18 JN3 130 3H18 JN3 130 -4.489 7.858 -6.950 1044 1H19 JN3 130 1H19 JN3 130 -5.307 4.914 -5.823 1045 2H19 JN3 130 2H19 JN3 130 -5.049 4.504 -7.536 1046 3H19 JN3 130 3H19 JN3 130 -5.538 3.240 -6.382 1047 H20 JN3 130 H20 JN3 130 -2.316 11.207 -7.625 1048 1H21 JN3 130 1H21 JN3 130 -1.113 11.256 -9.669 1049 2H21 JN3 130 2H21 JN3 130 -0.130 9.868 -9.145 1050 3H21 JN3 130 3H21 JN3 130 -1.882 9.675 -9.394 1051 1H22 JN3 130 1H22 JN3 130 0.695 11.472 -7.597 1052 2H22 JN3 130 2H22 JN3 130 -0.280 11.868 -6.140 1053 1H23 JN3 130 1H23 JN3 130 -1.078 13.215 -8.692 1054 2H23 JN3 130 2H23 JN3 130 0.429 13.731 -7.977 1055 1H1 JN3 131 1H1 JN3 131 5.033 -4.814 -4.587 1056 2H1 JN3 131 2H1 JN3 131 3.400 -4.839 -3.838 1057 1H2 JN3 131 1H2 JN3 131 2.493 -3.688 -5.746 1058 2H2 JN3 131 2H2 JN3 131 3.318 -5.222 -6.224 1059 H3 JN3 131 H3 JN3 131 5.412 -3.896 -6.877 1060 HO3 JN3 131 HO3 JN3 131 3.961 -2.217 -8.378 1061 1H4 JN3 131 1H4 JN3 131 3.785 -1.436 -6.086 1062 2H4 JN3 131 2H4 JN3 131 5.410 -1.416 -6.798 1063 H5 JN3 131 H5 JN3 131 6.287 -2.728 -4.732 1064 1H6 JN3 131 1H6 JN3 131 6.403 -0.218 -4.659 1065 2H6 JN3 131 2H6 JN3 131 6.164 -0.938 -3.075 1066 H7 JN3 131 H7 JN3 131 4.703 1.053 -3.428 1067 HO7 JN3 131 HO7 JN3 131 3.786 1.292 -5.332 1068 H8 JN3 131 H8 JN3 131 3.951 -0.740 -1.913 1069 H9 JN3 131 H9 JN3 131 2.489 -1.858 -4.493 1070 1H11 JN3 131 1H11 JN3 131 2.448 -2.911 -1.587 1071 2H11 JN3 131 2H11 JN3 131 1.704 -3.738 -2.956 1072 1H12 JN3 131 1H12 JN3 131 -0.034 -2.446 -1.757 1073 2H12 JN3 131 2H12 JN3 131 0.223 -1.693 -3.333 1074 H14 JN3 131 H14 JN3 131 1.568 0.428 -3.571 1075 1H15 JN3 131 1H15 JN3 131 2.568 2.371 -2.638 1076 2H15 JN3 131 2H15 JN3 131 2.974 1.559 -1.130 1077 1H16 JN3 131 1H16 JN3 131 0.396 2.712 -1.969 1078 2H16 JN3 131 2H16 JN3 131 0.888 2.119 -0.342 1079 H17 JN3 131 H17 JN3 131 -0.605 0.596 -2.558 1080 1H18 JN3 131 1H18 JN3 131 1.955 0.167 0.289 1081 2H18 JN3 131 2H18 JN3 131 1.066 -1.365 0.461 1082 3H18 JN3 131 3H18 JN3 131 2.668 -1.348 -0.314 1083 1H19 JN3 131 1H19 JN3 131 5.304 -2.367 -1.929 1084 2H19 JN3 131 2H19 JN3 131 4.415 -3.906 -1.835 1085 3H19 JN3 131 3H19 JN3 131 6.001 -3.842 -2.640 1086 H20 JN3 131 H20 JN3 131 -0.824 0.107 0.411 1087 1H21 JN3 131 1H21 JN3 131 -3.044 -0.625 0.010 1088 2H21 JN3 131 2H21 JN3 131 -2.814 -0.420 -1.743 1089 3H21 JN3 131 3H21 JN3 131 -1.854 -1.626 -0.854 1090 1H22 JN3 131 1H22 JN3 131 -3.061 1.607 -0.428 1091 2H22 JN3 131 2H22 JN3 131 -1.626 2.442 -1.117 1092 1H23 JN3 131 1H23 JN3 131 -0.694 2.705 1.154 1093 2H23 JN3 131 2H23 JN3 131 -2.043 1.838 1.845 Start of MODEL 8 1 1H ALA 1 1H ALA 1 7.381 -9.683 -19.854 2 2H ALA 1 2H ALA 1 5.987 -10.513 -19.352 3 3H ALA 1 3H ALA 1 7.378 -11.379 -19.803 4 HA ALA 1 HA ALA 1 7.166 -11.340 -17.389 5 1HB ALA 1 1HB ALA 1 9.337 -11.221 -18.772 6 2HB ALA 1 2HB ALA 1 9.389 -9.515 -18.326 7 3HB ALA 1 3HB ALA 1 9.458 -10.756 -17.075 8 H PHE 2 H PHE 2 7.798 -9.746 -15.500 9 HA PHE 2 HA PHE 2 5.853 -7.566 -15.520 10 1HB PHE 2 1HB PHE 2 7.897 -8.652 -13.568 11 2HB PHE 2 2HB PHE 2 6.855 -7.284 -13.178 12 HD1 PHE 2 HD1 PHE 2 6.973 -10.898 -13.869 13 HD2 PHE 2 HD2 PHE 2 4.443 -7.564 -12.908 14 HE1 PHE 2 HE1 PHE 2 5.132 -12.460 -13.299 15 HE2 PHE 2 HE2 PHE 2 2.601 -9.124 -12.339 16 HZ PHE 2 HZ PHE 2 2.946 -11.572 -12.534 17 H SER 3 H SER 3 9.370 -7.865 -15.765 18 HA SER 3 HA SER 3 10.151 -5.191 -15.270 19 1HB SER 3 1HB SER 3 12.140 -5.834 -16.492 20 2HB SER 3 2HB SER 3 11.564 -7.259 -15.634 21 HG SER 3 HG SER 3 11.044 -8.164 -17.479 22 H GLY 4 H GLY 4 10.271 -3.350 -16.613 23 1HA GLY 4 1HA GLY 4 10.222 -2.592 -19.060 24 2HA GLY 4 2HA GLY 4 8.742 -3.545 -19.177 25 H THR 5 H THR 5 8.084 -1.190 -19.869 26 HA THR 5 HA THR 5 7.332 0.400 -17.443 27 HB THR 5 HB THR 5 7.513 1.142 -20.383 28 HG1 THR 5 HG1 THR 5 9.535 1.358 -19.946 29 1HG2 THR 5 1HG2 THR 5 7.345 3.463 -19.528 30 2HG2 THR 5 2HG2 THR 5 5.897 2.524 -19.165 31 3HG2 THR 5 3HG2 THR 5 7.090 2.830 -17.902 32 H TRP 6 H TRP 6 5.177 0.486 -16.923 33 HA TRP 6 HA TRP 6 3.203 -0.461 -18.977 34 1HB TRP 6 1HB TRP 6 3.192 -0.659 -15.946 35 2HB TRP 6 2HB TRP 6 1.931 -1.283 -17.009 36 HD1 TRP 6 HD1 TRP 6 5.301 -2.100 -15.598 37 HE1 TRP 6 HE1 TRP 6 6.093 -4.383 -16.493 38 HE3 TRP 6 HE3 TRP 6 1.806 -2.883 -19.238 39 HZ2 TRP 6 HZ2 TRP 6 5.345 -6.291 -18.489 40 HZ3 TRP 6 HZ3 TRP 6 1.868 -4.940 -20.619 41 HH2 TRP 6 HH2 TRP 6 3.632 -6.642 -20.250 42 H GLN 7 H GLN 7 1.293 0.772 -19.202 43 HA GLN 7 HA GLN 7 1.152 3.303 -17.596 44 1HB GLN 7 1HB GLN 7 2.036 3.660 -19.871 45 2HB GLN 7 2HB GLN 7 0.629 2.843 -20.552 46 1HG GLN 7 1HG GLN 7 -0.841 4.565 -19.533 47 2HG GLN 7 2HG GLN 7 0.587 5.399 -18.920 48 1HE2 GLN 7 2HE2 GLN 7 -1.245 4.649 -21.854 49 2HE2 GLN 7 1HE2 GLN 7 -0.405 5.722 -22.866 50 H VAL 8 H VAL 8 -0.729 3.276 -16.434 51 HA VAL 8 HA VAL 8 -2.885 1.439 -16.869 52 HB VAL 8 HB VAL 8 -2.800 4.104 -15.415 53 1HG1 VAL 8 1HG1 VAL 8 -4.591 1.674 -15.113 54 2HG1 VAL 8 2HG1 VAL 8 -4.573 3.051 -14.012 55 3HG1 VAL 8 3HG1 VAL 8 -5.081 3.269 -15.687 56 1HG2 VAL 8 1HG2 VAL 8 -1.130 2.016 -14.968 57 2HG2 VAL 8 2HG2 VAL 8 -1.723 3.063 -13.677 58 3HG2 VAL 8 3HG2 VAL 8 -2.507 1.513 -13.987 59 H TYR 9 H TYR 9 -4.728 1.633 -18.123 60 HA TYR 9 HA TYR 9 -5.322 4.288 -19.372 61 1HB TYR 9 1HB TYR 9 -5.641 3.056 -21.522 62 2HB TYR 9 2HB TYR 9 -3.985 2.939 -20.926 63 HD1 TYR 9 HD1 TYR 9 -7.275 1.150 -20.749 64 HD2 TYR 9 HD2 TYR 9 -2.992 0.833 -20.693 65 HE1 TYR 9 HE1 TYR 9 -7.458 -1.323 -20.720 66 HE2 TYR 9 HE2 TYR 9 -3.175 -1.639 -20.664 67 HH TYR 9 HH TYR 9 -5.083 -3.350 -21.505 68 H ALA 10 H ALA 10 -6.405 1.281 -18.021 69 HA ALA 10 HA ALA 10 -9.237 2.206 -18.308 70 1HB ALA 10 1HB ALA 10 -8.006 -0.491 -18.917 71 2HB ALA 10 2HB ALA 10 -9.740 -0.284 -18.669 72 3HB ALA 10 3HB ALA 10 -8.935 0.543 -20.003 73 H GLN 11 H GLN 11 -10.350 2.064 -16.381 74 HA GLN 11 HA GLN 11 -9.425 0.170 -14.285 75 1HB GLN 11 1HB GLN 11 -9.459 3.193 -14.128 76 2HB GLN 11 2HB GLN 11 -9.451 2.181 -12.684 77 1HG GLN 11 1HG GLN 11 -7.287 1.498 -13.006 78 2HG GLN 11 2HG GLN 11 -7.435 1.516 -14.764 79 1HE2 GLN 11 2HE2 GLN 11 -7.814 3.935 -15.630 80 2HE2 GLN 11 1HE2 GLN 11 -6.788 5.102 -14.948 81 H GLU 12 H GLU 12 -11.036 0.054 -12.486 82 HA GLU 12 HA GLU 12 -13.744 1.084 -13.253 83 1HB GLU 12 1HB GLU 12 -13.320 -1.302 -13.932 84 2HB GLU 12 2HB GLU 12 -13.065 -1.692 -12.231 85 1HG GLU 12 1HG GLU 12 -15.330 -1.009 -11.679 86 2HG GLU 12 2HG GLU 12 -15.598 -0.440 -13.327 87 H ASN 13 H ASN 13 -15.041 1.667 -11.473 88 HA ASN 13 HA ASN 13 -15.482 2.344 -9.251 89 1HB ASN 13 1HB ASN 13 -14.981 -0.342 -9.353 90 2HB ASN 13 2HB ASN 13 -13.779 0.177 -8.171 91 1HD2 ASN 13 2HD2 ASN 13 -14.652 -0.164 -6.121 92 2HD2 ASN 13 1HD2 ASN 13 -16.235 0.238 -5.660 93 H TYR 14 H TYR 14 -13.107 3.466 -10.580 94 HA TYR 14 HA TYR 14 -10.817 3.492 -8.853 95 1HB TYR 14 1HB TYR 14 -11.255 4.282 -11.321 96 2HB TYR 14 2HB TYR 14 -11.686 5.813 -10.560 97 HD1 TYR 14 HD1 TYR 14 -8.975 3.268 -10.827 98 HD2 TYR 14 HD2 TYR 14 -10.020 7.290 -9.738 99 HE1 TYR 14 HE1 TYR 14 -6.571 3.826 -10.582 100 HE2 TYR 14 HE2 TYR 14 -7.615 7.847 -9.492 101 HH TYR 14 HH TYR 14 -5.159 5.962 -10.708 102 H GLU 15 H GLU 15 -13.539 5.805 -9.175 103 HA GLU 15 HA GLU 15 -12.728 7.592 -7.108 104 1HB GLU 15 1HB GLU 15 -15.407 6.790 -8.276 105 2HB GLU 15 2HB GLU 15 -15.220 8.134 -7.147 106 1HG GLU 15 1HG GLU 15 -13.596 9.194 -8.682 107 2HG GLU 15 2HG GLU 15 -13.809 7.861 -9.817 108 H GLU 16 H GLU 16 -14.973 4.800 -6.986 109 HA GLU 16 HA GLU 16 -15.689 4.940 -4.258 110 1HB GLU 16 1HB GLU 16 -15.303 2.693 -6.242 111 2HB GLU 16 2HB GLU 16 -15.912 2.386 -4.615 112 1HG GLU 16 1HG GLU 16 -17.622 4.268 -5.125 113 2HG GLU 16 2HG GLU 16 -17.170 4.022 -6.813 114 H PHE 17 H PHE 17 -12.922 3.231 -5.758 115 HA PHE 17 HA PHE 17 -11.814 2.025 -3.474 116 1HB PHE 17 1HB PHE 17 -11.147 1.892 -5.934 117 2HB PHE 17 2HB PHE 17 -10.265 3.398 -5.685 118 HD1 PHE 17 HD1 PHE 17 -10.559 -0.127 -4.515 119 HD2 PHE 17 HD2 PHE 17 -8.144 3.424 -4.613 120 HE1 PHE 17 HE1 PHE 17 -8.653 -1.396 -3.562 121 HE2 PHE 17 HE2 PHE 17 -6.238 2.155 -3.659 122 HZ PHE 17 HZ PHE 17 -6.494 -0.255 -3.133 123 H LEU 18 H LEU 18 -10.778 5.184 -4.831 124 HA LEU 18 HA LEU 18 -9.105 6.021 -2.747 125 1HB LEU 18 1HB LEU 18 -10.569 7.140 -4.986 126 2HB LEU 18 2HB LEU 18 -10.528 8.284 -3.644 127 HG LEU 18 HG LEU 18 -8.431 7.649 -5.468 128 1HD1 LEU 18 1HD1 LEU 18 -9.058 9.849 -4.366 129 2HD1 LEU 18 2HD1 LEU 18 -8.276 9.253 -2.903 130 3HD1 LEU 18 3HD1 LEU 18 -7.332 9.488 -4.374 131 1HD2 LEU 18 1HD2 LEU 18 -7.874 6.863 -2.589 132 2HD2 LEU 18 2HD2 LEU 18 -7.850 5.784 -3.983 133 3HD2 LEU 18 3HD2 LEU 18 -6.644 7.062 -3.837 134 H LYS 19 H LYS 19 -12.651 6.319 -2.981 135 HA LYS 19 HA LYS 19 -13.106 7.908 -0.672 136 1HB LYS 19 1HB LYS 19 -14.811 7.420 -2.334 137 2HB LYS 19 2HB LYS 19 -14.702 5.692 -1.995 138 1HG LYS 19 1HG LYS 19 -15.230 7.340 0.386 139 2HG LYS 19 2HG LYS 19 -16.511 7.402 -0.826 140 1HD LYS 19 1HD LYS 19 -15.427 4.703 -0.311 141 2HD LYS 19 2HD LYS 19 -16.280 5.429 1.052 142 1HE LYS 19 1HE LYS 19 -18.253 5.833 -0.354 143 2HE LYS 19 2HE LYS 19 -17.398 5.177 -1.764 144 1HZ LYS 19 1HZ LYS 19 -17.742 3.679 0.775 145 2HZ LYS 19 2HZ LYS 19 -18.807 3.527 -0.540 146 3HZ LYS 19 3HZ LYS 19 -17.180 3.080 -0.712 147 H ALA 20 H ALA 20 -12.634 4.401 -1.015 148 HA ALA 20 HA ALA 20 -13.238 3.796 1.767 149 1HB ALA 20 1HB ALA 20 -12.422 2.461 -0.714 150 2HB ALA 20 2HB ALA 20 -11.690 1.741 0.720 151 3HB ALA 20 3HB ALA 20 -13.445 1.862 0.592 152 H LEU 21 H LEU 21 -10.265 4.371 -0.106 153 HA LEU 21 HA LEU 21 -8.335 3.634 1.827 154 1HB LEU 21 1HB LEU 21 -8.445 4.793 -0.696 155 2HB LEU 21 2HB LEU 21 -7.721 6.059 0.297 156 HG LEU 21 HG LEU 21 -6.111 4.332 1.183 157 1HD1 LEU 21 1HD1 LEU 21 -7.548 2.371 0.588 158 2HD1 LEU 21 2HD1 LEU 21 -7.201 2.679 -1.113 159 3HD1 LEU 21 3HD1 LEU 21 -5.898 2.224 -0.015 160 1HD2 LEU 21 1HD2 LEU 21 -6.250 5.174 -1.696 161 2HD2 LEU 21 2HD2 LEU 21 -5.132 5.696 -0.437 162 3HD2 LEU 21 3HD2 LEU 21 -4.946 4.106 -1.177 163 H ALA 22 H ALA 22 -10.444 6.430 1.687 164 HA ALA 22 HA ALA 22 -10.921 7.898 3.529 165 1HB ALA 22 1HB ALA 22 -9.752 5.964 4.808 166 2HB ALA 22 2HB ALA 22 -8.306 6.968 4.720 167 3HB ALA 22 3HB ALA 22 -9.740 7.560 5.557 168 H LEU 23 H LEU 23 -8.906 8.150 1.130 169 HA LEU 23 HA LEU 23 -6.884 10.041 1.898 170 1HB LEU 23 1HB LEU 23 -8.264 9.145 -0.613 171 2HB LEU 23 2HB LEU 23 -7.216 10.563 -0.681 172 HG LEU 23 HG LEU 23 -6.403 7.840 0.380 173 1HD1 LEU 23 1HD1 LEU 23 -6.544 8.902 -2.291 174 2HD1 LEU 23 2HD1 LEU 23 -4.853 8.674 -1.849 175 3HD1 LEU 23 3HD1 LEU 23 -5.976 7.316 -1.767 176 1HD2 LEU 23 1HD2 LEU 23 -4.986 10.494 0.089 177 2HD2 LEU 23 2HD2 LEU 23 -5.112 9.473 1.522 178 3HD2 LEU 23 3HD2 LEU 23 -4.093 8.975 0.171 179 HA PRO 24 HA PRO 24 -9.113 13.808 2.184 180 1HB PRO 24 1HB PRO 24 -7.469 15.578 0.898 181 2HB PRO 24 2HB PRO 24 -7.087 14.886 2.487 182 1HG PRO 24 1HG PRO 24 -6.056 14.136 -0.200 183 2HG PRO 24 2HG PRO 24 -5.215 14.201 1.355 184 1HD PRO 24 1HD PRO 24 -6.095 11.885 0.198 185 2HD PRO 24 2HD PRO 24 -5.881 12.098 1.950 186 H GLU 25 H GLU 25 -10.832 14.657 1.044 187 HA GLU 25 HA GLU 25 -11.588 13.860 -1.535 188 1HB GLU 25 1HB GLU 25 -12.160 16.396 0.030 189 2HB GLU 25 2HB GLU 25 -13.077 15.891 -1.390 190 1HG GLU 25 1HG GLU 25 -12.717 14.147 1.059 191 2HG GLU 25 2HG GLU 25 -14.103 15.212 0.825 192 H ASP 26 H ASP 26 -9.877 16.865 -0.600 193 HA ASP 26 HA ASP 26 -9.675 18.147 -3.071 194 1HB ASP 26 1HB ASP 26 -8.858 18.902 -0.814 195 2HB ASP 26 2HB ASP 26 -7.478 17.819 -1.004 196 H LEU 27 H LEU 27 -7.757 15.404 -1.869 197 HA LEU 27 HA LEU 27 -6.000 15.358 -4.211 198 1HB LEU 27 1HB LEU 27 -5.170 14.614 -2.078 199 2HB LEU 27 2HB LEU 27 -6.538 13.521 -1.862 200 HG LEU 27 HG LEU 27 -5.786 12.184 -3.790 201 1HD1 LEU 27 1HD1 LEU 27 -4.691 14.156 -4.946 202 2HD1 LEU 27 2HD1 LEU 27 -3.345 13.978 -3.819 203 3HD1 LEU 27 3HD1 LEU 27 -3.730 12.676 -4.945 204 1HD2 LEU 27 1HD2 LEU 27 -3.777 12.742 -1.598 205 2HD2 LEU 27 2HD2 LEU 27 -4.938 11.418 -1.697 206 3HD2 LEU 27 3HD2 LEU 27 -3.543 11.450 -2.776 207 H ILE 28 H ILE 28 -8.869 13.575 -3.092 208 HA ILE 28 HA ILE 28 -8.902 11.508 -5.040 209 HB ILE 28 HB ILE 28 -11.115 13.031 -3.629 210 1HG1 ILE 28 1HG1 ILE 28 -10.127 10.274 -2.951 211 2HG1 ILE 28 2HG1 ILE 28 -9.230 11.683 -2.385 212 1HG2 ILE 28 1HG2 ILE 28 -11.127 10.616 -5.407 213 2HG2 ILE 28 2HG2 ILE 28 -12.249 10.681 -4.049 214 3HG2 ILE 28 3HG2 ILE 28 -12.302 11.926 -5.296 215 1HD1 ILE 28 1HD1 ILE 28 -12.154 11.836 -1.990 216 2HD1 ILE 28 2HD1 ILE 28 -11.342 10.587 -1.046 217 3HD1 ILE 28 3HD1 ILE 28 -10.844 12.271 -0.891 218 H LYS 29 H LYS 29 -10.650 14.645 -5.117 219 HA LYS 29 HA LYS 29 -11.707 14.421 -7.734 220 1HB LYS 29 1HB LYS 29 -10.722 16.873 -6.237 221 2HB LYS 29 2HB LYS 29 -11.904 16.870 -7.547 222 1HG LYS 29 1HG LYS 29 -13.080 15.074 -5.933 223 2HG LYS 29 2HG LYS 29 -12.216 16.008 -4.712 224 1HD LYS 29 1HD LYS 29 -13.193 18.094 -5.826 225 2HD LYS 29 2HD LYS 29 -14.262 17.000 -6.703 226 1HE LYS 29 1HE LYS 29 -15.168 16.131 -4.599 227 2HE LYS 29 2HE LYS 29 -14.038 17.140 -3.674 228 1HZ LYS 29 1HZ LYS 29 -14.966 19.098 -4.768 229 2HZ LYS 29 2HZ LYS 29 -16.076 18.125 -5.604 230 3HZ LYS 29 3HZ LYS 29 -16.168 18.256 -3.913 231 H MET 30 H MET 30 -8.453 15.135 -6.661 232 HA MET 30 HA MET 30 -7.631 16.099 -9.345 233 1HB MET 30 1HB MET 30 -6.277 15.766 -6.654 234 2HB MET 30 2HB MET 30 -5.429 16.343 -8.089 235 1HG MET 30 1HG MET 30 -6.984 18.222 -8.290 236 2HG MET 30 2HG MET 30 -7.915 17.626 -6.917 237 1HE MET 30 1HE MET 30 -7.641 20.099 -6.541 238 2HE MET 30 2HE MET 30 -6.378 20.790 -5.513 239 3HE MET 30 3HE MET 30 -6.151 20.706 -7.258 240 H ALA 31 H ALA 31 -7.688 13.181 -7.478 241 HA ALA 31 HA ALA 31 -5.653 11.904 -9.257 242 1HB ALA 31 1HB ALA 31 -6.708 11.519 -6.496 243 2HB ALA 31 2HB ALA 31 -6.203 10.068 -7.360 244 3HB ALA 31 3HB ALA 31 -5.054 11.378 -7.093 245 H ARG 32 H ARG 32 -9.021 12.203 -8.819 246 HA ARG 32 HA ARG 32 -9.921 9.571 -9.542 247 1HB ARG 32 1HB ARG 32 -12.031 10.764 -9.966 248 2HB ARG 32 2HB ARG 32 -11.274 11.384 -8.499 249 1HG ARG 32 1HG ARG 32 -10.925 13.435 -9.406 250 2HG ARG 32 2HG ARG 32 -10.410 12.761 -10.953 251 1HD ARG 32 1HD ARG 32 -13.210 12.212 -10.627 252 2HD ARG 32 2HD ARG 32 -12.930 13.941 -10.340 253 HE ARG 32 HE ARG 32 -11.390 13.538 -12.535 254 1HH1 ARG 32 1HH1 ARG 32 -13.154 11.047 -12.935 255 2HH1 ARG 32 2HH1 ARG 32 -14.331 11.666 -14.045 256 1HH2 ARG 32 1HH2 ARG 32 -13.526 14.987 -13.460 257 2HH2 ARG 32 2HH2 ARG 32 -14.541 13.896 -14.342 258 H ASP 33 H ASP 33 -8.077 11.709 -11.323 259 HA ASP 33 HA ASP 33 -8.795 10.339 -13.857 260 1HB ASP 33 1HB ASP 33 -9.193 12.448 -14.997 261 2HB ASP 33 2HB ASP 33 -10.222 12.400 -13.566 262 H ILE 34 H ILE 34 -6.448 10.008 -12.352 263 HA ILE 34 HA ILE 34 -4.426 11.484 -14.011 264 HB ILE 34 HB ILE 34 -4.569 10.764 -11.088 265 1HG1 ILE 34 1HG1 ILE 34 -3.776 13.267 -12.612 266 2HG1 ILE 34 2HG1 ILE 34 -5.330 12.994 -11.824 267 1HG2 ILE 34 1HG2 ILE 34 -2.100 11.236 -12.769 268 2HG2 ILE 34 2HG2 ILE 34 -2.119 11.499 -11.025 269 3HG2 ILE 34 3HG2 ILE 34 -2.427 9.890 -11.677 270 1HD1 ILE 34 1HD1 ILE 34 -3.843 12.524 -9.702 271 2HD1 ILE 34 2HD1 ILE 34 -2.635 13.458 -10.584 272 3HD1 ILE 34 3HD1 ILE 34 -4.188 14.186 -10.177 273 H LYS 35 H LYS 35 -3.736 9.944 -15.478 274 HA LYS 35 HA LYS 35 -3.592 7.097 -14.757 275 1HB LYS 35 1HB LYS 35 -3.189 8.834 -17.169 276 2HB LYS 35 2HB LYS 35 -2.531 7.197 -17.188 277 1HG LYS 35 1HG LYS 35 -4.579 6.269 -17.411 278 2HG LYS 35 2HG LYS 35 -5.264 7.294 -16.149 279 1HD LYS 35 1HD LYS 35 -5.151 9.189 -17.913 280 2HD LYS 35 2HD LYS 35 -4.960 7.888 -19.088 281 1HE LYS 35 1HE LYS 35 -7.183 7.678 -17.081 282 2HE LYS 35 2HE LYS 35 -7.387 8.753 -18.478 283 1HZ LYS 35 1HZ LYS 35 -6.502 5.920 -18.629 284 2HZ LYS 35 2HZ LYS 35 -8.074 6.457 -18.969 285 3HZ LYS 35 3HZ LYS 35 -6.778 6.960 -19.945 286 HA PRO 36 HA PRO 36 0.640 8.259 -13.419 287 1HB PRO 36 1HB PRO 36 0.752 6.425 -11.391 288 2HB PRO 36 2HB PRO 36 0.031 8.035 -11.198 289 1HG PRO 36 1HG PRO 36 -1.295 5.406 -11.616 290 2HG PRO 36 2HG PRO 36 -1.787 6.772 -10.603 291 1HD PRO 36 1HD PRO 36 -2.886 6.218 -13.045 292 2HD PRO 36 2HD PRO 36 -2.832 7.844 -12.329 293 H ILE 37 H ILE 37 2.478 7.214 -14.190 294 HA ILE 37 HA ILE 37 2.106 4.617 -15.554 295 HB ILE 37 HB ILE 37 4.441 6.549 -15.357 296 1HG1 ILE 37 1HG1 ILE 37 2.618 6.176 -17.728 297 2HG1 ILE 37 2HG1 ILE 37 2.169 7.275 -16.422 298 1HG2 ILE 37 1HG2 ILE 37 3.933 4.038 -16.936 299 2HG2 ILE 37 2HG2 ILE 37 4.960 5.307 -17.606 300 3HG2 ILE 37 3HG2 ILE 37 5.393 4.535 -16.081 301 1HD1 ILE 37 1HD1 ILE 37 4.347 8.447 -16.697 302 2HD1 ILE 37 2HD1 ILE 37 4.720 7.391 -18.059 303 3HD1 ILE 37 3HD1 ILE 37 3.364 8.515 -18.161 304 H VAL 38 H VAL 38 3.814 2.913 -15.235 305 HA VAL 38 HA VAL 38 5.089 2.958 -12.535 306 HB VAL 38 HB VAL 38 3.190 0.886 -13.675 307 1HG1 VAL 38 1HG1 VAL 38 4.907 0.808 -11.175 308 2HG1 VAL 38 2HG1 VAL 38 3.616 -0.337 -11.537 309 3HG1 VAL 38 3HG1 VAL 38 5.041 -0.260 -12.572 310 1HG2 VAL 38 1HG2 VAL 38 3.045 3.036 -11.636 311 2HG2 VAL 38 2HG2 VAL 38 1.762 2.331 -12.619 312 3HG2 VAL 38 3HG2 VAL 38 2.322 1.496 -11.170 313 H GLU 39 H GLU 39 7.217 2.466 -12.885 314 HA GLU 39 HA GLU 39 7.950 0.830 -15.272 315 1HB GLU 39 1HB GLU 39 8.866 3.186 -14.613 316 2HB GLU 39 2HB GLU 39 9.825 2.302 -13.426 317 1HG GLU 39 1HG GLU 39 10.906 1.008 -15.130 318 2HG GLU 39 2HG GLU 39 9.777 1.573 -16.362 319 H ILE 40 H ILE 40 8.851 -1.199 -15.006 320 HA ILE 40 HA ILE 40 9.451 -2.082 -12.200 321 HB ILE 40 HB ILE 40 8.346 -3.644 -14.558 322 1HG1 ILE 40 1HG1 ILE 40 6.950 -2.762 -12.013 323 2HG1 ILE 40 2HG1 ILE 40 6.807 -1.910 -13.551 324 1HG2 ILE 40 1HG2 ILE 40 8.985 -4.353 -11.691 325 2HG2 ILE 40 2HG2 ILE 40 7.829 -5.287 -12.641 326 3HG2 ILE 40 3HG2 ILE 40 9.510 -5.172 -13.162 327 1HD1 ILE 40 1HD1 ILE 40 6.061 -4.116 -14.573 328 2HD1 ILE 40 2HD1 ILE 40 5.951 -4.746 -12.930 329 3HD1 ILE 40 3HD1 ILE 40 4.930 -3.397 -13.427 330 H GLN 41 H GLN 41 11.527 -2.807 -11.908 331 HA GLN 41 HA GLN 41 13.070 -3.705 -14.318 332 1HB GLN 41 1HB GLN 41 13.661 -1.404 -13.748 333 2HB GLN 41 2HB GLN 41 13.905 -1.856 -12.060 334 1HG GLN 41 1HG GLN 41 15.725 -3.398 -12.756 335 2HG GLN 41 2HG GLN 41 15.509 -2.871 -14.426 336 1HE2 GLN 41 2HE2 GLN 41 17.668 -2.424 -12.100 337 2HE2 GLN 41 1HE2 GLN 41 18.022 -0.773 -12.274 338 H GLN 42 H GLN 42 12.137 -5.784 -13.110 339 HA GLN 42 HA GLN 42 13.390 -6.587 -10.626 340 1HB GLN 42 1HB GLN 42 11.245 -7.458 -11.508 341 2HB GLN 42 2HB GLN 42 12.103 -8.177 -12.872 342 1HG GLN 42 1HG GLN 42 13.534 -9.379 -11.076 343 2HG GLN 42 2HG GLN 42 12.243 -8.937 -9.958 344 1HE2 GLN 42 2HE2 GLN 42 11.340 -11.052 -9.675 345 2HE2 GLN 42 1HE2 GLN 42 10.623 -11.923 -10.943 346 H LYS 43 H LYS 43 14.949 -8.422 -10.472 347 HA LYS 43 HA LYS 43 16.562 -9.066 -12.852 348 1HB LYS 43 1HB LYS 43 18.624 -8.106 -11.728 349 2HB LYS 43 2HB LYS 43 17.454 -6.896 -12.260 350 1HG LYS 43 1HG LYS 43 16.477 -6.953 -9.925 351 2HG LYS 43 2HG LYS 43 17.851 -7.951 -9.449 352 1HD LYS 43 1HD LYS 43 19.374 -6.141 -10.306 353 2HD LYS 43 2HD LYS 43 17.948 -5.132 -10.559 354 1HE LYS 43 1HE LYS 43 18.399 -6.400 -7.863 355 2HE LYS 43 2HE LYS 43 19.254 -4.905 -8.294 356 1HZ LYS 43 1HZ LYS 43 17.144 -3.916 -8.927 357 2HZ LYS 43 2HZ LYS 43 16.321 -5.340 -8.508 358 3HZ LYS 43 3HZ LYS 43 17.092 -4.417 -7.308 359 H GLY 44 H GLY 44 15.108 -10.797 -11.207 360 1HA GLY 44 1HA GLY 44 16.171 -13.031 -10.623 361 2HA GLY 44 2HA GLY 44 17.246 -12.107 -9.572 362 H ASP 45 H ASP 45 16.554 -11.631 -7.511 363 HA ASP 45 HA ASP 45 13.778 -12.507 -6.798 364 1HB ASP 45 1HB ASP 45 16.467 -12.533 -5.448 365 2HB ASP 45 2HB ASP 45 15.002 -12.561 -4.464 366 H ASP 46 H ASP 46 15.520 -9.743 -7.376 367 HA ASP 46 HA ASP 46 14.239 -8.180 -5.174 368 1HB ASP 46 1HB ASP 46 16.397 -7.492 -7.198 369 2HB ASP 46 2HB ASP 46 15.888 -6.466 -5.856 370 H PHE 47 H PHE 47 12.926 -6.350 -5.709 371 HA PHE 47 HA PHE 47 12.106 -6.139 -8.586 372 1HB PHE 47 1HB PHE 47 10.616 -6.839 -6.152 373 2HB PHE 47 2HB PHE 47 9.854 -5.551 -7.086 374 HD1 PHE 47 HD1 PHE 47 10.600 -6.224 -9.843 375 HD2 PHE 47 HD2 PHE 47 9.386 -8.790 -6.619 376 HE1 PHE 47 HE1 PHE 47 9.783 -7.896 -11.482 377 HE2 PHE 47 HE2 PHE 47 8.570 -10.462 -8.259 378 HZ PHE 47 HZ PHE 47 8.767 -10.015 -10.690 379 H VAL 48 H VAL 48 11.992 -4.031 -9.319 380 HA VAL 48 HA VAL 48 12.153 -1.844 -7.268 381 HB VAL 48 HB VAL 48 13.450 -2.061 -10.006 382 1HG1 VAL 48 1HG1 VAL 48 13.240 0.113 -7.959 383 2HG1 VAL 48 2HG1 VAL 48 14.753 -0.052 -8.849 384 3HG1 VAL 48 3HG1 VAL 48 13.245 0.229 -9.718 385 1HG2 VAL 48 1HG2 VAL 48 14.500 -2.382 -7.183 386 2HG2 VAL 48 2HG2 VAL 48 14.581 -3.548 -8.504 387 3HG2 VAL 48 3HG2 VAL 48 15.557 -2.081 -8.562 388 H VAL 49 H VAL 49 10.066 -1.011 -7.332 389 HA VAL 49 HA VAL 49 8.842 -0.508 -10.020 390 HB VAL 49 HB VAL 49 7.662 -0.669 -7.226 391 1HG1 VAL 49 1HG1 VAL 49 6.598 0.178 -9.843 392 2HG1 VAL 49 2HG1 VAL 49 5.612 -1.027 -9.014 393 3HG1 VAL 49 3HG1 VAL 49 5.987 0.504 -8.221 394 1HG2 VAL 49 1HG2 VAL 49 8.596 -2.736 -8.761 395 2HG2 VAL 49 2HG2 VAL 49 7.278 -2.886 -7.600 396 3HG2 VAL 49 3HG2 VAL 49 6.923 -2.632 -9.309 397 H THR 50 H THR 50 8.482 1.608 -10.635 398 HA THR 50 HA THR 50 8.802 3.748 -8.560 399 HB THR 50 HB THR 50 9.945 3.610 -11.370 400 HG1 THR 50 HG1 THR 50 11.650 2.892 -10.407 401 1HG2 THR 50 1HG2 THR 50 11.173 5.717 -10.268 402 2HG2 THR 50 2HG2 THR 50 9.649 5.880 -11.140 403 3HG2 THR 50 3HG2 THR 50 9.654 5.808 -9.378 404 H SER 51 H SER 51 6.726 4.575 -8.465 405 HA SER 51 HA SER 51 5.079 4.772 -10.915 406 1HB SER 51 1HB SER 51 4.642 5.406 -7.983 407 2HB SER 51 2HB SER 51 3.396 5.576 -9.215 408 HG SER 51 HG SER 51 3.452 3.400 -9.561 409 H LYS 52 H LYS 52 4.825 6.669 -12.051 410 HA LYS 52 HA LYS 52 5.809 9.205 -10.781 411 1HB LYS 52 1HB LYS 52 6.128 8.196 -13.628 412 2HB LYS 52 2HB LYS 52 6.681 9.766 -13.044 413 1HG LYS 52 1HG LYS 52 8.471 8.873 -11.949 414 2HG LYS 52 2HG LYS 52 7.570 7.446 -11.437 415 1HD LYS 52 1HD LYS 52 9.045 6.511 -12.977 416 2HD LYS 52 2HD LYS 52 7.650 6.845 -14.005 417 1HE LYS 52 1HE LYS 52 8.653 8.865 -14.854 418 2HE LYS 52 2HE LYS 52 9.958 8.787 -13.654 419 1HZ LYS 52 1HZ LYS 52 9.395 6.725 -15.722 420 2HZ LYS 52 2HZ LYS 52 10.659 7.854 -15.789 421 3HZ LYS 52 3HZ LYS 52 10.646 6.668 -14.573 422 H THR 53 H THR 53 4.164 10.677 -10.673 423 HA THR 53 HA THR 53 1.851 10.378 -12.545 424 HB THR 53 HB THR 53 1.051 12.118 -10.621 425 HG1 THR 53 HG1 THR 53 2.000 11.201 -8.665 426 1HG2 THR 53 1HG2 THR 53 0.540 9.812 -9.332 427 2HG2 THR 53 2HG2 THR 53 -0.317 10.287 -10.798 428 3HG2 THR 53 3HG2 THR 53 1.033 9.157 -10.892 429 HA PRO 54 HA PRO 54 2.659 14.248 -14.444 430 1HB PRO 54 1HB PRO 54 0.195 15.433 -14.544 431 2HB PRO 54 2HB PRO 54 0.642 14.047 -15.559 432 1HG PRO 54 1HG PRO 54 -0.975 14.123 -13.062 433 2HG PRO 54 2HG PRO 54 -1.187 13.135 -14.516 434 1HD PRO 54 1HD PRO 54 -0.081 12.205 -12.195 435 2HD PRO 54 2HD PRO 54 0.282 11.537 -13.801 436 H ARG 55 H ARG 55 1.244 14.219 -11.280 437 HA ARG 55 HA ARG 55 1.807 17.128 -10.895 438 1HB ARG 55 1HB ARG 55 -0.427 16.197 -10.324 439 2HB ARG 55 2HB ARG 55 0.341 15.091 -9.185 440 1HG ARG 55 1HG ARG 55 1.167 16.952 -7.855 441 2HG ARG 55 2HG ARG 55 0.560 18.111 -9.039 442 1HD ARG 55 1HD ARG 55 -1.741 17.488 -8.564 443 2HD ARG 55 2HD ARG 55 -1.205 16.168 -7.507 444 HE ARG 55 HE ARG 55 -0.672 19.059 -6.930 445 1HH1 ARG 55 1HH1 ARG 55 -2.437 16.458 -5.869 446 2HH1 ARG 55 2HH1 ARG 55 -1.846 16.472 -4.241 447 1HH2 ARG 55 1HH2 ARG 55 0.644 18.798 -4.884 448 2HH2 ARG 55 2HH2 ARG 55 -0.101 17.797 -3.683 449 H GLN 56 H GLN 56 2.902 13.931 -10.024 450 HA GLN 56 HA GLN 56 5.266 15.046 -8.691 451 1HB GLN 56 1HB GLN 56 4.748 14.011 -6.516 452 2HB GLN 56 2HB GLN 56 3.476 15.148 -6.966 453 1HG GLN 56 1HG GLN 56 2.015 13.383 -7.657 454 2HG GLN 56 2HG GLN 56 3.312 12.191 -7.582 455 1HE2 GLN 56 2HE2 GLN 56 3.457 11.029 -5.652 456 2HE2 GLN 56 1HE2 GLN 56 2.747 11.497 -4.183 457 H THR 57 H THR 57 6.767 13.245 -8.035 458 HA THR 57 HA THR 57 6.184 10.689 -9.493 459 HB THR 57 HB THR 57 8.695 10.815 -10.042 460 HG1 THR 57 HG1 THR 57 8.260 13.544 -9.435 461 1HG2 THR 57 1HG2 THR 57 8.171 12.773 -11.756 462 2HG2 THR 57 2HG2 THR 57 7.375 11.206 -11.901 463 3HG2 THR 57 3HG2 THR 57 6.530 12.558 -11.147 464 H VAL 58 H VAL 58 6.520 8.905 -8.216 465 HA VAL 58 HA VAL 58 8.273 9.209 -5.799 466 HB VAL 58 HB VAL 58 5.618 7.765 -6.096 467 1HG1 VAL 58 1HG1 VAL 58 7.207 6.671 -4.522 468 2HG1 VAL 58 2HG1 VAL 58 7.359 8.196 -3.649 469 3HG1 VAL 58 3HG1 VAL 58 5.810 7.354 -3.690 470 1HG2 VAL 58 1HG2 VAL 58 6.415 10.309 -4.647 471 2HG2 VAL 58 2HG2 VAL 58 5.324 10.184 -6.028 472 3HG2 VAL 58 3HG2 VAL 58 4.853 9.511 -4.468 473 H THR 59 H THR 59 9.892 7.700 -5.797 474 HA THR 59 HA THR 59 9.579 5.285 -7.539 475 HB THR 59 HB THR 59 12.031 6.680 -6.415 476 HG1 THR 59 HG1 THR 59 11.964 7.839 -8.159 477 1HG2 THR 59 1HG2 THR 59 12.824 5.194 -8.580 478 2HG2 THR 59 2HG2 THR 59 12.984 4.681 -6.901 479 3HG2 THR 59 3HG2 THR 59 11.600 4.150 -7.856 480 H ASN 60 H ASN 60 9.841 3.238 -6.617 481 HA ASN 60 HA ASN 60 10.607 3.100 -3.727 482 1HB ASN 60 1HB ASN 60 8.213 1.834 -5.102 483 2HB ASN 60 2HB ASN 60 8.676 1.553 -3.422 484 1HD2 ASN 60 2HD2 ASN 60 6.144 2.696 -4.005 485 2HD2 ASN 60 1HD2 ASN 60 6.140 4.316 -3.499 486 H SER 61 H SER 61 11.552 1.062 -3.130 487 HA SER 61 HA SER 61 11.958 -0.949 -5.289 488 1HB SER 61 1HB SER 61 14.120 0.560 -3.789 489 2HB SER 61 2HB SER 61 14.426 -0.846 -4.805 490 HG SER 61 HG SER 61 13.389 1.687 -5.540 491 H PHE 62 H PHE 62 11.851 -2.993 -4.419 492 HA PHE 62 HA PHE 62 12.581 -3.401 -1.559 493 1HB PHE 62 1HB PHE 62 10.393 -4.589 -1.254 494 2HB PHE 62 2HB PHE 62 10.195 -2.871 -1.602 495 HD1 PHE 62 HD1 PHE 62 10.012 -6.283 -3.043 496 HD2 PHE 62 HD2 PHE 62 9.190 -2.111 -3.650 497 HE1 PHE 62 HE1 PHE 62 8.650 -6.842 -5.039 498 HE2 PHE 62 HE2 PHE 62 7.828 -2.670 -5.646 499 HZ PHE 62 HZ PHE 62 7.558 -5.035 -6.340 500 H THR 63 H THR 63 12.539 -5.843 -1.072 501 HA THR 63 HA THR 63 13.423 -7.357 -3.507 502 HB THR 63 HB THR 63 14.224 -7.631 -0.591 503 HG1 THR 63 HG1 THR 63 16.120 -6.642 -1.275 504 1HG2 THR 63 1HG2 THR 63 16.171 -8.861 -1.973 505 2HG2 THR 63 2HG2 THR 63 14.737 -9.715 -1.403 506 3HG2 THR 63 3HG2 THR 63 14.825 -9.157 -3.074 507 H LEU 64 H LEU 64 12.682 -9.526 -3.707 508 HA LEU 64 HA LEU 64 10.129 -10.114 -2.398 509 1HB LEU 64 1HB LEU 64 11.925 -11.530 -4.389 510 2HB LEU 64 2HB LEU 64 10.369 -12.181 -3.870 511 HG LEU 64 HG LEU 64 10.444 -9.344 -4.804 512 1HD1 LEU 64 1HD1 LEU 64 11.420 -11.524 -6.394 513 2HD1 LEU 64 2HD1 LEU 64 9.869 -10.999 -7.049 514 3HD1 LEU 64 3HD1 LEU 64 11.186 -9.841 -6.869 515 1HD2 LEU 64 1HD2 LEU 64 8.423 -10.678 -3.900 516 2HD2 LEU 64 2HD2 LEU 64 8.195 -9.799 -5.412 517 3HD2 LEU 64 3HD2 LEU 64 8.468 -11.540 -5.437 518 H GLY 65 H GLY 65 9.968 -11.209 -0.484 519 1HA GLY 65 1HA GLY 65 10.434 -13.178 0.875 520 2HA GLY 65 2HA GLY 65 12.054 -13.230 0.178 521 H LYS 66 H LYS 66 11.244 -10.050 0.865 522 HA LYS 66 HA LYS 66 12.236 -10.162 3.672 523 1HB LYS 66 1HB LYS 66 14.112 -10.017 1.928 524 2HB LYS 66 2HB LYS 66 13.494 -8.409 1.550 525 1HG LYS 66 1HG LYS 66 13.840 -7.687 3.852 526 2HG LYS 66 2HG LYS 66 14.341 -9.313 4.317 527 1HD LYS 66 1HD LYS 66 16.402 -8.268 3.984 528 2HD LYS 66 2HD LYS 66 16.121 -9.007 2.407 529 1HE LYS 66 1HE LYS 66 15.909 -6.984 1.377 530 2HE LYS 66 2HE LYS 66 14.932 -6.318 2.700 531 1HZ LYS 66 1HZ LYS 66 17.857 -6.827 2.854 532 2HZ LYS 66 2HZ LYS 66 17.164 -5.303 2.565 533 3HZ LYS 66 3HZ LYS 66 16.893 -6.089 4.043 534 H GLU 67 H GLU 67 11.624 -8.303 4.885 535 HA GLU 67 HA GLU 67 9.296 -6.861 3.942 536 1HB GLU 67 1HB GLU 67 9.807 -7.535 6.298 537 2HB GLU 67 2HB GLU 67 11.123 -6.361 6.313 538 1HG GLU 67 1HG GLU 67 9.518 -4.546 5.853 539 2HG GLU 67 2HG GLU 67 8.199 -5.716 5.834 540 H ALA 68 H ALA 68 9.314 -5.028 2.703 541 HA ALA 68 HA ALA 68 11.798 -3.341 2.712 542 1HB ALA 68 1HB ALA 68 10.927 -4.839 0.667 543 2HB ALA 68 2HB ALA 68 9.920 -3.418 0.387 544 3HB ALA 68 3HB ALA 68 11.677 -3.265 0.401 545 H ASP 69 H ASP 69 11.450 -1.054 2.622 546 HA ASP 69 HA ASP 69 8.887 -0.157 3.755 547 1HB ASP 69 1HB ASP 69 11.450 1.266 2.962 548 2HB ASP 69 2HB ASP 69 10.134 1.999 3.879 549 H ILE 70 H ILE 70 7.269 0.829 2.585 550 HA ILE 70 HA ILE 70 7.884 1.650 -0.236 551 HB ILE 70 HB ILE 70 5.667 0.030 0.998 552 1HG1 ILE 70 1HG1 ILE 70 7.573 -1.134 -0.028 553 2HG1 ILE 70 2HG1 ILE 70 6.121 -1.381 -0.997 554 1HG2 ILE 70 1HG2 ILE 70 4.663 1.967 -0.268 555 2HG2 ILE 70 2HG2 ILE 70 5.508 1.394 -1.705 556 3HG2 ILE 70 3HG2 ILE 70 4.273 0.387 -0.949 557 1HD1 ILE 70 1HD1 ILE 70 6.911 0.697 -2.331 558 2HD1 ILE 70 2HD1 ILE 70 8.474 0.414 -1.566 559 3HD1 ILE 70 3HD1 ILE 70 7.760 -0.824 -2.598 560 H THR 71 H THR 71 6.850 3.569 -0.935 561 HA THR 71 HA THR 71 5.367 5.088 1.189 562 HB THR 71 HB THR 71 7.625 5.942 0.771 563 HG1 THR 71 HG1 THR 71 7.022 8.000 0.406 564 1HG2 THR 71 1HG2 THR 71 7.386 6.905 -1.899 565 2HG2 THR 71 2HG2 THR 71 8.538 5.727 -1.270 566 3HG2 THR 71 3HG2 THR 71 6.989 5.187 -1.917 567 H THR 72 H THR 72 3.382 5.899 0.568 568 HA THR 72 HA THR 72 2.359 5.217 -2.107 569 HB THR 72 HB THR 72 0.648 6.846 -0.409 570 HG1 THR 72 HG1 THR 72 1.847 4.542 0.728 571 1HG2 THR 72 1HG2 THR 72 -0.203 4.179 -0.396 572 2HG2 THR 72 2HG2 THR 72 -0.723 5.442 -1.512 573 3HG2 THR 72 3HG2 THR 72 0.620 4.381 -1.943 574 H MET 73 H MET 73 1.469 6.827 -3.565 575 HA MET 73 HA MET 73 3.058 9.211 -3.859 576 1HB MET 73 1HB MET 73 0.964 7.724 -5.220 577 2HB MET 73 2HB MET 73 0.687 9.462 -5.351 578 1HG MET 73 1HG MET 73 2.380 9.685 -6.818 579 2HG MET 73 2HG MET 73 3.493 8.854 -5.730 580 1HE MET 73 1HE MET 73 0.352 8.424 -7.424 581 2HE MET 73 2HE MET 73 0.815 7.710 -8.966 582 3HE MET 73 3HE MET 73 0.212 6.678 -7.672 583 H ASP 74 H ASP 74 0.272 8.512 -1.963 584 HA ASP 74 HA ASP 74 -0.735 11.279 -1.896 585 1HB ASP 74 1HB ASP 74 -2.350 10.277 -0.317 586 2HB ASP 74 2HB ASP 74 -2.194 9.277 -1.762 587 H GLY 75 H GLY 75 1.747 9.524 -0.355 588 1HA GLY 75 1HA GLY 75 3.297 10.683 1.138 589 2HA GLY 75 2HA GLY 75 1.942 11.639 1.737 590 H LYS 76 H LYS 76 1.775 8.157 1.254 591 HA LYS 76 HA LYS 76 1.407 7.854 4.211 592 1HB LYS 76 1HB LYS 76 0.111 6.863 1.782 593 2HB LYS 76 2HB LYS 76 0.506 5.559 2.903 594 1HG LYS 76 1HG LYS 76 -0.559 6.960 4.736 595 2HG LYS 76 2HG LYS 76 -1.150 8.031 3.465 596 1HD LYS 76 1HD LYS 76 -2.324 6.143 2.404 597 2HD LYS 76 2HD LYS 76 -1.722 5.058 3.658 598 1HE LYS 76 1HE LYS 76 -2.881 6.503 5.373 599 2HE LYS 76 2HE LYS 76 -3.617 7.402 4.031 600 1HZ LYS 76 1HZ LYS 76 -3.764 4.454 4.374 601 2HZ LYS 76 2HZ LYS 76 -5.011 5.533 4.783 602 3HZ LYS 76 3HZ LYS 76 -4.526 5.366 3.163 603 H LYS 77 H LYS 77 2.865 6.587 5.314 604 HA LYS 77 HA LYS 77 4.913 5.109 3.705 605 1HB LYS 77 1HB LYS 77 5.489 7.035 5.290 606 2HB LYS 77 2HB LYS 77 5.023 5.961 6.609 607 1HG LYS 77 1HG LYS 77 6.704 4.328 5.927 608 2HG LYS 77 2HG LYS 77 7.127 5.311 4.524 609 1HD LYS 77 1HD LYS 77 7.813 7.151 6.039 610 2HD LYS 77 2HD LYS 77 7.439 6.130 7.427 611 1HE LYS 77 1HE LYS 77 9.797 5.882 7.084 612 2HE LYS 77 2HE LYS 77 9.080 4.421 6.377 613 1HZ LYS 77 1HZ LYS 77 9.561 6.909 4.834 614 2HZ LYS 77 2HZ LYS 77 10.671 5.627 4.887 615 3HZ LYS 77 3HZ LYS 77 9.124 5.383 4.227 616 H LEU 78 H LEU 78 5.109 2.897 3.996 617 HA LEU 78 HA LEU 78 4.107 1.542 6.387 618 1HB LEU 78 1HB LEU 78 2.310 0.340 5.195 619 2HB LEU 78 2HB LEU 78 2.039 2.082 5.127 620 HG LEU 78 HG LEU 78 3.705 1.172 2.919 621 1HD1 LEU 78 1HD1 LEU 78 1.540 -0.553 3.661 622 2HD1 LEU 78 2HD1 LEU 78 1.103 0.280 2.169 623 3HD1 LEU 78 3HD1 LEU 78 2.591 -0.664 2.248 624 1HD2 LEU 78 1HD2 LEU 78 1.242 2.806 3.402 625 2HD2 LEU 78 2HD2 LEU 78 2.742 3.255 2.590 626 3HD2 LEU 78 3HD2 LEU 78 1.559 2.246 1.759 627 H LYS 79 H LYS 79 4.638 -0.763 6.325 628 HA LYS 79 HA LYS 79 6.756 -1.391 4.308 629 1HB LYS 79 1HB LYS 79 6.129 -2.700 6.972 630 2HB LYS 79 2HB LYS 79 7.612 -2.865 6.030 631 1HG LYS 79 1HG LYS 79 8.185 -0.547 6.393 632 2HG LYS 79 2HG LYS 79 6.620 -0.227 7.141 633 1HD LYS 79 1HD LYS 79 7.157 -1.726 8.995 634 2HD LYS 79 2HD LYS 79 8.689 -2.157 8.232 635 1HE LYS 79 1HE LYS 79 9.692 -0.167 8.817 636 2HE LYS 79 2HE LYS 79 8.181 0.753 8.671 637 1HZ LYS 79 1HZ LYS 79 8.635 -1.294 10.769 638 2HZ LYS 79 2HZ LYS 79 8.952 0.357 11.011 639 3HZ LYS 79 3HZ LYS 79 7.371 -0.168 10.678 640 H CYS 80 H CYS 80 6.841 -3.731 3.628 641 HA CYS 80 HA CYS 80 4.566 -5.480 3.961 642 1HB CYS 80 1HB CYS 80 3.623 -5.144 1.683 643 2HB CYS 80 2HB CYS 80 3.510 -3.679 2.657 644 HG CYS 80 HG CYS 80 5.943 -3.969 0.736 645 H THR 81 H THR 81 5.177 -7.525 3.280 646 HA THR 81 HA THR 81 7.808 -7.779 1.920 647 HB THR 81 HB THR 81 6.038 -9.941 3.081 648 HG1 THR 81 HG1 THR 81 6.760 -9.432 5.038 649 1HG2 THR 81 1HG2 THR 81 8.402 -10.844 3.606 650 2HG2 THR 81 2HG2 THR 81 7.863 -10.896 1.928 651 3HG2 THR 81 3HG2 THR 81 8.971 -9.630 2.459 652 H VAL 82 H VAL 82 7.386 -7.505 -0.303 653 HA VAL 82 HA VAL 82 5.074 -8.642 -1.636 654 HB VAL 82 HB VAL 82 7.748 -7.655 -2.682 655 1HG1 VAL 82 1HG1 VAL 82 5.046 -8.001 -4.018 656 2HG1 VAL 82 2HG1 VAL 82 6.438 -7.209 -4.755 657 3HG1 VAL 82 3HG1 VAL 82 6.506 -8.927 -4.363 658 1HG2 VAL 82 1HG2 VAL 82 6.103 -6.176 -1.184 659 2HG2 VAL 82 2HG2 VAL 82 6.918 -5.497 -2.593 660 3HG2 VAL 82 3HG2 VAL 82 5.240 -6.025 -2.715 661 H HIS 83 H HIS 83 4.930 -10.601 -2.753 662 HA HIS 83 HA HIS 83 7.372 -12.286 -3.021 663 1HB HIS 83 1HB HIS 83 6.171 -14.150 -1.897 664 2HB HIS 83 2HB HIS 83 6.374 -12.769 -0.820 665 HD1 HIS 83 HD1 HIS 83 4.289 -12.096 0.356 666 HD2 HIS 83 HD2 HIS 83 3.452 -13.938 -3.288 667 HE1 HIS 83 HE1 HIS 83 1.766 -12.209 0.174 668 H LEU 84 H LEU 84 6.984 -14.128 -4.502 669 HA LEU 84 HA LEU 84 4.871 -13.485 -6.509 670 1HB LEU 84 1HB LEU 84 7.629 -14.291 -6.529 671 2HB LEU 84 2HB LEU 84 6.676 -15.518 -7.364 672 HG LEU 84 HG LEU 84 5.602 -13.689 -8.703 673 1HD1 LEU 84 1HD1 LEU 84 7.728 -12.006 -7.343 674 2HD1 LEU 84 2HD1 LEU 84 6.721 -11.473 -8.689 675 3HD1 LEU 84 3HD1 LEU 84 5.985 -11.844 -7.130 676 1HD2 LEU 84 1HD2 LEU 84 8.592 -14.118 -8.769 677 2HD2 LEU 84 2HD2 LEU 84 7.360 -14.833 -9.810 678 3HD2 LEU 84 3HD2 LEU 84 7.779 -13.128 -9.983 679 H ALA 85 H ALA 85 3.144 -14.861 -6.746 680 HA ALA 85 HA ALA 85 3.389 -17.657 -5.705 681 1HB ALA 85 1HB ALA 85 2.192 -15.670 -4.308 682 2HB ALA 85 2HB ALA 85 0.831 -16.189 -5.301 683 3HB ALA 85 3HB ALA 85 1.640 -17.344 -4.242 684 H ASN 86 H ASN 86 2.527 -19.133 -7.132 685 HA ASN 86 HA ASN 86 1.417 -19.973 -9.043 686 1HB ASN 86 1HB ASN 86 -0.333 -18.528 -7.513 687 2HB ASN 86 2HB ASN 86 -0.480 -17.702 -9.065 688 1HD2 ASN 86 2HD2 ASN 86 -1.772 -18.710 -10.633 689 2HD2 ASN 86 1HD2 ASN 86 -2.344 -20.305 -10.525 690 H GLY 87 H GLY 87 3.332 -17.419 -9.111 691 1HA GLY 87 1HA GLY 87 4.432 -16.510 -11.024 692 2HA GLY 87 2HA GLY 87 3.120 -17.119 -12.036 693 H LYS 88 H LYS 88 3.244 -14.905 -9.221 694 HA LYS 88 HA LYS 88 2.500 -12.571 -10.755 695 1HB LYS 88 1HB LYS 88 0.174 -12.538 -10.429 696 2HB LYS 88 2HB LYS 88 0.477 -14.249 -10.729 697 1HG LYS 88 1HG LYS 88 0.890 -14.079 -8.019 698 2HG LYS 88 2HG LYS 88 -0.406 -12.907 -8.261 699 1HD LYS 88 1HD LYS 88 -1.797 -14.560 -9.339 700 2HD LYS 88 2HD LYS 88 -0.476 -15.729 -9.361 701 1HE LYS 88 1HE LYS 88 -0.528 -15.975 -6.973 702 2HE LYS 88 2HE LYS 88 -1.601 -14.572 -6.791 703 1HZ LYS 88 1HZ LYS 88 -3.238 -15.745 -8.185 704 2HZ LYS 88 2HZ LYS 88 -2.233 -17.115 -8.195 705 3HZ LYS 88 3HZ LYS 88 -2.917 -16.571 -6.738 706 H LEU 89 H LEU 89 3.251 -10.916 -9.495 707 HA LEU 89 HA LEU 89 4.166 -11.185 -6.828 708 1HB LEU 89 1HB LEU 89 4.635 -9.409 -8.620 709 2HB LEU 89 2HB LEU 89 3.128 -8.647 -8.111 710 HG LEU 89 HG LEU 89 4.914 -9.368 -5.884 711 1HD1 LEU 89 1HD1 LEU 89 6.371 -8.546 -7.935 712 2HD1 LEU 89 2HD1 LEU 89 5.746 -6.963 -7.470 713 3HD1 LEU 89 3HD1 LEU 89 6.679 -7.918 -6.316 714 1HD2 LEU 89 1HD2 LEU 89 3.409 -6.889 -6.772 715 2HD2 LEU 89 2HD2 LEU 89 2.930 -8.030 -5.516 716 3HD2 LEU 89 3HD2 LEU 89 4.330 -6.986 -5.271 717 H VAL 90 H VAL 90 3.207 -10.632 -4.817 718 HA VAL 90 HA VAL 90 0.428 -9.648 -4.725 719 HB VAL 90 HB VAL 90 1.272 -12.450 -3.925 720 1HG1 VAL 90 1HG1 VAL 90 -1.072 -10.759 -3.141 721 2HG1 VAL 90 2HG1 VAL 90 -1.335 -12.481 -3.413 722 3HG1 VAL 90 3HG1 VAL 90 -0.182 -11.948 -2.191 723 1HG2 VAL 90 1HG2 VAL 90 -0.736 -11.340 -5.910 724 2HG2 VAL 90 2HG2 VAL 90 0.732 -12.244 -6.285 725 3HG2 VAL 90 3HG2 VAL 90 -0.618 -13.047 -5.479 726 H THR 91 H THR 91 0.788 -8.068 -3.191 727 HA THR 91 HA THR 91 2.456 -8.753 -0.803 728 HB THR 91 HB THR 91 3.101 -6.814 -2.202 729 HG1 THR 91 HG1 THR 91 2.046 -6.305 0.369 730 1HG2 THR 91 1HG2 THR 91 1.010 -4.996 -1.494 731 2HG2 THR 91 2HG2 THR 91 1.522 -5.499 -3.106 732 3HG2 THR 91 3HG2 THR 91 0.281 -6.413 -2.249 733 H LYS 92 H LYS 92 1.094 -9.570 0.776 734 HA LYS 92 HA LYS 92 -1.611 -8.381 1.127 735 1HB LYS 92 1HB LYS 92 -1.963 -10.367 2.523 736 2HB LYS 92 2HB LYS 92 -1.238 -10.848 0.988 737 1HG LYS 92 1HG LYS 92 1.000 -10.843 2.063 738 2HG LYS 92 2HG LYS 92 0.242 -10.429 3.602 739 1HD LYS 92 1HD LYS 92 -1.141 -12.515 3.415 740 2HD LYS 92 2HD LYS 92 -0.209 -12.950 1.981 741 1HE LYS 92 1HE LYS 92 1.138 -14.018 3.507 742 2HE LYS 92 2HE LYS 92 1.801 -12.392 3.763 743 1HZ LYS 92 1HZ LYS 92 0.051 -12.014 5.423 744 2HZ LYS 92 2HZ LYS 92 -0.475 -13.615 5.233 745 3HZ LYS 92 3HZ LYS 92 1.071 -13.299 5.862 746 H SER 93 H SER 93 -2.255 -7.521 3.190 747 HA SER 93 HA SER 93 -0.111 -7.101 5.218 748 1HB SER 93 1HB SER 93 -1.441 -5.103 3.454 749 2HB SER 93 2HB SER 93 -1.189 -4.628 5.131 750 HG SER 93 HG SER 93 0.985 -4.964 4.884 751 H GLU 94 H GLU 94 -1.343 -5.588 7.035 752 HA GLU 94 HA GLU 94 -3.755 -7.176 7.770 753 1HB GLU 94 1HB GLU 94 -1.788 -7.006 9.289 754 2HB GLU 94 2HB GLU 94 -2.013 -5.257 9.350 755 1HG GLU 94 1HG GLU 94 -4.375 -5.701 10.176 756 2HG GLU 94 2HG GLU 94 -3.906 -7.393 10.357 757 H LYS 95 H LYS 95 -4.030 -5.107 5.742 758 HA LYS 95 HA LYS 95 -6.312 -3.692 6.735 759 1HB LYS 95 1HB LYS 95 -5.403 -1.536 7.172 760 2HB LYS 95 2HB LYS 95 -4.292 -2.654 7.966 761 1HG LYS 95 1HG LYS 95 -3.009 -2.618 5.697 762 2HG LYS 95 2HG LYS 95 -3.918 -1.137 5.393 763 1HD LYS 95 1HD LYS 95 -2.689 0.053 6.876 764 2HD LYS 95 2HD LYS 95 -2.744 -1.236 8.080 765 1HE LYS 95 1HE LYS 95 -1.053 -2.463 6.507 766 2HE LYS 95 2HE LYS 95 -0.772 -0.846 5.832 767 1HZ LYS 95 1HZ LYS 95 -0.502 -0.036 8.141 768 2HZ LYS 95 2HZ LYS 95 -0.577 -1.643 8.688 769 3HZ LYS 95 3HZ LYS 95 0.698 -1.150 7.683 770 H PHE 96 H PHE 96 -4.342 -4.747 4.312 771 HA PHE 96 HA PHE 96 -6.000 -3.773 2.185 772 1HB PHE 96 1HB PHE 96 -4.692 -1.988 1.323 773 2HB PHE 96 2HB PHE 96 -4.709 -1.706 3.064 774 HD1 PHE 96 HD1 PHE 96 -2.752 -3.833 0.659 775 HD2 PHE 96 HD2 PHE 96 -2.659 -1.099 3.971 776 HE1 PHE 96 HE1 PHE 96 -0.277 -3.977 0.707 777 HE2 PHE 96 HE2 PHE 96 -0.184 -1.244 4.019 778 HZ PHE 96 HZ PHE 96 1.008 -2.682 2.388 779 H SER 97 H SER 97 -5.487 -4.876 0.263 780 HA SER 97 HA SER 97 -2.972 -6.516 0.303 781 1HB SER 97 1HB SER 97 -5.772 -7.227 0.231 782 2HB SER 97 2HB SER 97 -4.978 -7.792 -1.237 783 HG SER 97 HG SER 97 -4.645 -9.360 0.264 784 H HIS 98 H HIS 98 -2.109 -6.997 -1.849 785 HA HIS 98 HA HIS 98 -3.217 -5.387 -4.100 786 1HB HIS 98 1HB HIS 98 -1.552 -4.039 -2.805 787 2HB HIS 98 2HB HIS 98 -0.345 -5.286 -3.120 788 HD2 HIS 98 HD2 HIS 98 -1.555 -2.079 -4.766 789 HE1 HIS 98 HE1 HIS 98 0.183 -4.342 -7.893 790 HE2 HIS 98 HE2 HIS 98 -0.694 -2.080 -7.210 791 H GLU 99 H GLU 99 -2.803 -6.346 -6.115 792 HA GLU 99 HA GLU 99 -0.830 -8.543 -6.324 793 1HB GLU 99 1HB GLU 99 -2.862 -9.574 -5.385 794 2HB GLU 99 2HB GLU 99 -3.822 -8.897 -6.701 795 1HG GLU 99 1HG GLU 99 -2.973 -10.369 -8.268 796 2HG GLU 99 2HG GLU 99 -1.437 -10.548 -7.420 797 H GLN 100 H GLN 100 0.126 -8.283 -8.302 798 HA GLN 100 HA GLN 100 -1.519 -7.117 -10.526 799 1HB GLN 100 1HB GLN 100 0.061 -5.491 -9.630 800 2HB GLN 100 2HB GLN 100 1.377 -6.662 -9.739 801 1HG GLN 100 1HG GLN 100 1.256 -6.682 -12.149 802 2HG GLN 100 2HG GLN 100 -0.219 -5.714 -12.133 803 1HE2 GLN 100 2HE2 GLN 100 2.924 -5.348 -12.879 804 2HE2 GLN 100 1HE2 GLN 100 3.191 -3.754 -12.363 805 H GLU 101 H GLU 101 -0.822 -7.828 -12.691 806 HA GLU 101 HA GLU 101 1.063 -10.095 -12.869 807 1HB GLU 101 1HB GLU 101 -1.230 -10.905 -12.062 808 2HB GLU 101 2HB GLU 101 -1.840 -10.444 -13.653 809 1HG GLU 101 1HG GLU 101 -0.268 -11.958 -14.741 810 2HG GLU 101 2HG GLU 101 0.464 -12.359 -13.187 811 H VAL 102 H VAL 102 1.522 -10.637 -15.125 812 HA VAL 102 HA VAL 102 0.606 -8.529 -17.059 813 HB VAL 102 HB VAL 102 2.985 -8.419 -16.242 814 1HG1 VAL 102 1HG1 VAL 102 3.266 -10.881 -15.979 815 2HG1 VAL 102 2HG1 VAL 102 3.229 -11.050 -17.733 816 3HG1 VAL 102 3HG1 VAL 102 4.543 -10.163 -16.960 817 1HG2 VAL 102 1HG2 VAL 102 2.329 -7.562 -18.479 818 2HG2 VAL 102 2HG2 VAL 102 3.972 -8.205 -18.486 819 3HG2 VAL 102 3HG2 VAL 102 2.651 -9.152 -19.169 820 H LYS 103 H LYS 103 -0.106 -9.272 -19.065 821 HA LYS 103 HA LYS 103 0.155 -12.206 -19.624 822 1HB LYS 103 1HB LYS 103 -2.253 -10.387 -19.582 823 2HB LYS 103 2HB LYS 103 -2.259 -11.870 -20.536 824 1HG LYS 103 1HG LYS 103 -1.618 -13.136 -18.468 825 2HG LYS 103 2HG LYS 103 -1.801 -11.642 -17.548 826 1HD LYS 103 1HD LYS 103 -4.156 -11.481 -18.276 827 2HD LYS 103 2HD LYS 103 -3.975 -12.982 -19.185 828 1HE LYS 103 1HE LYS 103 -3.285 -12.941 -16.253 829 2HE LYS 103 2HE LYS 103 -4.978 -13.102 -16.763 830 1HZ LYS 103 1HZ LYS 103 -4.201 -14.863 -18.328 831 2HZ LYS 103 2HZ LYS 103 -2.686 -14.813 -17.560 832 3HZ LYS 103 3HZ LYS 103 -4.062 -15.281 -16.687 833 H GLY 104 H GLY 104 1.828 -11.664 -21.190 834 1HA GLY 104 1HA GLY 104 2.341 -11.464 -23.505 835 2HA GLY 104 2HA GLY 104 0.723 -10.819 -23.782 836 H ASN 105 H ASN 105 0.490 -8.617 -23.935 837 HA ASN 105 HA ASN 105 2.906 -6.952 -23.299 838 1HB ASN 105 1HB ASN 105 2.213 -5.586 -25.204 839 2HB ASN 105 2HB ASN 105 2.300 -7.274 -25.710 840 1HD2 ASN 105 2HD2 ASN 105 0.641 -5.392 -27.100 841 2HD2 ASN 105 1HD2 ASN 105 -0.982 -5.823 -26.845 842 H GLU 106 H GLU 106 -0.005 -7.683 -22.041 843 HA GLU 106 HA GLU 106 -0.651 -4.847 -21.300 844 1HB GLU 106 1HB GLU 106 -2.316 -7.377 -21.484 845 2HB GLU 106 2HB GLU 106 -2.927 -5.850 -20.843 846 1HG GLU 106 1HG GLU 106 -2.559 -4.736 -22.954 847 2HG GLU 106 2HG GLU 106 -1.719 -6.144 -23.605 848 H MET 107 H MET 107 -1.589 -4.681 -19.026 849 HA MET 107 HA MET 107 -0.492 -6.751 -17.165 850 1HB MET 107 1HB MET 107 0.392 -4.011 -17.643 851 2HB MET 107 2HB MET 107 -0.048 -4.268 -15.955 852 1HG MET 107 1HG MET 107 1.345 -6.516 -16.317 853 2HG MET 107 2HG MET 107 2.125 -5.540 -17.562 854 1HE MET 107 1HE MET 107 4.301 -6.088 -16.124 855 2HE MET 107 2HE MET 107 4.529 -5.602 -14.438 856 3HE MET 107 3HE MET 107 3.355 -6.850 -14.847 857 H VAL 108 H VAL 108 -1.822 -7.094 -15.379 858 HA VAL 108 HA VAL 108 -4.170 -5.250 -15.056 859 HB VAL 108 HB VAL 108 -4.003 -8.274 -14.818 860 1HG1 VAL 108 1HG1 VAL 108 -6.186 -6.266 -14.292 861 2HG1 VAL 108 2HG1 VAL 108 -6.585 -7.911 -14.790 862 3HG1 VAL 108 3HG1 VAL 108 -5.681 -7.634 -13.301 863 1HG2 VAL 108 1HG2 VAL 108 -3.904 -7.337 -17.147 864 2HG2 VAL 108 2HG2 VAL 108 -5.349 -8.302 -16.845 865 3HG2 VAL 108 3HG2 VAL 108 -5.449 -6.542 -16.846 866 H GLU 109 H GLU 109 -4.351 -4.445 -12.998 867 HA GLU 109 HA GLU 109 -2.819 -5.820 -10.814 868 1HB GLU 109 1HB GLU 109 -3.410 -2.939 -11.496 869 2HB GLU 109 2HB GLU 109 -2.916 -3.400 -9.867 870 1HG GLU 109 1HG GLU 109 -0.825 -4.252 -10.631 871 2HG GLU 109 2HG GLU 109 -1.346 -4.221 -12.316 872 H THR 110 H THR 110 -3.987 -6.416 -9.004 873 HA THR 110 HA THR 110 -6.824 -5.450 -8.808 874 HB THR 110 HB THR 110 -5.637 -8.174 -8.178 875 HG1 THR 110 HG1 THR 110 -6.575 -8.806 -10.042 876 1HG2 THR 110 1HG2 THR 110 -8.562 -7.764 -8.428 877 2HG2 THR 110 2HG2 THR 110 -7.658 -8.796 -7.318 878 3HG2 THR 110 3HG2 THR 110 -7.810 -7.069 -6.991 879 H ILE 111 H ILE 111 -7.092 -4.283 -6.949 880 HA ILE 111 HA ILE 111 -5.464 -5.056 -4.548 881 HB ILE 111 HB ILE 111 -6.312 -2.304 -5.516 882 1HG1 ILE 111 1HG1 ILE 111 -3.551 -3.557 -5.387 883 2HG1 ILE 111 2HG1 ILE 111 -4.514 -3.440 -6.861 884 1HG2 ILE 111 1HG2 ILE 111 -6.144 -2.584 -3.027 885 2HG2 ILE 111 2HG2 ILE 111 -4.467 -3.087 -3.240 886 3HG2 ILE 111 3HG2 ILE 111 -4.962 -1.453 -3.684 887 1HD1 ILE 111 1HD1 ILE 111 -4.632 -0.946 -6.485 888 2HD1 ILE 111 2HD1 ILE 111 -3.471 -1.151 -5.172 889 3HD1 ILE 111 3HD1 ILE 111 -3.011 -1.551 -6.827 890 H THR 112 H THR 112 -6.661 -5.323 -2.677 891 HA THR 112 HA THR 112 -9.566 -4.575 -2.792 892 HB THR 112 HB THR 112 -9.855 -6.554 -1.306 893 HG1 THR 112 HG1 THR 112 -7.134 -7.085 -1.841 894 1HG2 THR 112 1HG2 THR 112 -8.196 -7.371 -3.689 895 2HG2 THR 112 2HG2 THR 112 -9.609 -8.178 -3.009 896 3HG2 THR 112 3HG2 THR 112 -9.797 -6.658 -3.882 897 H PHE 113 H PHE 113 -10.134 -3.034 -1.310 898 HA PHE 113 HA PHE 113 -8.766 -2.968 1.330 899 1HB PHE 113 1HB PHE 113 -7.522 -1.524 -0.300 900 2HB PHE 113 2HB PHE 113 -8.997 -0.589 -0.541 901 HD1 PHE 113 HD1 PHE 113 -9.900 0.836 1.239 902 HD2 PHE 113 HD2 PHE 113 -6.275 -1.400 1.793 903 HE1 PHE 113 HE1 PHE 113 -9.374 2.186 3.252 904 HE2 PHE 113 HE2 PHE 113 -5.749 -0.050 3.806 905 HZ PHE 113 HZ PHE 113 -7.300 1.743 4.535 906 H GLY 114 H GLY 114 -10.315 -2.665 2.883 907 1HA GLY 114 1HA GLY 114 -12.314 -1.976 3.906 908 2HA GLY 114 2HA GLY 114 -12.463 -0.765 2.632 909 H GLY 115 H GLY 115 -12.233 -4.256 2.110 910 1HA GLY 115 1HA GLY 115 -13.816 -5.780 1.267 911 2HA GLY 115 2HA GLY 115 -15.078 -4.653 1.763 912 H VAL 116 H VAL 116 -12.832 -3.010 -0.095 913 HA VAL 116 HA VAL 116 -14.571 -3.291 -2.520 914 HB VAL 116 HB VAL 116 -12.789 -1.042 -1.526 915 1HG1 VAL 116 1HG1 VAL 116 -13.092 -1.275 -4.049 916 2HG1 VAL 116 2HG1 VAL 116 -14.810 -0.975 -3.778 917 3HG1 VAL 116 3HG1 VAL 116 -13.622 0.258 -3.357 918 1HG2 VAL 116 1HG2 VAL 116 -15.757 -1.583 -1.417 919 2HG2 VAL 116 2HG2 VAL 116 -14.681 -1.096 -0.108 920 3HG2 VAL 116 3HG2 VAL 116 -15.132 0.066 -1.356 921 H THR 117 H THR 117 -13.602 -3.943 -4.425 922 HA THR 117 HA THR 117 -10.629 -4.339 -4.381 923 HB THR 117 HB THR 117 -12.804 -5.748 -5.964 924 HG1 THR 117 HG1 THR 117 -12.678 -7.303 -4.441 925 1HG2 THR 117 1HG2 THR 117 -10.744 -7.447 -5.991 926 2HG2 THR 117 2HG2 THR 117 -10.911 -6.178 -7.205 927 3HG2 THR 117 3HG2 THR 117 -9.830 -5.947 -5.832 928 H LEU 118 H LEU 118 -9.441 -3.343 -5.992 929 HA LEU 118 HA LEU 118 -10.974 -1.862 -8.103 930 1HB LEU 118 1HB LEU 118 -9.845 -0.410 -6.523 931 2HB LEU 118 2HB LEU 118 -8.346 -1.326 -6.686 932 HG LEU 118 HG LEU 118 -8.454 -0.726 -9.187 933 1HD1 LEU 118 1HD1 LEU 118 -10.866 0.039 -9.007 934 2HD1 LEU 118 2HD1 LEU 118 -10.276 1.453 -8.132 935 3HD1 LEU 118 3HD1 LEU 118 -9.785 1.182 -9.804 936 1HD2 LEU 118 1HD2 LEU 118 -8.035 1.398 -7.061 937 2HD2 LEU 118 2HD2 LEU 118 -6.819 0.297 -7.707 938 3HD2 LEU 118 3HD2 LEU 118 -7.501 1.558 -8.734 939 H ILE 119 H ILE 119 -10.330 -2.153 -10.249 940 HA ILE 119 HA ILE 119 -8.091 -4.099 -10.719 941 HB ILE 119 HB ILE 119 -10.701 -3.621 -12.195 942 1HG1 ILE 119 1HG1 ILE 119 -9.739 -6.076 -10.699 943 2HG1 ILE 119 2HG1 ILE 119 -10.766 -4.841 -9.969 944 1HG2 ILE 119 1HG2 ILE 119 -8.291 -5.330 -12.788 945 2HG2 ILE 119 2HG2 ILE 119 -9.892 -5.818 -13.344 946 3HG2 ILE 119 3HG2 ILE 119 -9.202 -4.286 -13.880 947 1HD1 ILE 119 1HD1 ILE 119 -12.396 -5.199 -11.865 948 2HD1 ILE 119 2HD1 ILE 119 -11.414 -6.575 -12.367 949 3HD1 ILE 119 3HD1 ILE 119 -12.212 -6.588 -10.794 950 H ARG 120 H ARG 120 -6.387 -2.839 -11.435 951 HA ARG 120 HA ARG 120 -6.962 -0.601 -13.331 952 1HB ARG 120 1HB ARG 120 -5.696 -0.245 -11.178 953 2HB ARG 120 2HB ARG 120 -4.435 -1.306 -11.806 954 1HG ARG 120 1HG ARG 120 -3.909 0.189 -13.578 955 2HG ARG 120 2HG ARG 120 -5.392 1.114 -13.340 956 1HD ARG 120 1HD ARG 120 -3.556 2.389 -12.376 957 2HD ARG 120 2HD ARG 120 -4.514 1.734 -11.032 958 HE ARG 120 HE ARG 120 -2.731 -0.275 -11.407 959 1HH1 ARG 120 1HH1 ARG 120 -2.638 2.687 -9.926 960 2HH1 ARG 120 2HH1 ARG 120 -0.912 2.835 -9.888 961 1HH2 ARG 120 1HH2 ARG 120 -0.368 0.101 -11.951 962 2HH2 ARG 120 2HH2 ARG 120 0.373 1.371 -11.035 963 H ARG 121 H ARG 121 -6.541 -0.984 -15.468 964 HA ARG 121 HA ARG 121 -4.815 -3.313 -16.190 965 1HB ARG 121 1HB ARG 121 -7.156 -1.866 -17.327 966 2HB ARG 121 2HB ARG 121 -6.008 -2.534 -18.488 967 1HG ARG 121 1HG ARG 121 -6.179 -4.738 -17.312 968 2HG ARG 121 2HG ARG 121 -7.439 -4.049 -16.287 969 1HD ARG 121 1HD ARG 121 -7.647 -3.987 -19.308 970 2HD ARG 121 2HD ARG 121 -8.261 -5.349 -18.348 971 HE ARG 121 HE ARG 121 -9.101 -2.560 -17.683 972 1HH1 ARG 121 1HH1 ARG 121 -10.388 -4.366 -19.939 973 2HH1 ARG 121 2HH1 ARG 121 -11.813 -4.880 -19.099 974 1HH2 ARG 121 1HH2 ARG 121 -10.672 -3.846 -15.991 975 2HH2 ARG 121 2HH2 ARG 121 -11.974 -4.586 -16.863 976 H SER 122 H SER 122 -2.780 -2.862 -16.931 977 HA SER 122 HA SER 122 -2.257 -0.128 -18.055 978 1HB SER 122 1HB SER 122 -0.590 -2.023 -16.380 979 2HB SER 122 2HB SER 122 0.084 -0.597 -17.163 980 HG SER 122 HG SER 122 -0.609 -0.218 -14.990 981 H LYS 123 H LYS 123 -0.532 -0.090 -19.730 982 HA LYS 123 HA LYS 123 -0.255 -2.706 -21.175 983 1HB LYS 123 1HB LYS 123 -1.890 -0.777 -21.978 984 2HB LYS 123 2HB LYS 123 -0.398 -0.067 -22.596 985 1HG LYS 123 1HG LYS 123 0.085 -2.144 -23.834 986 2HG LYS 123 2HG LYS 123 -1.405 -2.859 -23.217 987 1HD LYS 123 1HD LYS 123 -2.683 -0.983 -24.283 988 2HD LYS 123 2HD LYS 123 -1.174 -0.424 -25.007 989 1HE LYS 123 1HE LYS 123 -2.079 -3.280 -25.388 990 2HE LYS 123 2HE LYS 123 -2.678 -1.984 -26.444 991 1HZ LYS 123 1HZ LYS 123 0.194 -2.434 -25.839 992 2HZ LYS 123 2HZ LYS 123 -0.576 -3.023 -27.233 993 3HZ LYS 123 3HZ LYS 123 -0.457 -1.352 -26.975 994 H ARG 124 H ARG 124 1.726 -2.889 -22.437 995 HA ARG 124 HA ARG 124 4.017 -1.547 -21.203 996 1HB ARG 124 1HB ARG 124 3.979 -3.936 -21.852 997 2HB ARG 124 2HB ARG 124 3.760 -3.470 -23.540 998 1HG ARG 124 1HG ARG 124 5.917 -2.307 -23.527 999 2HG ARG 124 2HG ARG 124 6.133 -2.690 -21.819 1000 1HD ARG 124 1HD ARG 124 6.232 -5.073 -22.303 1001 2HD ARG 124 2HD ARG 124 5.836 -4.777 -24.008 1002 HE ARG 124 HE ARG 124 7.985 -3.387 -24.063 1003 1HH1 ARG 124 1HH1 ARG 124 7.902 -6.548 -23.255 1004 2HH1 ARG 124 2HH1 ARG 124 9.371 -6.581 -22.338 1005 1HH2 ARG 124 1HH2 ARG 124 9.694 -3.130 -22.228 1006 2HH2 ARG 124 2HH2 ARG 124 10.385 -4.646 -21.756 1007 H VAL 125 HN VAL 125 5.134 0.185 -22.058 1008 HA VAL 125 HA VAL 125 4.584 0.975 -24.893 1009 HB VAL 125 HB VAL 125 3.115 2.233 -23.364 1010 1HG1 VAL 125 1HG1 VAL 125 5.738 2.948 -22.022 1011 2HG1 VAL 125 2HG1 VAL 125 4.216 3.781 -21.705 1012 3HG1 VAL 125 3HG1 VAL 125 4.383 2.070 -21.309 1013 1HG2 VAL 125 1HG2 VAL 125 4.493 3.289 -25.366 1014 2HG2 VAL 125 2HG2 VAL 125 3.541 4.322 -24.300 1015 3HG2 VAL 125 3HG2 VAL 125 5.284 4.184 -24.067 1016 1H1 JN3 130 1H1 JN3 130 -3.738 1.402 -7.132 1017 2H1 JN3 130 2H1 JN3 130 -3.395 2.806 -8.198 1018 1H2 JN3 130 1H2 JN3 130 -1.106 2.829 -7.454 1019 2H2 JN3 130 2H2 JN3 130 -1.564 1.227 -8.151 1020 H3 JN3 130 H3 JN3 130 -1.944 0.306 -5.791 1021 HO3 JN3 130 HO3 JN3 130 0.450 1.119 -4.971 1022 1H4 JN3 130 1H4 JN3 130 -1.048 3.068 -4.851 1023 2H4 JN3 130 2H4 JN3 130 -1.416 1.688 -3.799 1024 H5 JN3 130 H5 JN3 130 -3.849 1.692 -4.715 1025 1H6 JN3 130 1H6 JN3 130 -3.379 3.019 -2.630 1026 2H6 JN3 130 2H6 JN3 130 -4.657 3.718 -3.612 1027 H7 JN3 130 H7 JN3 130 -3.074 5.450 -2.768 1028 HO7 JN3 130 HO7 JN3 130 -1.062 4.627 -2.661 1029 H8 JN3 130 H8 JN3 130 -4.254 5.836 -4.895 1030 H9 JN3 130 H9 JN3 130 -1.655 4.564 -6.189 1031 1H11 JN3 130 1H11 JN3 130 -4.159 5.754 -7.554 1032 2H11 JN3 130 2H11 JN3 130 -2.853 4.935 -8.410 1033 1H12 JN3 130 1H12 JN3 130 -2.495 7.380 -8.547 1034 2H12 JN3 130 2H12 JN3 130 -1.227 6.692 -7.529 1035 H14 JN3 130 H14 JN3 130 -1.310 6.890 -5.013 1036 1H15 JN3 130 1H15 JN3 130 -2.158 7.902 -3.037 1037 2H15 JN3 130 2H15 JN3 130 -3.766 8.122 -3.720 1038 1H16 JN3 130 1H16 JN3 130 -1.356 9.776 -4.096 1039 2H16 JN3 130 2H16 JN3 130 -3.056 10.135 -4.574 1040 H17 JN3 130 H17 JN3 130 -0.819 8.880 -6.273 1041 1H18 JN3 130 1H18 JN3 130 -4.622 8.825 -5.658 1042 2H18 JN3 130 2H18 JN3 130 -4.608 8.632 -7.427 1043 3H18 JN3 130 3H18 JN3 130 -4.916 7.226 -6.381 1044 1H19 JN3 130 1H19 JN3 130 -5.401 4.146 -5.447 1045 2H19 JN3 130 2H19 JN3 130 -5.328 3.902 -7.208 1046 3H19 JN3 130 3H19 JN3 130 -5.591 2.513 -6.128 1047 H20 JN3 130 H20 JN3 130 -3.017 10.835 -6.920 1048 1H21 JN3 130 1H21 JN3 130 -2.229 11.071 -9.145 1049 2H21 JN3 130 2H21 JN3 130 -1.168 9.657 -8.937 1050 3H21 JN3 130 3H21 JN3 130 -2.935 9.462 -8.863 1051 1H22 JN3 130 1H22 JN3 130 -0.902 12.112 -7.711 1052 2H22 JN3 130 2H22 JN3 130 0.003 10.882 -6.764 1053 1H23 JN3 130 1H23 JN3 130 -0.288 12.144 -4.911 1054 2H23 JN3 130 2H23 JN3 130 -2.021 11.996 -5.058 1055 1H1 JN3 131 1H1 JN3 131 5.047 -4.720 -4.992 1056 2H1 JN3 131 2H1 JN3 131 3.413 -4.865 -4.260 1057 1H2 JN3 131 1H2 JN3 131 2.479 -3.561 -6.054 1058 2H2 JN3 131 2H2 JN3 131 3.351 -5.017 -6.673 1059 H3 JN3 131 H3 JN3 131 5.407 -3.574 -7.180 1060 HO3 JN3 131 HO3 JN3 131 4.065 -1.833 -8.598 1061 1H4 JN3 131 1H4 JN3 131 3.704 -1.251 -6.168 1062 2H4 JN3 131 2H4 JN3 131 5.330 -1.114 -6.863 1063 H5 JN3 131 H5 JN3 131 6.237 -2.593 -4.928 1064 1H6 JN3 131 1H6 JN3 131 6.277 -0.098 -4.614 1065 2H6 JN3 131 2H6 JN3 131 6.056 -0.974 -3.107 1066 H7 JN3 131 H7 JN3 131 4.536 0.995 -3.273 1067 HO7 JN3 131 HO7 JN3 131 3.791 1.359 -5.252 1068 H8 JN3 131 H8 JN3 131 3.832 -0.957 -1.945 1069 H9 JN3 131 H9 JN3 131 2.414 -1.863 -4.629 1070 1H11 JN3 131 1H11 JN3 131 2.395 -3.194 -1.841 1071 2H11 JN3 131 2H11 JN3 131 1.682 -3.905 -3.289 1072 1H12 JN3 131 1H12 JN3 131 -0.098 -2.789 -1.979 1073 2H12 JN3 131 2H12 JN3 131 0.140 -1.881 -3.475 1074 H14 JN3 131 H14 JN3 131 1.423 0.295 -3.499 1075 1H15 JN3 131 1H15 JN3 131 2.358 2.167 -2.375 1076 2H15 JN3 131 2H15 JN3 131 2.784 1.225 -0.950 1077 1H16 JN3 131 1H16 JN3 131 0.175 2.378 -1.690 1078 2H16 JN3 131 2H16 JN3 131 0.679 1.643 -0.125 1079 H17 JN3 131 H17 JN3 131 -0.759 0.299 -2.489 1080 1H18 JN3 131 1H18 JN3 131 1.802 -0.327 0.320 1081 2H18 JN3 131 2H18 JN3 131 0.959 -1.894 0.339 1082 3H18 JN3 131 3H18 JN3 131 2.563 -1.755 -0.420 1083 1H19 JN3 131 1H19 JN3 131 5.235 -2.533 -2.110 1084 2H19 JN3 131 2H19 JN3 131 4.392 -4.099 -2.170 1085 3H19 JN3 131 3H19 JN3 131 5.978 -3.912 -2.955 1086 H20 JN3 131 H20 JN3 131 -0.992 -0.650 0.345 1087 1H21 JN3 131 1H21 JN3 131 -3.272 -1.086 -0.140 1088 2H21 JN3 131 2H21 JN3 131 -3.046 -0.507 -1.807 1089 3H21 JN3 131 3H21 JN3 131 -2.184 -1.958 -1.245 1090 1H22 JN3 131 1H22 JN3 131 -3.095 1.206 -0.121 1091 2H22 JN3 131 2H22 JN3 131 -1.558 2.034 -0.546 1092 1H23 JN3 131 1H23 JN3 131 -1.027 2.316 1.646 1093 2H23 JN3 131 2H23 JN3 131 -1.409 0.661 2.050 Start of MODEL 9 1 1H ALA 1 1H ALA 1 7.281 -10.607 -18.729 2 2H ALA 1 2H ALA 1 5.760 -11.349 -18.577 3 3H ALA 1 3H ALA 1 7.166 -12.298 -18.673 4 HA ALA 1 HA ALA 1 6.263 -12.116 -16.375 5 1HB ALA 1 1HB ALA 1 8.606 -12.653 -16.950 6 2HB ALA 1 2HB ALA 1 8.985 -10.932 -17.014 7 3HB ALA 1 3HB ALA 1 8.534 -11.678 -15.482 8 H PHE 2 H PHE 2 7.128 -10.427 -14.466 9 HA PHE 2 HA PHE 2 5.440 -8.074 -14.804 10 1HB PHE 2 1HB PHE 2 7.319 -9.098 -12.658 11 2HB PHE 2 2HB PHE 2 6.346 -7.640 -12.465 12 HD1 PHE 2 HD1 PHE 2 3.903 -7.756 -12.313 13 HD2 PHE 2 HD2 PHE 2 6.282 -11.307 -12.739 14 HE1 PHE 2 HE1 PHE 2 1.949 -9.142 -11.673 15 HE2 PHE 2 HE2 PHE 2 4.327 -12.693 -12.099 16 HZ PHE 2 HZ PHE 2 2.161 -11.611 -11.566 17 H SER 3 H SER 3 8.908 -8.749 -14.892 18 HA SER 3 HA SER 3 9.976 -6.152 -14.621 19 1HB SER 3 1HB SER 3 11.896 -7.111 -15.685 20 2HB SER 3 2HB SER 3 11.106 -8.439 -14.840 21 HG SER 3 HG SER 3 11.237 -7.856 -17.579 22 H GLY 4 H GLY 4 10.245 -4.427 -16.072 23 1HA GLY 4 1HA GLY 4 10.317 -3.823 -18.556 24 2HA GLY 4 2HA GLY 4 8.781 -4.683 -18.669 25 H THR 5 H THR 5 8.292 -2.349 -19.531 26 HA THR 5 HA THR 5 7.607 -0.533 -17.252 27 HB THR 5 HB THR 5 7.810 -0.045 -20.243 28 HG1 THR 5 HG1 THR 5 9.840 0.336 -19.889 29 1HG2 THR 5 1HG2 THR 5 8.095 2.376 -19.112 30 2HG2 THR 5 2HG2 THR 5 6.519 1.731 -19.574 31 3HG2 THR 5 3HG2 THR 5 7.059 1.626 -17.898 32 H TRP 6 H TRP 6 5.456 -0.237 -16.771 33 HA TRP 6 HA TRP 6 3.435 -1.265 -18.739 34 1HB TRP 6 1HB TRP 6 3.399 -1.184 -15.703 35 2HB TRP 6 2HB TRP 6 2.116 -1.841 -16.720 36 HD1 TRP 6 HD1 TRP 6 5.273 -2.782 -15.038 37 HE1 TRP 6 HE1 TRP 6 6.016 -5.141 -15.766 38 HE3 TRP 6 HE3 TRP 6 2.145 -3.505 -19.010 39 HZ2 TRP 6 HZ2 TRP 6 5.369 -7.078 -17.769 40 HZ3 TRP 6 HZ3 TRP 6 2.230 -5.613 -20.309 41 HH2 TRP 6 HH2 TRP 6 3.836 -7.400 -19.694 42 H GLN 7 H GLN 7 1.847 0.186 -19.334 43 HA GLN 7 HA GLN 7 1.754 2.803 -17.866 44 1HB GLN 7 1HB GLN 7 2.678 2.868 -20.161 45 2HB GLN 7 2HB GLN 7 1.203 2.118 -20.772 46 1HG GLN 7 1HG GLN 7 -0.114 4.038 -19.940 47 2HG GLN 7 2HG GLN 7 1.368 4.794 -19.354 48 1HE2 GLN 7 2HE2 GLN 7 -0.430 5.874 -21.451 49 2HE2 GLN 7 1HE2 GLN 7 0.504 5.993 -22.864 50 H VAL 8 H VAL 8 -0.133 2.997 -16.727 51 HA VAL 8 HA VAL 8 -2.408 1.271 -17.069 52 HB VAL 8 HB VAL 8 -2.108 3.983 -15.737 53 1HG1 VAL 8 1HG1 VAL 8 -4.245 1.887 -15.749 54 2HG1 VAL 8 2HG1 VAL 8 -3.930 2.750 -14.243 55 3HG1 VAL 8 3HG1 VAL 8 -4.400 3.643 -15.690 56 1HG2 VAL 8 1HG2 VAL 8 -0.640 1.788 -15.170 57 2HG2 VAL 8 2HG2 VAL 8 -1.176 2.918 -13.926 58 3HG2 VAL 8 3HG2 VAL 8 -2.075 1.428 -14.210 59 H TYR 9 H TYR 9 -4.060 1.445 -18.535 60 HA TYR 9 HA TYR 9 -4.480 4.095 -19.882 61 1HB TYR 9 1HB TYR 9 -4.865 2.833 -21.936 62 2HB TYR 9 2HB TYR 9 -3.316 2.341 -21.250 63 HD1 TYR 9 HD1 TYR 9 -3.110 0.188 -20.019 64 HD2 TYR 9 HD2 TYR 9 -6.728 1.310 -22.044 65 HE1 TYR 9 HE1 TYR 9 -3.901 -2.159 -19.906 66 HE2 TYR 9 HE2 TYR 9 -7.519 -1.037 -21.930 67 HH TYR 9 HH TYR 9 -5.812 -3.537 -21.581 68 H ALA 10 H ALA 10 -5.883 1.251 -18.403 69 HA ALA 10 HA ALA 10 -8.580 2.535 -18.612 70 1HB ALA 10 1HB ALA 10 -7.698 -0.283 -19.256 71 2HB ALA 10 2HB ALA 10 -9.381 0.092 -18.888 72 3HB ALA 10 3HB ALA 10 -8.596 0.839 -20.279 73 H GLN 11 H GLN 11 -9.591 2.614 -16.633 74 HA GLN 11 HA GLN 11 -8.785 0.659 -14.523 75 1HB GLN 11 1HB GLN 11 -8.768 3.688 -14.390 76 2HB GLN 11 2HB GLN 11 -8.656 2.656 -12.962 77 1HG GLN 11 1HG GLN 11 -6.571 1.766 -13.623 78 2HG GLN 11 2HG GLN 11 -6.774 2.299 -15.292 79 1HE2 GLN 11 2HE2 GLN 11 -6.871 4.791 -15.564 80 2HE2 GLN 11 1HE2 GLN 11 -5.878 5.717 -14.547 81 H GLU 12 H GLU 12 -10.666 -0.236 -13.780 82 HA GLU 12 HA GLU 12 -13.210 1.288 -14.062 83 1HB GLU 12 1HB GLU 12 -12.891 -1.043 -14.959 84 2HB GLU 12 2HB GLU 12 -12.681 -1.602 -13.299 85 1HG GLU 12 1HG GLU 12 -14.915 -0.926 -12.707 86 2HG GLU 12 2HG GLU 12 -15.129 -0.091 -14.246 87 H ASN 13 H ASN 13 -14.492 1.777 -12.247 88 HA ASN 13 HA ASN 13 -14.942 2.244 -9.974 89 1HB ASN 13 1HB ASN 13 -13.644 -0.455 -10.091 90 2HB ASN 13 2HB ASN 13 -13.927 0.266 -8.506 91 1HD2 ASN 13 2HD2 ASN 13 -16.255 1.010 -8.092 92 2HD2 ASN 13 1HD2 ASN 13 -17.511 0.124 -8.812 93 H TYR 14 H TYR 14 -12.189 2.932 -11.319 94 HA TYR 14 HA TYR 14 -10.102 2.904 -9.418 95 1HB TYR 14 1HB TYR 14 -9.927 3.579 -11.789 96 2HB TYR 14 2HB TYR 14 -10.877 5.025 -11.449 97 HD1 TYR 14 HD1 TYR 14 -9.948 6.869 -10.126 98 HD2 TYR 14 HD2 TYR 14 -7.623 3.368 -11.017 99 HE1 TYR 14 HE1 TYR 14 -7.887 8.061 -9.431 100 HE2 TYR 14 HE2 TYR 14 -5.562 4.561 -10.323 101 HH TYR 14 HH TYR 14 -5.357 7.835 -9.993 102 H GLU 15 H GLU 15 -12.695 5.328 -9.869 103 HA GLU 15 HA GLU 15 -11.821 7.084 -7.759 104 1HB GLU 15 1HB GLU 15 -14.371 6.584 -9.294 105 2HB GLU 15 2HB GLU 15 -14.320 7.785 -8.002 106 1HG GLU 15 1HG GLU 15 -13.786 9.037 -9.926 107 2HG GLU 15 2HG GLU 15 -12.209 8.685 -9.219 108 H GLU 16 H GLU 16 -14.282 4.487 -7.870 109 HA GLU 16 HA GLU 16 -15.264 4.727 -5.223 110 1HB GLU 16 1HB GLU 16 -14.921 2.467 -7.195 111 2HB GLU 16 2HB GLU 16 -15.670 2.190 -5.621 112 1HG GLU 16 1HG GLU 16 -17.263 4.077 -6.138 113 2HG GLU 16 2HG GLU 16 -16.597 4.113 -7.771 114 H PHE 17 H PHE 17 -12.807 2.372 -6.371 115 HA PHE 17 HA PHE 17 -11.988 1.363 -3.888 116 1HB PHE 17 1HB PHE 17 -11.292 0.521 -6.093 117 2HB PHE 17 2HB PHE 17 -10.360 1.992 -6.373 118 HD1 PHE 17 HD1 PHE 17 -8.326 2.470 -5.045 119 HD2 PHE 17 HD2 PHE 17 -10.496 -1.210 -4.604 120 HE1 PHE 17 HE1 PHE 17 -6.389 1.470 -3.862 121 HE2 PHE 17 HE2 PHE 17 -8.559 -2.210 -3.421 122 HZ PHE 17 HZ PHE 17 -6.506 -0.870 -3.050 123 H LEU 18 H LEU 18 -10.402 4.054 -5.662 124 HA LEU 18 HA LEU 18 -8.572 4.823 -3.659 125 1HB LEU 18 1HB LEU 18 -9.953 6.060 -5.990 126 2HB LEU 18 2HB LEU 18 -9.157 7.166 -4.871 127 HG LEU 18 HG LEU 18 -7.619 6.458 -6.674 128 1HD1 LEU 18 1HD1 LEU 18 -7.192 6.114 -3.821 129 2HD1 LEU 18 2HD1 LEU 18 -6.141 5.045 -4.750 130 3HD1 LEU 18 3HD1 LEU 18 -6.104 6.786 -5.036 131 1HD2 LEU 18 1HD2 LEU 18 -8.879 3.998 -6.374 132 2HD2 LEU 18 2HD2 LEU 18 -7.429 4.298 -7.332 133 3HD2 LEU 18 3HD2 LEU 18 -7.285 3.724 -5.671 134 H LYS 19 H LYS 19 -11.949 5.886 -4.145 135 HA LYS 19 HA LYS 19 -12.114 7.862 -2.139 136 1HB LYS 19 1HB LYS 19 -13.864 7.403 -3.774 137 2HB LYS 19 2HB LYS 19 -14.113 5.791 -3.103 138 1HG LYS 19 1HG LYS 19 -14.309 7.978 -1.131 139 2HG LYS 19 2HG LYS 19 -15.560 7.998 -2.375 140 1HD LYS 19 1HD LYS 19 -15.674 5.404 -1.836 141 2HD LYS 19 2HD LYS 19 -14.991 5.922 -0.293 142 1HE LYS 19 1HE LYS 19 -17.399 7.331 -1.457 143 2HE LYS 19 2HE LYS 19 -17.578 5.864 -0.473 144 1HZ LYS 19 1HZ LYS 19 -16.012 8.256 0.336 145 2HZ LYS 19 2HZ LYS 19 -17.585 7.913 0.876 146 3HZ LYS 19 3HZ LYS 19 -16.300 6.875 1.276 147 H ALA 20 H ALA 20 -12.353 4.324 -1.855 148 HA ALA 20 HA ALA 20 -13.149 4.263 0.912 149 1HB ALA 20 1HB ALA 20 -13.274 2.444 -0.866 150 2HB ALA 20 2HB ALA 20 -11.540 2.217 -0.640 151 3HB ALA 20 3HB ALA 20 -12.650 1.914 0.696 152 H LEU 21 H LEU 21 -10.022 4.502 -0.709 153 HA LEU 21 HA LEU 21 -8.285 3.793 1.415 154 1HB LEU 21 1HB LEU 21 -8.198 4.960 -1.172 155 2HB LEU 21 2HB LEU 21 -7.290 6.032 -0.105 156 HG LEU 21 HG LEU 21 -6.061 4.000 0.752 157 1HD1 LEU 21 1HD1 LEU 21 -8.044 2.564 -0.383 158 2HD1 LEU 21 2HD1 LEU 21 -6.869 2.517 -1.698 159 3HD1 LEU 21 3HD1 LEU 21 -6.433 1.903 -0.104 160 1HD2 LEU 21 1HD2 LEU 21 -5.106 5.503 -0.976 161 2HD2 LEU 21 2HD2 LEU 21 -4.602 3.831 -1.224 162 3HD2 LEU 21 3HD2 LEU 21 -5.870 4.529 -2.232 163 H ALA 22 H ALA 22 -10.326 6.583 1.020 164 HA ALA 22 HA ALA 22 -10.842 8.201 2.710 165 1HB ALA 22 1HB ALA 22 -9.531 6.246 4.063 166 2HB ALA 22 2HB ALA 22 -8.372 7.564 4.236 167 3HB ALA 22 3HB ALA 22 -10.026 7.763 4.813 168 H LEU 23 H LEU 23 -8.956 8.439 0.347 169 HA LEU 23 HA LEU 23 -6.799 10.225 1.115 170 1HB LEU 23 1HB LEU 23 -8.208 9.501 -1.466 171 2HB LEU 23 2HB LEU 23 -6.841 10.614 -1.418 172 HG LEU 23 HG LEU 23 -6.712 7.853 -0.196 173 1HD1 LEU 23 1HD1 LEU 23 -7.148 8.201 -2.846 174 2HD1 LEU 23 2HD1 LEU 23 -5.395 8.384 -2.805 175 3HD1 LEU 23 3HD1 LEU 23 -6.141 6.905 -2.202 176 1HD2 LEU 23 1HD2 LEU 23 -5.074 9.852 0.291 177 2HD2 LEU 23 2HD2 LEU 23 -4.411 8.250 -0.034 178 3HD2 LEU 23 3HD2 LEU 23 -4.433 9.471 -1.306 179 HA PRO 24 HA PRO 24 -8.892 14.078 1.208 180 1HB PRO 24 1HB PRO 24 -7.171 15.735 -0.126 181 2HB PRO 24 2HB PRO 24 -6.835 15.097 1.495 182 1HG PRO 24 1HG PRO 24 -5.797 14.202 -1.144 183 2HG PRO 24 2HG PRO 24 -4.972 14.301 0.419 184 1HD PRO 24 1HD PRO 24 -5.919 11.971 -0.655 185 2HD PRO 24 2HD PRO 24 -5.720 12.249 1.090 186 H GLU 25 H GLU 25 -10.528 15.022 0.003 187 HA GLU 25 HA GLU 25 -11.320 14.116 -2.534 188 1HB GLU 25 1HB GLU 25 -11.744 16.766 -1.117 189 2HB GLU 25 2HB GLU 25 -12.679 16.241 -2.518 190 1HG GLU 25 1HG GLU 25 -13.481 14.285 -1.303 191 2HG GLU 25 2HG GLU 25 -12.464 14.691 0.079 192 H ASP 26 H ASP 26 -9.393 17.027 -1.741 193 HA ASP 26 HA ASP 26 -9.112 18.122 -4.319 194 1HB ASP 26 1HB ASP 26 -8.360 19.047 -2.101 195 2HB ASP 26 2HB ASP 26 -7.002 17.922 -2.148 196 H LEU 27 H LEU 27 -7.601 15.272 -2.924 197 HA LEU 27 HA LEU 27 -5.628 15.038 -5.111 198 1HB LEU 27 1HB LEU 27 -4.987 14.417 -2.860 199 2HB LEU 27 2HB LEU 27 -6.389 13.359 -2.702 200 HG LEU 27 HG LEU 27 -5.457 12.066 -4.704 201 1HD1 LEU 27 1HD1 LEU 27 -3.882 13.919 -5.366 202 2HD1 LEU 27 2HD1 LEU 27 -2.926 13.545 -3.932 203 3HD1 LEU 27 3HD1 LEU 27 -3.106 12.343 -5.210 204 1HD2 LEU 27 1HD2 LEU 27 -4.342 12.180 -1.938 205 2HD2 LEU 27 2HD2 LEU 27 -5.182 10.863 -2.755 206 3HD2 LEU 27 3HD2 LEU 27 -3.484 11.182 -3.111 207 H ILE 28 H ILE 28 -8.825 13.894 -4.325 208 HA ILE 28 HA ILE 28 -8.769 11.564 -6.088 209 HB ILE 28 HB ILE 28 -10.972 13.154 -4.737 210 1HG1 ILE 28 1HG1 ILE 28 -9.707 10.483 -4.044 211 2HG1 ILE 28 2HG1 ILE 28 -9.324 12.010 -3.246 212 1HG2 ILE 28 1HG2 ILE 28 -11.012 10.824 -6.577 213 2HG2 ILE 28 2HG2 ILE 28 -12.020 10.688 -5.136 214 3HG2 ILE 28 3HG2 ILE 28 -12.260 12.028 -6.258 215 1HD1 ILE 28 1HD1 ILE 28 -12.185 11.112 -3.432 216 2HD1 ILE 28 2HD1 ILE 28 -11.136 10.429 -2.191 217 3HD1 ILE 28 3HD1 ILE 28 -11.426 12.167 -2.240 218 H LYS 29 H LYS 29 -10.045 14.893 -6.289 219 HA LYS 29 HA LYS 29 -11.170 14.541 -8.949 220 1HB LYS 29 1HB LYS 29 -10.392 17.030 -7.392 221 2HB LYS 29 2HB LYS 29 -11.510 16.968 -8.754 222 1HG LYS 29 1HG LYS 29 -12.800 15.217 -7.324 223 2HG LYS 29 2HG LYS 29 -11.871 15.870 -5.973 224 1HD LYS 29 1HD LYS 29 -12.660 18.186 -6.765 225 2HD LYS 29 2HD LYS 29 -13.830 17.317 -7.759 226 1HE LYS 29 1HE LYS 29 -15.069 16.629 -5.938 227 2HE LYS 29 2HE LYS 29 -13.645 16.524 -4.884 228 1HZ LYS 29 1HZ LYS 29 -13.486 18.936 -4.913 229 2HZ LYS 29 2HZ LYS 29 -14.858 19.039 -5.904 230 3HZ LYS 29 3HZ LYS 29 -15.001 18.451 -4.317 231 H MET 30 H MET 30 -8.011 15.300 -7.690 232 HA MET 30 HA MET 30 -7.061 16.451 -10.247 233 1HB MET 30 1HB MET 30 -6.058 16.044 -7.452 234 2HB MET 30 2HB MET 30 -4.870 16.273 -8.737 235 1HG MET 30 1HG MET 30 -5.938 18.374 -9.394 236 2HG MET 30 2HG MET 30 -7.198 18.136 -8.184 237 1HE MET 30 1HE MET 30 -6.161 20.610 -8.249 238 2HE MET 30 2HE MET 30 -6.749 20.394 -6.603 239 3HE MET 30 3HE MET 30 -5.163 21.121 -6.890 240 H ALA 31 H ALA 31 -6.890 13.435 -8.418 241 HA ALA 31 HA ALA 31 -5.044 12.279 -10.466 242 1HB ALA 31 1HB ALA 31 -5.719 11.819 -7.600 243 2HB ALA 31 2HB ALA 31 -5.268 10.398 -8.542 244 3HB ALA 31 3HB ALA 31 -4.152 11.756 -8.407 245 H ARG 32 H ARG 32 -8.286 12.621 -10.062 246 HA ARG 32 HA ARG 32 -9.304 9.945 -10.375 247 1HB ARG 32 1HB ARG 32 -11.365 11.091 -10.809 248 2HB ARG 32 2HB ARG 32 -10.481 12.106 -9.668 249 1HG ARG 32 1HG ARG 32 -10.608 13.807 -11.134 250 2HG ARG 32 2HG ARG 32 -9.627 12.870 -12.261 251 1HD ARG 32 1HD ARG 32 -11.842 11.679 -12.901 252 2HD ARG 32 2HD ARG 32 -12.638 13.051 -12.102 253 HE ARG 32 HE ARG 32 -11.075 13.185 -14.587 254 1HH1 ARG 32 1HH1 ARG 32 -13.597 14.646 -13.195 255 2HH1 ARG 32 2HH1 ARG 32 -13.040 16.278 -13.345 256 1HH2 ARG 32 1HH2 ARG 32 -9.805 15.376 -14.208 257 2HH2 ARG 32 2HH2 ARG 32 -10.893 16.692 -13.918 258 H ASP 33 H ASP 33 -7.462 11.852 -12.471 259 HA ASP 33 HA ASP 33 -8.172 10.093 -14.765 260 1HB ASP 33 1HB ASP 33 -9.432 12.417 -14.573 261 2HB ASP 33 2HB ASP 33 -7.911 13.052 -15.201 262 H ILE 34 H ILE 34 -5.838 9.875 -13.281 263 HA ILE 34 HA ILE 34 -3.784 11.138 -15.070 264 HB ILE 34 HB ILE 34 -4.054 10.822 -12.115 265 1HG1 ILE 34 1HG1 ILE 34 -2.672 12.851 -13.903 266 2HG1 ILE 34 2HG1 ILE 34 -4.309 13.005 -13.264 267 1HG2 ILE 34 1HG2 ILE 34 -1.406 10.686 -13.591 268 2HG2 ILE 34 2HG2 ILE 34 -1.574 10.972 -11.859 269 3HG2 ILE 34 3HG2 ILE 34 -2.093 9.436 -12.554 270 1HD1 ILE 34 1HD1 ILE 34 -2.965 12.512 -10.967 271 2HD1 ILE 34 2HD1 ILE 34 -1.700 13.331 -11.884 272 3HD1 ILE 34 3HD1 ILE 34 -3.239 14.140 -11.588 273 H LYS 35 H LYS 35 -2.872 9.556 -16.322 274 HA LYS 35 HA LYS 35 -2.938 6.732 -15.442 275 1HB LYS 35 1HB LYS 35 -2.061 8.183 -17.959 276 2HB LYS 35 2HB LYS 35 -2.023 6.428 -17.780 277 1HG LYS 35 1HG LYS 35 -4.119 6.680 -18.730 278 2HG LYS 35 2HG LYS 35 -4.546 6.799 -17.022 279 1HD LYS 35 1HD LYS 35 -4.347 9.281 -17.183 280 2HD LYS 35 2HD LYS 35 -4.044 9.116 -18.913 281 1HE LYS 35 1HE LYS 35 -6.308 7.661 -18.756 282 2HE LYS 35 2HE LYS 35 -6.591 8.775 -17.403 283 1HZ LYS 35 1HZ LYS 35 -5.908 10.605 -18.908 284 2HZ LYS 35 2HZ LYS 35 -5.883 9.498 -20.196 285 3HZ LYS 35 3HZ LYS 35 -7.340 9.834 -19.397 286 HA PRO 36 HA PRO 36 1.278 7.857 -14.007 287 1HB PRO 36 1HB PRO 36 1.229 6.205 -11.826 288 2HB PRO 36 2HB PRO 36 0.570 7.852 -11.805 289 1HG PRO 36 1HG PRO 36 -0.848 5.251 -12.054 290 2HG PRO 36 2HG PRO 36 -1.323 6.718 -11.184 291 1HD PRO 36 1HD PRO 36 -2.344 5.995 -13.614 292 2HD PRO 36 2HD PRO 36 -2.250 7.674 -13.041 293 H ILE 37 H ILE 37 3.042 6.716 -14.763 294 HA ILE 37 HA ILE 37 2.631 4.001 -15.833 295 HB ILE 37 HB ILE 37 5.019 5.876 -15.770 296 1HG1 ILE 37 1HG1 ILE 37 3.422 5.349 -18.231 297 2HG1 ILE 37 2HG1 ILE 37 2.681 6.380 -17.007 298 1HG2 ILE 37 1HG2 ILE 37 5.514 3.427 -16.152 299 2HG2 ILE 37 2HG2 ILE 37 4.488 3.507 -17.583 300 3HG2 ILE 37 3HG2 ILE 37 5.959 4.476 -17.497 301 1HD1 ILE 37 1HD1 ILE 37 5.513 6.844 -17.941 302 2HD1 ILE 37 2HD1 ILE 37 4.137 7.533 -18.803 303 3HD1 ILE 37 3HD1 ILE 37 4.431 7.968 -17.119 304 H VAL 38 H VAL 38 4.090 2.218 -15.243 305 HA VAL 38 HA VAL 38 5.413 2.510 -12.574 306 HB VAL 38 HB VAL 38 3.420 0.412 -13.488 307 1HG1 VAL 38 1HG1 VAL 38 5.259 -0.595 -12.177 308 2HG1 VAL 38 2HG1 VAL 38 4.999 0.596 -10.903 309 3HG1 VAL 38 3HG1 VAL 38 3.751 -0.597 -11.264 310 1HG2 VAL 38 1HG2 VAL 38 3.354 2.790 -11.690 311 2HG2 VAL 38 2HG2 VAL 38 2.078 2.110 -12.699 312 3HG2 VAL 38 3HG2 VAL 38 2.475 1.359 -11.153 313 H GLU 39 H GLU 39 7.515 1.885 -12.877 314 HA GLU 39 HA GLU 39 8.167 -0.031 -15.063 315 1HB GLU 39 1HB GLU 39 9.247 2.278 -14.667 316 2HB GLU 39 2HB GLU 39 10.055 1.528 -13.290 317 1HG GLU 39 1HG GLU 39 11.052 -0.162 -14.756 318 2HG GLU 39 2HG GLU 39 10.198 0.515 -16.144 319 H ILE 40 H ILE 40 8.834 -2.103 -14.592 320 HA ILE 40 HA ILE 40 9.341 -2.772 -11.709 321 HB ILE 40 HB ILE 40 8.202 -4.467 -13.956 322 1HG1 ILE 40 1HG1 ILE 40 6.803 -3.187 -11.586 323 2HG1 ILE 40 2HG1 ILE 40 6.731 -2.570 -13.238 324 1HG2 ILE 40 1HG2 ILE 40 8.779 -4.935 -11.040 325 2HG2 ILE 40 2HG2 ILE 40 7.468 -5.809 -11.833 326 3HG2 ILE 40 3HG2 ILE 40 9.123 -5.980 -12.419 327 1HD1 ILE 40 1HD1 ILE 40 5.890 -4.887 -13.916 328 2HD1 ILE 40 2HD1 ILE 40 5.681 -5.208 -12.195 329 3HD1 ILE 40 3HD1 ILE 40 4.773 -3.908 -12.966 330 H GLN 41 H GLN 41 11.312 -3.715 -11.277 331 HA GLN 41 HA GLN 41 12.850 -4.917 -13.545 332 1HB GLN 41 1HB GLN 41 13.507 -2.551 -13.178 333 2HB GLN 41 2HB GLN 41 13.860 -2.922 -11.490 334 1HG GLN 41 1HG GLN 41 15.571 -4.544 -12.188 335 2HG GLN 41 2HG GLN 41 15.209 -4.210 -13.882 336 1HE2 GLN 41 2HE2 GLN 41 17.088 -3.108 -14.566 337 2HE2 GLN 41 1HE2 GLN 41 17.685 -1.703 -13.824 338 H GLN 42 H GLN 42 11.814 -6.790 -12.138 339 HA GLN 42 HA GLN 42 12.961 -7.344 -9.536 340 1HB GLN 42 1HB GLN 42 11.937 -9.598 -10.008 341 2HB GLN 42 2HB GLN 42 10.822 -8.255 -10.260 342 1HG GLN 42 1HG GLN 42 11.230 -8.311 -12.664 343 2HG GLN 42 2HG GLN 42 12.445 -9.573 -12.455 344 1HE2 GLN 42 2HE2 GLN 42 11.675 -11.675 -12.698 345 2HE2 GLN 42 1HE2 GLN 42 10.052 -12.143 -12.533 346 H LYS 43 H LYS 43 14.331 -9.362 -9.179 347 HA LYS 43 HA LYS 43 16.035 -10.237 -11.412 348 1HB LYS 43 1HB LYS 43 16.879 -8.292 -9.273 349 2HB LYS 43 2HB LYS 43 18.070 -9.375 -9.995 350 1HG LYS 43 1HG LYS 43 17.259 -8.560 -12.265 351 2HG LYS 43 2HG LYS 43 16.359 -7.313 -11.401 352 1HD LYS 43 1HD LYS 43 18.485 -6.565 -10.335 353 2HD LYS 43 2HD LYS 43 19.358 -7.756 -11.301 354 1HE LYS 43 1HE LYS 43 19.120 -6.545 -13.252 355 2HE LYS 43 2HE LYS 43 17.545 -5.886 -12.769 356 1HZ LYS 43 1HZ LYS 43 20.116 -5.184 -11.456 357 2HZ LYS 43 2HZ LYS 43 19.382 -4.237 -12.660 358 3HZ LYS 43 3HZ LYS 43 18.598 -4.475 -11.175 359 H GLY 44 H GLY 44 14.369 -11.753 -9.742 360 1HA GLY 44 1HA GLY 44 15.167 -14.017 -8.965 361 2HA GLY 44 2HA GLY 44 16.345 -13.148 -7.980 362 H ASP 45 H ASP 45 15.697 -12.314 -5.996 363 HA ASP 45 HA ASP 45 12.883 -12.948 -5.180 364 1HB ASP 45 1HB ASP 45 15.578 -12.970 -3.849 365 2HB ASP 45 2HB ASP 45 14.131 -12.776 -2.859 366 H ASP 46 H ASP 46 14.952 -10.378 -5.916 367 HA ASP 46 HA ASP 46 13.658 -8.498 -3.999 368 1HB ASP 46 1HB ASP 46 16.029 -8.415 -5.876 369 2HB ASP 46 2HB ASP 46 15.431 -6.963 -5.073 370 H PHE 47 H PHE 47 12.634 -6.549 -4.831 371 HA PHE 47 HA PHE 47 11.911 -6.607 -7.733 372 1HB PHE 47 1HB PHE 47 10.236 -7.012 -5.337 373 2HB PHE 47 2HB PHE 47 9.588 -5.837 -6.482 374 HD1 PHE 47 HD1 PHE 47 11.245 -9.209 -6.497 375 HD2 PHE 47 HD2 PHE 47 8.271 -6.636 -8.227 376 HE1 PHE 47 HE1 PHE 47 10.509 -11.056 -7.979 377 HE2 PHE 47 HE2 PHE 47 7.535 -8.484 -9.709 378 HZ PHE 47 HZ PHE 47 8.653 -10.694 -9.585 379 H VAL 48 H VAL 48 11.912 -4.557 -8.627 380 HA VAL 48 HA VAL 48 12.069 -2.228 -6.738 381 HB VAL 48 HB VAL 48 13.452 -2.690 -9.403 382 1HG1 VAL 48 1HG1 VAL 48 13.462 -0.410 -7.419 383 2HG1 VAL 48 2HG1 VAL 48 14.778 -0.651 -8.570 384 3HG1 VAL 48 3HG1 VAL 48 13.141 -0.346 -9.152 385 1HG2 VAL 48 1HG2 VAL 48 14.525 -2.687 -6.562 386 2HG2 VAL 48 2HG2 VAL 48 14.340 -4.110 -7.587 387 3HG2 VAL 48 3HG2 VAL 48 15.499 -2.853 -8.022 388 H VAL 49 H VAL 49 10.091 -1.214 -6.952 389 HA VAL 49 HA VAL 49 8.936 -0.940 -9.705 390 HB VAL 49 HB VAL 49 7.698 -0.772 -6.936 391 1HG1 VAL 49 1HG1 VAL 49 6.673 -0.262 -9.696 392 2HG1 VAL 49 2HG1 VAL 49 5.603 -1.094 -8.566 393 3HG1 VAL 49 3HG1 VAL 49 6.228 0.508 -8.172 394 1HG2 VAL 49 1HG2 VAL 49 8.250 -2.966 -8.801 395 2HG2 VAL 49 2HG2 VAL 49 7.784 -3.031 -7.101 396 3HG2 VAL 49 3HG2 VAL 49 6.548 -2.867 -8.348 397 H THR 50 H THR 50 8.748 1.117 -10.540 398 HA THR 50 HA THR 50 9.158 3.432 -8.675 399 HB THR 50 HB THR 50 10.227 3.063 -11.493 400 HG1 THR 50 HG1 THR 50 11.477 2.882 -8.955 401 1HG2 THR 50 1HG2 THR 50 11.716 5.021 -10.385 402 2HG2 THR 50 2HG2 THR 50 10.237 5.344 -11.289 403 3HG2 THR 50 3HG2 THR 50 10.199 5.291 -9.527 404 H SER 51 H SER 51 7.103 4.332 -8.651 405 HA SER 51 HA SER 51 5.453 4.388 -11.098 406 1HB SER 51 1HB SER 51 5.107 5.328 -8.238 407 2HB SER 51 2HB SER 51 3.858 5.500 -9.467 408 HG SER 51 HG SER 51 3.364 3.516 -9.017 409 H LYS 52 H LYS 52 5.208 6.193 -12.394 410 HA LYS 52 HA LYS 52 6.420 8.767 -11.439 411 1HB LYS 52 1HB LYS 52 6.635 7.286 -14.068 412 2HB LYS 52 2HB LYS 52 7.039 8.997 -13.928 413 1HG LYS 52 1HG LYS 52 8.659 8.439 -12.122 414 2HG LYS 52 2HG LYS 52 8.296 6.728 -12.357 415 1HD LYS 52 1HD LYS 52 9.319 8.551 -14.551 416 2HD LYS 52 2HD LYS 52 10.355 7.504 -13.580 417 1HE LYS 52 1HE LYS 52 8.479 5.697 -14.352 418 2HE LYS 52 2HE LYS 52 8.466 6.784 -15.755 419 1HZ LYS 52 1HZ LYS 52 10.953 5.761 -14.498 420 2HZ LYS 52 2HZ LYS 52 10.215 5.020 -15.838 421 3HZ LYS 52 3HZ LYS 52 10.810 6.603 -15.967 422 H THR 53 H THR 53 4.730 10.191 -11.241 423 HA THR 53 HA THR 53 2.408 9.951 -13.104 424 HB THR 53 HB THR 53 2.037 11.899 -11.053 425 HG1 THR 53 HG1 THR 53 3.053 9.433 -10.095 426 1HG2 THR 53 1HG2 THR 53 1.058 9.060 -10.901 427 2HG2 THR 53 2HG2 THR 53 0.208 10.549 -10.491 428 3HG2 THR 53 3HG2 THR 53 0.484 10.128 -12.181 429 HA PRO 54 HA PRO 54 3.367 13.710 -15.148 430 1HB PRO 54 1HB PRO 54 0.932 14.947 -15.334 431 2HB PRO 54 2HB PRO 54 1.362 13.513 -16.287 432 1HG PRO 54 1HG PRO 54 -0.290 13.723 -13.823 433 2HG PRO 54 2HG PRO 54 -0.504 12.685 -15.240 434 1HD PRO 54 1HD PRO 54 0.544 11.821 -12.867 435 2HD PRO 54 2HD PRO 54 0.915 11.082 -14.441 436 H ARG 55 H ARG 55 1.770 13.889 -12.048 437 HA ARG 55 HA ARG 55 2.441 16.777 -11.752 438 1HB ARG 55 1HB ARG 55 0.825 14.782 -10.137 439 2HB ARG 55 2HB ARG 55 1.064 16.461 -9.654 440 1HG ARG 55 1HG ARG 55 -0.018 17.256 -11.676 441 2HG ARG 55 2HG ARG 55 -0.128 15.613 -12.308 442 1HD ARG 55 1HD ARG 55 -2.275 15.898 -11.406 443 2HD ARG 55 2HD ARG 55 -1.425 15.172 -10.027 444 HE ARG 55 HE ARG 55 -2.102 18.048 -10.312 445 1HH1 ARG 55 1HH1 ARG 55 -2.730 16.168 -7.961 446 2HH1 ARG 55 2HH1 ARG 55 -1.602 16.745 -6.780 447 1HH2 ARG 55 1HH2 ARG 55 0.306 18.509 -9.076 448 2HH2 ARG 55 2HH2 ARG 55 0.117 18.070 -7.412 449 H GLN 56 H GLN 56 3.500 13.608 -10.783 450 HA GLN 56 HA GLN 56 5.876 14.692 -9.490 451 1HB GLN 56 1HB GLN 56 5.302 13.861 -7.233 452 2HB GLN 56 2HB GLN 56 4.127 15.059 -7.775 453 1HG GLN 56 1HG GLN 56 2.565 13.311 -8.419 454 2HG GLN 56 2HG GLN 56 3.752 12.064 -8.042 455 1HE2 GLN 56 2HE2 GLN 56 1.308 14.133 -6.683 456 2HE2 GLN 56 1HE2 GLN 56 1.517 13.663 -5.065 457 H THR 57 H THR 57 7.337 12.923 -8.803 458 HA THR 57 HA THR 57 6.565 10.249 -9.925 459 HB THR 57 HB THR 57 9.052 10.202 -10.599 460 HG1 THR 57 HG1 THR 57 9.680 11.972 -9.327 461 1HG2 THR 57 1HG2 THR 57 7.716 12.432 -12.057 462 2HG2 THR 57 2HG2 THR 57 8.477 10.972 -12.689 463 3HG2 THR 57 3HG2 THR 57 6.863 10.890 -11.983 464 H VAL 58 H VAL 58 7.017 8.547 -8.554 465 HA VAL 58 HA VAL 58 8.853 9.055 -6.238 466 HB VAL 58 HB VAL 58 6.154 7.661 -6.251 467 1HG1 VAL 58 1HG1 VAL 58 8.321 8.010 -4.207 468 2HG1 VAL 58 2HG1 VAL 58 6.641 8.007 -3.671 469 3HG1 VAL 58 3HG1 VAL 58 7.298 6.608 -4.522 470 1HG2 VAL 58 1HG2 VAL 58 7.045 10.333 -5.117 471 2HG2 VAL 58 2HG2 VAL 58 5.943 10.096 -6.474 472 3HG2 VAL 58 3HG2 VAL 58 5.463 9.602 -4.850 473 H THR 59 H THR 59 10.376 7.452 -6.042 474 HA THR 59 HA THR 59 9.944 4.916 -7.579 475 HB THR 59 HB THR 59 12.471 6.291 -6.604 476 HG1 THR 59 HG1 THR 59 11.895 7.505 -8.244 477 1HG2 THR 59 1HG2 THR 59 12.585 4.320 -8.791 478 2HG2 THR 59 2HG2 THR 59 13.659 4.532 -7.409 479 3HG2 THR 59 3HG2 THR 59 12.148 3.642 -7.223 480 H ASN 60 H ASN 60 10.033 2.970 -6.464 481 HA ASN 60 HA ASN 60 10.876 3.042 -3.589 482 1HB ASN 60 1HB ASN 60 8.408 1.753 -4.804 483 2HB ASN 60 2HB ASN 60 8.877 1.652 -3.107 484 1HD2 ASN 60 2HD2 ASN 60 6.389 2.844 -3.895 485 2HD2 ASN 60 1HD2 ASN 60 6.458 4.503 -3.545 486 H SER 61 H SER 61 11.602 0.944 -2.795 487 HA SER 61 HA SER 61 11.917 -1.240 -4.777 488 1HB SER 61 1HB SER 61 14.248 0.113 -3.384 489 2HB SER 61 2HB SER 61 14.351 -1.213 -4.539 490 HG SER 61 HG SER 61 13.709 1.490 -4.936 491 H PHE 62 H PHE 62 11.540 -3.130 -3.690 492 HA PHE 62 HA PHE 62 12.373 -3.333 -0.825 493 1HB PHE 62 1HB PHE 62 10.139 -4.351 -0.369 494 2HB PHE 62 2HB PHE 62 10.008 -2.681 -0.922 495 HD1 PHE 62 HD1 PHE 62 9.666 -6.232 -1.935 496 HD2 PHE 62 HD2 PHE 62 9.002 -2.133 -3.035 497 HE1 PHE 62 HE1 PHE 62 8.253 -6.971 -3.834 498 HE2 PHE 62 HE2 PHE 62 7.589 -2.873 -4.936 499 HZ PHE 62 HZ PHE 62 7.214 -5.291 -5.335 500 H THR 63 H THR 63 12.016 -5.766 -0.135 501 HA THR 63 HA THR 63 12.891 -7.518 -2.411 502 HB THR 63 HB THR 63 13.643 -7.574 0.530 503 HG1 THR 63 HG1 THR 63 15.202 -6.899 -1.736 504 1HG2 THR 63 1HG2 THR 63 14.818 -9.125 -1.790 505 2HG2 THR 63 2HG2 THR 63 15.219 -9.299 -0.082 506 3HG2 THR 63 3HG2 THR 63 13.629 -9.789 -0.670 507 H LEU 64 H LEU 64 11.985 -9.622 -2.472 508 HA LEU 64 HA LEU 64 9.409 -9.945 -1.110 509 1HB LEU 64 1HB LEU 64 11.066 -11.607 -3.029 510 2HB LEU 64 2HB LEU 64 9.464 -12.091 -2.470 511 HG LEU 64 HG LEU 64 9.864 -9.352 -3.638 512 1HD1 LEU 64 1HD1 LEU 64 9.835 -11.980 -5.079 513 2HD1 LEU 64 2HD1 LEU 64 9.002 -10.607 -5.807 514 3HD1 LEU 64 3HD1 LEU 64 10.728 -10.506 -5.459 515 1HD2 LEU 64 1HD2 LEU 64 7.619 -11.298 -3.185 516 2HD2 LEU 64 2HD2 LEU 64 7.705 -9.585 -2.775 517 3HD2 LEU 64 3HD2 LEU 64 7.466 -10.080 -4.451 518 H GLY 65 H GLY 65 9.212 -10.900 0.874 519 1HA GLY 65 1HA GLY 65 9.565 -12.868 2.297 520 2HA GLY 65 2HA GLY 65 11.196 -12.997 1.635 521 H LYS 66 H LYS 66 10.600 -9.770 2.117 522 HA LYS 66 HA LYS 66 11.421 -9.772 4.981 523 1HB LYS 66 1HB LYS 66 13.402 -9.897 3.369 524 2HB LYS 66 2HB LYS 66 12.935 -8.289 2.816 525 1HG LYS 66 1HG LYS 66 12.995 -7.618 5.309 526 2HG LYS 66 2HG LYS 66 13.882 -9.123 5.557 527 1HD LYS 66 1HD LYS 66 14.730 -7.154 3.435 528 2HD LYS 66 2HD LYS 66 15.259 -6.971 5.109 529 1HE LYS 66 1HE LYS 66 16.191 -9.276 5.057 530 2HE LYS 66 2HE LYS 66 15.712 -9.412 3.353 531 1HZ LYS 66 1HZ LYS 66 17.392 -7.208 4.416 532 2HZ LYS 66 2HZ LYS 66 18.034 -8.606 3.697 533 3HZ LYS 66 3HZ LYS 66 17.058 -7.551 2.790 534 H GLU 67 H GLU 67 10.905 -7.791 6.036 535 HA GLU 67 HA GLU 67 8.753 -6.240 4.880 536 1HB GLU 67 1HB GLU 67 9.075 -6.761 7.294 537 2HB GLU 67 2HB GLU 67 10.516 -5.745 7.302 538 1HG GLU 67 1HG GLU 67 9.175 -3.792 6.677 539 2HG GLU 67 2HG GLU 67 7.725 -4.794 6.589 540 H ALA 68 H ALA 68 8.908 -4.386 3.667 541 HA ALA 68 HA ALA 68 11.514 -2.902 3.672 542 1HB ALA 68 1HB ALA 68 10.902 -4.553 1.712 543 2HB ALA 68 2HB ALA 68 9.833 -3.247 1.202 544 3HB ALA 68 3HB ALA 68 11.569 -2.964 1.331 545 H ASP 69 H ASP 69 11.291 -0.642 3.542 546 HA ASP 69 HA ASP 69 8.721 0.496 4.275 547 1HB ASP 69 1HB ASP 69 10.064 2.620 4.089 548 2HB ASP 69 2HB ASP 69 10.832 1.388 5.093 549 H ILE 70 H ILE 70 7.282 1.639 2.956 550 HA ILE 70 HA ILE 70 8.006 1.967 0.070 551 HB ILE 70 HB ILE 70 5.761 0.477 1.383 552 1HG1 ILE 70 1HG1 ILE 70 7.661 -0.745 0.416 553 2HG1 ILE 70 2HG1 ILE 70 6.203 -1.054 -0.527 554 1HG2 ILE 70 1HG2 ILE 70 4.751 2.337 -0.004 555 2HG2 ILE 70 2HG2 ILE 70 5.563 1.642 -1.407 556 3HG2 ILE 70 3HG2 ILE 70 4.335 0.711 -0.548 557 1HD1 ILE 70 1HD1 ILE 70 7.004 0.985 -1.958 558 2HD1 ILE 70 2HD1 ILE 70 8.575 0.658 -1.227 559 3HD1 ILE 70 3HD1 ILE 70 7.778 -0.582 -2.196 560 H THR 71 H THR 71 7.191 3.870 -0.840 561 HA THR 71 HA THR 71 5.616 5.645 0.996 562 HB THR 71 HB THR 71 7.868 6.436 0.517 563 HG1 THR 71 HG1 THR 71 7.324 8.398 -0.372 564 1HG2 THR 71 1HG2 THR 71 8.518 6.875 -1.876 565 2HG2 THR 71 2HG2 THR 71 8.362 5.165 -1.475 566 3HG2 THR 71 3HG2 THR 71 7.080 5.982 -2.370 567 H THR 72 H THR 72 3.626 6.319 0.263 568 HA THR 72 HA THR 72 2.646 5.329 -2.327 569 HB THR 72 HB THR 72 0.921 7.154 -0.847 570 HG1 THR 72 HG1 THR 72 0.909 5.486 0.947 571 1HG2 THR 72 1HG2 THR 72 -0.246 4.789 -0.571 572 2HG2 THR 72 2HG2 THR 72 -0.214 5.601 -2.136 573 3HG2 THR 72 3HG2 THR 72 0.940 4.313 -1.787 574 H MET 73 H MET 73 1.626 6.811 -3.903 575 HA MET 73 HA MET 73 3.276 9.082 -4.557 576 1HB MET 73 1HB MET 73 1.674 7.429 -5.916 577 2HB MET 73 2HB MET 73 0.513 8.729 -5.646 578 1HG MET 73 1HG MET 73 2.179 10.345 -6.583 579 2HG MET 73 2HG MET 73 3.229 8.981 -6.966 580 1HE MET 73 1HE MET 73 2.153 6.797 -8.167 581 2HE MET 73 2HE MET 73 0.582 6.966 -7.371 582 3HE MET 73 3HE MET 73 0.674 6.833 -9.125 583 H ASP 74 H ASP 74 0.472 8.695 -2.551 584 HA ASP 74 HA ASP 74 -0.376 11.504 -2.708 585 1HB ASP 74 1HB ASP 74 -1.990 10.745 -1.003 586 2HB ASP 74 2HB ASP 74 -1.920 9.595 -2.339 587 H GLY 75 H GLY 75 2.019 9.736 -1.008 588 1HA GLY 75 1HA GLY 75 3.686 10.957 0.310 589 2HA GLY 75 2HA GLY 75 2.407 12.057 0.826 590 H LYS 76 H LYS 76 1.885 8.597 0.721 591 HA LYS 76 HA LYS 76 1.557 8.622 3.687 592 1HB LYS 76 1HB LYS 76 0.304 7.357 1.359 593 2HB LYS 76 2HB LYS 76 0.628 6.211 2.660 594 1HG LYS 76 1HG LYS 76 -0.478 7.809 4.255 595 2HG LYS 76 2HG LYS 76 -0.933 8.800 2.869 596 1HD LYS 76 1HD LYS 76 -2.261 7.018 1.934 597 2HD LYS 76 2HD LYS 76 -1.660 5.871 3.132 598 1HE LYS 76 1HE LYS 76 -2.876 8.290 4.310 599 2HE LYS 76 2HE LYS 76 -4.009 7.267 3.403 600 1HZ LYS 76 1HZ LYS 76 -2.926 5.335 4.581 601 2HZ LYS 76 2HZ LYS 76 -2.207 6.468 5.618 602 3HZ LYS 76 3HZ LYS 76 -3.899 6.336 5.550 603 H LYS 77 H LYS 77 2.946 7.441 4.970 604 HA LYS 77 HA LYS 77 5.001 5.754 3.588 605 1HB LYS 77 1HB LYS 77 4.941 7.275 6.211 606 2HB LYS 77 2HB LYS 77 6.275 6.229 5.725 607 1HG LYS 77 1HG LYS 77 6.623 7.585 3.704 608 2HG LYS 77 2HG LYS 77 5.269 8.621 4.155 609 1HD LYS 77 1HD LYS 77 7.535 8.200 6.086 610 2HD LYS 77 2HD LYS 77 7.703 9.367 4.774 611 1HE LYS 77 1HE LYS 77 5.622 10.501 5.525 612 2HE LYS 77 2HE LYS 77 5.506 9.355 6.875 613 1HZ LYS 77 1HZ LYS 77 7.916 10.994 6.318 614 2HZ LYS 77 2HZ LYS 77 6.709 11.459 7.418 615 3HZ LYS 77 3HZ LYS 77 7.608 10.049 7.695 616 H LEU 78 H LEU 78 5.037 3.580 4.061 617 HA LEU 78 HA LEU 78 4.040 2.534 6.610 618 1HB LEU 78 1HB LEU 78 2.189 1.270 5.561 619 2HB LEU 78 2HB LEU 78 1.972 3.006 5.332 620 HG LEU 78 HG LEU 78 3.572 1.806 3.204 621 1HD1 LEU 78 1HD1 LEU 78 1.159 0.416 4.088 622 2HD1 LEU 78 2HD1 LEU 78 1.036 0.967 2.417 623 3HD1 LEU 78 3HD1 LEU 78 2.367 -0.083 2.904 624 1HD2 LEU 78 1HD2 LEU 78 0.996 3.402 3.335 625 2HD2 LEU 78 2HD2 LEU 78 2.615 4.032 3.031 626 3HD2 LEU 78 3HD2 LEU 78 1.831 3.000 1.835 627 H LYS 79 H LYS 79 4.396 0.169 6.740 628 HA LYS 79 HA LYS 79 6.541 -0.717 4.855 629 1HB LYS 79 1HB LYS 79 5.747 -1.840 7.556 630 2HB LYS 79 2HB LYS 79 7.270 -2.085 6.700 631 1HG LYS 79 1HG LYS 79 7.923 0.196 7.017 632 2HG LYS 79 2HG LYS 79 6.310 0.648 7.571 633 1HD LYS 79 1HD LYS 79 6.643 -0.989 9.494 634 2HD LYS 79 2HD LYS 79 8.334 -1.087 9.002 635 1HE LYS 79 1HE LYS 79 7.091 1.622 9.428 636 2HE LYS 79 2HE LYS 79 7.649 0.681 10.826 637 1HZ LYS 79 1HZ LYS 79 9.756 0.313 9.563 638 2HZ LYS 79 2HZ LYS 79 9.225 1.464 8.436 639 3HZ LYS 79 3HZ LYS 79 9.502 1.921 10.048 640 H CYS 80 H CYS 80 6.493 -3.030 4.213 641 HA CYS 80 HA CYS 80 4.114 -4.648 4.612 642 1HB CYS 80 1HB CYS 80 3.283 -4.412 2.277 643 2HB CYS 80 2HB CYS 80 3.221 -2.880 3.149 644 HG CYS 80 HG CYS 80 5.771 -3.355 1.465 645 H THR 81 H THR 81 4.595 -6.769 4.046 646 HA THR 81 HA THR 81 7.270 -7.265 2.840 647 HB THR 81 HB THR 81 5.292 -9.176 4.118 648 HG1 THR 81 HG1 THR 81 5.918 -8.446 5.978 649 1HG2 THR 81 1HG2 THR 81 7.732 -10.148 4.685 650 2HG2 THR 81 2HG2 THR 81 6.874 -10.565 3.203 651 3HG2 THR 81 3HG2 THR 81 8.114 -9.311 3.180 652 H VAL 82 H VAL 82 6.943 -7.101 0.588 653 HA VAL 82 HA VAL 82 4.630 -8.133 -0.795 654 HB VAL 82 HB VAL 82 7.456 -7.561 -1.750 655 1HG1 VAL 82 1HG1 VAL 82 5.978 -8.850 -3.323 656 2HG1 VAL 82 2HG1 VAL 82 4.831 -7.510 -3.268 657 3HG1 VAL 82 3HG1 VAL 82 6.446 -7.263 -3.936 658 1HG2 VAL 82 1HG2 VAL 82 5.782 -5.800 -0.497 659 2HG2 VAL 82 2HG2 VAL 82 6.964 -5.333 -1.720 660 3HG2 VAL 82 3HG2 VAL 82 5.282 -5.600 -2.176 661 H HIS 83 H HIS 83 4.314 -10.159 -1.737 662 HA HIS 83 HA HIS 83 6.553 -12.122 -1.721 663 1HB HIS 83 1HB HIS 83 5.105 -13.728 -0.504 664 2HB HIS 83 2HB HIS 83 5.397 -12.277 0.456 665 HD1 HIS 83 HD1 HIS 83 3.350 -11.190 1.371 666 HD2 HIS 83 HD2 HIS 83 2.489 -13.474 -2.009 667 HE1 HIS 83 HE1 HIS 83 0.838 -11.090 1.059 668 H LEU 84 H LEU 84 6.153 -13.912 -3.177 669 HA LEU 84 HA LEU 84 4.138 -13.283 -5.276 670 1HB LEU 84 1HB LEU 84 6.672 -14.897 -5.053 671 2HB LEU 84 2HB LEU 84 5.566 -15.175 -6.398 672 HG LEU 84 HG LEU 84 6.495 -12.395 -5.691 673 1HD1 LEU 84 1HD1 LEU 84 8.347 -14.229 -6.234 674 2HD1 LEU 84 2HD1 LEU 84 7.802 -13.949 -7.888 675 3HD1 LEU 84 3HD1 LEU 84 8.438 -12.612 -6.931 676 1HD2 LEU 84 1HD2 LEU 84 5.080 -13.765 -7.939 677 2HD2 LEU 84 2HD2 LEU 84 4.787 -12.176 -7.233 678 3HD2 LEU 84 3HD2 LEU 84 6.137 -12.412 -8.344 679 H ALA 85 H ALA 85 2.306 -14.520 -5.458 680 HA ALA 85 HA ALA 85 2.308 -17.284 -4.324 681 1HB ALA 85 1HB ALA 85 1.444 -15.420 -2.753 682 2HB ALA 85 2HB ALA 85 0.073 -15.304 -3.856 683 3HB ALA 85 3HB ALA 85 0.390 -16.813 -2.999 684 H ASN 86 H ASN 86 0.972 -18.704 -5.489 685 HA ASN 86 HA ASN 86 -0.286 -19.472 -7.338 686 1HB ASN 86 1HB ASN 86 -1.457 -16.898 -6.402 687 2HB ASN 86 2HB ASN 86 -2.014 -17.492 -7.967 688 1HD2 ASN 86 2HD2 ASN 86 -1.205 -19.089 -4.822 689 2HD2 ASN 86 1HD2 ASN 86 -2.645 -19.983 -4.743 690 H GLY 87 H GLY 87 2.122 -17.390 -7.628 691 1HA GLY 87 1HA GLY 87 3.373 -16.875 -9.584 692 2HA GLY 87 2HA GLY 87 1.993 -17.371 -10.564 693 H LYS 88 H LYS 88 2.276 -14.935 -7.965 694 HA LYS 88 HA LYS 88 2.071 -12.675 -9.771 695 1HB LYS 88 1HB LYS 88 -0.234 -12.222 -9.616 696 2HB LYS 88 2HB LYS 88 -0.200 -13.977 -9.776 697 1HG LYS 88 1HG LYS 88 0.074 -13.596 -7.044 698 2HG LYS 88 2HG LYS 88 -1.067 -12.334 -7.511 699 1HD LYS 88 1HD LYS 88 -2.420 -14.057 -8.711 700 2HD LYS 88 2HD LYS 88 -1.320 -15.296 -8.108 701 1HE LYS 88 1HE LYS 88 -2.070 -15.085 -5.910 702 2HE LYS 88 2HE LYS 88 -2.592 -13.405 -6.145 703 1HZ LYS 88 1HZ LYS 88 -4.284 -14.223 -7.706 704 2HZ LYS 88 2HZ LYS 88 -3.838 -15.822 -7.344 705 3HZ LYS 88 3HZ LYS 88 -4.515 -14.839 -6.139 706 H LEU 89 H LEU 89 2.745 -10.881 -8.630 707 HA LEU 89 HA LEU 89 3.594 -11.041 -5.913 708 1HB LEU 89 1HB LEU 89 4.243 -9.461 -7.858 709 2HB LEU 89 2HB LEU 89 2.836 -8.509 -7.378 710 HG LEU 89 HG LEU 89 4.525 -9.280 -5.110 711 1HD1 LEU 89 1HD1 LEU 89 6.207 -8.976 -6.996 712 2HD1 LEU 89 2HD1 LEU 89 5.665 -7.301 -7.097 713 3HD1 LEU 89 3HD1 LEU 89 6.418 -7.898 -5.617 714 1HD2 LEU 89 1HD2 LEU 89 3.275 -6.766 -6.225 715 2HD2 LEU 89 2HD2 LEU 89 2.849 -7.640 -4.753 716 3HD2 LEU 89 3HD2 LEU 89 4.349 -6.715 -4.828 717 H VAL 90 H VAL 90 2.612 -10.300 -3.989 718 HA VAL 90 HA VAL 90 -0.079 -9.071 -4.104 719 HB VAL 90 HB VAL 90 0.532 -11.806 -2.935 720 1HG1 VAL 90 1HG1 VAL 90 -1.030 -10.237 -1.598 721 2HG1 VAL 90 2HG1 VAL 90 -2.153 -10.424 -2.944 722 3HG1 VAL 90 3HG1 VAL 90 -1.648 -11.835 -2.014 723 1HG2 VAL 90 1HG2 VAL 90 -0.680 -10.809 -5.426 724 2HG2 VAL 90 2HG2 VAL 90 -0.029 -12.406 -5.055 725 3HG2 VAL 90 3HG2 VAL 90 -1.677 -11.992 -4.580 726 H THR 91 H THR 91 0.362 -7.356 -2.743 727 HA THR 91 HA THR 91 1.951 -7.859 -0.264 728 HB THR 91 HB THR 91 1.073 -5.325 -1.691 729 HG1 THR 91 HG1 THR 91 3.539 -6.717 -1.552 730 1HG2 THR 91 1HG2 THR 91 3.199 -5.547 0.433 731 2HG2 THR 91 2HG2 THR 91 2.368 -4.104 -0.146 732 3HG2 THR 91 3HG2 THR 91 1.511 -5.270 0.861 733 H LYS 92 H LYS 92 0.476 -8.604 1.278 734 HA LYS 92 HA LYS 92 -2.128 -7.178 1.567 735 1HB LYS 92 1HB LYS 92 -2.697 -9.134 2.941 736 2HB LYS 92 2HB LYS 92 -2.014 -9.664 1.404 737 1HG LYS 92 1HG LYS 92 0.197 -9.926 2.484 738 2HG LYS 92 2HG LYS 92 -0.501 -9.423 4.023 739 1HD LYS 92 1HD LYS 92 -2.217 -11.360 3.554 740 2HD LYS 92 2HD LYS 92 -0.951 -11.961 2.483 741 1HE LYS 92 1HE LYS 92 -0.302 -11.154 5.322 742 2HE LYS 92 2HE LYS 92 -0.903 -12.781 4.946 743 1HZ LYS 92 1HZ LYS 92 0.823 -12.859 3.163 744 2HZ LYS 92 2HZ LYS 92 1.483 -11.431 3.806 745 3HZ LYS 92 3HZ LYS 92 1.450 -12.851 4.740 746 H SER 93 H SER 93 -2.757 -6.400 3.703 747 HA SER 93 HA SER 93 -0.595 -6.156 5.734 748 1HB SER 93 1HB SER 93 -0.177 -4.188 4.533 749 2HB SER 93 2HB SER 93 -1.871 -3.980 4.097 750 HG SER 93 HG SER 93 -0.709 -2.720 5.961 751 H GLU 94 H GLU 94 -1.884 -4.323 7.397 752 HA GLU 94 HA GLU 94 -4.277 -5.897 8.241 753 1HB GLU 94 1HB GLU 94 -2.358 -5.599 9.786 754 2HB GLU 94 2HB GLU 94 -2.552 -3.849 9.675 755 1HG GLU 94 1HG GLU 94 -4.937 -4.178 10.492 756 2HG GLU 94 2HG GLU 94 -4.497 -5.848 10.847 757 H LYS 95 H LYS 95 -4.407 -3.899 6.052 758 HA LYS 95 HA LYS 95 -6.776 -2.481 6.858 759 1HB LYS 95 1HB LYS 95 -5.935 -0.340 7.315 760 2HB LYS 95 2HB LYS 95 -4.707 -1.372 8.049 761 1HG LYS 95 1HG LYS 95 -3.728 -1.242 5.537 762 2HG LYS 95 2HG LYS 95 -4.546 0.319 5.611 763 1HD LYS 95 1HD LYS 95 -2.648 -0.647 7.762 764 2HD LYS 95 2HD LYS 95 -2.129 0.337 6.393 765 1HE LYS 95 1HE LYS 95 -3.750 2.099 7.047 766 2HE LYS 95 2HE LYS 95 -4.232 1.118 8.446 767 1HZ LYS 95 1HZ LYS 95 -1.876 1.059 9.113 768 2HZ LYS 95 2HZ LYS 95 -1.502 2.129 7.848 769 3HZ LYS 95 3HZ LYS 95 -2.507 2.635 9.117 770 H PHE 96 H PHE 96 -4.831 -3.750 4.584 771 HA PHE 96 HA PHE 96 -6.357 -2.804 2.347 772 1HB PHE 96 1HB PHE 96 -4.857 -1.211 1.392 773 2HB PHE 96 2HB PHE 96 -4.963 -0.776 3.098 774 HD1 PHE 96 HD1 PHE 96 -3.023 -3.249 1.034 775 HD2 PHE 96 HD2 PHE 96 -2.932 -0.218 4.077 776 HE1 PHE 96 HE1 PHE 96 -0.573 -3.556 1.267 777 HE2 PHE 96 HE2 PHE 96 -0.482 -0.525 4.310 778 HZ PHE 96 HZ PHE 96 0.697 -2.193 2.905 779 H SER 97 H SER 97 -5.932 -4.127 0.564 780 HA SER 97 HA SER 97 -3.576 -5.972 0.806 781 1HB SER 97 1HB SER 97 -6.410 -6.352 -0.193 782 2HB SER 97 2HB SER 97 -5.138 -7.536 -0.473 783 HG SER 97 HG SER 97 -6.482 -7.809 1.473 784 H HIS 98 H HIS 98 -2.612 -6.630 -1.253 785 HA HIS 98 HA HIS 98 -3.338 -4.941 -3.610 786 1HB HIS 98 1HB HIS 98 -1.515 -3.914 -2.204 787 2HB HIS 98 2HB HIS 98 -0.536 -5.348 -2.519 788 HD2 HIS 98 HD2 HIS 98 -1.147 -1.953 -4.132 789 HE1 HIS 98 HE1 HIS 98 0.292 -4.429 -7.250 790 HE2 HIS 98 HE2 HIS 98 -0.222 -2.063 -6.550 791 H GLU 99 H GLU 99 -2.992 -6.003 -5.587 792 HA GLU 99 HA GLU 99 -1.404 -8.484 -5.701 793 1HB GLU 99 1HB GLU 99 -3.637 -9.077 -4.710 794 2HB GLU 99 2HB GLU 99 -4.399 -8.489 -6.188 795 1HG GLU 99 1HG GLU 99 -2.683 -10.128 -7.354 796 2HG GLU 99 2HG GLU 99 -2.692 -10.918 -5.777 797 H GLN 100 H GLN 100 -0.356 -8.250 -7.635 798 HA GLN 100 HA GLN 100 -1.886 -7.077 -9.937 799 1HB GLN 100 1HB GLN 100 -0.205 -5.538 -9.078 800 2HB GLN 100 2HB GLN 100 1.021 -6.805 -9.111 801 1HG GLN 100 1HG GLN 100 0.840 -6.953 -11.552 802 2HG GLN 100 2HG GLN 100 -0.436 -5.736 -11.547 803 1HE2 GLN 100 2HE2 GLN 100 2.513 -5.671 -9.522 804 2HE2 GLN 100 1HE2 GLN 100 3.152 -4.260 -10.217 805 H GLU 101 H GLU 101 -1.217 -7.922 -12.060 806 HA GLU 101 HA GLU 101 0.513 -10.309 -12.139 807 1HB GLU 101 1HB GLU 101 -1.774 -10.999 -11.285 808 2HB GLU 101 2HB GLU 101 -2.432 -10.488 -12.841 809 1HG GLU 101 1HG GLU 101 -1.181 -12.135 -14.026 810 2HG GLU 101 2HG GLU 101 -0.160 -12.470 -12.628 811 H VAL 102 H VAL 102 1.042 -10.891 -14.334 812 HA VAL 102 HA VAL 102 0.182 -8.865 -16.376 813 HB VAL 102 HB VAL 102 2.560 -8.811 -15.558 814 1HG1 VAL 102 1HG1 VAL 102 2.291 -11.617 -15.857 815 2HG1 VAL 102 2HG1 VAL 102 3.478 -11.097 -17.053 816 3HG1 VAL 102 3HG1 VAL 102 3.724 -10.725 -15.346 817 1HG2 VAL 102 1HG2 VAL 102 1.898 -8.081 -17.864 818 2HG2 VAL 102 2HG2 VAL 102 3.551 -8.689 -17.780 819 3HG2 VAL 102 3HG2 VAL 102 2.271 -9.704 -18.443 820 H LYS 103 H LYS 103 -0.477 -9.663 -18.393 821 HA LYS 103 HA LYS 103 -0.444 -12.643 -18.745 822 1HB LYS 103 1HB LYS 103 -2.656 -10.616 -19.193 823 2HB LYS 103 2HB LYS 103 -2.740 -12.285 -19.759 824 1HG LYS 103 1HG LYS 103 -2.367 -13.049 -17.404 825 2HG LYS 103 2HG LYS 103 -2.452 -11.366 -16.885 826 1HD LYS 103 1HD LYS 103 -4.730 -11.211 -17.903 827 2HD LYS 103 2HD LYS 103 -4.643 -12.934 -18.275 828 1HE LYS 103 1HE LYS 103 -4.893 -13.563 -16.063 829 2HE LYS 103 2HE LYS 103 -4.088 -12.104 -15.452 830 1HZ LYS 103 1HZ LYS 103 -6.745 -12.156 -16.782 831 2HZ LYS 103 2HZ LYS 103 -6.503 -12.027 -15.106 832 3HZ LYS 103 3HZ LYS 103 -5.975 -10.788 -16.142 833 H GLY 104 H GLY 104 1.358 -12.435 -20.227 834 1HA GLY 104 1HA GLY 104 2.093 -12.424 -22.480 835 2HA GLY 104 2HA GLY 104 0.547 -11.714 -22.947 836 H ASN 105 H ASN 105 0.620 -9.607 -23.553 837 HA ASN 105 HA ASN 105 3.044 -8.018 -22.818 838 1HB ASN 105 1HB ASN 105 1.161 -8.213 -25.123 839 2HB ASN 105 2HB ASN 105 1.848 -6.624 -24.790 840 1HD2 ASN 105 2HD2 ASN 105 4.025 -6.269 -25.390 841 2HD2 ASN 105 1HD2 ASN 105 5.042 -7.476 -26.016 842 H GLU 106 H GLU 106 -0.015 -8.447 -21.692 843 HA GLU 106 HA GLU 106 -0.447 -5.534 -21.128 844 1HB GLU 106 1HB GLU 106 -2.275 -7.949 -21.245 845 2HB GLU 106 2HB GLU 106 -2.804 -6.370 -20.663 846 1HG GLU 106 1HG GLU 106 -2.309 -5.343 -22.796 847 2HG GLU 106 2HG GLU 106 -1.557 -6.825 -23.387 848 H MET 107 H MET 107 -1.219 -5.036 -18.913 849 HA MET 107 HA MET 107 -0.391 -7.081 -16.880 850 1HB MET 107 1HB MET 107 0.694 -4.483 -17.534 851 2HB MET 107 2HB MET 107 0.080 -4.474 -15.881 852 1HG MET 107 1HG MET 107 1.342 -6.883 -15.921 853 2HG MET 107 2HG MET 107 2.356 -5.972 -17.040 854 1HE MET 107 1HE MET 107 3.056 -7.263 -14.180 855 2HE MET 107 2HE MET 107 4.273 -6.523 -15.217 856 3HE MET 107 3HE MET 107 4.155 -6.057 -13.514 857 H VAL 108 H VAL 108 -1.788 -7.249 -15.121 858 HA VAL 108 HA VAL 108 -4.054 -5.284 -14.984 859 HB VAL 108 HB VAL 108 -4.053 -8.302 -14.637 860 1HG1 VAL 108 1HG1 VAL 108 -5.653 -7.096 -13.142 861 2HG1 VAL 108 2HG1 VAL 108 -6.364 -6.338 -14.566 862 3HG1 VAL 108 3HG1 VAL 108 -6.467 -8.085 -14.353 863 1HG2 VAL 108 1HG2 VAL 108 -3.873 -7.299 -16.992 864 2HG2 VAL 108 2HG2 VAL 108 -5.236 -8.382 -16.711 865 3HG2 VAL 108 3HG2 VAL 108 -5.486 -6.637 -16.720 866 H GLU 109 H GLU 109 -4.054 -4.279 -13.015 867 HA GLU 109 HA GLU 109 -2.688 -5.620 -10.719 868 1HB GLU 109 1HB GLU 109 -3.351 -2.790 -11.520 869 2HB GLU 109 2HB GLU 109 -2.934 -3.169 -9.848 870 1HG GLU 109 1HG GLU 109 -0.770 -3.931 -10.441 871 2HG GLU 109 2HG GLU 109 -1.196 -4.066 -12.148 872 H THR 110 H THR 110 -3.953 -6.411 -9.081 873 HA THR 110 HA THR 110 -6.787 -5.436 -8.896 874 HB THR 110 HB THR 110 -5.613 -8.157 -8.232 875 HG1 THR 110 HG1 THR 110 -7.134 -7.260 -10.451 876 1HG2 THR 110 1HG2 THR 110 -8.097 -8.766 -8.337 877 2HG2 THR 110 2HG2 THR 110 -7.581 -7.830 -6.934 878 3HG2 THR 110 3HG2 THR 110 -8.417 -7.033 -8.267 879 H ILE 111 H ILE 111 -6.950 -4.171 -7.079 880 HA ILE 111 HA ILE 111 -5.516 -5.086 -4.605 881 HB ILE 111 HB ILE 111 -6.097 -2.261 -5.551 882 1HG1 ILE 111 1HG1 ILE 111 -3.488 -3.812 -5.501 883 2HG1 ILE 111 2HG1 ILE 111 -4.418 -3.446 -6.954 884 1HG2 ILE 111 1HG2 ILE 111 -5.895 -2.801 -3.031 885 2HG2 ILE 111 2HG2 ILE 111 -4.196 -3.127 -3.373 886 3HG2 ILE 111 3HG2 ILE 111 -4.863 -1.522 -3.671 887 1HD1 ILE 111 1HD1 ILE 111 -3.301 -1.364 -5.053 888 2HD1 ILE 111 2HD1 ILE 111 -2.559 -1.826 -6.585 889 3HD1 ILE 111 3HD1 ILE 111 -4.143 -1.049 -6.571 890 H THR 112 H THR 112 -6.811 -5.231 -2.785 891 HA THR 112 HA THR 112 -9.658 -4.336 -3.067 892 HB THR 112 HB THR 112 -8.388 -6.494 -1.349 893 HG1 THR 112 HG1 THR 112 -9.923 -6.640 -3.729 894 1HG2 THR 112 1HG2 THR 112 -10.998 -7.134 -1.486 895 2HG2 THR 112 2HG2 THR 112 -10.340 -6.109 -0.211 896 3HG2 THR 112 3HG2 THR 112 -11.133 -5.380 -1.607 897 H PHE 113 H PHE 113 -10.418 -2.864 -1.572 898 HA PHE 113 HA PHE 113 -9.095 -2.539 1.044 899 1HB PHE 113 1HB PHE 113 -7.744 -1.269 -0.661 900 2HB PHE 113 2HB PHE 113 -9.174 -0.289 -0.990 901 HD1 PHE 113 HD1 PHE 113 -10.298 0.870 1.053 902 HD2 PHE 113 HD2 PHE 113 -6.287 -0.669 1.079 903 HE1 PHE 113 HE1 PHE 113 -9.755 2.314 2.995 904 HE2 PHE 113 HE2 PHE 113 -5.745 0.775 3.020 905 HZ PHE 113 HZ PHE 113 -7.480 2.266 3.979 906 H GLY 114 H GLY 114 -10.702 -2.060 2.494 907 1HA GLY 114 1HA GLY 114 -12.734 -1.262 3.357 908 2HA GLY 114 2HA GLY 114 -12.762 -0.120 2.013 909 H GLY 115 H GLY 115 -12.661 -3.646 1.716 910 1HA GLY 115 1HA GLY 115 -14.239 -5.147 0.832 911 2HA GLY 115 2HA GLY 115 -15.487 -3.966 1.236 912 H VAL 116 H VAL 116 -12.971 -2.659 -0.650 913 HA VAL 116 HA VAL 116 -14.690 -2.879 -3.102 914 HB VAL 116 HB VAL 116 -12.814 -0.693 -2.140 915 1HG1 VAL 116 1HG1 VAL 116 -14.585 -0.932 -4.587 916 2HG1 VAL 116 2HG1 VAL 116 -13.892 0.592 -4.033 917 3HG1 VAL 116 3HG1 VAL 116 -12.834 -0.720 -4.553 918 1HG2 VAL 116 1HG2 VAL 116 -15.750 -1.187 -1.933 919 2HG2 VAL 116 2HG2 VAL 116 -14.669 -0.365 -0.808 920 3HG2 VAL 116 3HG2 VAL 116 -15.232 0.467 -2.257 921 H THR 117 H THR 117 -13.690 -3.629 -4.961 922 HA THR 117 HA THR 117 -10.753 -4.215 -4.782 923 HB THR 117 HB THR 117 -12.955 -5.540 -6.400 924 HG1 THR 117 HG1 THR 117 -13.350 -6.191 -4.403 925 1HG2 THR 117 1HG2 THR 117 -10.962 -7.351 -6.244 926 2HG2 THR 117 2HG2 THR 117 -11.091 -6.186 -7.563 927 3HG2 THR 117 3HG2 THR 117 -10.009 -5.868 -6.207 928 H LEU 118 H LEU 118 -9.459 -3.234 -6.301 929 HA LEU 118 HA LEU 118 -10.809 -1.764 -8.536 930 1HB LEU 118 1HB LEU 118 -9.594 -0.396 -6.910 931 2HB LEU 118 2HB LEU 118 -8.153 -1.392 -7.114 932 HG LEU 118 HG LEU 118 -8.029 -0.730 -9.489 933 1HD1 LEU 118 1HD1 LEU 118 -10.416 1.003 -8.780 934 2HD1 LEU 118 2HD1 LEU 118 -9.521 1.087 -10.297 935 3HD1 LEU 118 3HD1 LEU 118 -10.424 -0.371 -9.884 936 1HD2 LEU 118 1HD2 LEU 118 -8.182 1.470 -7.417 937 2HD2 LEU 118 2HD2 LEU 118 -6.744 0.644 -8.018 938 3HD2 LEU 118 3HD2 LEU 118 -7.619 1.766 -9.061 939 H ILE 119 H ILE 119 -10.002 -2.040 -10.659 940 HA ILE 119 HA ILE 119 -7.903 -4.155 -11.015 941 HB ILE 119 HB ILE 119 -10.506 -3.721 -12.515 942 1HG1 ILE 119 1HG1 ILE 119 -9.605 -6.065 -10.814 943 2HG1 ILE 119 2HG1 ILE 119 -10.629 -4.761 -10.210 944 1HG2 ILE 119 1HG2 ILE 119 -8.147 -5.541 -12.963 945 2HG2 ILE 119 2HG2 ILE 119 -9.761 -6.016 -13.494 946 3HG2 ILE 119 3HG2 ILE 119 -9.016 -4.552 -14.137 947 1HD1 ILE 119 1HD1 ILE 119 -11.483 -6.028 -12.759 948 2HD1 ILE 119 2HD1 ILE 119 -11.635 -7.015 -11.306 949 3HD1 ILE 119 3HD1 ILE 119 -12.457 -5.457 -11.403 950 H ARG 120 H ARG 120 -6.274 -2.587 -11.516 951 HA ARG 120 HA ARG 120 -6.794 -0.612 -13.659 952 1HB ARG 120 1HB ARG 120 -4.442 -1.289 -11.868 953 2HB ARG 120 2HB ARG 120 -4.406 0.007 -13.064 954 1HG ARG 120 1HG ARG 120 -6.729 0.603 -11.797 955 2HG ARG 120 2HG ARG 120 -5.832 -0.129 -10.466 956 1HD ARG 120 1HD ARG 120 -4.705 2.069 -12.235 957 2HD ARG 120 2HD ARG 120 -5.459 2.356 -10.654 958 HE ARG 120 HE ARG 120 -3.690 0.471 -9.951 959 1HH1 ARG 120 1HH1 ARG 120 -3.185 3.585 -10.052 960 2HH1 ARG 120 2HH1 ARG 120 -1.569 3.583 -10.674 961 1HH2 ARG 120 1HH2 ARG 120 -1.664 0.256 -11.647 962 2HH2 ARG 120 2HH2 ARG 120 -0.707 1.698 -11.578 963 H ARG 121 H ARG 121 -6.267 -1.012 -15.775 964 HA ARG 121 HA ARG 121 -4.664 -3.462 -16.388 965 1HB ARG 121 1HB ARG 121 -6.814 -1.852 -17.737 966 2HB ARG 121 2HB ARG 121 -5.748 -2.857 -18.719 967 1HG ARG 121 1HG ARG 121 -6.321 -4.817 -17.313 968 2HG ARG 121 2HG ARG 121 -7.425 -3.808 -16.378 969 1HD ARG 121 1HD ARG 121 -8.640 -3.287 -18.547 970 2HD ARG 121 2HD ARG 121 -7.649 -4.545 -19.313 971 HE ARG 121 HE ARG 121 -8.750 -5.595 -16.895 972 1HH1 ARG 121 1HH1 ARG 121 -10.805 -3.922 -18.726 973 2HH1 ARG 121 2HH1 ARG 121 -11.656 -5.261 -19.423 974 1HH2 ARG 121 1HH2 ARG 121 -9.346 -7.621 -18.363 975 2HH2 ARG 121 2HH2 ARG 121 -10.830 -7.355 -19.218 976 H SER 122 H SER 122 -2.600 -3.152 -17.123 977 HA SER 122 HA SER 122 -1.917 -0.490 -18.335 978 1HB SER 122 1HB SER 122 -0.362 -2.350 -16.514 979 2HB SER 122 2HB SER 122 0.351 -0.947 -17.307 980 HG SER 122 HG SER 122 -0.588 -0.732 -15.075 981 H LYS 123 H LYS 123 -0.434 -0.562 -20.115 982 HA LYS 123 HA LYS 123 -0.061 -3.288 -21.316 983 1HB LYS 123 1HB LYS 123 -1.596 -1.281 -22.255 984 2HB LYS 123 2HB LYS 123 -0.056 -0.811 -22.975 985 1HG LYS 123 1HG LYS 123 0.175 -2.996 -24.024 986 2HG LYS 123 2HG LYS 123 -1.285 -3.571 -23.219 987 1HD LYS 123 1HD LYS 123 -2.547 -1.714 -24.386 988 2HD LYS 123 2HD LYS 123 -1.088 -1.408 -25.327 989 1HE LYS 123 1HE LYS 123 -2.037 -4.237 -25.214 990 2HE LYS 123 2HE LYS 123 -2.980 -3.103 -26.200 991 1HZ LYS 123 1HZ LYS 123 -0.023 -3.364 -26.320 992 2HZ LYS 123 2HZ LYS 123 -1.088 -4.104 -27.417 993 3HZ LYS 123 3HZ LYS 123 -0.999 -2.410 -27.326 994 H ARG 124 H ARG 124 1.942 -3.574 -22.539 995 HA ARG 124 HA ARG 124 4.224 -2.165 -21.337 996 1HB ARG 124 1HB ARG 124 4.140 -4.616 -21.749 997 2HB ARG 124 2HB ARG 124 4.029 -4.306 -23.483 998 1HG ARG 124 1HG ARG 124 6.208 -3.120 -23.394 999 2HG ARG 124 2HG ARG 124 6.328 -3.500 -21.675 1000 1HD ARG 124 1HD ARG 124 6.209 -5.937 -22.240 1001 2HD ARG 124 2HD ARG 124 6.233 -5.502 -23.959 1002 HE ARG 124 HE ARG 124 8.380 -4.107 -22.922 1003 1HH1 ARG 124 1HH1 ARG 124 7.811 -6.877 -21.297 1004 2HH1 ARG 124 2HH1 ARG 124 9.183 -7.760 -21.874 1005 1HH2 ARG 124 1HH2 ARG 124 9.957 -5.460 -24.350 1006 2HH2 ARG 124 2HH2 ARG 124 10.399 -6.958 -23.603 1007 H VAL 125 HN VAL 125 5.416 -0.564 -22.342 1008 HA VAL 125 HA VAL 125 5.017 -0.091 -25.264 1009 HB VAL 125 HB VAL 125 4.657 2.322 -24.734 1010 1HG1 VAL 125 1HG1 VAL 125 2.748 0.711 -25.000 1011 2HG1 VAL 125 2HG1 VAL 125 2.734 0.509 -23.248 1012 3HG1 VAL 125 3HG1 VAL 125 2.369 2.082 -23.958 1013 1HG2 VAL 125 1HG2 VAL 125 5.796 1.769 -22.342 1014 2HG2 VAL 125 2HG2 VAL 125 4.734 3.153 -22.596 1015 3HG2 VAL 125 3HG2 VAL 125 4.094 1.671 -21.887 1016 1H1 JN3 130 1H1 JN3 130 -3.463 1.313 -7.495 1017 2H1 JN3 130 2H1 JN3 130 -3.014 2.694 -8.552 1018 1H2 JN3 130 1H2 JN3 130 -0.838 2.786 -7.531 1019 2H2 JN3 130 2H2 JN3 130 -1.178 1.155 -8.229 1020 H3 JN3 130 H3 JN3 130 -1.832 0.294 -5.906 1021 HO3 JN3 130 HO3 JN3 130 0.205 0.026 -5.179 1022 1H4 JN3 130 1H4 JN3 130 -1.111 3.101 -4.947 1023 2H4 JN3 130 2H4 JN3 130 -1.584 1.744 -3.909 1024 H5 JN3 130 H5 JN3 130 -3.883 1.670 -5.119 1025 1H6 JN3 130 1H6 JN3 130 -3.701 3.065 -3.035 1026 2H6 JN3 130 2H6 JN3 130 -4.858 3.708 -4.190 1027 H7 JN3 130 H7 JN3 130 -3.423 5.498 -3.209 1028 HO7 JN3 130 HO7 JN3 130 -1.506 3.797 -3.286 1029 H8 JN3 130 H8 JN3 130 -4.334 5.796 -5.479 1030 H9 JN3 130 H9 JN3 130 -1.572 4.547 -6.398 1031 1H11 JN3 130 1H11 JN3 130 -3.907 5.642 -8.099 1032 2H11 JN3 130 2H11 JN3 130 -2.490 4.826 -8.761 1033 1H12 JN3 130 1H12 JN3 130 -2.160 7.274 -8.928 1034 2H12 JN3 130 2H12 JN3 130 -1.018 6.643 -7.739 1035 H14 JN3 130 H14 JN3 130 -1.419 6.912 -5.260 1036 1H15 JN3 130 1H15 JN3 130 -2.526 7.960 -3.437 1037 2H15 JN3 130 2H15 JN3 130 -4.039 8.126 -4.322 1038 1H16 JN3 130 1H16 JN3 130 -1.631 9.819 -4.446 1039 2H16 JN3 130 2H16 JN3 130 -3.263 10.128 -5.142 1040 H17 JN3 130 H17 JN3 130 -0.811 8.874 -6.511 1041 1H18 JN3 130 1H18 JN3 130 -4.659 8.754 -6.372 1042 2H18 JN3 130 2H18 JN3 130 -4.421 8.511 -8.119 1043 3H18 JN3 130 3H18 JN3 130 -4.831 7.129 -7.076 1044 1H19 JN3 130 1H19 JN3 130 -5.374 4.066 -6.115 1045 2H19 JN3 130 2H19 JN3 130 -5.077 3.774 -7.845 1046 3H19 JN3 130 3H19 JN3 130 -5.447 2.410 -6.763 1047 H20 JN3 130 H20 JN3 130 -2.929 10.787 -7.458 1048 1H21 JN3 130 1H21 JN3 130 -1.931 10.947 -9.604 1049 2H21 JN3 130 2H21 JN3 130 -0.904 9.536 -9.251 1050 3H21 JN3 130 3H21 JN3 130 -2.672 9.351 -9.338 1051 1H22 JN3 130 1H22 JN3 130 0.108 10.952 -7.508 1052 2H22 JN3 130 2H22 JN3 130 -0.918 11.547 -6.157 1053 1H23 JN3 130 1H23 JN3 130 -1.417 12.650 -8.913 1054 2H23 JN3 130 2H23 JN3 130 -0.012 13.212 -8.043 1055 1H1 JN3 131 1H1 JN3 131 5.060 -4.512 -4.239 1056 2H1 JN3 131 2H1 JN3 131 3.411 -4.601 -3.530 1057 1H2 JN3 131 1H2 JN3 131 2.517 -3.427 -5.431 1058 2H2 JN3 131 2H2 JN3 131 3.396 -4.926 -5.926 1059 H3 JN3 131 H3 JN3 131 5.467 -3.528 -6.494 1060 HO3 JN3 131 HO3 JN3 131 4.303 -1.958 -8.127 1061 1H4 JN3 131 1H4 JN3 131 3.754 -1.133 -5.685 1062 2H4 JN3 131 2H4 JN3 131 5.393 -1.051 -6.355 1063 H5 JN3 131 H5 JN3 131 6.257 -2.390 -4.301 1064 1H6 JN3 131 1H6 JN3 131 6.299 0.121 -4.165 1065 2H6 JN3 131 2H6 JN3 131 6.044 -0.644 -2.605 1066 H7 JN3 131 H7 JN3 131 4.537 1.313 -2.945 1067 HO7 JN3 131 HO7 JN3 131 3.966 1.473 -5.035 1068 H8 JN3 131 H8 JN3 131 3.800 -0.539 -1.493 1069 H9 JN3 131 H9 JN3 131 2.430 -1.629 -4.133 1070 1H11 JN3 131 1H11 JN3 131 2.353 -2.758 -1.258 1071 2H11 JN3 131 2H11 JN3 131 1.665 -3.570 -2.665 1072 1H12 JN3 131 1H12 JN3 131 -0.137 -2.357 -1.475 1073 2H12 JN3 131 2H12 JN3 131 0.135 -1.560 -3.026 1074 H14 JN3 131 H14 JN3 131 1.427 0.605 -3.180 1075 1H15 JN3 131 1H15 JN3 131 2.347 2.551 -2.174 1076 2H15 JN3 131 2H15 JN3 131 2.740 1.712 -0.677 1077 1H16 JN3 131 1H16 JN3 131 0.151 2.815 -1.551 1078 2H16 JN3 131 2H16 JN3 131 0.620 2.194 0.073 1079 H17 JN3 131 H17 JN3 131 -0.776 0.688 -2.216 1080 1H18 JN3 131 1H18 JN3 131 1.727 0.257 0.681 1081 2H18 JN3 131 2H18 JN3 131 0.877 -1.303 0.794 1082 3H18 JN3 131 3H18 JN3 131 2.496 -1.223 0.059 1083 1H19 JN3 131 1H19 JN3 131 5.199 -2.125 -1.516 1084 2H19 JN3 131 2H19 JN3 131 4.353 -3.690 -1.480 1085 3H19 JN3 131 3H19 JN3 131 5.954 -3.562 -2.245 1086 H20 JN3 131 H20 JN3 131 -1.052 0.082 0.723 1087 1H21 JN3 131 1H21 JN3 131 -3.260 -0.637 0.242 1088 2H21 JN3 131 2H21 JN3 131 -2.998 -0.341 -1.493 1089 3H21 JN3 131 3H21 JN3 131 -2.048 -1.587 -0.649 1090 1H22 JN3 131 1H22 JN3 131 -3.276 1.576 0.136 1091 2H22 JN3 131 2H22 JN3 131 -2.009 2.422 -0.817 1092 1H23 JN3 131 1H23 JN3 131 -1.279 3.475 1.048 1093 2H23 JN3 131 2H23 JN3 131 -1.080 1.964 1.900 Start of MODEL 10 1 1H ALA 1 1H ALA 1 6.073 -10.183 -19.777 2 2H ALA 1 2H ALA 1 7.349 -11.287 -19.974 3 3H ALA 1 3H ALA 1 7.671 -9.622 -19.871 4 HA ALA 1 HA ALA 1 6.594 -11.331 -17.683 5 1HB ALA 1 1HB ALA 1 9.256 -10.373 -18.609 6 2HB ALA 1 2HB ALA 1 8.972 -10.332 -16.869 7 3HB ALA 1 3HB ALA 1 8.834 -11.854 -17.749 8 H PHE 2 H PHE 2 7.412 -9.816 -15.602 9 HA PHE 2 HA PHE 2 5.601 -7.536 -15.656 10 1HB PHE 2 1HB PHE 2 7.589 -8.689 -13.681 11 2HB PHE 2 2HB PHE 2 6.588 -7.285 -13.308 12 HD1 PHE 2 HD1 PHE 2 6.595 -10.905 -13.988 13 HD2 PHE 2 HD2 PHE 2 4.168 -7.486 -13.050 14 HE1 PHE 2 HE1 PHE 2 4.699 -12.404 -13.427 15 HE2 PHE 2 HE2 PHE 2 2.273 -8.985 -12.489 16 HZ PHE 2 HZ PHE 2 2.540 -11.444 -12.678 17 H SER 3 H SER 3 9.086 -7.999 -15.954 18 HA SER 3 HA SER 3 10.015 -5.378 -15.429 19 1HB SER 3 1HB SER 3 10.877 -7.825 -16.759 20 2HB SER 3 2HB SER 3 11.527 -6.394 -17.554 21 HG SER 3 HG SER 3 12.898 -6.971 -15.885 22 H GLY 4 H GLY 4 10.141 -3.508 -16.709 23 1HA GLY 4 1HA GLY 4 10.103 -2.698 -19.148 24 2HA GLY 4 2HA GLY 4 8.583 -3.587 -19.260 25 H THR 5 H THR 5 7.972 -1.218 -19.889 26 HA THR 5 HA THR 5 7.348 0.364 -17.421 27 HB THR 5 HB THR 5 7.496 1.144 -20.353 28 HG1 THR 5 HG1 THR 5 9.466 1.930 -19.853 29 1HG2 THR 5 1HG2 THR 5 7.441 2.996 -17.974 30 2HG2 THR 5 2HG2 THR 5 7.142 3.377 -19.670 31 3HG2 THR 5 3HG2 THR 5 5.952 2.456 -18.750 32 H TRP 6 H TRP 6 5.205 0.567 -16.863 33 HA TRP 6 HA TRP 6 3.153 -0.301 -18.877 34 1HB TRP 6 1HB TRP 6 3.203 -0.512 -15.847 35 2HB TRP 6 2HB TRP 6 1.890 -1.074 -16.881 36 HD1 TRP 6 HD1 TRP 6 5.185 -2.097 -15.485 37 HE1 TRP 6 HE1 TRP 6 5.879 -4.390 -16.436 38 HE3 TRP 6 HE3 TRP 6 1.732 -2.586 -19.214 39 HZ2 TRP 6 HZ2 TRP 6 5.075 -6.193 -18.506 40 HZ3 TRP 6 HZ3 TRP 6 1.718 -4.598 -20.660 41 HH2 TRP 6 HH2 TRP 6 3.384 -6.402 -20.311 42 H GLN 7 H GLN 7 1.338 1.042 -19.114 43 HA GLN 7 HA GLN 7 1.313 3.558 -17.475 44 1HB GLN 7 1HB GLN 7 2.170 3.883 -19.767 45 2HB GLN 7 2HB GLN 7 0.714 3.133 -20.423 46 1HG GLN 7 1HG GLN 7 -0.656 4.915 -19.362 47 2HG GLN 7 2HG GLN 7 0.823 5.683 -18.785 48 1HE2 GLN 7 2HE2 GLN 7 -1.036 6.945 -20.645 49 2HE2 GLN 7 1HE2 GLN 7 -0.208 7.171 -22.109 50 H VAL 8 H VAL 8 -0.538 3.569 -16.262 51 HA VAL 8 HA VAL 8 -2.789 1.844 -16.720 52 HB VAL 8 HB VAL 8 -2.536 4.421 -15.134 53 1HG1 VAL 8 1HG1 VAL 8 -4.822 3.049 -15.646 54 2HG1 VAL 8 2HG1 VAL 8 -4.248 2.174 -14.226 55 3HG1 VAL 8 3HG1 VAL 8 -4.530 3.912 -14.137 56 1HG2 VAL 8 1HG2 VAL 8 -0.969 2.212 -14.852 57 2HG2 VAL 8 2HG2 VAL 8 -1.430 3.255 -13.506 58 3HG2 VAL 8 3HG2 VAL 8 -2.329 1.771 -13.820 59 H TYR 9 H TYR 9 -4.526 2.141 -18.068 60 HA TYR 9 HA TYR 9 -5.041 4.902 -19.124 61 1HB TYR 9 1HB TYR 9 -5.536 3.762 -21.293 62 2HB TYR 9 2HB TYR 9 -3.869 3.516 -20.772 63 HD1 TYR 9 HD1 TYR 9 -7.264 1.947 -20.525 64 HD2 TYR 9 HD2 TYR 9 -3.012 1.342 -20.618 65 HE1 TYR 9 HE1 TYR 9 -7.614 -0.508 -20.556 66 HE2 TYR 9 HE2 TYR 9 -3.362 -1.113 -20.649 67 HH TYR 9 HH TYR 9 -5.812 -2.608 -21.536 68 H ALA 10 H ALA 10 -6.288 1.944 -17.814 69 HA ALA 10 HA ALA 10 -9.049 3.088 -17.929 70 1HB ALA 10 1HB ALA 10 -8.071 0.347 -18.760 71 2HB ALA 10 2HB ALA 10 -9.770 0.674 -18.415 72 3HB ALA 10 3HB ALA 10 -8.959 1.519 -19.734 73 H GLN 11 H GLN 11 -10.093 2.895 -15.966 74 HA GLN 11 HA GLN 11 -9.185 0.829 -14.025 75 1HB GLN 11 1HB GLN 11 -8.913 2.605 -12.307 76 2HB GLN 11 2HB GLN 11 -7.807 2.839 -13.661 77 1HG GLN 11 1HG GLN 11 -9.514 4.406 -14.671 78 2HG GLN 11 2HG GLN 11 -10.417 4.290 -13.160 79 1HE2 GLN 11 2HE2 GLN 11 -10.018 6.570 -12.649 80 2HE2 GLN 11 1HE2 GLN 11 -8.483 7.102 -12.159 81 H GLU 12 H GLU 12 -11.069 -0.151 -13.401 82 HA GLU 12 HA GLU 12 -13.613 1.385 -13.470 83 1HB GLU 12 1HB GLU 12 -13.267 -0.883 -14.544 84 2HB GLU 12 2HB GLU 12 -13.087 -1.552 -12.922 85 1HG GLU 12 1HG GLU 12 -15.321 -0.982 -12.326 86 2HG GLU 12 2HG GLU 12 -15.506 0.071 -13.729 87 H ASN 13 H ASN 13 -14.961 1.539 -11.594 88 HA ASN 13 HA ASN 13 -15.353 1.849 -9.283 89 1HB ASN 13 1HB ASN 13 -13.602 -0.632 -9.215 90 2HB ASN 13 2HB ASN 13 -14.730 -0.127 -7.956 91 1HD2 ASN 13 2HD2 ASN 13 -14.725 -2.585 -9.804 92 2HD2 ASN 13 1HD2 ASN 13 -16.269 -2.572 -10.511 93 H TYR 14 H TYR 14 -12.764 2.909 -10.601 94 HA TYR 14 HA TYR 14 -10.583 2.811 -8.792 95 1HB TYR 14 1HB TYR 14 -10.653 3.737 -11.126 96 2HB TYR 14 2HB TYR 14 -11.532 5.133 -10.500 97 HD1 TYR 14 HD1 TYR 14 -8.427 3.147 -9.782 98 HD2 TYR 14 HD2 TYR 14 -10.309 7.008 -9.855 99 HE1 TYR 14 HE1 TYR 14 -6.282 4.205 -9.124 100 HE2 TYR 14 HE2 TYR 14 -8.163 8.065 -9.197 101 HH TYR 14 HH TYR 14 -5.605 7.356 -9.474 102 H GLU 15 H GLU 15 -13.334 5.096 -8.921 103 HA GLU 15 HA GLU 15 -12.495 6.679 -6.663 104 1HB GLU 15 1HB GLU 15 -14.132 7.243 -8.526 105 2HB GLU 15 2HB GLU 15 -15.298 6.198 -7.713 106 1HG GLU 15 1HG GLU 15 -15.189 7.569 -5.700 107 2HG GLU 15 2HG GLU 15 -13.923 8.568 -6.413 108 H GLU 16 H GLU 16 -15.049 4.170 -6.945 109 HA GLU 16 HA GLU 16 -15.892 4.006 -4.297 110 1HB GLU 16 1HB GLU 16 -15.452 1.990 -6.495 111 2HB GLU 16 2HB GLU 16 -16.105 1.480 -4.937 112 1HG GLU 16 1HG GLU 16 -17.884 3.226 -5.165 113 2HG GLU 16 2HG GLU 16 -17.275 3.582 -6.782 114 H PHE 17 H PHE 17 -13.396 1.806 -5.641 115 HA PHE 17 HA PHE 17 -12.448 0.697 -3.267 116 1HB PHE 17 1HB PHE 17 -11.722 -0.021 -5.463 117 2HB PHE 17 2HB PHE 17 -11.000 1.556 -5.790 118 HD1 PHE 17 HD1 PHE 17 -8.926 2.255 -4.671 119 HD2 PHE 17 HD2 PHE 17 -10.639 -1.625 -3.989 120 HE1 PHE 17 HE1 PHE 17 -6.801 1.498 -3.641 121 HE2 PHE 17 HE2 PHE 17 -8.513 -2.381 -2.959 122 HZ PHE 17 HZ PHE 17 -6.594 -0.820 -2.785 123 H LEU 18 H LEU 18 -11.409 3.773 -4.765 124 HA LEU 18 HA LEU 18 -9.394 4.441 -2.851 125 1HB LEU 18 1HB LEU 18 -11.126 5.873 -4.841 126 2HB LEU 18 2HB LEU 18 -10.139 6.827 -3.732 127 HG LEU 18 HG LEU 18 -9.067 4.604 -5.493 128 1HD1 LEU 18 1HD1 LEU 18 -9.926 7.076 -6.345 129 2HD1 LEU 18 2HD1 LEU 18 -8.225 7.379 -5.993 130 3HD1 LEU 18 3HD1 LEU 18 -8.678 6.118 -7.139 131 1HD2 LEU 18 1HD2 LEU 18 -8.024 5.736 -3.180 132 2HD2 LEU 18 2HD2 LEU 18 -7.092 4.898 -4.420 133 3HD2 LEU 18 3HD2 LEU 18 -7.243 6.655 -4.467 134 H LYS 19 H LYS 19 -12.865 5.301 -2.996 135 HA LYS 19 HA LYS 19 -13.044 6.993 -0.762 136 1HB LYS 19 1HB LYS 19 -14.842 4.971 -2.080 137 2HB LYS 19 2HB LYS 19 -15.397 5.825 -0.639 138 1HG LYS 19 1HG LYS 19 -15.016 7.981 -1.723 139 2HG LYS 19 2HG LYS 19 -14.352 7.175 -3.144 140 1HD LYS 19 1HD LYS 19 -16.490 6.113 -3.606 141 2HD LYS 19 2HD LYS 19 -17.172 6.762 -2.114 142 1HE LYS 19 1HE LYS 19 -15.985 8.698 -4.073 143 2HE LYS 19 2HE LYS 19 -17.588 8.018 -4.418 144 1HZ LYS 19 1HZ LYS 19 -18.262 8.605 -2.155 145 2HZ LYS 19 2HZ LYS 19 -16.747 9.324 -1.881 146 3HZ LYS 19 3HZ LYS 19 -17.806 9.980 -3.037 147 H ALA 20 H ALA 20 -12.815 3.460 -0.873 148 HA ALA 20 HA ALA 20 -13.445 2.995 1.907 149 1HB ALA 20 1HB ALA 20 -13.072 1.519 -0.383 150 2HB ALA 20 2HB ALA 20 -11.609 1.141 0.527 151 3HB ALA 20 3HB ALA 20 -13.195 0.829 1.235 152 H LEU 21 H LEU 21 -10.446 3.680 0.146 153 HA LEU 21 HA LEU 21 -8.564 3.027 2.179 154 1HB LEU 21 1HB LEU 21 -8.690 4.304 -0.374 155 2HB LEU 21 2HB LEU 21 -7.759 5.348 0.700 156 HG LEU 21 HG LEU 21 -6.664 3.003 1.391 157 1HD1 LEU 21 1HD1 LEU 21 -8.321 2.093 -0.534 158 2HD1 LEU 21 2HD1 LEU 21 -6.924 2.496 -1.531 159 3HD1 LEU 21 3HD1 LEU 21 -6.757 1.350 -0.200 160 1HD2 LEU 21 1HD2 LEU 21 -5.875 5.234 -0.008 161 2HD2 LEU 21 2HD2 LEU 21 -4.817 3.882 0.394 162 3HD2 LEU 21 3HD2 LEU 21 -5.593 3.954 -1.189 163 H ALA 22 H ALA 22 -10.815 5.670 1.923 164 HA ALA 22 HA ALA 22 -11.352 7.315 3.555 165 1HB ALA 22 1HB ALA 22 -10.466 5.336 5.010 166 2HB ALA 22 2HB ALA 22 -8.996 6.302 5.140 167 3HB ALA 22 3HB ALA 22 -10.527 6.942 5.734 168 H LEU 23 H LEU 23 -9.723 7.986 1.347 169 HA LEU 23 HA LEU 23 -7.373 9.474 2.319 170 1HB LEU 23 1HB LEU 23 -8.592 8.585 -0.209 171 2HB LEU 23 2HB LEU 23 -7.845 10.180 -0.309 172 HG LEU 23 HG LEU 23 -6.531 7.612 0.615 173 1HD1 LEU 23 1HD1 LEU 23 -5.966 9.492 -1.698 174 2HD1 LEU 23 2HD1 LEU 23 -5.039 8.045 -1.303 175 3HD1 LEU 23 3HD1 LEU 23 -6.716 7.901 -1.830 176 1HD2 LEU 23 1HD2 LEU 23 -5.927 9.725 1.930 177 2HD2 LEU 23 2HD2 LEU 23 -4.583 8.894 1.146 178 3HD2 LEU 23 3HD2 LEU 23 -5.261 10.353 0.423 179 HA PRO 24 HA PRO 24 -9.293 13.397 2.727 180 1HB PRO 24 1HB PRO 24 -7.519 15.091 1.513 181 2HB PRO 24 2HB PRO 24 -7.195 14.307 3.073 182 1HG PRO 24 1HG PRO 24 -6.214 13.593 0.357 183 2HG PRO 24 2HG PRO 24 -5.374 13.531 1.915 184 1HD PRO 24 1HD PRO 24 -6.422 11.337 0.664 185 2HD PRO 24 2HD PRO 24 -6.198 11.461 2.423 186 H GLU 25 H GLU 25 -10.910 14.480 1.623 187 HA GLU 25 HA GLU 25 -11.683 13.823 -1.017 188 1HB GLU 25 1HB GLU 25 -13.116 14.825 0.729 189 2HB GLU 25 2HB GLU 25 -12.200 16.328 0.620 190 1HG GLU 25 1HG GLU 25 -12.834 16.464 -1.807 191 2HG GLU 25 2HG GLU 25 -13.876 15.063 -1.565 192 H ASP 26 H ASP 26 -9.399 16.224 0.144 193 HA ASP 26 HA ASP 26 -9.296 17.866 -2.220 194 1HB ASP 26 1HB ASP 26 -8.474 18.471 0.049 195 2HB ASP 26 2HB ASP 26 -7.201 17.261 -0.108 196 H LEU 27 H LEU 27 -7.519 14.957 -1.195 197 HA LEU 27 HA LEU 27 -5.797 14.989 -3.578 198 1HB LEU 27 1HB LEU 27 -5.009 14.197 -1.390 199 2HB LEU 27 2HB LEU 27 -6.282 12.976 -1.356 200 HG LEU 27 HG LEU 27 -5.336 11.940 -3.395 201 1HD1 LEU 27 1HD1 LEU 27 -3.531 14.320 -3.181 202 2HD1 LEU 27 2HD1 LEU 27 -2.858 12.816 -3.811 203 3HD1 LEU 27 3HD1 LEU 27 -4.234 13.572 -4.615 204 1HD2 LEU 27 1HD2 LEU 27 -3.731 12.294 -0.893 205 2HD2 LEU 27 2HD2 LEU 27 -4.473 10.836 -1.550 206 3HD2 LEU 27 3HD2 LEU 27 -2.975 11.453 -2.246 207 H ILE 28 H ILE 28 -8.579 13.103 -2.378 208 HA ILE 28 HA ILE 28 -8.704 11.147 -4.426 209 HB ILE 28 HB ILE 28 -10.894 12.557 -2.865 210 1HG1 ILE 28 1HG1 ILE 28 -9.336 10.008 -2.321 211 2HG1 ILE 28 2HG1 ILE 28 -9.148 11.531 -1.453 212 1HG2 ILE 28 1HG2 ILE 28 -11.677 11.250 -4.868 213 2HG2 ILE 28 2HG2 ILE 28 -10.923 9.819 -4.166 214 3HG2 ILE 28 3HG2 ILE 28 -12.261 10.610 -3.332 215 1HD1 ILE 28 1HD1 ILE 28 -11.847 11.152 -1.257 216 2HD1 ILE 28 2HD1 ILE 28 -11.268 9.486 -1.228 217 3HD1 ILE 28 3HD1 ILE 28 -10.687 10.642 -0.030 218 H LYS 29 H LYS 29 -10.401 14.306 -4.253 219 HA LYS 29 HA LYS 29 -11.629 14.164 -6.824 220 1HB LYS 29 1HB LYS 29 -10.663 16.551 -5.213 221 2HB LYS 29 2HB LYS 29 -11.885 16.597 -6.484 222 1HG LYS 29 1HG LYS 29 -12.368 14.598 -4.357 223 2HG LYS 29 2HG LYS 29 -12.465 16.281 -3.838 224 1HD LYS 29 1HD LYS 29 -14.010 16.721 -5.770 225 2HD LYS 29 2HD LYS 29 -14.010 14.988 -6.103 226 1HE LYS 29 1HE LYS 29 -15.022 14.493 -3.969 227 2HE LYS 29 2HE LYS 29 -14.805 16.167 -3.419 228 1HZ LYS 29 1HZ LYS 29 -16.342 15.423 -5.847 229 2HZ LYS 29 2HZ LYS 29 -17.063 15.673 -4.329 230 3HZ LYS 29 3HZ LYS 29 -16.261 16.950 -5.106 231 H MET 30 H MET 30 -8.382 15.105 -5.822 232 HA MET 30 HA MET 30 -7.694 16.240 -8.449 233 1HB MET 30 1HB MET 30 -6.828 17.031 -6.222 234 2HB MET 30 2HB MET 30 -5.962 15.502 -6.068 235 1HG MET 30 1HG MET 30 -4.730 15.980 -8.148 236 2HG MET 30 2HG MET 30 -5.600 17.505 -8.317 237 1HE MET 30 1HE MET 30 -5.581 19.348 -6.947 238 2HE MET 30 2HE MET 30 -5.696 18.743 -5.289 239 3HE MET 30 3HE MET 30 -4.384 19.826 -5.747 240 H ALA 31 H ALA 31 -7.499 13.153 -6.819 241 HA ALA 31 HA ALA 31 -5.650 12.083 -8.904 242 1HB ALA 31 1HB ALA 31 -6.330 11.547 -6.095 243 2HB ALA 31 2HB ALA 31 -6.199 10.084 -7.070 244 3HB ALA 31 3HB ALA 31 -4.839 11.201 -6.970 245 H ARG 32 H ARG 32 -8.818 12.625 -8.821 246 HA ARG 32 HA ARG 32 -9.917 9.971 -9.366 247 1HB ARG 32 1HB ARG 32 -11.955 11.212 -9.682 248 2HB ARG 32 2HB ARG 32 -11.084 12.009 -8.371 249 1HG ARG 32 1HG ARG 32 -10.123 13.598 -10.068 250 2HG ARG 32 2HG ARG 32 -11.186 12.871 -11.274 251 1HD ARG 32 1HD ARG 32 -13.153 13.458 -9.831 252 2HD ARG 32 2HD ARG 32 -12.044 14.312 -8.740 253 HE ARG 32 HE ARG 32 -11.777 15.070 -11.562 254 1HH1 ARG 32 1HH1 ARG 32 -14.300 15.431 -9.419 255 2HH1 ARG 32 2HH1 ARG 32 -14.254 17.162 -9.362 256 1HH2 ARG 32 1HH2 ARG 32 -11.271 17.406 -11.113 257 2HH2 ARG 32 2HH2 ARG 32 -12.540 18.279 -10.322 258 H ASP 33 H ASP 33 -7.944 12.004 -11.146 259 HA ASP 33 HA ASP 33 -8.683 10.633 -13.671 260 1HB ASP 33 1HB ASP 33 -9.921 12.921 -13.186 261 2HB ASP 33 2HB ASP 33 -8.382 13.621 -13.692 262 H ILE 34 H ILE 34 -6.359 10.302 -12.084 263 HA ILE 34 HA ILE 34 -4.276 11.665 -13.763 264 HB ILE 34 HB ILE 34 -4.464 10.996 -10.828 265 1HG1 ILE 34 1HG1 ILE 34 -3.580 13.474 -12.346 266 2HG1 ILE 34 2HG1 ILE 34 -5.188 13.230 -11.661 267 1HG2 ILE 34 1HG2 ILE 34 -2.004 11.292 -12.539 268 2HG2 ILE 34 2HG2 ILE 34 -1.979 11.800 -10.851 269 3HG2 ILE 34 3HG2 ILE 34 -2.328 10.120 -11.261 270 1HD1 ILE 34 1HD1 ILE 34 -3.644 12.675 -9.492 271 2HD1 ILE 34 2HD1 ILE 34 -2.635 13.873 -10.303 272 3HD1 ILE 34 3HD1 ILE 34 -4.289 14.278 -9.843 273 H LYS 35 H LYS 35 -3.483 10.118 -15.148 274 HA LYS 35 HA LYS 35 -3.411 7.273 -14.305 275 1HB LYS 35 1HB LYS 35 -2.929 8.778 -16.890 276 2HB LYS 35 2HB LYS 35 -2.736 7.030 -16.748 277 1HG LYS 35 1HG LYS 35 -4.949 7.155 -17.442 278 2HG LYS 35 2HG LYS 35 -5.159 7.172 -15.692 279 1HD LYS 35 1HD LYS 35 -5.680 9.429 -15.633 280 2HD LYS 35 2HD LYS 35 -4.762 9.784 -17.098 281 1HE LYS 35 1HE LYS 35 -7.073 7.948 -17.455 282 2HE LYS 35 2HE LYS 35 -7.469 9.638 -17.083 283 1HZ LYS 35 1HZ LYS 35 -5.829 10.294 -18.799 284 2HZ LYS 35 2HZ LYS 35 -5.669 8.660 -19.235 285 3HZ LYS 35 3HZ LYS 35 -7.157 9.448 -19.436 286 HA PRO 36 HA PRO 36 0.906 8.485 -13.354 287 1HB PRO 36 1HB PRO 36 1.182 6.730 -11.272 288 2HB PRO 36 2HB PRO 36 0.468 8.344 -11.086 289 1HG PRO 36 1HG PRO 36 -0.870 5.697 -11.304 290 2HG PRO 36 2HG PRO 36 -1.293 7.097 -10.308 291 1HD PRO 36 1HD PRO 36 -2.569 6.447 -12.637 292 2HD PRO 36 2HD PRO 36 -2.472 8.099 -11.990 293 H ILE 37 H ILE 37 2.748 7.371 -14.077 294 HA ILE 37 HA ILE 37 2.279 4.791 -15.443 295 HB ILE 37 HB ILE 37 4.676 6.647 -15.251 296 1HG1 ILE 37 1HG1 ILE 37 2.959 6.338 -17.686 297 2HG1 ILE 37 2HG1 ILE 37 2.350 7.327 -16.357 298 1HG2 ILE 37 1HG2 ILE 37 4.168 4.061 -16.631 299 2HG2 ILE 37 2HG2 ILE 37 4.978 5.308 -17.579 300 3HG2 ILE 37 3HG2 ILE 37 5.686 4.754 -16.063 301 1HD1 ILE 37 1HD1 ILE 37 4.499 8.610 -16.393 302 2HD1 ILE 37 2HD1 ILE 37 4.985 7.686 -17.815 303 3HD1 ILE 37 3HD1 ILE 37 3.585 8.756 -17.894 304 H VAL 38 H VAL 38 3.875 3.004 -15.119 305 HA VAL 38 HA VAL 38 5.200 3.003 -12.441 306 HB VAL 38 HB VAL 38 3.226 0.974 -13.539 307 1HG1 VAL 38 1HG1 VAL 38 5.382 0.339 -12.030 308 2HG1 VAL 38 2HG1 VAL 38 4.251 0.799 -10.756 309 3HG1 VAL 38 3HG1 VAL 38 3.832 -0.491 -11.884 310 1HG2 VAL 38 1HG2 VAL 38 3.110 3.194 -11.554 311 2HG2 VAL 38 2HG2 VAL 38 1.845 2.561 -12.607 312 3HG2 VAL 38 3HG2 VAL 38 2.270 1.702 -11.126 313 H GLU 39 H GLU 39 7.298 2.421 -12.832 314 HA GLU 39 HA GLU 39 7.921 0.752 -15.222 315 1HB GLU 39 1HB GLU 39 8.978 3.036 -14.579 316 2HB GLU 39 2HB GLU 39 9.863 2.120 -13.360 317 1HG GLU 39 1HG GLU 39 10.786 0.652 -15.092 318 2HG GLU 39 2HG GLU 39 9.858 1.501 -16.329 319 H ILE 40 H ILE 40 8.807 -1.302 -14.994 320 HA ILE 40 HA ILE 40 9.322 -2.261 -12.195 321 HB ILE 40 HB ILE 40 8.163 -3.763 -14.566 322 1HG1 ILE 40 1HG1 ILE 40 6.790 -2.675 -12.087 323 2HG1 ILE 40 2HG1 ILE 40 6.663 -1.971 -13.700 324 1HG2 ILE 40 1HG2 ILE 40 9.462 -4.864 -12.493 325 2HG2 ILE 40 2HG2 ILE 40 7.884 -4.657 -11.734 326 3HG2 ILE 40 3HG2 ILE 40 8.035 -5.618 -13.205 327 1HD1 ILE 40 1HD1 ILE 40 5.911 -4.350 -14.433 328 2HD1 ILE 40 2HD1 ILE 40 5.620 -4.621 -12.715 329 3HD1 ILE 40 3HD1 ILE 40 4.754 -3.341 -13.565 330 H GLN 41 H GLN 41 11.327 -3.180 -11.907 331 HA GLN 41 HA GLN 41 12.817 -4.148 -14.315 332 1HB GLN 41 1HB GLN 41 13.429 -1.801 -13.747 333 2HB GLN 41 2HB GLN 41 13.866 -2.329 -12.121 334 1HG GLN 41 1HG GLN 41 15.535 -3.893 -13.115 335 2HG GLN 41 2HG GLN 41 15.146 -3.250 -14.711 336 1HE2 GLN 41 2HE2 GLN 41 16.797 -1.840 -15.314 337 2HE2 GLN 41 1HE2 GLN 41 17.511 -0.686 -14.295 338 H GLN 42 H GLN 42 11.893 -6.173 -13.080 339 HA GLN 42 HA GLN 42 13.149 -6.913 -10.562 340 1HB GLN 42 1HB GLN 42 12.112 -9.138 -11.186 341 2HB GLN 42 2HB GLN 42 10.983 -7.783 -11.208 342 1HG GLN 42 1HG GLN 42 10.963 -7.677 -13.561 343 2HG GLN 42 2HG GLN 42 12.465 -8.592 -13.704 344 1HE2 GLN 42 2HE2 GLN 42 12.263 -10.943 -12.713 345 2HE2 GLN 42 1HE2 GLN 42 10.821 -11.767 -13.062 346 H LYS 43 H LYS 43 14.423 -9.096 -10.536 347 HA LYS 43 HA LYS 43 16.048 -9.714 -12.888 348 1HB LYS 43 1HB LYS 43 16.963 -7.908 -10.679 349 2HB LYS 43 2HB LYS 43 18.141 -9.005 -11.402 350 1HG LYS 43 1HG LYS 43 17.352 -8.124 -13.672 351 2HG LYS 43 2HG LYS 43 16.523 -6.852 -12.776 352 1HD LYS 43 1HD LYS 43 18.678 -6.221 -11.716 353 2HD LYS 43 2HD LYS 43 19.495 -7.454 -12.678 354 1HE LYS 43 1HE LYS 43 18.785 -6.318 -14.756 355 2HE LYS 43 2HE LYS 43 17.962 -5.075 -13.793 356 1HZ LYS 43 1HZ LYS 43 20.824 -5.780 -13.441 357 2HZ LYS 43 2HZ LYS 43 20.302 -4.516 -14.445 358 3HZ LYS 43 3HZ LYS 43 19.993 -4.456 -12.775 359 H GLY 44 H GLY 44 14.467 -11.394 -11.324 360 1HA GLY 44 1HA GLY 44 15.292 -13.715 -10.787 361 2HA GLY 44 2HA GLY 44 16.508 -12.939 -9.772 362 H ASP 45 H ASP 45 15.941 -12.314 -7.691 363 HA ASP 45 HA ASP 45 13.155 -13.016 -6.835 364 1HB ASP 45 1HB ASP 45 15.896 -13.172 -5.603 365 2HB ASP 45 2HB ASP 45 14.475 -13.107 -4.560 366 H ASP 46 H ASP 46 15.162 -10.387 -7.436 367 HA ASP 46 HA ASP 46 13.988 -8.709 -5.266 368 1HB ASP 46 1HB ASP 46 16.448 -8.753 -5.691 369 2HB ASP 46 2HB ASP 46 16.152 -8.150 -7.323 370 H PHE 47 H PHE 47 12.796 -6.805 -5.805 371 HA PHE 47 HA PHE 47 12.007 -6.519 -8.684 372 1HB PHE 47 1HB PHE 47 10.441 -7.171 -6.271 373 2HB PHE 47 2HB PHE 47 9.748 -5.875 -7.248 374 HD1 PHE 47 HD1 PHE 47 11.461 -9.175 -7.812 375 HD2 PHE 47 HD2 PHE 47 8.257 -6.530 -8.904 376 HE1 PHE 47 HE1 PHE 47 10.641 -10.846 -9.449 377 HE2 PHE 47 HE2 PHE 47 7.436 -8.202 -10.542 378 HZ PHE 47 HZ PHE 47 8.628 -10.360 -10.815 379 H VAL 48 H VAL 48 11.938 -4.386 -9.368 380 HA VAL 48 HA VAL 48 12.200 -2.258 -7.265 381 HB VAL 48 HB VAL 48 13.472 -2.447 -10.016 382 1HG1 VAL 48 1HG1 VAL 48 12.874 -0.153 -8.776 383 2HG1 VAL 48 2HG1 VAL 48 14.359 -0.532 -7.903 384 3HG1 VAL 48 3HG1 VAL 48 14.387 -0.358 -9.658 385 1HG2 VAL 48 1HG2 VAL 48 14.499 -2.953 -7.217 386 2HG2 VAL 48 2HG2 VAL 48 14.571 -4.029 -8.614 387 3HG2 VAL 48 3HG2 VAL 48 15.585 -2.586 -8.558 388 H VAL 49 H VAL 49 10.198 -1.260 -7.298 389 HA VAL 49 HA VAL 49 8.946 -0.702 -9.962 390 HB VAL 49 HB VAL 49 7.817 -0.817 -7.145 391 1HG1 VAL 49 1HG1 VAL 49 6.755 0.159 -9.711 392 2HG1 VAL 49 2HG1 VAL 49 5.718 -1.028 -8.918 393 3HG1 VAL 49 3HG1 VAL 49 6.175 0.450 -8.070 394 1HG2 VAL 49 1HG2 VAL 49 8.596 -2.922 -8.682 395 2HG2 VAL 49 2HG2 VAL 49 7.243 -2.994 -7.555 396 3HG2 VAL 49 3HG2 VAL 49 6.948 -2.697 -9.268 397 H THR 50 H THR 50 8.709 1.431 -10.574 398 HA THR 50 HA THR 50 9.158 3.550 -8.500 399 HB THR 50 HB THR 50 10.288 3.346 -11.311 400 HG1 THR 50 HG1 THR 50 11.686 2.232 -10.199 401 1HG2 THR 50 1HG2 THR 50 10.730 5.471 -9.197 402 2HG2 THR 50 2HG2 THR 50 11.438 5.435 -10.811 403 3HG2 THR 50 3HG2 THR 50 9.702 5.669 -10.615 404 H SER 51 H SER 51 7.113 4.459 -8.400 405 HA SER 51 HA SER 51 5.465 4.743 -10.832 406 1HB SER 51 1HB SER 51 5.139 5.411 -7.896 407 2HB SER 51 2HB SER 51 3.894 5.752 -9.094 408 HG SER 51 HG SER 51 3.435 3.696 -9.181 409 H LYS 52 H LYS 52 5.239 6.651 -11.972 410 HA LYS 52 HA LYS 52 6.471 9.127 -10.805 411 1HB LYS 52 1HB LYS 52 6.630 7.944 -13.593 412 2HB LYS 52 2HB LYS 52 7.170 9.577 -13.202 413 1HG LYS 52 1HG LYS 52 8.715 8.630 -11.497 414 2HG LYS 52 2HG LYS 52 8.217 7.008 -11.978 415 1HD LYS 52 1HD LYS 52 9.001 7.461 -14.284 416 2HD LYS 52 2HD LYS 52 9.534 9.066 -13.777 417 1HE LYS 52 1HE LYS 52 11.358 8.244 -12.630 418 2HE LYS 52 2HE LYS 52 10.525 6.743 -12.178 419 1HZ LYS 52 1HZ LYS 52 11.250 7.412 -14.975 420 2HZ LYS 52 2HZ LYS 52 12.259 6.501 -13.961 421 3HZ LYS 52 3HZ LYS 52 10.716 5.918 -14.370 422 H THR 53 H THR 53 4.907 10.676 -10.606 423 HA THR 53 HA THR 53 2.526 10.549 -12.416 424 HB THR 53 HB THR 53 2.261 12.387 -10.230 425 HG1 THR 53 HG1 THR 53 3.064 9.794 -9.439 426 1HG2 THR 53 1HG2 THR 53 1.094 9.631 -10.207 427 2HG2 THR 53 2HG2 THR 53 0.327 11.174 -9.833 428 3HG2 THR 53 3HG2 THR 53 0.640 10.729 -11.510 429 HA PRO 54 HA PRO 54 3.536 14.402 -14.255 430 1HB PRO 54 1HB PRO 54 1.128 15.700 -14.331 431 2HB PRO 54 2HB PRO 54 1.512 14.313 -15.371 432 1HG PRO 54 1HG PRO 54 -0.100 14.416 -12.873 433 2HG PRO 54 2HG PRO 54 -0.357 13.467 -14.345 434 1HD PRO 54 1HD PRO 54 0.705 12.445 -12.041 435 2HD PRO 54 2HD PRO 54 1.037 11.790 -13.661 436 H ARG 55 H ARG 55 2.060 14.404 -11.106 437 HA ARG 55 HA ARG 55 2.849 17.255 -10.661 438 1HB ARG 55 1HB ARG 55 0.530 16.665 -10.183 439 2HB ARG 55 2HB ARG 55 1.049 15.320 -9.168 440 1HG ARG 55 1HG ARG 55 2.235 16.980 -7.695 441 2HG ARG 55 2HG ARG 55 1.499 18.271 -8.647 442 1HD ARG 55 1HD ARG 55 -0.720 17.616 -7.986 443 2HD ARG 55 2HD ARG 55 -0.123 16.107 -7.268 444 HE ARG 55 HE ARG 55 0.333 18.834 -6.159 445 1HH1 ARG 55 1HH1 ARG 55 -1.065 16.480 -4.771 446 2HH1 ARG 55 2HH1 ARG 55 0.169 15.978 -3.664 447 1HH2 ARG 55 1HH2 ARG 55 2.694 17.732 -5.269 448 2HH2 ARG 55 2HH2 ARG 55 2.297 16.688 -3.946 449 H GLN 56 H GLN 56 3.648 13.973 -9.843 450 HA GLN 56 HA GLN 56 5.998 14.858 -8.329 451 1HB GLN 56 1HB GLN 56 5.272 13.762 -6.235 452 2HB GLN 56 2HB GLN 56 4.146 15.040 -6.694 453 1HG GLN 56 1HG GLN 56 2.579 13.447 -7.589 454 2HG GLN 56 2HG GLN 56 3.742 12.130 -7.428 455 1HE2 GLN 56 2HE2 GLN 56 4.403 11.570 -5.127 456 2HE2 GLN 56 1HE2 GLN 56 3.279 11.822 -3.879 457 H THR 57 H THR 57 7.410 13.008 -7.818 458 HA THR 57 HA THR 57 6.653 10.472 -9.229 459 HB THR 57 HB THR 57 9.177 10.524 -9.875 460 HG1 THR 57 HG1 THR 57 10.205 12.299 -9.450 461 1HG2 THR 57 1HG2 THR 57 7.717 12.745 -11.229 462 2HG2 THR 57 2HG2 THR 57 8.570 11.369 -11.929 463 3HG2 THR 57 3HG2 THR 57 6.963 11.150 -11.239 464 H VAL 58 H VAL 58 7.034 8.677 -7.975 465 HA VAL 58 HA VAL 58 8.925 8.951 -5.661 466 HB VAL 58 HB VAL 58 6.233 7.549 -5.781 467 1HG1 VAL 58 1HG1 VAL 58 8.325 7.875 -3.624 468 2HG1 VAL 58 2HG1 VAL 58 6.641 7.522 -3.238 469 3HG1 VAL 58 3HG1 VAL 58 7.581 6.386 -4.206 470 1HG2 VAL 58 1HG2 VAL 58 7.148 10.225 -4.745 471 2HG2 VAL 58 2HG2 VAL 58 5.717 9.840 -5.701 472 3HG2 VAL 58 3HG2 VAL 58 5.779 9.406 -3.993 473 H THR 59 H THR 59 10.432 7.319 -5.595 474 HA THR 59 HA THR 59 9.991 4.943 -7.371 475 HB THR 59 HB THR 59 11.867 6.586 -7.830 476 HG1 THR 59 HG1 THR 59 12.494 4.780 -8.691 477 1HG2 THR 59 1HG2 THR 59 13.079 5.391 -5.327 478 2HG2 THR 59 2HG2 THR 59 13.749 6.670 -6.340 479 3HG2 THR 59 3HG2 THR 59 12.311 6.978 -5.367 480 H ASN 60 H ASN 60 10.060 2.914 -6.426 481 HA ASN 60 HA ASN 60 10.970 2.727 -3.575 482 1HB ASN 60 1HB ASN 60 8.499 1.505 -4.850 483 2HB ASN 60 2HB ASN 60 8.986 1.319 -3.164 484 1HD2 ASN 60 2HD2 ASN 60 9.813 3.991 -2.603 485 2HD2 ASN 60 1HD2 ASN 60 8.457 5.009 -2.696 486 H SER 61 H SER 61 11.907 0.690 -3.028 487 HA SER 61 HA SER 61 12.167 -1.321 -5.222 488 1HB SER 61 1HB SER 61 14.067 0.303 -5.259 489 2HB SER 61 2HB SER 61 14.439 -0.134 -3.594 490 HG SER 61 HG SER 61 15.589 -1.645 -4.502 491 H PHE 62 H PHE 62 11.873 -3.362 -4.404 492 HA PHE 62 HA PHE 62 12.574 -3.902 -1.555 493 1HB PHE 62 1HB PHE 62 10.308 -4.970 -1.311 494 2HB PHE 62 2HB PHE 62 10.231 -3.229 -1.576 495 HD1 PHE 62 HD1 PHE 62 9.847 -6.544 -3.198 496 HD2 PHE 62 HD2 PHE 62 9.274 -2.303 -3.573 497 HE1 PHE 62 HE1 PHE 62 8.464 -6.910 -5.224 498 HE2 PHE 62 HE2 PHE 62 7.891 -2.669 -5.599 499 HZ PHE 62 HZ PHE 62 7.487 -4.973 -6.425 500 H THR 63 H THR 63 12.395 -6.343 -1.135 501 HA THR 63 HA THR 63 13.146 -7.854 -3.619 502 HB THR 63 HB THR 63 14.036 -8.210 -0.738 503 HG1 THR 63 HG1 THR 63 14.974 -6.391 -1.531 504 1HG2 THR 63 1HG2 THR 63 15.154 -9.449 -3.261 505 2HG2 THR 63 2HG2 THR 63 15.600 -9.825 -1.597 506 3HG2 THR 63 3HG2 THR 63 14.004 -10.268 -2.205 507 H LEU 64 H LEU 64 12.254 -9.950 -3.852 508 HA LEU 64 HA LEU 64 9.727 -10.443 -2.485 509 1HB LEU 64 1HB LEU 64 11.443 -11.956 -4.474 510 2HB LEU 64 2HB LEU 64 9.865 -12.533 -3.935 511 HG LEU 64 HG LEU 64 10.120 -9.722 -4.953 512 1HD1 LEU 64 1HD1 LEU 64 10.324 -12.250 -6.540 513 2HD1 LEU 64 2HD1 LEU 64 9.350 -10.936 -7.201 514 3HD1 LEU 64 3HD1 LEU 64 11.056 -10.674 -6.842 515 1HD2 LEU 64 1HD2 LEU 64 8.000 -11.827 -4.634 516 2HD2 LEU 64 2HD2 LEU 64 7.965 -10.128 -4.160 517 3HD2 LEU 64 3HD2 LEU 64 7.784 -10.574 -5.857 518 H GLY 65 H GLY 65 9.511 -11.547 -0.580 519 1HA GLY 65 1HA GLY 65 9.900 -13.443 0.863 520 2HA GLY 65 2HA GLY 65 11.461 -13.685 0.076 521 H LYS 66 H LYS 66 10.920 -10.417 0.755 522 HA LYS 66 HA LYS 66 12.162 -10.570 3.459 523 1HB LYS 66 1HB LYS 66 13.298 -9.257 0.974 524 2HB LYS 66 2HB LYS 66 13.886 -8.906 2.600 525 1HG LYS 66 1HG LYS 66 14.333 -11.349 2.914 526 2HG LYS 66 2HG LYS 66 13.881 -11.609 1.228 527 1HD LYS 66 1HD LYS 66 15.664 -10.004 0.541 528 2HD LYS 66 2HD LYS 66 16.155 -9.870 2.230 529 1HE LYS 66 1HE LYS 66 17.604 -11.522 1.233 530 2HE LYS 66 2HE LYS 66 16.423 -12.429 2.199 531 1HZ LYS 66 1HZ LYS 66 15.965 -11.749 -0.648 532 2HZ LYS 66 2HZ LYS 66 16.717 -13.193 -0.177 533 3HZ LYS 66 3HZ LYS 66 15.121 -12.871 0.309 534 H GLU 67 H GLU 67 11.467 -8.883 4.765 535 HA GLU 67 HA GLU 67 9.288 -7.206 3.914 536 1HB GLU 67 1HB GLU 67 9.737 -8.033 6.223 537 2HB GLU 67 2HB GLU 67 11.156 -6.988 6.298 538 1HG GLU 67 1HG GLU 67 9.708 -5.012 5.930 539 2HG GLU 67 2HG GLU 67 8.294 -6.067 5.902 540 H ALA 68 H ALA 68 9.450 -5.355 2.717 541 HA ALA 68 HA ALA 68 11.979 -3.751 2.923 542 1HB ALA 68 1HB ALA 68 11.558 -5.173 0.818 543 2HB ALA 68 2HB ALA 68 10.247 -4.049 0.460 544 3HB ALA 68 3HB ALA 68 11.909 -3.465 0.554 545 H ASP 69 H ASP 69 11.677 -1.514 3.092 546 HA ASP 69 HA ASP 69 9.085 -0.536 3.931 547 1HB ASP 69 1HB ASP 69 11.583 0.969 3.090 548 2HB ASP 69 2HB ASP 69 10.304 1.565 4.147 549 H ILE 70 H ILE 70 7.625 0.774 2.772 550 HA ILE 70 HA ILE 70 8.257 1.296 -0.109 551 HB ILE 70 HB ILE 70 5.869 -0.050 1.169 552 1HG1 ILE 70 1HG1 ILE 70 7.840 -1.419 0.454 553 2HG1 ILE 70 2HG1 ILE 70 6.376 -1.806 -0.453 554 1HG2 ILE 70 1HG2 ILE 70 5.899 1.762 -1.083 555 2HG2 ILE 70 2HG2 ILE 70 5.477 0.136 -1.621 556 3HG2 ILE 70 3HG2 ILE 70 4.530 0.921 -0.357 557 1HD1 ILE 70 1HD1 ILE 70 7.704 0.343 -1.791 558 2HD1 ILE 70 2HD1 ILE 70 8.892 -0.921 -1.472 559 3HD1 ILE 70 3HD1 ILE 70 7.424 -1.298 -2.375 560 H THR 71 H THR 71 7.441 3.269 -0.870 561 HA THR 71 HA THR 71 6.008 4.967 1.149 562 HB THR 71 HB THR 71 7.768 5.824 -1.166 563 HG1 THR 71 HG1 THR 71 9.238 6.188 0.724 564 1HG2 THR 71 1HG2 THR 71 7.971 7.807 0.575 565 2HG2 THR 71 2HG2 THR 71 6.594 7.717 -0.524 566 3HG2 THR 71 3HG2 THR 71 6.427 7.172 1.146 567 H THR 72 H THR 72 4.015 5.740 0.533 568 HA THR 72 HA THR 72 2.960 5.011 -2.122 569 HB THR 72 HB THR 72 1.276 6.646 -0.388 570 HG1 THR 72 HG1 THR 72 1.283 4.832 1.210 571 1HG2 THR 72 1HG2 THR 72 0.058 4.320 -0.394 572 2HG2 THR 72 2HG2 THR 72 0.149 5.258 -1.886 573 3HG2 THR 72 3HG2 THR 72 1.254 3.909 -1.623 574 H MET 73 H MET 73 1.866 6.672 -3.470 575 HA MET 73 HA MET 73 3.506 9.011 -3.902 576 1HB MET 73 1HB MET 73 1.789 7.491 -5.357 577 2HB MET 73 2HB MET 73 0.746 8.866 -4.993 578 1HG MET 73 1HG MET 73 2.571 10.385 -5.817 579 2HG MET 73 2HG MET 73 3.464 8.954 -6.329 580 1HE MET 73 1HE MET 73 0.730 7.240 -6.782 581 2HE MET 73 2HE MET 73 0.576 7.282 -8.536 582 3HE MET 73 3HE MET 73 2.153 7.005 -7.804 583 H ASP 74 H ASP 74 0.708 8.374 -1.933 584 HA ASP 74 HA ASP 74 -0.178 11.156 -1.741 585 1HB ASP 74 1HB ASP 74 -1.692 10.193 -0.053 586 2HB ASP 74 2HB ASP 74 -1.642 9.160 -1.483 587 H GLY 75 H GLY 75 2.287 9.247 -0.263 588 1HA GLY 75 1HA GLY 75 4.008 10.412 1.059 589 2HA GLY 75 2HA GLY 75 2.729 11.422 1.735 590 H LYS 76 H LYS 76 2.121 8.026 1.346 591 HA LYS 76 HA LYS 76 2.004 7.744 4.304 592 1HB LYS 76 1HB LYS 76 0.706 6.612 1.909 593 2HB LYS 76 2HB LYS 76 1.038 5.428 3.174 594 1HG LYS 76 1HG LYS 76 -0.066 6.956 4.823 595 2HG LYS 76 2HG LYS 76 -0.501 8.022 3.487 596 1HD LYS 76 1HD LYS 76 -1.625 6.002 2.408 597 2HD LYS 76 2HD LYS 76 -1.413 5.176 3.954 598 1HE LYS 76 1HE LYS 76 -2.910 6.595 5.068 599 2HE LYS 76 2HE LYS 76 -2.708 7.898 3.880 600 1HZ LYS 76 1HZ LYS 76 -3.705 6.420 2.204 601 2HZ LYS 76 2HZ LYS 76 -4.006 5.266 3.409 602 3HZ LYS 76 3HZ LYS 76 -4.783 6.775 3.468 603 H LYS 77 H LYS 77 3.371 6.348 5.412 604 HA LYS 77 HA LYS 77 5.428 4.898 3.778 605 1HB LYS 77 1HB LYS 77 5.460 6.152 6.540 606 2HB LYS 77 2HB LYS 77 6.786 5.179 5.900 607 1HG LYS 77 1HG LYS 77 7.001 6.733 3.989 608 2HG LYS 77 2HG LYS 77 5.691 7.714 4.646 609 1HD LYS 77 1HD LYS 77 7.000 8.151 6.674 610 2HD LYS 77 2HD LYS 77 8.302 7.125 6.071 611 1HE LYS 77 1HE LYS 77 8.904 8.656 4.388 612 2HE LYS 77 2HE LYS 77 7.325 9.467 4.433 613 1HZ LYS 77 1HZ LYS 77 9.265 9.412 6.684 614 2HZ LYS 77 2HZ LYS 77 9.060 10.723 5.624 615 3HZ LYS 77 3HZ LYS 77 7.789 10.247 6.646 616 H LEU 78 H LEU 78 5.477 2.687 4.003 617 HA LEU 78 HA LEU 78 4.642 1.367 6.485 618 1HB LEU 78 1HB LEU 78 2.737 0.202 5.417 619 2HB LEU 78 2HB LEU 78 2.499 1.950 5.387 620 HG LEU 78 HG LEU 78 3.964 0.913 3.056 621 1HD1 LEU 78 1HD1 LEU 78 1.388 -0.274 3.894 622 2HD1 LEU 78 2HD1 LEU 78 1.433 0.307 2.230 623 3HD1 LEU 78 3HD1 LEU 78 2.603 -0.895 2.777 624 1HD2 LEU 78 1HD2 LEU 78 1.772 2.851 3.706 625 2HD2 LEU 78 2HD2 LEU 78 3.275 3.119 2.821 626 3HD2 LEU 78 3HD2 LEU 78 1.929 2.286 2.042 627 H LYS 79 H LYS 79 5.120 -0.943 6.406 628 HA LYS 79 HA LYS 79 7.119 -1.621 4.299 629 1HB LYS 79 1HB LYS 79 6.461 -3.014 6.911 630 2HB LYS 79 2HB LYS 79 7.925 -3.201 5.944 631 1HG LYS 79 1HG LYS 79 8.600 -0.924 6.403 632 2HG LYS 79 2HG LYS 79 7.061 -0.579 7.194 633 1HD LYS 79 1HD LYS 79 7.569 -2.195 8.958 634 2HD LYS 79 2HD LYS 79 9.073 -2.637 8.150 635 1HE LYS 79 1HE LYS 79 9.740 -0.165 8.347 636 2HE LYS 79 2HE LYS 79 8.382 -0.005 9.478 637 1HZ LYS 79 1HZ LYS 79 10.507 -2.071 9.690 638 2HZ LYS 79 2HZ LYS 79 10.494 -0.626 10.582 639 3HZ LYS 79 3HZ LYS 79 9.264 -1.772 10.809 640 H CYS 80 H CYS 80 6.954 -3.634 3.159 641 HA CYS 80 HA CYS 80 4.598 -5.358 3.575 642 1HB CYS 80 1HB CYS 80 4.777 -3.199 1.588 643 2HB CYS 80 2HB CYS 80 4.350 -4.759 0.885 644 HG CYS 80 HG CYS 80 2.089 -4.478 1.838 645 H THR 81 H THR 81 5.147 -7.432 2.976 646 HA THR 81 HA THR 81 7.744 -7.841 1.590 647 HB THR 81 HB THR 81 5.877 -9.884 2.818 648 HG1 THR 81 HG1 THR 81 6.714 -9.407 4.752 649 1HG2 THR 81 1HG2 THR 81 8.215 -10.894 3.322 650 2HG2 THR 81 2HG2 THR 81 7.611 -10.981 1.666 651 3HG2 THR 81 3HG2 THR 81 8.801 -9.757 2.109 652 H VAL 82 H VAL 82 7.334 -7.615 -0.634 653 HA VAL 82 HA VAL 82 4.945 -8.615 -1.933 654 HB VAL 82 HB VAL 82 7.686 -7.898 -3.028 655 1HG1 VAL 82 1HG1 VAL 82 4.939 -8.147 -4.276 656 2HG1 VAL 82 2HG1 VAL 82 6.268 -7.287 -5.054 657 3HG1 VAL 82 3HG1 VAL 82 6.409 -9.014 -4.723 658 1HG2 VAL 82 1HG2 VAL 82 6.053 -6.266 -1.558 659 2HG2 VAL 82 2HG2 VAL 82 7.148 -5.692 -2.815 660 3HG2 VAL 82 3HG2 VAL 82 5.448 -5.973 -3.189 661 H HIS 83 H HIS 83 4.628 -10.604 -2.940 662 HA HIS 83 HA HIS 83 6.936 -12.503 -3.070 663 1HB HIS 83 1HB HIS 83 5.423 -14.225 -2.079 664 2HB HIS 83 2HB HIS 83 5.710 -12.878 -0.976 665 HD1 HIS 83 HD1 HIS 83 3.668 -11.756 -0.071 666 HD2 HIS 83 HD2 HIS 83 2.841 -13.868 -3.570 667 HE1 HIS 83 HE1 HIS 83 1.165 -11.604 -0.425 668 H LEU 84 H LEU 84 6.596 -14.220 -4.650 669 HA LEU 84 HA LEU 84 4.685 -13.434 -6.800 670 1HB LEU 84 1HB LEU 84 7.379 -14.429 -6.603 671 2HB LEU 84 2HB LEU 84 6.417 -15.560 -7.556 672 HG LEU 84 HG LEU 84 5.624 -13.672 -8.960 673 1HD1 LEU 84 1HD1 LEU 84 6.307 -12.078 -6.883 674 2HD1 LEU 84 2HD1 LEU 84 7.741 -11.882 -7.892 675 3HD1 LEU 84 3HD1 LEU 84 6.148 -11.482 -8.535 676 1HD2 LEU 84 1HD2 LEU 84 8.495 -14.421 -8.680 677 2HD2 LEU 84 2HD2 LEU 84 7.409 -14.630 -10.054 678 3HD2 LEU 84 3HD2 LEU 84 8.128 -13.052 -9.730 679 H ALA 85 H ALA 85 2.911 -14.703 -7.220 680 HA ALA 85 HA ALA 85 2.884 -17.508 -6.170 681 1HB ALA 85 1HB ALA 85 1.162 -15.167 -5.555 682 2HB ALA 85 2HB ALA 85 0.319 -16.698 -5.794 683 3HB ALA 85 3HB ALA 85 1.561 -16.560 -4.550 684 H ASN 86 H ASN 86 2.585 -18.784 -7.956 685 HA ASN 86 HA ASN 86 1.682 -19.573 -9.994 686 1HB ASN 86 1HB ASN 86 -0.376 -19.085 -8.591 687 2HB ASN 86 2HB ASN 86 -0.466 -17.518 -9.396 688 1HD2 ASN 86 2HD2 ASN 86 -2.461 -18.037 -10.528 689 2HD2 ASN 86 1HD2 ASN 86 -2.502 -19.173 -11.787 690 H GLY 87 H GLY 87 3.464 -17.121 -9.888 691 1HA GLY 87 1HA GLY 87 4.401 -15.763 -11.576 692 2HA GLY 87 2HA GLY 87 3.171 -16.370 -12.687 693 H LYS 88 H LYS 88 2.878 -14.618 -9.585 694 HA LYS 88 HA LYS 88 1.844 -12.222 -10.947 695 1HB LYS 88 1HB LYS 88 0.124 -14.157 -9.375 696 2HB LYS 88 2HB LYS 88 -0.373 -12.498 -9.712 697 1HG LYS 88 1HG LYS 88 -0.102 -12.929 -12.142 698 2HG LYS 88 2HG LYS 88 0.325 -14.602 -11.781 699 1HD LYS 88 1HD LYS 88 -2.046 -14.473 -12.366 700 2HD LYS 88 2HD LYS 88 -1.882 -14.891 -10.661 701 1HE LYS 88 1HE LYS 88 -1.897 -12.088 -10.678 702 2HE LYS 88 2HE LYS 88 -3.147 -12.553 -11.849 703 1HZ LYS 88 1HZ LYS 88 -3.925 -14.209 -10.188 704 2HZ LYS 88 2HZ LYS 88 -2.855 -13.527 -9.058 705 3HZ LYS 88 3HZ LYS 88 -4.127 -12.598 -9.686 706 H LEU 89 H LEU 89 2.747 -10.607 -9.734 707 HA LEU 89 HA LEU 89 3.784 -10.976 -7.077 708 1HB LEU 89 1HB LEU 89 4.395 -9.300 -8.938 709 2HB LEU 89 2HB LEU 89 3.011 -8.359 -8.381 710 HG LEU 89 HG LEU 89 4.867 -9.290 -6.265 711 1HD1 LEU 89 1HD1 LEU 89 5.666 -7.428 -8.485 712 2HD1 LEU 89 2HD1 LEU 89 6.264 -7.141 -6.850 713 3HD1 LEU 89 3HD1 LEU 89 6.627 -8.661 -7.667 714 1HD2 LEU 89 1HD2 LEU 89 3.327 -6.778 -6.949 715 2HD2 LEU 89 2HD2 LEU 89 3.058 -7.886 -5.603 716 3HD2 LEU 89 3HD2 LEU 89 4.474 -6.834 -5.610 717 H VAL 90 H VAL 90 2.848 -10.502 -5.079 718 HA VAL 90 HA VAL 90 0.202 -9.151 -4.994 719 HB VAL 90 HB VAL 90 0.818 -11.999 -4.167 720 1HG1 VAL 90 1HG1 VAL 90 -1.243 -10.080 -3.171 721 2HG1 VAL 90 2HG1 VAL 90 -1.748 -11.745 -3.457 722 3HG1 VAL 90 3HG1 VAL 90 -0.439 -11.403 -2.325 723 1HG2 VAL 90 1HG2 VAL 90 -0.946 -10.628 -6.166 724 2HG2 VAL 90 2HG2 VAL 90 0.044 -12.074 -6.359 725 3HG2 VAL 90 3HG2 VAL 90 -1.482 -12.160 -5.479 726 H THR 91 H THR 91 0.406 -7.667 -3.368 727 HA THR 91 HA THR 91 2.220 -8.315 -1.070 728 HB THR 91 HB THR 91 1.304 -5.693 -2.295 729 HG1 THR 91 HG1 THR 91 3.807 -7.023 -2.220 730 1HG2 THR 91 1HG2 THR 91 3.287 -4.924 -0.720 731 2HG2 THR 91 2HG2 THR 91 1.648 -5.082 -0.085 732 3HG2 THR 91 3HG2 THR 91 2.829 -6.362 0.192 733 H LYS 92 H LYS 92 0.652 -9.312 0.299 734 HA LYS 92 HA LYS 92 -1.891 -7.904 0.851 735 1HB LYS 92 1HB LYS 92 -2.314 -9.939 2.195 736 2HB LYS 92 2HB LYS 92 -1.762 -10.359 0.573 737 1HG LYS 92 1HG LYS 92 0.556 -10.592 1.457 738 2HG LYS 92 2HG LYS 92 -0.060 -10.277 3.079 739 1HD LYS 92 1HD LYS 92 -1.570 -12.241 2.861 740 2HD LYS 92 2HD LYS 92 -0.867 -12.579 1.279 741 1HE LYS 92 1HE LYS 92 1.373 -12.818 2.339 742 2HE LYS 92 2HE LYS 92 0.626 -12.553 3.927 743 1HZ LYS 92 1HZ LYS 92 -0.279 -14.628 2.008 744 2HZ LYS 92 2HZ LYS 92 0.808 -14.939 3.275 745 3HZ LYS 92 3HZ LYS 92 -0.777 -14.433 3.617 746 H SER 93 H SER 93 -2.476 -7.525 3.190 747 HA SER 93 HA SER 93 -0.244 -7.218 5.096 748 1HB SER 93 1HB SER 93 0.079 -5.204 3.895 749 2HB SER 93 2HB SER 93 -1.653 -4.954 3.681 750 HG SER 93 HG SER 93 -0.002 -4.363 5.818 751 H GLU 94 H GLU 94 -1.524 -5.460 6.866 752 HA GLU 94 HA GLU 94 -3.891 -7.095 7.681 753 1HB GLU 94 1HB GLU 94 -1.836 -6.875 9.136 754 2HB GLU 94 2HB GLU 94 -2.192 -5.153 9.276 755 1HG GLU 94 1HG GLU 94 -4.403 -5.683 10.237 756 2HG GLU 94 2HG GLU 94 -4.048 -7.406 10.101 757 H LYS 95 H LYS 95 -3.992 -4.879 5.675 758 HA LYS 95 HA LYS 95 -6.314 -3.486 6.710 759 1HB LYS 95 1HB LYS 95 -5.215 -1.233 6.757 760 2HB LYS 95 2HB LYS 95 -4.569 -2.332 7.976 761 1HG LYS 95 1HG LYS 95 -2.520 -2.403 7.000 762 2HG LYS 95 2HG LYS 95 -3.198 -2.488 5.373 763 1HD LYS 95 1HD LYS 95 -1.987 -0.383 5.635 764 2HD LYS 95 2HD LYS 95 -3.714 -0.053 5.499 765 1HE LYS 95 1HE LYS 95 -3.904 0.192 7.928 766 2HE LYS 95 2HE LYS 95 -2.194 -0.241 8.124 767 1HZ LYS 95 1HZ LYS 95 -3.182 2.022 6.470 768 2HZ LYS 95 2HZ LYS 95 -2.554 2.186 8.037 769 3HZ LYS 95 3HZ LYS 95 -1.558 1.627 6.779 770 H PHE 96 H PHE 96 -4.409 -4.587 4.242 771 HA PHE 96 HA PHE 96 -6.126 -3.652 2.149 772 1HB PHE 96 1HB PHE 96 -4.707 -1.938 1.164 773 2HB PHE 96 2HB PHE 96 -4.981 -1.521 2.856 774 HD1 PHE 96 HD1 PHE 96 -2.646 -3.829 1.025 775 HD2 PHE 96 HD2 PHE 96 -3.087 -0.661 3.892 776 HE1 PHE 96 HE1 PHE 96 -0.199 -3.854 1.430 777 HE2 PHE 96 HE2 PHE 96 -0.641 -0.686 4.297 778 HZ PHE 96 HZ PHE 96 0.804 -2.283 3.066 779 H SER 97 H SER 97 -5.647 -4.767 0.224 780 HA SER 97 HA SER 97 -3.164 -6.454 0.269 781 1HB SER 97 1HB SER 97 -5.912 -7.002 -0.898 782 2HB SER 97 2HB SER 97 -4.553 -8.122 -0.912 783 HG SER 97 HG SER 97 -5.049 -8.644 1.054 784 H HIS 98 H HIS 98 -2.282 -6.947 -1.899 785 HA HIS 98 HA HIS 98 -3.165 -5.117 -4.084 786 1HB HIS 98 1HB HIS 98 -1.399 -4.030 -2.689 787 2HB HIS 98 2HB HIS 98 -0.328 -5.387 -3.038 788 HD2 HIS 98 HD2 HIS 98 -1.290 -2.022 -4.615 789 HE1 HIS 98 HE1 HIS 98 0.567 -4.259 -7.692 790 HE2 HIS 98 HE2 HIS 98 -0.273 -1.986 -6.998 791 H GLU 99 H GLU 99 -2.930 -6.068 -6.108 792 HA GLU 99 HA GLU 99 -1.145 -8.415 -6.436 793 1HB GLU 99 1HB GLU 99 -4.163 -8.446 -6.771 794 2HB GLU 99 2HB GLU 99 -3.092 -9.761 -7.258 795 1HG GLU 99 1HG GLU 99 -2.263 -9.871 -4.886 796 2HG GLU 99 2HG GLU 99 -3.505 -8.697 -4.451 797 H GLN 100 H GLN 100 -0.226 -8.278 -8.448 798 HA GLN 100 HA GLN 100 -1.737 -6.850 -10.608 799 1HB GLN 100 1HB GLN 100 -0.087 -5.346 -9.632 800 2HB GLN 100 2HB GLN 100 1.166 -6.581 -9.766 801 1HG GLN 100 1HG GLN 100 0.966 -6.544 -12.215 802 2HG GLN 100 2HG GLN 100 -0.318 -5.340 -12.102 803 1HE2 GLN 100 2HE2 GLN 100 3.170 -5.849 -11.647 804 2HE2 GLN 100 1HE2 GLN 100 3.574 -4.202 -11.575 805 H GLU 101 H GLU 101 -1.204 -7.589 -12.763 806 HA GLU 101 HA GLU 101 0.636 -9.893 -13.046 807 1HB GLU 101 1HB GLU 101 -1.563 -10.766 -12.235 808 2HB GLU 101 2HB GLU 101 -2.335 -10.052 -13.651 809 1HG GLU 101 1HG GLU 101 -0.996 -11.445 -15.138 810 2HG GLU 101 2HG GLU 101 -0.097 -12.095 -13.766 811 H VAL 102 H VAL 102 1.048 -10.379 -15.323 812 HA VAL 102 HA VAL 102 0.175 -8.188 -17.181 813 HB VAL 102 HB VAL 102 2.558 -8.145 -16.412 814 1HG1 VAL 102 1HG1 VAL 102 2.791 -10.603 -16.131 815 2HG1 VAL 102 2HG1 VAL 102 2.711 -10.795 -17.882 816 3HG1 VAL 102 3HG1 VAL 102 4.066 -9.934 -17.151 817 1HG2 VAL 102 1HG2 VAL 102 2.086 -8.833 -19.330 818 2HG2 VAL 102 2HG2 VAL 102 2.003 -7.225 -18.608 819 3HG2 VAL 102 3HG2 VAL 102 3.549 -8.069 -18.707 820 H LYS 103 H LYS 103 -0.659 -8.859 -19.152 821 HA LYS 103 HA LYS 103 -0.496 -11.787 -19.793 822 1HB LYS 103 1HB LYS 103 -2.803 -9.831 -19.816 823 2HB LYS 103 2HB LYS 103 -2.870 -11.354 -20.703 824 1HG LYS 103 1HG LYS 103 -2.345 -12.564 -18.580 825 2HG LYS 103 2HG LYS 103 -2.429 -11.026 -17.722 826 1HD LYS 103 1HD LYS 103 -4.766 -10.734 -18.497 827 2HD LYS 103 2HD LYS 103 -4.680 -12.298 -19.305 828 1HE LYS 103 1HE LYS 103 -4.284 -13.422 -17.152 829 2HE LYS 103 2HE LYS 103 -4.317 -11.854 -16.320 830 1HZ LYS 103 1HZ LYS 103 -6.540 -11.494 -17.352 831 2HZ LYS 103 2HZ LYS 103 -6.514 -13.111 -17.872 832 3HZ LYS 103 3HZ LYS 103 -6.505 -12.755 -16.215 833 H GLY 104 H GLY 104 1.172 -11.421 -21.372 834 1HA GLY 104 1HA GLY 104 1.765 -11.165 -23.651 835 2HA GLY 104 2HA GLY 104 0.178 -10.453 -23.950 836 H ASN 105 H ASN 105 0.073 -8.259 -24.171 837 HA ASN 105 HA ASN 105 2.533 -6.693 -23.469 838 1HB ASN 105 1HB ASN 105 0.431 -6.473 -25.635 839 2HB ASN 105 2HB ASN 105 1.570 -5.169 -25.299 840 1HD2 ASN 105 2HD2 ASN 105 3.809 -5.488 -25.881 841 2HD2 ASN 105 1HD2 ASN 105 4.324 -6.821 -26.796 842 H GLU 106 H GLU 106 -0.372 -7.328 -22.179 843 HA GLU 106 HA GLU 106 -0.901 -4.479 -21.394 844 1HB GLU 106 1HB GLU 106 -2.681 -6.918 -21.668 845 2HB GLU 106 2HB GLU 106 -3.223 -5.402 -20.949 846 1HG GLU 106 1HG GLU 106 -2.732 -4.203 -23.022 847 2HG GLU 106 2HG GLU 106 -2.085 -5.676 -23.747 848 H MET 107 H MET 107 -1.558 -4.177 -19.126 849 HA MET 107 HA MET 107 -0.676 -6.395 -17.308 850 1HB MET 107 1HB MET 107 0.366 -3.718 -17.751 851 2HB MET 107 2HB MET 107 -0.127 -3.930 -16.071 852 1HG MET 107 1HG MET 107 1.137 -6.279 -16.441 853 2HG MET 107 2HG MET 107 2.032 -5.294 -17.598 854 1HE MET 107 1HE MET 107 4.097 -5.990 -16.105 855 2HE MET 107 2HE MET 107 4.288 -5.575 -14.396 856 3HE MET 107 3HE MET 107 3.083 -6.763 -14.890 857 H VAL 108 H VAL 108 -1.973 -6.668 -15.472 858 HA VAL 108 HA VAL 108 -4.246 -4.738 -15.122 859 HB VAL 108 HB VAL 108 -4.218 -7.770 -14.964 860 1HG1 VAL 108 1HG1 VAL 108 -5.764 -6.537 -13.357 861 2HG1 VAL 108 2HG1 VAL 108 -6.594 -5.904 -14.778 862 3HG1 VAL 108 3HG1 VAL 108 -6.561 -7.641 -14.477 863 1HG2 VAL 108 1HG2 VAL 108 -5.174 -5.769 -17.005 864 2HG2 VAL 108 2HG2 VAL 108 -4.221 -7.231 -17.255 865 3HG2 VAL 108 3HG2 VAL 108 -5.940 -7.353 -16.881 866 H GLU 109 H GLU 109 -4.271 -3.908 -13.071 867 HA GLU 109 HA GLU 109 -2.777 -5.374 -10.929 868 1HB GLU 109 1HB GLU 109 -3.441 -2.495 -11.531 869 2HB GLU 109 2HB GLU 109 -2.970 -2.977 -9.901 870 1HG GLU 109 1HG GLU 109 -0.869 -3.895 -10.731 871 2HG GLU 109 2HG GLU 109 -1.345 -3.551 -12.395 872 H THR 110 H THR 110 -3.996 -6.282 -9.321 873 HA THR 110 HA THR 110 -6.819 -5.317 -8.979 874 HB THR 110 HB THR 110 -5.604 -8.045 -8.431 875 HG1 THR 110 HG1 THR 110 -7.164 -7.098 -10.602 876 1HG2 THR 110 1HG2 THR 110 -8.505 -7.222 -8.689 877 2HG2 THR 110 2HG2 THR 110 -7.882 -8.791 -8.181 878 3HG2 THR 110 3HG2 THR 110 -7.670 -7.381 -7.143 879 H ILE 111 H ILE 111 -6.992 -4.165 -7.095 880 HA ILE 111 HA ILE 111 -5.408 -5.102 -4.722 881 HB ILE 111 HB ILE 111 -6.167 -2.286 -5.569 882 1HG1 ILE 111 1HG1 ILE 111 -3.478 -3.698 -5.542 883 2HG1 ILE 111 2HG1 ILE 111 -4.418 -3.334 -6.990 884 1HG2 ILE 111 1HG2 ILE 111 -5.942 -2.871 -3.057 885 2HG2 ILE 111 2HG2 ILE 111 -4.225 -3.081 -3.400 886 3HG2 ILE 111 3HG2 ILE 111 -4.992 -1.516 -3.666 887 1HD1 ILE 111 1HD1 ILE 111 -4.313 -0.916 -6.423 888 2HD1 ILE 111 2HD1 ILE 111 -3.306 -1.306 -5.028 889 3HD1 ILE 111 3HD1 ILE 111 -2.709 -1.611 -6.659 890 H THR 112 H THR 112 -6.682 -5.596 -2.975 891 HA THR 112 HA THR 112 -9.554 -4.761 -3.050 892 HB THR 112 HB THR 112 -8.133 -6.943 -1.488 893 HG1 THR 112 HG1 THR 112 -9.138 -8.278 -3.095 894 1HG2 THR 112 1HG2 THR 112 -10.704 -7.726 -1.669 895 2HG2 THR 112 2HG2 THR 112 -10.102 -6.745 -0.332 896 3HG2 THR 112 3HG2 THR 112 -10.937 -5.978 -1.683 897 H PHE 113 H PHE 113 -10.394 -3.558 -1.344 898 HA PHE 113 HA PHE 113 -8.938 -3.271 1.192 899 1HB PHE 113 1HB PHE 113 -7.775 -1.800 -0.506 900 2HB PHE 113 2HB PHE 113 -9.279 -0.891 -0.659 901 HD1 PHE 113 HD1 PHE 113 -10.337 -0.032 1.586 902 HD2 PHE 113 HD2 PHE 113 -6.223 -1.181 1.133 903 HE1 PHE 113 HE1 PHE 113 -9.746 1.290 3.600 904 HE2 PHE 113 HE2 PHE 113 -5.632 0.140 3.147 905 HZ PHE 113 HZ PHE 113 -7.393 1.376 4.380 906 H GLY 114 H GLY 114 -10.519 -3.059 2.726 907 1HA GLY 114 1HA GLY 114 -12.547 -2.453 3.742 908 2HA GLY 114 2HA GLY 114 -12.710 -1.211 2.498 909 H GLY 115 H GLY 115 -12.424 -4.705 1.957 910 1HA GLY 115 1HA GLY 115 -13.955 -6.231 1.034 911 2HA GLY 115 2HA GLY 115 -15.246 -5.139 1.537 912 H VAL 116 H VAL 116 -12.953 -3.473 -0.280 913 HA VAL 116 HA VAL 116 -14.698 -3.673 -2.709 914 HB VAL 116 HB VAL 116 -12.843 -1.486 -1.711 915 1HG1 VAL 116 1HG1 VAL 116 -14.735 -1.674 -4.066 916 2HG1 VAL 116 2HG1 VAL 116 -14.129 -0.139 -3.448 917 3HG1 VAL 116 3HG1 VAL 116 -13.006 -1.332 -4.099 918 1HG2 VAL 116 1HG2 VAL 116 -15.852 -1.841 -1.616 919 2HG2 VAL 116 2HG2 VAL 116 -14.753 -1.661 -0.249 920 3HG2 VAL 116 3HG2 VAL 116 -15.050 -0.297 -1.326 921 H THR 117 H THR 117 -13.721 -4.129 -4.696 922 HA THR 117 HA THR 117 -10.774 -4.702 -4.628 923 HB THR 117 HB THR 117 -12.999 -5.964 -6.265 924 HG1 THR 117 HG1 THR 117 -13.136 -7.390 -4.721 925 1HG2 THR 117 1HG2 THR 117 -10.108 -6.790 -5.885 926 2HG2 THR 117 2HG2 THR 117 -11.307 -7.612 -6.883 927 3HG2 THR 117 3HG2 THR 117 -10.748 -5.998 -7.326 928 H LEU 118 H LEU 118 -9.556 -3.550 -6.085 929 HA LEU 118 HA LEU 118 -11.009 -1.983 -8.186 930 1HB LEU 118 1HB LEU 118 -9.824 -0.672 -6.501 931 2HB LEU 118 2HB LEU 118 -8.350 -1.602 -6.771 932 HG LEU 118 HG LEU 118 -8.293 -0.801 -9.117 933 1HD1 LEU 118 1HD1 LEU 118 -10.711 0.793 -8.221 934 2HD1 LEU 118 2HD1 LEU 118 -9.820 1.100 -9.712 935 3HD1 LEU 118 3HD1 LEU 118 -10.665 -0.432 -9.488 936 1HD2 LEU 118 1HD2 LEU 118 -8.264 1.074 -6.782 937 2HD2 LEU 118 2HD2 LEU 118 -6.935 0.562 -7.823 938 3HD2 LEU 118 3HD2 LEU 118 -8.097 1.756 -8.399 939 H ILE 119 H ILE 119 -10.188 -2.030 -10.335 940 HA ILE 119 HA ILE 119 -8.053 -4.070 -10.874 941 HB ILE 119 HB ILE 119 -10.654 -3.542 -12.348 942 1HG1 ILE 119 1HG1 ILE 119 -9.752 -6.001 -10.819 943 2HG1 ILE 119 2HG1 ILE 119 -10.795 -4.754 -10.133 944 1HG2 ILE 119 1HG2 ILE 119 -8.424 -5.536 -12.850 945 2HG2 ILE 119 2HG2 ILE 119 -9.989 -5.558 -13.665 946 3HG2 ILE 119 3HG2 ILE 119 -8.890 -4.199 -13.901 947 1HD1 ILE 119 1HD1 ILE 119 -11.589 -5.869 -12.779 948 2HD1 ILE 119 2HD1 ILE 119 -11.789 -6.919 -11.377 949 3HD1 ILE 119 3HD1 ILE 119 -12.599 -5.353 -11.428 950 H ARG 120 H ARG 120 -6.404 -2.559 -11.339 951 HA ARG 120 HA ARG 120 -6.965 -0.344 -13.233 952 1HB ARG 120 1HB ARG 120 -4.794 -1.176 -11.339 953 2HB ARG 120 2HB ARG 120 -4.386 -0.065 -12.646 954 1HG ARG 120 1HG ARG 120 -6.695 1.061 -11.746 955 2HG ARG 120 2HG ARG 120 -6.064 0.379 -10.247 956 1HD ARG 120 1HD ARG 120 -4.439 2.134 -12.122 957 2HD ARG 120 2HD ARG 120 -5.243 2.715 -10.650 958 HE ARG 120 HE ARG 120 -3.758 0.432 -9.910 959 1HH1 ARG 120 1HH1 ARG 120 -3.617 3.694 -9.613 960 2HH1 ARG 120 2HH1 ARG 120 -1.890 3.833 -9.597 961 1HH2 ARG 120 1HH2 ARG 120 -1.350 0.549 -10.571 962 2HH2 ARG 120 2HH2 ARG 120 -0.607 2.053 -10.139 963 H ARG 121 H ARG 121 -6.608 -0.634 -15.396 964 HA ARG 121 HA ARG 121 -4.960 -2.964 -16.275 965 1HB ARG 121 1HB ARG 121 -7.261 -1.368 -17.303 966 2HB ARG 121 2HB ARG 121 -6.166 -2.049 -18.506 967 1HG ARG 121 1HG ARG 121 -6.440 -4.286 -17.472 968 2HG ARG 121 2HG ARG 121 -7.575 -3.597 -16.311 969 1HD ARG 121 1HD ARG 121 -7.944 -3.566 -19.330 970 2HD ARG 121 2HD ARG 121 -8.791 -4.642 -18.202 971 HE ARG 121 HE ARG 121 -9.106 -1.677 -18.298 972 1HH1 ARG 121 1HH1 ARG 121 -11.223 -3.904 -18.783 973 2HH1 ARG 121 2HH1 ARG 121 -12.141 -3.771 -17.321 974 1HH2 ARG 121 1HH2 ARG 121 -9.745 -1.877 -15.677 975 2HH2 ARG 121 2HH2 ARG 121 -11.305 -2.623 -15.562 976 H SER 122 H SER 122 -2.952 -2.567 -17.124 977 HA SER 122 HA SER 122 -2.364 0.202 -18.123 978 1HB SER 122 1HB SER 122 -0.683 -1.741 -16.512 979 2HB SER 122 2HB SER 122 -0.063 -0.241 -17.197 980 HG SER 122 HG SER 122 -1.785 -0.676 -15.061 981 H LYS 123 H LYS 123 -0.659 0.252 -19.802 982 HA LYS 123 HA LYS 123 -0.428 -2.343 -21.296 983 1HB LYS 123 1HB LYS 123 -1.964 -0.374 -22.105 984 2HB LYS 123 2HB LYS 123 -0.442 0.378 -22.584 985 1HG LYS 123 1HG LYS 123 0.124 -1.570 -23.956 986 2HG LYS 123 2HG LYS 123 -1.354 -2.384 -23.439 987 1HD LYS 123 1HD LYS 123 -2.654 -0.440 -24.400 988 2HD LYS 123 2HD LYS 123 -1.139 0.144 -25.091 989 1HE LYS 123 1HE LYS 123 -2.122 -2.676 -25.592 990 2HE LYS 123 2HE LYS 123 -2.584 -1.317 -26.638 991 1HZ LYS 123 1HZ LYS 123 -0.240 -0.773 -26.901 992 2HZ LYS 123 2HZ LYS 123 0.198 -2.092 -25.925 993 3HZ LYS 123 3HZ LYS 123 -0.545 -2.355 -27.431 994 H ARG 124 H ARG 124 1.569 -2.561 -22.549 995 HA ARG 124 HA ARG 124 3.892 -1.382 -21.201 996 1HB ARG 124 1HB ARG 124 3.801 -3.739 -21.892 997 2HB ARG 124 2HB ARG 124 3.562 -3.252 -23.571 998 1HG ARG 124 1HG ARG 124 5.760 -2.103 -23.536 999 2HG ARG 124 2HG ARG 124 6.004 -2.648 -21.876 1000 1HD ARG 124 1HD ARG 124 6.441 -4.818 -22.512 1001 2HD ARG 124 2HD ARG 124 5.315 -4.748 -23.883 1002 HE ARG 124 HE ARG 124 7.049 -3.809 -25.215 1003 1HH1 ARG 124 1HH1 ARG 124 8.688 -5.456 -23.096 1004 2HH1 ARG 124 2HH1 ARG 124 9.972 -4.332 -22.795 1005 1HH2 ARG 124 1HH2 ARG 124 8.348 -1.665 -24.303 1006 2HH2 ARG 124 2HH2 ARG 124 9.778 -2.186 -23.478 1007 H VAL 125 HN VAL 125 5.080 0.342 -21.961 1008 HA VAL 125 HA VAL 125 4.179 1.670 -24.459 1009 HB VAL 125 HB VAL 125 6.121 2.466 -22.264 1010 1HG1 VAL 125 1HG1 VAL 125 6.351 3.573 -24.563 1011 2HG1 VAL 125 2HG1 VAL 125 4.748 4.250 -24.283 1012 3HG1 VAL 125 3HG1 VAL 125 6.079 4.660 -23.201 1013 1HG2 VAL 125 1HG2 VAL 125 3.509 2.101 -21.877 1014 2HG2 VAL 125 2HG2 VAL 125 4.351 3.478 -21.164 1015 3HG2 VAL 125 3HG2 VAL 125 3.415 3.686 -22.644 1016 1H1 JN3 130 1H1 JN3 130 -3.690 1.695 -6.715 1017 2H1 JN3 130 2H1 JN3 130 -3.239 3.053 -7.802 1018 1H2 JN3 130 1H2 JN3 130 -1.002 3.037 -6.914 1019 2H2 JN3 130 2H2 JN3 130 -1.463 1.426 -7.587 1020 H3 JN3 130 H3 JN3 130 -2.016 0.596 -5.226 1021 HO3 JN3 130 HO3 JN3 130 0.043 0.051 -5.148 1022 1H4 JN3 130 1H4 JN3 130 -1.101 3.364 -4.321 1023 2H4 JN3 130 2H4 JN3 130 -1.576 2.032 -3.251 1024 H5 JN3 130 H5 JN3 130 -3.946 2.072 -4.320 1025 1H6 JN3 130 1H6 JN3 130 -3.570 3.454 -2.254 1026 2H6 JN3 130 2H6 JN3 130 -4.762 4.154 -3.340 1027 H7 JN3 130 H7 JN3 130 -3.183 5.871 -2.451 1028 HO7 JN3 130 HO7 JN3 130 -1.360 3.932 -3.057 1029 H8 JN3 130 H8 JN3 130 -4.216 6.214 -4.661 1030 H9 JN3 130 H9 JN3 130 -1.579 4.831 -5.744 1031 1H11 JN3 130 1H11 JN3 130 -3.956 6.041 -7.304 1032 2H11 JN3 130 2H11 JN3 130 -2.623 5.156 -8.048 1033 1H12 JN3 130 1H12 JN3 130 -2.185 7.584 -8.241 1034 2H12 JN3 130 2H12 JN3 130 -1.005 6.897 -7.122 1035 H14 JN3 130 H14 JN3 130 -1.242 7.186 -4.624 1036 1H15 JN3 130 1H15 JN3 130 -2.181 8.286 -2.741 1037 2H15 JN3 130 2H15 JN3 130 -3.736 8.527 -3.531 1038 1H16 JN3 130 1H16 JN3 130 -1.259 10.100 -3.808 1039 2H16 JN3 130 2H16 JN3 130 -2.914 10.489 -4.404 1040 H17 JN3 130 H17 JN3 130 -0.613 9.115 -5.915 1041 1H18 JN3 130 1H18 JN3 130 -4.448 9.186 -5.542 1042 2H18 JN3 130 2H18 JN3 130 -4.328 8.932 -7.300 1043 3H18 JN3 130 3H18 JN3 130 -4.742 7.571 -6.230 1044 1H19 JN3 130 1H19 JN3 130 -5.375 4.538 -5.229 1045 2H19 JN3 130 2H19 JN3 130 -5.198 4.233 -6.974 1046 3H19 JN3 130 3H19 JN3 130 -5.569 2.888 -5.868 1047 H20 JN3 130 H20 JN3 130 -2.725 11.084 -6.790 1048 1H21 JN3 130 1H21 JN3 130 -1.735 11.247 -8.939 1049 2H21 JN3 130 2H21 JN3 130 -0.706 9.837 -8.592 1050 3H21 JN3 130 3H21 JN3 130 -2.474 9.651 -8.673 1051 1H22 JN3 130 1H22 JN3 130 0.248 11.411 -7.124 1052 2H22 JN3 130 2H22 JN3 130 -0.482 11.605 -5.493 1053 1H23 JN3 130 1H23 JN3 130 -1.858 13.210 -7.540 1054 2H23 JN3 130 2H23 JN3 130 -0.169 13.628 -7.396 1055 1H1 JN3 131 1H1 JN3 131 5.083 -4.762 -4.940 1056 2H1 JN3 131 2H1 JN3 131 3.465 -4.885 -4.168 1057 1H2 JN3 131 1H2 JN3 131 2.506 -3.568 -5.939 1058 2H2 JN3 131 2H2 JN3 131 3.342 -5.037 -6.578 1059 H3 JN3 131 H3 JN3 131 5.405 -3.624 -7.135 1060 HO3 JN3 131 HO3 JN3 131 4.221 -1.945 -8.617 1061 1H4 JN3 131 1H4 JN3 131 3.759 -1.275 -6.085 1062 2H4 JN3 131 2H4 JN3 131 5.370 -1.162 -6.819 1063 H5 JN3 131 H5 JN3 131 6.303 -2.653 -4.905 1064 1H6 JN3 131 1H6 JN3 131 6.385 -0.159 -4.593 1065 2H6 JN3 131 2H6 JN3 131 6.188 -1.032 -3.081 1066 H7 JN3 131 H7 JN3 131 4.690 0.959 -3.212 1067 HO7 JN3 131 HO7 JN3 131 4.060 1.260 -5.277 1068 H8 JN3 131 H8 JN3 131 3.994 -0.983 -1.866 1069 H9 JN3 131 H9 JN3 131 2.498 -1.869 -4.514 1070 1H11 JN3 131 1H11 JN3 131 2.529 -3.199 -1.725 1071 2H11 JN3 131 2H11 JN3 131 1.771 -3.901 -3.155 1072 1H12 JN3 131 1H12 JN3 131 0.039 -2.761 -1.805 1073 2H12 JN3 131 2H12 JN3 131 0.254 -1.856 -3.305 1074 H14 JN3 131 H14 JN3 131 1.565 0.301 -3.361 1075 1H15 JN3 131 1H15 JN3 131 2.552 2.161 -2.261 1076 2H15 JN3 131 2H15 JN3 131 2.999 1.213 -0.846 1077 1H16 JN3 131 1H16 JN3 131 0.388 2.400 -1.524 1078 2H16 JN3 131 2H16 JN3 131 0.920 1.660 0.029 1079 H17 JN3 131 H17 JN3 131 -0.591 0.336 -2.299 1080 1H18 JN3 131 1H18 JN3 131 2.028 -0.326 0.449 1081 2H18 JN3 131 2H18 JN3 131 1.164 -1.881 0.488 1082 3H18 JN3 131 3H18 JN3 131 2.751 -1.764 -0.310 1083 1H19 JN3 131 1H19 JN3 131 5.370 -2.578 -2.063 1084 2H19 JN3 131 2H19 JN3 131 4.506 -4.133 -2.102 1085 3H19 JN3 131 3H19 JN3 131 6.075 -3.965 -2.926 1086 H20 JN3 131 H20 JN3 131 -0.761 -0.569 0.561 1087 1H21 JN3 131 1H21 JN3 131 -3.041 -1.055 0.127 1088 2H21 JN3 131 2H21 JN3 131 -2.851 -0.528 -1.562 1089 3H21 JN3 131 3H21 JN3 131 -1.957 -1.947 -0.967 1090 1H22 JN3 131 1H22 JN3 131 -2.725 1.477 -0.375 1091 2H22 JN3 131 2H22 JN3 131 -1.070 2.055 0.022 1092 1H23 JN3 131 1H23 JN3 131 -1.735 0.555 2.258 1093 2H23 JN3 131 2H23 JN3 131 -3.271 1.265 1.831 Start of MODEL 11 1 1H ALA 1 1H ALA 1 5.895 -12.549 -18.499 2 2H ALA 1 2H ALA 1 5.852 -10.947 -19.065 3 3H ALA 1 3H ALA 1 4.761 -11.457 -17.865 4 HA ALA 1 HA ALA 1 6.732 -11.894 -16.388 5 1HB ALA 1 1HB ALA 1 7.944 -10.598 -18.835 6 2HB ALA 1 2HB ALA 1 8.763 -10.561 -17.274 7 3HB ALA 1 3HB ALA 1 8.419 -12.106 -18.052 8 H PHE 2 H PHE 2 6.943 -10.286 -14.787 9 HA PHE 2 HA PHE 2 5.232 -7.945 -15.030 10 1HB PHE 2 1HB PHE 2 7.193 -8.974 -12.958 11 2HB PHE 2 2HB PHE 2 6.181 -7.551 -12.706 12 HD1 PHE 2 HD1 PHE 2 6.212 -11.213 -13.093 13 HD2 PHE 2 HD2 PHE 2 3.757 -7.744 -12.466 14 HE1 PHE 2 HE1 PHE 2 4.318 -12.673 -12.436 15 HE2 PHE 2 HE2 PHE 2 1.863 -9.204 -11.809 16 HZ PHE 2 HZ PHE 2 2.143 -11.668 -11.794 17 H SER 3 H SER 3 8.704 -8.565 -15.241 18 HA SER 3 HA SER 3 9.727 -5.945 -14.941 19 1HB SER 3 1HB SER 3 10.528 -8.302 -16.668 20 2HB SER 3 2HB SER 3 11.540 -6.874 -16.468 21 HG SER 3 HG SER 3 12.076 -8.484 -14.952 22 H GLY 4 H GLY 4 10.001 -4.221 -16.412 23 1HA GLY 4 1HA GLY 4 9.992 -3.603 -18.888 24 2HA GLY 4 2HA GLY 4 8.453 -4.462 -18.962 25 H THR 5 H THR 5 8.077 -2.044 -19.803 26 HA THR 5 HA THR 5 7.397 -0.274 -17.494 27 HB THR 5 HB THR 5 7.527 0.242 -20.484 28 HG1 THR 5 HG1 THR 5 9.579 0.160 -20.078 29 1HG2 THR 5 1HG2 THR 5 7.654 2.635 -19.706 30 2HG2 THR 5 2HG2 THR 5 6.100 1.857 -19.401 31 3HG2 THR 5 3HG2 THR 5 7.255 2.067 -18.085 32 H TRP 6 H TRP 6 5.260 0.039 -16.968 33 HA TRP 6 HA TRP 6 3.189 -0.956 -18.901 34 1HB TRP 6 1HB TRP 6 3.336 -1.005 -15.872 35 2HB TRP 6 2HB TRP 6 1.906 -1.475 -16.790 36 HD1 TRP 6 HD1 TRP 6 5.171 -2.764 -15.560 37 HE1 TRP 6 HE1 TRP 6 5.581 -5.147 -16.456 38 HE3 TRP 6 HE3 TRP 6 1.456 -3.045 -19.053 39 HZ2 TRP 6 HZ2 TRP 6 4.479 -6.936 -18.397 40 HZ3 TRP 6 HZ3 TRP 6 1.159 -5.098 -20.409 41 HH2 TRP 6 HH2 TRP 6 2.664 -7.041 -20.086 42 H GLN 7 H GLN 7 1.371 0.383 -19.201 43 HA GLN 7 HA GLN 7 1.411 3.019 -17.763 44 1HB GLN 7 1HB GLN 7 2.254 3.148 -20.082 45 2HB GLN 7 2HB GLN 7 0.770 2.393 -20.665 46 1HG GLN 7 1HG GLN 7 -0.544 4.278 -19.751 47 2HG GLN 7 2HG GLN 7 0.948 5.041 -19.196 48 1HE2 GLN 7 2HE2 GLN 7 -0.971 4.267 -22.066 49 2HE2 GLN 7 1HE2 GLN 7 -0.067 5.214 -23.146 50 H VAL 8 H VAL 8 -0.426 3.135 -16.531 51 HA VAL 8 HA VAL 8 -2.707 1.426 -16.832 52 HB VAL 8 HB VAL 8 -2.404 4.129 -15.482 53 1HG1 VAL 8 1HG1 VAL 8 -4.752 3.240 -15.768 54 2HG1 VAL 8 2HG1 VAL 8 -4.269 1.834 -14.819 55 3HG1 VAL 8 3HG1 VAL 8 -4.253 3.439 -14.089 56 1HG2 VAL 8 1HG2 VAL 8 -0.739 2.207 -14.939 57 2HG2 VAL 8 2HG2 VAL 8 -1.567 2.987 -13.592 58 3HG2 VAL 8 3HG2 VAL 8 -2.124 1.421 -14.180 59 H TYR 9 H TYR 9 -4.357 1.588 -18.299 60 HA TYR 9 HA TYR 9 -4.880 4.267 -19.549 61 1HB TYR 9 1HB TYR 9 -5.387 2.946 -21.612 62 2HB TYR 9 2HB TYR 9 -3.722 2.735 -21.072 63 HD1 TYR 9 HD1 TYR 9 -7.129 1.214 -20.726 64 HD2 TYR 9 HD2 TYR 9 -2.880 0.580 -20.692 65 HE1 TYR 9 HE1 TYR 9 -7.495 -1.232 -20.543 66 HE2 TYR 9 HE2 TYR 9 -3.247 -1.866 -20.509 67 HH TYR 9 HH TYR 9 -5.665 -3.425 -21.301 68 H ALA 10 H ALA 10 -6.162 1.399 -18.049 69 HA ALA 10 HA ALA 10 -8.906 2.579 -18.225 70 1HB ALA 10 1HB ALA 10 -7.974 -0.232 -18.855 71 2HB ALA 10 2HB ALA 10 -9.667 0.157 -18.553 72 3HB ALA 10 3HB ALA 10 -8.825 0.885 -19.922 73 H GLN 11 H GLN 11 -9.924 2.564 -16.242 74 HA GLN 11 HA GLN 11 -9.043 0.614 -14.168 75 1HB GLN 11 1HB GLN 11 -9.069 3.640 -13.917 76 2HB GLN 11 2HB GLN 11 -8.784 2.528 -12.578 77 1HG GLN 11 1HG GLN 11 -6.829 1.596 -13.787 78 2HG GLN 11 2HG GLN 11 -7.097 2.759 -15.087 79 1HE2 GLN 11 2HE2 GLN 11 -6.839 5.096 -14.525 80 2HE2 GLN 11 1HE2 GLN 11 -5.861 5.541 -13.210 81 H GLU 12 H GLU 12 -10.968 -0.331 -13.597 82 HA GLU 12 HA GLU 12 -13.488 1.225 -13.729 83 1HB GLU 12 1HB GLU 12 -13.201 -1.098 -14.643 84 2HB GLU 12 2HB GLU 12 -12.939 -1.669 -12.995 85 1HG GLU 12 1HG GLU 12 -15.159 -0.938 -12.331 86 2HG GLU 12 2HG GLU 12 -15.424 -0.192 -13.908 87 H ASN 13 H ASN 13 -14.727 1.720 -11.889 88 HA ASN 13 HA ASN 13 -15.142 2.169 -9.605 89 1HB ASN 13 1HB ASN 13 -13.496 -0.367 -9.313 90 2HB ASN 13 2HB ASN 13 -14.647 0.272 -8.138 91 1HD2 ASN 13 2HD2 ASN 13 -16.838 0.954 -9.702 92 2HD2 ASN 13 1HD2 ASN 13 -17.443 -0.416 -10.500 93 H TYR 14 H TYR 14 -12.406 2.853 -11.009 94 HA TYR 14 HA TYR 14 -10.282 2.847 -9.162 95 1HB TYR 14 1HB TYR 14 -10.103 3.545 -11.496 96 2HB TYR 14 2HB TYR 14 -11.160 4.923 -11.193 97 HD1 TYR 14 HD1 TYR 14 -7.947 3.392 -10.024 98 HD2 TYR 14 HD2 TYR 14 -10.235 6.985 -10.574 99 HE1 TYR 14 HE1 TYR 14 -5.987 4.747 -9.332 100 HE2 TYR 14 HE2 TYR 14 -8.277 8.339 -9.883 101 HH TYR 14 HH TYR 14 -5.257 7.329 -9.875 102 H GLU 15 H GLU 15 -12.840 5.325 -9.564 103 HA GLU 15 HA GLU 15 -11.949 7.016 -7.419 104 1HB GLU 15 1HB GLU 15 -14.355 6.624 -9.130 105 2HB GLU 15 2HB GLU 15 -14.588 7.547 -7.646 106 1HG GLU 15 1HG GLU 15 -12.343 8.142 -9.582 107 2HG GLU 15 2HG GLU 15 -13.929 8.902 -9.712 108 H GLU 16 H GLU 16 -14.511 4.515 -7.557 109 HA GLU 16 HA GLU 16 -15.430 4.697 -4.892 110 1HB GLU 16 1HB GLU 16 -15.192 2.500 -6.943 111 2HB GLU 16 2HB GLU 16 -15.885 2.166 -5.356 112 1HG GLU 16 1HG GLU 16 -17.453 4.118 -5.738 113 2HG GLU 16 2HG GLU 16 -16.866 4.172 -7.402 114 H PHE 17 H PHE 17 -13.106 2.247 -6.111 115 HA PHE 17 HA PHE 17 -12.261 1.156 -3.694 116 1HB PHE 17 1HB PHE 17 -11.529 0.303 -5.822 117 2HB PHE 17 2HB PHE 17 -10.762 1.837 -6.239 118 HD1 PHE 17 HD1 PHE 17 -10.649 -0.915 -3.703 119 HD2 PHE 17 HD2 PHE 17 -8.499 2.204 -5.729 120 HE1 PHE 17 HE1 PHE 17 -8.541 -1.677 -2.640 121 HE2 PHE 17 HE2 PHE 17 -6.392 1.442 -4.665 122 HZ PHE 17 HZ PHE 17 -6.413 -0.498 -3.121 123 H LEU 18 H LEU 18 -10.600 3.875 -5.354 124 HA LEU 18 HA LEU 18 -8.803 4.526 -3.265 125 1HB LEU 18 1HB LEU 18 -10.116 6.008 -5.536 126 2HB LEU 18 2HB LEU 18 -9.020 6.854 -4.443 127 HG LEU 18 HG LEU 18 -8.119 4.236 -5.563 128 1HD1 LEU 18 1HD1 LEU 18 -8.776 6.628 -7.157 129 2HD1 LEU 18 2HD1 LEU 18 -7.132 6.030 -7.391 130 3HD1 LEU 18 3HD1 LEU 18 -8.509 4.965 -7.680 131 1HD2 LEU 18 1HD2 LEU 18 -7.000 6.690 -4.363 132 2HD2 LEU 18 2HD2 LEU 18 -6.384 5.038 -4.324 133 3HD2 LEU 18 3HD2 LEU 18 -6.074 6.061 -5.727 134 H LYS 19 H LYS 19 -12.088 5.784 -3.909 135 HA LYS 19 HA LYS 19 -12.330 7.761 -1.967 136 1HB LYS 19 1HB LYS 19 -14.073 7.159 -3.566 137 2HB LYS 19 2HB LYS 19 -14.279 5.585 -2.796 138 1HG LYS 19 1HG LYS 19 -15.048 6.650 -0.738 139 2HG LYS 19 2HG LYS 19 -14.752 8.248 -1.425 140 1HD LYS 19 1HD LYS 19 -16.568 6.311 -2.841 141 2HD LYS 19 2HD LYS 19 -17.178 7.280 -1.498 142 1HE LYS 19 1HE LYS 19 -15.607 8.820 -3.471 143 2HE LYS 19 2HE LYS 19 -17.129 8.153 -4.096 144 1HZ LYS 19 1HZ LYS 19 -18.248 9.007 -2.107 145 2HZ LYS 19 2HZ LYS 19 -16.798 9.721 -1.592 146 3HZ LYS 19 3HZ LYS 19 -17.549 10.261 -3.018 147 H ALA 20 H ALA 20 -12.586 4.234 -1.487 148 HA ALA 20 HA ALA 20 -13.269 4.369 1.316 149 1HB ALA 20 1HB ALA 20 -12.674 2.423 -0.765 150 2HB ALA 20 2HB ALA 20 -11.952 1.947 0.772 151 3HB ALA 20 3HB ALA 20 -13.688 2.241 0.668 152 H LEU 21 H LEU 21 -10.236 4.454 -0.463 153 HA LEU 21 HA LEU 21 -8.395 3.715 1.557 154 1HB LEU 21 1HB LEU 21 -8.389 4.735 -1.037 155 2HB LEU 21 2HB LEU 21 -7.569 5.983 -0.098 156 HG LEU 21 HG LEU 21 -6.181 4.092 0.930 157 1HD1 LEU 21 1HD1 LEU 21 -7.834 2.336 0.055 158 2HD1 LEU 21 2HD1 LEU 21 -7.092 2.582 -1.526 159 3HD1 LEU 21 3HD1 LEU 21 -6.122 1.984 -0.179 160 1HD2 LEU 21 1HD2 LEU 21 -5.999 4.737 -2.029 161 2HD2 LEU 21 2HD2 LEU 21 -5.208 5.595 -0.707 162 3HD2 LEU 21 3HD2 LEU 21 -4.713 3.952 -1.113 163 H ALA 22 H ALA 22 -10.416 6.527 1.311 164 HA ALA 22 HA ALA 22 -10.783 8.181 2.997 165 1HB ALA 22 1HB ALA 22 -9.697 6.218 4.378 166 2HB ALA 22 2HB ALA 22 -8.263 7.245 4.346 167 3HB ALA 22 3HB ALA 22 -9.756 7.837 5.074 168 H LEU 23 H LEU 23 -8.966 8.350 0.572 169 HA LEU 23 HA LEU 23 -6.722 10.053 1.282 170 1HB LEU 23 1HB LEU 23 -8.212 9.347 -1.256 171 2HB LEU 23 2HB LEU 23 -6.827 10.439 -1.258 172 HG LEU 23 HG LEU 23 -6.705 7.688 -0.012 173 1HD1 LEU 23 1HD1 LEU 23 -6.356 8.558 -2.868 174 2HD1 LEU 23 2HD1 LEU 23 -5.379 7.236 -2.232 175 3HD1 LEU 23 3HD1 LEU 23 -7.138 7.109 -2.236 176 1HD2 LEU 23 1HD2 LEU 23 -5.003 9.452 0.587 177 2HD2 LEU 23 2HD2 LEU 23 -4.311 8.024 -0.184 178 3HD2 LEU 23 3HD2 LEU 23 -4.541 9.504 -1.115 179 HA PRO 24 HA PRO 24 -8.682 13.976 1.410 180 1HB PRO 24 1HB PRO 24 -6.915 15.572 0.061 181 2HB PRO 24 2HB PRO 24 -6.586 14.919 1.678 182 1HG PRO 24 1HG PRO 24 -5.607 13.991 -0.973 183 2HG PRO 24 2HG PRO 24 -4.765 14.059 0.583 184 1HD PRO 24 1HD PRO 24 -5.805 11.766 -0.484 185 2HD PRO 24 2HD PRO 24 -5.579 12.033 1.259 186 H GLU 25 H GLU 25 -10.247 15.064 0.214 187 HA GLU 25 HA GLU 25 -11.060 14.154 -2.350 188 1HB GLU 25 1HB GLU 25 -11.532 16.768 -0.878 189 2HB GLU 25 2HB GLU 25 -12.482 16.215 -2.258 190 1HG GLU 25 1HG GLU 25 -12.135 14.521 0.219 191 2HG GLU 25 2HG GLU 25 -13.437 15.702 0.071 192 H ASP 26 H ASP 26 -9.084 16.979 -1.425 193 HA ASP 26 HA ASP 26 -8.850 18.225 -3.953 194 1HB ASP 26 1HB ASP 26 -6.971 17.920 -1.596 195 2HB ASP 26 2HB ASP 26 -6.641 19.009 -2.943 196 H LEU 27 H LEU 27 -7.358 15.294 -2.727 197 HA LEU 27 HA LEU 27 -5.434 15.172 -4.982 198 1HB LEU 27 1HB LEU 27 -4.716 14.561 -2.727 199 2HB LEU 27 2HB LEU 27 -6.028 13.388 -2.598 200 HG LEU 27 HG LEU 27 -5.049 12.211 -4.611 201 1HD1 LEU 27 1HD1 LEU 27 -3.412 14.557 -4.603 202 2HD1 LEU 27 2HD1 LEU 27 -2.371 13.162 -4.313 203 3HD1 LEU 27 3HD1 LEU 27 -3.391 13.218 -5.751 204 1HD2 LEU 27 1HD2 LEU 27 -3.889 12.407 -1.899 205 2HD2 LEU 27 2HD2 LEU 27 -4.424 10.984 -2.793 206 3HD2 LEU 27 3HD2 LEU 27 -2.829 11.671 -3.100 207 H ILE 28 H ILE 28 -8.580 14.000 -4.115 208 HA ILE 28 HA ILE 28 -8.525 11.672 -5.903 209 HB ILE 28 HB ILE 28 -10.664 13.137 -4.332 210 1HG1 ILE 28 1HG1 ILE 28 -9.410 10.408 -3.913 211 2HG1 ILE 28 2HG1 ILE 28 -8.857 11.871 -3.097 212 1HG2 ILE 28 1HG2 ILE 28 -10.828 10.582 -5.959 213 2HG2 ILE 28 2HG2 ILE 28 -12.050 11.093 -4.793 214 3HG2 ILE 28 3HG2 ILE 28 -11.738 12.068 -6.229 215 1HD1 ILE 28 1HD1 ILE 28 -11.776 11.282 -2.982 216 2HD1 ILE 28 2HD1 ILE 28 -10.713 10.256 -2.020 217 3HD1 ILE 28 3HD1 ILE 28 -10.725 12.000 -1.762 218 H LYS 29 H LYS 29 -9.962 14.942 -5.932 219 HA LYS 29 HA LYS 29 -11.252 14.626 -8.508 220 1HB LYS 29 1HB LYS 29 -11.563 17.071 -8.256 221 2HB LYS 29 2HB LYS 29 -11.937 16.228 -6.753 222 1HG LYS 29 1HG LYS 29 -9.599 16.703 -5.974 223 2HG LYS 29 2HG LYS 29 -9.362 17.680 -7.424 224 1HD LYS 29 1HD LYS 29 -11.604 18.165 -5.447 225 2HD LYS 29 2HD LYS 29 -10.048 18.992 -5.368 226 1HE LYS 29 1HE LYS 29 -10.500 19.601 -7.869 227 2HE LYS 29 2HE LYS 29 -12.188 19.209 -7.482 228 1HZ LYS 29 1HZ LYS 29 -10.498 20.999 -5.823 229 2HZ LYS 29 2HZ LYS 29 -11.550 21.568 -7.029 230 3HZ LYS 29 3HZ LYS 29 -12.171 20.741 -5.686 231 H MET 30 H MET 30 -8.086 15.788 -7.435 232 HA MET 30 HA MET 30 -7.337 16.834 -10.066 233 1HB MET 30 1HB MET 30 -6.559 17.612 -7.765 234 2HB MET 30 2HB MET 30 -5.586 16.143 -7.693 235 1HG MET 30 1HG MET 30 -4.455 16.805 -9.797 236 2HG MET 30 2HG MET 30 -5.400 18.294 -9.824 237 1HE MET 30 1HE MET 30 -5.034 20.270 -8.659 238 2HE MET 30 2HE MET 30 -5.565 19.566 -7.134 239 3HE MET 30 3HE MET 30 -4.083 20.530 -7.198 240 H ALA 31 H ALA 31 -6.864 13.839 -8.240 241 HA ALA 31 HA ALA 31 -5.099 12.749 -10.374 242 1HB ALA 31 1HB ALA 31 -5.959 11.881 -7.603 243 2HB ALA 31 2HB ALA 31 -4.997 10.844 -8.659 244 3HB ALA 31 3HB ALA 31 -4.355 12.397 -8.125 245 H ARG 32 H ARG 32 -8.332 13.079 -10.022 246 HA ARG 32 HA ARG 32 -9.366 10.419 -10.396 247 1HB ARG 32 1HB ARG 32 -11.398 11.562 -10.722 248 2HB ARG 32 2HB ARG 32 -10.468 12.709 -9.758 249 1HG ARG 32 1HG ARG 32 -10.712 14.227 -11.400 250 2HG ARG 32 2HG ARG 32 -9.764 13.184 -12.459 251 1HD ARG 32 1HD ARG 32 -12.099 11.891 -12.673 252 2HD ARG 32 2HD ARG 32 -12.730 13.506 -12.289 253 HE ARG 32 HE ARG 32 -10.717 13.924 -14.193 254 1HH1 ARG 32 1HH1 ARG 32 -11.910 11.206 -15.075 255 2HH1 ARG 32 2HH1 ARG 32 -13.057 11.742 -16.256 256 1HH2 ARG 32 1HH2 ARG 32 -12.963 15.054 -15.234 257 2HH2 ARG 32 2HH2 ARG 32 -13.654 13.919 -16.346 258 H ASP 33 H ASP 33 -7.421 12.288 -12.412 259 HA ASP 33 HA ASP 33 -8.090 10.567 -14.741 260 1HB ASP 33 1HB ASP 33 -8.437 12.483 -16.179 261 2HB ASP 33 2HB ASP 33 -9.467 12.696 -14.763 262 H ILE 34 H ILE 34 -5.803 10.263 -13.262 263 HA ILE 34 HA ILE 34 -3.692 11.608 -14.921 264 HB ILE 34 HB ILE 34 -3.995 11.026 -11.997 265 1HG1 ILE 34 1HG1 ILE 34 -2.810 13.289 -13.637 266 2HG1 ILE 34 2HG1 ILE 34 -4.375 13.295 -12.823 267 1HG2 ILE 34 1HG2 ILE 34 -1.338 11.221 -13.449 268 2HG2 ILE 34 2HG2 ILE 34 -1.546 11.223 -11.697 269 3HG2 ILE 34 3HG2 ILE 34 -1.963 9.788 -12.633 270 1HD1 ILE 34 1HD1 ILE 34 -3.130 12.902 -10.649 271 2HD1 ILE 34 2HD1 ILE 34 -1.635 13.196 -11.537 272 3HD1 ILE 34 3HD1 ILE 34 -2.841 14.475 -11.394 273 H LYS 35 H LYS 35 -2.862 10.079 -16.297 274 HA LYS 35 HA LYS 35 -2.940 7.213 -15.591 275 1HB LYS 35 1HB LYS 35 -2.044 7.032 -17.937 276 2HB LYS 35 2HB LYS 35 -3.547 7.948 -17.833 277 1HG LYS 35 1HG LYS 35 -2.555 9.838 -18.569 278 2HG LYS 35 2HG LYS 35 -1.207 9.647 -17.448 279 1HD LYS 35 1HD LYS 35 -0.590 7.675 -19.166 280 2HD LYS 35 2HD LYS 35 -1.467 8.733 -20.271 281 1HE LYS 35 1HE LYS 35 0.046 10.529 -19.943 282 2HE LYS 35 2HE LYS 35 0.704 9.811 -18.459 283 1HZ LYS 35 1HZ LYS 35 0.865 8.542 -21.141 284 2HZ LYS 35 2HZ LYS 35 2.125 9.443 -20.442 285 3HZ LYS 35 3HZ LYS 35 1.607 8.004 -19.710 286 HA PRO 36 HA PRO 36 1.293 8.248 -14.101 287 1HB PRO 36 1HB PRO 36 1.203 6.573 -11.939 288 2HB PRO 36 2HB PRO 36 0.586 8.237 -11.899 289 1HG PRO 36 1HG PRO 36 -0.898 5.675 -12.176 290 2HG PRO 36 2HG PRO 36 -1.335 7.143 -11.289 291 1HD PRO 36 1HD PRO 36 -2.374 6.473 -13.729 292 2HD PRO 36 2HD PRO 36 -2.238 8.143 -13.136 293 H ILE 37 H ILE 37 3.005 7.084 -14.927 294 HA ILE 37 HA ILE 37 2.528 4.373 -15.979 295 HB ILE 37 HB ILE 37 4.944 6.214 -15.980 296 1HG1 ILE 37 1HG1 ILE 37 3.208 5.691 -18.365 297 2HG1 ILE 37 2HG1 ILE 37 2.624 6.815 -17.137 298 1HG2 ILE 37 1HG2 ILE 37 4.314 3.604 -17.358 299 2HG2 ILE 37 2HG2 ILE 37 5.462 4.747 -18.055 300 3HG2 ILE 37 3HG2 ILE 37 5.766 4.052 -16.463 301 1HD1 ILE 37 1HD1 ILE 37 5.447 7.115 -18.070 302 2HD1 ILE 37 2HD1 ILE 37 4.160 7.646 -19.153 303 3HD1 ILE 37 3HD1 ILE 37 4.303 8.349 -17.541 304 H VAL 38 H VAL 38 3.898 2.550 -15.385 305 HA VAL 38 HA VAL 38 5.324 2.835 -12.766 306 HB VAL 38 HB VAL 38 3.266 0.777 -13.626 307 1HG1 VAL 38 1HG1 VAL 38 5.332 0.780 -11.476 308 2HG1 VAL 38 2HG1 VAL 38 3.730 0.179 -11.050 309 3HG1 VAL 38 3HG1 VAL 38 4.634 -0.576 -12.362 310 1HG2 VAL 38 1HG2 VAL 38 3.336 2.847 -11.406 311 2HG2 VAL 38 2HG2 VAL 38 2.306 2.887 -12.837 312 3HG2 VAL 38 3HG2 VAL 38 2.067 1.639 -11.613 313 H GLU 39 H GLU 39 7.408 2.183 -13.127 314 HA GLU 39 HA GLU 39 7.980 0.262 -15.327 315 1HB GLU 39 1HB GLU 39 9.103 2.599 -14.708 316 2HB GLU 39 2HB GLU 39 10.062 1.586 -13.629 317 1HG GLU 39 1HG GLU 39 10.713 0.156 -15.515 318 2HG GLU 39 2HG GLU 39 9.720 1.122 -16.606 319 H ILE 40 H ILE 40 8.747 -1.802 -14.906 320 HA ILE 40 HA ILE 40 9.267 -2.515 -12.036 321 HB ILE 40 HB ILE 40 7.950 -4.150 -14.230 322 1HG1 ILE 40 1HG1 ILE 40 6.536 -2.271 -13.509 323 2HG1 ILE 40 2HG1 ILE 40 5.882 -3.792 -12.898 324 1HG2 ILE 40 1HG2 ILE 40 8.436 -4.650 -11.281 325 2HG2 ILE 40 2HG2 ILE 40 7.325 -5.608 -12.260 326 3HG2 ILE 40 3HG2 ILE 40 9.048 -5.595 -12.639 327 1HD1 ILE 40 1HD1 ILE 40 7.634 -3.045 -10.897 328 2HD1 ILE 40 2HD1 ILE 40 6.965 -1.499 -11.420 329 3HD1 ILE 40 3HD1 ILE 40 5.890 -2.784 -10.870 330 H GLN 41 H GLN 41 11.270 -3.412 -11.718 331 HA GLN 41 HA GLN 41 12.657 -4.647 -14.076 332 1HB GLN 41 1HB GLN 41 13.419 -2.329 -13.473 333 2HB GLN 41 2HB GLN 41 13.864 -2.936 -11.878 334 1HG GLN 41 1HG GLN 41 15.497 -4.435 -12.817 335 2HG GLN 41 2HG GLN 41 14.937 -4.105 -14.458 336 1HE2 GLN 41 2HE2 GLN 41 17.662 -3.658 -13.759 337 2HE2 GLN 41 1HE2 GLN 41 17.963 -1.987 -13.777 338 H GLN 42 H GLN 42 11.659 -6.635 -12.944 339 HA GLN 42 HA GLN 42 12.605 -7.452 -10.340 340 1HB GLN 42 1HB GLN 42 10.560 -8.285 -11.452 341 2HB GLN 42 2HB GLN 42 11.548 -9.022 -12.715 342 1HG GLN 42 1HG GLN 42 12.644 -10.454 -11.040 343 2HG GLN 42 2HG GLN 42 11.682 -9.708 -9.763 344 1HE2 GLN 42 2HE2 GLN 42 11.591 -12.555 -10.463 345 2HE2 GLN 42 1HE2 GLN 42 10.014 -12.881 -11.002 346 H LYS 43 H LYS 43 14.027 -9.427 -10.051 347 HA LYS 43 HA LYS 43 15.902 -10.126 -12.186 348 1HB LYS 43 1HB LYS 43 16.491 -8.092 -10.071 349 2HB LYS 43 2HB LYS 43 17.793 -9.180 -10.552 350 1HG LYS 43 1HG LYS 43 17.133 -8.553 -12.983 351 2HG LYS 43 2HG LYS 43 16.287 -7.193 -12.244 352 1HD LYS 43 1HD LYS 43 19.199 -7.826 -11.710 353 2HD LYS 43 2HD LYS 43 18.665 -6.691 -12.950 354 1HE LYS 43 1HE LYS 43 17.437 -5.405 -11.170 355 2HE LYS 43 2HE LYS 43 18.169 -6.478 -9.960 356 1HZ LYS 43 1HZ LYS 43 19.665 -4.884 -11.975 357 2HZ LYS 43 2HZ LYS 43 19.531 -4.498 -10.326 358 3HZ LYS 43 3HZ LYS 43 20.352 -5.904 -10.803 359 H GLY 44 H GLY 44 14.218 -11.703 -10.541 360 1HA GLY 44 1HA GLY 44 15.037 -13.949 -9.762 361 2HA GLY 44 2HA GLY 44 16.224 -13.074 -8.792 362 H ASP 45 H ASP 45 15.642 -12.463 -6.743 363 HA ASP 45 HA ASP 45 12.813 -13.004 -5.925 364 1HB ASP 45 1HB ASP 45 15.518 -13.101 -4.602 365 2HB ASP 45 2HB ASP 45 14.059 -12.980 -3.618 366 H ASP 46 H ASP 46 14.823 -10.447 -6.702 367 HA ASP 46 HA ASP 46 13.670 -8.609 -4.651 368 1HB ASP 46 1HB ASP 46 16.110 -8.649 -5.004 369 2HB ASP 46 2HB ASP 46 15.874 -8.296 -6.717 370 H PHE 47 H PHE 47 12.470 -6.761 -5.318 371 HA PHE 47 HA PHE 47 11.684 -6.680 -8.212 372 1HB PHE 47 1HB PHE 47 10.130 -7.111 -5.747 373 2HB PHE 47 2HB PHE 47 9.455 -5.867 -6.800 374 HD1 PHE 47 HD1 PHE 47 10.974 -9.294 -7.039 375 HD2 PHE 47 HD2 PHE 47 8.029 -6.537 -8.514 376 HE1 PHE 47 HE1 PHE 47 10.087 -11.049 -8.550 377 HE2 PHE 47 HE2 PHE 47 7.142 -8.292 -10.026 378 HZ PHE 47 HZ PHE 47 8.171 -10.549 -10.044 379 H VAL 48 H VAL 48 11.721 -4.619 -9.072 380 HA VAL 48 HA VAL 48 12.066 -2.332 -7.158 381 HB VAL 48 HB VAL 48 13.182 -2.761 -9.950 382 1HG1 VAL 48 1HG1 VAL 48 12.694 -0.368 -8.807 383 2HG1 VAL 48 2HG1 VAL 48 14.261 -0.715 -8.078 384 3HG1 VAL 48 3HG1 VAL 48 14.098 -0.660 -9.834 385 1HG2 VAL 48 1HG2 VAL 48 14.338 -3.088 -7.175 386 2HG2 VAL 48 2HG2 VAL 48 14.345 -4.247 -8.505 387 3HG2 VAL 48 3HG2 VAL 48 15.369 -2.812 -8.580 388 H VAL 49 H VAL 49 10.091 -1.287 -7.161 389 HA VAL 49 HA VAL 49 8.695 -0.919 -9.788 390 HB VAL 49 HB VAL 49 7.732 -0.766 -6.911 391 1HG1 VAL 49 1HG1 VAL 49 6.590 0.174 -9.396 392 2HG1 VAL 49 2HG1 VAL 49 5.593 -1.114 -8.721 393 3HG1 VAL 49 3HG1 VAL 49 5.950 0.320 -7.759 394 1HG2 VAL 49 1HG2 VAL 49 8.382 -3.014 -8.296 395 2HG2 VAL 49 2HG2 VAL 49 7.091 -2.956 -7.096 396 3HG2 VAL 49 3HG2 VAL 49 6.708 -2.803 -8.811 397 H THR 50 H THR 50 8.621 1.144 -10.603 398 HA THR 50 HA THR 50 9.147 3.426 -8.727 399 HB THR 50 HB THR 50 10.174 2.974 -11.549 400 HG1 THR 50 HG1 THR 50 11.648 3.169 -9.149 401 1HG2 THR 50 1HG2 THR 50 10.891 5.176 -9.602 402 2HG2 THR 50 2HG2 THR 50 11.366 5.042 -11.295 403 3HG2 THR 50 3HG2 THR 50 9.685 5.368 -10.874 404 H SER 51 H SER 51 7.094 4.343 -8.649 405 HA SER 51 HA SER 51 5.444 4.524 -11.095 406 1HB SER 51 1HB SER 51 5.035 5.445 -8.231 407 2HB SER 51 2HB SER 51 3.792 5.425 -9.479 408 HG SER 51 HG SER 51 3.940 3.207 -9.557 409 H LYS 52 H LYS 52 5.161 6.418 -12.261 410 HA LYS 52 HA LYS 52 6.409 8.920 -11.170 411 1HB LYS 52 1HB LYS 52 6.559 7.690 -13.941 412 2HB LYS 52 2HB LYS 52 7.139 9.311 -13.554 413 1HG LYS 52 1HG LYS 52 8.648 8.325 -11.832 414 2HG LYS 52 2HG LYS 52 8.120 6.717 -12.329 415 1HD LYS 52 1HD LYS 52 8.925 7.179 -14.629 416 2HD LYS 52 2HD LYS 52 9.504 8.758 -14.094 417 1HE LYS 52 1HE LYS 52 11.328 7.866 -13.035 418 2HE LYS 52 2HE LYS 52 10.422 6.451 -12.462 419 1HZ LYS 52 1HZ LYS 52 11.199 6.921 -15.291 420 2HZ LYS 52 2HZ LYS 52 12.033 5.893 -14.226 421 3HZ LYS 52 3HZ LYS 52 10.432 5.542 -14.670 422 H THR 53 H THR 53 4.690 10.294 -10.861 423 HA THR 53 HA THR 53 2.344 10.155 -12.681 424 HB THR 53 HB THR 53 1.868 12.091 -10.773 425 HG1 THR 53 HG1 THR 53 2.717 10.968 -8.855 426 1HG2 THR 53 1HG2 THR 53 0.689 10.262 -9.553 427 2HG2 THR 53 2HG2 THR 53 0.382 10.230 -11.289 428 3HG2 THR 53 3HG2 THR 53 1.519 9.087 -10.573 429 HA PRO 54 HA PRO 54 3.319 13.847 -14.839 430 1HB PRO 54 1HB PRO 54 0.920 15.160 -14.935 431 2HB PRO 54 2HB PRO 54 1.257 13.696 -15.878 432 1HG PRO 54 1HG PRO 54 -0.268 14.005 -13.343 433 2HG PRO 54 2HG PRO 54 -0.582 12.949 -14.729 434 1HD PRO 54 1HD PRO 54 0.548 12.093 -12.391 435 2HD PRO 54 2HD PRO 54 0.821 11.314 -13.965 436 H ARG 55 H ARG 55 2.026 14.073 -11.634 437 HA ARG 55 HA ARG 55 2.784 16.961 -11.441 438 1HB ARG 55 1HB ARG 55 0.510 16.374 -10.778 439 2HB ARG 55 2HB ARG 55 1.116 15.110 -9.707 440 1HG ARG 55 1HG ARG 55 2.269 16.800 -8.341 441 2HG ARG 55 2HG ARG 55 1.694 18.074 -9.419 442 1HD ARG 55 1HD ARG 55 -0.604 17.672 -8.803 443 2HD ARG 55 2HD ARG 55 -0.164 16.199 -7.916 444 HE ARG 55 HE ARG 55 0.882 18.889 -7.110 445 1HH1 ARG 55 1HH1 ARG 55 1.523 15.999 -5.992 446 2HH1 ARG 55 2HH1 ARG 55 0.675 16.095 -4.485 447 1HH2 ARG 55 1HH2 ARG 55 -1.096 18.944 -5.360 448 2HH2 ARG 55 2HH2 ARG 55 -0.808 17.762 -4.128 449 H GLN 56 H GLN 56 3.732 13.766 -10.493 450 HA GLN 56 HA GLN 56 6.157 14.761 -9.215 451 1HB GLN 56 1HB GLN 56 5.594 13.934 -6.965 452 2HB GLN 56 2HB GLN 56 4.411 15.136 -7.481 453 1HG GLN 56 1HG GLN 56 2.789 13.466 -7.998 454 2HG GLN 56 2HG GLN 56 3.986 12.173 -7.903 455 1HE2 GLN 56 2HE2 GLN 56 4.312 11.200 -5.867 456 2HE2 GLN 56 1HE2 GLN 56 3.614 11.759 -4.425 457 H THR 57 H THR 57 7.558 12.925 -8.539 458 HA THR 57 HA THR 57 6.714 10.310 -9.745 459 HB THR 57 HB THR 57 9.229 10.209 -10.356 460 HG1 THR 57 HG1 THR 57 10.133 11.852 -9.324 461 1HG2 THR 57 1HG2 THR 57 7.937 12.462 -11.821 462 2HG2 THR 57 2HG2 THR 57 8.716 11.013 -12.452 463 3HG2 THR 57 3HG2 THR 57 7.086 10.917 -11.787 464 H VAL 58 H VAL 58 7.112 8.542 -8.435 465 HA VAL 58 HA VAL 58 8.906 8.929 -6.064 466 HB VAL 58 HB VAL 58 6.196 7.563 -6.150 467 1HG1 VAL 58 1HG1 VAL 58 7.858 6.698 -4.475 468 2HG1 VAL 58 2HG1 VAL 58 7.943 8.320 -3.790 469 3HG1 VAL 58 3HG1 VAL 58 6.427 7.419 -3.738 470 1HG2 VAL 58 1HG2 VAL 58 7.059 10.273 -5.095 471 2HG2 VAL 58 2HG2 VAL 58 5.911 9.963 -6.398 472 3HG2 VAL 58 3HG2 VAL 58 5.501 9.527 -4.740 473 H THR 59 H THR 59 10.427 7.322 -5.981 474 HA THR 59 HA THR 59 9.918 4.814 -7.540 475 HB THR 59 HB THR 59 11.819 6.382 -8.133 476 HG1 THR 59 HG1 THR 59 12.512 3.796 -7.195 477 1HG2 THR 59 1HG2 THR 59 13.056 5.355 -5.572 478 2HG2 THR 59 2HG2 THR 59 13.697 6.580 -6.665 479 3HG2 THR 59 3HG2 THR 59 12.272 6.931 -5.688 480 H ASN 60 H ASN 60 10.046 2.841 -6.465 481 HA ASN 60 HA ASN 60 10.946 2.859 -3.608 482 1HB ASN 60 1HB ASN 60 8.418 1.648 -4.778 483 2HB ASN 60 2HB ASN 60 8.933 1.489 -3.099 484 1HD2 ASN 60 2HD2 ASN 60 9.788 4.065 -2.470 485 2HD2 ASN 60 1HD2 ASN 60 8.502 5.163 -2.630 486 H SER 61 H SER 61 11.886 0.873 -2.934 487 HA SER 61 HA SER 61 12.059 -1.311 -4.969 488 1HB SER 61 1HB SER 61 14.311 0.133 -3.543 489 2HB SER 61 2HB SER 61 14.534 -1.375 -4.425 490 HG SER 61 HG SER 61 14.921 0.167 -5.908 491 H PHE 62 H PHE 62 11.743 -3.285 -4.003 492 HA PHE 62 HA PHE 62 12.453 -3.628 -1.127 493 1HB PHE 62 1HB PHE 62 10.157 -4.656 -0.822 494 2HB PHE 62 2HB PHE 62 10.137 -2.920 -1.135 495 HD1 PHE 62 HD1 PHE 62 9.567 -6.263 -2.619 496 HD2 PHE 62 HD2 PHE 62 9.253 -2.017 -3.189 497 HE1 PHE 62 HE1 PHE 62 8.154 -6.637 -4.623 498 HE2 PHE 62 HE2 PHE 62 7.842 -2.391 -5.194 499 HZ PHE 62 HZ PHE 62 7.291 -4.700 -5.911 500 H THR 63 H THR 63 12.101 -6.056 -0.543 501 HA THR 63 HA THR 63 12.871 -7.744 -2.904 502 HB THR 63 HB THR 63 13.701 -7.921 0.012 503 HG1 THR 63 HG1 THR 63 15.041 -6.447 -0.620 504 1HG2 THR 63 1HG2 THR 63 14.884 -9.389 -2.347 505 2HG2 THR 63 2HG2 THR 63 15.133 -9.706 -0.630 506 3HG2 THR 63 3HG2 THR 63 13.578 -10.073 -1.378 507 H LEU 64 H LEU 64 11.833 -9.754 -3.083 508 HA LEU 64 HA LEU 64 9.305 -10.095 -1.690 509 1HB LEU 64 1HB LEU 64 10.963 -11.749 -3.612 510 2HB LEU 64 2HB LEU 64 9.378 -12.267 -3.036 511 HG LEU 64 HG LEU 64 9.739 -9.527 -4.228 512 1HD1 LEU 64 1HD1 LEU 64 9.603 -12.177 -5.631 513 2HD1 LEU 64 2HD1 LEU 64 8.799 -10.782 -6.350 514 3HD1 LEU 64 3HD1 LEU 64 10.537 -10.741 -6.050 515 1HD2 LEU 64 1HD2 LEU 64 7.501 -11.435 -3.630 516 2HD2 LEU 64 2HD2 LEU 64 7.608 -9.705 -3.304 517 3HD2 LEU 64 3HD2 LEU 64 7.303 -10.276 -4.945 518 H GLY 65 H GLY 65 9.016 -11.136 0.244 519 1HA GLY 65 1HA GLY 65 9.343 -13.029 1.727 520 2HA GLY 65 2HA GLY 65 10.948 -13.256 1.031 521 H LYS 66 H LYS 66 10.667 -10.011 1.424 522 HA LYS 66 HA LYS 66 11.590 -10.051 4.273 523 1HB LYS 66 1HB LYS 66 12.923 -8.870 1.819 524 2HB LYS 66 2HB LYS 66 13.396 -8.445 3.465 525 1HG LYS 66 1HG LYS 66 13.817 -10.851 3.939 526 2HG LYS 66 2HG LYS 66 13.423 -11.229 2.262 527 1HD LYS 66 1HD LYS 66 15.807 -11.063 2.353 528 2HD LYS 66 2HD LYS 66 15.245 -9.572 1.597 529 1HE LYS 66 1HE LYS 66 15.190 -8.802 4.199 530 2HE LYS 66 2HE LYS 66 16.527 -9.969 4.247 531 1HZ LYS 66 1HZ LYS 66 17.369 -8.871 2.179 532 2HZ LYS 66 2HZ LYS 66 16.225 -7.640 2.433 533 3HZ LYS 66 3HZ LYS 66 17.455 -7.909 3.573 534 H GLU 67 H GLU 67 11.038 -8.164 5.428 535 HA GLU 67 HA GLU 67 8.838 -6.578 4.443 536 1HB GLU 67 1HB GLU 67 9.265 -7.166 6.812 537 2HB GLU 67 2HB GLU 67 10.731 -6.185 6.785 538 1HG GLU 67 1HG GLU 67 9.372 -4.187 6.237 539 2HG GLU 67 2HG GLU 67 7.911 -5.172 6.317 540 H ALA 68 H ALA 68 8.967 -4.795 3.140 541 HA ALA 68 HA ALA 68 11.545 -3.255 3.098 542 1HB ALA 68 1HB ALA 68 10.720 -4.834 1.119 543 2HB ALA 68 2HB ALA 68 9.720 -3.435 0.727 544 3HB ALA 68 3HB ALA 68 11.476 -3.279 0.772 545 H ASP 69 H ASP 69 11.305 -0.962 2.820 546 HA ASP 69 HA ASP 69 8.790 0.134 3.860 547 1HB ASP 69 1HB ASP 69 11.380 1.397 2.900 548 2HB ASP 69 2HB ASP 69 10.112 2.238 3.792 549 H ILE 70 H ILE 70 7.199 1.092 2.628 550 HA ILE 70 HA ILE 70 7.796 1.596 -0.271 551 HB ILE 70 HB ILE 70 5.422 0.349 1.132 552 1HG1 ILE 70 1HG1 ILE 70 7.312 -1.128 0.521 553 2HG1 ILE 70 2HG1 ILE 70 5.882 -1.493 -0.447 554 1HG2 ILE 70 1HG2 ILE 70 4.771 2.087 -0.618 555 2HG2 ILE 70 2HG2 ILE 70 5.573 1.059 -1.807 556 3HG2 ILE 70 3HG2 ILE 70 4.180 0.452 -0.912 557 1HD1 ILE 70 1HD1 ILE 70 7.184 0.490 -1.908 558 2HD1 ILE 70 2HD1 ILE 70 8.497 -0.522 -1.308 559 3HD1 ILE 70 3HD1 ILE 70 7.199 -1.237 -2.263 560 H THR 71 H THR 71 6.882 3.503 -1.133 561 HA THR 71 HA THR 71 5.510 5.300 0.844 562 HB THR 71 HB THR 71 7.219 6.172 -1.489 563 HG1 THR 71 HG1 THR 71 8.168 5.861 1.145 564 1HG2 THR 71 1HG2 THR 71 7.611 8.027 0.350 565 2HG2 THR 71 2HG2 THR 71 6.147 8.044 -0.632 566 3HG2 THR 71 3HG2 THR 71 6.102 7.394 1.007 567 H THR 72 H THR 72 3.568 6.163 0.161 568 HA THR 72 HA THR 72 2.478 5.291 -2.433 569 HB THR 72 HB THR 72 0.881 7.161 -0.872 570 HG1 THR 72 HG1 THR 72 0.866 5.311 0.832 571 1HG2 THR 72 1HG2 THR 72 -0.263 4.693 -0.611 572 2HG2 THR 72 2HG2 THR 72 -0.484 5.743 -2.010 573 3HG2 THR 72 3HG2 THR 72 0.725 4.460 -2.054 574 H MET 73 H MET 73 1.582 6.842 -3.986 575 HA MET 73 HA MET 73 3.321 9.074 -4.545 576 1HB MET 73 1HB MET 73 1.695 7.503 -5.978 577 2HB MET 73 2HB MET 73 0.577 8.842 -5.711 578 1HG MET 73 1HG MET 73 1.691 10.192 -7.142 579 2HG MET 73 2HG MET 73 3.257 9.748 -6.463 580 1HE MET 73 1HE MET 73 0.251 8.498 -8.295 581 2HE MET 73 2HE MET 73 0.818 7.348 -9.502 582 3HE MET 73 3HE MET 73 0.765 6.889 -7.795 583 H ASP 74 H ASP 74 0.514 8.725 -2.561 584 HA ASP 74 HA ASP 74 -0.288 11.552 -2.693 585 1HB ASP 74 1HB ASP 74 -1.952 9.822 -2.362 586 2HB ASP 74 2HB ASP 74 -1.066 9.170 -0.984 587 H GLY 75 H GLY 75 2.090 9.740 -1.037 588 1HA GLY 75 1HA GLY 75 3.762 10.931 0.307 589 2HA GLY 75 2HA GLY 75 2.480 12.008 0.864 590 H LYS 76 H LYS 76 2.045 8.530 0.654 591 HA LYS 76 HA LYS 76 1.713 8.469 3.623 592 1HB LYS 76 1HB LYS 76 0.440 7.271 1.266 593 2HB LYS 76 2HB LYS 76 0.765 6.095 2.540 594 1HG LYS 76 1HG LYS 76 -0.322 7.674 4.173 595 2HG LYS 76 2HG LYS 76 -0.793 8.681 2.802 596 1HD LYS 76 1HD LYS 76 -1.983 6.725 1.817 597 2HD LYS 76 2HD LYS 76 -1.582 5.787 3.257 598 1HE LYS 76 1HE LYS 76 -2.730 7.667 4.601 599 2HE LYS 76 2HE LYS 76 -3.401 8.196 3.046 600 1HZ LYS 76 1HZ LYS 76 -4.083 5.835 2.691 601 2HZ LYS 76 2HZ LYS 76 -3.670 5.523 4.309 602 3HZ LYS 76 3HZ LYS 76 -4.912 6.620 3.949 603 H LYS 77 H LYS 77 3.151 7.288 4.842 604 HA LYS 77 HA LYS 77 5.184 5.643 3.387 605 1HB LYS 77 1HB LYS 77 5.873 7.629 4.760 606 2HB LYS 77 2HB LYS 77 5.208 6.825 6.182 607 1HG LYS 77 1HG LYS 77 6.763 4.969 5.916 608 2HG LYS 77 2HG LYS 77 7.373 5.656 4.412 609 1HD LYS 77 1HD LYS 77 8.172 7.642 5.635 610 2HD LYS 77 2HD LYS 77 7.558 6.962 7.142 611 1HE LYS 77 1HE LYS 77 9.600 5.546 5.397 612 2HE LYS 77 2HE LYS 77 10.031 6.560 6.788 613 1HZ LYS 77 1HZ LYS 77 8.426 5.212 8.108 614 2HZ LYS 77 2HZ LYS 77 8.299 4.149 6.790 615 3HZ LYS 77 3HZ LYS 77 9.786 4.342 7.579 616 H LEU 78 H LEU 78 5.289 3.453 3.812 617 HA LEU 78 HA LEU 78 4.281 2.292 6.298 618 1HB LEU 78 1HB LEU 78 2.435 1.059 5.188 619 2HB LEU 78 2HB LEU 78 2.201 2.803 5.070 620 HG LEU 78 HG LEU 78 3.789 1.966 2.843 621 1HD1 LEU 78 1HD1 LEU 78 2.206 -0.149 3.676 622 2HD1 LEU 78 2HD1 LEU 78 1.200 0.641 2.462 623 3HD1 LEU 78 3HD1 LEU 78 2.819 0.083 2.040 624 1HD2 LEU 78 1HD2 LEU 78 1.038 3.116 3.291 625 2HD2 LEU 78 2HD2 LEU 78 2.469 3.906 2.628 626 3HD2 LEU 78 3HD2 LEU 78 1.588 2.720 1.663 627 H LYS 79 H LYS 79 4.681 -0.056 6.346 628 HA LYS 79 HA LYS 79 6.789 -0.865 4.387 629 1HB LYS 79 1HB LYS 79 6.052 -2.020 7.094 630 2HB LYS 79 2HB LYS 79 7.528 -2.331 6.179 631 1HG LYS 79 1HG LYS 79 8.276 -0.063 6.457 632 2HG LYS 79 2HG LYS 79 6.717 0.430 7.122 633 1HD LYS 79 1HD LYS 79 8.204 0.158 8.988 634 2HD LYS 79 2HD LYS 79 7.117 -1.231 9.001 635 1HE LYS 79 1HE LYS 79 8.922 -2.459 7.631 636 2HE LYS 79 2HE LYS 79 10.006 -1.135 8.107 637 1HZ LYS 79 1HZ LYS 79 9.295 -1.515 10.430 638 2HZ LYS 79 2HZ LYS 79 8.433 -2.884 9.923 639 3HZ LYS 79 3HZ LYS 79 10.125 -2.842 9.769 640 H CYS 80 H CYS 80 6.610 -2.881 3.309 641 HA CYS 80 HA CYS 80 4.224 -4.572 3.814 642 1HB CYS 80 1HB CYS 80 4.632 -2.676 1.583 643 2HB CYS 80 2HB CYS 80 4.113 -4.287 1.089 644 HG CYS 80 HG CYS 80 2.438 -2.294 2.751 645 H THR 81 H THR 81 4.658 -6.719 3.304 646 HA THR 81 HA THR 81 7.362 -7.307 2.180 647 HB THR 81 HB THR 81 5.439 -9.188 3.566 648 HG1 THR 81 HG1 THR 81 6.436 -8.553 5.485 649 1HG2 THR 81 1HG2 THR 81 7.842 -9.990 4.340 650 2HG2 THR 81 2HG2 THR 81 7.201 -10.465 2.767 651 3HG2 THR 81 3HG2 THR 81 8.354 -9.136 2.884 652 H VAL 82 H VAL 82 6.734 -7.064 -0.079 653 HA VAL 82 HA VAL 82 4.519 -8.204 -1.382 654 HB VAL 82 HB VAL 82 7.372 -8.079 -2.407 655 1HG1 VAL 82 1HG1 VAL 82 4.631 -8.039 -3.673 656 2HG1 VAL 82 2HG1 VAL 82 6.041 -7.393 -4.514 657 3HG1 VAL 82 3HG1 VAL 82 5.996 -9.092 -4.045 658 1HG2 VAL 82 1HG2 VAL 82 5.460 -5.961 -1.602 659 2HG2 VAL 82 2HG2 VAL 82 7.218 -5.899 -1.734 660 3HG2 VAL 82 3HG2 VAL 82 6.219 -5.734 -3.178 661 H HIS 83 H HIS 83 4.330 -10.232 -2.587 662 HA HIS 83 HA HIS 83 6.270 -12.387 -2.028 663 1HB HIS 83 1HB HIS 83 4.030 -11.858 -0.356 664 2HB HIS 83 2HB HIS 83 3.659 -13.326 -1.261 665 HD1 HIS 83 HD1 HIS 83 6.175 -11.900 1.161 666 HD2 HIS 83 HD2 HIS 83 5.252 -15.564 -0.599 667 HE1 HIS 83 HE1 HIS 83 7.565 -13.642 2.363 668 H LEU 84 H LEU 84 6.080 -14.061 -3.560 669 HA LEU 84 HA LEU 84 4.149 -13.560 -5.775 670 1HB LEU 84 1HB LEU 84 6.890 -14.478 -5.452 671 2HB LEU 84 2HB LEU 84 5.957 -15.610 -6.434 672 HG LEU 84 HG LEU 84 5.114 -13.251 -7.485 673 1HD1 LEU 84 1HD1 LEU 84 6.850 -12.154 -5.906 674 2HD1 LEU 84 2HD1 LEU 84 8.060 -12.803 -7.013 675 3HD1 LEU 84 3HD1 LEU 84 6.853 -11.656 -7.597 676 1HD2 LEU 84 1HD2 LEU 84 7.613 -14.798 -8.245 677 2HD2 LEU 84 2HD2 LEU 84 5.967 -15.188 -8.742 678 3HD2 LEU 84 3HD2 LEU 84 6.732 -13.704 -9.313 679 H ALA 85 H ALA 85 2.235 -14.641 -5.286 680 HA ALA 85 HA ALA 85 2.471 -17.545 -4.561 681 1HB ALA 85 1HB ALA 85 1.570 -15.698 -2.902 682 2HB ALA 85 2HB ALA 85 0.103 -15.828 -3.871 683 3HB ALA 85 3HB ALA 85 0.730 -17.244 -3.027 684 H ASN 86 H ASN 86 0.937 -18.946 -5.589 685 HA ASN 86 HA ASN 86 -0.370 -19.671 -7.423 686 1HB ASN 86 1HB ASN 86 -1.479 -16.928 -6.763 687 2HB ASN 86 2HB ASN 86 -2.265 -18.038 -7.886 688 1HD2 ASN 86 2HD2 ASN 86 -3.378 -17.156 -5.300 689 2HD2 ASN 86 1HD2 ASN 86 -3.557 -18.550 -4.349 690 H GLY 87 H GLY 87 2.072 -17.682 -7.800 691 1HA GLY 87 1HA GLY 87 3.234 -17.098 -9.782 692 2HA GLY 87 2HA GLY 87 1.819 -17.590 -10.717 693 H LYS 88 H LYS 88 1.930 -15.245 -8.050 694 HA LYS 88 HA LYS 88 1.737 -12.943 -9.855 695 1HB LYS 88 1HB LYS 88 -0.592 -12.426 -9.252 696 2HB LYS 88 2HB LYS 88 -0.502 -14.025 -9.991 697 1HG LYS 88 1HG LYS 88 -1.091 -15.088 -8.066 698 2HG LYS 88 2HG LYS 88 -0.140 -13.995 -7.059 699 1HD LYS 88 1HD LYS 88 -2.409 -13.545 -6.492 700 2HD LYS 88 2HD LYS 88 -1.930 -12.226 -7.562 701 1HE LYS 88 1HE LYS 88 -3.034 -13.268 -9.454 702 2HE LYS 88 2HE LYS 88 -3.366 -14.733 -8.506 703 1HZ LYS 88 1HZ LYS 88 -4.265 -12.029 -7.679 704 2HZ LYS 88 2HZ LYS 88 -5.237 -13.081 -8.593 705 3HZ LYS 88 3HZ LYS 88 -4.743 -13.526 -7.032 706 H LEU 89 H LEU 89 2.486 -11.169 -8.738 707 HA LEU 89 HA LEU 89 3.445 -11.342 -6.058 708 1HB LEU 89 1HB LEU 89 4.119 -9.779 -7.946 709 2HB LEU 89 2HB LEU 89 2.659 -8.851 -7.596 710 HG LEU 89 HG LEU 89 4.295 -9.472 -5.224 711 1HD1 LEU 89 1HD1 LEU 89 5.472 -8.218 -7.625 712 2HD1 LEU 89 2HD1 LEU 89 5.671 -7.288 -6.140 713 3HD1 LEU 89 3HD1 LEU 89 6.269 -8.944 -6.228 714 1HD2 LEU 89 1HD2 LEU 89 3.004 -6.999 -6.413 715 2HD2 LEU 89 2HD2 LEU 89 2.401 -7.974 -5.073 716 3HD2 LEU 89 3HD2 LEU 89 3.862 -7.006 -4.873 717 H VAL 90 H VAL 90 2.543 -10.615 -4.094 718 HA VAL 90 HA VAL 90 -0.162 -9.389 -4.114 719 HB VAL 90 HB VAL 90 0.508 -12.012 -2.739 720 1HG1 VAL 90 1HG1 VAL 90 -1.475 -10.093 -2.196 721 2HG1 VAL 90 2HG1 VAL 90 -2.299 -11.372 -3.088 722 3HG1 VAL 90 3HG1 VAL 90 -1.423 -11.754 -1.606 723 1HG2 VAL 90 1HG2 VAL 90 -0.543 -11.342 -5.417 724 2HG2 VAL 90 2HG2 VAL 90 0.201 -12.835 -4.842 725 3HG2 VAL 90 3HG2 VAL 90 -1.507 -12.523 -4.528 726 H THR 91 H THR 91 0.258 -7.637 -2.805 727 HA THR 91 HA THR 91 1.972 -8.041 -0.386 728 HB THR 91 HB THR 91 1.080 -5.544 -1.869 729 HG1 THR 91 HG1 THR 91 3.498 -7.021 -1.844 730 1HG2 THR 91 1HG2 THR 91 3.050 -4.582 -0.516 731 2HG2 THR 91 2HG2 THR 91 1.548 -4.886 0.355 732 3HG2 THR 91 3HG2 THR 91 2.894 -6.018 0.494 733 H LYS 92 H LYS 92 0.431 -8.794 1.132 734 HA LYS 92 HA LYS 92 -2.098 -7.271 1.474 735 1HB LYS 92 1HB LYS 92 -2.617 -9.159 3.000 736 2HB LYS 92 2HB LYS 92 -2.091 -9.740 1.419 737 1HG LYS 92 1HG LYS 92 0.217 -10.008 2.321 738 2HG LYS 92 2HG LYS 92 -0.376 -9.525 3.910 739 1HD LYS 92 1HD LYS 92 -0.336 -11.944 3.836 740 2HD LYS 92 2HD LYS 92 -2.022 -11.427 3.794 741 1HE LYS 92 1HE LYS 92 -2.278 -11.988 1.535 742 2HE LYS 92 2HE LYS 92 -0.537 -11.864 1.208 743 1HZ LYS 92 1HZ LYS 92 -1.703 -13.856 3.072 744 2HZ LYS 92 2HZ LYS 92 -1.396 -14.192 1.435 745 3HZ LYS 92 3HZ LYS 92 -0.115 -13.801 2.480 746 H SER 93 H SER 93 -2.684 -6.586 3.718 747 HA SER 93 HA SER 93 -0.434 -6.209 5.612 748 1HB SER 93 1HB SER 93 -0.391 -4.358 3.903 749 2HB SER 93 2HB SER 93 -2.009 -3.898 4.429 750 HG SER 93 HG SER 93 -1.203 -3.107 6.225 751 H GLU 94 H GLU 94 -1.655 -4.351 7.286 752 HA GLU 94 HA GLU 94 -4.020 -5.896 8.251 753 1HB GLU 94 1HB GLU 94 -1.912 -4.116 9.450 754 2HB GLU 94 2HB GLU 94 -3.424 -4.382 10.319 755 1HG GLU 94 1HG GLU 94 -3.014 -6.888 9.954 756 2HG GLU 94 2HG GLU 94 -1.376 -6.438 9.480 757 H LYS 95 H LYS 95 -4.207 -3.915 6.042 758 HA LYS 95 HA LYS 95 -6.522 -2.449 6.958 759 1HB LYS 95 1HB LYS 95 -5.426 -0.180 6.763 760 2HB LYS 95 2HB LYS 95 -4.842 -1.139 8.124 761 1HG LYS 95 1HG LYS 95 -2.777 -1.502 7.166 762 2HG LYS 95 2HG LYS 95 -3.412 -1.435 5.522 763 1HD LYS 95 1HD LYS 95 -3.110 0.810 5.366 764 2HD LYS 95 2HD LYS 95 -3.675 1.091 7.014 765 1HE LYS 95 1HE LYS 95 -1.426 0.080 7.779 766 2HE LYS 95 2HE LYS 95 -0.899 0.312 6.100 767 1HZ LYS 95 1HZ LYS 95 -2.118 2.419 7.806 768 2HZ LYS 95 2HZ LYS 95 -0.456 2.277 7.486 769 3HZ LYS 95 3HZ LYS 95 -1.541 2.620 6.224 770 H PHE 96 H PHE 96 -4.632 -3.754 4.594 771 HA PHE 96 HA PHE 96 -6.351 -3.013 2.431 772 1HB PHE 96 1HB PHE 96 -4.953 -1.378 1.298 773 2HB PHE 96 2HB PHE 96 -5.216 -0.821 2.951 774 HD1 PHE 96 HD1 PHE 96 -2.898 -3.342 1.412 775 HD2 PHE 96 HD2 PHE 96 -3.303 0.215 3.785 776 HE1 PHE 96 HE1 PHE 96 -0.448 -3.319 1.796 777 HE2 PHE 96 HE2 PHE 96 -0.853 0.238 4.170 778 HZ PHE 96 HZ PHE 96 0.574 -1.529 3.174 779 H SER 97 H SER 97 -5.884 -4.313 0.630 780 HA SER 97 HA SER 97 -3.394 -5.978 0.822 781 1HB SER 97 1HB SER 97 -6.134 -6.597 -0.328 782 2HB SER 97 2HB SER 97 -4.779 -7.720 -0.264 783 HG SER 97 HG SER 97 -6.552 -7.472 1.545 784 H HIS 98 H HIS 98 -2.600 -6.743 -1.352 785 HA HIS 98 HA HIS 98 -3.389 -5.023 -3.650 786 1HB HIS 98 1HB HIS 98 -1.599 -3.887 -2.324 787 2HB HIS 98 2HB HIS 98 -0.562 -5.291 -2.576 788 HD2 HIS 98 HD2 HIS 98 -1.564 -2.053 -4.437 789 HE1 HIS 98 HE1 HIS 98 0.460 -4.481 -7.253 790 HE2 HIS 98 HE2 HIS 98 -0.477 -2.189 -6.785 791 H GLU 99 H GLU 99 -3.108 -6.094 -5.620 792 HA GLU 99 HA GLU 99 -1.407 -8.515 -5.756 793 1HB GLU 99 1HB GLU 99 -4.420 -8.511 -6.146 794 2HB GLU 99 2HB GLU 99 -3.363 -9.889 -6.460 795 1HG GLU 99 1HG GLU 99 -3.737 -10.460 -4.302 796 2HG GLU 99 2HG GLU 99 -2.642 -9.138 -3.897 797 H GLN 100 H GLN 100 -0.462 -8.520 -7.760 798 HA GLN 100 HA GLN 100 -1.936 -7.227 -10.030 799 1HB GLN 100 1HB GLN 100 -0.243 -5.708 -9.121 800 2HB GLN 100 2HB GLN 100 0.981 -6.975 -9.224 801 1HG GLN 100 1HG GLN 100 0.739 -7.042 -11.665 802 2HG GLN 100 2HG GLN 100 -0.526 -5.816 -11.587 803 1HE2 GLN 100 2HE2 GLN 100 0.628 -4.133 -12.691 804 2HE2 GLN 100 1HE2 GLN 100 2.037 -3.424 -12.065 805 H GLU 101 H GLU 101 -1.298 -8.077 -12.148 806 HA GLU 101 HA GLU 101 0.444 -10.461 -12.234 807 1HB GLU 101 1HB GLU 101 -1.857 -11.143 -11.404 808 2HB GLU 101 2HB GLU 101 -2.495 -10.625 -12.965 809 1HG GLU 101 1HG GLU 101 -1.037 -12.222 -14.121 810 2HG GLU 101 2HG GLU 101 -0.332 -12.716 -12.581 811 H VAL 102 H VAL 102 0.949 -11.060 -14.442 812 HA VAL 102 HA VAL 102 0.147 -8.991 -16.465 813 HB VAL 102 HB VAL 102 2.526 -9.013 -15.636 814 1HG1 VAL 102 1HG1 VAL 102 2.669 -11.463 -15.281 815 2HG1 VAL 102 2HG1 VAL 102 2.572 -11.712 -17.024 816 3HG1 VAL 102 3HG1 VAL 102 3.965 -10.884 -16.327 817 1HG2 VAL 102 1HG2 VAL 102 1.758 -9.502 -18.494 818 2HG2 VAL 102 2HG2 VAL 102 2.392 -8.038 -17.743 819 3HG2 VAL 102 3HG2 VAL 102 3.470 -9.392 -18.085 820 H LYS 103 H LYS 103 -0.538 -9.754 -18.486 821 HA LYS 103 HA LYS 103 -0.473 -12.712 -18.943 822 1HB LYS 103 1HB LYS 103 -2.773 -10.797 -18.762 823 2HB LYS 103 2HB LYS 103 -2.894 -12.148 -19.890 824 1HG LYS 103 1HG LYS 103 -2.032 -12.597 -17.037 825 2HG LYS 103 2HG LYS 103 -3.741 -12.511 -17.462 826 1HD LYS 103 1HD LYS 103 -3.274 -14.271 -19.235 827 2HD LYS 103 2HD LYS 103 -1.681 -14.469 -18.501 828 1HE LYS 103 1HE LYS 103 -4.228 -14.679 -16.873 829 2HE LYS 103 2HE LYS 103 -3.482 -16.085 -17.659 830 1HZ LYS 103 1HZ LYS 103 -1.382 -15.509 -16.576 831 2HZ LYS 103 2HZ LYS 103 -2.140 -14.217 -15.774 832 3HZ LYS 103 3HZ LYS 103 -2.597 -15.817 -15.433 833 H GLY 104 H GLY 104 1.105 -12.456 -20.611 834 1HA GLY 104 1HA GLY 104 1.601 -12.293 -22.923 835 2HA GLY 104 2HA GLY 104 0.028 -11.535 -23.175 836 H ASN 105 H ASN 105 0.036 -9.370 -23.560 837 HA ASN 105 HA ASN 105 2.539 -7.852 -22.902 838 1HB ASN 105 1HB ASN 105 1.965 -6.512 -24.876 839 2HB ASN 105 2HB ASN 105 1.981 -8.222 -25.307 840 1HD2 ASN 105 2HD2 ASN 105 0.234 -5.542 -25.948 841 2HD2 ASN 105 1HD2 ASN 105 -1.321 -6.209 -26.090 842 H GLU 106 H GLU 106 -0.319 -8.320 -21.541 843 HA GLU 106 HA GLU 106 -0.825 -5.409 -21.005 844 1HB GLU 106 1HB GLU 106 -2.639 -7.836 -21.103 845 2HB GLU 106 2HB GLU 106 -3.162 -6.269 -20.486 846 1HG GLU 106 1HG GLU 106 -2.643 -5.217 -22.638 847 2HG GLU 106 2HG GLU 106 -2.046 -6.754 -23.263 848 H MET 107 H MET 107 -1.449 -4.910 -18.771 849 HA MET 107 HA MET 107 -0.595 -6.993 -16.786 850 1HB MET 107 1HB MET 107 1.125 -5.266 -17.161 851 2HB MET 107 2HB MET 107 -0.060 -4.004 -16.822 852 1HG MET 107 1HG MET 107 0.715 -4.164 -14.688 853 2HG MET 107 2HG MET 107 -0.324 -5.587 -14.606 854 1HE MET 107 1HE MET 107 2.800 -3.939 -14.780 855 2HE MET 107 2HE MET 107 3.130 -4.799 -13.278 856 3HE MET 107 3HE MET 107 4.119 -5.117 -14.701 857 H VAL 108 H VAL 108 -1.929 -7.167 -14.976 858 HA VAL 108 HA VAL 108 -4.188 -5.201 -14.754 859 HB VAL 108 HB VAL 108 -4.179 -8.219 -14.416 860 1HG1 VAL 108 1HG1 VAL 108 -6.296 -6.105 -13.995 861 2HG1 VAL 108 2HG1 VAL 108 -6.717 -7.786 -14.325 862 3HG1 VAL 108 3HG1 VAL 108 -5.786 -7.376 -12.884 863 1HG2 VAL 108 1HG2 VAL 108 -4.061 -7.279 -16.772 864 2HG2 VAL 108 2HG2 VAL 108 -5.482 -8.271 -16.441 865 3HG2 VAL 108 3HG2 VAL 108 -5.619 -6.512 -16.465 866 H GLU 109 H GLU 109 -4.186 -4.232 -12.767 867 HA GLU 109 HA GLU 109 -2.760 -5.604 -10.518 868 1HB GLU 109 1HB GLU 109 -3.296 -2.747 -11.319 869 2HB GLU 109 2HB GLU 109 -2.858 -3.138 -9.655 870 1HG GLU 109 1HG GLU 109 -0.766 -4.083 -10.330 871 2HG GLU 109 2HG GLU 109 -1.234 -4.071 -12.031 872 H THR 110 H THR 110 -4.148 -6.538 -9.069 873 HA THR 110 HA THR 110 -6.883 -5.360 -8.745 874 HB THR 110 HB THR 110 -5.786 -8.096 -8.017 875 HG1 THR 110 HG1 THR 110 -6.050 -8.537 -10.033 876 1HG2 THR 110 1HG2 THR 110 -8.633 -7.090 -8.285 877 2HG2 THR 110 2HG2 THR 110 -8.143 -8.722 -7.829 878 3HG2 THR 110 3HG2 THR 110 -7.800 -7.366 -6.755 879 H ILE 111 H ILE 111 -7.084 -4.127 -6.918 880 HA ILE 111 HA ILE 111 -5.551 -4.961 -4.476 881 HB ILE 111 HB ILE 111 -6.216 -2.152 -5.416 882 1HG1 ILE 111 1HG1 ILE 111 -3.587 -3.666 -5.545 883 2HG1 ILE 111 2HG1 ILE 111 -4.620 -3.318 -6.932 884 1HG2 ILE 111 1HG2 ILE 111 -5.867 -2.613 -2.929 885 2HG2 ILE 111 2HG2 ILE 111 -4.210 -3.059 -3.338 886 3HG2 ILE 111 3HG2 ILE 111 -4.783 -1.419 -3.643 887 1HD1 ILE 111 1HD1 ILE 111 -3.448 -1.196 -5.111 888 2HD1 ILE 111 2HD1 ILE 111 -2.745 -1.675 -6.656 889 3HD1 ILE 111 3HD1 ILE 111 -4.342 -0.927 -6.609 890 H THR 112 H THR 112 -6.833 -5.207 -2.675 891 HA THR 112 HA THR 112 -9.685 -4.313 -2.870 892 HB THR 112 HB THR 112 -8.339 -6.422 -1.149 893 HG1 THR 112 HG1 THR 112 -8.300 -7.172 -3.187 894 1HG2 THR 112 1HG2 THR 112 -10.825 -7.178 -1.033 895 2HG2 THR 112 2HG2 THR 112 -10.311 -5.828 -0.022 896 3HG2 THR 112 3HG2 THR 112 -11.186 -5.521 -1.522 897 H PHE 113 H PHE 113 -10.503 -2.950 -1.278 898 HA PHE 113 HA PHE 113 -9.068 -2.513 1.249 899 1HB PHE 113 1HB PHE 113 -7.849 -1.215 -0.553 900 2HB PHE 113 2HB PHE 113 -9.321 -0.269 -0.776 901 HD1 PHE 113 HD1 PHE 113 -10.354 0.772 1.407 902 HD2 PHE 113 HD2 PHE 113 -6.275 -0.522 1.033 903 HE1 PHE 113 HE1 PHE 113 -9.721 2.214 3.324 904 HE2 PHE 113 HE2 PHE 113 -5.642 0.920 2.950 905 HZ PHE 113 HZ PHE 113 -7.364 2.288 4.094 906 H GLY 114 H GLY 114 -10.648 -2.113 2.748 907 1HA GLY 114 1HA GLY 114 -12.674 -1.385 3.683 908 2HA GLY 114 2HA GLY 114 -12.779 -0.230 2.352 909 H GLY 115 H GLY 115 -12.609 -3.764 2.078 910 1HA GLY 115 1HA GLY 115 -14.169 -5.299 1.223 911 2HA GLY 115 2HA GLY 115 -15.433 -4.146 1.655 912 H VAL 116 H VAL 116 -13.015 -2.756 -0.285 913 HA VAL 116 HA VAL 116 -14.788 -3.016 -2.692 914 HB VAL 116 HB VAL 116 -12.884 -0.823 -1.804 915 1HG1 VAL 116 1HG1 VAL 116 -14.521 -1.283 -4.271 916 2HG1 VAL 116 2HG1 VAL 116 -14.354 0.366 -3.667 917 3HG1 VAL 116 3HG1 VAL 116 -12.920 -0.560 -4.109 918 1HG2 VAL 116 1HG2 VAL 116 -15.894 -1.131 -1.724 919 2HG2 VAL 116 2HG2 VAL 116 -14.805 -0.797 -0.377 920 3HG2 VAL 116 3HG2 VAL 116 -15.100 0.439 -1.600 921 H THR 117 H THR 117 -13.836 -3.728 -4.597 922 HA THR 117 HA THR 117 -10.897 -4.329 -4.496 923 HB THR 117 HB THR 117 -13.141 -5.651 -6.058 924 HG1 THR 117 HG1 THR 117 -13.511 -6.416 -4.129 925 1HG2 THR 117 1HG2 THR 117 -10.329 -6.632 -5.531 926 2HG2 THR 117 2HG2 THR 117 -11.525 -7.336 -6.619 927 3HG2 THR 117 3HG2 THR 117 -10.795 -5.778 -7.003 928 H LEU 118 H LEU 118 -9.648 -3.336 -6.042 929 HA LEU 118 HA LEU 118 -11.060 -1.891 -8.256 930 1HB LEU 118 1HB LEU 118 -9.869 -0.478 -6.659 931 2HB LEU 118 2HB LEU 118 -8.407 -1.446 -6.851 932 HG LEU 118 HG LEU 118 -8.318 -0.817 -9.247 933 1HD1 LEU 118 1HD1 LEU 118 -10.675 0.951 -8.520 934 2HD1 LEU 118 2HD1 LEU 118 -9.822 0.966 -10.064 935 3HD1 LEU 118 3HD1 LEU 118 -10.737 -0.461 -9.575 936 1HD2 LEU 118 1HD2 LEU 118 -7.270 0.567 -7.343 937 2HD2 LEU 118 2HD2 LEU 118 -7.475 1.381 -8.894 938 3HD2 LEU 118 3HD2 LEU 118 -8.610 1.690 -7.581 939 H ILE 119 H ILE 119 -10.152 -2.047 -10.384 940 HA ILE 119 HA ILE 119 -8.099 -4.205 -10.749 941 HB ILE 119 HB ILE 119 -10.645 -3.652 -12.310 942 1HG1 ILE 119 1HG1 ILE 119 -9.847 -6.070 -10.660 943 2HG1 ILE 119 2HG1 ILE 119 -10.874 -4.770 -10.056 944 1HG2 ILE 119 1HG2 ILE 119 -8.731 -4.439 -13.715 945 2HG2 ILE 119 2HG2 ILE 119 -8.593 -5.857 -12.675 946 3HG2 ILE 119 3HG2 ILE 119 -10.049 -5.607 -13.639 947 1HD1 ILE 119 1HD1 ILE 119 -11.632 -5.975 -12.672 948 2HD1 ILE 119 2HD1 ILE 119 -11.890 -6.962 -11.232 949 3HD1 ILE 119 3HD1 ILE 119 -12.659 -5.381 -11.368 950 H ARG 120 H ARG 120 -6.416 -2.665 -11.148 951 HA ARG 120 HA ARG 120 -6.806 -0.571 -13.190 952 1HB ARG 120 1HB ARG 120 -4.682 -1.457 -11.259 953 2HB ARG 120 2HB ARG 120 -4.241 -0.375 -12.581 954 1HG ARG 120 1HG ARG 120 -6.022 1.196 -11.877 955 2HG ARG 120 2HG ARG 120 -6.422 0.125 -10.533 956 1HD ARG 120 1HD ARG 120 -4.931 1.934 -9.757 957 2HD ARG 120 2HD ARG 120 -4.073 0.382 -9.687 958 HE ARG 120 HE ARG 120 -3.759 1.651 -12.275 959 1HH1 ARG 120 1HH1 ARG 120 -2.944 3.848 -10.449 960 2HH1 ARG 120 2HH1 ARG 120 -1.270 3.505 -10.169 961 1HH2 ARG 120 1HH2 ARG 120 -1.478 0.232 -11.295 962 2HH2 ARG 120 2HH2 ARG 120 -0.440 1.457 -10.648 963 H ARG 121 H ARG 121 -6.451 -0.976 -15.334 964 HA ARG 121 HA ARG 121 -4.881 -3.406 -16.089 965 1HB ARG 121 1HB ARG 121 -7.142 -1.809 -17.210 966 2HB ARG 121 2HB ARG 121 -6.078 -2.620 -18.359 967 1HG ARG 121 1HG ARG 121 -6.432 -4.761 -17.163 968 2HG ARG 121 2HG ARG 121 -7.528 -3.944 -16.048 969 1HD ARG 121 1HD ARG 121 -8.997 -3.328 -17.962 970 2HD ARG 121 2HD ARG 121 -7.919 -4.228 -19.049 971 HE ARG 121 HE ARG 121 -8.418 -6.102 -17.146 972 1HH1 ARG 121 1HH1 ARG 121 -10.888 -4.722 -16.286 973 2HH1 ARG 121 2HH1 ARG 121 -12.089 -5.390 -17.338 974 1HH2 ARG 121 1HH2 ARG 121 -9.787 -6.625 -19.618 975 2HH2 ARG 121 2HH2 ARG 121 -11.467 -6.468 -19.225 976 H SER 122 H SER 122 -2.845 -3.071 -16.886 977 HA SER 122 HA SER 122 -2.223 -0.396 -18.100 978 1HB SER 122 1HB SER 122 -0.581 -2.229 -16.328 979 2HB SER 122 2HB SER 122 0.068 -0.795 -17.122 980 HG SER 122 HG SER 122 -1.066 -0.851 -14.820 981 H LYS 123 H LYS 123 -0.720 -0.456 -19.884 982 HA LYS 123 HA LYS 123 -0.440 -3.165 -21.143 983 1HB LYS 123 1HB LYS 123 -1.844 -1.055 -22.049 984 2HB LYS 123 2HB LYS 123 -0.264 -0.631 -22.710 985 1HG LYS 123 1HG LYS 123 -0.106 -2.773 -23.849 986 2HG LYS 123 2HG LYS 123 -1.600 -3.325 -23.091 987 1HD LYS 123 1HD LYS 123 -2.803 -1.430 -24.211 988 2HD LYS 123 2HD LYS 123 -1.309 -1.042 -25.065 989 1HE LYS 123 1HE LYS 123 -1.352 -3.057 -26.306 990 2HE LYS 123 2HE LYS 123 -2.495 -3.823 -25.183 991 1HZ LYS 123 1HZ LYS 123 -3.121 -1.375 -26.740 992 2HZ LYS 123 2HZ LYS 123 -3.530 -2.939 -27.264 993 3HZ LYS 123 3HZ LYS 123 -4.199 -2.323 -25.831 994 H ARG 124 H ARG 124 1.568 -3.541 -22.322 995 HA ARG 124 HA ARG 124 3.903 -2.311 -21.036 996 1HB ARG 124 1HB ARG 124 3.617 -4.749 -21.588 997 2HB ARG 124 2HB ARG 124 3.689 -4.323 -23.298 998 1HG ARG 124 1HG ARG 124 5.931 -3.330 -22.948 999 2HG ARG 124 2HG ARG 124 5.863 -3.801 -21.249 1000 1HD ARG 124 1HD ARG 124 5.565 -6.198 -22.006 1001 2HD ARG 124 2HD ARG 124 5.901 -5.646 -23.659 1002 HE ARG 124 HE ARG 124 8.025 -4.587 -22.471 1003 1HH1 ARG 124 1HH1 ARG 124 7.152 -6.398 -20.074 1004 2HH1 ARG 124 2HH1 ARG 124 8.284 -7.696 -20.260 1005 1HH2 ARG 124 1HH2 ARG 124 9.208 -6.778 -23.474 1006 2HH2 ARG 124 2HH2 ARG 124 9.448 -7.910 -22.185 1007 H VAL 125 HN VAL 125 5.221 -0.760 -21.963 1008 HA VAL 125 HA VAL 125 4.430 0.270 -24.655 1009 HB VAL 125 HB VAL 125 6.059 1.467 -22.390 1010 1HG1 VAL 125 1HG1 VAL 125 5.164 2.482 -25.081 1011 2HG1 VAL 125 2HG1 VAL 125 5.420 3.603 -23.743 1012 3HG1 VAL 125 3HG1 VAL 125 6.753 2.606 -24.326 1013 1HG2 VAL 125 1HG2 VAL 125 3.577 1.025 -21.986 1014 2HG2 VAL 125 2HG2 VAL 125 4.086 2.706 -21.823 1015 3HG2 VAL 125 3HG2 VAL 125 3.254 2.174 -23.284 1016 1H1 JN3 130 1H1 JN3 130 -3.992 1.741 -7.572 1017 2H1 JN3 130 2H1 JN3 130 -3.492 3.089 -8.648 1018 1H2 JN3 130 1H2 JN3 130 -1.269 3.016 -7.727 1019 2H2 JN3 130 2H2 JN3 130 -1.760 1.418 -8.412 1020 H3 JN3 130 H3 JN3 130 -2.370 0.596 -6.062 1021 HO3 JN3 130 HO3 JN3 130 -0.151 0.874 -5.008 1022 1H4 JN3 130 1H4 JN3 130 -1.398 3.338 -5.134 1023 2H4 JN3 130 2H4 JN3 130 -1.923 2.014 -4.076 1024 H5 JN3 130 H5 JN3 130 -4.274 2.117 -5.180 1025 1H6 JN3 130 1H6 JN3 130 -3.895 3.486 -3.105 1026 2H6 JN3 130 2H6 JN3 130 -5.050 4.219 -4.204 1027 H7 JN3 130 H7 JN3 130 -3.444 5.890 -3.286 1028 HO7 JN3 130 HO7 JN3 130 -1.583 4.566 -3.043 1029 H8 JN3 130 H8 JN3 130 -4.433 6.267 -5.512 1030 H9 JN3 130 H9 JN3 130 -1.816 4.819 -6.560 1031 1H11 JN3 130 1H11 JN3 130 -4.138 6.094 -8.150 1032 2H11 JN3 130 2H11 JN3 130 -2.818 5.177 -8.878 1033 1H12 JN3 130 1H12 JN3 130 -2.313 7.595 -9.056 1034 2H12 JN3 130 2H12 JN3 130 -1.168 6.875 -7.922 1035 H14 JN3 130 H14 JN3 130 -1.435 7.162 -5.428 1036 1H15 JN3 130 1H15 JN3 130 -2.375 8.280 -3.554 1037 2H15 JN3 130 2H15 JN3 130 -3.911 8.563 -4.367 1038 1H16 JN3 130 1H16 JN3 130 -1.392 10.074 -4.601 1039 2H16 JN3 130 2H16 JN3 130 -3.027 10.506 -5.221 1040 H17 JN3 130 H17 JN3 130 -0.739 9.078 -6.701 1041 1H18 JN3 130 1H18 JN3 130 -4.575 9.246 -6.387 1042 2H18 JN3 130 2H18 JN3 130 -4.437 8.994 -8.143 1043 3H18 JN3 130 3H18 JN3 130 -4.901 7.641 -7.084 1044 1H19 JN3 130 1H19 JN3 130 -5.626 4.623 -6.102 1045 2H19 JN3 130 2H19 JN3 130 -5.432 4.317 -7.845 1046 3H19 JN3 130 3H19 JN3 130 -5.852 2.980 -6.748 1047 H20 JN3 130 H20 JN3 130 -2.717 11.186 -7.506 1048 1H21 JN3 130 1H21 JN3 130 -1.911 11.243 -9.736 1049 2H21 JN3 130 2H21 JN3 130 -1.025 9.722 -9.474 1050 3H21 JN3 130 3H21 JN3 130 -2.803 9.741 -9.396 1051 1H22 JN3 130 1H22 JN3 130 -0.489 12.199 -8.323 1052 2H22 JN3 130 2H22 JN3 130 0.294 10.883 -7.383 1053 1H23 JN3 130 1H23 JN3 130 0.050 12.041 -5.446 1054 2H23 JN3 130 2H23 JN3 130 -1.629 12.398 -5.764 1055 1H1 JN3 131 1H1 JN3 131 4.837 -4.854 -4.580 1056 2H1 JN3 131 2H1 JN3 131 3.207 -4.864 -3.826 1057 1H2 JN3 131 1H2 JN3 131 2.300 -3.720 -5.738 1058 2H2 JN3 131 2H2 JN3 131 3.114 -5.261 -6.210 1059 H3 JN3 131 H3 JN3 131 5.213 -3.953 -6.877 1060 HO3 JN3 131 HO3 JN3 131 4.037 -2.382 -8.515 1061 1H4 JN3 131 1H4 JN3 131 3.602 -1.478 -6.099 1062 2H4 JN3 131 2H4 JN3 131 5.224 -1.472 -6.816 1063 H5 JN3 131 H5 JN3 131 6.101 -2.775 -4.744 1064 1H6 JN3 131 1H6 JN3 131 6.230 -0.264 -4.689 1065 2H6 JN3 131 2H6 JN3 131 5.994 -0.972 -3.098 1066 H7 JN3 131 H7 JN3 131 4.540 1.024 -3.459 1067 HO7 JN3 131 HO7 JN3 131 3.902 1.150 -5.526 1068 H8 JN3 131 H8 JN3 131 3.787 -0.755 -1.930 1069 H9 JN3 131 H9 JN3 131 2.308 -1.881 -4.496 1070 1H11 JN3 131 1H11 JN3 131 2.274 -2.915 -1.584 1071 2H11 JN3 131 2H11 JN3 131 1.521 -3.748 -2.946 1072 1H12 JN3 131 1H12 JN3 131 -0.206 -2.440 -1.749 1073 2H12 JN3 131 2H12 JN3 131 0.049 -1.699 -3.331 1074 H14 JN3 131 H14 JN3 131 1.404 0.414 -3.588 1075 1H15 JN3 131 1H15 JN3 131 2.415 2.358 -2.670 1076 2H15 JN3 131 2H15 JN3 131 2.823 1.554 -1.158 1077 1H16 JN3 131 1H16 JN3 131 0.248 2.715 -1.996 1078 2H16 JN3 131 2H16 JN3 131 0.743 2.129 -0.366 1079 H17 JN3 131 H17 JN3 131 -0.765 0.600 -2.569 1080 1H18 JN3 131 1H18 JN3 131 1.802 0.177 0.273 1081 2H18 JN3 131 2H18 JN3 131 0.905 -1.349 0.458 1082 3H18 JN3 131 3H18 JN3 131 2.505 -1.346 -0.322 1083 1H19 JN3 131 1H19 JN3 131 5.131 -2.389 -1.940 1084 2H19 JN3 131 2H19 JN3 131 4.234 -3.922 -1.832 1085 3H19 JN3 131 3H19 JN3 131 5.817 -3.872 -2.643 1086 H20 JN3 131 H20 JN3 131 -0.974 0.185 0.416 1087 1H21 JN3 131 1H21 JN3 131 -3.172 -0.626 0.044 1088 2H21 JN3 131 2H21 JN3 131 -2.942 -0.493 -1.716 1089 3H21 JN3 131 3H21 JN3 131 -1.952 -1.631 -0.772 1090 1H22 JN3 131 1H22 JN3 131 -3.242 1.566 -0.294 1091 2H22 JN3 131 2H22 JN3 131 -1.989 2.352 -1.314 1092 1H23 JN3 131 1H23 JN3 131 -0.976 3.355 0.512 1093 2H23 JN3 131 2H23 JN3 131 -1.387 2.063 1.611 Start of MODEL 12 1 1H ALA 1 1H ALA 1 5.917 -12.374 -18.221 2 2H ALA 1 2H ALA 1 5.672 -10.707 -18.431 3 3H ALA 1 3H ALA 1 4.754 -11.566 -17.289 4 HA ALA 1 HA ALA 1 6.738 -11.989 -15.963 5 1HB ALA 1 1HB ALA 1 7.853 -11.016 -18.508 6 2HB ALA 1 2HB ALA 1 8.643 -10.337 -17.086 7 3HB ALA 1 3HB ALA 1 8.575 -12.086 -17.307 8 H PHE 2 H PHE 2 7.300 -10.427 -14.335 9 HA PHE 2 HA PHE 2 5.583 -8.070 -14.256 10 1HB PHE 2 1HB PHE 2 7.271 -9.688 -12.508 11 2HB PHE 2 2HB PHE 2 7.437 -7.965 -12.166 12 HD1 PHE 2 HD1 PHE 2 4.689 -10.373 -13.056 13 HD2 PHE 2 HD2 PHE 2 5.964 -7.087 -10.599 14 HE1 PHE 2 HE1 PHE 2 2.496 -10.389 -11.896 15 HE2 PHE 2 HE2 PHE 2 3.772 -7.103 -9.439 16 HZ PHE 2 HZ PHE 2 2.039 -8.754 -10.088 17 H SER 3 H SER 3 9.040 -8.693 -14.762 18 HA SER 3 HA SER 3 10.029 -6.040 -14.541 19 1HB SER 3 1HB SER 3 10.833 -8.642 -15.539 20 2HB SER 3 2HB SER 3 11.435 -7.367 -16.595 21 HG SER 3 HG SER 3 12.850 -6.976 -15.105 22 H GLY 4 H GLY 4 10.179 -4.345 -16.052 23 1HA GLY 4 1HA GLY 4 10.077 -3.807 -18.552 24 2HA GLY 4 2HA GLY 4 8.553 -4.695 -18.539 25 H THR 5 H THR 5 8.266 -2.214 -19.434 26 HA THR 5 HA THR 5 7.510 -0.475 -17.126 27 HB THR 5 HB THR 5 7.416 1.257 -18.951 28 HG1 THR 5 HG1 THR 5 6.949 -0.239 -20.632 29 1HG2 THR 5 1HG2 THR 5 10.041 -0.170 -19.203 30 2HG2 THR 5 2HG2 THR 5 9.722 1.551 -18.980 31 3HG2 THR 5 3HG2 THR 5 9.541 0.439 -17.624 32 H TRP 6 H TRP 6 5.354 -0.092 -16.703 33 HA TRP 6 HA TRP 6 3.352 -1.073 -18.715 34 1HB TRP 6 1HB TRP 6 3.245 -1.068 -15.680 35 2HB TRP 6 2HB TRP 6 2.001 -1.714 -16.751 36 HD1 TRP 6 HD1 TRP 6 5.236 -2.587 -15.104 37 HE1 TRP 6 HE1 TRP 6 5.976 -4.953 -15.814 38 HE3 TRP 6 HE3 TRP 6 1.942 -3.435 -18.914 39 HZ2 TRP 6 HZ2 TRP 6 5.264 -6.942 -17.743 40 HZ3 TRP 6 HZ3 TRP 6 1.995 -5.571 -20.169 41 HH2 TRP 6 HH2 TRP 6 3.650 -7.324 -19.589 42 H GLN 7 H GLN 7 1.598 0.308 -19.117 43 HA GLN 7 HA GLN 7 1.613 2.937 -17.665 44 1HB GLN 7 1HB GLN 7 2.487 2.935 -20.020 45 2HB GLN 7 2HB GLN 7 0.911 2.355 -20.560 46 1HG GLN 7 1HG GLN 7 -0.092 4.391 -19.393 47 2HG GLN 7 2HG GLN 7 1.558 4.997 -19.234 48 1HE2 GLN 7 2HE2 GLN 7 2.602 4.083 -21.753 49 2HE2 GLN 7 1HE2 GLN 7 1.819 4.939 -22.992 50 H VAL 8 H VAL 8 -0.249 3.120 -16.482 51 HA VAL 8 HA VAL 8 -2.536 1.416 -16.773 52 HB VAL 8 HB VAL 8 -2.234 4.155 -15.497 53 1HG1 VAL 8 1HG1 VAL 8 -4.233 1.909 -15.126 54 2HG1 VAL 8 2HG1 VAL 8 -4.042 3.233 -13.977 55 3HG1 VAL 8 3HG1 VAL 8 -4.566 3.567 -15.628 56 1HG2 VAL 8 1HG2 VAL 8 -1.705 1.349 -14.475 57 2HG2 VAL 8 2HG2 VAL 8 -0.537 2.660 -14.636 58 3HG2 VAL 8 3HG2 VAL 8 -1.817 2.763 -13.426 59 H TYR 9 H TYR 9 -4.199 1.560 -18.230 60 HA TYR 9 HA TYR 9 -4.677 4.201 -19.574 61 1HB TYR 9 1HB TYR 9 -4.999 2.957 -21.644 62 2HB TYR 9 2HB TYR 9 -3.449 2.488 -20.946 63 HD1 TYR 9 HD1 TYR 9 -3.198 0.317 -19.773 64 HD2 TYR 9 HD2 TYR 9 -6.845 1.405 -21.764 65 HE1 TYR 9 HE1 TYR 9 -3.943 -2.047 -19.699 66 HE2 TYR 9 HE2 TYR 9 -7.590 -0.959 -21.691 67 HH TYR 9 HH TYR 9 -5.779 -3.446 -21.352 68 H ALA 10 H ALA 10 -6.008 1.225 -18.248 69 HA ALA 10 HA ALA 10 -8.738 2.452 -18.407 70 1HB ALA 10 1HB ALA 10 -7.850 -0.396 -18.961 71 2HB ALA 10 2HB ALA 10 -9.537 0.100 -18.838 72 3HB ALA 10 3HB ALA 10 -8.521 0.746 -20.126 73 H GLN 11 H GLN 11 -9.802 2.420 -16.448 74 HA GLN 11 HA GLN 11 -8.985 0.445 -14.375 75 1HB GLN 11 1HB GLN 11 -8.661 2.297 -12.761 76 2HB GLN 11 2HB GLN 11 -7.557 2.449 -14.128 77 1HG GLN 11 1HG GLN 11 -9.380 3.942 -15.188 78 2HG GLN 11 2HG GLN 11 -10.071 4.021 -13.567 79 1HE2 GLN 11 2HE2 GLN 11 -6.923 4.526 -15.257 80 2HE2 GLN 11 1HE2 GLN 11 -6.409 5.780 -14.235 81 H GLU 12 H GLU 12 -10.904 -0.437 -13.714 82 HA GLU 12 HA GLU 12 -13.399 1.173 -13.910 83 1HB GLU 12 1HB GLU 12 -13.109 -1.156 -14.867 84 2HB GLU 12 2HB GLU 12 -12.983 -1.748 -13.210 85 1HG GLU 12 1HG GLU 12 -15.253 -1.994 -13.475 86 2HG GLU 12 2HG GLU 12 -15.237 -0.306 -12.959 87 H ASN 13 H ASN 13 -14.743 1.505 -12.067 88 HA ASN 13 HA ASN 13 -15.150 1.948 -9.779 89 1HB ASN 13 1HB ASN 13 -13.543 -0.615 -9.521 90 2HB ASN 13 2HB ASN 13 -14.724 0.002 -8.366 91 1HD2 ASN 13 2HD2 ASN 13 -16.977 0.532 -9.606 92 2HD2 ASN 13 1HD2 ASN 13 -17.519 -0.720 -10.616 93 H TYR 14 H TYR 14 -12.463 2.758 -11.101 94 HA TYR 14 HA TYR 14 -10.351 2.621 -9.198 95 1HB TYR 14 1HB TYR 14 -10.053 3.306 -11.514 96 2HB TYR 14 2HB TYR 14 -11.118 4.694 -11.277 97 HD1 TYR 14 HD1 TYR 14 -7.905 3.177 -10.124 98 HD2 TYR 14 HD2 TYR 14 -10.273 6.745 -10.463 99 HE1 TYR 14 HE1 TYR 14 -5.973 4.531 -9.363 100 HE2 TYR 14 HE2 TYR 14 -8.340 8.100 -9.702 101 HH TYR 14 HH TYR 14 -5.263 6.554 -8.781 102 H GLU 15 H GLU 15 -12.936 5.052 -9.622 103 HA GLU 15 HA GLU 15 -12.039 6.786 -7.493 104 1HB GLU 15 1HB GLU 15 -14.239 7.814 -7.845 105 2HB GLU 15 2HB GLU 15 -13.530 7.391 -9.404 106 1HG GLU 15 1HG GLU 15 -14.838 5.284 -9.412 107 2HG GLU 15 2HG GLU 15 -15.578 5.753 -7.882 108 H GLU 16 H GLU 16 -14.554 4.244 -7.659 109 HA GLU 16 HA GLU 16 -15.546 4.467 -5.013 110 1HB GLU 16 1HB GLU 16 -15.250 2.231 -7.020 111 2HB GLU 16 2HB GLU 16 -16.015 1.948 -5.455 112 1HG GLU 16 1HG GLU 16 -17.547 3.899 -5.953 113 2HG GLU 16 2HG GLU 16 -16.883 3.914 -7.588 114 H PHE 17 H PHE 17 -13.154 2.056 -6.182 115 HA PHE 17 HA PHE 17 -12.373 1.003 -3.703 116 1HB PHE 17 1HB PHE 17 -11.637 0.022 -5.755 117 2HB PHE 17 2HB PHE 17 -10.902 1.532 -6.294 118 HD1 PHE 17 HD1 PHE 17 -10.668 -1.122 -3.678 119 HD2 PHE 17 HD2 PHE 17 -8.656 2.047 -5.767 120 HE1 PHE 17 HE1 PHE 17 -8.527 -1.782 -2.617 121 HE2 PHE 17 HE2 PHE 17 -6.515 1.386 -4.704 122 HZ PHE 17 HZ PHE 17 -6.450 -0.528 -3.130 123 H LEU 18 H LEU 18 -10.777 3.700 -5.456 124 HA LEU 18 HA LEU 18 -8.902 4.373 -3.428 125 1HB LEU 18 1HB LEU 18 -10.236 5.748 -5.740 126 2HB LEU 18 2HB LEU 18 -9.218 6.698 -4.658 127 HG LEU 18 HG LEU 18 -8.189 4.087 -5.722 128 1HD1 LEU 18 1HD1 LEU 18 -8.820 6.492 -7.292 129 2HD1 LEU 18 2HD1 LEU 18 -7.138 5.980 -7.432 130 3HD1 LEU 18 3HD1 LEU 18 -8.437 4.860 -7.841 131 1HD2 LEU 18 1HD2 LEU 18 -7.219 6.248 -4.141 132 2HD2 LEU 18 2HD2 LEU 18 -6.334 4.819 -4.676 133 3HD2 LEU 18 3HD2 LEU 18 -6.334 6.279 -5.666 134 H LYS 19 H LYS 19 -12.163 5.717 -4.059 135 HA LYS 19 HA LYS 19 -12.319 7.681 -2.087 136 1HB LYS 19 1HB LYS 19 -14.180 5.783 -3.430 137 2HB LYS 19 2HB LYS 19 -14.803 6.615 -2.004 138 1HG LYS 19 1HG LYS 19 -14.132 8.787 -2.999 139 2HG LYS 19 2HG LYS 19 -13.575 7.938 -4.441 140 1HD LYS 19 1HD LYS 19 -15.818 7.130 -4.899 141 2HD LYS 19 2HD LYS 19 -16.411 7.799 -3.378 142 1HE LYS 19 1HE LYS 19 -15.705 10.091 -4.218 143 2HE LYS 19 2HE LYS 19 -15.420 9.336 -5.799 144 1HZ LYS 19 1HZ LYS 19 -17.950 8.995 -4.291 145 2HZ LYS 19 2HZ LYS 19 -17.731 10.236 -5.431 146 3HZ LYS 19 3HZ LYS 19 -17.646 8.613 -5.917 147 H ALA 20 H ALA 20 -12.702 4.163 -1.687 148 HA ALA 20 HA ALA 20 -13.481 4.238 1.088 149 1HB ALA 20 1HB ALA 20 -12.935 2.357 -1.013 150 2HB ALA 20 2HB ALA 20 -12.078 1.840 0.440 151 3HB ALA 20 3HB ALA 20 -13.824 2.089 0.487 152 H LEU 21 H LEU 21 -10.391 4.437 -0.554 153 HA LEU 21 HA LEU 21 -8.639 3.619 1.535 154 1HB LEU 21 1HB LEU 21 -8.491 4.601 -1.049 155 2HB LEU 21 2HB LEU 21 -7.762 5.898 -0.101 156 HG LEU 21 HG LEU 21 -6.379 4.074 1.050 157 1HD1 LEU 21 1HD1 LEU 21 -7.682 2.536 -1.187 158 2HD1 LEU 21 2HD1 LEU 21 -6.083 2.076 -0.603 159 3HD1 LEU 21 3HD1 LEU 21 -7.461 2.063 0.497 160 1HD2 LEU 21 1HD2 LEU 21 -6.046 4.651 -1.910 161 2HD2 LEU 21 2HD2 LEU 21 -5.365 5.574 -0.570 162 3HD2 LEU 21 3HD2 LEU 21 -4.790 3.939 -0.897 163 H ALA 22 H ALA 22 -10.639 6.434 1.235 164 HA ALA 22 HA ALA 22 -11.070 8.041 2.961 165 1HB ALA 22 1HB ALA 22 -9.807 6.094 4.283 166 2HB ALA 22 2HB ALA 22 -8.507 7.286 4.311 167 3HB ALA 22 3HB ALA 22 -10.073 7.673 5.024 168 H LEU 23 H LEU 23 -9.255 8.251 0.517 169 HA LEU 23 HA LEU 23 -7.086 10.053 1.199 170 1HB LEU 23 1HB LEU 23 -8.546 9.162 -1.281 171 2HB LEU 23 2HB LEU 23 -7.357 10.462 -1.377 172 HG LEU 23 HG LEU 23 -6.822 7.717 -0.204 173 1HD1 LEU 23 1HD1 LEU 23 -7.201 7.748 -2.690 174 2HD1 LEU 23 2HD1 LEU 23 -5.875 8.903 -2.830 175 3HD1 LEU 23 3HD1 LEU 23 -5.565 7.272 -2.232 176 1HD2 LEU 23 1HD2 LEU 23 -5.200 10.224 -0.589 177 2HD2 LEU 23 2HD2 LEU 23 -5.302 9.178 0.827 178 3HD2 LEU 23 3HD2 LEU 23 -4.403 8.650 -0.597 179 HA PRO 24 HA PRO 24 -9.231 13.876 1.392 180 1HB PRO 24 1HB PRO 24 -7.474 15.574 0.160 181 2HB PRO 24 2HB PRO 24 -7.186 14.891 1.772 182 1HG PRO 24 1HG PRO 24 -6.063 14.072 -0.857 183 2HG PRO 24 2HG PRO 24 -5.289 14.129 0.733 184 1HD PRO 24 1HD PRO 24 -6.195 11.828 -0.435 185 2HD PRO 24 2HD PRO 24 -6.052 12.057 1.322 186 H GLU 25 H GLU 25 -10.764 14.977 0.155 187 HA GLU 25 HA GLU 25 -11.503 14.094 -2.427 188 1HB GLU 25 1HB GLU 25 -12.887 16.183 -2.392 189 2HB GLU 25 2HB GLU 25 -12.972 15.286 -0.875 190 1HG GLU 25 1HG GLU 25 -10.945 16.815 -0.188 191 2HG GLU 25 2HG GLU 25 -11.550 17.862 -1.472 192 H ASP 26 H ASP 26 -9.590 16.969 -1.488 193 HA ASP 26 HA ASP 26 -9.227 18.174 -3.995 194 1HB ASP 26 1HB ASP 26 -7.401 17.802 -1.606 195 2HB ASP 26 2HB ASP 26 -7.007 18.880 -2.945 196 H LEU 27 H LEU 27 -7.557 15.351 -2.625 197 HA LEU 27 HA LEU 27 -5.716 15.127 -4.903 198 1HB LEU 27 1HB LEU 27 -5.056 14.493 -2.634 199 2HB LEU 27 2HB LEU 27 -6.392 13.345 -2.541 200 HG LEU 27 HG LEU 27 -5.360 12.237 -4.622 201 1HD1 LEU 27 1HD1 LEU 27 -3.247 14.219 -3.835 202 2HD1 LEU 27 2HD1 LEU 27 -2.760 12.663 -4.505 203 3HD1 LEU 27 3HD1 LEU 27 -3.787 13.746 -5.447 204 1HD2 LEU 27 1HD2 LEU 27 -4.347 12.204 -1.815 205 2HD2 LEU 27 2HD2 LEU 27 -5.085 10.909 -2.758 206 3HD2 LEU 27 3HD2 LEU 27 -3.395 11.340 -3.023 207 H ILE 28 H ILE 28 -8.863 13.904 -4.004 208 HA ILE 28 HA ILE 28 -8.859 11.605 -5.789 209 HB ILE 28 HB ILE 28 -10.901 13.201 -4.239 210 1HG1 ILE 28 1HG1 ILE 28 -10.050 10.294 -4.070 211 2HG1 ILE 28 2HG1 ILE 28 -9.329 11.582 -3.106 212 1HG2 ILE 28 1HG2 ILE 28 -11.330 11.279 -6.452 213 2HG2 ILE 28 2HG2 ILE 28 -12.267 10.967 -4.991 214 3HG2 ILE 28 3HG2 ILE 28 -12.409 12.520 -5.813 215 1HD1 ILE 28 1HD1 ILE 28 -12.313 11.179 -3.133 216 2HD1 ILE 28 2HD1 ILE 28 -11.287 10.220 -2.068 217 3HD1 ILE 28 3HD1 ILE 28 -11.318 11.976 -1.914 218 H LYS 29 H LYS 29 -10.089 14.949 -5.990 219 HA LYS 29 HA LYS 29 -11.247 14.589 -8.640 220 1HB LYS 29 1HB LYS 29 -10.477 17.075 -7.075 221 2HB LYS 29 2HB LYS 29 -11.590 17.018 -8.442 222 1HG LYS 29 1HG LYS 29 -12.856 15.234 -7.004 223 2HG LYS 29 2HG LYS 29 -11.964 15.945 -5.659 224 1HD LYS 29 1HD LYS 29 -13.543 17.632 -7.606 225 2HD LYS 29 2HD LYS 29 -14.268 16.955 -6.147 226 1HE LYS 29 1HE LYS 29 -13.215 18.460 -4.796 227 2HE LYS 29 2HE LYS 29 -11.685 18.315 -5.686 228 1HZ LYS 29 1HZ LYS 29 -12.710 19.574 -7.512 229 2HZ LYS 29 2HZ LYS 29 -14.106 19.799 -6.568 230 3HZ LYS 29 3HZ LYS 29 -12.628 20.484 -6.083 231 H MET 30 H MET 30 -8.092 15.406 -7.387 232 HA MET 30 HA MET 30 -7.154 16.567 -9.935 233 1HB MET 30 1HB MET 30 -5.927 15.922 -7.242 234 2HB MET 30 2HB MET 30 -4.984 16.588 -8.576 235 1HG MET 30 1HG MET 30 -6.589 18.500 -8.700 236 2HG MET 30 2HG MET 30 -7.412 17.857 -7.277 237 1HE MET 30 1HE MET 30 -7.262 19.647 -5.767 238 2HE MET 30 2HE MET 30 -5.850 20.609 -5.336 239 3HE MET 30 3HE MET 30 -6.545 20.754 -6.948 240 H ALA 31 H ALA 31 -7.078 13.493 -8.231 241 HA ALA 31 HA ALA 31 -5.187 12.377 -10.259 242 1HB ALA 31 1HB ALA 31 -6.124 11.601 -7.495 243 2HB ALA 31 2HB ALA 31 -5.282 10.443 -8.526 244 3HB ALA 31 3HB ALA 31 -4.481 11.937 -8.041 245 H ARG 32 H ARG 32 -8.429 12.793 -9.970 246 HA ARG 32 HA ARG 32 -9.475 10.142 -10.456 247 1HB ARG 32 1HB ARG 32 -11.514 11.302 -10.700 248 2HB ARG 32 2HB ARG 32 -10.579 12.369 -9.651 249 1HG ARG 32 1HG ARG 32 -9.895 13.709 -11.597 250 2HG ARG 32 2HG ARG 32 -10.799 12.634 -12.664 251 1HD ARG 32 1HD ARG 32 -12.900 13.235 -11.502 252 2HD ARG 32 2HD ARG 32 -11.993 14.326 -10.436 253 HE ARG 32 HE ARG 32 -11.601 14.755 -13.329 254 1HH1 ARG 32 1HH1 ARG 32 -11.538 16.487 -10.623 255 2HH1 ARG 32 2HH1 ARG 32 -12.721 17.673 -11.060 256 1HH2 ARG 32 1HH2 ARG 32 -13.861 15.905 -13.818 257 2HH2 ARG 32 2HH2 ARG 32 -14.036 17.344 -12.869 258 H ASP 33 H ASP 33 -7.432 11.942 -12.334 259 HA ASP 33 HA ASP 33 -8.211 10.469 -14.781 260 1HB ASP 33 1HB ASP 33 -8.492 13.407 -14.299 261 2HB ASP 33 2HB ASP 33 -7.960 12.890 -15.899 262 H ILE 34 H ILE 34 -5.900 10.248 -13.098 263 HA ILE 34 HA ILE 34 -3.772 11.402 -14.875 264 HB ILE 34 HB ILE 34 -4.071 11.057 -11.908 265 1HG1 ILE 34 1HG1 ILE 34 -2.818 13.211 -13.643 266 2HG1 ILE 34 2HG1 ILE 34 -4.476 13.241 -13.041 267 1HG2 ILE 34 1HG2 ILE 34 -1.431 11.163 -13.400 268 2HG2 ILE 34 2HG2 ILE 34 -1.617 11.326 -11.654 269 3HG2 ILE 34 3HG2 ILE 34 -2.027 9.804 -12.447 270 1HD1 ILE 34 1HD1 ILE 34 -3.080 12.759 -10.735 271 2HD1 ILE 34 2HD1 ILE 34 -1.948 13.784 -11.617 272 3HD1 ILE 34 3HD1 ILE 34 -3.580 14.361 -11.275 273 H LYS 35 H LYS 35 -2.885 9.772 -16.082 274 HA LYS 35 HA LYS 35 -2.983 6.975 -15.090 275 1HB LYS 35 1HB LYS 35 -2.224 8.303 -17.711 276 2HB LYS 35 2HB LYS 35 -2.182 6.558 -17.453 277 1HG LYS 35 1HG LYS 35 -4.321 6.767 -18.303 278 2HG LYS 35 2HG LYS 35 -4.663 6.986 -16.587 279 1HD LYS 35 1HD LYS 35 -4.404 9.469 -16.928 280 2HD LYS 35 2HD LYS 35 -4.295 9.161 -18.663 281 1HE LYS 35 1HE LYS 35 -6.577 7.750 -17.609 282 2HE LYS 35 2HE LYS 35 -6.665 9.458 -17.134 283 1HZ LYS 35 1HZ LYS 35 -6.011 9.993 -19.474 284 2HZ LYS 35 2HZ LYS 35 -6.263 8.362 -19.862 285 3HZ LYS 35 3HZ LYS 35 -7.559 9.313 -19.312 286 HA PRO 36 HA PRO 36 1.298 8.088 -13.891 287 1HB PRO 36 1HB PRO 36 1.355 6.445 -11.703 288 2HB PRO 36 2HB PRO 36 0.694 8.092 -11.657 289 1HG PRO 36 1HG PRO 36 -0.729 5.485 -11.829 290 2HG PRO 36 2HG PRO 36 -1.165 6.955 -10.944 291 1HD PRO 36 1HD PRO 36 -2.298 6.219 -13.322 292 2HD PRO 36 2HD PRO 36 -2.181 7.901 -12.759 293 H ILE 37 H ILE 37 3.088 6.914 -14.578 294 HA ILE 37 HA ILE 37 2.622 4.234 -15.721 295 HB ILE 37 HB ILE 37 5.043 6.066 -15.617 296 1HG1 ILE 37 1HG1 ILE 37 3.487 5.622 -18.111 297 2HG1 ILE 37 2HG1 ILE 37 2.696 6.590 -16.867 298 1HG2 ILE 37 1HG2 ILE 37 4.436 3.577 -17.239 299 2HG2 ILE 37 2HG2 ILE 37 5.772 4.676 -17.583 300 3HG2 ILE 37 3HG2 ILE 37 5.733 3.785 -16.061 301 1HD1 ILE 37 1HD1 ILE 37 5.121 7.734 -16.781 302 2HD1 ILE 37 2HD1 ILE 37 5.145 7.184 -18.457 303 3HD1 ILE 37 3HD1 ILE 37 3.873 8.273 -17.903 304 H VAL 38 H VAL 38 4.141 2.442 -15.201 305 HA VAL 38 HA VAL 38 5.416 2.644 -12.504 306 HB VAL 38 HB VAL 38 3.408 0.594 -13.492 307 1HG1 VAL 38 1HG1 VAL 38 5.303 0.610 -11.155 308 2HG1 VAL 38 2HG1 VAL 38 3.744 -0.204 -11.018 309 3HG1 VAL 38 3HG1 VAL 38 4.900 -0.715 -12.248 310 1HG2 VAL 38 1HG2 VAL 38 3.377 2.883 -11.567 311 2HG2 VAL 38 2HG2 VAL 38 2.111 2.319 -12.657 312 3HG2 VAL 38 3HG2 VAL 38 2.434 1.451 -11.156 313 H GLU 39 H GLU 39 7.505 1.966 -12.757 314 HA GLU 39 HA GLU 39 8.161 0.113 -15.003 315 1HB GLU 39 1HB GLU 39 9.268 2.376 -14.657 316 2HB GLU 39 2HB GLU 39 9.990 1.713 -13.190 317 1HG GLU 39 1HG GLU 39 11.245 0.106 -14.399 318 2HG GLU 39 2HG GLU 39 10.278 0.328 -15.858 319 H ILE 40 H ILE 40 8.983 -1.934 -14.585 320 HA ILE 40 HA ILE 40 9.452 -2.659 -11.709 321 HB ILE 40 HB ILE 40 8.205 -4.280 -13.955 322 1HG1 ILE 40 1HG1 ILE 40 6.947 -3.081 -11.466 323 2HG1 ILE 40 2HG1 ILE 40 6.797 -2.401 -13.087 324 1HG2 ILE 40 1HG2 ILE 40 9.111 -4.907 -11.190 325 2HG2 ILE 40 2HG2 ILE 40 7.554 -5.577 -11.680 326 3HG2 ILE 40 3HG2 ILE 40 9.007 -5.956 -12.604 327 1HD1 ILE 40 1HD1 ILE 40 5.954 -5.214 -12.332 328 2HD1 ILE 40 2HD1 ILE 40 4.852 -3.842 -12.446 329 3HD1 ILE 40 3HD1 ILE 40 5.695 -4.417 -13.885 330 H GLN 41 H GLN 41 11.420 -3.630 -11.332 331 HA GLN 41 HA GLN 41 12.887 -4.827 -13.651 332 1HB GLN 41 1HB GLN 41 13.604 -2.487 -13.254 333 2HB GLN 41 2HB GLN 41 13.965 -2.891 -11.575 334 1HG GLN 41 1HG GLN 41 15.614 -4.573 -12.343 335 2HG GLN 41 2HG GLN 41 15.277 -4.123 -14.016 336 1HE2 GLN 41 2HE2 GLN 41 15.901 -1.907 -14.702 337 2HE2 GLN 41 1HE2 GLN 41 17.084 -1.050 -13.837 338 H GLN 42 H GLN 42 11.938 -6.769 -12.369 339 HA GLN 42 HA GLN 42 13.085 -7.381 -9.761 340 1HB GLN 42 1HB GLN 42 12.016 -9.614 -10.286 341 2HB GLN 42 2HB GLN 42 10.919 -8.241 -10.428 342 1HG GLN 42 1HG GLN 42 10.846 -8.355 -12.737 343 2HG GLN 42 2HG GLN 42 12.455 -9.070 -12.856 344 1HE2 GLN 42 2HE2 GLN 42 9.158 -9.813 -13.060 345 2HE2 GLN 42 1HE2 GLN 42 9.266 -11.494 -12.851 346 H LYS 43 H LYS 43 14.383 -9.485 -9.507 347 HA LYS 43 HA LYS 43 16.041 -10.306 -11.791 348 1HB LYS 43 1HB LYS 43 16.922 -8.411 -9.641 349 2HB LYS 43 2HB LYS 43 18.098 -9.559 -10.282 350 1HG LYS 43 1HG LYS 43 17.439 -8.770 -12.604 351 2HG LYS 43 2HG LYS 43 16.534 -7.475 -11.822 352 1HD LYS 43 1HD LYS 43 18.610 -6.742 -10.673 353 2HD LYS 43 2HD LYS 43 19.505 -8.002 -11.524 354 1HE LYS 43 1HE LYS 43 18.991 -6.986 -13.681 355 2HE LYS 43 2HE LYS 43 17.949 -5.781 -12.898 356 1HZ LYS 43 1HZ LYS 43 19.902 -5.151 -11.524 357 2HZ LYS 43 2HZ LYS 43 20.867 -6.160 -12.491 358 3HZ LYS 43 3HZ LYS 43 20.096 -4.808 -13.173 359 H GLY 44 H GLY 44 14.350 -11.832 -10.143 360 1HA GLY 44 1HA GLY 44 15.112 -14.150 -9.476 361 2HA GLY 44 2HA GLY 44 16.309 -13.345 -8.460 362 H ASP 45 H ASP 45 15.673 -12.548 -6.451 363 HA ASP 45 HA ASP 45 12.853 -13.178 -5.648 364 1HB ASP 45 1HB ASP 45 15.550 -13.295 -4.329 365 2HB ASP 45 2HB ASP 45 14.113 -13.107 -3.325 366 H ASP 46 H ASP 46 14.958 -10.615 -6.298 367 HA ASP 46 HA ASP 46 13.696 -8.787 -4.309 368 1HB ASP 46 1HB ASP 46 16.012 -8.531 -6.254 369 2HB ASP 46 2HB ASP 46 15.500 -7.252 -5.153 370 H PHE 47 H PHE 47 12.628 -6.848 -5.044 371 HA PHE 47 HA PHE 47 11.941 -6.761 -7.957 372 1HB PHE 47 1HB PHE 47 10.257 -7.241 -5.582 373 2HB PHE 47 2HB PHE 47 9.625 -6.012 -6.676 374 HD1 PHE 47 HD1 PHE 47 11.364 -9.332 -6.973 375 HD2 PHE 47 HD2 PHE 47 8.173 -6.788 -8.314 376 HE1 PHE 47 HE1 PHE 47 10.604 -11.106 -8.531 377 HE2 PHE 47 HE2 PHE 47 7.414 -8.561 -9.872 378 HZ PHE 47 HZ PHE 47 8.630 -10.720 -9.980 379 H VAL 48 H VAL 48 11.900 -4.671 -8.772 380 HA VAL 48 HA VAL 48 12.104 -2.421 -6.794 381 HB VAL 48 HB VAL 48 13.500 -2.806 -9.463 382 1HG1 VAL 48 1HG1 VAL 48 13.284 -0.537 -7.531 383 2HG1 VAL 48 2HG1 VAL 48 14.847 -0.813 -8.300 384 3HG1 VAL 48 3HG1 VAL 48 13.419 -0.505 -9.289 385 1HG2 VAL 48 1HG2 VAL 48 14.240 -3.345 -6.621 386 2HG2 VAL 48 2HG2 VAL 48 14.724 -4.197 -8.088 387 3HG2 VAL 48 3HG2 VAL 48 15.487 -2.664 -7.666 388 H VAL 49 H VAL 49 10.137 -1.379 -6.977 389 HA VAL 49 HA VAL 49 9.003 -0.984 -9.724 390 HB VAL 49 HB VAL 49 7.742 -0.909 -6.963 391 1HG1 VAL 49 1HG1 VAL 49 6.800 -0.160 -9.662 392 2HG1 VAL 49 2HG1 VAL 49 5.713 -1.225 -8.769 393 3HG1 VAL 49 3HG1 VAL 49 6.189 0.326 -8.080 394 1HG2 VAL 49 1HG2 VAL 49 8.175 -3.024 -9.004 395 2HG2 VAL 49 2HG2 VAL 49 7.985 -3.170 -7.256 396 3HG2 VAL 49 3HG2 VAL 49 6.566 -2.966 -8.283 397 H THR 50 H THR 50 8.826 1.109 -10.473 398 HA THR 50 HA THR 50 9.225 3.342 -8.511 399 HB THR 50 HB THR 50 10.392 3.032 -11.297 400 HG1 THR 50 HG1 THR 50 12.289 2.640 -10.238 401 1HG2 THR 50 1HG2 THR 50 11.716 5.045 -10.631 402 2HG2 THR 50 2HG2 THR 50 9.986 5.368 -10.751 403 3HG2 THR 50 3HG2 THR 50 10.736 5.161 -9.168 404 H SER 51 H SER 51 7.232 4.347 -8.520 405 HA SER 51 HA SER 51 5.634 4.482 -11.009 406 1HB SER 51 1HB SER 51 5.187 5.398 -8.150 407 2HB SER 51 2HB SER 51 3.972 5.482 -9.423 408 HG SER 51 HG SER 51 3.559 3.487 -8.940 409 H LYS 52 H LYS 52 5.464 6.331 -12.248 410 HA LYS 52 HA LYS 52 6.686 8.851 -11.164 411 1HB LYS 52 1HB LYS 52 6.848 7.604 -13.927 412 2HB LYS 52 2HB LYS 52 7.484 9.198 -13.518 413 1HG LYS 52 1HG LYS 52 8.935 8.152 -11.793 414 2HG LYS 52 2HG LYS 52 8.335 6.565 -12.276 415 1HD LYS 52 1HD LYS 52 9.185 6.950 -14.570 416 2HD LYS 52 2HD LYS 52 9.816 8.517 -14.063 417 1HE LYS 52 1HE LYS 52 11.548 7.581 -12.849 418 2HE LYS 52 2HE LYS 52 10.621 6.118 -12.461 419 1HZ LYS 52 1HZ LYS 52 11.500 6.824 -15.207 420 2HZ LYS 52 2HZ LYS 52 12.379 5.790 -14.184 421 3HZ LYS 52 3HZ LYS 52 10.819 5.358 -14.688 422 H THR 53 H THR 53 5.156 10.445 -11.087 423 HA THR 53 HA THR 53 2.797 10.250 -12.921 424 HB THR 53 HB THR 53 2.494 12.180 -10.828 425 HG1 THR 53 HG1 THR 53 2.891 10.812 -9.056 426 1HG2 THR 53 1HG2 THR 53 1.356 9.399 -10.763 427 2HG2 THR 53 2HG2 THR 53 0.582 10.926 -10.337 428 3HG2 THR 53 3HG2 THR 53 0.865 10.522 -12.031 429 HA PRO 54 HA PRO 54 3.870 14.016 -14.898 430 1HB PRO 54 1HB PRO 54 1.479 15.339 -15.055 431 2HB PRO 54 2HB PRO 54 1.856 13.907 -16.034 432 1HG PRO 54 1HG PRO 54 0.218 14.130 -13.562 433 2HG PRO 54 2HG PRO 54 -0.034 13.125 -14.998 434 1HD PRO 54 1HD PRO 54 0.988 12.183 -12.642 435 2HD PRO 54 2HD PRO 54 1.331 11.461 -14.230 436 H ARG 55 H ARG 55 2.420 14.135 -11.751 437 HA ARG 55 HA ARG 55 3.167 17.013 -11.420 438 1HB ARG 55 1HB ARG 55 0.859 16.304 -10.887 439 2HB ARG 55 2HB ARG 55 1.488 15.116 -9.744 440 1HG ARG 55 1HG ARG 55 2.415 17.922 -9.395 441 2HG ARG 55 2HG ARG 55 0.732 17.587 -8.983 442 1HD ARG 55 1HD ARG 55 1.480 15.726 -7.505 443 2HD ARG 55 2HD ARG 55 3.167 16.141 -7.874 444 HE ARG 55 HE ARG 55 2.543 18.484 -6.997 445 1HH1 ARG 55 1HH1 ARG 55 -0.094 16.559 -6.476 446 2HH1 ARG 55 2HH1 ARG 55 -0.142 16.744 -4.755 447 1HH2 ARG 55 1HH2 ARG 55 2.945 18.315 -4.573 448 2HH2 ARG 55 2HH2 ARG 55 1.578 17.739 -3.677 449 H GLN 56 H GLN 56 3.966 13.761 -10.409 450 HA GLN 56 HA GLN 56 6.391 14.721 -9.065 451 1HB GLN 56 1HB GLN 56 5.729 13.800 -6.864 452 2HB GLN 56 2HB GLN 56 4.613 15.067 -7.378 453 1HG GLN 56 1HG GLN 56 2.902 13.561 -7.846 454 2HG GLN 56 2HG GLN 56 4.017 12.219 -8.108 455 1HE2 GLN 56 2HE2 GLN 56 2.909 14.400 -5.452 456 2HE2 GLN 56 1HE2 GLN 56 3.022 13.218 -4.239 457 H THR 57 H THR 57 7.717 12.829 -8.305 458 HA THR 57 HA THR 57 6.923 10.258 -9.629 459 HB THR 57 HB THR 57 9.452 10.163 -10.177 460 HG1 THR 57 HG1 THR 57 10.245 11.805 -8.988 461 1HG2 THR 57 1HG2 THR 57 9.122 11.699 -12.159 462 2HG2 THR 57 2HG2 THR 57 7.850 10.498 -11.938 463 3HG2 THR 57 3HG2 THR 57 7.578 12.170 -11.448 464 H VAL 58 H VAL 58 7.075 8.558 -8.216 465 HA VAL 58 HA VAL 58 8.887 8.857 -5.839 466 HB VAL 58 HB VAL 58 6.161 7.534 -6.046 467 1HG1 VAL 58 1HG1 VAL 58 7.960 8.081 -3.665 468 2HG1 VAL 58 2HG1 VAL 58 6.337 7.398 -3.583 469 3HG1 VAL 58 3HG1 VAL 58 7.636 6.496 -4.366 470 1HG2 VAL 58 1HG2 VAL 58 6.205 10.063 -6.200 471 2HG2 VAL 58 2HG2 VAL 58 5.319 9.430 -4.810 472 3HG2 VAL 58 3HG2 VAL 58 6.945 10.080 -4.599 473 H THR 59 H THR 59 10.305 7.161 -5.573 474 HA THR 59 HA THR 59 9.900 4.736 -7.288 475 HB THR 59 HB THR 59 12.434 5.881 -6.072 476 HG1 THR 59 HG1 THR 59 12.519 7.153 -7.732 477 1HG2 THR 59 1HG2 THR 59 13.213 4.468 -8.231 478 2HG2 THR 59 2HG2 THR 59 13.068 3.750 -6.626 479 3HG2 THR 59 3HG2 THR 59 11.767 3.556 -7.801 480 H ASN 60 H ASN 60 9.808 2.748 -6.263 481 HA ASN 60 HA ASN 60 10.502 2.640 -3.349 482 1HB ASN 60 1HB ASN 60 8.086 1.437 -4.739 483 2HB ASN 60 2HB ASN 60 8.432 1.365 -3.011 484 1HD2 ASN 60 2HD2 ASN 60 9.396 4.111 -2.750 485 2HD2 ASN 60 1HD2 ASN 60 8.057 5.133 -2.956 486 H SER 61 H SER 61 11.274 0.573 -2.650 487 HA SER 61 HA SER 61 11.604 -1.536 -4.737 488 1HB SER 61 1HB SER 61 13.737 -0.056 -3.191 489 2HB SER 61 2HB SER 61 14.044 -1.645 -3.884 490 HG SER 61 HG SER 61 14.592 0.109 -5.293 491 H PHE 62 H PHE 62 11.424 -3.590 -3.858 492 HA PHE 62 HA PHE 62 11.817 -3.982 -0.940 493 1HB PHE 62 1HB PHE 62 9.527 -4.948 -0.765 494 2HB PHE 62 2HB PHE 62 9.486 -3.247 -1.231 495 HD1 PHE 62 HD1 PHE 62 9.319 -6.722 -2.566 496 HD2 PHE 62 HD2 PHE 62 8.552 -2.561 -3.306 497 HE1 PHE 62 HE1 PHE 62 8.082 -7.317 -4.631 498 HE2 PHE 62 HE2 PHE 62 7.316 -3.157 -5.372 499 HZ PHE 62 HZ PHE 62 7.080 -5.535 -6.034 500 H THR 63 H THR 63 11.801 -6.330 -0.394 501 HA THR 63 HA THR 63 12.582 -8.002 -2.758 502 HB THR 63 HB THR 63 13.316 -8.201 0.182 503 HG1 THR 63 HG1 THR 63 14.279 -6.421 -0.726 504 1HG2 THR 63 1HG2 THR 63 15.198 -9.628 -1.034 505 2HG2 THR 63 2HG2 THR 63 13.657 -10.356 -0.586 506 3HG2 THR 63 3HG2 THR 63 13.934 -9.832 -2.247 507 H LEU 64 H LEU 64 11.611 -10.042 -2.987 508 HA LEU 64 HA LEU 64 9.026 -10.468 -1.777 509 1HB LEU 64 1HB LEU 64 10.931 -12.150 -3.426 510 2HB LEU 64 2HB LEU 64 9.316 -12.701 -2.980 511 HG LEU 64 HG LEU 64 9.609 -9.996 -4.232 512 1HD1 LEU 64 1HD1 LEU 64 9.950 -12.656 -5.599 513 2HD1 LEU 64 2HD1 LEU 64 9.203 -11.309 -6.458 514 3HD1 LEU 64 3HD1 LEU 64 10.850 -11.159 -5.847 515 1HD2 LEU 64 1HD2 LEU 64 7.540 -12.186 -4.063 516 2HD2 LEU 64 2HD2 LEU 64 7.400 -10.498 -3.572 517 3HD2 LEU 64 3HD2 LEU 64 7.413 -10.919 -5.284 518 H GLY 65 H GLY 65 8.630 -11.348 0.214 519 1HA GLY 65 1HA GLY 65 8.846 -12.978 1.948 520 2HA GLY 65 2HA GLY 65 10.383 -13.486 1.245 521 H LYS 66 H LYS 66 9.931 -10.091 1.629 522 HA LYS 66 HA LYS 66 11.258 -10.039 4.284 523 1HB LYS 66 1HB LYS 66 12.448 -9.074 1.668 524 2HB LYS 66 2HB LYS 66 13.074 -8.590 3.245 525 1HG LYS 66 1HG LYS 66 13.351 -11.020 3.813 526 2HG LYS 66 2HG LYS 66 12.894 -11.412 2.155 527 1HD LYS 66 1HD LYS 66 14.779 -9.982 1.344 528 2HD LYS 66 2HD LYS 66 15.274 -9.746 3.021 529 1HE LYS 66 1HE LYS 66 15.761 -12.083 3.302 530 2HE LYS 66 2HE LYS 66 14.982 -12.492 1.761 531 1HZ LYS 66 1HZ LYS 66 16.587 -11.058 0.629 532 2HZ LYS 66 2HZ LYS 66 17.365 -10.749 2.108 533 3HZ LYS 66 3HZ LYS 66 17.368 -12.318 1.462 534 H GLU 67 H GLU 67 10.711 -8.165 5.400 535 HA GLU 67 HA GLU 67 8.649 -6.436 4.326 536 1HB GLU 67 1HB GLU 67 8.933 -7.119 6.710 537 2HB GLU 67 2HB GLU 67 10.418 -6.170 6.780 538 1HG GLU 67 1HG GLU 67 9.141 -4.132 6.211 539 2HG GLU 67 2HG GLU 67 7.656 -5.081 6.159 540 H ALA 68 H ALA 68 8.888 -4.442 3.344 541 HA ALA 68 HA ALA 68 11.574 -3.128 3.423 542 1HB ALA 68 1HB ALA 68 10.765 -4.666 1.347 543 2HB ALA 68 2HB ALA 68 10.054 -3.125 0.865 544 3HB ALA 68 3HB ALA 68 11.793 -3.248 1.136 545 H ASP 69 H ASP 69 11.461 -0.845 3.298 546 HA ASP 69 HA ASP 69 8.920 0.370 4.045 547 1HB ASP 69 1HB ASP 69 10.358 2.439 3.984 548 2HB ASP 69 2HB ASP 69 11.043 1.136 4.956 549 H ILE 70 H ILE 70 7.565 1.618 2.737 550 HA ILE 70 HA ILE 70 8.397 2.105 -0.092 551 HB ILE 70 HB ILE 70 5.877 0.746 0.917 552 1HG1 ILE 70 1HG1 ILE 70 8.092 -0.204 -0.930 553 2HG1 ILE 70 2HG1 ILE 70 7.917 -0.673 0.761 554 1HG2 ILE 70 1HG2 ILE 70 5.730 2.445 -1.078 555 2HG2 ILE 70 2HG2 ILE 70 6.550 1.173 -1.982 556 3HG2 ILE 70 3HG2 ILE 70 4.982 0.856 -1.241 557 1HD1 ILE 70 1HD1 ILE 70 5.572 -1.483 0.154 558 2HD1 ILE 70 2HD1 ILE 70 6.045 -1.285 -1.534 559 3HD1 ILE 70 3HD1 ILE 70 6.906 -2.429 -0.505 560 H THR 71 H THR 71 7.462 3.992 -0.979 561 HA THR 71 HA THR 71 5.904 5.676 0.951 562 HB THR 71 HB THR 71 6.868 7.475 -0.718 563 HG1 THR 71 HG1 THR 71 8.838 6.725 -1.613 564 1HG2 THR 71 1HG2 THR 71 8.976 7.528 0.609 565 2HG2 THR 71 2HG2 THR 71 7.548 7.300 1.618 566 3HG2 THR 71 3HG2 THR 71 8.588 5.926 1.238 567 H THR 72 H THR 72 4.031 6.745 0.170 568 HA THR 72 HA THR 72 2.883 5.598 -2.329 569 HB THR 72 HB THR 72 0.854 6.918 -1.209 570 HG1 THR 72 HG1 THR 72 2.507 6.358 1.013 571 1HG2 THR 72 1HG2 THR 72 0.693 4.841 0.403 572 2HG2 THR 72 2HG2 THR 72 0.608 4.609 -1.343 573 3HG2 THR 72 3HG2 THR 72 2.116 4.296 -0.484 574 H MET 73 H MET 73 1.795 7.076 -3.845 575 HA MET 73 HA MET 73 3.348 9.416 -4.493 576 1HB MET 73 1HB MET 73 1.738 7.733 -5.829 577 2HB MET 73 2HB MET 73 0.571 9.018 -5.521 578 1HG MET 73 1HG MET 73 2.164 10.662 -6.495 579 2HG MET 73 2HG MET 73 3.267 9.338 -6.872 580 1HE MET 73 1HE MET 73 2.211 7.081 -8.051 581 2HE MET 73 2HE MET 73 0.665 7.255 -7.210 582 3HE MET 73 3HE MET 73 0.704 7.086 -8.963 583 H ASP 74 H ASP 74 0.672 8.895 -2.367 584 HA ASP 74 HA ASP 74 -0.261 11.694 -2.449 585 1HB ASP 74 1HB ASP 74 -1.854 10.840 -0.762 586 2HB ASP 74 2HB ASP 74 -1.782 9.757 -2.153 587 H GLY 75 H GLY 75 2.060 9.796 -0.717 588 1HA GLY 75 1HA GLY 75 3.756 11.035 0.598 589 2HA GLY 75 2HA GLY 75 2.454 12.076 1.175 590 H LYS 76 H LYS 76 1.970 8.628 0.900 591 HA LYS 76 HA LYS 76 1.703 8.490 3.868 592 1HB LYS 76 1HB LYS 76 0.340 7.437 1.532 593 2HB LYS 76 2HB LYS 76 0.791 6.129 2.628 594 1HG LYS 76 1HG LYS 76 -0.196 7.546 4.510 595 2HG LYS 76 2HG LYS 76 -0.879 8.574 3.249 596 1HD LYS 76 1HD LYS 76 -2.030 6.609 2.279 597 2HD LYS 76 2HD LYS 76 -1.369 5.598 3.563 598 1HE LYS 76 1HE LYS 76 -2.578 6.861 5.260 599 2HE LYS 76 2HE LYS 76 -3.146 8.017 4.038 600 1HZ LYS 76 1HZ LYS 76 -3.661 5.091 3.980 601 2HZ LYS 76 2HZ LYS 76 -4.786 6.257 4.480 602 3HZ LYS 76 3HZ LYS 76 -4.243 6.236 2.869 603 H LYS 77 H LYS 77 3.124 7.250 5.053 604 HA LYS 77 HA LYS 77 5.136 5.629 3.535 605 1HB LYS 77 1HB LYS 77 5.132 7.305 6.021 606 2HB LYS 77 2HB LYS 77 6.290 5.980 5.904 607 1HG LYS 77 1HG LYS 77 6.982 6.905 3.653 608 2HG LYS 77 2HG LYS 77 5.981 8.315 4.000 609 1HD LYS 77 1HD LYS 77 7.343 9.011 5.775 610 2HD LYS 77 2HD LYS 77 8.041 7.405 5.993 611 1HE LYS 77 1HE LYS 77 9.778 8.598 4.913 612 2HE LYS 77 2HE LYS 77 8.977 7.768 3.563 613 1HZ LYS 77 1HZ LYS 77 7.509 9.756 3.380 614 2HZ LYS 77 2HZ LYS 77 8.516 10.551 4.489 615 3HZ LYS 77 3HZ LYS 77 9.134 10.057 2.985 616 H LEU 78 H LEU 78 5.246 3.441 3.966 617 HA LEU 78 HA LEU 78 4.306 2.298 6.491 618 1HB LEU 78 1HB LEU 78 2.415 1.090 5.484 619 2HB LEU 78 2HB LEU 78 2.209 2.828 5.255 620 HG LEU 78 HG LEU 78 3.743 1.574 3.098 621 1HD1 LEU 78 1HD1 LEU 78 1.300 0.282 4.037 622 2HD1 LEU 78 2HD1 LEU 78 1.150 0.845 2.373 623 3HD1 LEU 78 3HD1 LEU 78 2.453 -0.258 2.815 624 1HD2 LEU 78 1HD2 LEU 78 2.492 3.893 3.368 625 2HD2 LEU 78 2HD2 LEU 78 2.548 3.093 1.798 626 3HD2 LEU 78 3HD2 LEU 78 1.102 2.968 2.800 627 H LYS 79 H LYS 79 4.644 -0.082 6.505 628 HA LYS 79 HA LYS 79 6.761 -0.882 4.553 629 1HB LYS 79 1HB LYS 79 5.974 -2.076 7.230 630 2HB LYS 79 2HB LYS 79 7.454 -2.398 6.325 631 1HG LYS 79 1HG LYS 79 8.213 -0.122 6.627 632 2HG LYS 79 2HG LYS 79 6.671 0.345 7.346 633 1HD LYS 79 1HD LYS 79 7.065 -1.154 9.241 634 2HD LYS 79 2HD LYS 79 8.572 -1.711 8.511 635 1HE LYS 79 1HE LYS 79 9.604 0.443 8.773 636 2HE LYS 79 2HE LYS 79 8.056 1.200 9.199 637 1HZ LYS 79 1HZ LYS 79 9.285 -1.034 10.722 638 2HZ LYS 79 2HZ LYS 79 9.442 0.601 11.156 639 3HZ LYS 79 3HZ LYS 79 7.911 -0.137 11.154 640 H CYS 80 H CYS 80 6.618 -2.968 3.540 641 HA CYS 80 HA CYS 80 4.182 -4.596 3.942 642 1HB CYS 80 1HB CYS 80 4.615 -2.644 1.781 643 2HB CYS 80 2HB CYS 80 4.159 -4.247 1.203 644 HG CYS 80 HG CYS 80 2.407 -3.063 3.467 645 H THR 81 H THR 81 4.572 -6.740 3.363 646 HA THR 81 HA THR 81 7.300 -7.356 2.318 647 HB THR 81 HB THR 81 5.274 -9.232 3.556 648 HG1 THR 81 HG1 THR 81 5.481 -7.914 5.198 649 1HG2 THR 81 1HG2 THR 81 7.720 -10.027 4.392 650 2HG2 THR 81 2HG2 THR 81 6.981 -10.601 2.897 651 3HG2 THR 81 3HG2 THR 81 8.155 -9.286 2.852 652 H VAL 82 H VAL 82 6.711 -6.962 0.050 653 HA VAL 82 HA VAL 82 4.541 -8.048 -1.367 654 HB VAL 82 HB VAL 82 7.407 -7.878 -2.336 655 1HG1 VAL 82 1HG1 VAL 82 4.702 -7.969 -3.577 656 2HG1 VAL 82 2HG1 VAL 82 5.879 -6.882 -4.315 657 3HG1 VAL 82 3HG1 VAL 82 6.235 -8.604 -4.174 658 1HG2 VAL 82 1HG2 VAL 82 5.423 -5.743 -1.602 659 2HG2 VAL 82 2HG2 VAL 82 7.163 -5.788 -1.318 660 3HG2 VAL 82 3HG2 VAL 82 6.542 -5.463 -2.936 661 H HIS 83 H HIS 83 4.291 -10.037 -2.550 662 HA HIS 83 HA HIS 83 6.257 -12.208 -2.007 663 1HB HIS 83 1HB HIS 83 3.810 -11.773 -0.607 664 2HB HIS 83 2HB HIS 83 3.588 -13.198 -1.622 665 HD1 HIS 83 HD1 HIS 83 5.819 -11.848 1.119 666 HD2 HIS 83 HD2 HIS 83 5.044 -15.461 -0.810 667 HE1 HIS 83 HE1 HIS 83 7.052 -13.635 2.423 668 H LEU 84 H LEU 84 6.175 -13.868 -3.598 669 HA LEU 84 HA LEU 84 4.582 -13.182 -6.028 670 1HB LEU 84 1HB LEU 84 7.245 -14.122 -5.421 671 2HB LEU 84 2HB LEU 84 6.442 -15.269 -6.494 672 HG LEU 84 HG LEU 84 6.617 -12.279 -6.968 673 1HD1 LEU 84 1HD1 LEU 84 8.214 -14.631 -7.969 674 2HD1 LEU 84 2HD1 LEU 84 8.046 -13.175 -8.952 675 3HD1 LEU 84 3HD1 LEU 84 8.795 -13.082 -7.358 676 1HD2 LEU 84 1HD2 LEU 84 5.272 -14.573 -8.350 677 2HD2 LEU 84 2HD2 LEU 84 4.712 -12.915 -8.133 678 3HD2 LEU 84 3HD2 LEU 84 5.944 -13.277 -9.341 679 H ALA 85 H ALA 85 2.598 -14.230 -5.845 680 HA ALA 85 HA ALA 85 2.637 -17.132 -5.084 681 1HB ALA 85 1HB ALA 85 0.730 -14.841 -4.727 682 2HB ALA 85 2HB ALA 85 0.086 -16.483 -4.781 683 3HB ALA 85 3HB ALA 85 1.264 -16.038 -3.547 684 H ASN 86 H ASN 86 2.019 -18.578 -6.657 685 HA ASN 86 HA ASN 86 1.427 -19.331 -8.826 686 1HB ASN 86 1HB ASN 86 -0.699 -18.584 -7.462 687 2HB ASN 86 2HB ASN 86 -0.763 -17.278 -8.647 688 1HD2 ASN 86 2HD2 ASN 86 -2.697 -18.150 -9.683 689 2HD2 ASN 86 1HD2 ASN 86 -2.636 -19.563 -10.623 690 H GLY 87 H GLY 87 3.379 -17.189 -8.842 691 1HA GLY 87 1HA GLY 87 4.373 -15.763 -10.419 692 2HA GLY 87 2HA GLY 87 3.196 -16.366 -11.586 693 H LYS 88 H LYS 88 2.602 -14.648 -8.524 694 HA LYS 88 HA LYS 88 1.704 -12.246 -10.023 695 1HB LYS 88 1HB LYS 88 -0.047 -13.997 -8.266 696 2HB LYS 88 2HB LYS 88 -0.526 -12.416 -8.884 697 1HG LYS 88 1HG LYS 88 -0.072 -13.292 -11.214 698 2HG LYS 88 2HG LYS 88 0.131 -14.892 -10.499 699 1HD LYS 88 1HD LYS 88 -2.251 -13.990 -9.389 700 2HD LYS 88 2HD LYS 88 -2.327 -13.406 -11.051 701 1HE LYS 88 1HE LYS 88 -1.993 -15.635 -11.930 702 2HE LYS 88 2HE LYS 88 -1.649 -16.273 -10.310 703 1HZ LYS 88 1HZ LYS 88 -4.168 -14.853 -10.952 704 2HZ LYS 88 2HZ LYS 88 -4.015 -16.537 -11.122 705 3HZ LYS 88 3HZ LYS 88 -3.826 -15.819 -9.597 706 H LEU 89 H LEU 89 2.617 -10.574 -8.899 707 HA LEU 89 HA LEU 89 3.634 -10.825 -6.210 708 1HB LEU 89 1HB LEU 89 4.323 -9.290 -8.169 709 2HB LEU 89 2HB LEU 89 2.972 -8.266 -7.678 710 HG LEU 89 HG LEU 89 4.622 -9.077 -5.408 711 1HD1 LEU 89 1HD1 LEU 89 5.876 -7.602 -7.733 712 2HD1 LEU 89 2HD1 LEU 89 6.485 -7.462 -6.083 713 3HD1 LEU 89 3HD1 LEU 89 6.491 -9.028 -6.897 714 1HD2 LEU 89 1HD2 LEU 89 3.194 -6.741 -6.489 715 2HD2 LEU 89 2HD2 LEU 89 3.419 -7.244 -4.813 716 3HD2 LEU 89 3HD2 LEU 89 4.681 -6.327 -5.636 717 H VAL 90 H VAL 90 2.594 -10.432 -4.281 718 HA VAL 90 HA VAL 90 0.011 -8.926 -4.324 719 HB VAL 90 HB VAL 90 0.498 -11.570 -2.915 720 1HG1 VAL 90 1HG1 VAL 90 -1.271 -9.832 -2.113 721 2HG1 VAL 90 2HG1 VAL 90 -2.155 -10.296 -3.567 722 3HG1 VAL 90 3HG1 VAL 90 -1.783 -11.504 -2.338 723 1HG2 VAL 90 1HG2 VAL 90 -0.345 -10.912 -5.676 724 2HG2 VAL 90 2HG2 VAL 90 0.350 -12.402 -5.037 725 3HG2 VAL 90 3HG2 VAL 90 -1.372 -12.076 -4.839 726 H THR 91 H THR 91 0.214 -7.308 -2.830 727 HA THR 91 HA THR 91 1.999 -7.772 -0.465 728 HB THR 91 HB THR 91 1.128 -5.218 -1.858 729 HG1 THR 91 HG1 THR 91 3.510 -6.748 -1.922 730 1HG2 THR 91 1HG2 THR 91 3.223 -4.430 -0.472 731 2HG2 THR 91 2HG2 THR 91 1.643 -4.531 0.305 732 3HG2 THR 91 3HG2 THR 91 2.826 -5.819 0.540 733 H LYS 92 H LYS 92 0.377 -8.622 0.948 734 HA LYS 92 HA LYS 92 -2.099 -7.038 1.371 735 1HB LYS 92 1HB LYS 92 -2.692 -9.001 2.769 736 2HB LYS 92 2HB LYS 92 -2.164 -9.499 1.161 737 1HG LYS 92 1HG LYS 92 0.102 -9.938 2.043 738 2HG LYS 92 2HG LYS 92 -0.436 -9.458 3.653 739 1HD LYS 92 1HD LYS 92 -2.255 -11.263 3.393 740 2HD LYS 92 2HD LYS 92 -1.298 -11.857 2.035 741 1HE LYS 92 1HE LYS 92 0.613 -12.264 3.456 742 2HE LYS 92 2HE LYS 92 -0.164 -11.438 4.822 743 1HZ LYS 92 1HZ LYS 92 -2.020 -13.066 4.578 744 2HZ LYS 92 2HZ LYS 92 -1.053 -13.934 3.483 745 3HZ LYS 92 3HZ LYS 92 -0.560 -13.751 5.098 746 H SER 93 H SER 93 -2.692 -6.484 3.652 747 HA SER 93 HA SER 93 -0.431 -6.262 5.564 748 1HB SER 93 1HB SER 93 -0.220 -4.272 4.204 749 2HB SER 93 2HB SER 93 -1.951 -3.959 4.306 750 HG SER 93 HG SER 93 -1.019 -2.680 5.829 751 H GLU 94 H GLU 94 -1.832 -4.328 7.205 752 HA GLU 94 HA GLU 94 -4.054 -6.071 8.197 753 1HB GLU 94 1HB GLU 94 -3.486 -5.226 10.351 754 2HB GLU 94 2HB GLU 94 -1.936 -5.476 9.545 755 1HG GLU 94 1HG GLU 94 -1.485 -3.245 9.437 756 2HG GLU 94 2HG GLU 94 -3.162 -2.825 9.088 757 H LYS 95 H LYS 95 -4.107 -3.829 6.064 758 HA LYS 95 HA LYS 95 -6.614 -2.620 6.962 759 1HB LYS 95 1HB LYS 95 -5.672 -0.293 6.867 760 2HB LYS 95 2HB LYS 95 -4.992 -1.260 8.176 761 1HG LYS 95 1HG LYS 95 -2.915 -1.206 7.278 762 2HG LYS 95 2HG LYS 95 -3.519 -1.550 5.657 763 1HD LYS 95 1HD LYS 95 -2.572 0.648 5.563 764 2HD LYS 95 2HD LYS 95 -4.323 0.865 5.575 765 1HE LYS 95 1HE LYS 95 -3.736 2.382 7.239 766 2HE LYS 95 2HE LYS 95 -3.897 0.920 8.232 767 1HZ LYS 95 1HZ LYS 95 -1.546 0.457 7.844 768 2HZ LYS 95 2HZ LYS 95 -1.397 1.893 6.948 769 3HZ LYS 95 3HZ LYS 95 -1.749 1.955 8.609 770 H PHE 96 H PHE 96 -4.730 -3.836 4.595 771 HA PHE 96 HA PHE 96 -6.432 -3.022 2.436 772 1HB PHE 96 1HB PHE 96 -4.947 -1.434 1.323 773 2HB PHE 96 2HB PHE 96 -5.256 -0.870 2.965 774 HD1 PHE 96 HD1 PHE 96 -2.937 -3.424 1.479 775 HD2 PHE 96 HD2 PHE 96 -3.357 0.098 3.900 776 HE1 PHE 96 HE1 PHE 96 -0.503 -3.459 1.952 777 HE2 PHE 96 HE2 PHE 96 -0.923 0.064 4.373 778 HZ PHE 96 HZ PHE 96 0.504 -1.715 3.399 779 H SER 97 H SER 97 -6.059 -4.396 0.693 780 HA SER 97 HA SER 97 -3.611 -6.121 0.852 781 1HB SER 97 1HB SER 97 -5.638 -7.363 1.186 782 2HB SER 97 2HB SER 97 -6.439 -6.540 -0.149 783 HG SER 97 HG SER 97 -5.777 -8.398 -1.041 784 H HIS 98 H HIS 98 -2.826 -6.886 -1.331 785 HA HIS 98 HA HIS 98 -3.521 -5.122 -3.619 786 1HB HIS 98 1HB HIS 98 -1.759 -4.005 -2.239 787 2HB HIS 98 2HB HIS 98 -0.723 -5.413 -2.476 788 HD2 HIS 98 HD2 HIS 98 -1.330 -2.086 -4.191 789 HE1 HIS 98 HE1 HIS 98 0.173 -4.623 -7.228 790 HE2 HIS 98 HE2 HIS 98 -0.362 -2.246 -6.589 791 H GLU 99 H GLU 99 -3.338 -6.252 -5.543 792 HA GLU 99 HA GLU 99 -1.563 -8.620 -5.710 793 1HB GLU 99 1HB GLU 99 -3.759 -9.314 -4.700 794 2HB GLU 99 2HB GLU 99 -4.559 -8.756 -6.170 795 1HG GLU 99 1HG GLU 99 -3.379 -10.372 -7.516 796 2HG GLU 99 2HG GLU 99 -2.344 -10.821 -6.160 797 H GLN 100 H GLN 100 -0.666 -8.624 -7.737 798 HA GLN 100 HA GLN 100 -2.221 -7.383 -9.982 799 1HB GLN 100 1HB GLN 100 -0.552 -5.811 -9.115 800 2HB GLN 100 2HB GLN 100 0.704 -7.043 -9.243 801 1HG GLN 100 1HG GLN 100 0.233 -7.158 -11.716 802 2HG GLN 100 2HG GLN 100 -0.842 -5.774 -11.519 803 1HE2 GLN 100 2HE2 GLN 100 2.141 -6.363 -12.632 804 2HE2 GLN 100 1HE2 GLN 100 2.964 -4.975 -12.106 805 H GLU 101 H GLU 101 -1.508 -8.182 -12.125 806 HA GLU 101 HA GLU 101 0.229 -10.572 -12.188 807 1HB GLU 101 1HB GLU 101 -1.988 -11.379 -11.437 808 2HB GLU 101 2HB GLU 101 -2.732 -10.644 -12.858 809 1HG GLU 101 1HG GLU 101 -1.420 -12.091 -14.332 810 2HG GLU 101 2HG GLU 101 -0.588 -12.787 -12.941 811 H VAL 102 H VAL 102 0.901 -11.063 -14.346 812 HA VAL 102 HA VAL 102 0.129 -9.001 -16.384 813 HB VAL 102 HB VAL 102 2.478 -9.033 -15.494 814 1HG1 VAL 102 1HG1 VAL 102 2.600 -11.479 -15.116 815 2HG1 VAL 102 2HG1 VAL 102 2.554 -11.742 -16.860 816 3HG1 VAL 102 3HG1 VAL 102 3.930 -10.916 -16.128 817 1HG2 VAL 102 1HG2 VAL 102 1.866 -8.293 -17.841 818 2HG2 VAL 102 2HG2 VAL 102 3.531 -8.847 -17.657 819 3HG2 VAL 102 3HG2 VAL 102 2.326 -9.904 -18.394 820 H LYS 103 H LYS 103 -0.511 -9.733 -18.427 821 HA LYS 103 HA LYS 103 -0.483 -12.694 -18.897 822 1HB LYS 103 1HB LYS 103 -2.743 -10.694 -19.200 823 2HB LYS 103 2HB LYS 103 -2.810 -12.340 -19.830 824 1HG LYS 103 1HG LYS 103 -2.374 -13.196 -17.523 825 2HG LYS 103 2HG LYS 103 -2.454 -11.538 -16.928 826 1HD LYS 103 1HD LYS 103 -4.765 -11.410 -18.022 827 2HD LYS 103 2HD LYS 103 -4.664 -13.163 -18.198 828 1HE LYS 103 1HE LYS 103 -5.102 -13.502 -15.991 829 2HE LYS 103 2HE LYS 103 -3.957 -12.239 -15.496 830 1HZ LYS 103 1HZ LYS 103 -5.589 -10.579 -16.279 831 2HZ LYS 103 2HZ LYS 103 -6.700 -11.828 -16.564 832 3HZ LYS 103 3HZ LYS 103 -6.171 -11.508 -14.981 833 H GLY 104 H GLY 104 1.235 -12.452 -20.441 834 1HA GLY 104 1HA GLY 104 1.900 -12.314 -22.711 835 2HA GLY 104 2HA GLY 104 0.350 -11.557 -23.084 836 H ASN 105 H ASN 105 0.352 -9.378 -23.424 837 HA ASN 105 HA ASN 105 2.836 -7.871 -22.676 838 1HB ASN 105 1HB ASN 105 0.886 -7.759 -24.979 839 2HB ASN 105 2HB ASN 105 1.945 -6.395 -24.623 840 1HD2 ASN 105 2HD2 ASN 105 1.815 -8.950 -26.652 841 2HD2 ASN 105 1HD2 ASN 105 3.464 -9.333 -26.777 842 H GLU 106 H GLU 106 -0.154 -8.333 -21.511 843 HA GLU 106 HA GLU 106 -0.631 -5.430 -20.919 844 1HB GLU 106 1HB GLU 106 -2.447 -7.851 -21.100 845 2HB GLU 106 2HB GLU 106 -2.987 -6.288 -20.484 846 1HG GLU 106 1HG GLU 106 -2.387 -5.217 -22.608 847 2HG GLU 106 2HG GLU 106 -1.786 -6.754 -23.230 848 H MET 107 H MET 107 -1.227 -4.916 -18.708 849 HA MET 107 HA MET 107 -0.489 -7.035 -16.712 850 1HB MET 107 1HB MET 107 0.579 -4.388 -17.294 851 2HB MET 107 2HB MET 107 0.052 -4.510 -15.615 852 1HG MET 107 1HG MET 107 1.315 -6.875 -15.825 853 2HG MET 107 2HG MET 107 2.231 -5.968 -17.028 854 1HE MET 107 1HE MET 107 3.794 -7.004 -15.447 855 2HE MET 107 2HE MET 107 4.751 -5.890 -14.471 856 3HE MET 107 3HE MET 107 3.537 -6.926 -13.706 857 H VAL 108 H VAL 108 -1.853 -7.178 -14.912 858 HA VAL 108 HA VAL 108 -4.105 -5.201 -14.756 859 HB VAL 108 HB VAL 108 -4.134 -8.221 -14.436 860 1HG1 VAL 108 1HG1 VAL 108 -6.330 -6.144 -14.188 861 2HG1 VAL 108 2HG1 VAL 108 -6.616 -7.882 -14.281 862 3HG1 VAL 108 3HG1 VAL 108 -5.733 -7.206 -12.913 863 1HG2 VAL 108 1HG2 VAL 108 -3.953 -7.274 -16.781 864 2HG2 VAL 108 2HG2 VAL 108 -5.400 -8.239 -16.490 865 3HG2 VAL 108 3HG2 VAL 108 -5.503 -6.478 -16.505 866 H GLU 109 H GLU 109 -4.076 -4.210 -12.780 867 HA GLU 109 HA GLU 109 -2.733 -5.601 -10.499 868 1HB GLU 109 1HB GLU 109 -3.402 -2.717 -11.149 869 2HB GLU 109 2HB GLU 109 -2.735 -3.219 -9.595 870 1HG GLU 109 1HG GLU 109 -0.707 -3.954 -10.572 871 2HG GLU 109 2HG GLU 109 -1.398 -3.968 -12.195 872 H THR 110 H THR 110 -4.092 -6.498 -9.004 873 HA THR 110 HA THR 110 -6.870 -5.392 -8.764 874 HB THR 110 HB THR 110 -5.801 -8.117 -7.973 875 HG1 THR 110 HG1 THR 110 -7.025 -7.230 -10.371 876 1HG2 THR 110 1HG2 THR 110 -8.238 -8.706 -8.201 877 2HG2 THR 110 2HG2 THR 110 -7.893 -7.574 -6.893 878 3HG2 THR 110 3HG2 THR 110 -8.576 -6.987 -8.410 879 H ILE 111 H ILE 111 -7.058 -4.130 -6.951 880 HA ILE 111 HA ILE 111 -5.610 -5.011 -4.472 881 HB ILE 111 HB ILE 111 -6.215 -2.189 -5.417 882 1HG1 ILE 111 1HG1 ILE 111 -3.608 -3.746 -5.466 883 2HG1 ILE 111 2HG1 ILE 111 -4.580 -3.348 -6.883 884 1HG2 ILE 111 1HG2 ILE 111 -5.965 -2.650 -2.923 885 2HG2 ILE 111 2HG2 ILE 111 -4.302 -3.128 -3.267 886 3HG2 ILE 111 3HG2 ILE 111 -4.831 -1.478 -3.594 887 1HD1 ILE 111 1HD1 ILE 111 -3.408 -1.300 -4.979 888 2HD1 ILE 111 2HD1 ILE 111 -2.692 -1.751 -6.527 889 3HD1 ILE 111 3HD1 ILE 111 -4.270 -0.965 -6.481 890 H THR 112 H THR 112 -6.947 -5.270 -2.714 891 HA THR 112 HA THR 112 -9.776 -4.323 -2.969 892 HB THR 112 HB THR 112 -8.517 -6.492 -1.257 893 HG1 THR 112 HG1 THR 112 -9.631 -7.834 -2.809 894 1HG2 THR 112 1HG2 THR 112 -11.437 -6.122 -1.920 895 2HG2 THR 112 2HG2 THR 112 -10.719 -7.125 -0.659 896 3HG2 THR 112 3HG2 THR 112 -10.706 -5.369 -0.502 897 H PHE 113 H PHE 113 -10.579 -2.924 -1.412 898 HA PHE 113 HA PHE 113 -9.227 -2.590 1.181 899 1HB PHE 113 1HB PHE 113 -7.893 -1.295 -0.515 900 2HB PHE 113 2HB PHE 113 -9.333 -0.329 -0.839 901 HD1 PHE 113 HD1 PHE 113 -10.492 0.742 1.266 902 HD2 PHE 113 HD2 PHE 113 -6.418 -0.615 1.169 903 HE1 PHE 113 HE1 PHE 113 -9.965 2.184 3.212 904 HE2 PHE 113 HE2 PHE 113 -5.891 0.828 3.116 905 HZ PHE 113 HZ PHE 113 -7.665 2.228 4.137 906 H GLY 114 H GLY 114 -10.851 -2.190 2.629 907 1HA GLY 114 1HA GLY 114 -12.871 -1.384 3.519 908 2HA GLY 114 2HA GLY 114 -12.925 -0.243 2.174 909 H GLY 115 H GLY 115 -12.733 -3.737 1.759 910 1HA GLY 115 1HA GLY 115 -14.327 -5.271 0.950 911 2HA GLY 115 2HA GLY 115 -15.584 -4.096 1.344 912 H VAL 116 H VAL 116 -13.151 -2.681 -0.521 913 HA VAL 116 HA VAL 116 -14.837 -2.979 -2.983 914 HB VAL 116 HB VAL 116 -12.967 -0.764 -2.081 915 1HG1 VAL 116 1HG1 VAL 116 -14.856 -1.040 -4.434 916 2HG1 VAL 116 2HG1 VAL 116 -14.161 0.497 -3.922 917 3HG1 VAL 116 3HG1 VAL 116 -13.110 -0.800 -4.489 918 1HG2 VAL 116 1HG2 VAL 116 -15.030 -1.017 -0.694 919 2HG2 VAL 116 2HG2 VAL 116 -15.013 0.491 -1.608 920 3HG2 VAL 116 3HG2 VAL 116 -16.000 -0.862 -2.158 921 H THR 117 H THR 117 -13.799 -3.577 -4.902 922 HA THR 117 HA THR 117 -10.877 -4.227 -4.681 923 HB THR 117 HB THR 117 -13.049 -5.470 -6.402 924 HG1 THR 117 HG1 THR 117 -13.546 -6.237 -4.492 925 1HG2 THR 117 1HG2 THR 117 -11.113 -7.323 -6.247 926 2HG2 THR 117 2HG2 THR 117 -11.133 -6.089 -7.506 927 3HG2 THR 117 3HG2 THR 117 -10.117 -5.877 -6.080 928 H LEU 118 H LEU 118 -9.536 -3.277 -6.189 929 HA LEU 118 HA LEU 118 -10.833 -1.695 -8.381 930 1HB LEU 118 1HB LEU 118 -9.695 -0.253 -6.879 931 2HB LEU 118 2HB LEU 118 -8.345 -1.374 -6.697 932 HG LEU 118 HG LEU 118 -7.722 -0.994 -9.064 933 1HD1 LEU 118 1HD1 LEU 118 -10.305 0.428 -9.009 934 2HD1 LEU 118 2HD1 LEU 118 -9.011 1.311 -9.818 935 3HD1 LEU 118 3HD1 LEU 118 -9.453 -0.306 -10.367 936 1HD2 LEU 118 1HD2 LEU 118 -6.996 0.505 -7.047 937 2HD2 LEU 118 2HD2 LEU 118 -6.662 1.071 -8.683 938 3HD2 LEU 118 3HD2 LEU 118 -8.038 1.719 -7.790 939 H ILE 119 H ILE 119 -10.143 -2.064 -10.493 940 HA ILE 119 HA ILE 119 -7.993 -4.127 -10.871 941 HB ILE 119 HB ILE 119 -10.549 -3.609 -12.426 942 1HG1 ILE 119 1HG1 ILE 119 -9.823 -6.102 -10.891 943 2HG1 ILE 119 2HG1 ILE 119 -10.594 -4.738 -10.081 944 1HG2 ILE 119 1HG2 ILE 119 -8.476 -4.452 -13.702 945 2HG2 ILE 119 2HG2 ILE 119 -8.645 -5.931 -12.755 946 3HG2 ILE 119 3HG2 ILE 119 -9.943 -5.422 -13.834 947 1HD1 ILE 119 1HD1 ILE 119 -11.759 -5.807 -12.637 948 2HD1 ILE 119 2HD1 ILE 119 -12.098 -6.620 -11.109 949 3HD1 ILE 119 3HD1 ILE 119 -12.560 -4.932 -11.332 950 H ARG 120 H ARG 120 -6.294 -2.679 -11.375 951 HA ARG 120 HA ARG 120 -6.751 -0.575 -13.416 952 1HB ARG 120 1HB ARG 120 -5.363 -0.579 -11.136 953 2HB ARG 120 2HB ARG 120 -4.095 -1.207 -12.188 954 1HG ARG 120 1HG ARG 120 -4.027 0.730 -13.490 955 2HG ARG 120 2HG ARG 120 -5.664 1.208 -13.042 956 1HD ARG 120 1HD ARG 120 -4.018 2.656 -11.903 957 2HD ARG 120 2HD ARG 120 -4.853 1.644 -10.708 958 HE ARG 120 HE ARG 120 -2.846 0.038 -11.039 959 1HH1 ARG 120 1HH1 ARG 120 -2.764 3.223 -10.095 960 2HH1 ARG 120 2HH1 ARG 120 -1.065 3.454 -10.341 961 1HH2 ARG 120 1HH2 ARG 120 -0.619 0.420 -11.960 962 2HH2 ARG 120 2HH2 ARG 120 0.149 1.867 -11.397 963 H ARG 121 H ARG 121 -6.328 -0.997 -15.545 964 HA ARG 121 HA ARG 121 -4.716 -3.416 -16.231 965 1HB ARG 121 1HB ARG 121 -6.877 -1.772 -17.517 966 2HB ARG 121 2HB ARG 121 -5.825 -2.756 -18.536 967 1HG ARG 121 1HG ARG 121 -6.382 -4.744 -17.154 968 2HG ARG 121 2HG ARG 121 -7.489 -3.752 -16.205 969 1HD ARG 121 1HD ARG 121 -7.736 -3.998 -19.216 970 2HD ARG 121 2HD ARG 121 -8.578 -5.087 -18.096 971 HE ARG 121 HE ARG 121 -8.878 -2.214 -17.515 972 1HH1 ARG 121 1HH1 ARG 121 -10.101 -2.939 -20.219 973 2HH1 ARG 121 2HH1 ARG 121 -11.730 -3.305 -19.757 974 1HH2 ARG 121 1HH2 ARG 121 -10.989 -3.602 -16.383 975 2HH2 ARG 121 2HH2 ARG 121 -12.233 -3.680 -17.587 976 H SER 122 H SER 122 -2.635 -3.058 -16.885 977 HA SER 122 HA SER 122 -1.971 -0.391 -18.095 978 1HB SER 122 1HB SER 122 -0.373 -2.272 -16.331 979 2HB SER 122 2HB SER 122 0.286 -0.815 -17.069 980 HG SER 122 HG SER 122 -1.886 -1.003 -15.245 981 H LYS 123 H LYS 123 -0.505 -0.433 -19.886 982 HA LYS 123 HA LYS 123 -0.170 -3.135 -21.149 983 1HB LYS 123 1HB LYS 123 -1.618 -1.079 -22.065 984 2HB LYS 123 2HB LYS 123 -0.046 -0.570 -22.684 985 1HG LYS 123 1HG LYS 123 0.231 -2.665 -23.872 986 2HG LYS 123 2HG LYS 123 -1.234 -3.321 -23.141 987 1HD LYS 123 1HD LYS 123 -2.519 -1.437 -24.224 988 2HD LYS 123 2HD LYS 123 -1.043 -1.012 -25.091 989 1HE LYS 123 1HE LYS 123 -1.871 -3.873 -25.221 990 2HE LYS 123 2HE LYS 123 -2.854 -2.711 -26.134 991 1HZ LYS 123 1HZ LYS 123 -0.758 -1.771 -27.010 992 2HZ LYS 123 2HZ LYS 123 0.098 -3.034 -26.261 993 3HZ LYS 123 3HZ LYS 123 -1.013 -3.379 -27.496 994 H ARG 124 H ARG 124 1.866 -3.554 -22.187 995 HA ARG 124 HA ARG 124 4.174 -2.315 -20.924 996 1HB ARG 124 1HB ARG 124 4.012 -4.701 -21.556 997 2HB ARG 124 2HB ARG 124 3.891 -4.242 -23.255 998 1HG ARG 124 1HG ARG 124 6.117 -3.229 -23.174 999 2HG ARG 124 2HG ARG 124 6.240 -3.586 -21.451 1000 1HD ARG 124 1HD ARG 124 6.212 -5.978 -21.880 1001 2HD ARG 124 2HD ARG 124 5.888 -5.704 -23.603 1002 HE ARG 124 HE ARG 124 8.120 -4.450 -23.623 1003 1HH1 ARG 124 1HH1 ARG 124 7.746 -7.563 -22.627 1004 2HH1 ARG 124 2HH1 ARG 124 9.211 -7.667 -21.709 1005 1HH2 ARG 124 1HH2 ARG 124 9.854 -4.262 -21.853 1006 2HH2 ARG 124 2HH2 ARG 124 10.405 -5.797 -21.271 1007 H VAL 125 HN VAL 125 5.407 -0.639 -21.721 1008 HA VAL 125 HA VAL 125 4.525 0.762 -24.143 1009 HB VAL 125 HB VAL 125 6.826 1.197 -22.209 1010 1HG1 VAL 125 1HG1 VAL 125 5.655 2.835 -24.454 1011 2HG1 VAL 125 2HG1 VAL 125 6.474 3.613 -23.100 1012 3HG1 VAL 125 3HG1 VAL 125 7.349 2.472 -24.122 1013 1HG2 VAL 125 1HG2 VAL 125 4.193 1.265 -21.585 1014 2HG2 VAL 125 2HG2 VAL 125 5.376 2.349 -20.853 1015 3HG2 VAL 125 3HG2 VAL 125 4.390 2.903 -22.207 1016 1H1 JN3 130 1H1 JN3 130 -3.791 1.677 -7.427 1017 2H1 JN3 130 2H1 JN3 130 -3.308 3.050 -8.479 1018 1H2 JN3 130 1H2 JN3 130 -1.107 3.039 -7.505 1019 2H2 JN3 130 2H2 JN3 130 -1.530 1.432 -8.215 1020 H3 JN3 130 H3 JN3 130 -2.170 0.570 -5.888 1021 HO3 JN3 130 HO3 JN3 130 -0.005 0.846 -4.786 1022 1H4 JN3 130 1H4 JN3 130 -1.311 3.332 -4.911 1023 2H4 JN3 130 2H4 JN3 130 -1.819 1.983 -3.879 1024 H5 JN3 130 H5 JN3 130 -4.144 2.022 -5.040 1025 1H6 JN3 130 1H6 JN3 130 -3.858 3.381 -2.944 1026 2H6 JN3 130 2H6 JN3 130 -5.011 4.087 -4.066 1027 H7 JN3 130 H7 JN3 130 -3.481 5.802 -3.095 1028 HO7 JN3 130 HO7 JN3 130 -1.577 4.580 -2.803 1029 H8 JN3 130 H8 JN3 130 -4.427 6.168 -5.341 1030 H9 JN3 130 H9 JN3 130 -1.742 4.813 -6.337 1031 1H11 JN3 130 1H11 JN3 130 -4.065 6.027 -7.973 1032 2H11 JN3 130 2H11 JN3 130 -2.697 5.161 -8.675 1033 1H12 JN3 130 1H12 JN3 130 -2.268 7.596 -8.820 1034 2H12 JN3 130 2H12 JN3 130 -1.128 6.902 -7.664 1035 H14 JN3 130 H14 JN3 130 -1.464 7.156 -5.175 1036 1H15 JN3 130 1H15 JN3 130 -2.485 8.227 -3.315 1037 2H15 JN3 130 2H15 JN3 130 -4.008 8.467 -4.164 1038 1H16 JN3 130 1H16 JN3 130 -1.534 10.060 -4.324 1039 2H16 JN3 130 2H16 JN3 130 -3.166 10.446 -4.980 1040 H17 JN3 130 H17 JN3 130 -0.799 9.106 -6.415 1041 1H18 JN3 130 1H18 JN3 130 -4.645 9.148 -6.193 1042 2H18 JN3 130 2H18 JN3 130 -4.456 8.916 -7.947 1043 3H18 JN3 130 3H18 JN3 130 -4.901 7.540 -6.911 1044 1H19 JN3 130 1H19 JN3 130 -5.553 4.491 -5.974 1045 2H19 JN3 130 2H19 JN3 130 -5.306 4.207 -7.714 1046 3H19 JN3 130 3H19 JN3 130 -5.710 2.848 -6.639 1047 H20 JN3 130 H20 JN3 130 -2.882 11.081 -7.338 1048 1H21 JN3 130 1H21 JN3 130 -1.831 11.267 -9.456 1049 2H21 JN3 130 2H21 JN3 130 -0.817 9.850 -9.097 1050 3H21 JN3 130 3H21 JN3 130 -2.582 9.670 -9.230 1051 1H22 JN3 130 1H22 JN3 130 0.008 11.564 -7.756 1052 2H22 JN3 130 2H22 JN3 130 -0.493 11.416 -6.037 1053 1H23 JN3 130 1H23 JN3 130 -2.315 13.229 -6.823 1054 2H23 JN3 130 2H23 JN3 130 -1.096 13.593 -8.018 1055 1H1 JN3 131 1H1 JN3 131 4.842 -4.512 -4.664 1056 2H1 JN3 131 2H1 JN3 131 3.223 -4.611 -3.893 1057 1H2 JN3 131 1H2 JN3 131 2.264 -3.369 -5.719 1058 2H2 JN3 131 2H2 JN3 131 3.108 -4.857 -6.297 1059 H3 JN3 131 H3 JN3 131 5.167 -3.457 -6.902 1060 HO3 JN3 131 HO3 JN3 131 3.742 -1.739 -8.324 1061 1H4 JN3 131 1H4 JN3 131 3.507 -1.078 -5.949 1062 2H4 JN3 131 2H4 JN3 131 5.119 -0.986 -6.683 1063 H5 JN3 131 H5 JN3 131 6.054 -2.396 -4.708 1064 1H6 JN3 131 1H6 JN3 131 6.123 0.109 -4.495 1065 2H6 JN3 131 2H6 JN3 131 5.925 -0.704 -2.950 1066 H7 JN3 131 H7 JN3 131 4.419 1.273 -3.165 1067 HO7 JN3 131 HO7 JN3 131 3.563 1.587 -5.094 1068 H8 JN3 131 H8 JN3 131 3.727 -0.619 -1.745 1069 H9 JN3 131 H9 JN3 131 2.243 -1.614 -4.361 1070 1H11 JN3 131 1H11 JN3 131 2.270 -2.833 -1.521 1071 2H11 JN3 131 2H11 JN3 131 1.521 -3.595 -2.925 1072 1H12 JN3 131 1H12 JN3 131 -0.221 -2.410 -1.627 1073 2H12 JN3 131 2H12 JN3 131 -0.005 -1.565 -3.162 1074 H14 JN3 131 H14 JN3 131 1.297 0.595 -3.298 1075 1H15 JN3 131 1H15 JN3 131 2.272 2.501 -2.268 1076 2H15 JN3 131 2H15 JN3 131 2.718 1.611 -0.815 1077 1H16 JN3 131 1H16 JN3 131 0.107 2.761 -1.550 1078 2H16 JN3 131 2H16 JN3 131 0.636 2.085 0.034 1079 H17 JN3 131 H17 JN3 131 -0.863 0.662 -2.245 1080 1H18 JN3 131 1H18 JN3 131 1.749 0.122 0.535 1081 2H18 JN3 131 2H18 JN3 131 0.891 -1.434 0.633 1082 3H18 JN3 131 3H18 JN3 131 2.480 -1.343 -0.163 1083 1H19 JN3 131 1H19 JN3 131 5.110 -2.214 -1.874 1084 2H19 JN3 131 2H19 JN3 131 4.252 -3.773 -1.855 1085 3H19 JN3 131 3H19 JN3 131 5.823 -3.632 -2.679 1086 H20 JN3 131 H20 JN3 131 -1.024 0.044 0.708 1087 1H21 JN3 131 1H21 JN3 131 -3.211 -0.784 0.308 1088 2H21 JN3 131 2H21 JN3 131 -3.008 -0.525 -1.441 1089 3H21 JN3 131 3H21 JN3 131 -1.982 -1.705 -0.591 1090 1H22 JN3 131 1H22 JN3 131 -3.331 1.477 -0.172 1091 2H22 JN3 131 2H22 JN3 131 -1.881 2.404 -0.689 1092 1H23 JN3 131 1H23 JN3 131 -1.308 2.940 1.501 1093 2H23 JN3 131 2H23 JN3 131 -2.029 1.500 2.176 Start of MODEL 13 1 1H ALA 1 1H ALA 1 7.643 -10.174 -19.416 2 2H ALA 1 2H ALA 1 6.272 -11.061 -18.947 3 3H ALA 1 3H ALA 1 7.728 -11.864 -19.301 4 HA ALA 1 HA ALA 1 7.373 -11.737 -16.896 5 1HB ALA 1 1HB ALA 1 9.588 -10.211 -18.275 6 2HB ALA 1 2HB ALA 1 9.623 -10.518 -16.538 7 3HB ALA 1 3HB ALA 1 9.618 -11.868 -17.672 8 H PHE 2 H PHE 2 7.829 -10.064 -15.046 9 HA PHE 2 HA PHE 2 5.845 -7.941 -15.252 10 1HB PHE 2 1HB PHE 2 7.870 -8.811 -13.170 11 2HB PHE 2 2HB PHE 2 6.707 -7.514 -12.895 12 HD1 PHE 2 HD1 PHE 2 7.128 -11.138 -13.431 13 HD2 PHE 2 HD2 PHE 2 4.324 -7.971 -12.678 14 HE1 PHE 2 HE1 PHE 2 5.391 -12.812 -12.861 15 HE2 PHE 2 HE2 PHE 2 2.587 -9.646 -12.107 16 HZ PHE 2 HZ PHE 2 3.120 -12.067 -12.198 17 H SER 3 H SER 3 9.348 -8.148 -15.501 18 HA SER 3 HA SER 3 10.075 -5.445 -15.048 19 1HB SER 3 1HB SER 3 12.072 -6.066 -16.265 20 2HB SER 3 2HB SER 3 11.530 -7.492 -15.384 21 HG SER 3 HG SER 3 11.656 -7.009 -18.085 22 H GLY 4 H GLY 4 10.116 -3.625 -16.413 23 1HA GLY 4 1HA GLY 4 10.043 -2.942 -18.897 24 2HA GLY 4 2HA GLY 4 8.561 -3.898 -18.951 25 H THR 5 H THR 5 7.941 -1.526 -19.698 26 HA THR 5 HA THR 5 7.221 0.116 -17.299 27 HB THR 5 HB THR 5 7.345 0.780 -20.260 28 HG1 THR 5 HG1 THR 5 9.358 1.203 -19.898 29 1HG2 THR 5 1HG2 THR 5 7.298 3.146 -19.353 30 2HG2 THR 5 2HG2 THR 5 5.787 2.252 -19.180 31 3HG2 THR 5 3HG2 THR 5 6.854 2.456 -17.791 32 H TRP 6 H TRP 6 5.062 0.347 -16.789 33 HA TRP 6 HA TRP 6 3.054 -0.717 -18.751 34 1HB TRP 6 1HB TRP 6 3.172 -0.805 -15.719 35 2HB TRP 6 2HB TRP 6 1.792 -1.356 -16.669 36 HD1 TRP 6 HD1 TRP 6 5.161 -2.413 -15.454 37 HE1 TRP 6 HE1 TRP 6 5.724 -4.762 -16.353 38 HE3 TRP 6 HE3 TRP 6 1.418 -2.966 -18.882 39 HZ2 TRP 6 HZ2 TRP 6 4.719 -6.630 -18.272 40 HZ3 TRP 6 HZ3 TRP 6 1.244 -5.038 -20.230 41 HH2 TRP 6 HH2 TRP 6 2.889 -6.869 -19.930 42 H GLN 7 H GLN 7 1.287 0.614 -19.163 43 HA GLN 7 HA GLN 7 1.136 3.185 -17.619 44 1HB GLN 7 1HB GLN 7 2.010 3.391 -19.929 45 2HB GLN 7 2HB GLN 7 0.556 2.603 -20.542 46 1HG GLN 7 1HG GLN 7 -0.825 4.424 -19.592 47 2HG GLN 7 2HG GLN 7 0.638 5.219 -19.011 48 1HE2 GLN 7 2HE2 GLN 7 -0.452 3.761 -22.140 49 2HE2 GLN 7 1HE2 GLN 7 0.098 5.053 -23.095 50 H VAL 8 H VAL 8 -0.794 3.428 -16.565 51 HA VAL 8 HA VAL 8 -2.932 1.537 -16.701 52 HB VAL 8 HB VAL 8 -4.117 3.360 -15.405 53 1HG1 VAL 8 1HG1 VAL 8 -1.546 2.086 -14.789 54 2HG1 VAL 8 2HG1 VAL 8 -1.849 3.534 -13.829 55 3HG1 VAL 8 3HG1 VAL 8 -3.005 2.201 -13.806 56 1HG2 VAL 8 1HG2 VAL 8 -2.065 4.922 -16.719 57 2HG2 VAL 8 2HG2 VAL 8 -3.454 5.481 -15.787 58 3HG2 VAL 8 3HG2 VAL 8 -1.937 5.102 -14.969 59 H TYR 9 H TYR 9 -4.443 1.308 -18.298 60 HA TYR 9 HA TYR 9 -5.272 3.744 -19.834 61 1HB TYR 9 1HB TYR 9 -5.058 2.489 -21.878 62 2HB TYR 9 2HB TYR 9 -3.564 2.234 -20.977 63 HD1 TYR 9 HD1 TYR 9 -3.365 0.139 -19.521 64 HD2 TYR 9 HD2 TYR 9 -6.442 0.664 -22.473 65 HE1 TYR 9 HE1 TYR 9 -3.775 -2.308 -19.530 66 HE2 TYR 9 HE2 TYR 9 -6.851 -1.781 -22.482 67 HH TYR 9 HH TYR 9 -6.037 -3.789 -20.205 68 H ALA 10 H ALA 10 -6.251 1.332 -17.808 69 HA ALA 10 HA ALA 10 -9.072 1.658 -18.543 70 1HB ALA 10 1HB ALA 10 -7.630 -0.297 -19.841 71 2HB ALA 10 2HB ALA 10 -8.309 -1.190 -18.480 72 3HB ALA 10 3HB ALA 10 -9.376 -0.340 -19.599 73 H GLN 11 H GLN 11 -10.032 1.844 -16.560 74 HA GLN 11 HA GLN 11 -9.314 -0.097 -14.419 75 1HB GLN 11 1HB GLN 11 -9.012 1.801 -12.840 76 2HB GLN 11 2HB GLN 11 -7.840 1.858 -14.156 77 1HG GLN 11 1HG GLN 11 -10.436 3.287 -14.540 78 2HG GLN 11 2HG GLN 11 -9.245 4.017 -13.464 79 1HE2 GLN 11 2HE2 GLN 11 -10.223 4.372 -16.516 80 2HE2 GLN 11 1HE2 GLN 11 -8.748 4.660 -17.306 81 H GLU 12 H GLU 12 -10.933 0.032 -12.602 82 HA GLU 12 HA GLU 12 -13.538 1.252 -13.436 83 1HB GLU 12 1HB GLU 12 -13.354 -1.164 -14.063 84 2HB GLU 12 2HB GLU 12 -13.086 -1.552 -12.363 85 1HG GLU 12 1HG GLU 12 -15.273 -0.654 -11.768 86 2HG GLU 12 2HG GLU 12 -15.540 -0.127 -13.431 87 H ASN 13 H ASN 13 -14.943 1.734 -11.631 88 HA ASN 13 HA ASN 13 -15.306 2.572 -9.445 89 1HB ASN 13 1HB ASN 13 -13.829 -0.043 -9.011 90 2HB ASN 13 2HB ASN 13 -14.665 0.833 -7.726 91 1HD2 ASN 13 2HD2 ASN 13 -15.201 -1.823 -9.389 92 2HD2 ASN 13 1HD2 ASN 13 -16.856 -1.693 -9.745 93 H TYR 14 H TYR 14 -12.919 3.597 -10.771 94 HA TYR 14 HA TYR 14 -10.614 3.525 -9.049 95 1HB TYR 14 1HB TYR 14 -10.920 4.247 -11.518 96 2HB TYR 14 2HB TYR 14 -11.434 5.800 -10.860 97 HD1 TYR 14 HD1 TYR 14 -8.623 3.401 -11.096 98 HD2 TYR 14 HD2 TYR 14 -9.869 7.305 -9.810 99 HE1 TYR 14 HE1 TYR 14 -6.252 4.049 -10.768 100 HE2 TYR 14 HE2 TYR 14 -7.497 7.953 -9.482 101 HH TYR 14 HH TYR 14 -5.067 6.735 -10.757 102 H GLU 15 H GLU 15 -13.220 5.961 -9.423 103 HA GLU 15 HA GLU 15 -12.319 7.740 -7.380 104 1HB GLU 15 1HB GLU 15 -15.007 7.079 -8.605 105 2HB GLU 15 2HB GLU 15 -14.801 8.393 -7.448 106 1HG GLU 15 1HG GLU 15 -14.392 9.606 -9.347 107 2HG GLU 15 2HG GLU 15 -12.765 8.959 -9.134 108 H GLU 16 H GLU 16 -14.684 5.053 -7.244 109 HA GLU 16 HA GLU 16 -15.461 5.283 -4.541 110 1HB GLU 16 1HB GLU 16 -15.102 2.979 -6.463 111 2HB GLU 16 2HB GLU 16 -15.754 2.727 -4.843 112 1HG GLU 16 1HG GLU 16 -17.493 4.462 -5.326 113 2HG GLU 16 2HG GLU 16 -16.889 4.551 -6.981 114 H PHE 17 H PHE 17 -12.664 3.553 -5.940 115 HA PHE 17 HA PHE 17 -11.670 2.320 -3.602 116 1HB PHE 17 1HB PHE 17 -10.919 2.086 -6.009 117 2HB PHE 17 2HB PHE 17 -10.069 3.620 -5.827 118 HD1 PHE 17 HD1 PHE 17 -10.275 0.126 -4.586 119 HD2 PHE 17 HD2 PHE 17 -8.004 3.772 -4.623 120 HE1 PHE 17 HE1 PHE 17 -8.361 -1.056 -3.541 121 HE2 PHE 17 HE2 PHE 17 -6.089 2.590 -3.579 122 HZ PHE 17 HZ PHE 17 -6.269 0.176 -3.037 123 H LEU 18 H LEU 18 -10.599 5.467 -4.964 124 HA LEU 18 HA LEU 18 -8.919 6.301 -2.884 125 1HB LEU 18 1HB LEU 18 -10.376 7.417 -5.123 126 2HB LEU 18 2HB LEU 18 -10.365 8.559 -3.779 127 HG LEU 18 HG LEU 18 -8.262 8.037 -5.590 128 1HD1 LEU 18 1HD1 LEU 18 -8.273 9.473 -2.916 129 2HD1 LEU 18 2HD1 LEU 18 -7.072 9.694 -4.189 130 3HD1 LEU 18 3HD1 LEU 18 -8.748 10.174 -4.463 131 1HD2 LEU 18 1HD2 LEU 18 -7.733 6.042 -4.206 132 2HD2 LEU 18 2HD2 LEU 18 -6.465 7.263 -4.096 133 3HD2 LEU 18 3HD2 LEU 18 -7.626 7.075 -2.780 134 H LYS 19 H LYS 19 -12.466 6.556 -3.093 135 HA LYS 19 HA LYS 19 -12.908 8.154 -0.777 136 1HB LYS 19 1HB LYS 19 -14.479 6.007 -2.221 137 2HB LYS 19 2HB LYS 19 -15.163 6.921 -0.876 138 1HG LYS 19 1HG LYS 19 -14.684 9.032 -2.090 139 2HG LYS 19 2HG LYS 19 -14.064 8.093 -3.449 140 1HD LYS 19 1HD LYS 19 -16.269 6.986 -3.676 141 2HD LYS 19 2HD LYS 19 -16.886 7.967 -2.346 142 1HE LYS 19 1HE LYS 19 -17.530 9.366 -4.058 143 2HE LYS 19 2HE LYS 19 -15.845 9.912 -3.959 144 1HZ LYS 19 1HZ LYS 19 -15.287 8.044 -5.492 145 2HZ LYS 19 2HZ LYS 19 -16.951 7.798 -5.726 146 3HZ LYS 19 3HZ LYS 19 -16.237 9.262 -6.199 147 H ALA 20 H ALA 20 -12.521 4.632 -1.148 148 HA ALA 20 HA ALA 20 -13.111 3.993 1.614 149 1HB ALA 20 1HB ALA 20 -13.256 2.455 -0.352 150 2HB ALA 20 2HB ALA 20 -11.498 2.502 -0.480 151 3HB ALA 20 3HB ALA 20 -12.259 1.796 0.945 152 H LEU 21 H LEU 21 -10.093 4.545 -0.208 153 HA LEU 21 HA LEU 21 -8.202 3.851 1.767 154 1HB LEU 21 1HB LEU 21 -8.268 5.003 -0.759 155 2HB LEU 21 2HB LEU 21 -7.579 6.279 0.244 156 HG LEU 21 HG LEU 21 -5.970 4.571 1.171 157 1HD1 LEU 21 1HD1 LEU 21 -7.351 2.912 -0.939 158 2HD1 LEU 21 2HD1 LEU 21 -5.704 2.549 -0.423 159 3HD1 LEU 21 3HD1 LEU 21 -7.026 2.497 0.744 160 1HD2 LEU 21 1HD2 LEU 21 -6.037 5.301 -1.758 161 2HD2 LEU 21 2HD2 LEU 21 -5.058 6.006 -0.471 162 3HD2 LEU 21 3HD2 LEU 21 -4.685 4.392 -1.079 163 H ALA 22 H ALA 22 -10.309 6.650 1.562 164 HA ALA 22 HA ALA 22 -10.842 8.101 3.410 165 1HB ALA 22 1HB ALA 22 -9.421 6.133 4.590 166 2HB ALA 22 2HB ALA 22 -8.261 7.452 4.752 167 3HB ALA 22 3HB ALA 22 -9.876 7.608 5.444 168 H LEU 23 H LEU 23 -8.808 8.378 1.029 169 HA LEU 23 HA LEU 23 -6.828 10.309 1.819 170 1HB LEU 23 1HB LEU 23 -8.150 9.374 -0.709 171 2HB LEU 23 2HB LEU 23 -7.117 10.803 -0.767 172 HG LEU 23 HG LEU 23 -6.285 8.109 0.350 173 1HD1 LEU 23 1HD1 LEU 23 -6.389 9.139 -2.354 174 2HD1 LEU 23 2HD1 LEU 23 -4.718 8.841 -1.877 175 3HD1 LEU 23 3HD1 LEU 23 -5.904 7.539 -1.796 176 1HD2 LEU 23 1HD2 LEU 23 -4.902 10.773 -0.006 177 2HD2 LEU 23 2HD2 LEU 23 -5.013 9.784 1.450 178 3HD2 LEU 23 3HD2 LEU 23 -3.988 9.268 0.111 179 HA PRO 24 HA PRO 24 -9.100 14.058 1.983 180 1HB PRO 24 1HB PRO 24 -7.540 15.809 0.572 181 2HB PRO 24 2HB PRO 24 -7.090 15.189 2.174 182 1HG PRO 24 1HG PRO 24 -6.134 14.354 -0.516 183 2HG PRO 24 2HG PRO 24 -5.241 14.499 1.006 184 1HD PRO 24 1HD PRO 24 -6.109 12.121 -0.028 185 2HD PRO 24 2HD PRO 24 -5.841 12.407 1.706 186 H GLU 25 H GLU 25 -10.881 14.811 0.872 187 HA GLU 25 HA GLU 25 -11.686 13.900 -1.657 188 1HB GLU 25 1HB GLU 25 -12.935 15.137 0.238 189 2HB GLU 25 2HB GLU 25 -12.376 16.620 -0.535 190 1HG GLU 25 1HG GLU 25 -14.538 16.177 -1.456 191 2HG GLU 25 2HG GLU 25 -13.377 15.714 -2.701 192 H ASP 26 H ASP 26 -10.106 17.019 -0.872 193 HA ASP 26 HA ASP 26 -10.012 18.211 -3.392 194 1HB ASP 26 1HB ASP 26 -9.143 18.957 -1.077 195 2HB ASP 26 2HB ASP 26 -7.656 18.107 -1.500 196 H LEU 27 H LEU 27 -7.981 15.577 -2.147 197 HA LEU 27 HA LEU 27 -6.229 15.541 -4.489 198 1HB LEU 27 1HB LEU 27 -5.397 14.847 -2.334 199 2HB LEU 27 2HB LEU 27 -6.725 13.703 -2.130 200 HG LEU 27 HG LEU 27 -5.901 12.401 -4.060 201 1HD1 LEU 27 1HD1 LEU 27 -4.849 14.377 -5.209 202 2HD1 LEU 27 2HD1 LEU 27 -3.544 14.307 -4.025 203 3HD1 LEU 27 3HD1 LEU 27 -3.801 12.960 -5.134 204 1HD2 LEU 27 1HD2 LEU 27 -4.083 12.989 -1.735 205 2HD2 LEU 27 2HD2 LEU 27 -5.041 11.543 -2.056 206 3HD2 LEU 27 3HD2 LEU 27 -3.571 11.850 -2.979 207 H ILE 28 H ILE 28 -9.120 13.804 -3.407 208 HA ILE 28 HA ILE 28 -9.079 11.666 -5.298 209 HB ILE 28 HB ILE 28 -11.344 13.181 -3.958 210 1HG1 ILE 28 1HG1 ILE 28 -9.971 10.574 -3.226 211 2HG1 ILE 28 2HG1 ILE 28 -9.647 12.126 -2.452 212 1HG2 ILE 28 1HG2 ILE 28 -11.281 10.534 -5.428 213 2HG2 ILE 28 2HG2 ILE 28 -12.584 11.001 -4.335 214 3HG2 ILE 28 3HG2 ILE 28 -12.278 11.940 -5.796 215 1HD1 ILE 28 1HD1 ILE 28 -12.506 11.472 -2.587 216 2HD1 ILE 28 2HD1 ILE 28 -11.570 10.317 -1.639 217 3HD1 ILE 28 3HD1 ILE 28 -11.544 12.030 -1.218 218 H LYS 29 H LYS 29 -10.800 14.813 -5.456 219 HA LYS 29 HA LYS 29 -11.856 14.515 -8.078 220 1HB LYS 29 1HB LYS 29 -10.907 17.014 -6.636 221 2HB LYS 29 2HB LYS 29 -12.100 16.955 -7.935 222 1HG LYS 29 1HG LYS 29 -13.252 15.197 -6.282 223 2HG LYS 29 2HG LYS 29 -12.365 16.132 -5.078 224 1HD LYS 29 1HD LYS 29 -13.354 18.221 -6.105 225 2HD LYS 29 2HD LYS 29 -14.385 17.173 -7.079 226 1HE LYS 29 1HE LYS 29 -14.349 16.592 -4.160 227 2HE LYS 29 2HE LYS 29 -15.153 18.096 -4.653 228 1HZ LYS 29 1HZ LYS 29 -15.608 15.487 -5.993 229 2HZ LYS 29 2HZ LYS 29 -16.596 16.070 -4.741 230 3HZ LYS 29 3HZ LYS 29 -16.486 16.923 -6.206 231 H MET 30 H MET 30 -8.627 15.339 -6.979 232 HA MET 30 HA MET 30 -7.784 16.242 -9.672 233 1HB MET 30 1HB MET 30 -7.126 17.017 -7.183 234 2HB MET 30 2HB MET 30 -5.889 15.780 -7.414 235 1HG MET 30 1HG MET 30 -4.976 16.882 -9.302 236 2HG MET 30 2HG MET 30 -6.404 17.898 -9.502 237 1HE MET 30 1HE MET 30 -7.261 19.415 -8.041 238 2HE MET 30 2HE MET 30 -6.909 19.100 -6.343 239 3HE MET 30 3HE MET 30 -6.326 20.582 -7.096 240 H ALA 31 H ALA 31 -7.707 13.383 -7.668 241 HA ALA 31 HA ALA 31 -5.697 12.085 -9.452 242 1HB ALA 31 1HB ALA 31 -6.721 11.780 -6.678 243 2HB ALA 31 2HB ALA 31 -6.274 10.286 -7.502 244 3HB ALA 31 3HB ALA 31 -5.083 11.571 -7.299 245 H ARG 32 H ARG 32 -9.042 12.422 -9.168 246 HA ARG 32 HA ARG 32 -9.927 9.740 -9.777 247 1HB ARG 32 1HB ARG 32 -12.041 10.882 -10.223 248 2HB ARG 32 2HB ARG 32 -11.279 11.621 -8.814 249 1HG ARG 32 1HG ARG 32 -11.366 13.610 -9.859 250 2HG ARG 32 2HG ARG 32 -10.256 12.979 -11.077 251 1HD ARG 32 1HD ARG 32 -11.980 13.331 -12.537 252 2HD ARG 32 2HD ARG 32 -12.679 11.860 -11.831 253 HE ARG 32 HE ARG 32 -13.257 14.608 -10.787 254 1HH1 ARG 32 1HH1 ARG 32 -13.769 11.581 -9.721 255 2HH1 ARG 32 2HH1 ARG 32 -15.496 11.584 -9.842 256 1HH2 ARG 32 1HH2 ARG 32 -15.626 14.518 -11.688 257 2HH2 ARG 32 2HH2 ARG 32 -16.548 13.246 -10.956 258 H ASP 33 H ASP 33 -8.110 11.888 -11.603 259 HA ASP 33 HA ASP 33 -8.786 10.427 -14.105 260 1HB ASP 33 1HB ASP 33 -9.169 12.491 -15.305 261 2HB ASP 33 2HB ASP 33 -10.176 12.534 -13.857 262 H ILE 34 H ILE 34 -6.458 10.190 -12.478 263 HA ILE 34 HA ILE 34 -4.394 11.572 -14.165 264 HB ILE 34 HB ILE 34 -4.568 10.853 -11.239 265 1HG1 ILE 34 1HG1 ILE 34 -3.796 13.374 -12.744 266 2HG1 ILE 34 2HG1 ILE 34 -5.356 13.077 -11.976 267 1HG2 ILE 34 1HG2 ILE 34 -2.147 11.102 -12.977 268 2HG2 ILE 34 2HG2 ILE 34 -2.082 11.813 -11.364 269 3HG2 ILE 34 3HG2 ILE 34 -2.407 10.090 -11.556 270 1HD1 ILE 34 1HD1 ILE 34 -3.810 12.583 -9.860 271 2HD1 ILE 34 2HD1 ILE 34 -2.703 13.651 -10.724 272 3HD1 ILE 34 3HD1 ILE 34 -4.306 14.226 -10.267 273 H LYS 35 H LYS 35 -3.677 10.021 -15.601 274 HA LYS 35 HA LYS 35 -3.534 7.180 -14.786 275 1HB LYS 35 1HB LYS 35 -3.193 8.784 -17.320 276 2HB LYS 35 2HB LYS 35 -2.727 7.084 -17.262 277 1HG LYS 35 1HG LYS 35 -4.876 6.395 -17.326 278 2HG LYS 35 2HG LYS 35 -5.354 7.542 -16.073 279 1HD LYS 35 1HD LYS 35 -4.758 8.550 -18.837 280 2HD LYS 35 2HD LYS 35 -6.320 7.798 -18.509 281 1HE LYS 35 1HE LYS 35 -5.376 9.842 -16.546 282 2HE LYS 35 2HE LYS 35 -5.936 10.426 -18.125 283 1HZ LYS 35 1HZ LYS 35 -7.900 8.959 -17.848 284 2HZ LYS 35 2HZ LYS 35 -7.399 8.639 -16.256 285 3HZ LYS 35 3HZ LYS 35 -7.835 10.218 -16.712 286 HA PRO 36 HA PRO 36 0.768 8.465 -13.812 287 1HB PRO 36 1HB PRO 36 1.035 6.782 -11.671 288 2HB PRO 36 2HB PRO 36 0.316 8.399 -11.543 289 1HG PRO 36 1HG PRO 36 -1.013 5.742 -11.682 290 2HG PRO 36 2HG PRO 36 -1.446 7.173 -10.735 291 1HD PRO 36 1HD PRO 36 -2.707 6.443 -13.049 292 2HD PRO 36 2HD PRO 36 -2.617 8.116 -12.457 293 H ILE 37 H ILE 37 2.654 7.298 -14.384 294 HA ILE 37 HA ILE 37 2.190 4.698 -15.722 295 HB ILE 37 HB ILE 37 4.585 6.555 -15.522 296 1HG1 ILE 37 1HG1 ILE 37 3.026 6.180 -18.032 297 2HG1 ILE 37 2HG1 ILE 37 2.249 7.112 -16.752 298 1HG2 ILE 37 1HG2 ILE 37 4.089 3.955 -16.918 299 2HG2 ILE 37 2HG2 ILE 37 5.048 5.176 -17.754 300 3HG2 ILE 37 3HG2 ILE 37 5.571 4.567 -16.182 301 1HD1 ILE 37 1HD1 ILE 37 4.714 8.217 -16.677 302 2HD1 ILE 37 2HD1 ILE 37 4.645 7.766 -18.380 303 3HD1 ILE 37 3HD1 ILE 37 3.419 8.836 -17.702 304 H VAL 38 H VAL 38 3.750 2.903 -15.311 305 HA VAL 38 HA VAL 38 4.980 2.958 -12.584 306 HB VAL 38 HB VAL 38 3.079 0.908 -13.765 307 1HG1 VAL 38 1HG1 VAL 38 4.865 0.855 -11.336 308 2HG1 VAL 38 2HG1 VAL 38 3.371 -0.081 -11.381 309 3HG1 VAL 38 3HG1 VAL 38 4.641 -0.390 -12.565 310 1HG2 VAL 38 1HG2 VAL 38 2.911 2.762 -11.368 311 2HG2 VAL 38 2HG2 VAL 38 1.956 2.874 -12.847 312 3HG2 VAL 38 3HG2 VAL 38 1.728 1.512 -11.750 313 H GLU 39 H GLU 39 7.099 2.382 -12.842 314 HA GLU 39 HA GLU 39 7.859 0.692 -15.185 315 1HB GLU 39 1HB GLU 39 8.849 2.986 -14.737 316 2HB GLU 39 2HB GLU 39 9.592 2.304 -13.288 317 1HG GLU 39 1HG GLU 39 10.831 0.692 -14.614 318 2HG GLU 39 2HG GLU 39 9.995 1.202 -16.082 319 H ILE 40 H ILE 40 8.661 -1.362 -14.845 320 HA ILE 40 HA ILE 40 9.193 -2.185 -12.007 321 HB ILE 40 HB ILE 40 8.094 -3.788 -14.341 322 1HG1 ILE 40 1HG1 ILE 40 6.673 -2.716 -11.882 323 2HG1 ILE 40 2HG1 ILE 40 6.564 -1.992 -13.487 324 1HG2 ILE 40 1HG2 ILE 40 8.542 -4.411 -11.411 325 2HG2 ILE 40 2HG2 ILE 40 7.495 -5.379 -12.450 326 3HG2 ILE 40 3HG2 ILE 40 9.217 -5.253 -12.806 327 1HD1 ILE 40 1HD1 ILE 40 5.917 -4.456 -14.206 328 2HD1 ILE 40 2HD1 ILE 40 5.464 -4.602 -12.507 329 3HD1 ILE 40 3HD1 ILE 40 4.700 -3.378 -13.522 330 H GLN 41 H GLN 41 11.218 -3.030 -11.651 331 HA GLN 41 HA GLN 41 12.776 -4.040 -14.002 332 1HB GLN 41 1HB GLN 41 13.393 -1.711 -13.519 333 2HB GLN 41 2HB GLN 41 13.667 -2.119 -11.826 334 1HG GLN 41 1HG GLN 41 15.479 -3.638 -12.447 335 2HG GLN 41 2HG GLN 41 15.175 -3.336 -14.158 336 1HE2 GLN 41 2HE2 GLN 41 17.042 -2.306 -11.511 337 2HE2 GLN 41 1HE2 GLN 41 17.547 -0.810 -12.135 338 H GLN 42 H GLN 42 11.930 -6.100 -12.848 339 HA GLN 42 HA GLN 42 13.054 -6.785 -10.250 340 1HB GLN 42 1HB GLN 42 12.137 -9.041 -10.910 341 2HB GLN 42 2HB GLN 42 10.962 -7.733 -11.043 342 1HG GLN 42 1HG GLN 42 10.797 -7.966 -13.288 343 2HG GLN 42 2HG GLN 42 12.546 -8.096 -13.482 344 1HE2 GLN 42 2HE2 GLN 42 13.095 -10.086 -14.370 345 2HE2 GLN 42 1HE2 GLN 42 12.319 -11.556 -14.030 346 H LYS 43 H LYS 43 14.573 -8.665 -9.995 347 HA LYS 43 HA LYS 43 16.284 -9.353 -12.294 348 1HB LYS 43 1HB LYS 43 17.062 -7.494 -10.051 349 2HB LYS 43 2HB LYS 43 18.289 -8.448 -10.887 350 1HG LYS 43 1HG LYS 43 17.360 -7.524 -13.065 351 2HG LYS 43 2HG LYS 43 16.409 -6.403 -12.089 352 1HD LYS 43 1HD LYS 43 18.502 -5.578 -11.035 353 2HD LYS 43 2HD LYS 43 19.431 -6.654 -12.079 354 1HE LYS 43 1HE LYS 43 18.987 -5.402 -13.995 355 2HE LYS 43 2HE LYS 43 17.474 -4.747 -13.337 356 1HZ LYS 43 1HZ LYS 43 18.868 -3.633 -11.609 357 2HZ LYS 43 2HZ LYS 43 20.243 -4.077 -12.503 358 3HZ LYS 43 3HZ LYS 43 19.093 -3.033 -13.183 359 H GLY 44 H GLY 44 14.752 -11.082 -10.757 360 1HA GLY 44 1HA GLY 44 15.656 -13.316 -10.072 361 2HA GLY 44 2HA GLY 44 16.816 -12.442 -9.070 362 H ASP 45 H ASP 45 16.204 -11.841 -7.010 363 HA ASP 45 HA ASP 45 13.415 -12.571 -6.191 364 1HB ASP 45 1HB ASP 45 16.133 -12.627 -4.895 365 2HB ASP 45 2HB ASP 45 14.681 -12.597 -3.892 366 H ASP 46 H ASP 46 15.226 -9.901 -6.942 367 HA ASP 46 HA ASP 46 14.018 -8.204 -4.791 368 1HB ASP 46 1HB ASP 46 16.496 -8.221 -5.140 369 2HB ASP 46 2HB ASP 46 16.237 -7.632 -6.783 370 H PHE 47 H PHE 47 12.668 -6.473 -5.388 371 HA PHE 47 HA PHE 47 12.032 -6.219 -8.310 372 1HB PHE 47 1HB PHE 47 10.381 -6.761 -5.904 373 2HB PHE 47 2HB PHE 47 9.699 -5.605 -7.047 374 HD1 PHE 47 HD1 PHE 47 11.568 -8.865 -7.168 375 HD2 PHE 47 HD2 PHE 47 8.336 -6.490 -8.706 376 HE1 PHE 47 HE1 PHE 47 10.910 -10.730 -8.666 377 HE2 PHE 47 HE2 PHE 47 7.678 -8.355 -10.202 378 HZ PHE 47 HZ PHE 47 8.965 -10.475 -10.183 379 H VAL 48 H VAL 48 11.721 -4.091 -9.040 380 HA VAL 48 HA VAL 48 11.937 -1.908 -6.995 381 HB VAL 48 HB VAL 48 13.363 -2.171 -9.662 382 1HG1 VAL 48 1HG1 VAL 48 13.302 0.001 -7.558 383 2HG1 VAL 48 2HG1 VAL 48 14.604 -0.132 -8.740 384 3HG1 VAL 48 3HG1 VAL 48 12.949 0.150 -9.279 385 1HG2 VAL 48 1HG2 VAL 48 14.239 -3.647 -7.857 386 2HG2 VAL 48 2HG2 VAL 48 15.390 -2.385 -8.296 387 3HG2 VAL 48 3HG2 VAL 48 14.434 -2.232 -6.822 388 H VAL 49 H VAL 49 9.888 -1.010 -7.158 389 HA VAL 49 HA VAL 49 8.778 -0.529 -9.898 390 HB VAL 49 HB VAL 49 7.509 -0.631 -7.142 391 1HG1 VAL 49 1HG1 VAL 49 6.513 0.175 -9.825 392 2HG1 VAL 49 2HG1 VAL 49 5.451 -0.861 -8.872 393 3HG1 VAL 49 3HG1 VAL 49 5.980 0.693 -8.226 394 1HG2 VAL 49 1HG2 VAL 49 8.085 -2.621 -9.233 395 2HG2 VAL 49 2HG2 VAL 49 7.689 -2.863 -7.531 396 3HG2 VAL 49 3HG2 VAL 49 6.401 -2.613 -8.709 397 H THR 50 H THR 50 8.510 1.582 -10.572 398 HA THR 50 HA THR 50 8.807 3.756 -8.527 399 HB THR 50 HB THR 50 10.031 3.571 -11.300 400 HG1 THR 50 HG1 THR 50 11.348 2.394 -10.125 401 1HG2 THR 50 1HG2 THR 50 11.329 5.602 -10.245 402 2HG2 THR 50 2HG2 THR 50 9.740 5.858 -10.969 403 3HG2 THR 50 3HG2 THR 50 9.900 5.727 -9.218 404 H SER 51 H SER 51 6.769 4.672 -8.530 405 HA SER 51 HA SER 51 5.225 4.858 -11.053 406 1HB SER 51 1HB SER 51 4.623 5.633 -8.180 407 2HB SER 51 2HB SER 51 3.449 5.611 -9.493 408 HG SER 51 HG SER 51 3.290 3.536 -9.249 409 H LYS 52 H LYS 52 5.066 6.752 -12.212 410 HA LYS 52 HA LYS 52 6.074 9.270 -10.925 411 1HB LYS 52 1HB LYS 52 6.440 8.180 -13.734 412 2HB LYS 52 2HB LYS 52 6.943 9.793 -13.229 413 1HG LYS 52 1HG LYS 52 8.403 8.794 -11.502 414 2HG LYS 52 2HG LYS 52 7.915 7.183 -12.029 415 1HD LYS 52 1HD LYS 52 8.828 7.634 -14.275 416 2HD LYS 52 2HD LYS 52 9.314 9.248 -13.755 417 1HE LYS 52 1HE LYS 52 11.302 8.228 -13.245 418 2HE LYS 52 2HE LYS 52 10.442 7.665 -11.798 419 1HZ LYS 52 1HZ LYS 52 10.486 6.264 -14.420 420 2HZ LYS 52 2HZ LYS 52 11.390 5.808 -13.056 421 3HZ LYS 52 3HZ LYS 52 9.696 5.728 -13.015 422 H THR 53 H THR 53 4.572 10.898 -10.966 423 HA THR 53 HA THR 53 2.235 10.610 -12.821 424 HB THR 53 HB THR 53 1.628 12.477 -10.846 425 HG1 THR 53 HG1 THR 53 2.289 11.237 -8.951 426 1HG2 THR 53 1HG2 THR 53 0.878 9.901 -9.909 427 2HG2 THR 53 2HG2 THR 53 -0.105 11.051 -10.814 428 3HG2 THR 53 3HG2 THR 53 0.851 9.842 -11.671 429 HA PRO 54 HA PRO 54 3.206 14.423 -14.760 430 1HB PRO 54 1HB PRO 54 0.783 15.681 -14.925 431 2HB PRO 54 2HB PRO 54 1.205 14.267 -15.911 432 1HG PRO 54 1HG PRO 54 -0.455 14.430 -13.449 433 2HG PRO 54 2HG PRO 54 -0.670 13.428 -14.894 434 1HD PRO 54 1HD PRO 54 0.361 12.498 -12.537 435 2HD PRO 54 2HD PRO 54 0.734 11.795 -14.127 436 H ARG 55 H ARG 55 2.016 14.394 -11.571 437 HA ARG 55 HA ARG 55 2.631 17.312 -11.231 438 1HB ARG 55 1HB ARG 55 0.291 16.629 -10.801 439 2HB ARG 55 2HB ARG 55 0.858 15.441 -9.626 440 1HG ARG 55 1HG ARG 55 1.982 17.383 -8.406 441 2HG ARG 55 2HG ARG 55 1.052 18.455 -9.454 442 1HD ARG 55 1HD ARG 55 -0.268 16.272 -7.815 443 2HD ARG 55 2HD ARG 55 -0.039 17.922 -7.201 444 HE ARG 55 HE ARG 55 -1.282 18.684 -9.292 445 1HH1 ARG 55 1HH1 ARG 55 -2.558 16.579 -7.152 446 2HH1 ARG 55 2HH1 ARG 55 -3.687 15.824 -8.228 447 1HH2 ARG 55 1HH2 ARG 55 -2.323 17.244 -11.083 448 2HH2 ARG 55 2HH2 ARG 55 -3.553 16.200 -10.453 449 H GLN 56 H GLN 56 3.412 14.058 -10.279 450 HA GLN 56 HA GLN 56 5.735 15.003 -8.755 451 1HB GLN 56 1HB GLN 56 4.978 13.982 -6.642 452 2HB GLN 56 2HB GLN 56 3.832 15.215 -7.170 453 1HG GLN 56 1HG GLN 56 2.313 13.562 -8.022 454 2HG GLN 56 2HG GLN 56 3.506 12.277 -7.823 455 1HE2 GLN 56 2HE2 GLN 56 3.549 11.205 -5.816 456 2HE2 GLN 56 1HE2 GLN 56 2.668 11.700 -4.451 457 H THR 57 H THR 57 7.126 13.158 -8.121 458 HA THR 57 HA THR 57 6.436 10.604 -9.533 459 HB THR 57 HB THR 57 8.972 10.619 -10.051 460 HG1 THR 57 HG1 THR 57 9.720 12.235 -8.820 461 1HG2 THR 57 1HG2 THR 57 7.274 12.786 -11.315 462 2HG2 THR 57 2HG2 THR 57 8.628 11.934 -12.057 463 3HG2 THR 57 3HG2 THR 57 7.133 11.070 -11.697 464 H VAL 58 H VAL 58 6.713 8.826 -8.230 465 HA VAL 58 HA VAL 58 8.443 9.122 -5.795 466 HB VAL 58 HB VAL 58 5.781 7.697 -6.109 467 1HG1 VAL 58 1HG1 VAL 58 7.365 6.679 -4.460 468 2HG1 VAL 58 2HG1 VAL 58 7.439 8.231 -3.627 469 3HG1 VAL 58 3HG1 VAL 58 5.917 7.343 -3.702 470 1HG2 VAL 58 1HG2 VAL 58 6.582 10.339 -4.871 471 2HG2 VAL 58 2HG2 VAL 58 5.363 10.051 -6.113 472 3HG2 VAL 58 3HG2 VAL 58 5.077 9.521 -4.455 473 H THR 59 H THR 59 9.989 7.538 -5.662 474 HA THR 59 HA THR 59 9.675 5.122 -7.411 475 HB THR 59 HB THR 59 12.150 6.459 -6.267 476 HG1 THR 59 HG1 THR 59 11.831 7.782 -7.847 477 1HG2 THR 59 1HG2 THR 59 12.257 4.663 -8.627 478 2HG2 THR 59 2HG2 THR 59 13.402 4.847 -7.298 479 3HG2 THR 59 3HG2 THR 59 11.941 3.886 -7.075 480 H ASN 60 H ASN 60 9.839 3.095 -6.443 481 HA ASN 60 HA ASN 60 10.576 2.990 -3.542 482 1HB ASN 60 1HB ASN 60 8.204 1.703 -4.936 483 2HB ASN 60 2HB ASN 60 8.622 1.489 -3.234 484 1HD2 ASN 60 2HD2 ASN 60 9.343 4.149 -2.549 485 2HD2 ASN 60 1HD2 ASN 60 7.976 5.144 -2.691 486 H SER 61 H SER 61 11.475 0.945 -2.892 487 HA SER 61 HA SER 61 11.891 -1.115 -4.997 488 1HB SER 61 1HB SER 61 13.716 0.540 -5.205 489 2HB SER 61 2HB SER 61 14.096 0.338 -3.497 490 HG SER 61 HG SER 61 15.208 -1.350 -4.034 491 H PHE 62 H PHE 62 11.745 -3.126 -4.066 492 HA PHE 62 HA PHE 62 12.471 -3.451 -1.190 493 1HB PHE 62 1HB PHE 62 10.292 -4.620 -0.850 494 2HB PHE 62 2HB PHE 62 10.075 -2.929 -1.303 495 HD1 PHE 62 HD1 PHE 62 9.302 -2.309 -3.551 496 HD2 PHE 62 HD2 PHE 62 9.740 -6.422 -2.393 497 HE1 PHE 62 HE1 PHE 62 7.973 -3.006 -5.526 498 HE2 PHE 62 HE2 PHE 62 8.412 -7.119 -4.368 499 HZ PHE 62 HZ PHE 62 7.527 -5.412 -5.933 500 H THR 63 H THR 63 12.392 -5.894 -0.638 501 HA THR 63 HA THR 63 13.293 -7.478 -3.023 502 HB THR 63 HB THR 63 14.165 -7.613 -0.117 503 HG1 THR 63 HG1 THR 63 15.217 -5.911 -0.796 504 1HG2 THR 63 1HG2 THR 63 16.062 -8.960 -1.263 505 2HG2 THR 63 2HG2 THR 63 14.514 -9.763 -1.008 506 3HG2 THR 63 3HG2 THR 63 14.928 -9.134 -2.602 507 H LEU 64 H LEU 64 12.396 -9.536 -3.252 508 HA LEU 64 HA LEU 64 9.965 -10.151 -1.781 509 1HB LEU 64 1HB LEU 64 11.680 -11.599 -3.818 510 2HB LEU 64 2HB LEU 64 10.151 -12.244 -3.221 511 HG LEU 64 HG LEU 64 10.235 -9.434 -4.265 512 1HD1 LEU 64 1HD1 LEU 64 10.477 -11.964 -5.850 513 2HD1 LEU 64 2HD1 LEU 64 9.467 -10.666 -6.486 514 3HD1 LEU 64 3HD1 LEU 64 11.178 -10.376 -6.164 515 1HD2 LEU 64 1HD2 LEU 64 8.237 -11.629 -3.838 516 2HD2 LEU 64 2HD2 LEU 64 8.125 -9.920 -3.419 517 3HD2 LEU 64 3HD2 LEU 64 7.919 -10.433 -5.094 518 H GLY 65 H GLY 65 9.837 -11.301 0.108 519 1HA GLY 65 1HA GLY 65 10.393 -13.219 1.489 520 2HA GLY 65 2HA GLY 65 11.992 -13.252 0.744 521 H LYS 66 H LYS 66 11.221 -10.073 1.381 522 HA LYS 66 HA LYS 66 12.246 -10.129 4.179 523 1HB LYS 66 1HB LYS 66 13.512 -8.808 1.765 524 2HB LYS 66 2HB LYS 66 13.941 -8.379 3.422 525 1HG LYS 66 1HG LYS 66 14.514 -10.766 3.856 526 2HG LYS 66 2HG LYS 66 14.180 -11.128 2.163 527 1HD LYS 66 1HD LYS 66 15.925 -9.527 1.471 528 2HD LYS 66 2HD LYS 66 16.264 -9.165 3.164 529 1HE LYS 66 1HE LYS 66 16.756 -11.642 3.490 530 2HE LYS 66 2HE LYS 66 16.690 -11.799 1.722 531 1HZ LYS 66 1HZ LYS 66 18.313 -9.990 1.560 532 2HZ LYS 66 2HZ LYS 66 18.423 -9.929 3.251 533 3HZ LYS 66 3HZ LYS 66 18.943 -11.315 2.418 534 H GLU 67 H GLU 67 11.560 -8.317 5.382 535 HA GLU 67 HA GLU 67 9.264 -6.858 4.429 536 1HB GLU 67 1HB GLU 67 9.896 -7.518 6.801 537 2HB GLU 67 2HB GLU 67 11.093 -6.223 6.763 538 1HG GLU 67 1HG GLU 67 9.318 -4.580 6.302 539 2HG GLU 67 2HG GLU 67 8.113 -5.869 6.315 540 H ALA 68 H ALA 68 9.288 -5.071 3.128 541 HA ALA 68 HA ALA 68 11.750 -3.351 3.131 542 1HB ALA 68 1HB ALA 68 9.979 -4.432 0.948 543 2HB ALA 68 2HB ALA 68 10.909 -2.959 0.681 544 3HB ALA 68 3HB ALA 68 11.737 -4.468 1.061 545 H ASP 69 H ASP 69 11.363 -1.075 2.930 546 HA ASP 69 HA ASP 69 8.733 -0.193 3.929 547 1HB ASP 69 1HB ASP 69 9.971 2.013 3.978 548 2HB ASP 69 2HB ASP 69 10.762 0.724 4.887 549 H ILE 70 H ILE 70 7.235 0.981 2.718 550 HA ILE 70 HA ILE 70 7.958 1.596 -0.129 551 HB ILE 70 HB ILE 70 5.562 0.207 1.084 552 1HG1 ILE 70 1HG1 ILE 70 7.462 -1.197 0.412 553 2HG1 ILE 70 2HG1 ILE 70 6.104 -1.458 -0.683 554 1HG2 ILE 70 1HG2 ILE 70 5.575 2.080 -1.103 555 2HG2 ILE 70 2HG2 ILE 70 5.235 0.465 -1.723 556 3HG2 ILE 70 3HG2 ILE 70 4.221 1.155 -0.455 557 1HD1 ILE 70 1HD1 ILE 70 7.177 0.360 -2.161 558 2HD1 ILE 70 2HD1 ILE 70 8.622 0.133 -1.175 559 3HD1 ILE 70 3HD1 ILE 70 7.976 -1.211 -2.116 560 H THR 71 H THR 71 7.097 3.551 -0.916 561 HA THR 71 HA THR 71 5.630 5.230 1.094 562 HB THR 71 HB THR 71 7.328 6.208 -1.207 563 HG1 THR 71 HG1 THR 71 8.185 5.649 1.436 564 1HG2 THR 71 1HG2 THR 71 7.602 8.156 0.314 565 2HG2 THR 71 2HG2 THR 71 5.912 7.860 -0.094 566 3HG2 THR 71 3HG2 THR 71 6.539 7.368 1.479 567 H THR 72 H THR 72 3.633 5.971 0.456 568 HA THR 72 HA THR 72 2.622 5.241 -2.214 569 HB THR 72 HB THR 72 0.493 6.078 -1.213 570 HG1 THR 72 HG1 THR 72 2.002 6.516 1.129 571 1HG2 THR 72 1HG2 THR 72 1.535 4.518 1.042 572 2HG2 THR 72 2HG2 THR 72 0.251 4.124 -0.099 573 3HG2 THR 72 3HG2 THR 72 1.934 3.825 -0.530 574 H MET 73 H MET 73 1.616 6.861 -3.631 575 HA MET 73 HA MET 73 3.210 9.246 -3.973 576 1HB MET 73 1HB MET 73 1.260 7.683 -5.358 577 2HB MET 73 2HB MET 73 0.710 9.359 -5.370 578 1HG MET 73 1HG MET 73 2.314 9.960 -6.836 579 2HG MET 73 2HG MET 73 3.570 9.180 -5.876 580 1HE MET 73 1HE MET 73 0.458 8.597 -7.585 581 2HE MET 73 2HE MET 73 0.936 7.962 -9.158 582 3HE MET 73 3HE MET 73 0.460 6.856 -7.863 583 H ASP 74 H ASP 74 0.486 8.534 -2.009 584 HA ASP 74 HA ASP 74 -0.565 11.287 -1.954 585 1HB ASP 74 1HB ASP 74 -2.154 10.290 -0.372 586 2HB ASP 74 2HB ASP 74 -1.967 9.230 -1.768 587 H GLY 75 H GLY 75 1.851 9.443 -0.312 588 1HA GLY 75 1HA GLY 75 3.466 10.671 1.096 589 2HA GLY 75 2HA GLY 75 2.120 11.645 1.691 590 H LYS 76 H LYS 76 1.790 8.187 1.277 591 HA LYS 76 HA LYS 76 1.517 7.930 4.243 592 1HB LYS 76 1HB LYS 76 0.133 6.963 1.875 593 2HB LYS 76 2HB LYS 76 0.582 5.624 2.933 594 1HG LYS 76 1HG LYS 76 -0.397 6.969 4.857 595 2HG LYS 76 2HG LYS 76 -1.056 8.068 3.644 596 1HD LYS 76 1HD LYS 76 -2.317 6.256 2.617 597 2HD LYS 76 2HD LYS 76 -1.580 5.083 3.708 598 1HE LYS 76 1HE LYS 76 -2.621 6.215 5.646 599 2HE LYS 76 2HE LYS 76 -3.372 7.391 4.549 600 1HZ LYS 76 1HZ LYS 76 -3.695 4.449 4.299 601 2HZ LYS 76 2HZ LYS 76 -4.818 5.457 5.080 602 3HZ LYS 76 3HZ LYS 76 -4.513 5.645 3.419 603 H LYS 77 H LYS 77 3.003 6.696 5.341 604 HA LYS 77 HA LYS 77 4.985 5.137 3.727 605 1HB LYS 77 1HB LYS 77 6.406 5.461 5.741 606 2HB LYS 77 2HB LYS 77 5.823 7.001 5.106 607 1HG LYS 77 1HG LYS 77 3.977 6.964 6.767 608 2HG LYS 77 2HG LYS 77 4.624 5.461 7.428 609 1HD LYS 77 1HD LYS 77 6.769 6.632 7.911 610 2HD LYS 77 2HD LYS 77 6.051 8.136 7.334 611 1HE LYS 77 1HE LYS 77 4.651 6.552 9.483 612 2HE LYS 77 2HE LYS 77 5.990 7.639 9.906 613 1HZ LYS 77 1HZ LYS 77 4.889 9.404 8.653 614 2HZ LYS 77 2HZ LYS 77 3.588 8.370 8.313 615 3HZ LYS 77 3HZ LYS 77 3.899 8.845 9.915 616 H LEU 78 H LEU 78 5.134 2.931 4.056 617 HA LEU 78 HA LEU 78 4.172 1.659 6.513 618 1HB LEU 78 1HB LEU 78 2.341 0.443 5.383 619 2HB LEU 78 2HB LEU 78 2.088 2.185 5.277 620 HG LEU 78 HG LEU 78 3.704 1.201 3.064 621 1HD1 LEU 78 1HD1 LEU 78 1.408 -0.393 3.868 622 2HD1 LEU 78 2HD1 LEU 78 1.170 0.308 2.267 623 3HD1 LEU 78 3HD1 LEU 78 2.582 -0.698 2.588 624 1HD2 LEU 78 1HD2 LEU 78 1.273 2.880 3.549 625 2HD2 LEU 78 2HD2 LEU 78 2.765 3.289 2.701 626 3HD2 LEU 78 3HD2 LEU 78 1.554 2.276 1.915 627 H LYS 79 H LYS 79 4.611 -0.687 6.468 628 HA LYS 79 HA LYS 79 6.734 -1.378 4.478 629 1HB LYS 79 1HB LYS 79 6.050 -2.636 7.152 630 2HB LYS 79 2HB LYS 79 7.527 -2.874 6.218 631 1HG LYS 79 1HG LYS 79 8.187 -0.572 6.545 632 2HG LYS 79 2HG LYS 79 6.635 -0.184 7.289 633 1HD LYS 79 1HD LYS 79 7.119 -1.683 9.160 634 2HD LYS 79 2HD LYS 79 8.637 -2.168 8.405 635 1HE LYS 79 1HE LYS 79 9.545 0.071 8.630 636 2HE LYS 79 2HE LYS 79 7.982 0.691 9.199 637 1HZ LYS 79 1HZ LYS 79 8.085 -0.906 11.037 638 2HZ LYS 79 2HZ LYS 79 9.623 -1.408 10.519 639 3HZ LYS 79 3HZ LYS 79 9.389 0.178 11.083 640 H CYS 80 H CYS 80 6.791 -3.829 3.989 641 HA CYS 80 HA CYS 80 4.450 -5.464 4.246 642 1HB CYS 80 1HB CYS 80 3.551 -5.147 1.955 643 2HB CYS 80 2HB CYS 80 3.494 -3.644 2.877 644 HG CYS 80 HG CYS 80 5.804 -3.007 1.609 645 H THR 81 H THR 81 5.026 -7.541 3.642 646 HA THR 81 HA THR 81 7.670 -7.900 2.333 647 HB THR 81 HB THR 81 5.823 -9.984 3.521 648 HG1 THR 81 HG1 THR 81 6.919 -9.559 5.475 649 1HG2 THR 81 1HG2 THR 81 8.313 -10.750 4.155 650 2HG2 THR 81 2HG2 THR 81 7.571 -11.167 2.610 651 3HG2 THR 81 3HG2 THR 81 8.685 -9.803 2.715 652 H VAL 82 H VAL 82 7.375 -7.769 0.097 653 HA VAL 82 HA VAL 82 5.024 -8.851 -1.246 654 HB VAL 82 HB VAL 82 7.735 -7.976 -2.295 655 1HG1 VAL 82 1HG1 VAL 82 6.328 -9.261 -3.898 656 2HG1 VAL 82 2HG1 VAL 82 5.020 -8.104 -3.645 657 3HG1 VAL 82 3HG1 VAL 82 6.530 -7.579 -4.390 658 1HG2 VAL 82 1HG2 VAL 82 5.461 -6.511 -1.153 659 2HG2 VAL 82 2HG2 VAL 82 7.105 -5.958 -1.473 660 3HG2 VAL 82 3HG2 VAL 82 5.905 -5.951 -2.766 661 H HIS 83 H HIS 83 4.848 -10.843 -2.287 662 HA HIS 83 HA HIS 83 7.261 -12.608 -2.366 663 1HB HIS 83 1HB HIS 83 5.835 -14.418 -1.416 664 2HB HIS 83 2HB HIS 83 5.996 -13.059 -0.305 665 HD1 HIS 83 HD1 HIS 83 3.906 -11.601 0.123 666 HD2 HIS 83 HD2 HIS 83 3.236 -14.703 -2.582 667 HE1 HIS 83 HE1 HIS 83 1.398 -11.737 -0.205 668 H LEU 84 H LEU 84 7.050 -14.342 -3.956 669 HA LEU 84 HA LEU 84 5.147 -13.650 -6.148 670 1HB LEU 84 1HB LEU 84 7.762 -15.150 -5.919 671 2HB LEU 84 2HB LEU 84 6.782 -15.228 -7.384 672 HG LEU 84 HG LEU 84 7.722 -12.643 -6.109 673 1HD1 LEU 84 1HD1 LEU 84 8.854 -14.303 -8.374 674 2HD1 LEU 84 2HD1 LEU 84 9.235 -12.593 -8.162 675 3HD1 LEU 84 3HD1 LEU 84 9.683 -13.757 -6.916 676 1HD2 LEU 84 1HD2 LEU 84 6.173 -13.390 -8.579 677 2HD2 LEU 84 2HD2 LEU 84 5.842 -12.117 -7.405 678 3HD2 LEU 84 3HD2 LEU 84 7.152 -11.922 -8.570 679 H ALA 85 H ALA 85 3.482 -15.041 -6.638 680 HA ALA 85 HA ALA 85 3.615 -17.846 -5.594 681 1HB ALA 85 1HB ALA 85 1.446 -15.755 -5.302 682 2HB ALA 85 2HB ALA 85 1.140 -17.472 -5.041 683 3HB ALA 85 3HB ALA 85 2.295 -16.617 -4.019 684 H ASN 86 H ASN 86 3.432 -19.154 -7.371 685 HA ASN 86 HA ASN 86 2.681 -19.982 -9.454 686 1HB ASN 86 1HB ASN 86 0.551 -19.564 -8.043 687 2HB ASN 86 2HB ASN 86 0.337 -18.122 -9.036 688 1HD2 ASN 86 2HD2 ASN 86 0.742 -21.684 -9.306 689 2HD2 ASN 86 1HD2 ASN 86 -0.104 -21.821 -10.772 690 H GLY 87 H GLY 87 4.308 -17.471 -9.338 691 1HA GLY 87 1HA GLY 87 5.150 -15.987 -10.961 692 2HA GLY 87 2HA GLY 87 4.020 -16.697 -12.116 693 H LYS 88 H LYS 88 3.509 -14.955 -9.032 694 HA LYS 88 HA LYS 88 2.264 -12.690 -10.449 695 1HB LYS 88 1HB LYS 88 0.719 -14.701 -8.783 696 2HB LYS 88 2HB LYS 88 0.073 -13.130 -9.263 697 1HG LYS 88 1HG LYS 88 0.413 -13.720 -11.640 698 2HG LYS 88 2HG LYS 88 1.035 -15.298 -11.155 699 1HD LYS 88 1HD LYS 88 -1.394 -15.328 -11.808 700 2HD LYS 88 2HD LYS 88 -1.094 -15.901 -10.167 701 1HE LYS 88 1HE LYS 88 -1.706 -13.688 -9.262 702 2HE LYS 88 2HE LYS 88 -1.990 -13.090 -10.909 703 1HZ LYS 88 1HZ LYS 88 -3.528 -15.028 -11.189 704 2HZ LYS 88 2HZ LYS 88 -3.405 -15.296 -9.517 705 3HZ LYS 88 3HZ LYS 88 -4.071 -13.847 -10.100 706 H LEU 89 H LEU 89 3.078 -10.994 -9.280 707 HA LEU 89 HA LEU 89 4.106 -11.205 -6.606 708 1HB LEU 89 1HB LEU 89 4.546 -9.528 -8.550 709 2HB LEU 89 2HB LEU 89 3.139 -8.668 -7.924 710 HG LEU 89 HG LEU 89 5.223 -9.496 -5.957 711 1HD1 LEU 89 1HD1 LEU 89 6.239 -8.392 -8.146 712 2HD1 LEU 89 2HD1 LEU 89 5.610 -6.913 -7.424 713 3HD1 LEU 89 3HD1 LEU 89 6.789 -7.889 -6.548 714 1HD2 LEU 89 1HD2 LEU 89 3.321 -7.183 -6.367 715 2HD2 LEU 89 2HD2 LEU 89 3.333 -8.365 -5.059 716 3HD2 LEU 89 3HD2 LEU 89 4.592 -7.132 -5.145 717 H VAL 90 H VAL 90 3.119 -10.763 -4.628 718 HA VAL 90 HA VAL 90 0.357 -9.651 -4.608 719 HB VAL 90 HB VAL 90 1.219 -12.318 -3.443 720 1HG1 VAL 90 1HG1 VAL 90 -1.160 -10.573 -3.041 721 2HG1 VAL 90 2HG1 VAL 90 -1.462 -12.302 -3.212 722 3HG1 VAL 90 3HG1 VAL 90 -0.402 -11.713 -1.930 723 1HG2 VAL 90 1HG2 VAL 90 -0.041 -11.478 -5.963 724 2HG2 VAL 90 2HG2 VAL 90 0.731 -13.009 -5.551 725 3HG2 VAL 90 3HG2 VAL 90 -0.951 -12.721 -5.105 726 H THR 91 H THR 91 0.505 -8.006 -3.134 727 HA THR 91 HA THR 91 2.311 -8.370 -0.769 728 HB THR 91 HB THR 91 1.211 -5.901 -2.153 729 HG1 THR 91 HG1 THR 91 3.758 -7.142 -2.092 730 1HG2 THR 91 1HG2 THR 91 3.247 -4.999 -0.639 731 2HG2 THR 91 2HG2 THR 91 1.582 -5.047 -0.059 732 3HG2 THR 91 3HG2 THR 91 2.707 -6.333 0.380 733 H LYS 92 H LYS 92 0.791 -9.395 0.638 734 HA LYS 92 HA LYS 92 -1.856 -8.157 1.072 735 1HB LYS 92 1HB LYS 92 -2.101 -10.101 2.606 736 2HB LYS 92 2HB LYS 92 -1.547 -10.599 1.006 737 1HG LYS 92 1HG LYS 92 0.796 -10.595 1.842 738 2HG LYS 92 2HG LYS 92 0.200 -10.180 3.450 739 1HD LYS 92 1HD LYS 92 -0.951 -12.570 2.052 740 2HD LYS 92 2HD LYS 92 0.635 -12.706 2.812 741 1HE LYS 92 1HE LYS 92 -0.396 -11.778 4.935 742 2HE LYS 92 2HE LYS 92 -1.979 -11.943 4.151 743 1HZ LYS 92 1HZ LYS 92 -1.416 -14.277 3.677 744 2HZ LYS 92 2HZ LYS 92 0.020 -14.103 4.562 745 3HZ LYS 92 3HZ LYS 92 -1.481 -13.959 5.344 746 H SER 93 H SER 93 -2.508 -7.531 3.304 747 HA SER 93 HA SER 93 -0.366 -6.955 5.249 748 1HB SER 93 1HB SER 93 -0.277 -5.134 3.542 749 2HB SER 93 2HB SER 93 -1.963 -4.760 3.889 750 HG SER 93 HG SER 93 -1.345 -3.752 5.623 751 H GLU 94 H GLU 94 -1.533 -5.434 7.049 752 HA GLU 94 HA GLU 94 -4.011 -6.899 7.781 753 1HB GLU 94 1HB GLU 94 -2.006 -6.658 9.291 754 2HB GLU 94 2HB GLU 94 -2.321 -4.923 9.344 755 1HG GLU 94 1HG GLU 94 -4.587 -5.373 10.242 756 2HG GLU 94 2HG GLU 94 -4.235 -7.102 10.231 757 H LYS 95 H LYS 95 -4.077 -4.800 5.683 758 HA LYS 95 HA LYS 95 -6.385 -3.321 6.614 759 1HB LYS 95 1HB LYS 95 -5.325 -1.107 6.692 760 2HB LYS 95 2HB LYS 95 -4.517 -2.190 7.826 761 1HG LYS 95 1HG LYS 95 -2.572 -2.193 6.640 762 2HG LYS 95 2HG LYS 95 -3.407 -2.205 5.086 763 1HD LYS 95 1HD LYS 95 -2.218 -0.083 5.365 764 2HD LYS 95 2HD LYS 95 -3.959 0.201 5.391 765 1HE LYS 95 1HE LYS 95 -3.924 0.239 7.866 766 2HE LYS 95 2HE LYS 95 -2.168 -0.027 7.838 767 1HZ LYS 95 1HZ LYS 95 -3.595 2.224 6.519 768 2HZ LYS 95 2HZ LYS 95 -2.690 2.340 7.952 769 3HZ LYS 95 3HZ LYS 95 -1.919 1.959 6.487 770 H PHE 96 H PHE 96 -4.328 -4.464 4.232 771 HA PHE 96 HA PHE 96 -6.051 -3.665 2.066 772 1HB PHE 96 1HB PHE 96 -4.698 -1.953 1.060 773 2HB PHE 96 2HB PHE 96 -4.857 -1.515 2.761 774 HD1 PHE 96 HD1 PHE 96 -2.667 -3.820 0.753 775 HD2 PHE 96 HD2 PHE 96 -2.898 -0.725 3.724 776 HE1 PHE 96 HE1 PHE 96 -0.200 -3.875 1.003 777 HE2 PHE 96 HE2 PHE 96 -0.430 -0.781 3.973 778 HZ PHE 96 HZ PHE 96 0.918 -2.356 2.612 779 H SER 97 H SER 97 -5.490 -4.806 0.162 780 HA SER 97 HA SER 97 -3.006 -6.485 0.335 781 1HB SER 97 1HB SER 97 -5.765 -7.129 -0.755 782 2HB SER 97 2HB SER 97 -4.384 -8.221 -0.801 783 HG SER 97 HG SER 97 -5.497 -8.730 1.025 784 H HIS 98 H HIS 98 -2.041 -7.011 -1.759 785 HA HIS 98 HA HIS 98 -2.977 -5.350 -4.062 786 1HB HIS 98 1HB HIS 98 -1.224 -4.178 -2.693 787 2HB HIS 98 2HB HIS 98 -0.128 -5.519 -3.030 788 HD2 HIS 98 HD2 HIS 98 -1.357 -2.267 -4.737 789 HE1 HIS 98 HE1 HIS 98 0.769 -4.449 -7.677 790 HE2 HIS 98 HE2 HIS 98 -0.303 -2.241 -7.103 791 H GLU 99 H GLU 99 -2.846 -6.483 -5.979 792 HA GLU 99 HA GLU 99 -0.949 -8.759 -6.217 793 1HB GLU 99 1HB GLU 99 -3.765 -8.942 -5.608 794 2HB GLU 99 2HB GLU 99 -3.457 -9.664 -7.189 795 1HG GLU 99 1HG GLU 99 -1.996 -11.267 -6.321 796 2HG GLU 99 2HG GLU 99 -1.637 -10.306 -4.886 797 H GLN 100 H GLN 100 -0.037 -8.595 -8.225 798 HA GLN 100 HA GLN 100 -1.698 -7.476 -10.456 799 1HB GLN 100 1HB GLN 100 -0.208 -5.748 -9.638 800 2HB GLN 100 2HB GLN 100 1.159 -6.864 -9.642 801 1HG GLN 100 1HG GLN 100 0.962 -7.085 -12.100 802 2HG GLN 100 2HG GLN 100 -0.379 -5.939 -12.086 803 1HE2 GLN 100 2HE2 GLN 100 2.731 -5.856 -10.267 804 2HE2 GLN 100 1HE2 GLN 100 3.223 -4.353 -10.886 805 H GLU 101 H GLU 101 -1.036 -8.255 -12.586 806 HA GLU 101 HA GLU 101 0.948 -10.457 -12.685 807 1HB GLU 101 1HB GLU 101 -1.308 -11.342 -11.939 808 2HB GLU 101 2HB GLU 101 -1.948 -10.831 -13.501 809 1HG GLU 101 1HG GLU 101 -0.351 -12.278 -14.664 810 2HG GLU 101 2HG GLU 101 0.369 -12.751 -13.124 811 H VAL 102 H VAL 102 1.424 -11.071 -14.943 812 HA VAL 102 HA VAL 102 0.576 -8.975 -16.919 813 HB VAL 102 HB VAL 102 2.929 -8.843 -16.046 814 1HG1 VAL 102 1HG1 VAL 102 3.202 -11.301 -15.723 815 2HG1 VAL 102 2HG1 VAL 102 3.230 -11.502 -17.475 816 3HG1 VAL 102 3HG1 VAL 102 4.513 -10.597 -16.670 817 1HG2 VAL 102 1HG2 VAL 102 2.212 -8.152 -18.397 818 2HG2 VAL 102 2HG2 VAL 102 3.928 -8.505 -18.198 819 3HG2 VAL 102 3HG2 VAL 102 2.865 -9.695 -18.951 820 H LYS 103 H LYS 103 -0.172 -9.756 -18.881 821 HA LYS 103 HA LYS 103 0.175 -12.681 -19.442 822 1HB LYS 103 1HB LYS 103 -2.286 -10.928 -19.422 823 2HB LYS 103 2HB LYS 103 -2.246 -12.440 -20.331 824 1HG LYS 103 1HG LYS 103 -1.577 -13.628 -18.234 825 2HG LYS 103 2HG LYS 103 -1.777 -12.113 -17.354 826 1HD LYS 103 1HD LYS 103 -4.142 -12.014 -18.059 827 2HD LYS 103 2HD LYS 103 -3.942 -13.536 -18.931 828 1HE LYS 103 1HE LYS 103 -3.098 -13.564 -16.077 829 2HE LYS 103 2HE LYS 103 -4.842 -13.446 -16.381 830 1HZ LYS 103 1HZ LYS 103 -3.060 -15.390 -17.744 831 2HZ LYS 103 2HZ LYS 103 -3.972 -15.768 -16.365 832 3HZ LYS 103 3HZ LYS 103 -4.756 -15.331 -17.807 833 H GLY 104 H GLY 104 1.770 -12.220 -21.066 834 1HA GLY 104 1HA GLY 104 2.270 -11.979 -23.375 835 2HA GLY 104 2HA GLY 104 0.646 -11.337 -23.628 836 H ASN 105 H ASN 105 0.431 -9.147 -23.836 837 HA ASN 105 HA ASN 105 2.829 -7.469 -23.172 838 1HB ASN 105 1HB ASN 105 2.123 -6.104 -25.095 839 2HB ASN 105 2HB ASN 105 2.305 -7.788 -25.586 840 1HD2 ASN 105 2HD2 ASN 105 -0.077 -5.245 -24.920 841 2HD2 ASN 105 1HD2 ASN 105 -1.399 -6.064 -25.602 842 H GLU 106 H GLU 106 -0.025 -8.202 -21.874 843 HA GLU 106 HA GLU 106 -0.722 -5.360 -21.204 844 1HB GLU 106 1HB GLU 106 -2.362 -7.898 -21.432 845 2HB GLU 106 2HB GLU 106 -2.997 -6.405 -20.741 846 1HG GLU 106 1HG GLU 106 -2.585 -5.211 -22.824 847 2HG GLU 106 2HG GLU 106 -1.814 -6.636 -23.522 848 H MET 107 H MET 107 -1.486 -5.049 -18.951 849 HA MET 107 HA MET 107 -0.529 -7.156 -17.048 850 1HB MET 107 1HB MET 107 1.211 -5.480 -17.278 851 2HB MET 107 2HB MET 107 0.038 -4.177 -17.080 852 1HG MET 107 1HG MET 107 -0.244 -4.597 -14.797 853 2HG MET 107 2HG MET 107 0.327 -6.261 -14.933 854 1HE MET 107 1HE MET 107 2.564 -6.600 -16.257 855 2HE MET 107 2HE MET 107 4.052 -5.990 -15.539 856 3HE MET 107 3HE MET 107 2.930 -6.956 -14.570 857 H VAL 108 H VAL 108 -1.831 -7.369 -15.208 858 HA VAL 108 HA VAL 108 -4.144 -5.468 -14.970 859 HB VAL 108 HB VAL 108 -4.024 -8.477 -14.578 860 1HG1 VAL 108 1HG1 VAL 108 -5.615 -7.134 -13.087 861 2HG1 VAL 108 2HG1 VAL 108 -6.468 -6.695 -14.567 862 3HG1 VAL 108 3HG1 VAL 108 -6.357 -8.387 -14.082 863 1HG2 VAL 108 1HG2 VAL 108 -3.947 -7.587 -16.954 864 2HG2 VAL 108 2HG2 VAL 108 -5.334 -8.615 -16.595 865 3HG2 VAL 108 3HG2 VAL 108 -5.527 -6.863 -16.656 866 H GLU 109 H GLU 109 -4.277 -4.537 -12.964 867 HA GLU 109 HA GLU 109 -2.760 -5.821 -10.716 868 1HB GLU 109 1HB GLU 109 -3.163 -3.031 -11.703 869 2HB GLU 109 2HB GLU 109 -3.002 -3.255 -9.961 870 1HG GLU 109 1HG GLU 109 -0.912 -4.613 -10.432 871 2HG GLU 109 2HG GLU 109 -1.033 -4.077 -12.109 872 H THR 110 H THR 110 -3.918 -6.285 -8.860 873 HA THR 110 HA THR 110 -6.735 -5.258 -8.692 874 HB THR 110 HB THR 110 -6.717 -7.586 -9.366 875 HG1 THR 110 HG1 THR 110 -8.189 -7.968 -7.944 876 1HG2 THR 110 1HG2 THR 110 -5.539 -9.286 -7.970 877 2HG2 THR 110 2HG2 THR 110 -4.432 -8.147 -8.737 878 3HG2 THR 110 3HG2 THR 110 -4.830 -7.975 -7.027 879 H ILE 111 H ILE 111 -6.997 -4.046 -6.862 880 HA ILE 111 HA ILE 111 -5.350 -4.746 -4.452 881 HB ILE 111 HB ILE 111 -6.130 -2.026 -5.554 882 1HG1 ILE 111 1HG1 ILE 111 -3.419 -3.372 -5.311 883 2HG1 ILE 111 2HG1 ILE 111 -4.333 -3.217 -6.812 884 1HG2 ILE 111 1HG2 ILE 111 -6.034 -2.170 -3.052 885 2HG2 ILE 111 2HG2 ILE 111 -4.364 -2.723 -3.189 886 3HG2 ILE 111 3HG2 ILE 111 -4.804 -1.105 -3.736 887 1HD1 ILE 111 1HD1 ILE 111 -3.457 -0.875 -5.097 888 2HD1 ILE 111 2HD1 ILE 111 -2.601 -1.431 -6.535 889 3HD1 ILE 111 3HD1 ILE 111 -4.238 -0.789 -6.675 890 H THR 112 H THR 112 -6.564 -5.005 -2.603 891 HA THR 112 HA THR 112 -9.447 -4.184 -2.716 892 HB THR 112 HB THR 112 -8.037 -6.355 -1.128 893 HG1 THR 112 HG1 THR 112 -8.252 -7.457 -2.881 894 1HG2 THR 112 1HG2 THR 112 -10.995 -6.165 -1.613 895 2HG2 THR 112 2HG2 THR 112 -10.132 -7.003 -0.323 896 3HG2 THR 112 3HG2 THR 112 -10.261 -5.243 -0.300 897 H PHE 113 H PHE 113 -10.150 -2.754 -1.159 898 HA PHE 113 HA PHE 113 -8.672 -2.461 1.387 899 1HB PHE 113 1HB PHE 113 -7.514 -1.074 -0.367 900 2HB PHE 113 2HB PHE 113 -9.014 -0.166 -0.569 901 HD1 PHE 113 HD1 PHE 113 -10.016 0.994 1.483 902 HD2 PHE 113 HD2 PHE 113 -6.008 -0.550 1.378 903 HE1 PHE 113 HE1 PHE 113 -9.416 2.417 3.423 904 HE2 PHE 113 HE2 PHE 113 -5.409 0.874 3.318 905 HZ PHE 113 HZ PHE 113 -7.113 2.358 4.340 906 H GLY 114 H GLY 114 -10.263 -2.286 2.911 907 1HA GLY 114 1HA GLY 114 -12.238 -1.559 3.963 908 2HA GLY 114 2HA GLY 114 -12.421 -0.374 2.669 909 H GLY 115 H GLY 115 -12.144 -3.868 2.199 910 1HA GLY 115 1HA GLY 115 -13.724 -5.432 1.423 911 2HA GLY 115 2HA GLY 115 -14.994 -4.300 1.891 912 H VAL 116 H VAL 116 -12.781 -2.681 -0.017 913 HA VAL 116 HA VAL 116 -14.519 -3.058 -2.430 914 HB VAL 116 HB VAL 116 -12.767 -0.755 -1.507 915 1HG1 VAL 116 1HG1 VAL 116 -13.127 -1.112 -4.035 916 2HG1 VAL 116 2HG1 VAL 116 -14.818 -0.722 -3.724 917 3HG1 VAL 116 3HG1 VAL 116 -13.562 0.467 -3.380 918 1HG2 VAL 116 1HG2 VAL 116 -15.136 -1.487 -0.429 919 2HG2 VAL 116 2HG2 VAL 116 -14.643 0.198 -0.588 920 3HG2 VAL 116 3HG2 VAL 116 -15.720 -0.522 -1.784 921 H THR 117 H THR 117 -13.543 -3.745 -4.321 922 HA THR 117 HA THR 117 -10.566 -4.106 -4.268 923 HB THR 117 HB THR 117 -12.727 -5.568 -5.821 924 HG1 THR 117 HG1 THR 117 -12.978 -6.189 -3.767 925 1HG2 THR 117 1HG2 THR 117 -10.688 -7.254 -5.867 926 2HG2 THR 117 2HG2 THR 117 -10.800 -5.951 -7.051 927 3HG2 THR 117 3HG2 THR 117 -9.746 -5.780 -5.648 928 H LEU 118 H LEU 118 -9.387 -3.121 -5.891 929 HA LEU 118 HA LEU 118 -10.931 -1.720 -8.048 930 1HB LEU 118 1HB LEU 118 -9.872 -0.184 -6.518 931 2HB LEU 118 2HB LEU 118 -8.356 -1.084 -6.579 932 HG LEU 118 HG LEU 118 -8.314 -0.583 -9.082 933 1HD1 LEU 118 1HD1 LEU 118 -10.831 0.100 -8.944 934 2HD1 LEU 118 2HD1 LEU 118 -10.208 1.655 -8.394 935 3HD1 LEU 118 3HD1 LEU 118 -9.756 1.037 -9.983 936 1HD2 LEU 118 1HD2 LEU 118 -8.173 1.677 -7.062 937 2HD2 LEU 118 2HD2 LEU 118 -6.853 0.615 -7.551 938 3HD2 LEU 118 3HD2 LEU 118 -7.524 1.773 -8.699 939 H ILE 119 H ILE 119 -10.288 -2.092 -10.174 940 HA ILE 119 HA ILE 119 -8.013 -4.007 -10.571 941 HB ILE 119 HB ILE 119 -10.540 -3.498 -12.177 942 1HG1 ILE 119 1HG1 ILE 119 -9.753 -5.933 -10.554 943 2HG1 ILE 119 2HG1 ILE 119 -10.774 -4.642 -9.920 944 1HG2 ILE 119 1HG2 ILE 119 -8.143 -5.268 -12.582 945 2HG2 ILE 119 2HG2 ILE 119 -9.721 -5.776 -13.183 946 3HG2 ILE 119 3HG2 ILE 119 -8.999 -4.274 -13.760 947 1HD1 ILE 119 1HD1 ILE 119 -11.423 -6.050 -12.511 948 2HD1 ILE 119 2HD1 ILE 119 -11.977 -6.668 -10.955 949 3HD1 ILE 119 3HD1 ILE 119 -12.489 -5.072 -11.504 950 H ARG 120 H ARG 120 -6.266 -3.036 -11.518 951 HA ARG 120 HA ARG 120 -6.751 -0.678 -13.309 952 1HB ARG 120 1HB ARG 120 -5.541 -0.203 -11.222 953 2HB ARG 120 2HB ARG 120 -4.375 -1.473 -11.594 954 1HG ARG 120 1HG ARG 120 -4.231 -0.027 -13.881 955 2HG ARG 120 2HG ARG 120 -4.630 1.254 -12.736 956 1HD ARG 120 1HD ARG 120 -2.448 -0.734 -12.099 957 2HD ARG 120 2HD ARG 120 -2.111 0.706 -13.081 958 HE ARG 120 HE ARG 120 -2.673 2.091 -11.193 959 1HH1 ARG 120 1HH1 ARG 120 -1.110 -0.208 -9.878 960 2HH1 ARG 120 2HH1 ARG 120 -2.109 -0.528 -8.500 961 1HH2 ARG 120 1HH2 ARG 120 -4.834 1.223 -9.740 962 2HH2 ARG 120 2HH2 ARG 120 -4.218 0.283 -8.422 963 H ARG 121 H ARG 121 -6.428 -1.195 -15.436 964 HA ARG 121 HA ARG 121 -4.668 -3.502 -16.119 965 1HB ARG 121 1HB ARG 121 -6.854 -1.929 -17.485 966 2HB ARG 121 2HB ARG 121 -5.816 -3.023 -18.401 967 1HG ARG 121 1HG ARG 121 -6.416 -4.830 -16.727 968 2HG ARG 121 2HG ARG 121 -7.625 -3.723 -16.075 969 1HD ARG 121 1HD ARG 121 -8.683 -3.574 -18.326 970 2HD ARG 121 2HD ARG 121 -7.502 -4.753 -18.933 971 HE ARG 121 HE ARG 121 -8.488 -6.037 -16.731 972 1HH1 ARG 121 1HH1 ARG 121 -9.283 -6.811 -19.545 973 2HH1 ARG 121 2HH1 ARG 121 -11.010 -6.718 -19.457 974 1HH2 ARG 121 1HH2 ARG 121 -11.025 -4.868 -16.524 975 2HH2 ARG 121 2HH2 ARG 121 -11.996 -5.619 -17.746 976 H SER 122 H SER 122 -2.629 -3.073 -16.860 977 HA SER 122 HA SER 122 -2.090 -0.359 -18.027 978 1HB SER 122 1HB SER 122 -0.184 -2.188 -16.542 979 2HB SER 122 2HB SER 122 0.078 -0.500 -16.968 980 HG SER 122 HG SER 122 -0.736 -1.159 -14.734 981 H LYS 123 H LYS 123 -0.626 -0.315 -19.834 982 HA LYS 123 HA LYS 123 -0.297 -2.966 -21.198 983 1HB LYS 123 1HB LYS 123 -1.772 -0.967 -22.064 984 2HB LYS 123 2HB LYS 123 -0.222 -0.278 -22.549 985 1HG LYS 123 1HG LYS 123 0.287 -2.239 -23.895 986 2HG LYS 123 2HG LYS 123 -1.173 -3.050 -23.325 987 1HD LYS 123 1HD LYS 123 -2.512 -1.151 -24.315 988 2HD LYS 123 2HD LYS 123 -1.019 -0.558 -25.042 989 1HE LYS 123 1HE LYS 123 -0.809 -2.450 -26.449 990 2HE LYS 123 2HE LYS 123 -1.940 -3.408 -25.471 991 1HZ LYS 123 1HZ LYS 123 -2.660 -0.909 -26.909 992 2HZ LYS 123 2HZ LYS 123 -2.974 -2.471 -27.497 993 3HZ LYS 123 3HZ LYS 123 -3.718 -1.939 -26.069 994 H ARG 124 H ARG 124 1.729 -3.343 -22.286 995 HA ARG 124 HA ARG 124 4.047 -2.128 -20.983 996 1HB ARG 124 1HB ARG 124 3.565 -4.560 -21.857 997 2HB ARG 124 2HB ARG 124 4.119 -3.915 -23.402 998 1HG ARG 124 1HG ARG 124 6.235 -3.217 -22.388 999 2HG ARG 124 2HG ARG 124 5.683 -3.774 -20.808 1000 1HD ARG 124 1HD ARG 124 5.399 -6.089 -21.869 1001 2HD ARG 124 2HD ARG 124 6.319 -5.453 -23.248 1002 HE ARG 124 HE ARG 124 7.877 -4.696 -21.128 1003 1HH1 ARG 124 1HH1 ARG 124 8.655 -6.968 -22.951 1004 2HH1 ARG 124 2HH1 ARG 124 8.863 -8.268 -21.825 1005 1HH2 ARG 124 1HH2 ARG 124 7.158 -6.671 -19.261 1006 2HH2 ARG 124 2HH2 ARG 124 8.015 -8.101 -19.736 1007 H VAL 125 HN VAL 125 5.379 -0.547 -21.843 1008 HA VAL 125 HA VAL 125 4.813 0.359 -24.649 1009 HB VAL 125 HB VAL 125 5.435 1.981 -22.158 1010 1HG1 VAL 125 1HG1 VAL 125 6.150 2.704 -24.637 1011 2HG1 VAL 125 2HG1 VAL 125 4.458 3.197 -24.703 1012 3HG1 VAL 125 3HG1 VAL 125 5.526 3.873 -23.473 1013 1HG2 VAL 125 1HG2 VAL 125 3.127 0.953 -22.332 1014 2HG2 VAL 125 2HG2 VAL 125 3.137 2.716 -22.280 1015 3HG2 VAL 125 3HG2 VAL 125 2.897 1.880 -23.815 1016 1H1 JN3 130 1H1 JN3 130 -3.454 1.723 -7.066 1017 2H1 JN3 130 2H1 JN3 130 -3.087 3.101 -8.158 1018 1H2 JN3 130 1H2 JN3 130 -0.841 3.199 -7.300 1019 2H2 JN3 130 2H2 JN3 130 -1.228 1.565 -7.966 1020 H3 JN3 130 H3 JN3 130 -1.709 0.711 -5.598 1021 HO3 JN3 130 HO3 JN3 130 0.531 1.255 -4.604 1022 1H4 JN3 130 1H4 JN3 130 -0.923 3.523 -4.704 1023 2H4 JN3 130 2H4 JN3 130 -1.318 2.168 -3.629 1024 H5 JN3 130 H5 JN3 130 -3.699 2.088 -4.669 1025 1H6 JN3 130 1H6 JN3 130 -3.368 3.490 -2.608 1026 2H6 JN3 130 2H6 JN3 130 -4.606 4.128 -3.678 1027 H7 JN3 130 H7 JN3 130 -3.107 5.922 -2.809 1028 HO7 JN3 130 HO7 JN3 130 -1.116 4.954 -2.570 1029 H8 JN3 130 H8 JN3 130 -4.182 6.212 -5.008 1030 H9 JN3 130 H9 JN3 130 -1.492 4.962 -6.123 1031 1H11 JN3 130 1H11 JN3 130 -3.946 6.049 -7.653 1032 2H11 JN3 130 2H11 JN3 130 -2.580 5.232 -8.414 1033 1H12 JN3 130 1H12 JN3 130 -2.267 7.679 -8.613 1034 2H12 JN3 130 2H12 JN3 130 -1.040 7.053 -7.508 1035 H14 JN3 130 H14 JN3 130 -1.260 7.332 -5.008 1036 1H15 JN3 130 1H15 JN3 130 -2.231 8.385 -3.113 1037 2H15 JN3 130 2H15 JN3 130 -3.805 8.547 -3.884 1038 1H16 JN3 130 1H16 JN3 130 -1.416 10.243 -4.191 1039 2H16 JN3 130 2H16 JN3 130 -3.095 10.546 -4.767 1040 H17 JN3 130 H17 JN3 130 -0.746 9.290 -6.306 1041 1H18 JN3 130 1H18 JN3 130 -4.574 9.167 -5.887 1042 2H18 JN3 130 2H18 JN3 130 -4.464 8.917 -7.646 1043 3H18 JN3 130 3H18 JN3 130 -4.795 7.539 -6.570 1044 1H19 JN3 130 1H19 JN3 130 -5.262 4.478 -5.560 1045 2H19 JN3 130 2H19 JN3 130 -5.092 4.181 -7.307 1046 3H19 JN3 130 3H19 JN3 130 -5.381 2.820 -6.196 1047 H20 JN3 130 H20 JN3 130 -2.950 11.171 -7.130 1048 1H21 JN3 130 1H21 JN3 130 -2.050 11.355 -9.317 1049 2H21 JN3 130 2H21 JN3 130 -0.970 9.974 -9.008 1050 3H21 JN3 130 3H21 JN3 130 -2.734 9.739 -9.019 1051 1H22 JN3 130 1H22 JN3 130 -0.801 12.454 -7.864 1052 2H22 JN3 130 2H22 JN3 130 0.049 11.294 -6.787 1053 1H23 JN3 130 1H23 JN3 130 -0.298 12.854 -5.165 1054 2H23 JN3 130 2H23 JN3 130 -1.957 12.309 -5.149 1055 1H1 JN3 131 1H1 JN3 131 5.319 -4.956 -4.617 1056 2H1 JN3 131 2H1 JN3 131 3.696 -5.069 -3.856 1057 1H2 JN3 131 1H2 JN3 131 2.709 -3.993 -5.769 1058 2H2 JN3 131 2H2 JN3 131 3.618 -5.482 -6.237 1059 H3 JN3 131 H3 JN3 131 5.627 -4.044 -6.918 1060 HO3 JN3 131 HO3 JN3 131 4.031 -2.465 -8.410 1061 1H4 JN3 131 1H4 JN3 131 3.864 -1.674 -6.144 1062 2H4 JN3 131 2H4 JN3 131 5.480 -1.567 -6.866 1063 H5 JN3 131 H5 JN3 131 6.446 -2.802 -4.793 1064 1H6 JN3 131 1H6 JN3 131 6.414 -0.288 -4.749 1065 2H6 JN3 131 2H6 JN3 131 6.229 -1.003 -3.155 1066 H7 JN3 131 H7 JN3 131 4.650 0.894 -3.517 1067 HO7 JN3 131 HO7 JN3 131 3.687 1.059 -5.405 1068 H8 JN3 131 H8 JN3 131 4.016 -0.924 -1.979 1069 H9 JN3 131 H9 JN3 131 2.604 -2.153 -4.534 1070 1H11 JN3 131 1H11 JN3 131 2.647 -3.175 -1.618 1071 2H11 JN3 131 2H11 JN3 131 1.944 -4.060 -2.974 1072 1H12 JN3 131 1H12 JN3 131 0.141 -2.860 -1.775 1073 2H12 JN3 131 2H12 JN3 131 0.342 -2.112 -3.361 1074 H14 JN3 131 H14 JN3 131 1.559 0.085 -3.631 1075 1H15 JN3 131 1H15 JN3 131 2.446 2.092 -2.725 1076 2H15 JN3 131 2H15 JN3 131 2.910 1.321 -1.212 1077 1H16 JN3 131 1H16 JN3 131 0.263 2.312 -2.044 1078 2H16 JN3 131 2H16 JN3 131 0.800 1.765 -0.414 1079 H17 JN3 131 H17 JN3 131 -0.615 0.136 -2.604 1080 1H18 JN3 131 1H18 JN3 131 1.985 -0.111 0.228 1081 2H18 JN3 131 2H18 JN3 131 1.190 -1.692 0.424 1082 3H18 JN3 131 3H18 JN3 131 2.782 -1.588 -0.363 1083 1H19 JN3 131 1H19 JN3 131 5.463 -2.467 -1.988 1084 2H19 JN3 131 2H19 JN3 131 4.668 -4.055 -1.870 1085 3H19 JN3 131 3H19 JN3 131 6.241 -3.905 -2.688 1086 H20 JN3 131 H20 JN3 131 -0.814 -0.601 0.279 1087 1H21 JN3 131 1H21 JN3 131 -3.119 -0.976 -0.132 1088 2H21 JN3 131 2H21 JN3 131 -2.919 -0.466 -1.825 1089 3H21 JN3 131 3H21 JN3 131 -2.091 -1.924 -1.232 1090 1H22 JN3 131 1H22 JN3 131 -2.703 1.518 -0.624 1091 2H22 JN3 131 2H22 JN3 131 -1.013 2.038 -0.299 1092 1H23 JN3 131 1H23 JN3 131 -1.210 1.574 2.010 1093 2H23 JN3 131 2H23 JN3 131 -2.570 0.499 1.796 Start of MODEL 14 1 1H ALA 1 1H ALA 1 6.938 -10.074 -19.105 2 2H ALA 1 2H ALA 1 5.331 -10.579 -18.886 3 3H ALA 1 3H ALA 1 6.544 -11.719 -19.224 4 HA ALA 1 HA ALA 1 5.990 -11.809 -16.878 5 1HB ALA 1 1HB ALA 1 8.361 -11.950 -17.990 6 2HB ALA 1 2HB ALA 1 8.641 -10.410 -17.175 7 3HB ALA 1 3HB ALA 1 8.251 -11.849 -16.233 8 H PHE 2 H PHE 2 7.312 -10.254 -14.940 9 HA PHE 2 HA PHE 2 5.466 -7.976 -14.718 10 1HB PHE 2 1HB PHE 2 7.610 -9.231 -12.987 11 2HB PHE 2 2HB PHE 2 6.703 -7.804 -12.482 12 HD1 PHE 2 HD1 PHE 2 4.107 -7.966 -12.583 13 HD2 PHE 2 HD2 PHE 2 6.723 -11.373 -12.622 14 HE1 PHE 2 HE1 PHE 2 2.231 -9.415 -11.854 15 HE2 PHE 2 HE2 PHE 2 4.847 -12.822 -11.892 16 HZ PHE 2 HZ PHE 2 2.600 -11.843 -11.509 17 H SER 3 H SER 3 8.968 -8.494 -15.101 18 HA SER 3 HA SER 3 9.852 -5.814 -14.783 19 1HB SER 3 1HB SER 3 11.817 -6.624 -15.975 20 2HB SER 3 2HB SER 3 11.214 -7.920 -14.944 21 HG SER 3 HG SER 3 11.393 -7.769 -17.663 22 H GLY 4 H GLY 4 10.047 -4.093 -16.266 23 1HA GLY 4 1HA GLY 4 10.046 -3.544 -18.775 24 2HA GLY 4 2HA GLY 4 8.523 -4.433 -18.817 25 H THR 5 H THR 5 8.120 -2.028 -19.713 26 HA THR 5 HA THR 5 7.403 -0.231 -17.437 27 HB THR 5 HB THR 5 7.562 0.235 -20.433 28 HG1 THR 5 HG1 THR 5 9.604 0.407 -20.073 29 1HG2 THR 5 1HG2 THR 5 7.756 2.669 -19.504 30 2HG2 THR 5 2HG2 THR 5 6.162 1.924 -19.617 31 3HG2 THR 5 3HG2 THR 5 6.994 1.995 -18.063 32 H TRP 6 H TRP 6 5.257 0.060 -16.931 33 HA TRP 6 HA TRP 6 3.214 -0.978 -18.872 34 1HB TRP 6 1HB TRP 6 3.229 -0.959 -15.835 35 2HB TRP 6 2HB TRP 6 1.940 -1.613 -16.845 36 HD1 TRP 6 HD1 TRP 6 5.291 -2.441 -15.394 37 HE1 TRP 6 HE1 TRP 6 5.997 -4.812 -16.120 38 HE3 TRP 6 HE3 TRP 6 1.739 -3.371 -18.944 39 HZ2 TRP 6 HZ2 TRP 6 5.165 -6.836 -17.964 40 HZ3 TRP 6 HZ3 TRP 6 1.719 -5.525 -20.169 41 HH2 TRP 6 HH2 TRP 6 3.426 -7.256 -19.683 42 H GLN 7 H GLN 7 1.421 0.360 -19.233 43 HA GLN 7 HA GLN 7 1.416 3.000 -17.802 44 1HB GLN 7 1HB GLN 7 2.215 3.066 -20.155 45 2HB GLN 7 2HB GLN 7 0.697 2.335 -20.677 46 1HG GLN 7 1HG GLN 7 -0.569 4.242 -19.905 47 2HG GLN 7 2HG GLN 7 0.860 4.942 -19.143 48 1HE2 GLN 7 2HE2 GLN 7 -0.633 6.353 -21.164 49 2HE2 GLN 7 1HE2 GLN 7 0.356 6.513 -22.533 50 H VAL 8 H VAL 8 -0.441 3.258 -16.629 51 HA VAL 8 HA VAL 8 -2.677 1.456 -16.770 52 HB VAL 8 HB VAL 8 -2.404 4.250 -15.611 53 1HG1 VAL 8 1HG1 VAL 8 -4.394 2.013 -15.198 54 2HG1 VAL 8 2HG1 VAL 8 -4.151 3.281 -13.996 55 3HG1 VAL 8 3HG1 VAL 8 -4.718 3.696 -15.614 56 1HG2 VAL 8 1HG2 VAL 8 -1.748 1.490 -14.557 57 2HG2 VAL 8 2HG2 VAL 8 -0.679 2.889 -14.671 58 3HG2 VAL 8 3HG2 VAL 8 -1.987 2.872 -13.488 59 H TYR 9 H TYR 9 -4.297 1.457 -18.274 60 HA TYR 9 HA TYR 9 -4.924 4.038 -19.676 61 1HB TYR 9 1HB TYR 9 -5.252 2.702 -21.685 62 2HB TYR 9 2HB TYR 9 -3.674 2.301 -21.003 63 HD1 TYR 9 HD1 TYR 9 -3.422 0.220 -19.599 64 HD2 TYR 9 HD2 TYR 9 -6.980 1.067 -21.853 65 HE1 TYR 9 HE1 TYR 9 -4.104 -2.156 -19.415 66 HE2 TYR 9 HE2 TYR 9 -7.661 -1.310 -21.670 67 HH TYR 9 HH TYR 9 -7.265 -3.244 -20.425 68 H ALA 10 H ALA 10 -6.148 1.007 -18.319 69 HA ALA 10 HA ALA 10 -8.911 2.175 -18.406 70 1HB ALA 10 1HB ALA 10 -8.507 0.364 -20.075 71 2HB ALA 10 2HB ALA 10 -8.061 -0.718 -18.757 72 3HB ALA 10 3HB ALA 10 -9.708 -0.100 -18.870 73 H GLN 11 H GLN 11 -9.778 2.343 -16.377 74 HA GLN 11 HA GLN 11 -8.935 0.391 -14.279 75 1HB GLN 11 1HB GLN 11 -8.599 2.317 -12.740 76 2HB GLN 11 2HB GLN 11 -7.506 2.390 -14.122 77 1HG GLN 11 1HG GLN 11 -9.270 3.864 -15.252 78 2HG GLN 11 2HG GLN 11 -10.032 3.987 -13.666 79 1HE2 GLN 11 2HE2 GLN 11 -8.671 6.161 -15.223 80 2HE2 GLN 11 1HE2 GLN 11 -7.426 6.729 -14.220 81 H GLU 12 H GLU 12 -10.835 -0.486 -13.554 82 HA GLU 12 HA GLU 12 -13.341 1.106 -13.716 83 1HB GLU 12 1HB GLU 12 -13.141 -1.218 -14.624 84 2HB GLU 12 2HB GLU 12 -12.820 -1.797 -12.989 85 1HG GLU 12 1HG GLU 12 -15.003 -0.983 -12.239 86 2HG GLU 12 2HG GLU 12 -15.326 -0.314 -13.839 87 H ASN 13 H ASN 13 -14.545 1.631 -11.859 88 HA ASN 13 HA ASN 13 -14.945 2.052 -9.567 89 1HB ASN 13 1HB ASN 13 -14.764 -0.518 -9.748 90 2HB ASN 13 2HB ASN 13 -13.137 -0.325 -9.094 91 1HD2 ASN 13 2HD2 ASN 13 -16.555 0.555 -8.362 92 2HD2 ASN 13 1HD2 ASN 13 -16.356 0.521 -6.676 93 H TYR 14 H TYR 14 -12.223 2.748 -11.059 94 HA TYR 14 HA TYR 14 -10.078 2.889 -9.262 95 1HB TYR 14 1HB TYR 14 -10.039 3.550 -11.636 96 2HB TYR 14 2HB TYR 14 -11.064 4.939 -11.274 97 HD1 TYR 14 HD1 TYR 14 -7.898 3.373 -9.988 98 HD2 TYR 14 HD2 TYR 14 -9.998 6.984 -10.987 99 HE1 TYR 14 HE1 TYR 14 -5.891 4.704 -9.396 100 HE2 TYR 14 HE2 TYR 14 -7.992 8.315 -10.396 101 HH TYR 14 HH TYR 14 -5.515 7.939 -10.254 102 H GLU 15 H GLU 15 -12.607 5.396 -9.728 103 HA GLU 15 HA GLU 15 -11.769 7.079 -7.576 104 1HB GLU 15 1HB GLU 15 -14.279 6.617 -9.166 105 2HB GLU 15 2HB GLU 15 -14.308 7.740 -7.806 106 1HG GLU 15 1HG GLU 15 -12.391 8.966 -8.800 107 2HG GLU 15 2HG GLU 15 -12.425 7.869 -10.181 108 H GLU 16 H GLU 16 -14.348 4.591 -7.702 109 HA GLU 16 HA GLU 16 -15.264 4.785 -5.040 110 1HB GLU 16 1HB GLU 16 -15.008 2.548 -7.050 111 2HB GLU 16 2HB GLU 16 -15.755 2.273 -5.476 112 1HG GLU 16 1HG GLU 16 -17.288 4.219 -5.957 113 2HG GLU 16 2HG GLU 16 -16.633 4.253 -7.594 114 H PHE 17 H PHE 17 -12.872 2.405 -6.270 115 HA PHE 17 HA PHE 17 -12.056 1.298 -3.831 116 1HB PHE 17 1HB PHE 17 -11.319 0.426 -5.948 117 2HB PHE 17 2HB PHE 17 -10.562 1.959 -6.382 118 HD1 PHE 17 HD1 PHE 17 -10.409 -0.829 -3.899 119 HD2 PHE 17 HD2 PHE 17 -8.319 2.406 -5.801 120 HE1 PHE 17 HE1 PHE 17 -8.295 -1.567 -2.833 121 HE2 PHE 17 HE2 PHE 17 -6.204 1.668 -4.734 122 HZ PHE 17 HZ PHE 17 -6.193 -0.319 -3.250 123 H LEU 18 H LEU 18 -10.486 4.066 -5.497 124 HA LEU 18 HA LEU 18 -8.645 4.713 -3.432 125 1HB LEU 18 1HB LEU 18 -9.984 6.149 -5.709 126 2HB LEU 18 2HB LEU 18 -8.954 7.058 -4.603 127 HG LEU 18 HG LEU 18 -7.878 4.480 -5.641 128 1HD1 LEU 18 1HD1 LEU 18 -8.640 6.794 -7.332 129 2HD1 LEU 18 2HD1 LEU 18 -6.998 6.190 -7.564 130 3HD1 LEU 18 3HD1 LEU 18 -8.375 5.108 -7.782 131 1HD2 LEU 18 1HD2 LEU 18 -6.913 7.142 -4.694 132 2HD2 LEU 18 2HD2 LEU 18 -6.308 5.529 -4.314 133 3HD2 LEU 18 3HD2 LEU 18 -5.904 6.283 -5.857 134 H LYS 19 H LYS 19 -11.984 5.843 -3.992 135 HA LYS 19 HA LYS 19 -12.214 7.846 -2.053 136 1HB LYS 19 1HB LYS 19 -13.957 7.194 -3.654 137 2HB LYS 19 2HB LYS 19 -14.159 5.648 -2.829 138 1HG LYS 19 1HG LYS 19 -14.370 7.968 -1.037 139 2HG LYS 19 2HG LYS 19 -15.614 7.928 -2.286 140 1HD LYS 19 1HD LYS 19 -15.633 5.326 -1.532 141 2HD LYS 19 2HD LYS 19 -15.164 6.081 -0.008 142 1HE LYS 19 1HE LYS 19 -17.196 7.140 0.245 143 2HE LYS 19 2HE LYS 19 -17.414 7.356 -1.504 144 1HZ LYS 19 1HZ LYS 19 -17.436 4.694 -0.198 145 2HZ LYS 19 2HZ LYS 19 -18.853 5.598 -0.446 146 3HZ LYS 19 3HZ LYS 19 -17.932 5.085 -1.775 147 H ALA 20 H ALA 20 -12.377 4.316 -1.591 148 HA ALA 20 HA ALA 20 -13.054 4.412 1.215 149 1HB ALA 20 1HB ALA 20 -13.260 2.517 -0.516 150 2HB ALA 20 2HB ALA 20 -11.541 2.235 -0.242 151 3HB ALA 20 3HB ALA 20 -12.687 2.057 1.087 152 H LEU 21 H LEU 21 -10.032 4.606 -0.573 153 HA LEU 21 HA LEU 21 -8.182 3.922 1.476 154 1HB LEU 21 1HB LEU 21 -8.183 4.850 -1.155 155 2HB LEU 21 2HB LEU 21 -7.368 6.132 -0.257 156 HG LEU 21 HG LEU 21 -5.999 4.247 0.843 157 1HD1 LEU 21 1HD1 LEU 21 -7.490 2.795 -1.313 158 2HD1 LEU 21 2HD1 LEU 21 -5.828 2.316 -0.967 159 3HD1 LEU 21 3HD1 LEU 21 -7.049 2.247 0.304 160 1HD2 LEU 21 1HD2 LEU 21 -5.174 5.842 -0.918 161 2HD2 LEU 21 2HD2 LEU 21 -4.392 4.261 -0.980 162 3HD2 LEU 21 3HD2 LEU 21 -5.656 4.667 -2.142 163 H ALA 22 H ALA 22 -10.234 6.701 1.116 164 HA ALA 22 HA ALA 22 -10.627 8.404 2.746 165 1HB ALA 22 1HB ALA 22 -9.250 6.461 4.092 166 2HB ALA 22 2HB ALA 22 -8.125 7.815 4.214 167 3HB ALA 22 3HB ALA 22 -9.771 7.980 4.824 168 H LEU 23 H LEU 23 -8.822 8.505 0.303 169 HA LEU 23 HA LEU 23 -6.616 10.289 0.931 170 1HB LEU 23 1HB LEU 23 -8.080 9.368 -1.543 171 2HB LEU 23 2HB LEU 23 -6.800 10.577 -1.646 172 HG LEU 23 HG LEU 23 -6.479 7.852 -0.357 173 1HD1 LEU 23 1HD1 LEU 23 -6.128 8.837 -3.145 174 2HD1 LEU 23 2HD1 LEU 23 -4.858 7.791 -2.510 175 3HD1 LEU 23 3HD1 LEU 23 -6.524 7.219 -2.564 176 1HD2 LEU 23 1HD2 LEU 23 -4.682 10.218 -0.843 177 2HD2 LEU 23 2HD2 LEU 23 -4.865 9.248 0.618 178 3HD2 LEU 23 3HD2 LEU 23 -3.998 8.595 -0.770 179 HA PRO 24 HA PRO 24 -8.691 14.155 0.922 180 1HB PRO 24 1HB PRO 24 -6.914 15.759 -0.405 181 2HB PRO 24 2HB PRO 24 -6.629 15.154 1.240 182 1HG PRO 24 1HG PRO 24 -5.534 14.184 -1.349 183 2HG PRO 24 2HG PRO 24 -4.750 14.310 0.233 184 1HD PRO 24 1HD PRO 24 -5.698 11.968 -0.811 185 2HD PRO 24 2HD PRO 24 -5.541 12.285 0.932 186 H GLU 25 H GLU 25 -10.203 15.233 -0.365 187 HA GLU 25 HA GLU 25 -10.924 14.219 -2.924 188 1HB GLU 25 1HB GLU 25 -11.480 16.865 -1.544 189 2HB GLU 25 2HB GLU 25 -12.371 16.268 -2.945 190 1HG GLU 25 1HG GLU 25 -13.141 14.331 -1.706 191 2HG GLU 25 2HG GLU 25 -12.127 14.759 -0.328 192 H ASP 26 H ASP 26 -9.018 17.097 -2.020 193 HA ASP 26 HA ASP 26 -8.712 18.278 -4.566 194 1HB ASP 26 1HB ASP 26 -6.892 18.039 -2.154 195 2HB ASP 26 2HB ASP 26 -6.542 19.106 -3.515 196 H LEU 27 H LEU 27 -7.203 15.406 -3.210 197 HA LEU 27 HA LEU 27 -5.229 15.238 -5.413 198 1HB LEU 27 1HB LEU 27 -4.556 14.676 -3.140 199 2HB LEU 27 2HB LEU 27 -5.884 13.523 -2.997 200 HG LEU 27 HG LEU 27 -4.884 12.265 -4.949 201 1HD1 LEU 27 1HD1 LEU 27 -2.790 14.388 -4.528 202 2HD1 LEU 27 2HD1 LEU 27 -2.338 12.805 -5.163 203 3HD1 LEU 27 3HD1 LEU 27 -3.492 13.810 -6.040 204 1HD2 LEU 27 1HD2 LEU 27 -3.602 12.600 -2.266 205 2HD2 LEU 27 2HD2 LEU 27 -4.400 11.188 -2.957 206 3HD2 LEU 27 3HD2 LEU 27 -2.764 11.610 -3.461 207 H ILE 28 H ILE 28 -8.393 14.066 -4.615 208 HA ILE 28 HA ILE 28 -8.259 11.717 -6.384 209 HB ILE 28 HB ILE 28 -10.479 13.120 -4.864 210 1HG1 ILE 28 1HG1 ILE 28 -9.088 10.485 -4.306 211 2HG1 ILE 28 2HG1 ILE 28 -8.607 12.010 -3.562 212 1HG2 ILE 28 1HG2 ILE 28 -10.448 10.726 -6.665 213 2HG2 ILE 28 2HG2 ILE 28 -11.493 10.699 -5.245 214 3HG2 ILE 28 3HG2 ILE 28 -11.695 11.958 -6.464 215 1HD1 ILE 28 1HD1 ILE 28 -11.493 11.237 -3.435 216 2HD1 ILE 28 2HD1 ILE 28 -10.363 10.397 -2.374 217 3HD1 ILE 28 3HD1 ILE 28 -10.525 12.151 -2.278 218 H LYS 29 H LYS 29 -9.737 14.964 -6.424 219 HA LYS 29 HA LYS 29 -11.027 14.610 -9.003 220 1HB LYS 29 1HB LYS 29 -10.243 17.089 -7.433 221 2HB LYS 29 2HB LYS 29 -11.420 17.036 -8.746 222 1HG LYS 29 1HG LYS 29 -12.555 15.172 -7.288 223 2HG LYS 29 2HG LYS 29 -11.630 15.897 -5.973 224 1HD LYS 29 1HD LYS 29 -12.593 18.140 -6.683 225 2HD LYS 29 2HD LYS 29 -13.683 17.245 -7.742 226 1HE LYS 29 1HE LYS 29 -13.474 16.511 -4.822 227 2HE LYS 29 2HE LYS 29 -14.536 17.831 -5.350 228 1HZ LYS 29 1HZ LYS 29 -15.432 16.283 -7.051 229 2HZ LYS 29 2HZ LYS 29 -14.548 15.027 -6.330 230 3HZ LYS 29 3HZ LYS 29 -15.779 15.809 -5.457 231 H MET 30 H MET 30 -7.881 15.794 -7.917 232 HA MET 30 HA MET 30 -7.154 16.883 -10.545 233 1HB MET 30 1HB MET 30 -6.408 17.694 -8.249 234 2HB MET 30 2HB MET 30 -5.406 16.245 -8.154 235 1HG MET 30 1HG MET 30 -4.302 16.920 -10.292 236 2HG MET 30 2HG MET 30 -5.233 18.417 -10.262 237 1HE MET 30 1HE MET 30 -5.090 20.208 -8.826 238 2HE MET 30 2HE MET 30 -5.292 19.424 -7.262 239 3HE MET 30 3HE MET 30 -3.937 20.518 -7.520 240 H ALA 31 H ALA 31 -6.668 13.887 -8.738 241 HA ALA 31 HA ALA 31 -4.843 12.847 -10.852 242 1HB ALA 31 1HB ALA 31 -5.665 12.017 -8.065 243 2HB ALA 31 2HB ALA 31 -4.751 10.931 -9.114 244 3HB ALA 31 3HB ALA 31 -4.064 12.484 -8.636 245 H ARG 32 H ARG 32 -8.097 13.070 -10.451 246 HA ARG 32 HA ARG 32 -9.064 10.398 -10.834 247 1HB ARG 32 1HB ARG 32 -11.110 11.488 -11.136 248 2HB ARG 32 2HB ARG 32 -10.193 12.720 -10.268 249 1HG ARG 32 1HG ARG 32 -10.451 14.128 -12.001 250 2HG ARG 32 2HG ARG 32 -9.593 12.993 -13.043 251 1HD ARG 32 1HD ARG 32 -11.526 12.561 -14.136 252 2HD ARG 32 2HD ARG 32 -12.244 11.979 -12.621 253 HE ARG 32 HE ARG 32 -12.096 14.916 -13.007 254 1HH1 ARG 32 1HH1 ARG 32 -13.805 13.509 -10.940 255 2HH1 ARG 32 2HH1 ARG 32 -15.377 13.620 -11.658 256 1HH2 ARG 32 1HH2 ARG 32 -14.173 14.409 -14.813 257 2HH2 ARG 32 2HH2 ARG 32 -15.586 14.129 -13.850 258 H ASP 33 H ASP 33 -7.242 12.404 -12.898 259 HA ASP 33 HA ASP 33 -7.819 10.593 -15.197 260 1HB ASP 33 1HB ASP 33 -7.843 13.630 -15.239 261 2HB ASP 33 2HB ASP 33 -8.027 12.593 -16.654 262 H ILE 34 H ILE 34 -5.548 10.250 -13.777 263 HA ILE 34 HA ILE 34 -3.439 11.639 -15.401 264 HB ILE 34 HB ILE 34 -3.807 11.167 -12.482 265 1HG1 ILE 34 1HG1 ILE 34 -2.370 13.259 -14.149 266 2HG1 ILE 34 2HG1 ILE 34 -3.988 13.413 -13.464 267 1HG2 ILE 34 1HG2 ILE 34 -1.102 11.074 -13.853 268 2HG2 ILE 34 2HG2 ILE 34 -1.346 11.234 -12.114 269 3HG2 ILE 34 3HG2 ILE 34 -1.854 9.763 -12.944 270 1HD1 ILE 34 1HD1 ILE 34 -2.831 12.926 -11.188 271 2HD1 ILE 34 2HD1 ILE 34 -1.338 13.339 -12.030 272 3HD1 ILE 34 3HD1 ILE 34 -2.632 14.530 -11.894 273 H LYS 35 H LYS 35 -2.593 10.101 -16.760 274 HA LYS 35 HA LYS 35 -2.653 7.243 -16.041 275 1HB LYS 35 1HB LYS 35 -1.803 8.898 -18.426 276 2HB LYS 35 2HB LYS 35 -1.553 7.152 -18.371 277 1HG LYS 35 1HG LYS 35 -3.645 7.245 -19.374 278 2HG LYS 35 2HG LYS 35 -4.109 7.136 -17.676 279 1HD LYS 35 1HD LYS 35 -4.224 9.630 -17.589 280 2HD LYS 35 2HD LYS 35 -3.891 9.672 -19.321 281 1HE LYS 35 1HE LYS 35 -6.247 9.750 -19.262 282 2HE LYS 35 2HE LYS 35 -5.941 8.013 -19.464 283 1HZ LYS 35 1HZ LYS 35 -6.119 9.316 -16.807 284 2HZ LYS 35 2HZ LYS 35 -7.465 8.625 -17.573 285 3HZ LYS 35 3HZ LYS 35 -6.136 7.654 -17.154 286 HA PRO 36 HA PRO 36 1.531 8.311 -14.431 287 1HB PRO 36 1HB PRO 36 1.379 6.661 -12.253 288 2HB PRO 36 2HB PRO 36 0.758 8.323 -12.250 289 1HG PRO 36 1HG PRO 36 -0.712 5.754 -12.542 290 2HG PRO 36 2HG PRO 36 -1.179 7.232 -11.686 291 1HD PRO 36 1HD PRO 36 -2.144 6.533 -14.146 292 2HD PRO 36 2HD PRO 36 -2.029 8.209 -13.569 293 H ILE 37 H ILE 37 3.267 7.143 -15.193 294 HA ILE 37 HA ILE 37 2.823 4.406 -16.205 295 HB ILE 37 HB ILE 37 5.222 6.269 -16.227 296 1HG1 ILE 37 1HG1 ILE 37 3.511 5.689 -18.615 297 2HG1 ILE 37 2HG1 ILE 37 2.901 6.825 -17.412 298 1HG2 ILE 37 1HG2 ILE 37 4.685 3.553 -17.335 299 2HG2 ILE 37 2HG2 ILE 37 5.555 4.684 -18.372 300 3HG2 ILE 37 3HG2 ILE 37 6.204 4.263 -16.787 301 1HD1 ILE 37 1HD1 ILE 37 5.655 7.034 -18.658 302 2HD1 ILE 37 2HD1 ILE 37 4.242 7.897 -19.268 303 3HD1 ILE 37 3HD1 ILE 37 4.847 8.231 -17.645 304 H VAL 38 H VAL 38 4.138 2.597 -15.524 305 HA VAL 38 HA VAL 38 5.556 2.965 -12.908 306 HB VAL 38 HB VAL 38 3.566 0.834 -13.752 307 1HG1 VAL 38 1HG1 VAL 38 5.246 1.114 -11.242 308 2HG1 VAL 38 2HG1 VAL 38 3.890 -0.001 -11.407 309 3HG1 VAL 38 3HG1 VAL 38 5.318 -0.195 -12.422 310 1HG2 VAL 38 1HG2 VAL 38 3.518 3.123 -11.775 311 2HG2 VAL 38 2HG2 VAL 38 2.386 2.795 -13.086 312 3HG2 VAL 38 3HG2 VAL 38 2.400 1.765 -11.655 313 H GLU 39 H GLU 39 7.656 2.343 -13.228 314 HA GLU 39 HA GLU 39 8.295 0.396 -15.386 315 1HB GLU 39 1HB GLU 39 9.378 2.744 -14.823 316 2HB GLU 39 2HB GLU 39 10.295 1.805 -13.644 317 1HG GLU 39 1HG GLU 39 11.165 0.356 -15.365 318 2HG GLU 39 2HG GLU 39 10.094 1.065 -16.574 319 H ILE 40 H ILE 40 8.885 -1.691 -14.898 320 HA ILE 40 HA ILE 40 9.398 -2.354 -12.016 321 HB ILE 40 HB ILE 40 8.216 -4.019 -14.263 322 1HG1 ILE 40 1HG1 ILE 40 6.833 -2.850 -11.832 323 2HG1 ILE 40 2HG1 ILE 40 6.826 -2.067 -13.413 324 1HG2 ILE 40 1HG2 ILE 40 8.595 -4.534 -11.300 325 2HG2 ILE 40 2HG2 ILE 40 7.576 -5.524 -12.345 326 3HG2 ILE 40 3HG2 ILE 40 9.313 -5.436 -12.635 327 1HD1 ILE 40 1HD1 ILE 40 6.015 -4.424 -14.258 328 2HD1 ILE 40 2HD1 ILE 40 5.538 -4.646 -12.575 329 3HD1 ILE 40 3HD1 ILE 40 4.860 -3.317 -13.515 330 H GLN 41 H GLN 41 11.321 -3.403 -11.571 331 HA GLN 41 HA GLN 41 12.866 -4.568 -13.854 332 1HB GLN 41 1HB GLN 41 13.467 -2.269 -12.087 333 2HB GLN 41 2HB GLN 41 14.798 -3.406 -12.305 334 1HG GLN 41 1HG GLN 41 14.587 -3.217 -14.745 335 2HG GLN 41 2HG GLN 41 13.223 -2.115 -14.553 336 1HE2 GLN 41 2HE2 GLN 41 14.838 -0.670 -15.862 337 2HE2 GLN 41 1HE2 GLN 41 15.926 0.261 -14.952 338 H GLN 42 H GLN 42 11.753 -6.461 -12.533 339 HA GLN 42 HA GLN 42 12.823 -7.142 -9.933 340 1HB GLN 42 1HB GLN 42 11.749 -9.335 -10.486 341 2HB GLN 42 2HB GLN 42 10.680 -7.963 -10.786 342 1HG GLN 42 1HG GLN 42 10.589 -8.402 -12.999 343 2HG GLN 42 2HG GLN 42 12.340 -8.585 -13.105 344 1HE2 GLN 42 2HE2 GLN 42 9.365 -10.363 -12.174 345 2HE2 GLN 42 1HE2 GLN 42 10.014 -11.906 -12.457 346 H LYS 43 H LYS 43 14.223 -9.083 -9.560 347 HA LYS 43 HA LYS 43 15.923 -9.987 -11.792 348 1HB LYS 43 1HB LYS 43 16.790 -8.094 -9.608 349 2HB LYS 43 2HB LYS 43 17.961 -9.147 -10.403 350 1HG LYS 43 1HG LYS 43 17.092 -8.240 -12.617 351 2HG LYS 43 2HG LYS 43 16.221 -7.027 -11.679 352 1HD LYS 43 1HD LYS 43 18.362 -6.306 -10.653 353 2HD LYS 43 2HD LYS 43 19.219 -7.483 -11.649 354 1HE LYS 43 1HE LYS 43 18.472 -6.353 -13.694 355 2HE LYS 43 2HE LYS 43 17.525 -5.202 -12.732 356 1HZ LYS 43 1HZ LYS 43 19.583 -4.613 -11.549 357 2HZ LYS 43 2HZ LYS 43 20.463 -5.624 -12.588 358 3HZ LYS 43 3HZ LYS 43 19.673 -4.254 -13.208 359 H GLY 44 H GLY 44 14.215 -11.472 -10.112 360 1HA GLY 44 1HA GLY 44 14.976 -13.755 -9.345 361 2HA GLY 44 2HA GLY 44 16.173 -12.911 -8.361 362 H ASP 45 H ASP 45 15.536 -12.036 -6.384 363 HA ASP 45 HA ASP 45 12.717 -12.638 -5.558 364 1HB ASP 45 1HB ASP 45 15.415 -12.715 -4.243 365 2HB ASP 45 2HB ASP 45 13.985 -12.471 -3.240 366 H ASP 46 H ASP 46 14.747 -10.095 -6.375 367 HA ASP 46 HA ASP 46 13.447 -8.197 -4.460 368 1HB ASP 46 1HB ASP 46 15.889 -8.011 -6.256 369 2HB ASP 46 2HB ASP 46 15.327 -6.713 -5.202 370 H PHE 47 H PHE 47 12.357 -6.349 -5.301 371 HA PHE 47 HA PHE 47 11.904 -6.324 -8.266 372 1HB PHE 47 1HB PHE 47 9.899 -6.042 -6.003 373 2HB PHE 47 2HB PHE 47 9.515 -5.846 -7.713 374 HD1 PHE 47 HD1 PHE 47 11.016 -8.284 -5.299 375 HD2 PHE 47 HD2 PHE 47 8.929 -7.713 -9.010 376 HE1 PHE 47 HE1 PHE 47 10.737 -10.737 -5.519 377 HE2 PHE 47 HE2 PHE 47 8.650 -10.167 -9.230 378 HZ PHE 47 HZ PHE 47 9.554 -11.680 -7.485 379 H VAL 48 H VAL 48 11.586 -4.221 -9.149 380 HA VAL 48 HA VAL 48 12.012 -1.938 -7.247 381 HB VAL 48 HB VAL 48 13.155 -2.417 -10.020 382 1HG1 VAL 48 1HG1 VAL 48 13.295 -0.086 -8.104 383 2HG1 VAL 48 2HG1 VAL 48 14.544 -0.355 -9.321 384 3HG1 VAL 48 3HG1 VAL 48 12.874 -0.072 -9.818 385 1HG2 VAL 48 1HG2 VAL 48 14.439 -2.368 -7.269 386 2HG2 VAL 48 2HG2 VAL 48 14.213 -3.795 -8.280 387 3HG2 VAL 48 3HG2 VAL 48 15.315 -2.516 -8.792 388 H VAL 49 H VAL 49 9.863 -1.178 -7.251 389 HA VAL 49 HA VAL 49 8.548 -0.712 -9.890 390 HB VAL 49 HB VAL 49 7.536 -0.592 -7.028 391 1HG1 VAL 49 1HG1 VAL 49 6.366 0.108 -9.636 392 2HG1 VAL 49 2HG1 VAL 49 5.381 -1.008 -8.692 393 3HG1 VAL 49 3HG1 VAL 49 5.842 0.554 -8.013 394 1HG2 VAL 49 1HG2 VAL 49 8.242 -2.814 -8.560 395 2HG2 VAL 49 2HG2 VAL 49 7.172 -2.822 -7.159 396 3HG2 VAL 49 3HG2 VAL 49 6.498 -2.685 -8.783 397 H THR 50 H THR 50 8.344 1.366 -10.661 398 HA THR 50 HA THR 50 8.799 3.636 -8.758 399 HB THR 50 HB THR 50 9.980 3.172 -11.516 400 HG1 THR 50 HG1 THR 50 11.572 2.420 -10.406 401 1HG2 THR 50 1HG2 THR 50 11.273 5.338 -10.674 402 2HG2 THR 50 2HG2 THR 50 9.735 5.471 -11.527 403 3HG2 THR 50 3HG2 THR 50 9.780 5.589 -9.768 404 H SER 51 H SER 51 6.783 4.602 -8.763 405 HA SER 51 HA SER 51 5.214 4.737 -11.278 406 1HB SER 51 1HB SER 51 4.629 5.614 -8.431 407 2HB SER 51 2HB SER 51 3.452 5.527 -9.739 408 HG SER 51 HG SER 51 3.567 3.658 -8.294 409 H LYS 52 H LYS 52 5.032 6.621 -12.460 410 HA LYS 52 HA LYS 52 6.121 9.140 -11.246 411 1HB LYS 52 1HB LYS 52 6.451 7.926 -14.004 412 2HB LYS 52 2HB LYS 52 6.899 9.591 -13.629 413 1HG LYS 52 1HG LYS 52 8.425 8.775 -11.859 414 2HG LYS 52 2HG LYS 52 7.993 7.113 -12.263 415 1HD LYS 52 1HD LYS 52 9.125 9.039 -14.302 416 2HD LYS 52 2HD LYS 52 10.145 7.985 -13.323 417 1HE LYS 52 1HE LYS 52 8.286 6.191 -14.233 418 2HE LYS 52 2HE LYS 52 8.402 7.302 -15.613 419 1HZ LYS 52 1HZ LYS 52 10.783 6.262 -14.184 420 2HZ LYS 52 2HZ LYS 52 10.127 5.486 -15.542 421 3HZ LYS 52 3HZ LYS 52 10.734 7.067 -15.679 422 H THR 53 H THR 53 4.626 10.771 -11.262 423 HA THR 53 HA THR 53 2.255 10.497 -13.072 424 HB THR 53 HB THR 53 1.127 11.852 -11.366 425 HG1 THR 53 HG1 THR 53 2.220 12.876 -9.860 426 1HG2 THR 53 1HG2 THR 53 2.816 9.701 -10.060 427 2HG2 THR 53 2HG2 THR 53 1.254 10.294 -9.497 428 3HG2 THR 53 3HG2 THR 53 1.362 9.393 -11.010 429 HA PRO 54 HA PRO 54 3.253 14.234 -15.140 430 1HB PRO 54 1HB PRO 54 0.855 15.545 -15.271 431 2HB PRO 54 2HB PRO 54 1.216 14.095 -16.229 432 1HG PRO 54 1HG PRO 54 -0.369 14.364 -13.726 433 2HG PRO 54 2HG PRO 54 -0.648 13.329 -15.135 434 1HD PRO 54 1HD PRO 54 0.428 12.439 -12.784 435 2HD PRO 54 2HD PRO 54 0.740 11.685 -14.364 436 H ARG 55 H ARG 55 2.267 14.291 -11.909 437 HA ARG 55 HA ARG 55 2.917 17.212 -11.671 438 1HB ARG 55 1HB ARG 55 0.578 16.622 -11.147 439 2HB ARG 55 2HB ARG 55 1.138 15.423 -9.980 440 1HG ARG 55 1HG ARG 55 2.387 17.360 -8.841 441 2HG ARG 55 2HG ARG 55 1.397 18.429 -9.835 442 1HD ARG 55 1HD ARG 55 -0.576 17.844 -8.739 443 2HD ARG 55 2HD ARG 55 0.048 16.255 -8.253 444 HE ARG 55 HE ARG 55 0.676 18.833 -6.926 445 1HH1 ARG 55 1HH1 ARG 55 3.199 17.349 -7.006 446 2HH1 ARG 55 2HH1 ARG 55 3.105 16.322 -5.613 447 1HH2 ARG 55 1HH2 ARG 55 -0.323 16.687 -5.247 448 2HH2 ARG 55 2HH2 ARG 55 1.111 15.948 -4.617 449 H GLN 56 H GLN 56 3.577 13.957 -10.579 450 HA GLN 56 HA GLN 56 6.011 14.866 -9.206 451 1HB GLN 56 1HB GLN 56 5.289 13.980 -7.016 452 2HB GLN 56 2HB GLN 56 4.196 15.253 -7.560 453 1HG GLN 56 1HG GLN 56 2.471 13.772 -8.014 454 2HG GLN 56 2HG GLN 56 3.569 12.423 -8.310 455 1HE2 GLN 56 2HE2 GLN 56 3.118 10.883 -6.718 456 2HE2 GLN 56 1HE2 GLN 56 2.963 11.221 -5.061 457 H THR 57 H THR 57 7.252 12.928 -8.373 458 HA THR 57 HA THR 57 6.441 10.385 -9.740 459 HB THR 57 HB THR 57 8.969 10.214 -10.218 460 HG1 THR 57 HG1 THR 57 9.543 11.903 -8.780 461 1HG2 THR 57 1HG2 THR 57 7.809 12.586 -11.628 462 2HG2 THR 57 2HG2 THR 57 8.656 11.191 -12.297 463 3HG2 THR 57 3HG2 THR 57 6.983 11.034 -11.762 464 H VAL 58 H VAL 58 6.562 8.643 -8.369 465 HA VAL 58 HA VAL 58 8.259 8.906 -5.906 466 HB VAL 58 HB VAL 58 5.521 7.633 -6.234 467 1HG1 VAL 58 1HG1 VAL 58 7.199 6.724 -4.479 468 2HG1 VAL 58 2HG1 VAL 58 6.949 8.261 -3.650 469 3HG1 VAL 58 3HG1 VAL 58 5.588 7.170 -3.918 470 1HG2 VAL 58 1HG2 VAL 58 6.468 10.333 -5.357 471 2HG2 VAL 58 2HG2 VAL 58 5.012 9.893 -6.248 472 3HG2 VAL 58 3HG2 VAL 58 5.096 9.621 -4.508 473 H THR 59 H THR 59 9.747 7.272 -5.774 474 HA THR 59 HA THR 59 9.276 4.796 -7.397 475 HB THR 59 HB THR 59 11.222 6.326 -7.902 476 HG1 THR 59 HG1 THR 59 11.358 4.142 -8.420 477 1HG2 THR 59 1HG2 THR 59 12.405 5.290 -5.330 478 2HG2 THR 59 2HG2 THR 59 12.985 6.603 -6.355 479 3HG2 THR 59 3HG2 THR 59 11.528 6.820 -5.385 480 H ASN 60 H ASN 60 9.556 2.769 -6.375 481 HA ASN 60 HA ASN 60 10.193 2.779 -3.453 482 1HB ASN 60 1HB ASN 60 7.791 1.542 -4.839 483 2HB ASN 60 2HB ASN 60 8.200 1.296 -3.141 484 1HD2 ASN 60 2HD2 ASN 60 7.359 3.872 -5.497 485 2HD2 ASN 60 1HD2 ASN 60 6.725 4.938 -4.338 486 H SER 61 H SER 61 11.288 0.907 -2.789 487 HA SER 61 HA SER 61 11.578 -1.317 -4.766 488 1HB SER 61 1HB SER 61 13.754 0.277 -3.380 489 2HB SER 61 2HB SER 61 14.051 -1.232 -4.237 490 HG SER 61 HG SER 61 14.090 1.075 -5.304 491 H PHE 62 H PHE 62 11.521 -3.311 -3.766 492 HA PHE 62 HA PHE 62 12.185 -3.520 -0.874 493 1HB PHE 62 1HB PHE 62 9.986 -4.573 -0.443 494 2HB PHE 62 2HB PHE 62 9.786 -2.933 -1.058 495 HD1 PHE 62 HD1 PHE 62 9.484 -6.521 -1.848 496 HD2 PHE 62 HD2 PHE 62 8.945 -2.517 -3.309 497 HE1 PHE 62 HE1 PHE 62 8.145 -7.393 -3.744 498 HE2 PHE 62 HE2 PHE 62 7.606 -3.390 -5.207 499 HZ PHE 62 HZ PHE 62 7.206 -5.828 -5.423 500 H THR 63 H THR 63 12.071 -5.927 -0.217 501 HA THR 63 HA THR 63 12.952 -7.624 -2.532 502 HB THR 63 HB THR 63 13.723 -7.702 0.405 503 HG1 THR 63 HG1 THR 63 15.115 -6.797 -1.895 504 1HG2 THR 63 1HG2 THR 63 15.639 -9.105 -0.762 505 2HG2 THR 63 2HG2 THR 63 14.115 -9.871 -0.317 506 3HG2 THR 63 3HG2 THR 63 14.398 -9.375 -1.985 507 H LEU 64 H LEU 64 12.225 -9.826 -2.531 508 HA LEU 64 HA LEU 64 9.627 -10.256 -1.231 509 1HB LEU 64 1HB LEU 64 10.659 -10.928 -3.609 510 2HB LEU 64 2HB LEU 64 11.119 -12.379 -2.718 511 HG LEU 64 HG LEU 64 8.644 -12.356 -1.887 512 1HD1 LEU 64 1HD1 LEU 64 8.515 -10.628 -4.376 513 2HD1 LEU 64 2HD1 LEU 64 7.113 -11.388 -3.622 514 3HD1 LEU 64 3HD1 LEU 64 8.031 -10.165 -2.745 515 1HD2 LEU 64 1HD2 LEU 64 9.385 -13.022 -4.755 516 2HD2 LEU 64 2HD2 LEU 64 9.580 -14.083 -3.360 517 3HD2 LEU 64 3HD2 LEU 64 7.965 -13.638 -3.910 518 H GLY 65 H GLY 65 9.501 -11.091 0.813 519 1HA GLY 65 1HA GLY 65 9.888 -12.995 2.308 520 2HA GLY 65 2HA GLY 65 11.503 -13.153 1.614 521 H LYS 66 H LYS 66 10.705 -9.906 2.092 522 HA LYS 66 HA LYS 66 11.742 -9.824 4.878 523 1HB LYS 66 1HB LYS 66 13.659 -9.876 3.254 524 2HB LYS 66 2HB LYS 66 13.037 -8.389 2.539 525 1HG LYS 66 1HG LYS 66 13.202 -7.298 4.787 526 2HG LYS 66 2HG LYS 66 13.962 -8.766 5.401 527 1HD LYS 66 1HD LYS 66 15.786 -8.531 3.778 528 2HD LYS 66 2HD LYS 66 15.017 -7.094 3.102 529 1HE LYS 66 1HE LYS 66 16.755 -6.375 4.660 530 2HE LYS 66 2HE LYS 66 15.178 -6.032 5.399 531 1HZ LYS 66 1HZ LYS 66 16.713 -8.543 5.814 532 2HZ LYS 66 2HZ LYS 66 16.709 -7.239 6.904 533 3HZ LYS 66 3HZ LYS 66 15.275 -8.089 6.595 534 H GLU 67 H GLU 67 11.140 -7.892 5.954 535 HA GLU 67 HA GLU 67 8.857 -6.462 4.922 536 1HB GLU 67 1HB GLU 67 9.394 -6.928 7.317 537 2HB GLU 67 2HB GLU 67 10.751 -5.806 7.202 538 1HG GLU 67 1HG GLU 67 9.191 -3.985 6.597 539 2HG GLU 67 2HG GLU 67 7.837 -5.106 6.737 540 H ALA 68 H ALA 68 8.868 -4.717 3.561 541 HA ALA 68 HA ALA 68 11.380 -3.081 3.379 542 1HB ALA 68 1HB ALA 68 9.658 -4.436 1.362 543 2HB ALA 68 2HB ALA 68 10.285 -2.848 0.920 544 3HB ALA 68 3HB ALA 68 11.398 -4.150 1.339 545 H ASP 69 H ASP 69 11.052 -0.821 3.128 546 HA ASP 69 HA ASP 69 8.453 0.188 4.067 547 1HB ASP 69 1HB ASP 69 11.054 1.534 3.262 548 2HB ASP 69 2HB ASP 69 9.713 2.331 4.087 549 H ILE 70 H ILE 70 6.946 1.252 2.787 550 HA ILE 70 HA ILE 70 7.663 1.713 -0.091 551 HB ILE 70 HB ILE 70 5.255 0.443 1.223 552 1HG1 ILE 70 1HG1 ILE 70 7.111 -1.039 0.615 553 2HG1 ILE 70 2HG1 ILE 70 5.745 -1.325 -0.465 554 1HG2 ILE 70 1HG2 ILE 70 4.546 2.194 -0.445 555 2HG2 ILE 70 2HG2 ILE 70 5.463 1.319 -1.672 556 3HG2 ILE 70 3HG2 ILE 70 4.079 0.552 -0.893 557 1HD1 ILE 70 1HD1 ILE 70 6.856 0.389 -2.036 558 2HD1 ILE 70 2HD1 ILE 70 8.296 0.185 -1.040 559 3HD1 ILE 70 3HD1 ILE 70 7.622 -1.195 -1.909 560 H THR 71 H THR 71 6.810 3.627 -0.991 561 HA THR 71 HA THR 71 5.364 5.437 0.919 562 HB THR 71 HB THR 71 7.673 6.114 0.479 563 HG1 THR 71 HG1 THR 71 6.576 7.930 0.559 564 1HG2 THR 71 1HG2 THR 71 8.210 6.738 -1.966 565 2HG2 THR 71 2HG2 THR 71 8.215 5.025 -1.550 566 3HG2 THR 71 3HG2 THR 71 6.832 5.725 -2.392 567 H THR 72 H THR 72 3.400 6.178 0.192 568 HA THR 72 HA THR 72 2.441 5.355 -2.464 569 HB THR 72 HB THR 72 0.315 6.230 -1.586 570 HG1 THR 72 HG1 THR 72 0.987 8.041 -0.521 571 1HG2 THR 72 1HG2 THR 72 1.317 5.016 0.893 572 2HG2 THR 72 2HG2 THR 72 0.057 4.453 -0.206 573 3HG2 THR 72 3HG2 THR 72 1.753 4.115 -0.559 574 H MET 73 H MET 73 1.458 6.959 -3.956 575 HA MET 73 HA MET 73 3.180 9.259 -4.387 576 1HB MET 73 1HB MET 73 0.806 7.946 -5.649 577 2HB MET 73 2HB MET 73 1.180 9.600 -6.128 578 1HG MET 73 1HG MET 73 2.907 8.906 -7.392 579 2HG MET 73 2HG MET 73 3.600 8.022 -6.033 580 1HE MET 73 1HE MET 73 0.711 8.178 -8.418 581 2HE MET 73 2HE MET 73 1.959 7.634 -9.535 582 3HE MET 73 3HE MET 73 0.590 6.581 -9.153 583 H ASP 74 H ASP 74 0.381 8.734 -2.487 584 HA ASP 74 HA ASP 74 -0.582 11.525 -2.646 585 1HB ASP 74 1HB ASP 74 -2.310 10.658 -1.123 586 2HB ASP 74 2HB ASP 74 -2.094 9.554 -2.481 587 H GLY 75 H GLY 75 1.787 9.799 -0.918 588 1HA GLY 75 1HA GLY 75 3.294 10.950 0.606 589 2HA GLY 75 2HA GLY 75 1.966 12.017 1.060 590 H LYS 76 H LYS 76 2.278 8.452 0.932 591 HA LYS 76 HA LYS 76 1.510 8.401 3.832 592 1HB LYS 76 1HB LYS 76 0.020 7.609 1.579 593 2HB LYS 76 2HB LYS 76 0.604 6.108 2.298 594 1HG LYS 76 1HG LYS 76 -0.168 7.193 4.553 595 2HG LYS 76 2HG LYS 76 -1.151 8.225 3.512 596 1HD LYS 76 1HD LYS 76 -2.095 6.167 2.446 597 2HD LYS 76 2HD LYS 76 -1.203 5.195 3.616 598 1HE LYS 76 1HE LYS 76 -2.416 6.237 5.470 599 2HE LYS 76 2HE LYS 76 -3.262 7.312 4.339 600 1HZ LYS 76 1HZ LYS 76 -3.301 4.350 4.138 601 2HZ LYS 76 2HZ LYS 76 -4.515 5.248 4.910 602 3HZ LYS 76 3HZ LYS 76 -4.236 5.454 3.247 603 H LYS 77 H LYS 77 2.952 7.225 5.038 604 HA LYS 77 HA LYS 77 4.900 5.475 3.596 605 1HB LYS 77 1HB LYS 77 5.660 7.418 4.995 606 2HB LYS 77 2HB LYS 77 4.944 6.633 6.402 607 1HG LYS 77 1HG LYS 77 6.419 4.711 6.137 608 2HG LYS 77 2HG LYS 77 7.077 5.385 4.645 609 1HD LYS 77 1HD LYS 77 8.661 5.928 6.346 610 2HD LYS 77 2HD LYS 77 7.768 7.418 6.033 611 1HE LYS 77 1HE LYS 77 6.574 7.281 8.047 612 2HE LYS 77 2HE LYS 77 6.820 5.529 8.185 613 1HZ LYS 77 1HZ LYS 77 9.241 6.000 8.357 614 2HZ LYS 77 2HZ LYS 77 8.876 7.653 8.462 615 3HZ LYS 77 3HZ LYS 77 8.337 6.587 9.671 616 H LEU 78 H LEU 78 5.061 3.290 4.141 617 HA LEU 78 HA LEU 78 3.864 2.171 6.550 618 1HB LEU 78 1HB LEU 78 2.036 0.994 5.402 619 2HB LEU 78 2HB LEU 78 1.885 2.733 5.138 620 HG LEU 78 HG LEU 78 3.581 1.552 3.111 621 1HD1 LEU 78 1HD1 LEU 78 1.444 -0.122 3.958 622 2HD1 LEU 78 2HD1 LEU 78 0.965 0.589 2.416 623 3HD1 LEU 78 3HD1 LEU 78 2.472 -0.320 2.539 624 1HD2 LEU 78 1HD2 LEU 78 0.901 2.974 3.092 625 2HD2 LEU 78 2HD2 LEU 78 2.487 3.711 2.866 626 3HD2 LEU 78 3HD2 LEU 78 1.841 2.617 1.644 627 H LYS 79 H LYS 79 4.288 -0.147 6.694 628 HA LYS 79 HA LYS 79 6.432 -1.039 4.808 629 1HB LYS 79 1HB LYS 79 5.674 -2.172 7.512 630 2HB LYS 79 2HB LYS 79 7.209 -2.344 6.661 631 1HG LYS 79 1HG LYS 79 7.801 -0.079 7.037 632 2HG LYS 79 2HG LYS 79 6.152 0.362 7.483 633 1HD LYS 79 1HD LYS 79 6.342 -1.117 9.487 634 2HD LYS 79 2HD LYS 79 8.027 -1.422 9.064 635 1HE LYS 79 1HE LYS 79 7.388 1.442 9.099 636 2HE LYS 79 2HE LYS 79 7.154 0.659 10.675 637 1HZ LYS 79 1HZ LYS 79 9.555 0.315 8.957 638 2HZ LYS 79 2HZ LYS 79 9.479 1.352 10.298 639 3HZ LYS 79 3HZ LYS 79 9.325 -0.326 10.514 640 H CYS 80 H CYS 80 6.422 -3.441 4.344 641 HA CYS 80 HA CYS 80 4.079 -5.061 4.732 642 1HB CYS 80 1HB CYS 80 3.147 -4.833 2.440 643 2HB CYS 80 2HB CYS 80 3.102 -3.300 3.311 644 HG CYS 80 HG CYS 80 5.392 -2.703 1.989 645 H THR 81 H THR 81 4.565 -7.171 4.109 646 HA THR 81 HA THR 81 7.226 -7.619 2.870 647 HB THR 81 HB THR 81 6.421 -10.052 3.563 648 HG1 THR 81 HG1 THR 81 4.422 -9.852 4.223 649 1HG2 THR 81 1HG2 THR 81 7.070 -9.423 5.984 650 2HG2 THR 81 2HG2 THR 81 8.249 -9.098 4.712 651 3HG2 THR 81 3HG2 THR 81 7.267 -7.784 5.361 652 H VAL 82 H VAL 82 7.097 -7.595 0.635 653 HA VAL 82 HA VAL 82 4.719 -8.512 -0.801 654 HB VAL 82 HB VAL 82 7.523 -7.801 -1.725 655 1HG1 VAL 82 1HG1 VAL 82 4.917 -8.328 -3.116 656 2HG1 VAL 82 2HG1 VAL 82 6.022 -7.134 -3.796 657 3HG1 VAL 82 3HG1 VAL 82 6.548 -8.804 -3.586 658 1HG2 VAL 82 1HG2 VAL 82 5.697 -6.175 -0.424 659 2HG2 VAL 82 2HG2 VAL 82 6.979 -5.610 -1.496 660 3HG2 VAL 82 3HG2 VAL 82 5.351 -5.866 -2.126 661 H HIS 83 H HIS 83 4.462 -10.502 -1.829 662 HA HIS 83 HA HIS 83 6.765 -12.392 -1.891 663 1HB HIS 83 1HB HIS 83 5.315 -14.106 -0.807 664 2HB HIS 83 2HB HIS 83 5.596 -12.719 0.246 665 HD1 HIS 83 HD1 HIS 83 3.575 -11.405 0.999 666 HD2 HIS 83 HD2 HIS 83 2.670 -14.058 -2.087 667 HE1 HIS 83 HE1 HIS 83 1.056 -11.370 0.740 668 H LEU 84 H LEU 84 6.293 -14.273 -3.316 669 HA LEU 84 HA LEU 84 4.386 -13.520 -5.489 670 1HB LEU 84 1HB LEU 84 6.947 -15.062 -5.240 671 2HB LEU 84 2HB LEU 84 5.866 -15.434 -6.583 672 HG LEU 84 HG LEU 84 6.796 -12.628 -5.921 673 1HD1 LEU 84 1HD1 LEU 84 8.039 -14.815 -7.523 674 2HD1 LEU 84 2HD1 LEU 84 8.078 -13.191 -8.210 675 3HD1 LEU 84 3HD1 LEU 84 8.806 -13.499 -6.633 676 1HD2 LEU 84 1HD2 LEU 84 5.409 -13.892 -8.305 677 2HD2 LEU 84 2HD2 LEU 84 4.730 -12.699 -7.198 678 3HD2 LEU 84 3HD2 LEU 84 6.038 -12.245 -8.291 679 H ALA 85 H ALA 85 2.624 -14.825 -5.901 680 HA ALA 85 HA ALA 85 2.550 -17.550 -4.664 681 1HB ALA 85 1HB ALA 85 0.487 -15.330 -4.521 682 2HB ALA 85 2HB ALA 85 0.182 -16.989 -4.005 683 3HB ALA 85 3HB ALA 85 1.396 -16.017 -3.174 684 H ASN 86 H ASN 86 2.149 -18.980 -6.304 685 HA ASN 86 HA ASN 86 1.260 -19.883 -8.299 686 1HB ASN 86 1HB ASN 86 -0.767 -17.714 -7.663 687 2HB ASN 86 2HB ASN 86 -1.024 -19.006 -8.835 688 1HD2 ASN 86 2HD2 ASN 86 -2.172 -18.329 -5.967 689 2HD2 ASN 86 1HD2 ASN 86 -2.110 -19.833 -5.184 690 H GLY 87 H GLY 87 3.208 -17.617 -8.412 691 1HA GLY 87 1HA GLY 87 4.216 -16.412 -10.167 692 2HA GLY 87 2HA GLY 87 2.970 -17.043 -11.245 693 H LYS 88 H LYS 88 2.613 -15.097 -8.280 694 HA LYS 88 HA LYS 88 1.782 -12.737 -9.850 695 1HB LYS 88 1HB LYS 88 -0.077 -14.465 -8.197 696 2HB LYS 88 2HB LYS 88 -0.478 -12.810 -8.656 697 1HG LYS 88 1HG LYS 88 -0.199 -13.404 -11.039 698 2HG LYS 88 2HG LYS 88 0.180 -15.064 -10.575 699 1HD LYS 88 1HD LYS 88 -2.419 -13.630 -9.954 700 2HD LYS 88 2HD LYS 88 -2.198 -14.822 -11.235 701 1HE LYS 88 1HE LYS 88 -2.414 -16.538 -9.768 702 2HE LYS 88 2HE LYS 88 -1.220 -15.818 -8.667 703 1HZ LYS 88 1HZ LYS 88 -2.918 -14.244 -7.935 704 2HZ LYS 88 2HZ LYS 88 -4.062 -14.989 -8.941 705 3HZ LYS 88 3HZ LYS 88 -3.399 -15.845 -7.632 706 H LEU 89 H LEU 89 2.661 -11.047 -8.727 707 HA LEU 89 HA LEU 89 3.671 -11.267 -6.043 708 1HB LEU 89 1HB LEU 89 4.281 -9.708 -8.032 709 2HB LEU 89 2HB LEU 89 2.947 -8.703 -7.464 710 HG LEU 89 HG LEU 89 4.875 -9.620 -5.397 711 1HD1 LEU 89 1HD1 LEU 89 6.131 -8.856 -7.581 712 2HD1 LEU 89 2HD1 LEU 89 5.628 -7.243 -7.072 713 3HD1 LEU 89 3HD1 LEU 89 6.642 -8.226 -6.015 714 1HD2 LEU 89 1HD2 LEU 89 3.149 -7.251 -6.020 715 2HD2 LEU 89 2HD2 LEU 89 3.274 -8.181 -4.526 716 3HD2 LEU 89 3HD2 LEU 89 4.534 -7.023 -4.952 717 H VAL 90 H VAL 90 2.673 -10.806 -4.096 718 HA VAL 90 HA VAL 90 0.044 -9.391 -4.127 719 HB VAL 90 HB VAL 90 0.681 -12.115 -2.951 720 1HG1 VAL 90 1HG1 VAL 90 -1.499 -10.146 -2.404 721 2HG1 VAL 90 2HG1 VAL 90 -1.940 -11.852 -2.493 722 3HG1 VAL 90 3HG1 VAL 90 -0.741 -11.312 -1.318 723 1HG2 VAL 90 1HG2 VAL 90 -0.960 -11.086 -5.247 724 2HG2 VAL 90 2HG2 VAL 90 0.107 -12.490 -5.180 725 3HG2 VAL 90 3HG2 VAL 90 -1.478 -12.551 -4.410 726 H THR 91 H THR 91 0.327 -7.721 -2.700 727 HA THR 91 HA THR 91 2.104 -8.156 -0.328 728 HB THR 91 HB THR 91 1.183 -5.663 -1.796 729 HG1 THR 91 HG1 THR 91 3.641 -7.060 -1.642 730 1HG2 THR 91 1HG2 THR 91 3.249 -4.843 -0.271 731 2HG2 THR 91 2HG2 THR 91 1.573 -4.752 0.270 732 3HG2 THR 91 3HG2 THR 91 2.593 -6.095 0.783 733 H LYS 92 H LYS 92 0.533 -9.024 1.123 734 HA LYS 92 HA LYS 92 -2.003 -7.552 1.544 735 1HB LYS 92 1HB LYS 92 -2.476 -9.474 3.017 736 2HB LYS 92 2HB LYS 92 -1.885 -10.032 1.451 737 1HG LYS 92 1HG LYS 92 0.403 -10.221 2.410 738 2HG LYS 92 2HG LYS 92 -0.240 -9.746 3.982 739 1HD LYS 92 1HD LYS 92 -1.835 -11.704 3.815 740 2HD LYS 92 2HD LYS 92 -0.936 -12.227 2.390 741 1HE LYS 92 1HE LYS 92 0.704 -11.599 4.794 742 2HE LYS 92 2HE LYS 92 -0.292 -13.066 4.878 743 1HZ LYS 92 1HZ LYS 92 0.551 -13.541 2.557 744 2HZ LYS 92 2HZ LYS 92 1.719 -12.342 2.827 745 3HZ LYS 92 3HZ LYS 92 1.681 -13.726 3.813 746 H SER 93 H SER 93 -2.554 -6.669 3.644 747 HA SER 93 HA SER 93 -0.329 -6.358 5.602 748 1HB SER 93 1HB SER 93 -0.201 -4.499 3.972 749 2HB SER 93 2HB SER 93 -1.884 -4.099 4.296 750 HG SER 93 HG SER 93 0.003 -3.017 5.502 751 H GLU 94 H GLU 94 -1.576 -4.494 7.256 752 HA GLU 94 HA GLU 94 -3.934 -6.054 8.216 753 1HB GLU 94 1HB GLU 94 -1.879 -4.215 9.436 754 2HB GLU 94 2HB GLU 94 -3.372 -4.585 10.300 755 1HG GLU 94 1HG GLU 94 -1.393 -6.632 9.254 756 2HG GLU 94 2HG GLU 94 -1.568 -6.147 10.941 757 H LYS 95 H LYS 95 -4.115 -4.074 6.003 758 HA LYS 95 HA LYS 95 -6.449 -2.626 6.893 759 1HB LYS 95 1HB LYS 95 -5.447 -0.368 6.858 760 2HB LYS 95 2HB LYS 95 -4.659 -1.377 8.071 761 1HG LYS 95 1HG LYS 95 -2.673 -1.356 6.971 762 2HG LYS 95 2HG LYS 95 -3.442 -1.555 5.396 763 1HD LYS 95 1HD LYS 95 -3.893 0.771 5.202 764 2HD LYS 95 2HD LYS 95 -3.567 1.054 6.912 765 1HE LYS 95 1HE LYS 95 -1.198 -0.091 5.991 766 2HE LYS 95 2HE LYS 95 -1.691 0.992 4.672 767 1HZ LYS 95 1HZ LYS 95 -1.711 1.769 7.537 768 2HZ LYS 95 2HZ LYS 95 -0.424 2.114 6.484 769 3HZ LYS 95 3HZ LYS 95 -1.961 2.780 6.198 770 H PHE 96 H PHE 96 -4.510 -3.900 4.550 771 HA PHE 96 HA PHE 96 -6.207 -3.118 2.369 772 1HB PHE 96 1HB PHE 96 -4.825 -1.485 1.286 773 2HB PHE 96 2HB PHE 96 -4.925 -0.985 2.973 774 HD1 PHE 96 HD1 PHE 96 -2.877 -3.473 1.039 775 HD2 PHE 96 HD2 PHE 96 -2.908 -0.197 3.816 776 HE1 PHE 96 HE1 PHE 96 -0.408 -3.610 1.228 777 HE2 PHE 96 HE2 PHE 96 -0.439 -0.333 4.005 778 HZ PHE 96 HZ PHE 96 0.811 -2.040 2.710 779 H SER 97 H SER 97 -5.671 -4.311 0.475 780 HA SER 97 HA SER 97 -3.264 -6.092 0.716 781 1HB SER 97 1HB SER 97 -6.014 -6.676 -0.429 782 2HB SER 97 2HB SER 97 -4.684 -7.824 -0.315 783 HG SER 97 HG SER 97 -4.882 -7.854 1.851 784 H HIS 98 H HIS 98 -2.382 -6.788 -1.394 785 HA HIS 98 HA HIS 98 -3.206 -5.118 -3.729 786 1HB HIS 98 1HB HIS 98 -1.378 -4.025 -2.381 787 2HB HIS 98 2HB HIS 98 -0.364 -5.430 -2.712 788 HD2 HIS 98 HD2 HIS 98 -1.500 -2.159 -4.478 789 HE1 HIS 98 HE1 HIS 98 0.589 -4.451 -7.359 790 HE2 HIS 98 HE2 HIS 98 -0.436 -2.208 -6.840 791 H GLU 99 H GLU 99 -2.896 -6.186 -5.706 792 HA GLU 99 HA GLU 99 -1.246 -8.636 -5.828 793 1HB GLU 99 1HB GLU 99 -4.269 -8.579 -6.100 794 2HB GLU 99 2HB GLU 99 -3.269 -9.956 -6.566 795 1HG GLU 99 1HG GLU 99 -2.348 -9.980 -4.218 796 2HG GLU 99 2HG GLU 99 -3.552 -8.761 -3.797 797 H GLN 100 H GLN 100 -0.246 -8.514 -7.796 798 HA GLN 100 HA GLN 100 -1.771 -7.327 -10.092 799 1HB GLN 100 1HB GLN 100 -0.134 -5.743 -9.203 800 2HB GLN 100 2HB GLN 100 1.130 -6.971 -9.273 801 1HG GLN 100 1HG GLN 100 0.887 -7.094 -11.722 802 2HG GLN 100 2HG GLN 100 -0.386 -5.875 -11.661 803 1HE2 GLN 100 2HE2 GLN 100 2.758 -6.012 -9.903 804 2HE2 GLN 100 1HE2 GLN 100 3.321 -4.524 -10.493 805 H GLU 101 H GLU 101 -1.052 -8.153 -12.209 806 HA GLU 101 HA GLU 101 0.738 -10.500 -12.254 807 1HB GLU 101 1HB GLU 101 -1.506 -11.289 -11.452 808 2HB GLU 101 2HB GLU 101 -2.207 -10.705 -12.962 809 1HG GLU 101 1HG GLU 101 -0.773 -12.217 -14.248 810 2HG GLU 101 2HG GLU 101 0.007 -12.768 -12.765 811 H VAL 102 H VAL 102 1.222 -11.150 -14.475 812 HA VAL 102 HA VAL 102 0.448 -9.078 -16.505 813 HB VAL 102 HB VAL 102 2.986 -10.727 -16.259 814 1HG1 VAL 102 1HG1 VAL 102 1.943 -8.722 -18.207 815 2HG1 VAL 102 2HG1 VAL 102 3.655 -8.634 -17.796 816 3HG1 VAL 102 3HG1 VAL 102 2.988 -10.116 -18.480 817 1HG2 VAL 102 1HG2 VAL 102 2.158 -8.565 -14.687 818 2HG2 VAL 102 2HG2 VAL 102 3.811 -9.150 -14.866 819 3HG2 VAL 102 3HG2 VAL 102 3.222 -7.845 -15.895 820 H LYS 103 H LYS 103 -0.329 -9.848 -18.470 821 HA LYS 103 HA LYS 103 -0.207 -12.802 -18.957 822 1HB LYS 103 1HB LYS 103 -2.570 -10.908 -18.994 823 2HB LYS 103 2HB LYS 103 -2.624 -12.504 -19.743 824 1HG LYS 103 1HG LYS 103 -1.948 -13.497 -17.541 825 2HG LYS 103 2HG LYS 103 -2.090 -11.892 -16.824 826 1HD LYS 103 1HD LYS 103 -4.463 -11.798 -17.561 827 2HD LYS 103 2HD LYS 103 -4.310 -13.438 -18.192 828 1HE LYS 103 1HE LYS 103 -4.020 -14.369 -16.021 829 2HE LYS 103 2HE LYS 103 -3.683 -12.780 -15.302 830 1HZ LYS 103 1HZ LYS 103 -5.922 -12.077 -15.951 831 2HZ LYS 103 2HZ LYS 103 -6.245 -13.635 -16.547 832 3HZ LYS 103 3HZ LYS 103 -5.972 -13.397 -14.887 833 H GLY 104 H GLY 104 1.425 -12.364 -20.590 834 1HA GLY 104 1HA GLY 104 1.884 -12.216 -22.918 835 2HA GLY 104 2HA GLY 104 0.273 -11.542 -23.164 836 H ASN 105 H ASN 105 0.057 -9.329 -23.295 837 HA ASN 105 HA ASN 105 2.517 -7.697 -22.743 838 1HB ASN 105 1HB ASN 105 0.589 -7.855 -25.031 839 2HB ASN 105 2HB ASN 105 1.327 -6.295 -24.669 840 1HD2 ASN 105 2HD2 ASN 105 1.985 -9.568 -25.817 841 2HD2 ASN 105 1HD2 ASN 105 3.591 -9.278 -26.282 842 H GLU 106 H GLU 106 -0.362 -8.325 -21.441 843 HA GLU 106 HA GLU 106 -1.030 -5.451 -20.897 844 1HB GLU 106 1HB GLU 106 -2.667 -8.001 -20.952 845 2HB GLU 106 2HB GLU 106 -3.295 -6.474 -20.332 846 1HG GLU 106 1HG GLU 106 -2.870 -5.397 -22.499 847 2HG GLU 106 2HG GLU 106 -2.192 -6.900 -23.126 848 H MET 107 H MET 107 -1.468 -4.889 -18.685 849 HA MET 107 HA MET 107 -0.518 -6.910 -16.676 850 1HB MET 107 1HB MET 107 0.412 -4.299 -17.409 851 2HB MET 107 2HB MET 107 -0.209 -4.221 -15.760 852 1HG MET 107 1HG MET 107 1.158 -6.531 -15.582 853 2HG MET 107 2HG MET 107 2.108 -5.745 -16.843 854 1HE MET 107 1HE MET 107 4.000 -6.162 -14.926 855 2HE MET 107 2HE MET 107 3.966 -5.383 -13.339 856 3HE MET 107 3HE MET 107 2.794 -6.637 -13.733 857 H VAL 108 H VAL 108 -1.869 -7.226 -14.916 858 HA VAL 108 HA VAL 108 -4.225 -5.385 -14.642 859 HB VAL 108 HB VAL 108 -4.027 -8.399 -14.318 860 1HG1 VAL 108 1HG1 VAL 108 -6.260 -6.417 -13.861 861 2HG1 VAL 108 2HG1 VAL 108 -6.590 -8.114 -14.211 862 3HG1 VAL 108 3HG1 VAL 108 -5.673 -7.673 -12.771 863 1HG2 VAL 108 1HG2 VAL 108 -3.979 -7.628 -16.666 864 2HG2 VAL 108 2HG2 VAL 108 -5.503 -8.437 -16.301 865 3HG2 VAL 108 3HG2 VAL 108 -5.437 -6.676 -16.384 866 H GLU 109 H GLU 109 -4.146 -4.371 -12.679 867 HA GLU 109 HA GLU 109 -2.706 -5.724 -10.428 868 1HB GLU 109 1HB GLU 109 -3.306 -2.856 -11.179 869 2HB GLU 109 2HB GLU 109 -2.723 -3.290 -9.572 870 1HG GLU 109 1HG GLU 109 -0.693 -4.214 -10.462 871 2HG GLU 109 2HG GLU 109 -1.304 -4.113 -12.115 872 H THR 110 H THR 110 -4.075 -6.637 -8.949 873 HA THR 110 HA THR 110 -6.819 -5.482 -8.632 874 HB THR 110 HB THR 110 -5.664 -8.186 -7.872 875 HG1 THR 110 HG1 THR 110 -6.020 -8.680 -9.862 876 1HG2 THR 110 1HG2 THR 110 -8.315 -8.575 -8.049 877 2HG2 THR 110 2HG2 THR 110 -7.535 -8.086 -6.545 878 3HG2 THR 110 3HG2 THR 110 -8.321 -6.879 -7.564 879 H ILE 111 H ILE 111 -6.975 -4.163 -6.858 880 HA ILE 111 HA ILE 111 -5.432 -4.926 -4.398 881 HB ILE 111 HB ILE 111 -6.153 -2.155 -5.405 882 1HG1 ILE 111 1HG1 ILE 111 -3.495 -3.617 -5.510 883 2HG1 ILE 111 2HG1 ILE 111 -4.547 -3.343 -6.899 884 1HG2 ILE 111 1HG2 ILE 111 -5.810 -2.437 -2.935 885 2HG2 ILE 111 2HG2 ILE 111 -4.189 -3.046 -3.272 886 3HG2 ILE 111 3HG2 ILE 111 -4.612 -1.385 -3.688 887 1HD1 ILE 111 1HD1 ILE 111 -3.402 -1.135 -5.164 888 2HD1 ILE 111 2HD1 ILE 111 -2.715 -1.646 -6.707 889 3HD1 ILE 111 3HD1 ILE 111 -4.328 -0.933 -6.652 890 H THR 112 H THR 112 -6.708 -5.182 -2.596 891 HA THR 112 HA THR 112 -9.563 -4.292 -2.776 892 HB THR 112 HB THR 112 -8.247 -6.396 -1.029 893 HG1 THR 112 HG1 THR 112 -8.222 -7.491 -2.805 894 1HG2 THR 112 1HG2 THR 112 -11.159 -6.027 -1.763 895 2HG2 THR 112 2HG2 THR 112 -10.487 -7.136 -0.567 896 3HG2 THR 112 3HG2 THR 112 -10.447 -5.396 -0.278 897 H PHE 113 H PHE 113 -10.294 -2.817 -1.269 898 HA PHE 113 HA PHE 113 -8.889 -2.456 1.301 899 1HB PHE 113 1HB PHE 113 -7.623 -1.180 -0.476 900 2HB PHE 113 2HB PHE 113 -9.074 -0.211 -0.731 901 HD1 PHE 113 HD1 PHE 113 -10.117 0.895 1.401 902 HD2 PHE 113 HD2 PHE 113 -6.076 -0.540 1.162 903 HE1 PHE 113 HE1 PHE 113 -9.493 2.335 3.321 904 HE2 PHE 113 HE2 PHE 113 -5.451 0.901 3.082 905 HZ PHE 113 HZ PHE 113 -7.160 2.339 4.162 906 H GLY 114 H GLY 114 -10.457 -1.995 2.797 907 1HA GLY 114 1HA GLY 114 -12.447 -1.157 3.726 908 2HA GLY 114 2HA GLY 114 -12.582 -0.103 2.318 909 H GLY 115 H GLY 115 -12.343 -3.619 2.144 910 1HA GLY 115 1HA GLY 115 -13.921 -5.226 1.464 911 2HA GLY 115 2HA GLY 115 -15.189 -4.072 1.878 912 H VAL 116 H VAL 116 -12.868 -2.733 -0.205 913 HA VAL 116 HA VAL 116 -14.692 -3.181 -2.546 914 HB VAL 116 HB VAL 116 -12.896 -0.850 -1.797 915 1HG1 VAL 116 1HG1 VAL 116 -13.251 -1.335 -4.285 916 2HG1 VAL 116 2HG1 VAL 116 -14.955 -0.976 -4.008 917 3HG1 VAL 116 3HG1 VAL 116 -13.735 0.268 -3.732 918 1HG2 VAL 116 1HG2 VAL 116 -15.904 -1.235 -1.744 919 2HG2 VAL 116 2HG2 VAL 116 -14.848 -0.959 -0.357 920 3HG2 VAL 116 3HG2 VAL 116 -15.106 0.324 -1.540 921 H THR 117 H THR 117 -13.746 -3.928 -4.440 922 HA THR 117 HA THR 117 -10.784 -4.400 -4.373 923 HB THR 117 HB THR 117 -13.004 -5.835 -5.868 924 HG1 THR 117 HG1 THR 117 -13.301 -6.574 -3.915 925 1HG2 THR 117 1HG2 THR 117 -11.243 -7.560 -6.217 926 2HG2 THR 117 2HG2 THR 117 -10.844 -6.026 -6.991 927 3HG2 THR 117 3HG2 THR 117 -10.068 -6.476 -5.472 928 H LEU 118 H LEU 118 -9.583 -3.429 -5.974 929 HA LEU 118 HA LEU 118 -11.073 -2.084 -8.202 930 1HB LEU 118 1HB LEU 118 -9.915 -0.611 -6.605 931 2HB LEU 118 2HB LEU 118 -8.407 -1.486 -6.878 932 HG LEU 118 HG LEU 118 -8.657 -0.884 -9.345 933 1HD1 LEU 118 1HD1 LEU 118 -11.124 -0.286 -9.025 934 2HD1 LEU 118 2HD1 LEU 118 -10.563 1.209 -8.277 935 3HD1 LEU 118 3HD1 LEU 118 -10.165 0.863 -9.960 936 1HD2 LEU 118 1HD2 LEU 118 -7.278 0.332 -7.459 937 2HD2 LEU 118 2HD2 LEU 118 -7.470 1.108 -9.032 938 3HD2 LEU 118 3HD2 LEU 118 -8.475 1.609 -7.673 939 H ILE 119 H ILE 119 -10.145 -2.230 -10.331 940 HA ILE 119 HA ILE 119 -8.021 -4.325 -10.654 941 HB ILE 119 HB ILE 119 -10.577 -3.887 -12.234 942 1HG1 ILE 119 1HG1 ILE 119 -9.719 -6.251 -10.540 943 2HG1 ILE 119 2HG1 ILE 119 -10.768 -4.961 -9.948 944 1HG2 ILE 119 1HG2 ILE 119 -8.550 -4.660 -13.554 945 2HG2 ILE 119 2HG2 ILE 119 -8.530 -6.099 -12.535 946 3HG2 ILE 119 3HG2 ILE 119 -9.918 -5.773 -13.573 947 1HD1 ILE 119 1HD1 ILE 119 -12.337 -5.435 -11.838 948 2HD1 ILE 119 2HD1 ILE 119 -11.322 -6.806 -12.289 949 3HD1 ILE 119 3HD1 ILE 119 -12.156 -6.799 -10.735 950 H ARG 120 H ARG 120 -6.382 -2.757 -11.096 951 HA ARG 120 HA ARG 120 -6.843 -0.704 -13.165 952 1HB ARG 120 1HB ARG 120 -5.387 -0.794 -10.894 953 2HB ARG 120 2HB ARG 120 -4.149 -1.304 -12.042 954 1HG ARG 120 1HG ARG 120 -4.370 0.696 -13.323 955 2HG ARG 120 2HG ARG 120 -5.866 1.142 -12.502 956 1HD ARG 120 1HD ARG 120 -4.334 2.496 -11.369 957 2HD ARG 120 2HD ARG 120 -4.295 1.049 -10.343 958 HE ARG 120 HE ARG 120 -2.441 0.571 -12.394 959 1HH1 ARG 120 1HH1 ARG 120 -2.695 3.618 -11.121 960 2HH1 ARG 120 2HH1 ARG 120 -1.142 3.644 -10.356 961 1HH2 ARG 120 1HH2 ARG 120 -0.536 0.269 -10.875 962 2HH2 ARG 120 2HH2 ARG 120 0.080 1.747 -10.216 963 H ARG 121 H ARG 121 -6.410 -1.076 -15.303 964 HA ARG 121 HA ARG 121 -4.797 -3.492 -16.023 965 1HB ARG 121 1HB ARG 121 -7.047 -1.921 -17.243 966 2HB ARG 121 2HB ARG 121 -5.997 -2.869 -18.297 967 1HG ARG 121 1HG ARG 121 -6.440 -4.874 -16.892 968 2HG ARG 121 2HG ARG 121 -7.554 -3.917 -15.915 969 1HD ARG 121 1HD ARG 121 -8.941 -3.478 -17.923 970 2HD ARG 121 2HD ARG 121 -7.833 -4.470 -18.892 971 HE ARG 121 HE ARG 121 -8.517 -6.061 -16.690 972 1HH1 ARG 121 1HH1 ARG 121 -11.128 -4.476 -17.152 973 2HH1 ARG 121 2HH1 ARG 121 -11.993 -5.585 -18.164 974 1HH2 ARG 121 1HH2 ARG 121 -9.196 -7.493 -18.914 975 2HH2 ARG 121 2HH2 ARG 121 -10.899 -7.293 -19.162 976 H SER 122 H SER 122 -2.765 -3.108 -16.808 977 HA SER 122 HA SER 122 -2.208 -0.424 -18.036 978 1HB SER 122 1HB SER 122 -0.490 -2.241 -16.318 979 2HB SER 122 2HB SER 122 0.084 -0.757 -17.072 980 HG SER 122 HG SER 122 -0.580 -0.090 -15.126 981 H LYS 123 H LYS 123 -0.828 -0.445 -19.886 982 HA LYS 123 HA LYS 123 -0.420 -3.153 -21.112 983 1HB LYS 123 1HB LYS 123 -1.989 -1.143 -21.992 984 2HB LYS 123 2HB LYS 123 -0.467 -0.654 -22.737 985 1HG LYS 123 1HG LYS 123 -0.348 -2.551 -24.070 986 2HG LYS 123 2HG LYS 123 -1.317 -3.518 -22.958 987 1HD LYS 123 1HD LYS 123 -2.751 -1.200 -24.065 988 2HD LYS 123 2HD LYS 123 -2.264 -2.382 -25.281 989 1HE LYS 123 1HE LYS 123 -3.373 -4.179 -24.048 990 2HE LYS 123 2HE LYS 123 -3.784 -3.056 -22.736 991 1HZ LYS 123 1HZ LYS 123 -4.557 -2.626 -25.570 992 2HZ LYS 123 2HZ LYS 123 -5.579 -3.355 -24.425 993 3HZ LYS 123 3HZ LYS 123 -5.078 -1.745 -24.217 994 H ARG 124 H ARG 124 1.592 -3.509 -22.205 995 HA ARG 124 HA ARG 124 3.882 -2.107 -21.086 996 1HB ARG 124 1HB ARG 124 3.838 -4.515 -21.611 997 2HB ARG 124 2HB ARG 124 3.590 -4.145 -23.318 998 1HG ARG 124 1HG ARG 124 5.755 -2.968 -23.385 999 2HG ARG 124 2HG ARG 124 6.005 -3.326 -21.676 1000 1HD ARG 124 1HD ARG 124 6.120 -5.699 -22.106 1001 2HD ARG 124 2HD ARG 124 5.596 -5.473 -23.786 1002 HE ARG 124 HE ARG 124 7.723 -4.165 -24.132 1003 1HH1 ARG 124 1HH1 ARG 124 8.582 -3.859 -21.313 1004 2HH1 ARG 124 2HH1 ARG 124 9.752 -5.124 -21.132 1005 1HH2 ARG 124 1HH2 ARG 124 8.719 -6.848 -23.957 1006 2HH2 ARG 124 2HH2 ARG 124 9.830 -6.816 -22.628 1007 H VAL 125 HN VAL 125 4.986 -0.399 -21.993 1008 HA VAL 125 HA VAL 125 4.539 0.228 -24.882 1009 HB VAL 125 HB VAL 125 2.957 1.524 -23.508 1010 1HG1 VAL 125 1HG1 VAL 125 4.457 1.407 -21.446 1011 2HG1 VAL 125 2HG1 VAL 125 5.382 2.731 -22.156 1012 3HG1 VAL 125 3HG1 VAL 125 3.685 2.965 -21.739 1013 1HG2 VAL 125 1HG2 VAL 125 4.512 2.509 -25.469 1014 2HG2 VAL 125 2HG2 VAL 125 3.337 3.509 -24.614 1015 3HG2 VAL 125 3HG2 VAL 125 5.039 3.560 -24.154 1016 1H1 JN3 130 1H1 JN3 130 -3.692 1.850 -7.603 1017 2H1 JN3 130 2H1 JN3 130 -3.159 3.155 -8.717 1018 1H2 JN3 130 1H2 JN3 130 -0.962 3.113 -7.734 1019 2H2 JN3 130 2H2 JN3 130 -1.439 1.490 -8.368 1020 H3 JN3 130 H3 JN3 130 -2.115 0.763 -6.005 1021 HO3 JN3 130 HO3 JN3 130 -0.008 0.783 -4.972 1022 1H4 JN3 130 1H4 JN3 130 -1.162 3.538 -5.159 1023 2H4 JN3 130 2H4 JN3 130 -1.718 2.258 -4.065 1024 H5 JN3 130 H5 JN3 130 -4.038 2.321 -5.235 1025 1H6 JN3 130 1H6 JN3 130 -3.712 3.769 -3.206 1026 2H6 JN3 130 2H6 JN3 130 -4.836 4.460 -4.366 1027 H7 JN3 130 H7 JN3 130 -3.250 6.164 -3.471 1028 HO7 JN3 130 HO7 JN3 130 -1.430 4.680 -3.193 1029 H8 JN3 130 H8 JN3 130 -4.177 6.455 -5.734 1030 H9 JN3 130 H9 JN3 130 -1.537 4.963 -6.654 1031 1H11 JN3 130 1H11 JN3 130 -3.812 6.178 -8.355 1032 2H11 JN3 130 2H11 JN3 130 -2.475 5.232 -9.010 1033 1H12 JN3 130 1H12 JN3 130 -1.960 7.639 -9.270 1034 2H12 JN3 130 2H12 JN3 130 -0.848 6.962 -8.077 1035 H14 JN3 130 H14 JN3 130 -1.182 7.347 -5.605 1036 1H15 JN3 130 1H15 JN3 130 -2.169 8.540 -3.803 1037 2H15 JN3 130 2H15 JN3 130 -3.681 8.793 -4.668 1038 1H16 JN3 130 1H16 JN3 130 -1.153 10.289 -4.891 1039 2H16 JN3 130 2H16 JN3 130 -2.770 10.699 -5.571 1040 H17 JN3 130 H17 JN3 130 -0.446 9.212 -6.933 1041 1H18 JN3 130 1H18 JN3 130 -4.289 9.397 -6.730 1042 2H18 JN3 130 2H18 JN3 130 -4.103 9.076 -8.470 1043 3H18 JN3 130 3H18 JN3 130 -4.599 7.767 -7.372 1044 1H19 JN3 130 1H19 JN3 130 -5.358 4.789 -6.292 1045 2H19 JN3 130 2H19 JN3 130 -5.118 4.415 -8.015 1046 3H19 JN3 130 3H19 JN3 130 -5.572 3.123 -6.879 1047 H20 JN3 130 H20 JN3 130 -2.452 11.219 -7.949 1048 1H21 JN3 130 1H21 JN3 130 -1.408 11.259 -10.078 1049 2H21 JN3 130 2H21 JN3 130 -0.452 9.819 -9.657 1050 3H21 JN3 130 3H21 JN3 130 -2.224 9.707 -9.773 1051 1H22 JN3 130 1H22 JN3 130 0.522 11.437 -8.270 1052 2H22 JN3 130 2H22 JN3 130 -0.175 11.645 -6.627 1053 1H23 JN3 130 1H23 JN3 130 -1.687 13.339 -8.325 1054 2H23 JN3 130 2H23 JN3 130 -0.025 13.569 -8.806 1055 1H1 JN3 131 1H1 JN3 131 5.119 -4.886 -4.340 1056 2H1 JN3 131 2H1 JN3 131 3.485 -4.935 -3.595 1057 1H2 JN3 131 1H2 JN3 131 2.540 -3.944 -5.573 1058 2H2 JN3 131 2H2 JN3 131 3.431 -5.468 -5.953 1059 H3 JN3 131 H3 JN3 131 5.470 -4.097 -6.680 1060 HO3 JN3 131 HO3 JN3 131 4.250 -2.690 -8.420 1061 1H4 JN3 131 1H4 JN3 131 3.735 -1.666 -6.049 1062 2H4 JN3 131 2H4 JN3 131 5.360 -1.619 -6.757 1063 H5 JN3 131 H5 JN3 131 6.283 -2.762 -4.613 1064 1H6 JN3 131 1H6 JN3 131 6.289 -0.247 -4.697 1065 2H6 JN3 131 2H6 JN3 131 6.076 -0.876 -3.071 1066 H7 JN3 131 H7 JN3 131 4.531 1.022 -3.549 1067 HO7 JN3 131 HO7 JN3 131 3.911 0.997 -5.629 1068 H8 JN3 131 H8 JN3 131 3.850 -0.704 -1.928 1069 H9 JN3 131 H9 JN3 131 2.449 -2.042 -4.436 1070 1H11 JN3 131 1H11 JN3 131 2.440 -2.915 -1.471 1071 2H11 JN3 131 2H11 JN3 131 1.739 -3.855 -2.789 1072 1H12 JN3 131 1H12 JN3 131 -0.058 -2.568 -1.674 1073 2H12 JN3 131 2H12 JN3 131 0.173 -1.905 -3.294 1074 H14 JN3 131 H14 JN3 131 1.427 0.254 -3.662 1075 1H15 JN3 131 1H15 JN3 131 2.336 2.293 -2.848 1076 2H15 JN3 131 2H15 JN3 131 2.770 1.594 -1.292 1077 1H16 JN3 131 1H16 JN3 131 0.149 2.581 -2.207 1078 2H16 JN3 131 2H16 JN3 131 0.659 2.111 -0.544 1079 H17 JN3 131 H17 JN3 131 -0.757 0.390 -2.666 1080 1H18 JN3 131 1H18 JN3 131 1.805 0.251 0.208 1081 2H18 JN3 131 2H18 JN3 131 0.982 -1.304 0.474 1082 3H18 JN3 131 3H18 JN3 131 2.586 -1.266 -0.297 1083 1H19 JN3 131 1H19 JN3 131 5.271 -2.267 -1.840 1084 2H19 JN3 131 2H19 JN3 131 4.451 -3.835 -1.651 1085 3H19 JN3 131 3H19 JN3 131 6.036 -3.752 -2.456 1086 H20 JN3 131 H20 JN3 131 -0.969 0.064 0.325 1087 1H21 JN3 131 1H21 JN3 131 -3.163 -0.763 -0.041 1088 2H21 JN3 131 2H21 JN3 131 -2.934 -0.640 -1.802 1089 3H21 JN3 131 3H21 JN3 131 -1.936 -1.766 -0.851 1090 1H22 JN3 131 1H22 JN3 131 -3.171 1.522 -0.963 1091 2H22 JN3 131 2H22 JN3 131 -1.603 2.396 -1.042 1092 1H23 JN3 131 1H23 JN3 131 -1.464 2.332 1.434 1093 2H23 JN3 131 2H23 JN3 131 -2.976 1.465 1.519 Start of MODEL 15 1 1H ALA 1 1H ALA 1 9.947 -11.293 -16.229 2 2H ALA 1 2H ALA 1 9.664 -12.908 -15.781 3 3H ALA 1 3H ALA 1 9.527 -11.667 -14.628 4 HA ALA 1 HA ALA 1 7.781 -11.895 -17.027 5 1HB ALA 1 1HB ALA 1 7.556 -12.868 -14.167 6 2HB ALA 1 2HB ALA 1 6.155 -12.706 -15.226 7 3HB ALA 1 3HB ALA 1 7.451 -13.829 -15.643 8 H PHE 2 H PHE 2 7.957 -10.724 -13.635 9 HA PHE 2 HA PHE 2 6.107 -8.531 -14.161 10 1HB PHE 2 1HB PHE 2 7.931 -9.316 -11.870 11 2HB PHE 2 2HB PHE 2 6.823 -7.945 -11.792 12 HD1 PHE 2 HD1 PHE 2 7.092 -11.615 -11.961 13 HD2 PHE 2 HD2 PHE 2 4.403 -8.272 -11.743 14 HE1 PHE 2 HE1 PHE 2 5.232 -13.149 -11.382 15 HE2 PHE 2 HE2 PHE 2 2.543 -9.806 -11.164 16 HZ PHE 2 HZ PHE 2 2.957 -12.244 -10.983 17 H SER 3 H SER 3 9.600 -8.947 -14.141 18 HA SER 3 HA SER 3 10.438 -6.246 -13.871 19 1HB SER 3 1HB SER 3 11.524 -8.635 -15.383 20 2HB SER 3 2HB SER 3 12.426 -7.134 -15.195 21 HG SER 3 HG SER 3 13.023 -8.355 -13.487 22 H GLY 4 H GLY 4 10.821 -4.616 -15.452 23 1HA GLY 4 1HA GLY 4 10.939 -4.019 -17.878 24 2HA GLY 4 2HA GLY 4 9.581 -5.117 -18.128 25 H THR 5 H THR 5 9.427 -2.439 -18.948 26 HA THR 5 HA THR 5 8.078 -0.818 -16.928 27 HB THR 5 HB THR 5 7.636 0.586 -19.020 28 HG1 THR 5 HG1 THR 5 7.820 -1.458 -20.317 29 1HG2 THR 5 1HG2 THR 5 10.171 0.924 -19.409 30 2HG2 THR 5 2HG2 THR 5 9.554 1.173 -17.776 31 3HG2 THR 5 3HG2 THR 5 10.385 -0.327 -18.185 32 H TRP 6 H TRP 6 5.800 -0.233 -17.019 33 HA TRP 6 HA TRP 6 4.053 -2.013 -18.661 34 1HB TRP 6 1HB TRP 6 4.091 -1.656 -15.652 35 2HB TRP 6 2HB TRP 6 2.723 -2.365 -16.510 36 HD1 TRP 6 HD1 TRP 6 6.208 -3.112 -15.306 37 HE1 TRP 6 HE1 TRP 6 6.797 -5.565 -15.838 38 HE3 TRP 6 HE3 TRP 6 2.267 -4.335 -18.316 39 HZ2 TRP 6 HZ2 TRP 6 5.737 -7.757 -17.341 40 HZ3 TRP 6 HZ3 TRP 6 2.082 -6.609 -19.284 41 HH2 TRP 6 HH2 TRP 6 3.810 -8.319 -18.800 42 H GLN 7 H GLN 7 2.464 -0.783 -19.594 43 HA GLN 7 HA GLN 7 2.031 1.987 -18.615 44 1HB GLN 7 1HB GLN 7 2.460 1.110 -21.055 45 2HB GLN 7 2HB GLN 7 0.742 0.711 -21.017 46 1HG GLN 7 1HG GLN 7 0.087 2.914 -20.969 47 2HG GLN 7 2HG GLN 7 1.517 3.428 -20.072 48 1HE2 GLN 7 2HE2 GLN 7 1.949 5.157 -21.645 49 2HE2 GLN 7 1HE2 GLN 7 2.563 4.800 -23.186 50 H VAL 8 H VAL 8 -0.026 2.720 -17.929 51 HA VAL 8 HA VAL 8 -1.764 0.815 -16.651 52 HB VAL 8 HB VAL 8 -1.912 3.753 -17.355 53 1HG1 VAL 8 1HG1 VAL 8 -4.011 1.939 -16.323 54 2HG1 VAL 8 2HG1 VAL 8 -3.788 3.428 -15.404 55 3HG1 VAL 8 3HG1 VAL 8 -4.168 3.501 -17.125 56 1HG2 VAL 8 1HG2 VAL 8 -0.341 2.677 -15.557 57 2HG2 VAL 8 2HG2 VAL 8 -1.272 4.110 -15.125 58 3HG2 VAL 8 3HG2 VAL 8 -1.821 2.513 -14.612 59 H TYR 9 H TYR 9 -3.029 -0.572 -17.846 60 HA TYR 9 HA TYR 9 -3.920 0.004 -20.547 61 1HB TYR 9 1HB TYR 9 -4.070 -2.133 -18.513 62 2HB TYR 9 2HB TYR 9 -5.441 -2.087 -19.622 63 HD1 TYR 9 HD1 TYR 9 -4.748 -1.659 -22.179 64 HD2 TYR 9 HD2 TYR 9 -2.199 -3.355 -19.167 65 HE1 TYR 9 HE1 TYR 9 -3.357 -2.706 -23.946 66 HE2 TYR 9 HE2 TYR 9 -0.808 -4.402 -20.933 67 HH TYR 9 HH TYR 9 -0.538 -4.727 -23.107 68 H ALA 10 H ALA 10 -5.959 -0.762 -17.705 69 HA ALA 10 HA ALA 10 -7.685 1.583 -18.302 70 1HB ALA 10 1HB ALA 10 -8.162 -0.891 -19.423 71 2HB ALA 10 2HB ALA 10 -9.157 -0.948 -17.967 72 3HB ALA 10 3HB ALA 10 -9.396 0.340 -19.148 73 H GLN 11 H GLN 11 -9.492 1.680 -16.581 74 HA GLN 11 HA GLN 11 -8.806 0.290 -14.042 75 1HB GLN 11 1HB GLN 11 -8.829 3.294 -14.482 76 2HB GLN 11 2HB GLN 11 -8.702 2.520 -12.902 77 1HG GLN 11 1HG GLN 11 -6.473 2.426 -13.208 78 2HG GLN 11 2HG GLN 11 -6.760 1.264 -14.504 79 1HE2 GLN 11 2HE2 GLN 11 -5.648 4.459 -13.817 80 2HE2 GLN 11 1HE2 GLN 11 -5.507 4.992 -15.424 81 H GLU 12 H GLU 12 -10.798 -0.562 -13.539 82 HA GLU 12 HA GLU 12 -13.271 0.926 -14.211 83 1HB GLU 12 1HB GLU 12 -12.903 -1.533 -14.632 84 2HB GLU 12 2HB GLU 12 -12.858 -1.771 -12.884 85 1HG GLU 12 1HG GLU 12 -15.124 -0.995 -12.640 86 2HG GLU 12 2HG GLU 12 -15.180 -0.464 -14.321 87 H ASN 13 H ASN 13 -14.805 1.546 -12.588 88 HA ASN 13 HA ASN 13 -15.413 2.459 -10.491 89 1HB ASN 13 1HB ASN 13 -13.732 0.138 -9.498 90 2HB ASN 13 2HB ASN 13 -15.106 0.884 -8.682 91 1HD2 ASN 13 2HD2 ASN 13 -14.866 -1.962 -9.529 92 2HD2 ASN 13 1HD2 ASN 13 -16.148 -2.239 -10.606 93 H TYR 14 H TYR 14 -12.600 3.024 -11.749 94 HA TYR 14 HA TYR 14 -10.555 3.404 -9.935 95 1HB TYR 14 1HB TYR 14 -10.610 4.066 -12.337 96 2HB TYR 14 2HB TYR 14 -11.629 5.443 -11.913 97 HD1 TYR 14 HD1 TYR 14 -10.688 6.969 -9.956 98 HD2 TYR 14 HD2 TYR 14 -8.297 4.369 -12.400 99 HE1 TYR 14 HE1 TYR 14 -8.669 8.291 -9.386 100 HE2 TYR 14 HE2 TYR 14 -6.278 5.691 -11.831 101 HH TYR 14 HH TYR 14 -5.534 7.597 -10.892 102 H GLU 15 H GLU 15 -12.956 5.999 -10.543 103 HA GLU 15 HA GLU 15 -12.370 7.667 -8.390 104 1HB GLU 15 1HB GLU 15 -15.018 6.895 -9.651 105 2HB GLU 15 2HB GLU 15 -14.816 8.287 -8.586 106 1HG GLU 15 1HG GLU 15 -13.144 9.237 -10.114 107 2HG GLU 15 2HG GLU 15 -13.293 7.832 -11.170 108 H GLU 16 H GLU 16 -14.904 5.121 -8.339 109 HA GLU 16 HA GLU 16 -15.730 5.194 -5.713 110 1HB GLU 16 1HB GLU 16 -15.053 2.884 -7.547 111 2HB GLU 16 2HB GLU 16 -15.845 2.635 -5.990 112 1HG GLU 16 1HG GLU 16 -16.907 4.560 -8.068 113 2HG GLU 16 2HG GLU 16 -17.407 2.869 -7.992 114 H PHE 17 H PHE 17 -12.817 3.443 -6.860 115 HA PHE 17 HA PHE 17 -11.886 2.433 -4.412 116 1HB PHE 17 1HB PHE 17 -11.005 2.102 -6.769 117 2HB PHE 17 2HB PHE 17 -10.200 3.663 -6.610 118 HD1 PHE 17 HD1 PHE 17 -10.714 0.897 -4.136 119 HD2 PHE 17 HD2 PHE 17 -7.904 3.247 -6.380 120 HE1 PHE 17 HE1 PHE 17 -8.841 -0.190 -2.928 121 HE2 PHE 17 HE2 PHE 17 -6.030 2.159 -5.172 122 HZ PHE 17 HZ PHE 17 -6.499 0.441 -3.446 123 H LEU 18 H LEU 18 -10.677 5.463 -5.908 124 HA LEU 18 HA LEU 18 -9.204 6.508 -3.810 125 1HB LEU 18 1HB LEU 18 -10.878 7.584 -6.023 126 2HB LEU 18 2HB LEU 18 -10.391 8.740 -4.782 127 HG LEU 18 HG LEU 18 -8.591 7.003 -6.487 128 1HD1 LEU 18 1HD1 LEU 18 -9.448 9.807 -6.471 129 2HD1 LEU 18 2HD1 LEU 18 -7.694 9.624 -6.493 130 3HD1 LEU 18 3HD1 LEU 18 -8.674 8.877 -7.755 131 1HD2 LEU 18 1HD2 LEU 18 -7.854 7.050 -4.094 132 2HD2 LEU 18 2HD2 LEU 18 -6.721 7.862 -5.174 133 3HD2 LEU 18 3HD2 LEU 18 -7.821 8.811 -4.174 134 H LYS 19 H LYS 19 -12.745 6.796 -4.231 135 HA LYS 19 HA LYS 19 -13.366 8.431 -2.032 136 1HB LYS 19 1HB LYS 19 -14.738 6.102 -3.384 137 2HB LYS 19 2HB LYS 19 -15.529 7.009 -2.094 138 1HG LYS 19 1HG LYS 19 -15.304 9.084 -3.358 139 2HG LYS 19 2HG LYS 19 -14.396 8.248 -4.619 140 1HD LYS 19 1HD LYS 19 -16.267 7.169 -5.449 141 2HD LYS 19 2HD LYS 19 -17.096 7.188 -3.892 142 1HE LYS 19 1HE LYS 19 -16.537 9.835 -5.169 143 2HE LYS 19 2HE LYS 19 -17.838 8.843 -5.859 144 1HZ LYS 19 1HZ LYS 19 -18.736 8.548 -3.624 145 2HZ LYS 19 2HZ LYS 19 -17.520 9.544 -2.987 146 3HZ LYS 19 3HZ LYS 19 -18.682 10.194 -4.043 147 H ALA 20 H ALA 20 -12.724 4.931 -2.104 148 HA ALA 20 HA ALA 20 -13.372 4.494 0.695 149 1HB ALA 20 1HB ALA 20 -11.972 3.001 -1.521 150 2HB ALA 20 2HB ALA 20 -12.002 2.346 0.116 151 3HB ALA 20 3HB ALA 20 -13.514 2.631 -0.747 152 H LEU 21 H LEU 21 -10.353 5.046 -1.124 153 HA LEU 21 HA LEU 21 -8.484 4.603 0.960 154 1HB LEU 21 1HB LEU 21 -8.593 5.624 -1.688 155 2HB LEU 21 2HB LEU 21 -7.737 6.825 -0.720 156 HG LEU 21 HG LEU 21 -6.325 4.932 0.199 157 1HD1 LEU 21 1HD1 LEU 21 -7.726 3.448 -2.046 158 2HD1 LEU 21 2HD1 LEU 21 -6.292 2.858 -1.205 159 3HD1 LEU 21 3HD1 LEU 21 -7.806 3.069 -0.325 160 1HD2 LEU 21 1HD2 LEU 21 -6.278 5.439 -2.794 161 2HD2 LEU 21 2HD2 LEU 21 -5.476 6.413 -1.561 162 3HD2 LEU 21 3HD2 LEU 21 -4.941 4.760 -1.865 163 H ALA 22 H ALA 22 -10.682 7.275 0.406 164 HA ALA 22 HA ALA 22 -11.276 8.984 1.968 165 1HB ALA 22 1HB ALA 22 -10.097 7.112 3.495 166 2HB ALA 22 2HB ALA 22 -8.871 8.373 3.626 167 3HB ALA 22 3HB ALA 22 -10.527 8.698 4.135 168 H LEU 23 H LEU 23 -9.134 9.037 -0.255 169 HA LEU 23 HA LEU 23 -7.112 10.942 0.561 170 1HB LEU 23 1HB LEU 23 -8.206 9.775 -1.976 171 2HB LEU 23 2HB LEU 23 -7.141 11.177 -2.085 172 HG LEU 23 HG LEU 23 -6.473 8.619 -0.599 173 1HD1 LEU 23 1HD1 LEU 23 -6.017 9.542 -3.401 174 2HD1 LEU 23 2HD1 LEU 23 -4.691 8.700 -2.598 175 3HD1 LEU 23 3HD1 LEU 23 -6.256 7.908 -2.782 176 1HD2 LEU 23 1HD2 LEU 23 -5.016 11.208 -1.141 177 2HD2 LEU 23 2HD2 LEU 23 -5.248 10.382 0.400 178 3HD2 LEU 23 3HD2 LEU 23 -4.135 9.720 -0.797 179 HA PRO 24 HA PRO 24 -9.239 14.753 0.121 180 1HB PRO 24 1HB PRO 24 -7.475 16.305 -1.284 181 2HB PRO 24 2HB PRO 24 -7.215 15.838 0.409 182 1HG PRO 24 1HG PRO 24 -6.025 14.706 -2.071 183 2HG PRO 24 2HG PRO 24 -5.286 14.977 -0.486 184 1HD PRO 24 1HD PRO 24 -6.138 12.534 -1.366 185 2HD PRO 24 2HD PRO 24 -6.037 12.987 0.349 186 H GLU 25 H GLU 25 -10.770 15.639 -1.273 187 HA GLU 25 HA GLU 25 -11.364 14.424 -3.776 188 1HB GLU 25 1HB GLU 25 -12.915 16.385 -3.971 189 2HB GLU 25 2HB GLU 25 -12.986 15.614 -2.386 190 1HG GLU 25 1HG GLU 25 -11.113 17.363 -1.775 191 2HG GLU 25 2HG GLU 25 -11.766 18.246 -3.155 192 H ASP 26 H ASP 26 -9.790 17.563 -3.064 193 HA ASP 26 HA ASP 26 -9.418 18.586 -5.625 194 1HB ASP 26 1HB ASP 26 -7.384 19.626 -4.637 195 2HB ASP 26 2HB ASP 26 -8.746 19.667 -3.517 196 H LEU 27 H LEU 27 -7.637 15.941 -4.069 197 HA LEU 27 HA LEU 27 -5.783 15.687 -6.356 198 1HB LEU 27 1HB LEU 27 -4.911 15.355 -4.138 199 2HB LEU 27 2HB LEU 27 -6.212 14.234 -3.731 200 HG LEU 27 HG LEU 27 -5.346 12.778 -5.660 201 1HD1 LEU 27 1HD1 LEU 27 -3.300 14.943 -5.534 202 2HD1 LEU 27 2HD1 LEU 27 -2.714 13.299 -5.781 203 3HD1 LEU 27 3HD1 LEU 27 -3.861 14.006 -6.919 204 1HD2 LEU 27 1HD2 LEU 27 -4.838 12.720 -3.017 205 2HD2 LEU 27 2HD2 LEU 27 -4.105 11.573 -4.138 206 3HD2 LEU 27 3HD2 LEU 27 -3.196 12.988 -3.603 207 H ILE 28 H ILE 28 -8.634 14.072 -5.020 208 HA ILE 28 HA ILE 28 -8.481 11.702 -6.671 209 HB ILE 28 HB ILE 28 -10.675 13.130 -5.145 210 1HG1 ILE 28 1HG1 ILE 28 -9.316 10.485 -4.573 211 2HG1 ILE 28 2HG1 ILE 28 -8.688 12.019 -3.968 212 1HG2 ILE 28 1HG2 ILE 28 -10.814 10.884 -7.043 213 2HG2 ILE 28 2HG2 ILE 28 -11.511 10.525 -5.463 214 3HG2 ILE 28 3HG2 ILE 28 -12.109 11.895 -6.400 215 1HD1 ILE 28 1HD1 ILE 28 -11.582 11.374 -3.533 216 2HD1 ILE 28 2HD1 ILE 28 -10.376 10.602 -2.506 217 3HD1 ILE 28 3HD1 ILE 28 -10.498 12.360 -2.552 218 H LYS 29 H LYS 29 -10.424 14.706 -6.925 219 HA LYS 29 HA LYS 29 -11.693 14.054 -9.408 220 1HB LYS 29 1HB LYS 29 -10.949 16.721 -8.158 221 2HB LYS 29 2HB LYS 29 -12.154 16.493 -9.426 222 1HG LYS 29 1HG LYS 29 -12.269 15.161 -6.705 223 2HG LYS 29 2HG LYS 29 -13.156 16.624 -7.133 224 1HD LYS 29 1HD LYS 29 -14.238 15.370 -9.004 225 2HD LYS 29 2HD LYS 29 -13.429 13.905 -8.447 226 1HE LYS 29 1HE LYS 29 -14.565 14.091 -6.261 227 2HE LYS 29 2HE LYS 29 -15.378 15.570 -6.811 228 1HZ LYS 29 1HZ LYS 29 -15.503 12.996 -8.285 229 2HZ LYS 29 2HZ LYS 29 -16.679 13.472 -7.155 230 3HZ LYS 29 3HZ LYS 29 -16.432 14.392 -8.559 231 H MET 30 H MET 30 -8.565 15.520 -8.646 232 HA MET 30 HA MET 30 -8.025 16.251 -11.445 233 1HB MET 30 1HB MET 30 -7.264 17.470 -9.345 234 2HB MET 30 2HB MET 30 -6.153 16.129 -9.064 235 1HG MET 30 1HG MET 30 -5.194 16.524 -11.348 236 2HG MET 30 2HG MET 30 -6.210 17.959 -11.479 237 1HE MET 30 1HE MET 30 -3.830 15.955 -9.720 238 2HE MET 30 2HE MET 30 -2.468 17.020 -9.378 239 3HE MET 30 3HE MET 30 -3.722 16.760 -8.156 240 H ALA 31 H ALA 31 -7.783 13.421 -9.544 241 HA ALA 31 HA ALA 31 -5.670 12.284 -11.339 242 1HB ALA 31 1HB ALA 31 -5.663 12.432 -8.672 243 2HB ALA 31 2HB ALA 31 -6.623 10.960 -8.829 244 3HB ALA 31 3HB ALA 31 -4.996 11.029 -9.507 245 H ARG 32 H ARG 32 -8.947 12.444 -11.144 246 HA ARG 32 HA ARG 32 -9.775 9.691 -11.353 247 1HB ARG 32 1HB ARG 32 -11.877 10.676 -11.974 248 2HB ARG 32 2HB ARG 32 -11.132 11.790 -10.826 249 1HG ARG 32 1HG ARG 32 -10.268 13.143 -12.709 250 2HG ARG 32 2HG ARG 32 -11.041 12.041 -13.848 251 1HD ARG 32 1HD ARG 32 -13.219 12.576 -12.461 252 2HD ARG 32 2HD ARG 32 -12.315 14.026 -11.983 253 HE ARG 32 HE ARG 32 -11.952 14.396 -14.485 254 1HH1 ARG 32 1HH1 ARG 32 -13.484 11.670 -14.887 255 2HH1 ARG 32 2HH1 ARG 32 -14.968 12.277 -15.541 256 1HH2 ARG 32 1HH2 ARG 32 -14.336 15.561 -14.626 257 2HH2 ARG 32 2HH2 ARG 32 -15.451 14.481 -15.394 258 H ASP 33 H ASP 33 -7.868 11.514 -13.418 259 HA ASP 33 HA ASP 33 -8.425 9.655 -15.675 260 1HB ASP 33 1HB ASP 33 -8.484 12.688 -15.765 261 2HB ASP 33 2HB ASP 33 -8.472 11.662 -17.201 262 H ILE 34 H ILE 34 -6.199 9.453 -14.067 263 HA ILE 34 HA ILE 34 -4.025 10.639 -15.764 264 HB ILE 34 HB ILE 34 -4.356 10.326 -12.781 265 1HG1 ILE 34 1HG1 ILE 34 -3.503 12.593 -14.612 266 2HG1 ILE 34 2HG1 ILE 34 -5.053 12.446 -13.781 267 1HG2 ILE 34 1HG2 ILE 34 -1.916 9.987 -14.356 268 2HG2 ILE 34 2HG2 ILE 34 -1.786 11.310 -13.197 269 3HG2 ILE 34 3HG2 ILE 34 -2.191 9.687 -12.640 270 1HD1 ILE 34 1HD1 ILE 34 -3.658 12.326 -11.609 271 2HD1 ILE 34 2HD1 ILE 34 -2.329 12.947 -12.588 272 3HD1 ILE 34 3HD1 ILE 34 -3.801 13.898 -12.397 273 H LYS 35 H LYS 35 -3.165 8.937 -16.906 274 HA LYS 35 HA LYS 35 -3.108 6.227 -15.672 275 1HB LYS 35 1HB LYS 35 -2.567 7.277 -18.470 276 2HB LYS 35 2HB LYS 35 -2.570 5.571 -18.021 277 1HG LYS 35 1HG LYS 35 -4.834 5.468 -17.983 278 2HG LYS 35 2HG LYS 35 -4.974 7.013 -17.143 279 1HD LYS 35 1HD LYS 35 -5.709 7.863 -19.102 280 2HD LYS 35 2HD LYS 35 -4.043 7.725 -19.666 281 1HE LYS 35 1HE LYS 35 -4.539 5.386 -20.427 282 2HE LYS 35 2HE LYS 35 -6.238 5.648 -19.985 283 1HZ LYS 35 1HZ LYS 35 -6.265 7.607 -21.410 284 2HZ LYS 35 2HZ LYS 35 -4.651 7.324 -21.860 285 3HZ LYS 35 3HZ LYS 35 -5.866 6.222 -22.305 286 HA PRO 36 HA PRO 36 1.213 7.665 -15.025 287 1HB PRO 36 1HB PRO 36 1.521 6.406 -12.614 288 2HB PRO 36 2HB PRO 36 0.808 8.023 -12.775 289 1HG PRO 36 1HG PRO 36 -0.529 5.395 -12.390 290 2HG PRO 36 2HG PRO 36 -0.939 6.980 -11.718 291 1HD PRO 36 1HD PRO 36 -2.249 5.840 -13.830 292 2HD PRO 36 2HD PRO 36 -2.144 7.593 -13.560 293 H ILE 37 H ILE 37 3.154 6.349 -15.135 294 HA ILE 37 HA ILE 37 2.647 3.593 -16.127 295 HB ILE 37 HB ILE 37 5.093 5.394 -16.112 296 1HG1 ILE 37 1HG1 ILE 37 3.748 4.715 -18.647 297 2HG1 ILE 37 2HG1 ILE 37 2.769 5.695 -17.554 298 1HG2 ILE 37 1HG2 ILE 37 4.539 2.650 -17.217 299 2HG2 ILE 37 2HG2 ILE 37 5.686 3.713 -18.033 300 3HG2 ILE 37 3HG2 ILE 37 5.965 3.234 -16.358 301 1HD1 ILE 37 1HD1 ILE 37 4.970 7.105 -17.290 302 2HD1 ILE 37 2HD1 ILE 37 5.414 6.348 -18.819 303 3HD1 ILE 37 3HD1 ILE 37 3.957 7.336 -18.715 304 H VAL 38 H VAL 38 4.350 1.924 -15.439 305 HA VAL 38 HA VAL 38 5.393 2.350 -12.680 306 HB VAL 38 HB VAL 38 3.443 0.217 -13.599 307 1HG1 VAL 38 1HG1 VAL 38 5.240 -0.744 -12.176 308 2HG1 VAL 38 2HG1 VAL 38 4.887 0.465 -10.941 309 3HG1 VAL 38 3HG1 VAL 38 3.678 -0.750 -11.357 310 1HG2 VAL 38 1HG2 VAL 38 3.355 2.512 -11.634 311 2HG2 VAL 38 2HG2 VAL 38 2.253 2.174 -12.969 312 3HG2 VAL 38 3HG2 VAL 38 2.226 1.162 -11.525 313 H GLU 39 H GLU 39 7.515 1.738 -12.826 314 HA GLU 39 HA GLU 39 8.310 -0.308 -14.838 315 1HB GLU 39 1HB GLU 39 9.324 2.087 -14.370 316 2HB GLU 39 2HB GLU 39 10.179 1.248 -13.074 317 1HG GLU 39 1HG GLU 39 11.336 -0.145 -14.561 318 2HG GLU 39 2HG GLU 39 10.163 0.100 -15.855 319 H ILE 40 H ILE 40 9.410 -2.217 -14.205 320 HA ILE 40 HA ILE 40 9.601 -2.740 -11.260 321 HB ILE 40 HB ILE 40 8.502 -4.561 -13.428 322 1HG1 ILE 40 1HG1 ILE 40 7.105 -3.118 -11.151 323 2HG1 ILE 40 2HG1 ILE 40 7.002 -2.669 -12.853 324 1HG2 ILE 40 1HG2 ILE 40 8.774 -4.888 -10.424 325 2HG2 ILE 40 2HG2 ILE 40 7.840 -5.969 -11.459 326 3HG2 ILE 40 3HG2 ILE 40 9.586 -5.841 -11.667 327 1HD1 ILE 40 1HD1 ILE 40 6.351 -5.486 -12.067 328 2HD1 ILE 40 2HD1 ILE 40 5.155 -4.223 -11.769 329 3HD1 ILE 40 3HD1 ILE 40 5.725 -4.527 -13.409 330 H GLN 41 H GLN 41 11.648 -3.412 -10.762 331 HA GLN 41 HA GLN 41 13.233 -4.822 -12.886 332 1HB GLN 41 1HB GLN 41 13.921 -2.475 -12.558 333 2HB GLN 41 2HB GLN 41 14.121 -2.771 -10.831 334 1HG GLN 41 1HG GLN 41 15.858 -4.451 -11.310 335 2HG GLN 41 2HG GLN 41 15.656 -4.172 -13.040 336 1HE2 GLN 41 2HE2 GLN 41 17.535 -3.057 -13.652 337 2HE2 GLN 41 1HE2 GLN 41 18.116 -1.661 -12.880 338 H GLN 42 H GLN 42 12.406 -6.807 -11.741 339 HA GLN 42 HA GLN 42 13.205 -7.288 -8.972 340 1HB GLN 42 1HB GLN 42 11.200 -8.257 -10.087 341 2HB GLN 42 2HB GLN 42 12.261 -9.153 -11.174 342 1HG GLN 42 1HG GLN 42 13.344 -10.119 -9.051 343 2HG GLN 42 2HG GLN 42 11.942 -9.483 -8.189 344 1HE2 GLN 42 2HE2 GLN 42 10.969 -11.547 -7.725 345 2HE2 GLN 42 1HE2 GLN 42 10.359 -12.561 -8.941 346 H LYS 43 H LYS 43 14.706 -9.094 -8.401 347 HA LYS 43 HA LYS 43 16.638 -9.976 -10.441 348 1HB LYS 43 1HB LYS 43 17.086 -7.765 -8.493 349 2HB LYS 43 2HB LYS 43 18.423 -8.893 -8.730 350 1HG LYS 43 1HG LYS 43 16.970 -7.449 -10.967 351 2HG LYS 43 2HG LYS 43 18.526 -6.955 -10.297 352 1HD LYS 43 1HD LYS 43 19.442 -9.208 -10.895 353 2HD LYS 43 2HD LYS 43 17.908 -9.578 -11.686 354 1HE LYS 43 1HE LYS 43 18.228 -7.880 -13.336 355 2HE LYS 43 2HE LYS 43 19.552 -7.138 -12.415 356 1HZ LYS 43 1HZ LYS 43 19.570 -9.905 -13.501 357 2HZ LYS 43 2HZ LYS 43 20.380 -8.585 -14.199 358 3HZ LYS 43 3HZ LYS 43 20.841 -9.147 -12.666 359 H GLY 44 H GLY 44 14.922 -11.496 -8.803 360 1HA GLY 44 1HA GLY 44 15.770 -13.665 -7.840 361 2HA GLY 44 2HA GLY 44 16.845 -12.686 -6.840 362 H ASP 45 H ASP 45 16.018 -11.709 -4.977 363 HA ASP 45 HA ASP 45 13.180 -12.415 -4.306 364 1HB ASP 45 1HB ASP 45 14.002 -12.593 -2.002 365 2HB ASP 45 2HB ASP 45 15.002 -13.589 -3.061 366 H ASP 46 H ASP 46 15.030 -9.846 -5.212 367 HA ASP 46 HA ASP 46 13.718 -7.927 -3.324 368 1HB ASP 46 1HB ASP 46 16.198 -7.946 -3.514 369 2HB ASP 46 2HB ASP 46 16.053 -7.610 -5.239 370 H PHE 47 H PHE 47 12.294 -6.394 -4.150 371 HA PHE 47 HA PHE 47 11.825 -6.443 -7.116 372 1HB PHE 47 1HB PHE 47 10.098 -6.682 -4.727 373 2HB PHE 47 2HB PHE 47 9.474 -5.611 -5.981 374 HD1 PHE 47 HD1 PHE 47 10.501 -6.848 -8.442 375 HD2 PHE 47 HD2 PHE 47 8.852 -8.673 -4.920 376 HE1 PHE 47 HE1 PHE 47 9.812 -8.816 -9.785 377 HE2 PHE 47 HE2 PHE 47 8.162 -10.640 -6.262 378 HZ PHE 47 HZ PHE 47 8.643 -10.713 -8.694 379 H VAL 48 H VAL 48 11.858 -4.451 -8.127 380 HA VAL 48 HA VAL 48 12.025 -2.020 -6.373 381 HB VAL 48 HB VAL 48 13.340 -2.652 -9.037 382 1HG1 VAL 48 1HG1 VAL 48 13.639 -0.268 -7.181 383 2HG1 VAL 48 2HG1 VAL 48 14.575 -0.548 -8.650 384 3HG1 VAL 48 3HG1 VAL 48 12.840 -0.251 -8.754 385 1HG2 VAL 48 1HG2 VAL 48 14.233 -3.900 -7.054 386 2HG2 VAL 48 2HG2 VAL 48 15.406 -2.781 -7.748 387 3HG2 VAL 48 3HG2 VAL 48 14.548 -2.353 -6.268 388 H VAL 49 H VAL 49 9.923 -1.208 -6.564 389 HA VAL 49 HA VAL 49 8.755 -0.986 -9.309 390 HB VAL 49 HB VAL 49 7.554 -0.726 -6.532 391 1HG1 VAL 49 1HG1 VAL 49 6.550 -0.156 -9.232 392 2HG1 VAL 49 2HG1 VAL 49 5.525 -1.270 -8.327 393 3HG1 VAL 49 3HG1 VAL 49 5.895 0.323 -7.666 394 1HG2 VAL 49 1HG2 VAL 49 8.394 -3.011 -7.878 395 2HG2 VAL 49 2HG2 VAL 49 7.209 -2.964 -6.572 396 3HG2 VAL 49 3HG2 VAL 49 6.672 -2.924 -8.252 397 H THR 50 H THR 50 8.689 1.026 -10.238 398 HA THR 50 HA THR 50 8.926 3.422 -8.448 399 HB THR 50 HB THR 50 10.291 2.814 -11.090 400 HG1 THR 50 HG1 THR 50 12.001 2.451 -9.895 401 1HG2 THR 50 1HG2 THR 50 11.029 5.207 -9.505 402 2HG2 THR 50 2HG2 THR 50 10.938 4.997 -11.254 403 3HG2 THR 50 3HG2 THR 50 9.467 5.281 -10.323 404 H SER 51 H SER 51 6.883 4.319 -8.640 405 HA SER 51 HA SER 51 5.447 4.242 -11.224 406 1HB SER 51 1HB SER 51 4.792 5.351 -8.477 407 2HB SER 51 2HB SER 51 3.658 5.282 -9.821 408 HG SER 51 HG SER 51 4.098 3.420 -8.079 409 H LYS 52 H LYS 52 5.529 5.928 -12.660 410 HA LYS 52 HA LYS 52 6.519 8.581 -11.661 411 1HB LYS 52 1HB LYS 52 6.919 7.110 -14.285 412 2HB LYS 52 2HB LYS 52 7.435 8.773 -14.008 413 1HG LYS 52 1HG LYS 52 8.846 8.022 -12.124 414 2HG LYS 52 2HG LYS 52 8.341 6.357 -12.415 415 1HD LYS 52 1HD LYS 52 9.580 7.999 -14.617 416 2HD LYS 52 2HD LYS 52 10.588 7.142 -13.451 417 1HE LYS 52 1HE LYS 52 9.308 5.030 -14.018 418 2HE LYS 52 2HE LYS 52 8.545 5.934 -15.341 419 1HZ LYS 52 1HZ LYS 52 11.476 5.691 -14.911 420 2HZ LYS 52 2HZ LYS 52 10.590 4.805 -16.059 421 3HZ LYS 52 3HZ LYS 52 10.714 6.490 -16.201 422 H THR 53 H THR 53 4.988 10.165 -11.845 423 HA THR 53 HA THR 53 2.732 9.747 -13.770 424 HB THR 53 HB THR 53 2.346 11.877 -11.868 425 HG1 THR 53 HG1 THR 53 2.973 9.382 -10.698 426 1HG2 THR 53 1HG2 THR 53 1.036 9.254 -11.459 427 2HG2 THR 53 2HG2 THR 53 0.320 10.856 -11.643 428 3HG2 THR 53 3HG2 THR 53 0.846 9.956 -13.067 429 HA PRO 54 HA PRO 54 3.859 13.314 -16.058 430 1HB PRO 54 1HB PRO 54 1.465 14.577 -16.465 431 2HB PRO 54 2HB PRO 54 1.908 13.060 -17.276 432 1HG PRO 54 1HG PRO 54 0.144 13.504 -14.922 433 2HG PRO 54 2HG PRO 54 -0.024 12.357 -16.260 434 1HD PRO 54 1HD PRO 54 0.888 11.672 -13.775 435 2HD PRO 54 2HD PRO 54 1.318 10.799 -15.262 436 H ARG 55 H ARG 55 2.277 13.716 -13.008 437 HA ARG 55 HA ARG 55 3.063 16.608 -12.921 438 1HB ARG 55 1HB ARG 55 0.685 16.151 -12.601 439 2HB ARG 55 2HB ARG 55 1.054 14.962 -11.351 440 1HG ARG 55 1HG ARG 55 2.113 16.762 -9.993 441 2HG ARG 55 2HG ARG 55 1.632 17.935 -11.220 442 1HD ARG 55 1HD ARG 55 -0.751 17.316 -10.863 443 2HD ARG 55 2HD ARG 55 -0.248 16.194 -9.584 444 HE ARG 55 HE ARG 55 0.201 19.153 -9.481 445 1HH1 ARG 55 1HH1 ARG 55 1.531 16.637 -7.917 446 2HH1 ARG 55 2HH1 ARG 55 0.858 16.956 -6.353 447 1HH2 ARG 55 1HH2 ARG 55 -1.395 19.322 -7.513 448 2HH2 ARG 55 2HH2 ARG 55 -0.799 18.476 -6.124 449 H GLN 56 H GLN 56 3.628 13.458 -11.559 450 HA GLN 56 HA GLN 56 5.849 14.507 -9.943 451 1HB GLN 56 1HB GLN 56 4.439 14.850 -8.180 452 2HB GLN 56 2HB GLN 56 3.180 13.827 -8.872 453 1HG GLN 56 1HG GLN 56 4.530 11.818 -8.236 454 2HG GLN 56 2HG GLN 56 5.674 12.888 -7.427 455 1HE2 GLN 56 2HE2 GLN 56 5.283 12.712 -5.212 456 2HE2 GLN 56 1HE2 GLN 56 3.746 12.754 -4.492 457 H THR 57 H THR 57 7.221 12.760 -9.168 458 HA THR 57 HA THR 57 6.528 10.050 -10.253 459 HB THR 57 HB THR 57 9.091 10.019 -10.733 460 HG1 THR 57 HG1 THR 57 10.034 11.793 -10.182 461 1HG2 THR 57 1HG2 THR 57 7.719 12.015 -12.476 462 2HG2 THR 57 2HG2 THR 57 8.626 10.570 -12.923 463 3HG2 THR 57 3HG2 THR 57 6.978 10.424 -12.314 464 H VAL 58 H VAL 58 6.989 8.375 -8.834 465 HA VAL 58 HA VAL 58 8.647 9.004 -6.418 466 HB VAL 58 HB VAL 58 5.992 7.534 -6.551 467 1HG1 VAL 58 1HG1 VAL 58 8.022 7.211 -4.717 468 2HG1 VAL 58 2HG1 VAL 58 7.037 8.465 -3.961 469 3HG1 VAL 58 3HG1 VAL 58 6.314 6.914 -4.390 470 1HG2 VAL 58 1HG2 VAL 58 5.944 10.055 -6.877 471 2HG2 VAL 58 2HG2 VAL 58 5.041 9.468 -5.480 472 3HG2 VAL 58 3HG2 VAL 58 6.631 10.200 -5.258 473 H THR 59 H THR 59 10.160 7.423 -6.020 474 HA THR 59 HA THR 59 9.907 4.846 -7.531 475 HB THR 59 HB THR 59 12.378 6.159 -6.365 476 HG1 THR 59 HG1 THR 59 12.385 7.426 -8.024 477 1HG2 THR 59 1HG2 THR 59 12.568 4.493 -8.774 478 2HG2 THR 59 2HG2 THR 59 13.533 4.451 -7.299 479 3HG2 THR 59 3HG2 THR 59 11.979 3.618 -7.360 480 H ASN 60 H ASN 60 9.928 2.940 -6.353 481 HA ASN 60 HA ASN 60 10.554 3.113 -3.425 482 1HB ASN 60 1HB ASN 60 8.304 1.533 -4.703 483 2HB ASN 60 2HB ASN 60 8.561 1.823 -2.982 484 1HD2 ASN 60 2HD2 ASN 60 9.283 4.662 -3.284 485 2HD2 ASN 60 1HD2 ASN 60 7.860 5.486 -3.707 486 H SER 61 H SER 61 11.302 1.074 -2.514 487 HA SER 61 HA SER 61 11.854 -1.158 -4.386 488 1HB SER 61 1HB SER 61 13.692 0.496 -4.649 489 2HB SER 61 2HB SER 61 14.006 0.404 -2.918 490 HG SER 61 HG SER 61 15.295 -1.155 -3.536 491 H PHE 62 H PHE 62 11.522 -3.031 -3.253 492 HA PHE 62 HA PHE 62 12.188 -3.098 -0.343 493 1HB PHE 62 1HB PHE 62 9.940 -4.231 -0.022 494 2HB PHE 62 2HB PHE 62 9.842 -2.526 -0.468 495 HD1 PHE 62 HD1 PHE 62 9.408 -5.994 -1.653 496 HD2 PHE 62 HD2 PHE 62 9.064 -1.834 -2.664 497 HE1 PHE 62 HE1 PHE 62 8.084 -6.593 -3.663 498 HE2 PHE 62 HE2 PHE 62 7.740 -2.432 -4.674 499 HZ PHE 62 HZ PHE 62 7.249 -4.811 -5.173 500 H THR 63 H THR 63 11.919 -5.493 0.434 501 HA THR 63 HA THR 63 12.911 -7.312 -1.739 502 HB THR 63 HB THR 63 13.504 -7.354 1.237 503 HG1 THR 63 HG1 THR 63 15.106 -6.045 0.836 504 1HG2 THR 63 1HG2 THR 63 14.908 -8.692 -1.089 505 2HG2 THR 63 2HG2 THR 63 15.284 -8.887 0.623 506 3HG2 THR 63 3HG2 THR 63 13.762 -9.501 -0.022 507 H LEU 64 H LEU 64 12.134 -9.494 -1.678 508 HA LEU 64 HA LEU 64 9.449 -9.820 -0.569 509 1HB LEU 64 1HB LEU 64 11.402 -11.430 -2.203 510 2HB LEU 64 2HB LEU 64 9.933 -12.186 -1.585 511 HG LEU 64 HG LEU 64 9.636 -9.543 -2.930 512 1HD1 LEU 64 1HD1 LEU 64 10.812 -11.912 -4.202 513 2HD1 LEU 64 2HD1 LEU 64 9.360 -11.336 -5.019 514 3HD1 LEU 64 3HD1 LEU 64 10.730 -10.250 -4.785 515 1HD2 LEU 64 1HD2 LEU 64 8.078 -12.150 -2.962 516 2HD2 LEU 64 2HD2 LEU 64 7.707 -10.739 -1.970 517 3HD2 LEU 64 3HD2 LEU 64 7.560 -10.646 -3.725 518 H GLY 65 H GLY 65 9.029 -10.602 1.458 519 1HA GLY 65 1HA GLY 65 9.256 -12.226 3.225 520 2HA GLY 65 2HA GLY 65 10.887 -12.582 2.653 521 H LYS 66 H LYS 66 10.318 -9.251 2.728 522 HA LYS 66 HA LYS 66 11.322 -8.969 5.526 523 1HB LYS 66 1HB LYS 66 12.592 -7.905 2.983 524 2HB LYS 66 2HB LYS 66 13.090 -7.432 4.608 525 1HG LYS 66 1HG LYS 66 13.546 -9.828 5.127 526 2HG LYS 66 2HG LYS 66 13.148 -10.238 3.458 527 1HD LYS 66 1HD LYS 66 14.952 -8.722 2.674 528 2HD LYS 66 2HD LYS 66 15.374 -8.382 4.353 529 1HE LYS 66 1HE LYS 66 15.821 -10.812 4.710 530 2HE LYS 66 2HE LYS 66 15.494 -11.095 2.988 531 1HZ LYS 66 1HZ LYS 66 17.170 -9.350 2.500 532 2HZ LYS 66 2HZ LYS 66 17.576 -9.324 4.149 533 3HZ LYS 66 3HZ LYS 66 17.826 -10.731 3.232 534 H GLU 67 H GLU 67 10.574 -7.080 6.511 535 HA GLU 67 HA GLU 67 8.379 -5.648 5.293 536 1HB GLU 67 1HB GLU 67 8.737 -6.120 7.731 537 2HB GLU 67 2HB GLU 67 10.078 -4.974 7.717 538 1HG GLU 67 1HG GLU 67 8.541 -3.183 6.989 539 2HG GLU 67 2HG GLU 67 7.199 -4.327 7.013 540 H ALA 68 H ALA 68 8.539 -3.946 3.891 541 HA ALA 68 HA ALA 68 11.048 -2.297 3.946 542 1HB ALA 68 1HB ALA 68 10.830 -3.883 2.021 543 2HB ALA 68 2HB ALA 68 9.324 -3.082 1.573 544 3HB ALA 68 3HB ALA 68 10.848 -2.196 1.508 545 H ASP 69 H ASP 69 10.742 -0.038 3.593 546 HA ASP 69 HA ASP 69 8.094 0.991 4.329 547 1HB ASP 69 1HB ASP 69 10.714 2.332 3.581 548 2HB ASP 69 2HB ASP 69 9.333 3.139 4.324 549 H ILE 70 H ILE 70 6.652 2.009 2.936 550 HA ILE 70 HA ILE 70 7.511 2.402 0.090 551 HB ILE 70 HB ILE 70 5.193 0.912 1.296 552 1HG1 ILE 70 1HG1 ILE 70 7.191 -0.326 0.561 553 2HG1 ILE 70 2HG1 ILE 70 5.815 -0.709 -0.475 554 1HG2 ILE 70 1HG2 ILE 70 4.352 2.727 -0.286 555 2HG2 ILE 70 2HG2 ILE 70 5.241 1.899 -1.565 556 3HG2 ILE 70 3HG2 ILE 70 3.925 1.074 -0.729 557 1HD1 ILE 70 1HD1 ILE 70 6.697 1.247 -1.960 558 2HD1 ILE 70 2HD1 ILE 70 8.207 1.015 -1.080 559 3HD1 ILE 70 3HD1 ILE 70 7.528 -0.307 -2.029 560 H THR 71 H THR 71 6.608 4.243 -0.903 561 HA THR 71 HA THR 71 4.955 6.002 0.880 562 HB THR 71 HB THR 71 7.216 6.828 0.479 563 HG1 THR 71 HG1 THR 71 6.501 8.758 0.059 564 1HG2 THR 71 1HG2 THR 71 7.877 7.337 -1.920 565 2HG2 THR 71 2HG2 THR 71 7.834 5.626 -1.498 566 3HG2 THR 71 3HG2 THR 71 6.511 6.340 -2.421 567 H THR 72 H THR 72 3.035 6.781 0.023 568 HA THR 72 HA THR 72 2.144 5.689 -2.570 569 HB THR 72 HB THR 72 0.364 7.546 -1.195 570 HG1 THR 72 HG1 THR 72 1.607 5.461 0.263 571 1HG2 THR 72 1HG2 THR 72 -0.679 5.040 -0.898 572 2HG2 THR 72 2HG2 THR 72 -0.862 6.020 -2.353 573 3HG2 THR 72 3HG2 THR 72 0.404 4.795 -2.268 574 H MET 73 H MET 73 1.271 7.096 -4.260 575 HA MET 73 HA MET 73 2.912 9.382 -4.860 576 1HB MET 73 1HB MET 73 1.398 7.667 -6.262 577 2HB MET 73 2HB MET 73 0.232 8.983 -6.119 578 1HG MET 73 1HG MET 73 2.071 10.540 -6.942 579 2HG MET 73 2HG MET 73 3.001 9.094 -7.333 580 1HE MET 73 1HE MET 73 1.923 7.079 -8.667 581 2HE MET 73 2HE MET 73 0.341 7.223 -7.886 582 3HE MET 73 3HE MET 73 0.460 7.187 -9.644 583 H ASP 74 H ASP 74 0.063 9.012 -2.949 584 HA ASP 74 HA ASP 74 -0.832 11.805 -3.258 585 1HB ASP 74 1HB ASP 74 -2.556 11.068 -1.663 586 2HB ASP 74 2HB ASP 74 -2.370 9.873 -2.948 587 H GLY 75 H GLY 75 1.527 10.161 -1.437 588 1HA GLY 75 1HA GLY 75 3.066 11.411 -0.018 589 2HA GLY 75 2HA GLY 75 1.740 12.497 0.399 590 H LYS 76 H LYS 76 1.473 8.979 0.342 591 HA LYS 76 HA LYS 76 0.898 9.067 3.278 592 1HB LYS 76 1HB LYS 76 -0.220 7.765 0.910 593 2HB LYS 76 2HB LYS 76 0.074 6.621 2.221 594 1HG LYS 76 1HG LYS 76 -1.131 8.196 3.770 595 2HG LYS 76 2HG LYS 76 -1.555 9.172 2.364 596 1HD LYS 76 1HD LYS 76 -2.643 7.165 1.350 597 2HD LYS 76 2HD LYS 76 -2.309 6.273 2.835 598 1HE LYS 76 1HE LYS 76 -3.625 7.977 4.114 599 2HE LYS 76 2HE LYS 76 -4.047 8.753 2.573 600 1HZ LYS 76 1HZ LYS 76 -4.487 5.873 3.152 601 2HZ LYS 76 2HZ LYS 76 -5.689 7.061 3.326 602 3HZ LYS 76 3HZ LYS 76 -5.030 6.742 1.797 603 H LYS 77 H LYS 77 2.242 7.941 4.652 604 HA LYS 77 HA LYS 77 4.390 6.260 3.412 605 1HB LYS 77 1HB LYS 77 4.890 8.380 4.746 606 2HB LYS 77 2HB LYS 77 4.294 7.520 6.166 607 1HG LYS 77 1HG LYS 77 5.983 5.777 5.860 608 2HG LYS 77 2HG LYS 77 6.548 6.554 4.380 609 1HD LYS 77 1HD LYS 77 7.065 8.608 5.742 610 2HD LYS 77 2HD LYS 77 6.682 7.678 7.191 611 1HE LYS 77 1HE LYS 77 8.947 7.230 7.115 612 2HE LYS 77 2HE LYS 77 8.419 5.966 5.986 613 1HZ LYS 77 1HZ LYS 77 8.574 7.677 4.198 614 2HZ LYS 77 2HZ LYS 77 9.325 8.713 5.316 615 3HZ LYS 77 3HZ LYS 77 10.069 7.250 4.877 616 H LEU 78 H LEU 78 4.533 4.109 4.014 617 HA LEU 78 HA LEU 78 3.410 3.079 6.496 618 1HB LEU 78 1HB LEU 78 1.577 1.822 5.440 619 2HB LEU 78 2HB LEU 78 1.386 3.545 5.120 620 HG LEU 78 HG LEU 78 3.045 2.248 3.105 621 1HD1 LEU 78 1HD1 LEU 78 0.695 0.823 4.009 622 2HD1 LEU 78 2HD1 LEU 78 0.468 1.383 2.353 623 3HD1 LEU 78 3HD1 LEU 78 1.852 0.369 2.758 624 1HD2 LEU 78 1HD2 LEU 78 1.479 4.476 3.306 625 2HD2 LEU 78 2HD2 LEU 78 1.997 3.777 1.773 626 3HD2 LEU 78 3HD2 LEU 78 0.403 3.394 2.423 627 H LYS 79 H LYS 79 3.829 0.752 6.702 628 HA LYS 79 HA LYS 79 6.008 -0.159 4.875 629 1HB LYS 79 1HB LYS 79 5.133 -1.265 7.557 630 2HB LYS 79 2HB LYS 79 6.685 -1.504 6.754 631 1HG LYS 79 1HG LYS 79 7.409 0.669 7.210 632 2HG LYS 79 2HG LYS 79 5.766 1.282 7.401 633 1HD LYS 79 1HD LYS 79 6.748 -0.816 9.302 634 2HD LYS 79 2HD LYS 79 7.285 0.849 9.526 635 1HE LYS 79 1HE LYS 79 5.141 1.619 10.015 636 2HE LYS 79 2HE LYS 79 4.356 0.321 9.096 637 1HZ LYS 79 1HZ LYS 79 5.321 -1.260 10.740 638 2HZ LYS 79 2HZ LYS 79 5.801 0.073 11.678 639 3HZ LYS 79 3HZ LYS 79 4.152 -0.219 11.393 640 H CYS 80 H CYS 80 6.015 -2.653 4.591 641 HA CYS 80 HA CYS 80 3.581 -4.168 4.784 642 1HB CYS 80 1HB CYS 80 2.934 -4.033 2.381 643 2HB CYS 80 2HB CYS 80 2.825 -2.464 3.179 644 HG CYS 80 HG CYS 80 5.390 -2.147 2.132 645 H THR 81 H THR 81 4.093 -6.316 4.396 646 HA THR 81 HA THR 81 6.825 -6.899 3.375 647 HB THR 81 HB THR 81 4.793 -8.769 4.615 648 HG1 THR 81 HG1 THR 81 5.228 -7.936 6.495 649 1HG2 THR 81 1HG2 THR 81 7.819 -8.783 4.691 650 2HG2 THR 81 2HG2 THR 81 6.733 -10.063 5.233 651 3HG2 THR 81 3HG2 THR 81 6.866 -9.688 3.515 652 H VAL 82 H VAL 82 6.633 -6.885 1.104 653 HA VAL 82 HA VAL 82 4.381 -8.043 -0.311 654 HB VAL 82 HB VAL 82 7.207 -7.381 -1.204 655 1HG1 VAL 82 1HG1 VAL 82 4.607 -7.872 -2.666 656 2HG1 VAL 82 2HG1 VAL 82 5.936 -6.977 -3.402 657 3HG1 VAL 82 3HG1 VAL 82 6.165 -8.659 -2.919 658 1HG2 VAL 82 1HG2 VAL 82 5.374 -5.657 -0.086 659 2HG2 VAL 82 2HG2 VAL 82 6.633 -5.181 -1.225 660 3HG2 VAL 82 3HG2 VAL 82 5.003 -5.520 -1.805 661 H HIS 83 H HIS 83 4.173 -10.131 -1.122 662 HA HIS 83 HA HIS 83 6.503 -11.988 -0.855 663 1HB HIS 83 1HB HIS 83 4.914 -13.633 0.152 664 2HB HIS 83 2HB HIS 83 5.093 -12.184 1.142 665 HD1 HIS 83 HD1 HIS 83 2.999 -10.892 1.651 666 HD2 HIS 83 HD2 HIS 83 2.450 -13.570 -1.496 667 HE1 HIS 83 HE1 HIS 83 0.531 -10.836 1.086 668 H LEU 84 H LEU 84 6.211 -13.960 -2.196 669 HA LEU 84 HA LEU 84 4.547 -13.387 -4.614 670 1HB LEU 84 1HB LEU 84 7.090 -14.884 -4.016 671 2HB LEU 84 2HB LEU 84 6.186 -15.239 -5.489 672 HG LEU 84 HG LEU 84 7.070 -12.456 -4.677 673 1HD1 LEU 84 1HD1 LEU 84 8.301 -14.445 -6.607 674 2HD1 LEU 84 2HD1 LEU 84 8.747 -12.740 -6.520 675 3HD1 LEU 84 3HD1 LEU 84 9.042 -13.801 -5.142 676 1HD2 LEU 84 1HD2 LEU 84 5.593 -13.664 -6.987 677 2HD2 LEU 84 2HD2 LEU 84 5.322 -12.126 -6.168 678 3HD2 LEU 84 3HD2 LEU 84 6.661 -12.297 -7.302 679 H ALA 85 H ALA 85 2.846 -14.743 -5.078 680 HA ALA 85 HA ALA 85 2.753 -17.421 -3.736 681 1HB ALA 85 1HB ALA 85 0.712 -15.191 -3.810 682 2HB ALA 85 2HB ALA 85 0.252 -16.855 -3.450 683 3HB ALA 85 3HB ALA 85 1.383 -16.004 -2.396 684 H ASN 86 H ASN 86 2.690 -18.876 -5.407 685 HA ASN 86 HA ASN 86 2.031 -19.899 -7.435 686 1HB ASN 86 1HB ASN 86 -0.173 -19.382 -6.281 687 2HB ASN 86 2HB ASN 86 -0.250 -17.910 -7.250 688 1HD2 ASN 86 2HD2 ASN 86 -1.761 -18.325 -8.881 689 2HD2 ASN 86 1HD2 ASN 86 -1.775 -19.715 -9.855 690 H GLY 87 H GLY 87 3.757 -17.459 -7.463 691 1HA GLY 87 1HA GLY 87 4.776 -16.207 -9.180 692 2HA GLY 87 2HA GLY 87 3.657 -16.953 -10.320 693 H LYS 88 H LYS 88 2.949 -15.011 -7.416 694 HA LYS 88 HA LYS 88 1.979 -12.777 -9.105 695 1HB LYS 88 1HB LYS 88 0.245 -14.524 -7.332 696 2HB LYS 88 2HB LYS 88 -0.284 -12.979 -8.000 697 1HG LYS 88 1HG LYS 88 0.196 -13.852 -10.290 698 2HG LYS 88 2HG LYS 88 0.582 -15.418 -9.576 699 1HD LYS 88 1HD LYS 88 -1.727 -15.396 -8.531 700 2HD LYS 88 2HD LYS 88 -2.083 -13.983 -9.525 701 1HE LYS 88 1HE LYS 88 -1.851 -15.218 -11.552 702 2HE LYS 88 2HE LYS 88 -1.064 -16.574 -10.722 703 1HZ LYS 88 1HZ LYS 88 -3.080 -16.911 -9.430 704 2HZ LYS 88 2HZ LYS 88 -3.842 -15.630 -10.245 705 3HZ LYS 88 3HZ LYS 88 -3.413 -17.036 -11.091 706 H LEU 89 H LEU 89 2.731 -10.979 -8.060 707 HA LEU 89 HA LEU 89 3.627 -11.026 -5.303 708 1HB LEU 89 1HB LEU 89 4.462 -9.641 -7.287 709 2HB LEU 89 2HB LEU 89 3.038 -8.627 -7.054 710 HG LEU 89 HG LEU 89 4.710 -9.224 -4.655 711 1HD1 LEU 89 1HD1 LEU 89 6.208 -8.581 -6.686 712 2HD1 LEU 89 2HD1 LEU 89 5.486 -6.981 -6.512 713 3HD1 LEU 89 3HD1 LEU 89 6.409 -7.682 -5.182 714 1HD2 LEU 89 1HD2 LEU 89 3.090 -6.901 -5.723 715 2HD2 LEU 89 2HD2 LEU 89 2.759 -7.889 -4.301 716 3HD2 LEU 89 3HD2 LEU 89 4.111 -6.757 -4.292 717 H VAL 90 H VAL 90 2.462 -10.503 -3.478 718 HA VAL 90 HA VAL 90 -0.111 -9.018 -3.787 719 HB VAL 90 HB VAL 90 0.339 -11.677 -2.393 720 1HG1 VAL 90 1HG1 VAL 90 -1.937 -9.708 -2.364 721 2HG1 VAL 90 2HG1 VAL 90 -2.257 -11.433 -2.175 722 3HG1 VAL 90 3HG1 VAL 90 -1.223 -10.596 -1.018 723 1HG2 VAL 90 1HG2 VAL 90 -0.585 -10.883 -5.041 724 2HG2 VAL 90 2HG2 VAL 90 -0.191 -12.491 -4.434 725 3HG2 VAL 90 3HG2 VAL 90 -1.806 -11.825 -4.184 726 H THR 91 H THR 91 -0.059 -7.349 -2.339 727 HA THR 91 HA THR 91 1.593 -7.674 0.144 728 HB THR 91 HB THR 91 0.793 -5.249 -1.496 729 HG1 THR 91 HG1 THR 91 3.259 -6.566 -1.029 730 1HG2 THR 91 1HG2 THR 91 2.588 -4.207 0.106 731 2HG2 THR 91 2HG2 THR 91 0.925 -4.380 0.666 732 3HG2 THR 91 3HG2 THR 91 2.150 -5.546 1.166 733 H LYS 92 H LYS 92 -0.135 -8.536 1.446 734 HA LYS 92 HA LYS 92 -2.678 -7.052 1.646 735 1HB LYS 92 1HB LYS 92 -3.219 -8.897 3.206 736 2HB LYS 92 2HB LYS 92 -2.549 -9.523 1.698 737 1HG LYS 92 1HG LYS 92 -0.302 -9.622 2.785 738 2HG LYS 92 2HG LYS 92 -1.049 -9.122 4.302 739 1HD LYS 92 1HD LYS 92 -2.498 -11.107 4.264 740 2HD LYS 92 2HD LYS 92 -1.786 -11.608 2.729 741 1HE LYS 92 1HE LYS 92 0.419 -11.833 3.792 742 2HE LYS 92 2HE LYS 92 -0.255 -11.275 5.335 743 1HZ LYS 92 1HZ LYS 92 -1.862 -13.096 5.234 744 2HZ LYS 92 2HZ LYS 92 -1.155 -13.654 3.796 745 3HZ LYS 92 3HZ LYS 92 -0.268 -13.686 5.244 746 H SER 93 H SER 93 -3.428 -6.286 3.807 747 HA SER 93 HA SER 93 -1.357 -5.777 5.854 748 1HB SER 93 1HB SER 93 -0.951 -3.988 4.279 749 2HB SER 93 2HB SER 93 -2.674 -3.643 4.150 750 HG SER 93 HG SER 93 -1.557 -2.209 5.573 751 H GLU 94 H GLU 94 -2.704 -3.815 7.293 752 HA GLU 94 HA GLU 94 -5.189 -5.270 8.093 753 1HB GLU 94 1HB GLU 94 -3.184 -4.836 9.638 754 2HB GLU 94 2HB GLU 94 -3.659 -3.137 9.602 755 1HG GLU 94 1HG GLU 94 -5.981 -3.897 10.322 756 2HG GLU 94 2HG GLU 94 -5.274 -5.485 10.621 757 H LYS 95 H LYS 95 -5.052 -3.329 5.820 758 HA LYS 95 HA LYS 95 -7.408 -1.768 6.465 759 1HB LYS 95 1HB LYS 95 -6.320 0.437 6.431 760 2HB LYS 95 2HB LYS 95 -5.623 -0.555 7.712 761 1HG LYS 95 1HG LYS 95 -3.591 -0.664 6.694 762 2HG LYS 95 2HG LYS 95 -4.299 -0.833 5.087 763 1HD LYS 95 1HD LYS 95 -4.583 1.494 4.831 764 2HD LYS 95 2HD LYS 95 -4.430 1.792 6.563 765 1HE LYS 95 1HE LYS 95 -2.017 0.566 5.937 766 2HE LYS 95 2HE LYS 95 -2.326 1.607 4.532 767 1HZ LYS 95 1HZ LYS 95 -2.885 3.410 6.096 768 2HZ LYS 95 2HZ LYS 95 -2.422 2.416 7.390 769 3HZ LYS 95 3HZ LYS 95 -1.269 2.904 6.242 770 H PHE 96 H PHE 96 -5.218 -3.125 4.331 771 HA PHE 96 HA PHE 96 -6.772 -2.422 1.994 772 1HB PHE 96 1HB PHE 96 -5.223 -0.908 0.947 773 2HB PHE 96 2HB PHE 96 -5.470 -0.309 2.588 774 HD1 PHE 96 HD1 PHE 96 -3.319 -2.919 0.943 775 HD2 PHE 96 HD2 PHE 96 -3.533 0.415 3.644 776 HE1 PHE 96 HE1 PHE 96 -0.887 -3.122 1.386 777 HE2 PHE 96 HE2 PHE 96 -1.101 0.211 4.087 778 HZ PHE 96 HZ PHE 96 0.221 -1.557 2.958 779 H SER 97 H SER 97 -6.155 -3.728 0.207 780 HA SER 97 HA SER 97 -3.832 -5.568 0.690 781 1HB SER 97 1HB SER 97 -6.573 -6.104 -0.496 782 2HB SER 97 2HB SER 97 -5.275 -7.289 -0.410 783 HG SER 97 HG SER 97 -6.862 -6.191 1.608 784 H HIS 98 H HIS 98 -2.734 -6.279 -1.254 785 HA HIS 98 HA HIS 98 -3.453 -4.847 -3.775 786 1HB HIS 98 1HB HIS 98 -1.801 -3.541 -2.411 787 2HB HIS 98 2HB HIS 98 -0.700 -4.917 -2.499 788 HD2 HIS 98 HD2 HIS 98 -1.768 -1.888 -4.679 789 HE1 HIS 98 HE1 HIS 98 0.634 -4.369 -7.127 790 HE2 HIS 98 HE2 HIS 98 -0.495 -2.126 -6.922 791 H GLU 99 H GLU 99 -3.015 -6.084 -5.609 792 HA GLU 99 HA GLU 99 -1.226 -8.439 -5.404 793 1HB GLU 99 1HB GLU 99 -3.394 -9.222 -4.579 794 2HB GLU 99 2HB GLU 99 -4.200 -8.557 -6.000 795 1HG GLU 99 1HG GLU 99 -3.180 -10.136 -7.453 796 2HG GLU 99 2HG GLU 99 -1.992 -10.605 -6.237 797 H GLN 100 H GLN 100 -0.108 -8.557 -7.312 798 HA GLN 100 HA GLN 100 -1.422 -7.505 -9.795 799 1HB GLN 100 1HB GLN 100 0.171 -5.881 -8.898 800 2HB GLN 100 2HB GLN 100 1.413 -7.127 -8.777 801 1HG GLN 100 1HG GLN 100 1.473 -7.392 -11.184 802 2HG GLN 100 2HG GLN 100 0.094 -6.310 -11.379 803 1HE2 GLN 100 2HE2 GLN 100 3.106 -6.022 -9.405 804 2HE2 GLN 100 1HE2 GLN 100 3.556 -4.518 -10.051 805 H GLU 101 H GLU 101 -0.820 -8.620 -11.732 806 HA GLU 101 HA GLU 101 1.020 -10.944 -11.491 807 1HB GLU 101 1HB GLU 101 -0.763 -12.440 -12.348 808 2HB GLU 101 2HB GLU 101 -1.231 -11.708 -10.813 809 1HG GLU 101 1HG GLU 101 -2.486 -9.959 -12.060 810 2HG GLU 101 2HG GLU 101 -2.077 -10.774 -13.570 811 H VAL 102 H VAL 102 1.728 -11.712 -13.587 812 HA VAL 102 HA VAL 102 1.097 -9.832 -15.842 813 HB VAL 102 HB VAL 102 3.374 -9.668 -14.820 814 1HG1 VAL 102 1HG1 VAL 102 3.154 -12.458 -14.736 815 2HG1 VAL 102 2HG1 VAL 102 4.368 -12.148 -15.976 816 3HG1 VAL 102 3HG1 VAL 102 4.589 -11.510 -14.347 817 1HG2 VAL 102 1HG2 VAL 102 2.770 -9.460 -17.382 818 2HG2 VAL 102 2HG2 VAL 102 4.459 -9.462 -16.874 819 3HG2 VAL 102 3HG2 VAL 102 3.732 -10.933 -17.521 820 H LYS 103 H LYS 103 0.311 -10.804 -17.680 821 HA LYS 103 HA LYS 103 0.632 -13.778 -17.943 822 1HB LYS 103 1HB LYS 103 -1.730 -11.939 -18.126 823 2HB LYS 103 2HB LYS 103 -1.714 -13.389 -19.131 824 1HG LYS 103 1HG LYS 103 -1.122 -13.512 -16.172 825 2HG LYS 103 2HG LYS 103 -2.772 -13.602 -16.791 826 1HD LYS 103 1HD LYS 103 -2.216 -15.556 -18.129 827 2HD LYS 103 2HD LYS 103 -0.517 -15.428 -17.671 828 1HE LYS 103 1HE LYS 103 -1.072 -15.880 -15.329 829 2HE LYS 103 2HE LYS 103 -2.802 -15.916 -15.725 830 1HZ LYS 103 1HZ LYS 103 -0.786 -17.636 -17.061 831 2HZ LYS 103 2HZ LYS 103 -1.688 -18.144 -15.715 832 3HZ LYS 103 3HZ LYS 103 -2.478 -17.753 -17.164 833 H GLY 104 H GLY 104 2.369 -13.546 -19.469 834 1HA GLY 104 1HA GLY 104 3.112 -13.521 -21.713 835 2HA GLY 104 2HA GLY 104 1.501 -12.990 -22.199 836 H ASN 105 H ASN 105 1.084 -10.770 -22.378 837 HA ASN 105 HA ASN 105 3.425 -8.956 -21.880 838 1HB ASN 105 1HB ASN 105 1.496 -9.181 -24.206 839 2HB ASN 105 2HB ASN 105 2.548 -7.783 -23.975 840 1HD2 ASN 105 2HD2 ASN 105 4.919 -9.004 -23.078 841 2HD2 ASN 105 1HD2 ASN 105 5.527 -10.022 -24.292 842 H GLU 106 H GLU 106 0.629 -9.643 -20.553 843 HA GLU 106 HA GLU 106 -0.248 -6.783 -20.297 844 1HB GLU 106 1HB GLU 106 -1.841 -9.369 -20.231 845 2HB GLU 106 2HB GLU 106 -2.521 -7.764 -19.959 846 1HG GLU 106 1HG GLU 106 -2.389 -7.181 -22.172 847 2HG GLU 106 2HG GLU 106 -0.908 -8.105 -22.432 848 H MET 107 H MET 107 -0.853 -6.125 -18.159 849 HA MET 107 HA MET 107 -0.098 -8.042 -15.977 850 1HB MET 107 1HB MET 107 1.595 -6.285 -16.422 851 2HB MET 107 2HB MET 107 0.363 -5.046 -16.177 852 1HG MET 107 1HG MET 107 1.119 -5.085 -14.024 853 2HG MET 107 2HG MET 107 0.066 -6.494 -13.893 854 1HE MET 107 1HE MET 107 3.296 -5.054 -14.814 855 2HE MET 107 2HE MET 107 3.760 -5.392 -13.149 856 3HE MET 107 3HE MET 107 4.560 -6.243 -14.467 857 H VAL 108 H VAL 108 -1.531 -8.119 -14.239 858 HA VAL 108 HA VAL 108 -3.852 -6.214 -14.310 859 HB VAL 108 HB VAL 108 -3.751 -9.175 -13.638 860 1HG1 VAL 108 1HG1 VAL 108 -5.921 -7.090 -13.502 861 2HG1 VAL 108 2HG1 VAL 108 -6.327 -8.781 -13.794 862 3HG1 VAL 108 3HG1 VAL 108 -5.491 -8.319 -12.312 863 1HG2 VAL 108 1HG2 VAL 108 -4.779 -7.609 -16.020 864 2HG2 VAL 108 2HG2 VAL 108 -3.564 -8.888 -16.014 865 3HG2 VAL 108 3HG2 VAL 108 -5.255 -9.277 -15.698 866 H GLU 109 H GLU 109 -3.984 -5.042 -12.439 867 HA GLU 109 HA GLU 109 -2.703 -6.167 -9.971 868 1HB GLU 109 1HB GLU 109 -3.133 -3.341 -10.984 869 2HB GLU 109 2HB GLU 109 -2.502 -3.714 -9.380 870 1HG GLU 109 1HG GLU 109 -0.514 -4.609 -10.224 871 2HG GLU 109 2HG GLU 109 -1.219 -4.937 -11.807 872 H THR 110 H THR 110 -4.155 -6.705 -8.392 873 HA THR 110 HA THR 110 -6.864 -5.419 -8.458 874 HB THR 110 HB THR 110 -5.923 -8.048 -7.266 875 HG1 THR 110 HG1 THR 110 -7.093 -8.885 -9.091 876 1HG2 THR 110 1HG2 THR 110 -8.560 -8.350 -7.562 877 2HG2 THR 110 2HG2 THR 110 -7.869 -7.637 -6.105 878 3HG2 THR 110 3HG2 THR 110 -8.527 -6.598 -7.368 879 H ILE 111 H ILE 111 -7.225 -3.989 -6.810 880 HA ILE 111 HA ILE 111 -5.781 -4.420 -4.215 881 HB ILE 111 HB ILE 111 -6.384 -1.822 -5.669 882 1HG1 ILE 111 1HG1 ILE 111 -3.738 -3.227 -5.181 883 2HG1 ILE 111 2HG1 ILE 111 -4.602 -3.231 -6.718 884 1HG2 ILE 111 1HG2 ILE 111 -6.382 -1.641 -3.190 885 2HG2 ILE 111 2HG2 ILE 111 -4.774 -2.366 -3.154 886 3HG2 ILE 111 3HG2 ILE 111 -5.015 -0.791 -3.912 887 1HD1 ILE 111 1HD1 ILE 111 -4.524 -0.712 -6.681 888 2HD1 ILE 111 2HD1 ILE 111 -3.477 -0.821 -5.266 889 3HD1 ILE 111 3HD1 ILE 111 -2.940 -1.477 -6.814 890 H THR 112 H THR 112 -7.185 -4.540 -2.507 891 HA THR 112 HA THR 112 -9.983 -3.541 -2.912 892 HB THR 112 HB THR 112 -8.848 -5.666 -1.062 893 HG1 THR 112 HG1 THR 112 -10.243 -5.794 -3.525 894 1HG2 THR 112 1HG2 THR 112 -11.387 -6.263 -1.047 895 2HG2 THR 112 2HG2 THR 112 -10.822 -4.936 -0.033 896 3HG2 THR 112 3HG2 THR 112 -11.611 -4.594 -1.573 897 H PHE 113 H PHE 113 -10.703 -1.946 -1.534 898 HA PHE 113 HA PHE 113 -9.439 -1.554 1.109 899 1HB PHE 113 1HB PHE 113 -8.046 -0.417 -0.705 900 2HB PHE 113 2HB PHE 113 -9.425 0.651 -0.970 901 HD1 PHE 113 HD1 PHE 113 -10.448 1.690 1.271 902 HD2 PHE 113 HD2 PHE 113 -6.423 0.257 0.825 903 HE1 PHE 113 HE1 PHE 113 -9.739 3.087 3.193 904 HE2 PHE 113 HE2 PHE 113 -5.714 1.654 2.748 905 HZ PHE 113 HZ PHE 113 -7.371 3.070 3.931 906 H GLY 114 H GLY 114 -11.146 -1.130 2.448 907 1HA GLY 114 1HA GLY 114 -13.117 -0.109 3.243 908 2HA GLY 114 2HA GLY 114 -13.114 0.908 1.801 909 H GLY 115 H GLY 115 -13.017 -2.612 1.695 910 1HA GLY 115 1HA GLY 115 -14.660 -4.166 1.022 911 2HA GLY 115 2HA GLY 115 -15.876 -2.907 1.239 912 H VAL 116 H VAL 116 -13.497 -1.583 -0.637 913 HA VAL 116 HA VAL 116 -15.022 -2.213 -3.136 914 HB VAL 116 HB VAL 116 -13.223 0.114 -2.380 915 1HG1 VAL 116 1HG1 VAL 116 -14.988 -0.430 -4.784 916 2HG1 VAL 116 2HG1 VAL 116 -14.329 1.160 -4.399 917 3HG1 VAL 116 3HG1 VAL 116 -13.243 -0.177 -4.777 918 1HG2 VAL 116 1HG2 VAL 116 -16.173 -0.396 -2.187 919 2HG2 VAL 116 2HG2 VAL 116 -15.112 0.459 -1.067 920 3HG2 VAL 116 3HG2 VAL 116 -15.620 1.236 -2.566 921 H THR 117 H THR 117 -13.894 -3.001 -4.930 922 HA THR 117 HA THR 117 -10.960 -3.507 -4.547 923 HB THR 117 HB THR 117 -13.068 -5.110 -6.034 924 HG1 THR 117 HG1 THR 117 -12.781 -6.549 -4.294 925 1HG2 THR 117 1HG2 THR 117 -10.997 -6.798 -5.667 926 2HG2 THR 117 2HG2 THR 117 -11.166 -5.796 -7.109 927 3HG2 THR 117 3HG2 THR 117 -10.111 -5.279 -5.794 928 H LEU 118 H LEU 118 -9.654 -2.641 -6.120 929 HA LEU 118 HA LEU 118 -10.972 -1.542 -8.577 930 1HB LEU 118 1HB LEU 118 -9.935 0.116 -7.137 931 2HB LEU 118 2HB LEU 118 -8.445 -0.826 -7.056 932 HG LEU 118 HG LEU 118 -8.153 -0.546 -9.504 933 1HD1 LEU 118 1HD1 LEU 118 -10.830 0.705 -9.178 934 2HD1 LEU 118 2HD1 LEU 118 -9.725 1.509 -10.294 935 3HD1 LEU 118 3HD1 LEU 118 -10.161 -0.181 -10.548 936 1HD2 LEU 118 1HD2 LEU 118 -8.534 1.996 -7.892 937 2HD2 LEU 118 2HD2 LEU 118 -7.051 1.054 -8.044 938 3HD2 LEU 118 3HD2 LEU 118 -7.687 1.925 -9.438 939 H ILE 119 H ILE 119 -10.180 -2.176 -10.593 940 HA ILE 119 HA ILE 119 -8.008 -4.245 -10.579 941 HB ILE 119 HB ILE 119 -10.346 -3.778 -12.459 942 1HG1 ILE 119 1HG1 ILE 119 -9.882 -6.030 -10.483 943 2HG1 ILE 119 2HG1 ILE 119 -10.878 -4.618 -10.127 944 1HG2 ILE 119 1HG2 ILE 119 -8.201 -4.826 -13.401 945 2HG2 ILE 119 2HG2 ILE 119 -8.524 -6.186 -12.327 946 3HG2 ILE 119 3HG2 ILE 119 -9.681 -5.766 -13.588 947 1HD1 ILE 119 1HD1 ILE 119 -11.406 -6.140 -12.652 948 2HD1 ILE 119 2HD1 ILE 119 -11.972 -6.816 -11.125 949 3HD1 ILE 119 3HD1 ILE 119 -12.526 -5.224 -11.643 950 H ARG 120 H ARG 120 -6.156 -3.093 -11.137 951 HA ARG 120 HA ARG 120 -6.336 -1.148 -13.402 952 1HB ARG 120 1HB ARG 120 -5.434 -0.535 -11.099 953 2HB ARG 120 2HB ARG 120 -4.081 -1.617 -11.434 954 1HG ARG 120 1HG ARG 120 -3.387 -0.308 -13.320 955 2HG ARG 120 2HG ARG 120 -4.871 0.645 -13.284 956 1HD ARG 120 1HD ARG 120 -3.332 2.074 -12.210 957 2HD ARG 120 2HD ARG 120 -4.083 1.243 -10.833 958 HE ARG 120 HE ARG 120 -2.124 -0.181 -10.671 959 1HH1 ARG 120 1HH1 ARG 120 -1.041 2.692 -11.142 960 2HH1 ARG 120 2HH1 ARG 120 0.240 2.356 -12.256 961 1HH2 ARG 120 1HH2 ARG 120 -0.878 -0.844 -12.986 962 2HH2 ARG 120 2HH2 ARG 120 0.332 0.353 -13.300 963 H ARG 121 H ARG 121 -5.709 -1.983 -15.353 964 HA ARG 121 HA ARG 121 -3.846 -4.316 -15.397 965 1HB ARG 121 1HB ARG 121 -4.743 -4.003 -17.939 966 2HB ARG 121 2HB ARG 121 -5.637 -4.900 -16.711 967 1HG ARG 121 1HG ARG 121 -6.921 -2.889 -16.142 968 2HG ARG 121 2HG ARG 121 -6.001 -1.951 -17.319 969 1HD ARG 121 1HD ARG 121 -8.177 -2.660 -18.274 970 2HD ARG 121 2HD ARG 121 -6.840 -3.453 -19.132 971 HE ARG 121 HE ARG 121 -7.241 -5.452 -17.676 972 1HH1 ARG 121 1HH1 ARG 121 -9.758 -3.968 -19.164 973 2HH1 ARG 121 2HH1 ARG 121 -11.004 -4.554 -18.112 974 1HH2 ARG 121 1HH2 ARG 121 -8.792 -5.797 -15.749 975 2HH2 ARG 121 2HH2 ARG 121 -10.457 -5.590 -16.180 976 H SER 122 H SER 122 -1.810 -4.108 -16.305 977 HA SER 122 HA SER 122 -1.142 -1.479 -17.595 978 1HB SER 122 1HB SER 122 0.804 -3.184 -16.054 979 2HB SER 122 2HB SER 122 0.851 -1.448 -16.346 980 HG SER 122 HG SER 122 -0.016 -2.569 -14.217 981 H LYS 123 H LYS 123 0.021 -1.616 -19.520 982 HA LYS 123 HA LYS 123 0.443 -4.352 -20.627 983 1HB LYS 123 1HB LYS 123 0.364 -3.215 -22.758 984 2HB LYS 123 2HB LYS 123 -0.932 -2.544 -21.766 985 1HG LYS 123 1HG LYS 123 0.529 -0.650 -21.143 986 2HG LYS 123 2HG LYS 123 1.814 -1.314 -22.153 987 1HD LYS 123 1HD LYS 123 -0.846 -0.936 -23.438 988 2HD LYS 123 2HD LYS 123 0.078 0.521 -23.072 989 1HE LYS 123 1HE LYS 123 2.019 -0.386 -24.308 990 2HE LYS 123 2HE LYS 123 1.092 -1.853 -24.680 991 1HZ LYS 123 1HZ LYS 123 0.133 0.884 -25.312 992 2HZ LYS 123 2HZ LYS 123 0.980 -0.080 -26.426 993 3HZ LYS 123 3HZ LYS 123 -0.530 -0.587 -25.834 994 H ARG 124 H ARG 124 2.498 -4.991 -21.405 995 HA ARG 124 HA ARG 124 4.810 -3.713 -20.165 996 1HB ARG 124 1HB ARG 124 4.458 -6.173 -20.493 997 2HB ARG 124 2HB ARG 124 4.608 -5.927 -22.233 998 1HG ARG 124 1HG ARG 124 6.879 -5.123 -21.989 999 2HG ARG 124 2HG ARG 124 6.742 -5.140 -20.231 1000 1HD ARG 124 1HD ARG 124 6.479 -7.589 -20.249 1001 2HD ARG 124 2HD ARG 124 6.571 -7.592 -22.022 1002 HE ARG 124 HE ARG 124 8.813 -6.212 -20.750 1003 1HH1 ARG 124 1HH1 ARG 124 8.376 -8.131 -23.264 1004 2HH1 ARG 124 2HH1 ARG 124 9.531 -9.355 -22.858 1005 1HH2 ARG 124 1HH2 ARG 124 9.942 -8.259 -19.594 1006 2HH2 ARG 124 2HH2 ARG 124 10.417 -9.428 -20.780 1007 H VAL 125 HN VAL 125 6.250 -2.311 -21.145 1008 HA VAL 125 HA VAL 125 5.684 -1.536 -23.979 1009 HB VAL 125 HB VAL 125 7.138 -0.138 -21.708 1010 1HG1 VAL 125 1HG1 VAL 125 6.581 0.576 -24.575 1011 2HG1 VAL 125 2HG1 VAL 125 6.663 1.850 -23.358 1012 3HG1 VAL 125 3HG1 VAL 125 8.058 0.807 -23.639 1013 1HG2 VAL 125 1HG2 VAL 125 4.471 -0.558 -21.872 1014 2HG2 VAL 125 2HG2 VAL 125 5.164 0.915 -21.195 1015 3HG2 VAL 125 3HG2 VAL 125 4.600 0.894 -22.866 1016 1H1 JN3 130 1H1 JN3 130 -3.832 1.997 -7.806 1017 2H1 JN3 130 2H1 JN3 130 -3.288 3.281 -8.938 1018 1H2 JN3 130 1H2 JN3 130 -1.152 3.369 -7.833 1019 2H2 JN3 130 2H2 JN3 130 -1.526 1.704 -8.428 1020 H3 JN3 130 H3 JN3 130 -2.308 1.037 -6.080 1021 HO3 JN3 130 HO3 JN3 130 -0.207 1.461 -4.871 1022 1H4 JN3 130 1H4 JN3 130 -1.517 3.880 -5.293 1023 2H4 JN3 130 2H4 JN3 130 -2.084 2.619 -4.181 1024 H5 JN3 130 H5 JN3 130 -4.333 2.539 -5.482 1025 1H6 JN3 130 1H6 JN3 130 -4.183 4.075 -3.495 1026 2H6 JN3 130 2H6 JN3 130 -5.265 4.674 -4.742 1027 H7 JN3 130 H7 JN3 130 -3.804 6.476 -3.828 1028 HO7 JN3 130 HO7 JN3 130 -1.910 5.362 -3.303 1029 H8 JN3 130 H8 JN3 130 -4.609 6.643 -6.152 1030 H9 JN3 130 H9 JN3 130 -1.862 5.231 -6.859 1031 1H11 JN3 130 1H11 JN3 130 -4.082 6.284 -8.733 1032 2H11 JN3 130 2H11 JN3 130 -2.672 5.371 -9.274 1033 1H12 JN3 130 1H12 JN3 130 -2.239 7.788 -9.599 1034 2H12 JN3 130 2H12 JN3 130 -1.173 7.204 -8.319 1035 H14 JN3 130 H14 JN3 130 -1.664 7.667 -5.886 1036 1H15 JN3 130 1H15 JN3 130 -2.802 8.882 -4.192 1037 2H15 JN3 130 2H15 JN3 130 -4.270 9.038 -5.152 1038 1H16 JN3 130 1H16 JN3 130 -1.796 10.631 -5.290 1039 2H16 JN3 130 2H16 JN3 130 -3.385 10.946 -6.076 1040 H17 JN3 130 H17 JN3 130 -0.928 9.509 -7.244 1041 1H18 JN3 130 1H18 JN3 130 -4.781 9.539 -7.266 1042 2H18 JN3 130 2H18 JN3 130 -4.482 9.161 -8.979 1043 3H18 JN3 130 3H18 JN3 130 -4.987 7.873 -7.859 1044 1H19 JN3 130 1H19 JN3 130 -5.688 4.910 -6.708 1045 2H19 JN3 130 2H19 JN3 130 -5.333 4.483 -8.399 1046 3H19 JN3 130 3H19 JN3 130 -5.800 3.216 -7.240 1047 H20 JN3 130 H20 JN3 130 -2.903 11.465 -8.375 1048 1H21 JN3 130 1H21 JN3 130 -1.910 11.387 -10.528 1049 2H21 JN3 130 2H21 JN3 130 -0.997 9.929 -10.073 1050 3H21 JN3 130 3H21 JN3 130 -2.774 9.879 -10.145 1051 1H22 JN3 130 1H22 JN3 130 -0.001 11.682 -8.912 1052 2H22 JN3 130 2H22 JN3 130 -0.451 11.716 -7.172 1053 1H23 JN3 130 1H23 JN3 130 -2.023 13.648 -7.761 1054 2H23 JN3 130 2H23 JN3 130 -1.274 13.692 -9.337 1055 1H1 JN3 131 1H1 JN3 131 4.830 -4.590 -3.824 1056 2H1 JN3 131 2H1 JN3 131 3.145 -4.578 -3.204 1057 1H2 JN3 131 1H2 JN3 131 2.381 -3.589 -5.260 1058 2H2 JN3 131 2H2 JN3 131 3.251 -5.145 -5.553 1059 H3 JN3 131 H3 JN3 131 5.381 -3.846 -6.141 1060 HO3 JN3 131 HO3 JN3 131 4.112 -2.325 -7.905 1061 1H4 JN3 131 1H4 JN3 131 3.678 -1.355 -5.676 1062 2H4 JN3 131 2H4 JN3 131 5.354 -1.368 -6.259 1063 H5 JN3 131 H5 JN3 131 6.076 -2.504 -4.035 1064 1H6 JN3 131 1H6 JN3 131 6.167 0.005 -4.150 1065 2H6 JN3 131 2H6 JN3 131 5.811 -0.593 -2.538 1066 H7 JN3 131 H7 JN3 131 4.367 1.345 -3.156 1067 HO7 JN3 131 HO7 JN3 131 3.684 1.405 -5.175 1068 H8 JN3 131 H8 JN3 131 3.511 -0.336 -1.569 1069 H9 JN3 131 H9 JN3 131 2.264 -1.670 -4.159 1070 1H11 JN3 131 1H11 JN3 131 2.006 -2.496 -1.192 1071 2H11 JN3 131 2H11 JN3 131 1.377 -3.436 -2.547 1072 1H12 JN3 131 1H12 JN3 131 -0.459 -2.079 -1.589 1073 2H12 JN3 131 2H12 JN3 131 -0.086 -1.447 -3.194 1074 H14 JN3 131 H14 JN3 131 1.259 0.668 -3.494 1075 1H15 JN3 131 1H15 JN3 131 2.166 2.691 -2.639 1076 2H15 JN3 131 2H15 JN3 131 2.459 2.003 -1.045 1077 1H16 JN3 131 1H16 JN3 131 -0.054 3.053 -2.170 1078 2H16 JN3 131 2H16 JN3 131 0.314 2.594 -0.467 1079 H17 JN3 131 H17 JN3 131 -0.989 0.884 -2.668 1080 1H18 JN3 131 1H18 JN3 131 1.342 0.712 0.394 1081 2H18 JN3 131 2H18 JN3 131 0.455 -0.815 0.617 1082 3H18 JN3 131 3H18 JN3 131 2.112 -0.835 -0.031 1083 1H19 JN3 131 1H19 JN3 131 4.875 -1.939 -1.353 1084 2H19 JN3 131 2H19 JN3 131 3.993 -3.478 -1.207 1085 3H19 JN3 131 3H19 JN3 131 5.636 -3.455 -1.890 1086 H20 JN3 131 H20 JN3 131 -1.436 0.654 0.310 1087 1H21 JN3 131 1H21 JN3 131 -3.598 -0.186 -0.191 1088 2H21 JN3 131 2H21 JN3 131 -3.229 -0.147 -1.932 1089 3H21 JN3 131 3H21 JN3 131 -2.316 -1.228 -0.853 1090 1H22 JN3 131 1H22 JN3 131 -3.624 1.995 -0.899 1091 2H22 JN3 131 2H22 JN3 131 -2.131 2.818 -1.471 1092 1H23 JN3 131 1H23 JN3 131 -1.614 3.604 0.677 1093 2H23 JN3 131 2H23 JN3 131 -2.513 2.346 1.488 Start of MODEL 16 1 1H ALA 1 1H ALA 1 6.475 -11.636 -17.901 2 2H ALA 1 2H ALA 1 6.530 -12.092 -16.265 3 3H ALA 1 3H ALA 1 7.466 -12.924 -17.414 4 HA ALA 1 HA ALA 1 8.938 -11.475 -16.244 5 1HB ALA 1 1HB ALA 1 9.020 -11.784 -18.757 6 2HB ALA 1 2HB ALA 1 8.152 -10.256 -18.907 7 3HB ALA 1 3HB ALA 1 9.762 -10.287 -18.188 8 H PHE 2 H PHE 2 8.279 -10.179 -14.510 9 HA PHE 2 HA PHE 2 6.350 -8.010 -14.823 10 1HB PHE 2 1HB PHE 2 8.245 -8.922 -12.641 11 2HB PHE 2 2HB PHE 2 7.111 -7.589 -12.430 12 HD1 PHE 2 HD1 PHE 2 7.419 -11.229 -13.031 13 HD2 PHE 2 HD2 PHE 2 4.737 -7.973 -12.214 14 HE1 PHE 2 HE1 PHE 2 5.606 -12.846 -12.532 15 HE2 PHE 2 HE2 PHE 2 2.925 -9.590 -11.716 16 HZ PHE 2 HZ PHE 2 3.360 -12.027 -11.875 17 H SER 3 H SER 3 9.870 -8.311 -14.798 18 HA SER 3 HA SER 3 10.617 -5.611 -14.386 19 1HB SER 3 1HB SER 3 11.790 -7.810 -16.114 20 2HB SER 3 2HB SER 3 12.643 -6.327 -15.699 21 HG SER 3 HG SER 3 12.190 -8.567 -14.216 22 H GLY 4 H GLY 4 10.894 -3.859 -15.839 23 1HA GLY 4 1HA GLY 4 10.994 -3.115 -18.237 24 2HA GLY 4 2HA GLY 4 9.656 -4.225 -18.539 25 H THR 5 H THR 5 9.431 -1.508 -19.188 26 HA THR 5 HA THR 5 8.046 -0.075 -17.039 27 HB THR 5 HB THR 5 8.173 0.464 -20.022 28 HG1 THR 5 HG1 THR 5 10.206 0.760 -19.679 29 1HG2 THR 5 1HG2 THR 5 8.140 2.573 -17.907 30 2HG2 THR 5 2HG2 THR 5 7.473 2.610 -19.540 31 3HG2 THR 5 3HG2 THR 5 6.629 1.735 -18.263 32 H TRP 6 H TRP 6 5.771 0.373 -17.009 33 HA TRP 6 HA TRP 6 4.079 -1.247 -18.875 34 1HB TRP 6 1HB TRP 6 3.934 -1.075 -15.847 35 2HB TRP 6 2HB TRP 6 2.743 -1.892 -16.858 36 HD1 TRP 6 HD1 TRP 6 6.107 -2.339 -15.283 37 HE1 TRP 6 HE1 TRP 6 7.055 -4.659 -15.886 38 HE3 TRP 6 HE3 TRP 6 2.777 -3.741 -18.890 39 HZ2 TRP 6 HZ2 TRP 6 6.477 -6.824 -17.665 40 HZ3 TRP 6 HZ3 TRP 6 2.998 -5.935 -20.021 41 HH2 TRP 6 HH2 TRP 6 4.843 -7.477 -19.415 42 H GLN 7 H GLN 7 2.408 -0.031 -19.686 43 HA GLN 7 HA GLN 7 1.957 2.682 -18.557 44 1HB GLN 7 1HB GLN 7 2.400 2.092 -21.020 45 2HB GLN 7 2HB GLN 7 0.768 1.423 -21.038 46 1HG GLN 7 1HG GLN 7 -0.234 3.510 -20.683 47 2HG GLN 7 2HG GLN 7 1.237 4.208 -20.006 48 1HE2 GLN 7 2HE2 GLN 7 -0.132 5.517 -22.140 49 2HE2 GLN 7 1HE2 GLN 7 0.835 5.440 -23.533 50 H VAL 8 H VAL 8 -0.073 3.327 -17.754 51 HA VAL 8 HA VAL 8 -1.780 1.323 -16.596 52 HB VAL 8 HB VAL 8 -1.913 4.304 -17.065 53 1HG1 VAL 8 1HG1 VAL 8 -4.066 2.446 -16.235 54 2HG1 VAL 8 2HG1 VAL 8 -3.847 3.857 -15.201 55 3HG1 VAL 8 3HG1 VAL 8 -4.180 4.067 -16.920 56 1HG2 VAL 8 1HG2 VAL 8 -0.393 3.100 -15.332 57 2HG2 VAL 8 2HG2 VAL 8 -1.372 4.456 -14.771 58 3HG2 VAL 8 3HG2 VAL 8 -1.889 2.800 -14.449 59 H TYR 9 H TYR 9 -3.246 0.097 -17.707 60 HA TYR 9 HA TYR 9 -4.122 0.831 -20.405 61 1HB TYR 9 1HB TYR 9 -4.125 -1.463 -18.576 62 2HB TYR 9 2HB TYR 9 -5.607 -1.345 -19.526 63 HD1 TYR 9 HD1 TYR 9 -5.188 -0.690 -22.099 64 HD2 TYR 9 HD2 TYR 9 -2.331 -2.607 -19.524 65 HE1 TYR 9 HE1 TYR 9 -3.988 -1.568 -24.083 66 HE2 TYR 9 HE2 TYR 9 -1.133 -3.485 -21.510 67 HH TYR 9 HH TYR 9 -1.841 -4.031 -23.990 68 H ALA 10 H ALA 10 -6.070 -0.159 -17.568 69 HA ALA 10 HA ALA 10 -7.836 2.199 -17.941 70 1HB ALA 10 1HB ALA 10 -8.342 -0.078 -19.325 71 2HB ALA 10 2HB ALA 10 -9.192 -0.445 -17.824 72 3HB ALA 10 3HB ALA 10 -9.618 0.995 -18.751 73 H GLN 11 H GLN 11 -9.582 2.168 -16.173 74 HA GLN 11 HA GLN 11 -8.828 0.571 -13.775 75 1HB GLN 11 1HB GLN 11 -8.928 3.599 -13.970 76 2HB GLN 11 2HB GLN 11 -8.747 2.703 -12.461 77 1HG GLN 11 1HG GLN 11 -6.700 1.606 -13.462 78 2HG GLN 11 2HG GLN 11 -6.835 2.736 -14.809 79 1HE2 GLN 11 2HE2 GLN 11 -6.216 2.531 -11.306 80 2HE2 GLN 11 1HE2 GLN 11 -5.535 4.079 -11.167 81 H GLU 12 H GLU 12 -10.801 -0.381 -13.357 82 HA GLU 12 HA GLU 12 -13.317 1.083 -13.855 83 1HB GLU 12 1HB GLU 12 -12.514 -1.700 -12.995 84 2HB GLU 12 2HB GLU 12 -14.202 -1.190 -12.994 85 1HG GLU 12 1HG GLU 12 -12.494 -0.777 -15.438 86 2HG GLU 12 2HG GLU 12 -13.250 -2.342 -15.134 87 H ASN 13 H ASN 13 -14.889 1.444 -12.145 88 HA ASN 13 HA ASN 13 -15.449 2.289 -10.003 89 1HB ASN 13 1HB ASN 13 -13.737 -0.092 -9.221 90 2HB ASN 13 2HB ASN 13 -15.048 0.616 -8.277 91 1HD2 ASN 13 2HD2 ASN 13 -14.493 -2.057 -10.036 92 2HD2 ASN 13 1HD2 ASN 13 -16.014 -2.291 -10.753 93 H TYR 14 H TYR 14 -12.706 3.029 -11.262 94 HA TYR 14 HA TYR 14 -10.630 3.301 -9.437 95 1HB TYR 14 1HB TYR 14 -10.667 4.070 -11.796 96 2HB TYR 14 2HB TYR 14 -11.736 5.396 -11.338 97 HD1 TYR 14 HD1 TYR 14 -10.852 6.822 -9.244 98 HD2 TYR 14 HD2 TYR 14 -8.382 4.509 -11.888 99 HE1 TYR 14 HE1 TYR 14 -8.885 8.188 -8.601 100 HE2 TYR 14 HE2 TYR 14 -6.414 5.874 -11.245 101 HH TYR 14 HH TYR 14 -6.175 8.411 -10.282 102 H GLU 15 H GLU 15 -13.140 5.828 -9.894 103 HA GLU 15 HA GLU 15 -12.528 7.431 -7.678 104 1HB GLU 15 1HB GLU 15 -15.163 6.692 -8.985 105 2HB GLU 15 2HB GLU 15 -14.991 8.019 -7.836 106 1HG GLU 15 1HG GLU 15 -13.312 9.079 -9.294 107 2HG GLU 15 2HG GLU 15 -13.464 7.748 -10.442 108 H GLU 16 H GLU 16 -15.047 4.870 -7.737 109 HA GLU 16 HA GLU 16 -15.857 4.810 -5.107 110 1HB GLU 16 1HB GLU 16 -15.263 2.691 -7.155 111 2HB GLU 16 2HB GLU 16 -15.815 2.209 -5.551 112 1HG GLU 16 1HG GLU 16 -17.861 2.457 -6.600 113 2HG GLU 16 2HG GLU 16 -17.636 4.101 -6.002 114 H PHE 17 H PHE 17 -12.938 3.140 -6.354 115 HA PHE 17 HA PHE 17 -11.980 1.994 -3.989 116 1HB PHE 17 1HB PHE 17 -11.107 1.954 -6.415 117 2HB PHE 17 2HB PHE 17 -10.244 3.436 -6.001 118 HD1 PHE 17 HD1 PHE 17 -10.953 0.311 -4.051 119 HD2 PHE 17 HD2 PHE 17 -7.980 2.933 -5.709 120 HE1 PHE 17 HE1 PHE 17 -9.168 -1.028 -2.969 121 HE2 PHE 17 HE2 PHE 17 -6.196 1.593 -4.626 122 HZ PHE 17 HZ PHE 17 -6.790 -0.387 -3.256 123 H LEU 18 H LEU 18 -10.858 5.165 -5.241 124 HA LEU 18 HA LEU 18 -9.413 6.080 -3.060 125 1HB LEU 18 1HB LEU 18 -11.136 7.302 -5.169 126 2HB LEU 18 2HB LEU 18 -10.608 8.356 -3.857 127 HG LEU 18 HG LEU 18 -8.851 6.729 -5.711 128 1HD1 LEU 18 1HD1 LEU 18 -9.769 9.497 -5.596 129 2HD1 LEU 18 2HD1 LEU 18 -8.009 9.386 -5.590 130 3HD1 LEU 18 3HD1 LEU 18 -8.935 8.649 -6.898 131 1HD2 LEU 18 1HD2 LEU 18 -8.049 6.685 -3.340 132 2HD2 LEU 18 2HD2 LEU 18 -6.957 7.560 -4.413 133 3HD2 LEU 18 3HD2 LEU 18 -8.043 8.448 -3.344 134 H LYS 19 H LYS 19 -12.955 6.407 -3.498 135 HA LYS 19 HA LYS 19 -13.633 7.819 -1.184 136 1HB LYS 19 1HB LYS 19 -14.955 5.501 -2.620 137 2HB LYS 19 2HB LYS 19 -15.769 6.433 -1.362 138 1HG LYS 19 1HG LYS 19 -15.308 8.514 -2.688 139 2HG LYS 19 2HG LYS 19 -14.669 7.496 -3.980 140 1HD LYS 19 1HD LYS 19 -16.839 6.330 -4.139 141 2HD LYS 19 2HD LYS 19 -17.482 7.351 -2.852 142 1HE LYS 19 1HE LYS 19 -17.333 9.322 -4.206 143 2HE LYS 19 2HE LYS 19 -16.342 8.491 -5.422 144 1HZ LYS 19 1HZ LYS 19 -18.196 6.927 -5.750 145 2HZ LYS 19 2HZ LYS 19 -19.150 7.847 -4.687 146 3HZ LYS 19 3HZ LYS 19 -18.621 8.517 -6.157 147 H ALA 20 H ALA 20 -12.922 4.341 -1.494 148 HA ALA 20 HA ALA 20 -13.537 3.713 1.275 149 1HB ALA 20 1HB ALA 20 -11.905 2.313 -0.869 150 2HB ALA 20 2HB ALA 20 -12.434 1.566 0.639 151 3HB ALA 20 3HB ALA 20 -13.625 2.079 -0.556 152 H LEU 21 H LEU 21 -10.562 4.480 -0.526 153 HA LEU 21 HA LEU 21 -8.658 3.903 1.501 154 1HB LEU 21 1HB LEU 21 -8.755 4.972 -1.077 155 2HB LEU 21 2HB LEU 21 -8.081 6.278 -0.101 156 HG LEU 21 HG LEU 21 -6.473 4.576 0.876 157 1HD1 LEU 21 1HD1 LEU 21 -8.065 2.688 -0.090 158 2HD1 LEU 21 2HD1 LEU 21 -7.053 2.878 -1.523 159 3HD1 LEU 21 3HD1 LEU 21 -6.324 2.425 0.018 160 1HD2 LEU 21 1HD2 LEU 21 -6.463 5.237 -2.079 161 2HD2 LEU 21 2HD2 LEU 21 -5.626 6.087 -0.780 162 3HD2 LEU 21 3HD2 LEU 21 -5.089 4.481 -1.272 163 H ALA 22 H ALA 22 -10.907 6.565 1.162 164 HA ALA 22 HA ALA 22 -11.512 8.143 2.856 165 1HB ALA 22 1HB ALA 22 -10.266 6.210 4.232 166 2HB ALA 22 2HB ALA 22 -9.043 7.469 4.401 167 3HB ALA 22 3HB ALA 22 -10.684 7.750 4.983 168 H LEU 23 H LEU 23 -9.411 8.390 0.596 169 HA LEU 23 HA LEU 23 -7.430 10.302 1.492 170 1HB LEU 23 1HB LEU 23 -8.454 9.101 -1.018 171 2HB LEU 23 2HB LEU 23 -7.700 10.687 -1.197 172 HG LEU 23 HG LEU 23 -6.402 8.403 0.309 173 1HD1 LEU 23 1HD1 LEU 23 -6.246 9.210 -2.599 174 2HD1 LEU 23 2HD1 LEU 23 -4.935 8.336 -1.808 175 3HD1 LEU 23 3HD1 LEU 23 -6.536 7.607 -1.924 176 1HD2 LEU 23 1HD2 LEU 23 -5.669 10.742 0.815 177 2HD2 LEU 23 2HD2 LEU 23 -4.392 9.773 0.079 178 3HD2 LEU 23 3HD2 LEU 23 -5.274 10.953 -0.891 179 HA PRO 24 HA PRO 24 -9.665 14.072 1.311 180 1HB PRO 24 1HB PRO 24 -7.990 15.747 -0.059 181 2HB PRO 24 2HB PRO 24 -7.665 15.199 1.598 182 1HG PRO 24 1HG PRO 24 -6.521 14.236 -0.974 183 2HG PRO 24 2HG PRO 24 -5.742 14.443 0.602 184 1HD PRO 24 1HD PRO 24 -6.554 12.026 -0.385 185 2HD PRO 24 2HD PRO 24 -6.411 12.390 1.349 186 H GLU 25 H GLU 25 -11.282 14.949 0.019 187 HA GLU 25 HA GLU 25 -11.902 13.867 -2.536 188 1HB GLU 25 1HB GLU 25 -13.475 14.949 -0.951 189 2HB GLU 25 2HB GLU 25 -12.705 16.505 -1.265 190 1HG GLU 25 1HG GLU 25 -13.298 16.287 -3.670 191 2HG GLU 25 2HG GLU 25 -14.131 14.775 -3.308 192 H ASP 26 H ASP 26 -10.261 16.906 -1.640 193 HA ASP 26 HA ASP 26 -10.068 18.136 -4.164 194 1HB ASP 26 1HB ASP 26 -8.208 17.972 -1.779 195 2HB ASP 26 2HB ASP 26 -7.906 19.055 -3.138 196 H LEU 27 H LEU 27 -8.184 15.451 -2.825 197 HA LEU 27 HA LEU 27 -6.319 15.416 -5.103 198 1HB LEU 27 1HB LEU 27 -5.579 14.855 -2.844 199 2HB LEU 27 2HB LEU 27 -6.805 13.593 -2.727 200 HG LEU 27 HG LEU 27 -5.732 12.466 -4.706 201 1HD1 LEU 27 1HD1 LEU 27 -4.304 14.940 -4.771 202 2HD1 LEU 27 2HD1 LEU 27 -3.142 13.652 -4.452 203 3HD1 LEU 27 3HD1 LEU 27 -4.170 13.577 -5.883 204 1HD2 LEU 27 1HD2 LEU 27 -4.520 12.835 -2.022 205 2HD2 LEU 27 2HD2 LEU 27 -5.019 11.352 -2.838 206 3HD2 LEU 27 3HD2 LEU 27 -3.473 12.101 -3.237 207 H ILE 28 H ILE 28 -9.145 13.593 -3.966 208 HA ILE 28 HA ILE 28 -8.999 11.419 -5.820 209 HB ILE 28 HB ILE 28 -11.317 12.813 -4.444 210 1HG1 ILE 28 1HG1 ILE 28 -9.829 10.267 -3.731 211 2HG1 ILE 28 2HG1 ILE 28 -9.501 11.837 -2.998 212 1HG2 ILE 28 1HG2 ILE 28 -11.197 10.546 -6.317 213 2HG2 ILE 28 2HG2 ILE 28 -12.038 10.182 -4.810 214 3HG2 ILE 28 3HG2 ILE 28 -12.580 11.522 -5.821 215 1HD1 ILE 28 1HD1 ILE 28 -12.335 10.906 -3.028 216 2HD1 ILE 28 2HD1 ILE 28 -11.231 10.113 -1.905 217 3HD1 ILE 28 3HD1 ILE 28 -11.477 11.856 -1.815 218 H LYS 29 H LYS 29 -10.909 14.455 -5.985 219 HA LYS 29 HA LYS 29 -11.993 14.051 -8.582 220 1HB LYS 29 1HB LYS 29 -11.190 16.613 -7.161 221 2HB LYS 29 2HB LYS 29 -12.367 16.487 -8.469 222 1HG LYS 29 1HG LYS 29 -13.379 14.637 -6.777 223 2HG LYS 29 2HG LYS 29 -12.628 15.725 -5.610 224 1HD LYS 29 1HD LYS 29 -14.516 16.628 -7.802 225 2HD LYS 29 2HD LYS 29 -15.005 16.329 -6.134 226 1HE LYS 29 1HE LYS 29 -13.787 18.163 -5.309 227 2HE LYS 29 2HE LYS 29 -12.721 18.209 -6.727 228 1HZ LYS 29 1HZ LYS 29 -14.649 18.770 -8.096 229 2HZ LYS 29 2HZ LYS 29 -15.636 18.795 -6.716 230 3HZ LYS 29 3HZ LYS 29 -14.392 19.939 -6.890 231 H MET 30 H MET 30 -8.831 15.218 -7.546 232 HA MET 30 HA MET 30 -8.085 16.123 -10.249 233 1HB MET 30 1HB MET 30 -6.696 15.878 -7.567 234 2HB MET 30 2HB MET 30 -5.875 16.471 -9.012 235 1HG MET 30 1HG MET 30 -7.574 18.250 -9.246 236 2HG MET 30 2HG MET 30 -8.381 17.666 -7.792 237 1HE MET 30 1HE MET 30 -5.157 18.288 -9.328 238 2HE MET 30 2HE MET 30 -5.119 20.005 -8.933 239 3HE MET 30 3HE MET 30 -4.054 18.889 -8.083 240 H ALA 31 H ALA 31 -8.091 13.172 -8.507 241 HA ALA 31 HA ALA 31 -5.962 12.026 -10.277 242 1HB ALA 31 1HB ALA 31 -6.853 11.672 -7.480 243 2HB ALA 31 2HB ALA 31 -6.472 10.172 -8.325 244 3HB ALA 31 3HB ALA 31 -5.254 11.438 -8.185 245 H ARG 32 H ARG 32 -9.295 12.247 -9.967 246 HA ARG 32 HA ARG 32 -10.189 9.577 -10.482 247 1HB ARG 32 1HB ARG 32 -12.254 10.686 -11.058 248 2HB ARG 32 2HB ARG 32 -11.502 11.638 -9.776 249 1HG ARG 32 1HG ARG 32 -11.671 13.419 -11.149 250 2HG ARG 32 2HG ARG 32 -10.408 12.673 -12.129 251 1HD ARG 32 1HD ARG 32 -11.940 11.781 -13.663 252 2HD ARG 32 2HD ARG 32 -13.281 11.836 -12.501 253 HE ARG 32 HE ARG 32 -12.567 14.485 -12.730 254 1HH1 ARG 32 1HH1 ARG 32 -11.638 13.382 -15.497 255 2HH1 ARG 32 2HH1 ARG 32 -13.003 13.826 -16.465 256 1HH2 ARG 32 1HH2 ARG 32 -15.062 14.461 -13.748 257 2HH2 ARG 32 2HH2 ARG 32 -14.941 14.437 -15.476 258 H ASP 33 H ASP 33 -8.281 11.604 -12.398 259 HA ASP 33 HA ASP 33 -8.791 9.902 -14.785 260 1HB ASP 33 1HB ASP 33 -10.183 12.095 -14.686 261 2HB ASP 33 2HB ASP 33 -8.649 12.909 -14.999 262 H ILE 34 H ILE 34 -6.556 9.566 -13.290 263 HA ILE 34 HA ILE 34 -4.428 10.973 -14.869 264 HB ILE 34 HB ILE 34 -4.701 10.411 -11.912 265 1HG1 ILE 34 1HG1 ILE 34 -4.034 12.875 -13.558 266 2HG1 ILE 34 2HG1 ILE 34 -5.556 12.557 -12.723 267 1HG2 ILE 34 1HG2 ILE 34 -2.275 10.418 -13.568 268 2HG2 ILE 34 2HG2 ILE 34 -2.217 11.578 -12.240 269 3HG2 ILE 34 3HG2 ILE 34 -2.500 9.869 -11.908 270 1HD1 ILE 34 1HD1 ILE 34 -3.987 12.286 -10.616 271 2HD1 ILE 34 2HD1 ILE 34 -2.879 13.267 -11.575 272 3HD1 ILE 34 3HD1 ILE 34 -4.474 13.893 -11.157 273 H LYS 35 H LYS 35 -3.503 9.391 -16.122 274 HA LYS 35 HA LYS 35 -3.376 6.598 -15.097 275 1HB LYS 35 1HB LYS 35 -2.822 7.861 -17.804 276 2HB LYS 35 2HB LYS 35 -2.820 6.127 -17.478 277 1HG LYS 35 1HG LYS 35 -5.087 6.009 -17.460 278 2HG LYS 35 2HG LYS 35 -5.245 7.507 -16.543 279 1HD LYS 35 1HD LYS 35 -4.515 7.431 -19.481 280 2HD LYS 35 2HD LYS 35 -6.171 7.608 -18.899 281 1HE LYS 35 1HE LYS 35 -5.431 9.629 -17.587 282 2HE LYS 35 2HE LYS 35 -3.851 9.499 -18.386 283 1HZ LYS 35 1HZ LYS 35 -5.009 9.515 -20.533 284 2HZ LYS 35 2HZ LYS 35 -6.489 9.755 -19.733 285 3HZ LYS 35 3HZ LYS 35 -5.279 10.947 -19.663 286 HA PRO 36 HA PRO 36 0.896 8.093 -14.293 287 1HB PRO 36 1HB PRO 36 1.225 6.640 -11.996 288 2HB PRO 36 2HB PRO 36 0.464 8.244 -12.025 289 1HG PRO 36 1HG PRO 36 -0.797 5.554 -11.881 290 2HG PRO 36 2HG PRO 36 -1.259 7.063 -11.079 291 1HD PRO 36 1HD PRO 36 -2.518 6.071 -13.294 292 2HD PRO 36 2HD PRO 36 -2.468 7.797 -12.874 293 H ILE 37 H ILE 37 2.836 6.899 -14.673 294 HA ILE 37 HA ILE 37 2.435 4.213 -15.841 295 HB ILE 37 HB ILE 37 4.844 6.048 -15.621 296 1HG1 ILE 37 1HG1 ILE 37 3.314 5.574 -18.150 297 2HG1 ILE 37 2HG1 ILE 37 2.618 6.667 -16.953 298 1HG2 ILE 37 1HG2 ILE 37 5.328 3.603 -16.015 299 2HG2 ILE 37 2HG2 ILE 37 4.367 3.710 -17.489 300 3HG2 ILE 37 3HG2 ILE 37 5.845 4.659 -17.329 301 1HD1 ILE 37 1HD1 ILE 37 5.507 6.976 -17.701 302 2HD1 ILE 37 2HD1 ILE 37 4.268 7.603 -18.787 303 3HD1 ILE 37 3HD1 ILE 37 4.366 8.194 -17.128 304 H VAL 38 H VAL 38 4.355 2.624 -15.324 305 HA VAL 38 HA VAL 38 5.307 2.787 -12.523 306 HB VAL 38 HB VAL 38 3.366 0.728 -13.611 307 1HG1 VAL 38 1HG1 VAL 38 5.237 -0.304 -12.286 308 2HG1 VAL 38 2HG1 VAL 38 4.778 0.721 -10.927 309 3HG1 VAL 38 3HG1 VAL 38 3.654 -0.495 -11.534 310 1HG2 VAL 38 1HG2 VAL 38 2.544 2.954 -12.663 311 2HG2 VAL 38 2HG2 VAL 38 1.904 1.509 -11.881 312 3HG2 VAL 38 3HG2 VAL 38 3.197 2.428 -11.111 313 H GLU 39 H GLU 39 7.427 2.177 -12.684 314 HA GLU 39 HA GLU 39 8.235 0.309 -14.865 315 1HB GLU 39 1HB GLU 39 9.211 2.691 -14.236 316 2HB GLU 39 2HB GLU 39 10.115 1.768 -13.035 317 1HG GLU 39 1HG GLU 39 11.079 0.357 -14.749 318 2HG GLU 39 2HG GLU 39 10.050 1.080 -15.986 319 H ILE 40 H ILE 40 9.535 -1.551 -14.352 320 HA ILE 40 HA ILE 40 9.730 -2.280 -11.459 321 HB ILE 40 HB ILE 40 8.613 -3.997 -13.702 322 1HG1 ILE 40 1HG1 ILE 40 7.240 -2.655 -11.349 323 2HG1 ILE 40 2HG1 ILE 40 7.086 -2.169 -13.037 324 1HG2 ILE 40 1HG2 ILE 40 9.061 -4.457 -10.746 325 2HG2 ILE 40 2HG2 ILE 40 7.941 -5.435 -11.695 326 3HG2 ILE 40 3HG2 ILE 40 9.658 -5.422 -12.096 327 1HD1 ILE 40 1HD1 ILE 40 6.553 -5.029 -12.509 328 2HD1 ILE 40 2HD1 ILE 40 5.389 -3.910 -11.801 329 3HD1 ILE 40 3HD1 ILE 40 5.683 -3.892 -13.540 330 H GLN 41 H GLN 41 11.739 -3.112 -11.015 331 HA GLN 41 HA GLN 41 13.322 -4.274 -13.285 332 1HB GLN 41 1HB GLN 41 14.019 -1.972 -12.759 333 2HB GLN 41 2HB GLN 41 14.211 -2.407 -11.061 334 1HG GLN 41 1HG GLN 41 16.005 -3.938 -11.583 335 2HG GLN 41 2HG GLN 41 15.726 -3.749 -13.315 336 1HE2 GLN 41 2HE2 GLN 41 18.286 -3.169 -12.448 337 2HE2 GLN 41 1HE2 GLN 41 18.550 -1.492 -12.445 338 H GLN 42 H GLN 42 12.312 -6.285 -12.163 339 HA GLN 42 HA GLN 42 13.135 -7.063 -9.521 340 1HB GLN 42 1HB GLN 42 11.244 -8.002 -10.848 341 2HB GLN 42 2HB GLN 42 12.411 -8.733 -11.952 342 1HG GLN 42 1HG GLN 42 13.379 -10.015 -10.067 343 2HG GLN 42 2HG GLN 42 12.181 -9.307 -8.982 344 1HE2 GLN 42 2HE2 GLN 42 12.395 -12.170 -9.552 345 2HE2 GLN 42 1HE2 GLN 42 10.953 -12.636 -10.314 346 H LYS 43 H LYS 43 14.560 -9.133 -9.261 347 HA LYS 43 HA LYS 43 16.679 -9.612 -11.187 348 1HB LYS 43 1HB LYS 43 16.950 -7.567 -9.030 349 2HB LYS 43 2HB LYS 43 18.349 -8.599 -9.335 350 1HG LYS 43 1HG LYS 43 17.864 -8.016 -11.857 351 2HG LYS 43 2HG LYS 43 17.014 -6.631 -11.168 352 1HD LYS 43 1HD LYS 43 19.884 -7.378 -10.534 353 2HD LYS 43 2HD LYS 43 19.402 -6.124 -11.676 354 1HE LYS 43 1HE LYS 43 18.780 -4.662 -10.011 355 2HE LYS 43 2HE LYS 43 18.204 -5.964 -8.949 356 1HZ LYS 43 1HZ LYS 43 21.065 -5.584 -9.633 357 2HZ LYS 43 2HZ LYS 43 20.353 -4.893 -8.253 358 3HZ LYS 43 3HZ LYS 43 20.410 -6.583 -8.428 359 H GLY 44 H GLY 44 14.843 -11.148 -9.469 360 1HA GLY 44 1HA GLY 44 15.744 -13.430 -8.749 361 2HA GLY 44 2HA GLY 44 16.820 -12.517 -7.690 362 H ASP 45 H ASP 45 16.035 -11.794 -5.721 363 HA ASP 45 HA ASP 45 13.202 -12.544 -5.086 364 1HB ASP 45 1HB ASP 45 14.058 -12.812 -2.799 365 2HB ASP 45 2HB ASP 45 15.056 -13.738 -3.920 366 H ASP 46 H ASP 46 15.081 -9.880 -5.772 367 HA ASP 46 HA ASP 46 13.646 -8.108 -3.834 368 1HB ASP 46 1HB ASP 46 16.175 -8.159 -4.006 369 2HB ASP 46 2HB ASP 46 16.010 -7.515 -5.639 370 H PHE 47 H PHE 47 12.416 -6.353 -4.642 371 HA PHE 47 HA PHE 47 12.011 -6.290 -7.616 372 1HB PHE 47 1HB PHE 47 10.159 -6.606 -5.308 373 2HB PHE 47 2HB PHE 47 9.600 -5.559 -6.614 374 HD1 PHE 47 HD1 PHE 47 11.408 -8.836 -6.252 375 HD2 PHE 47 HD2 PHE 47 8.371 -6.588 -8.295 376 HE1 PHE 47 HE1 PHE 47 10.848 -10.831 -7.614 377 HE2 PHE 47 HE2 PHE 47 7.811 -8.583 -9.657 378 HZ PHE 47 HZ PHE 47 9.049 -10.705 -9.316 379 H VAL 48 H VAL 48 11.944 -4.224 -8.507 380 HA VAL 48 HA VAL 48 12.130 -1.919 -6.591 381 HB VAL 48 HB VAL 48 13.418 -2.364 -9.305 382 1HG1 VAL 48 1HG1 VAL 48 13.692 -0.096 -7.309 383 2HG1 VAL 48 2HG1 VAL 48 14.653 -0.280 -8.775 384 3HG1 VAL 48 3HG1 VAL 48 12.917 0.007 -8.889 385 1HG2 VAL 48 1HG2 VAL 48 14.489 -2.426 -6.469 386 2HG2 VAL 48 2HG2 VAL 48 14.484 -3.747 -7.638 387 3HG2 VAL 48 3HG2 VAL 48 15.523 -2.345 -7.896 388 H VAL 49 H VAL 49 10.004 -1.140 -6.701 389 HA VAL 49 HA VAL 49 8.796 -0.740 -9.405 390 HB VAL 49 HB VAL 49 7.660 -0.637 -6.591 391 1HG1 VAL 49 1HG1 VAL 49 6.637 0.548 -8.865 392 2HG1 VAL 49 2HG1 VAL 49 5.843 -1.027 -8.867 393 3HG1 VAL 49 3HG1 VAL 49 5.683 0.039 -7.471 394 1HG2 VAL 49 1HG2 VAL 49 8.494 -2.859 -7.872 395 2HG2 VAL 49 2HG2 VAL 49 7.067 -2.846 -6.835 396 3HG2 VAL 49 3HG2 VAL 49 6.887 -2.713 -8.584 397 H THR 50 H THR 50 8.658 1.323 -10.214 398 HA THR 50 HA THR 50 8.940 3.619 -8.309 399 HB THR 50 HB THR 50 10.274 3.231 -11.008 400 HG1 THR 50 HG1 THR 50 12.032 2.734 -9.891 401 1HG2 THR 50 1HG2 THR 50 10.672 5.425 -8.960 402 2HG2 THR 50 2HG2 THR 50 11.394 5.325 -10.566 403 3HG2 THR 50 3HG2 THR 50 9.659 5.593 -10.395 404 H SER 51 H SER 51 6.855 4.454 -8.454 405 HA SER 51 HA SER 51 5.432 4.534 -11.033 406 1HB SER 51 1HB SER 51 4.778 5.592 -8.265 407 2HB SER 51 2HB SER 51 3.641 5.478 -9.605 408 HG SER 51 HG SER 51 4.283 3.163 -9.607 409 H LYS 52 H LYS 52 5.393 6.311 -12.370 410 HA LYS 52 HA LYS 52 6.459 8.900 -11.288 411 1HB LYS 52 1HB LYS 52 6.827 7.545 -13.978 412 2HB LYS 52 2HB LYS 52 7.374 9.183 -13.619 413 1HG LYS 52 1HG LYS 52 8.764 8.298 -11.766 414 2HG LYS 52 2HG LYS 52 8.250 6.662 -12.179 415 1HD LYS 52 1HD LYS 52 9.221 6.922 -14.434 416 2HD LYS 52 2HD LYS 52 9.741 8.556 -14.019 417 1HE LYS 52 1HE LYS 52 11.464 7.812 -12.675 418 2HE LYS 52 2HE LYS 52 10.578 6.358 -12.173 419 1HZ LYS 52 1HZ LYS 52 11.525 6.807 -14.949 420 2HZ LYS 52 2HZ LYS 52 12.433 5.957 -13.794 421 3HZ LYS 52 3HZ LYS 52 10.915 5.368 -14.280 422 H THR 53 H THR 53 4.914 10.479 -11.376 423 HA THR 53 HA THR 53 2.671 10.170 -13.338 424 HB THR 53 HB THR 53 2.186 12.155 -11.340 425 HG1 THR 53 HG1 THR 53 2.450 10.722 -9.513 426 1HG2 THR 53 1HG2 THR 53 0.812 9.840 -10.624 427 2HG2 THR 53 2HG2 THR 53 0.237 11.091 -11.728 428 3HG2 THR 53 3HG2 THR 53 1.063 9.668 -12.361 429 HA PRO 54 HA PRO 54 3.807 13.889 -15.369 430 1HB PRO 54 1HB PRO 54 1.402 15.136 -15.753 431 2HB PRO 54 2HB PRO 54 1.891 13.683 -16.648 432 1HG PRO 54 1HG PRO 54 0.062 13.945 -14.316 433 2HG PRO 54 2HG PRO 54 -0.052 12.885 -15.728 434 1HD PRO 54 1HD PRO 54 0.811 12.054 -13.271 435 2HD PRO 54 2HD PRO 54 1.292 11.287 -14.800 436 H ARG 55 H ARG 55 2.497 13.966 -12.251 437 HA ARG 55 HA ARG 55 3.090 16.899 -11.993 438 1HB ARG 55 1HB ARG 55 0.697 16.255 -11.761 439 2HB ARG 55 2HB ARG 55 1.137 15.158 -10.450 440 1HG ARG 55 1HG ARG 55 2.201 17.212 -9.322 441 2HG ARG 55 2HG ARG 55 1.302 18.173 -10.497 442 1HD ARG 55 1HD ARG 55 -0.053 16.086 -8.766 443 2HD ARG 55 2HD ARG 55 0.110 17.780 -8.263 444 HE ARG 55 HE ARG 55 -1.065 18.381 -10.420 445 1HH1 ARG 55 1HH1 ARG 55 -2.712 16.660 -8.379 446 2HH1 ARG 55 2HH1 ARG 55 -3.564 15.637 -9.487 447 1HH2 ARG 55 1HH2 ARG 55 -1.539 16.432 -12.189 448 2HH2 ARG 55 2HH2 ARG 55 -2.899 15.508 -11.644 449 H GLN 56 H GLN 56 3.749 13.681 -10.891 450 HA GLN 56 HA GLN 56 5.920 14.636 -9.172 451 1HB GLN 56 1HB GLN 56 4.948 13.730 -7.100 452 2HB GLN 56 2HB GLN 56 3.872 14.947 -7.789 453 1HG GLN 56 1HG GLN 56 2.563 13.124 -8.877 454 2HG GLN 56 2HG GLN 56 3.594 11.941 -8.070 455 1HE2 GLN 56 2HE2 GLN 56 1.594 14.825 -7.203 456 2HE2 GLN 56 1HE2 GLN 56 1.022 14.169 -5.747 457 H THR 57 H THR 57 7.231 12.810 -8.390 458 HA THR 57 HA THR 57 6.571 10.182 -9.669 459 HB THR 57 HB THR 57 9.109 10.142 -10.148 460 HG1 THR 57 HG1 THR 57 8.750 12.931 -9.828 461 1HG2 THR 57 1HG2 THR 57 7.833 12.369 -11.676 462 2HG2 THR 57 2HG2 THR 57 8.709 10.958 -12.269 463 3HG2 THR 57 3HG2 THR 57 7.048 10.790 -11.704 464 H VAL 58 H VAL 58 6.879 8.468 -8.280 465 HA VAL 58 HA VAL 58 8.530 8.938 -5.818 466 HB VAL 58 HB VAL 58 5.893 7.455 -6.082 467 1HG1 VAL 58 1HG1 VAL 58 7.502 6.669 -4.299 468 2HG1 VAL 58 2HG1 VAL 58 7.415 8.284 -3.596 469 3HG1 VAL 58 3HG1 VAL 58 5.969 7.278 -3.674 470 1HG2 VAL 58 1HG2 VAL 58 6.614 10.271 -5.426 471 2HG2 VAL 58 2HG2 VAL 58 5.152 9.631 -6.176 472 3HG2 VAL 58 3HG2 VAL 58 5.368 9.519 -4.430 473 H THR 59 H THR 59 10.020 7.324 -5.455 474 HA THR 59 HA THR 59 9.777 4.820 -7.089 475 HB THR 59 HB THR 59 11.654 6.468 -7.540 476 HG1 THR 59 HG1 THR 59 13.125 4.840 -7.745 477 1HG2 THR 59 1HG2 THR 59 12.724 5.489 -4.887 478 2HG2 THR 59 2HG2 THR 59 13.404 6.737 -5.932 479 3HG2 THR 59 3HG2 THR 59 11.893 7.034 -5.070 480 H ASN 60 H ASN 60 9.875 2.864 -5.987 481 HA ASN 60 HA ASN 60 10.555 2.932 -3.071 482 1HB ASN 60 1HB ASN 60 8.163 1.669 -4.450 483 2HB ASN 60 2HB ASN 60 8.569 1.432 -2.749 484 1HD2 ASN 60 2HD2 ASN 60 6.132 2.758 -3.785 485 2HD2 ASN 60 1HD2 ASN 60 6.165 4.349 -3.193 486 H SER 61 H SER 61 11.405 0.918 -2.277 487 HA SER 61 HA SER 61 11.897 -1.221 -4.303 488 1HB SER 61 1HB SER 61 13.803 0.348 -4.302 489 2HB SER 61 2HB SER 61 13.962 0.163 -2.558 490 HG SER 61 HG SER 61 15.361 -1.288 -3.366 491 H PHE 62 H PHE 62 11.600 -3.230 -3.396 492 HA PHE 62 HA PHE 62 11.981 -3.583 -0.464 493 1HB PHE 62 1HB PHE 62 9.694 -4.684 -0.423 494 2HB PHE 62 2HB PHE 62 9.662 -2.943 -0.697 495 HD1 PHE 62 HD1 PHE 62 9.242 -6.260 -2.254 496 HD2 PHE 62 HD2 PHE 62 9.073 -2.012 -2.868 497 HE1 PHE 62 HE1 PHE 62 8.061 -6.618 -4.405 498 HE2 PHE 62 HE2 PHE 62 7.892 -2.369 -5.019 499 HZ PHE 62 HZ PHE 62 7.385 -4.672 -5.787 500 H THR 63 H THR 63 11.741 -6.000 0.081 501 HA THR 63 HA THR 63 12.753 -7.649 -2.216 502 HB THR 63 HB THR 63 13.302 -7.871 0.763 503 HG1 THR 63 HG1 THR 63 14.856 -6.842 -1.373 504 1HG2 THR 63 1HG2 THR 63 14.923 -9.123 -1.432 505 2HG2 THR 63 2HG2 THR 63 14.777 -9.606 0.258 506 3HG2 THR 63 3HG2 THR 63 13.456 -9.921 -0.865 507 H LEU 64 H LEU 64 12.020 -9.870 -2.272 508 HA LEU 64 HA LEU 64 9.294 -10.244 -1.247 509 1HB LEU 64 1HB LEU 64 11.238 -11.739 -3.003 510 2HB LEU 64 2HB LEU 64 9.731 -12.497 -2.486 511 HG LEU 64 HG LEU 64 9.576 -9.731 -3.602 512 1HD1 LEU 64 1HD1 LEU 64 10.451 -12.157 -5.097 513 2HD1 LEU 64 2HD1 LEU 64 9.243 -11.131 -5.872 514 3HD1 LEU 64 3HD1 LEU 64 10.805 -10.457 -5.406 515 1HD2 LEU 64 1HD2 LEU 64 7.629 -11.089 -2.691 516 2HD2 LEU 64 2HD2 LEU 64 7.419 -10.504 -4.341 517 3HD2 LEU 64 3HD2 LEU 64 7.857 -12.187 -4.051 518 H GLY 65 H GLY 65 8.895 -11.145 0.733 519 1HA GLY 65 1HA GLY 65 9.100 -13.006 2.289 520 2HA GLY 65 2HA GLY 65 10.766 -13.226 1.747 521 H LYS 66 H LYS 66 10.461 -9.986 1.988 522 HA LYS 66 HA LYS 66 11.129 -9.923 4.910 523 1HB LYS 66 1HB LYS 66 13.114 -9.974 3.326 524 2HB LYS 66 2HB LYS 66 12.561 -8.420 2.700 525 1HG LYS 66 1HG LYS 66 12.709 -7.457 4.973 526 2HG LYS 66 2HG LYS 66 13.287 -9.007 5.587 527 1HD LYS 66 1HD LYS 66 15.225 -8.874 4.037 528 2HD LYS 66 2HD LYS 66 14.662 -7.291 3.497 529 1HE LYS 66 1HE LYS 66 15.047 -7.750 6.443 530 2HE LYS 66 2HE LYS 66 16.466 -7.433 5.423 531 1HZ LYS 66 1HZ LYS 66 13.989 -5.790 5.444 532 2HZ LYS 66 2HZ LYS 66 15.428 -5.371 6.240 533 3HZ LYS 66 3HZ LYS 66 15.397 -5.479 4.545 534 H GLU 67 H GLU 67 10.529 -7.964 5.961 535 HA GLU 67 HA GLU 67 8.324 -6.497 4.770 536 1HB GLU 67 1HB GLU 67 8.576 -7.057 7.179 537 2HB GLU 67 2HB GLU 67 9.983 -5.996 7.264 538 1HG GLU 67 1HG GLU 67 7.579 -4.748 6.091 539 2HG GLU 67 2HG GLU 67 7.419 -5.192 7.791 540 H ALA 68 H ALA 68 8.423 -4.568 3.660 541 HA ALA 68 HA ALA 68 10.983 -3.011 3.754 542 1HB ALA 68 1HB ALA 68 10.590 -4.580 1.739 543 2HB ALA 68 2HB ALA 68 9.319 -3.450 1.269 544 3HB ALA 68 3HB ALA 68 10.991 -2.901 1.376 545 H ASP 69 H ASP 69 10.697 -0.737 3.538 546 HA ASP 69 HA ASP 69 8.078 0.290 4.321 547 1HB ASP 69 1HB ASP 69 9.339 2.449 4.265 548 2HB ASP 69 2HB ASP 69 10.182 1.201 5.183 549 H ILE 70 H ILE 70 6.555 1.213 2.971 550 HA ILE 70 HA ILE 70 7.337 1.694 0.114 551 HB ILE 70 HB ILE 70 4.933 0.338 1.354 552 1HG1 ILE 70 1HG1 ILE 70 6.926 -1.046 0.871 553 2HG1 ILE 70 2HG1 ILE 70 5.586 -1.475 -0.192 554 1HG2 ILE 70 1HG2 ILE 70 4.336 2.054 -0.451 555 2HG2 ILE 70 2HG2 ILE 70 5.233 1.033 -1.575 556 3HG2 ILE 70 3HG2 ILE 70 3.809 0.398 -0.750 557 1HD1 ILE 70 1HD1 ILE 70 6.889 0.575 -1.558 558 2HD1 ILE 70 2HD1 ILE 70 8.204 -0.380 -0.871 559 3HD1 ILE 70 3HD1 ILE 70 7.008 -1.149 -1.915 560 H THR 71 H THR 71 6.463 3.578 -0.807 561 HA THR 71 HA THR 71 4.850 5.315 1.035 562 HB THR 71 HB THR 71 6.018 7.129 -0.440 563 HG1 THR 71 HG1 THR 71 7.495 6.430 -1.749 564 1HG2 THR 71 1HG2 THR 71 8.122 6.893 0.976 565 2HG2 THR 71 2HG2 THR 71 6.600 6.920 1.869 566 3HG2 THR 71 3HG2 THR 71 7.432 5.389 1.588 567 H THR 72 H THR 72 2.981 6.228 0.172 568 HA THR 72 HA THR 72 2.126 5.259 -2.500 569 HB THR 72 HB THR 72 -0.070 5.886 -1.705 570 HG1 THR 72 HG1 THR 72 -0.107 7.666 -0.609 571 1HG2 THR 72 1HG2 THR 72 0.965 5.027 0.912 572 2HG2 THR 72 2HG2 THR 72 -0.200 4.239 -0.152 573 3HG2 THR 72 3HG2 THR 72 1.530 4.047 -0.441 574 H MET 73 H MET 73 1.205 6.795 -4.059 575 HA MET 73 HA MET 73 2.791 9.175 -4.424 576 1HB MET 73 1HB MET 73 1.394 7.545 -6.018 577 2HB MET 73 2HB MET 73 0.152 8.773 -5.774 578 1HG MET 73 1HG MET 73 1.261 10.315 -7.019 579 2HG MET 73 2HG MET 73 2.828 9.868 -6.343 580 1HE MET 73 1HE MET 73 -0.096 8.735 -8.425 581 2HE MET 73 2HE MET 73 0.541 7.584 -9.597 582 3HE MET 73 3HE MET 73 0.399 7.119 -7.904 583 H ASP 74 H ASP 74 0.034 8.550 -2.505 584 HA ASP 74 HA ASP 74 -1.060 11.286 -2.653 585 1HB ASP 74 1HB ASP 74 -2.866 10.317 -1.614 586 2HB ASP 74 2HB ASP 74 -2.109 8.828 -2.182 587 H GLY 75 H GLY 75 1.298 9.549 -0.810 588 1HA GLY 75 1HA GLY 75 2.855 10.868 0.580 589 2HA GLY 75 2HA GLY 75 1.484 11.869 1.065 590 H LYS 76 H LYS 76 1.240 8.377 0.845 591 HA LYS 76 HA LYS 76 0.799 8.298 3.801 592 1HB LYS 76 1HB LYS 76 -0.322 7.020 1.393 593 2HB LYS 76 2HB LYS 76 -0.057 5.906 2.734 594 1HG LYS 76 1HG LYS 76 -1.282 7.500 4.231 595 2HG LYS 76 2HG LYS 76 -1.655 8.480 2.812 596 1HD LYS 76 1HD LYS 76 -2.701 6.418 1.781 597 2HD LYS 76 2HD LYS 76 -2.515 5.626 3.347 598 1HE LYS 76 1HE LYS 76 -4.074 7.042 4.394 599 2HE LYS 76 2HE LYS 76 -3.900 8.302 3.156 600 1HZ LYS 76 1HZ LYS 76 -4.910 5.579 2.559 601 2HZ LYS 76 2HZ LYS 76 -5.939 6.875 2.940 602 3HZ LYS 76 3HZ LYS 76 -4.957 6.945 1.556 603 H LYS 77 H LYS 77 2.152 7.056 5.077 604 HA LYS 77 HA LYS 77 4.314 5.519 3.679 605 1HB LYS 77 1HB LYS 77 5.593 5.992 5.749 606 2HB LYS 77 2HB LYS 77 4.992 7.482 5.020 607 1HG LYS 77 1HG LYS 77 3.066 7.459 6.574 608 2HG LYS 77 2HG LYS 77 3.693 5.987 7.317 609 1HD LYS 77 1HD LYS 77 4.528 7.646 8.741 610 2HD LYS 77 2HD LYS 77 5.880 7.391 7.637 611 1HE LYS 77 1HE LYS 77 5.716 9.714 7.541 612 2HE LYS 77 2HE LYS 77 4.596 9.283 6.232 613 1HZ LYS 77 1HZ LYS 77 3.770 9.545 9.071 614 2HZ LYS 77 2HZ LYS 77 3.644 10.814 7.947 615 3HZ LYS 77 3HZ LYS 77 2.763 9.385 7.711 616 H LEU 78 H LEU 78 4.424 3.330 4.073 617 HA LEU 78 HA LEU 78 3.382 2.150 6.547 618 1HB LEU 78 1HB LEU 78 1.627 0.851 5.376 619 2HB LEU 78 2HB LEU 78 1.343 2.585 5.217 620 HG LEU 78 HG LEU 78 3.050 1.425 3.107 621 1HD1 LEU 78 1HD1 LEU 78 0.397 0.301 3.760 622 2HD1 LEU 78 2HD1 LEU 78 0.594 0.796 2.079 623 3HD1 LEU 78 3HD1 LEU 78 1.701 -0.381 2.787 624 1HD2 LEU 78 1HD2 LEU 78 0.844 3.424 3.428 625 2HD2 LEU 78 2HD2 LEU 78 2.421 3.613 2.661 626 3HD2 LEU 78 3HD2 LEU 78 1.130 2.750 1.824 627 H LYS 79 H LYS 79 3.781 -0.230 6.565 628 HA LYS 79 HA LYS 79 6.063 -0.942 4.769 629 1HB LYS 79 1HB LYS 79 5.133 -2.172 7.383 630 2HB LYS 79 2HB LYS 79 6.679 -2.446 6.581 631 1HG LYS 79 1HG LYS 79 7.340 -0.142 6.931 632 2HG LYS 79 2HG LYS 79 5.742 0.265 7.559 633 1HD LYS 79 1HD LYS 79 6.074 -1.230 9.466 634 2HD LYS 79 2HD LYS 79 7.639 -1.734 8.826 635 1HE LYS 79 1HE LYS 79 8.680 0.196 9.502 636 2HE LYS 79 2HE LYS 79 7.259 1.200 9.151 637 1HZ LYS 79 1HZ LYS 79 6.139 0.175 11.057 638 2HZ LYS 79 2HZ LYS 79 7.553 -0.693 11.425 639 3HZ LYS 79 3HZ LYS 79 7.547 1.000 11.532 640 H CYS 80 H CYS 80 6.059 -3.016 3.731 641 HA CYS 80 HA CYS 80 3.638 -4.712 3.950 642 1HB CYS 80 1HB CYS 80 4.285 -2.817 1.766 643 2HB CYS 80 2HB CYS 80 3.794 -4.427 1.237 644 HG CYS 80 HG CYS 80 1.472 -3.980 2.002 645 H THR 81 H THR 81 4.140 -6.854 3.477 646 HA THR 81 HA THR 81 6.957 -7.416 2.658 647 HB THR 81 HB THR 81 5.978 -9.773 3.518 648 HG1 THR 81 HG1 THR 81 4.556 -7.961 5.119 649 1HG2 THR 81 1HG2 THR 81 6.779 -9.136 5.779 650 2HG2 THR 81 2HG2 THR 81 7.872 -8.580 4.511 651 3HG2 THR 81 3HG2 THR 81 6.770 -7.443 5.287 652 H VAL 82 H VAL 82 6.636 -7.197 0.347 653 HA VAL 82 HA VAL 82 4.555 -8.387 -1.177 654 HB VAL 82 HB VAL 82 7.476 -7.973 -1.893 655 1HG1 VAL 82 1HG1 VAL 82 4.949 -8.418 -3.450 656 2HG1 VAL 82 2HG1 VAL 82 6.217 -7.407 -4.143 657 3HG1 VAL 82 3HG1 VAL 82 6.558 -9.085 -3.722 658 1HG2 VAL 82 1HG2 VAL 82 5.839 -6.062 -0.867 659 2HG2 VAL 82 2HG2 VAL 82 7.088 -5.722 -2.065 660 3HG2 VAL 82 3HG2 VAL 82 5.414 -5.948 -2.575 661 H HIS 83 H HIS 83 4.501 -10.410 -2.327 662 HA HIS 83 HA HIS 83 6.555 -12.447 -1.618 663 1HB HIS 83 1HB HIS 83 4.014 -12.131 -0.364 664 2HB HIS 83 2HB HIS 83 3.931 -13.587 -1.355 665 HD1 HIS 83 HD1 HIS 83 6.025 -12.035 1.403 666 HD2 HIS 83 HD2 HIS 83 5.370 -15.761 -0.348 667 HE1 HIS 83 HE1 HIS 83 7.261 -13.724 2.830 668 H LEU 84 H LEU 84 6.572 -14.227 -3.118 669 HA LEU 84 HA LEU 84 5.124 -13.656 -5.671 670 1HB LEU 84 1HB LEU 84 7.789 -14.446 -4.885 671 2HB LEU 84 2HB LEU 84 7.109 -15.655 -5.975 672 HG LEU 84 HG LEU 84 7.057 -12.681 -6.542 673 1HD1 LEU 84 1HD1 LEU 84 9.377 -13.841 -6.403 674 2HD1 LEU 84 2HD1 LEU 84 8.878 -14.682 -7.871 675 3HD1 LEU 84 3HD1 LEU 84 8.996 -12.922 -7.859 676 1HD2 LEU 84 1HD2 LEU 84 5.415 -14.436 -7.603 677 2HD2 LEU 84 2HD2 LEU 84 6.219 -13.266 -8.650 678 3HD2 LEU 84 3HD2 LEU 84 6.829 -14.918 -8.541 679 H ALA 85 H ALA 85 3.167 -14.782 -5.480 680 HA ALA 85 HA ALA 85 3.320 -17.668 -4.682 681 1HB ALA 85 1HB ALA 85 1.906 -15.935 -3.415 682 2HB ALA 85 2HB ALA 85 0.874 -15.893 -4.843 683 3HB ALA 85 3HB ALA 85 1.065 -17.393 -3.937 684 H ASN 86 H ASN 86 2.838 -19.174 -6.246 685 HA ASN 86 HA ASN 86 2.381 -19.999 -8.423 686 1HB ASN 86 1HB ASN 86 0.163 -19.381 -7.189 687 2HB ASN 86 2HB ASN 86 0.093 -18.036 -8.330 688 1HD2 ASN 86 2HD2 ASN 86 -1.439 -18.684 -9.872 689 2HD2 ASN 86 1HD2 ASN 86 -1.406 -20.169 -10.693 690 H GLY 87 H GLY 87 4.212 -17.733 -8.378 691 1HA GLY 87 1HA GLY 87 5.215 -16.305 -9.950 692 2HA GLY 87 2HA GLY 87 4.123 -16.988 -11.155 693 H LYS 88 H LYS 88 3.263 -15.269 -8.162 694 HA LYS 88 HA LYS 88 2.326 -12.940 -9.758 695 1HB LYS 88 1HB LYS 88 0.605 -14.728 -8.009 696 2HB LYS 88 2HB LYS 88 0.068 -13.193 -8.693 697 1HG LYS 88 1HG LYS 88 0.519 -14.062 -10.970 698 2HG LYS 88 2HG LYS 88 1.005 -15.606 -10.271 699 1HD LYS 88 1HD LYS 88 -1.239 -15.869 -9.279 700 2HD LYS 88 2HD LYS 88 -1.729 -14.327 -9.980 701 1HE LYS 88 1HE LYS 88 -1.083 -15.321 -12.260 702 2HE LYS 88 2HE LYS 88 -1.034 -16.891 -11.432 703 1HZ LYS 88 1HZ LYS 88 -3.322 -14.994 -11.394 704 2HZ LYS 88 2HZ LYS 88 -3.254 -16.423 -12.304 705 3HZ LYS 88 3HZ LYS 88 -3.265 -16.497 -10.606 706 H LEU 89 H LEU 89 2.909 -11.123 -8.638 707 HA LEU 89 HA LEU 89 3.920 -11.272 -5.914 708 1HB LEU 89 1HB LEU 89 4.631 -9.763 -7.868 709 2HB LEU 89 2HB LEU 89 3.186 -8.812 -7.518 710 HG LEU 89 HG LEU 89 4.919 -9.471 -5.195 711 1HD1 LEU 89 1HD1 LEU 89 5.811 -7.876 -7.556 712 2HD1 LEU 89 2HD1 LEU 89 6.183 -7.238 -5.955 713 3HD1 LEU 89 3HD1 LEU 89 6.765 -8.836 -6.426 714 1HD2 LEU 89 1HD2 LEU 89 3.287 -7.131 -6.192 715 2HD2 LEU 89 2HD2 LEU 89 3.025 -8.111 -4.749 716 3HD2 LEU 89 3HD2 LEU 89 4.374 -6.975 -4.812 717 H VAL 90 H VAL 90 2.780 -10.900 -4.041 718 HA VAL 90 HA VAL 90 0.117 -9.546 -4.233 719 HB VAL 90 HB VAL 90 0.761 -12.117 -2.751 720 1HG1 VAL 90 1HG1 VAL 90 -1.590 -10.289 -2.878 721 2HG1 VAL 90 2HG1 VAL 90 -1.924 -12.021 -2.882 722 3HG1 VAL 90 3HG1 VAL 90 -1.021 -11.299 -1.548 723 1HG2 VAL 90 1HG2 VAL 90 -0.157 -11.540 -5.493 724 2HG2 VAL 90 2HG2 VAL 90 0.548 -13.015 -4.831 725 3HG2 VAL 90 3HG2 VAL 90 -1.173 -12.690 -4.622 726 H THR 91 H THR 91 0.087 -7.891 -2.767 727 HA THR 91 HA THR 91 1.806 -8.140 -0.317 728 HB THR 91 HB THR 91 1.007 -5.743 -2.003 729 HG1 THR 91 HG1 THR 91 3.506 -6.982 -1.489 730 1HG2 THR 91 1HG2 THR 91 2.756 -4.630 -0.441 731 2HG2 THR 91 2HG2 THR 91 1.129 -4.891 0.189 732 3HG2 THR 91 3HG2 THR 91 2.436 -5.987 0.638 733 H LYS 92 H LYS 92 0.004 -9.037 0.909 734 HA LYS 92 HA LYS 92 -2.496 -7.493 1.125 735 1HB LYS 92 1HB LYS 92 -3.037 -9.342 2.725 736 2HB LYS 92 2HB LYS 92 -2.489 -9.941 1.159 737 1HG LYS 92 1HG LYS 92 -0.185 -10.165 2.094 738 2HG LYS 92 2HG LYS 92 -0.811 -9.682 3.671 739 1HD LYS 92 1HD LYS 92 -1.958 -12.015 2.126 740 2HD LYS 92 2HD LYS 92 -0.621 -12.202 3.260 741 1HE LYS 92 1HE LYS 92 -1.951 -11.511 5.114 742 2HE LYS 92 2HE LYS 92 -3.220 -10.862 4.056 743 1HZ LYS 92 1HZ LYS 92 -3.407 -13.172 3.130 744 2HZ LYS 92 2HZ LYS 92 -2.438 -13.701 4.417 745 3HZ LYS 92 3HZ LYS 92 -3.950 -12.993 4.729 746 H SER 93 H SER 93 -3.254 -7.004 3.462 747 HA SER 93 HA SER 93 -1.136 -6.405 5.414 748 1HB SER 93 1HB SER 93 -0.850 -4.533 3.942 749 2HB SER 93 2HB SER 93 -2.589 -4.307 3.785 750 HG SER 93 HG SER 93 -1.899 -2.826 5.264 751 H GLU 94 H GLU 94 -2.578 -4.493 6.904 752 HA GLU 94 HA GLU 94 -4.924 -6.130 7.781 753 1HB GLU 94 1HB GLU 94 -2.946 -4.272 9.080 754 2HB GLU 94 2HB GLU 94 -4.498 -4.574 9.860 755 1HG GLU 94 1HG GLU 94 -3.992 -7.070 9.556 756 2HG GLU 94 2HG GLU 94 -2.343 -6.577 9.171 757 H LYS 95 H LYS 95 -5.063 -4.211 5.534 758 HA LYS 95 HA LYS 95 -7.463 -2.801 6.269 759 1HB LYS 95 1HB LYS 95 -6.486 -0.508 6.228 760 2HB LYS 95 2HB LYS 95 -5.842 -1.475 7.555 761 1HG LYS 95 1HG LYS 95 -3.744 -1.486 6.688 762 2HG LYS 95 2HG LYS 95 -4.329 -1.733 5.042 763 1HD LYS 95 1HD LYS 95 -3.294 0.449 5.129 764 2HD LYS 95 2HD LYS 95 -5.038 0.688 5.018 765 1HE LYS 95 1HE LYS 95 -5.065 0.852 7.564 766 2HE LYS 95 2HE LYS 95 -3.293 0.937 7.485 767 1HZ LYS 95 1HZ LYS 95 -5.104 2.678 5.903 768 2HZ LYS 95 2HZ LYS 95 -4.409 3.144 7.381 769 3HZ LYS 95 3HZ LYS 95 -3.419 2.811 6.041 770 H PHE 96 H PHE 96 -5.258 -3.961 4.062 771 HA PHE 96 HA PHE 96 -6.868 -3.267 1.770 772 1HB PHE 96 1HB PHE 96 -5.378 -1.640 0.748 773 2HB PHE 96 2HB PHE 96 -5.769 -1.079 2.373 774 HD1 PHE 96 HD1 PHE 96 -3.331 -3.572 0.974 775 HD2 PHE 96 HD2 PHE 96 -3.939 -0.087 3.412 776 HE1 PHE 96 HE1 PHE 96 -0.921 -3.557 1.553 777 HE2 PHE 96 HE2 PHE 96 -1.527 -0.072 3.991 778 HZ PHE 96 HZ PHE 96 -0.018 -1.807 3.062 779 H SER 97 H SER 97 -6.203 -4.484 -0.053 780 HA SER 97 HA SER 97 -3.766 -6.190 0.353 781 1HB SER 97 1HB SER 97 -6.301 -7.039 0.414 782 2HB SER 97 2HB SER 97 -6.086 -7.040 -1.334 783 HG SER 97 HG SER 97 -5.472 -9.032 -0.398 784 H HIS 98 H HIS 98 -2.656 -6.805 -1.652 785 HA HIS 98 HA HIS 98 -3.345 -5.184 -4.062 786 1HB HIS 98 1HB HIS 98 -1.729 -3.965 -2.584 787 2HB HIS 98 2HB HIS 98 -0.614 -5.321 -2.744 788 HD2 HIS 98 HD2 HIS 98 -1.700 -2.172 -4.749 789 HE1 HIS 98 HE1 HIS 98 0.830 -4.433 -7.282 790 HE2 HIS 98 HE2 HIS 98 -0.362 -2.235 -6.967 791 H GLU 99 H GLU 99 -2.922 -6.304 -5.963 792 HA GLU 99 HA GLU 99 -1.095 -8.647 -5.907 793 1HB GLU 99 1HB GLU 99 -4.080 -8.675 -6.396 794 2HB GLU 99 2HB GLU 99 -3.032 -9.971 -6.973 795 1HG GLU 99 1HG GLU 99 -2.256 -10.400 -4.692 796 2HG GLU 99 2HG GLU 99 -3.224 -9.054 -4.089 797 H GLN 100 H GLN 100 0.060 -8.632 -7.799 798 HA GLN 100 HA GLN 100 -1.185 -7.348 -10.208 799 1HB GLN 100 1HB GLN 100 0.480 -5.909 -9.058 800 2HB GLN 100 2HB GLN 100 1.682 -7.190 -9.221 801 1HG GLN 100 1HG GLN 100 1.713 -7.007 -11.591 802 2HG GLN 100 2HG GLN 100 0.233 -6.049 -11.613 803 1HE2 GLN 100 2HE2 GLN 100 1.434 -4.319 -12.776 804 2HE2 GLN 100 1HE2 GLN 100 2.492 -3.300 -11.925 805 H GLU 101 H GLU 101 -0.438 -8.244 -12.250 806 HA GLU 101 HA GLU 101 1.284 -10.648 -12.187 807 1HB GLU 101 1HB GLU 101 -1.678 -10.633 -12.832 808 2HB GLU 101 2HB GLU 101 -0.605 -11.959 -13.285 809 1HG GLU 101 1HG GLU 101 -1.176 -12.786 -11.237 810 2HG GLU 101 2HG GLU 101 0.053 -11.661 -10.659 811 H VAL 102 H VAL 102 2.094 -11.153 -14.284 812 HA VAL 102 HA VAL 102 1.407 -9.152 -16.413 813 HB VAL 102 HB VAL 102 3.681 -9.045 -15.367 814 1HG1 VAL 102 1HG1 VAL 102 3.832 -11.504 -14.917 815 2HG1 VAL 102 2HG1 VAL 102 4.039 -11.771 -16.649 816 3HG1 VAL 102 3HG1 VAL 102 5.253 -10.866 -15.745 817 1HG2 VAL 102 1HG2 VAL 102 3.173 -8.469 -17.811 818 2HG2 VAL 102 2HG2 VAL 102 4.860 -8.825 -17.435 819 3HG2 VAL 102 3HG2 VAL 102 3.855 -10.044 -18.218 820 H LYS 103 H LYS 103 0.789 -9.973 -18.403 821 HA LYS 103 HA LYS 103 1.089 -12.924 -18.849 822 1HB LYS 103 1HB LYS 103 -1.303 -11.096 -19.078 823 2HB LYS 103 2HB LYS 103 -1.241 -12.626 -19.952 824 1HG LYS 103 1HG LYS 103 -0.787 -13.792 -17.785 825 2HG LYS 103 2HG LYS 103 -1.012 -12.253 -16.953 826 1HD LYS 103 1HD LYS 103 -3.303 -12.097 -17.879 827 2HD LYS 103 2HD LYS 103 -3.080 -13.657 -18.672 828 1HE LYS 103 1HE LYS 103 -2.577 -14.622 -16.356 829 2HE LYS 103 2HE LYS 103 -3.185 -13.091 -15.696 830 1HZ LYS 103 1HZ LYS 103 -4.670 -14.723 -17.681 831 2HZ LYS 103 2HZ LYS 103 -4.921 -14.844 -16.004 832 3HZ LYS 103 3HZ LYS 103 -5.245 -13.384 -16.811 833 H GLY 104 H GLY 104 2.797 -12.630 -20.372 834 1HA GLY 104 1HA GLY 104 3.532 -12.436 -22.610 835 2HA GLY 104 2HA GLY 104 1.940 -11.807 -23.039 836 H ASN 105 H ASN 105 1.627 -9.577 -23.088 837 HA ASN 105 HA ASN 105 4.007 -7.889 -22.382 838 1HB ASN 105 1HB ASN 105 2.132 -7.838 -24.765 839 2HB ASN 105 2HB ASN 105 3.264 -6.534 -24.404 840 1HD2 ASN 105 2HD2 ASN 105 5.570 -7.841 -23.642 841 2HD2 ASN 105 1HD2 ASN 105 6.126 -8.854 -24.885 842 H GLU 106 H GLU 106 1.073 -8.584 -21.289 843 HA GLU 106 HA GLU 106 0.295 -5.723 -20.817 844 1HB GLU 106 1HB GLU 106 -1.376 -8.258 -20.875 845 2HB GLU 106 2HB GLU 106 -2.000 -6.628 -20.626 846 1HG GLU 106 1HG GLU 106 -1.196 -5.956 -22.845 847 2HG GLU 106 2HG GLU 106 -0.513 -7.562 -23.098 848 H MET 107 H MET 107 -0.507 -5.247 -18.651 849 HA MET 107 HA MET 107 0.271 -7.274 -16.579 850 1HB MET 107 1HB MET 107 1.199 -4.551 -17.137 851 2HB MET 107 2HB MET 107 0.673 -4.758 -15.466 852 1HG MET 107 1HG MET 107 2.082 -6.995 -15.644 853 2HG MET 107 2HG MET 107 2.905 -6.115 -16.932 854 1HE MET 107 1HE MET 107 4.786 -6.772 -15.546 855 2HE MET 107 2HE MET 107 5.513 -5.740 -14.318 856 3HE MET 107 3HE MET 107 4.356 -6.995 -13.852 857 H VAL 108 H VAL 108 -1.193 -7.468 -14.871 858 HA VAL 108 HA VAL 108 -3.527 -5.582 -14.857 859 HB VAL 108 HB VAL 108 -3.447 -8.593 -14.471 860 1HG1 VAL 108 1HG1 VAL 108 -5.160 -7.299 -13.105 861 2HG1 VAL 108 2HG1 VAL 108 -5.865 -6.778 -14.635 862 3HG1 VAL 108 3HG1 VAL 108 -5.831 -8.491 -14.217 863 1HG2 VAL 108 1HG2 VAL 108 -3.170 -7.629 -16.828 864 2HG2 VAL 108 2HG2 VAL 108 -4.524 -8.738 -16.602 865 3HG2 VAL 108 3HG2 VAL 108 -4.807 -6.998 -16.655 866 H GLU 109 H GLU 109 -3.751 -4.608 -12.883 867 HA GLU 109 HA GLU 109 -2.509 -5.943 -10.501 868 1HB GLU 109 1HB GLU 109 -2.815 -3.106 -11.449 869 2HB GLU 109 2HB GLU 109 -2.631 -3.426 -9.723 870 1HG GLU 109 1HG GLU 109 -0.545 -4.647 -10.151 871 2HG GLU 109 2HG GLU 109 -0.734 -4.388 -11.885 872 H THR 110 H THR 110 -3.885 -6.452 -8.827 873 HA THR 110 HA THR 110 -6.661 -5.311 -8.911 874 HB THR 110 HB THR 110 -5.689 -8.036 -7.984 875 HG1 THR 110 HG1 THR 110 -7.104 -7.242 -10.310 876 1HG2 THR 110 1HG2 THR 110 -8.237 -8.466 -8.205 877 2HG2 THR 110 2HG2 THR 110 -7.666 -7.587 -6.786 878 3HG2 THR 110 3HG2 THR 110 -8.390 -6.710 -8.134 879 H ILE 111 H ILE 111 -7.075 -4.058 -7.138 880 HA ILE 111 HA ILE 111 -5.698 -4.743 -4.562 881 HB ILE 111 HB ILE 111 -6.300 -1.990 -5.690 882 1HG1 ILE 111 1HG1 ILE 111 -3.648 -3.458 -5.510 883 2HG1 ILE 111 2HG1 ILE 111 -4.577 -3.256 -6.997 884 1HG2 ILE 111 1HG2 ILE 111 -6.146 -2.330 -3.160 885 2HG2 ILE 111 2HG2 ILE 111 -4.456 -2.765 -3.419 886 3HG2 ILE 111 3HG2 ILE 111 -5.027 -1.152 -3.849 887 1HD1 ILE 111 1HD1 ILE 111 -4.474 -0.766 -6.638 888 2HD1 ILE 111 2HD1 ILE 111 -3.378 -1.059 -5.287 889 3HD1 ILE 111 3HD1 ILE 111 -2.901 -1.510 -6.924 890 H THR 112 H THR 112 -7.094 -4.873 -2.830 891 HA THR 112 HA THR 112 -9.917 -3.955 -3.263 892 HB THR 112 HB THR 112 -10.443 -5.777 -1.642 893 HG1 THR 112 HG1 THR 112 -8.831 -6.367 -0.456 894 1HG2 THR 112 1HG2 THR 112 -8.652 -6.966 -3.739 895 2HG2 THR 112 2HG2 THR 112 -10.245 -7.503 -3.205 896 3HG2 THR 112 3HG2 THR 112 -10.092 -6.070 -4.221 897 H PHE 113 H PHE 113 -10.764 -2.514 -1.774 898 HA PHE 113 HA PHE 113 -9.518 -2.175 0.879 899 1HB PHE 113 1HB PHE 113 -8.192 -0.883 -0.893 900 2HB PHE 113 2HB PHE 113 -9.618 0.141 -1.067 901 HD1 PHE 113 HD1 PHE 113 -10.650 0.950 1.280 902 HD2 PHE 113 HD2 PHE 113 -6.565 -0.204 0.626 903 HE1 PHE 113 HE1 PHE 113 -9.964 2.248 3.279 904 HE2 PHE 113 HE2 PHE 113 -5.878 1.094 2.625 905 HZ PHE 113 HZ PHE 113 -7.578 2.321 3.951 906 H GLY 114 H GLY 114 -11.244 -1.895 2.232 907 1HA GLY 114 1HA GLY 114 -13.281 -1.056 3.060 908 2HA GLY 114 2HA GLY 114 -13.297 0.079 1.710 909 H GLY 115 H GLY 115 -13.106 -3.442 1.421 910 1HA GLY 115 1HA GLY 115 -14.664 -4.985 0.562 911 2HA GLY 115 2HA GLY 115 -15.927 -3.784 0.837 912 H VAL 116 H VAL 116 -13.541 -2.263 -0.881 913 HA VAL 116 HA VAL 116 -15.007 -2.723 -3.448 914 HB VAL 116 HB VAL 116 -13.207 -0.467 -2.502 915 1HG1 VAL 116 1HG1 VAL 116 -13.297 -0.759 -4.970 916 2HG1 VAL 116 2HG1 VAL 116 -15.057 -0.659 -4.900 917 3HG1 VAL 116 3HG1 VAL 116 -14.076 0.737 -4.454 918 1HG2 VAL 116 1HG2 VAL 116 -16.227 -0.719 -2.669 919 2HG2 VAL 116 2HG2 VAL 116 -15.268 -0.560 -1.198 920 3HG2 VAL 116 3HG2 VAL 116 -15.368 0.786 -2.334 921 H THR 117 H THR 117 -13.838 -3.316 -5.304 922 HA THR 117 HA THR 117 -10.920 -3.899 -4.897 923 HB THR 117 HB THR 117 -13.016 -5.366 -6.534 924 HG1 THR 117 HG1 THR 117 -13.310 -6.508 -4.809 925 1HG2 THR 117 1HG2 THR 117 -11.000 -7.105 -6.341 926 2HG2 THR 117 2HG2 THR 117 -11.070 -5.914 -7.640 927 3HG2 THR 117 3HG2 THR 117 -10.058 -5.618 -6.227 928 H LEU 118 H LEU 118 -9.591 -2.878 -6.348 929 HA LEU 118 HA LEU 118 -10.851 -1.594 -8.743 930 1HB LEU 118 1HB LEU 118 -9.809 -0.084 -7.139 931 2HB LEU 118 2HB LEU 118 -8.325 -1.037 -7.156 932 HG LEU 118 HG LEU 118 -8.046 -0.531 -9.570 933 1HD1 LEU 118 1HD1 LEU 118 -10.718 0.678 -9.113 934 2HD1 LEU 118 2HD1 LEU 118 -9.618 1.606 -10.134 935 3HD1 LEU 118 3HD1 LEU 118 -10.046 -0.048 -10.572 936 1HD2 LEU 118 1HD2 LEU 118 -8.313 1.732 -7.589 937 2HD2 LEU 118 2HD2 LEU 118 -6.844 0.938 -8.154 938 3HD2 LEU 118 3HD2 LEU 118 -7.732 2.018 -9.229 939 H ILE 119 H ILE 119 -9.935 -1.965 -10.797 940 HA ILE 119 HA ILE 119 -7.824 -4.098 -10.915 941 HB ILE 119 HB ILE 119 -10.125 -3.463 -12.794 942 1HG1 ILE 119 1HG1 ILE 119 -9.708 -5.789 -10.886 943 2HG1 ILE 119 2HG1 ILE 119 -10.805 -4.438 -10.602 944 1HG2 ILE 119 1HG2 ILE 119 -7.938 -5.549 -12.817 945 2HG2 ILE 119 2HG2 ILE 119 -9.450 -5.776 -13.696 946 3HG2 ILE 119 3HG2 ILE 119 -8.388 -4.427 -14.101 947 1HD1 ILE 119 1HD1 ILE 119 -10.956 -6.303 -12.989 948 2HD1 ILE 119 2HD1 ILE 119 -11.969 -6.432 -11.551 949 3HD1 ILE 119 3HD1 ILE 119 -12.094 -5.014 -12.593 950 H ARG 120 H ARG 120 -5.969 -2.870 -11.313 951 HA ARG 120 HA ARG 120 -6.097 -0.751 -13.413 952 1HB ARG 120 1HB ARG 120 -5.187 -0.278 -11.131 953 2HB ARG 120 2HB ARG 120 -3.932 -1.484 -11.415 954 1HG ARG 120 1HG ARG 120 -4.051 0.339 -13.648 955 2HG ARG 120 2HG ARG 120 -3.874 1.246 -12.145 956 1HD ARG 120 1HD ARG 120 -2.134 -1.134 -12.878 957 2HD ARG 120 2HD ARG 120 -1.665 0.557 -13.145 958 HE ARG 120 HE ARG 120 -2.267 -0.601 -10.449 959 1HH1 ARG 120 1HH1 ARG 120 -2.407 2.436 -11.005 960 2HH1 ARG 120 2HH1 ARG 120 -0.850 2.931 -10.430 961 1HH2 ARG 120 1HH2 ARG 120 0.441 -0.286 -10.366 962 2HH2 ARG 120 2HH2 ARG 120 0.763 1.389 -10.068 963 H ARG 121 H ARG 121 -5.608 -1.527 -15.436 964 HA ARG 121 HA ARG 121 -3.694 -3.803 -15.692 965 1HB ARG 121 1HB ARG 121 -4.735 -3.310 -18.178 966 2HB ARG 121 2HB ARG 121 -5.481 -4.384 -16.993 967 1HG ARG 121 1HG ARG 121 -6.830 -2.507 -16.133 968 2HG ARG 121 2HG ARG 121 -6.086 -1.429 -17.315 969 1HD ARG 121 1HD ARG 121 -8.307 -2.258 -18.095 970 2HD ARG 121 2HD ARG 121 -6.999 -2.822 -19.155 971 HE ARG 121 HE ARG 121 -7.785 -4.572 -16.887 972 1HH1 ARG 121 1HH1 ARG 121 -6.058 -5.678 -18.978 973 2HH1 ARG 121 2HH1 ARG 121 -7.171 -6.485 -20.032 974 1HH2 ARG 121 1HH2 ARG 121 -9.955 -4.829 -18.795 975 2HH2 ARG 121 2HH2 ARG 121 -9.377 -6.004 -19.928 976 H SER 122 H SER 122 -1.718 -3.508 -16.713 977 HA SER 122 HA SER 122 -1.168 -0.798 -17.884 978 1HB SER 122 1HB SER 122 0.776 -2.570 -16.385 979 2HB SER 122 2HB SER 122 0.973 -0.870 -16.798 980 HG SER 122 HG SER 122 -0.186 -1.968 -14.647 981 H LYS 123 H LYS 123 0.592 -0.838 -19.527 982 HA LYS 123 HA LYS 123 0.897 -3.520 -20.840 983 1HB LYS 123 1HB LYS 123 -0.757 -1.695 -21.773 984 2HB LYS 123 2HB LYS 123 0.721 -0.931 -22.360 985 1HG LYS 123 1HG LYS 123 1.339 -3.006 -23.536 986 2HG LYS 123 2HG LYS 123 -0.128 -3.784 -22.941 987 1HD LYS 123 1HD LYS 123 -1.485 -2.045 -24.098 988 2HD LYS 123 2HD LYS 123 0.002 -1.360 -24.758 989 1HE LYS 123 1HE LYS 123 0.450 -3.771 -25.654 990 2HE LYS 123 2HE LYS 123 -1.289 -4.012 -25.390 991 1HZ LYS 123 1HZ LYS 123 -1.656 -1.896 -26.604 992 2HZ LYS 123 2HZ LYS 123 -0.004 -1.872 -27.001 993 3HZ LYS 123 3HZ LYS 123 -0.995 -3.123 -27.576 994 H ARG 124 H ARG 124 2.882 -3.718 -22.120 995 HA ARG 124 HA ARG 124 5.125 -2.180 -20.956 996 1HB ARG 124 1HB ARG 124 5.086 -4.677 -21.193 997 2HB ARG 124 2HB ARG 124 5.057 -4.472 -22.945 998 1HG ARG 124 1HG ARG 124 7.196 -3.215 -22.815 999 2HG ARG 124 2HG ARG 124 7.237 -3.499 -21.074 1000 1HD ARG 124 1HD ARG 124 7.269 -5.945 -21.469 1001 2HD ARG 124 2HD ARG 124 7.255 -5.654 -23.220 1002 HE ARG 124 HE ARG 124 9.393 -4.377 -21.588 1003 1HH1 ARG 124 1HH1 ARG 124 9.268 -4.470 -24.638 1004 2HH1 ARG 124 2HH1 ARG 124 10.435 -5.704 -24.980 1005 1HH2 ARG 124 1HH2 ARG 124 10.506 -6.909 -21.729 1006 2HH2 ARG 124 2HH2 ARG 124 11.136 -7.085 -23.333 1007 H VAL 125 HN VAL 125 6.261 -0.625 -22.087 1008 HA VAL 125 HA VAL 125 5.617 -0.280 -25.000 1009 HB VAL 125 HB VAL 125 5.729 2.159 -24.528 1010 1HG1 VAL 125 1HG1 VAL 125 3.857 0.596 -22.724 1011 2HG1 VAL 125 2HG1 VAL 125 3.650 2.290 -23.173 1012 3HG1 VAL 125 3HG1 VAL 125 3.555 1.032 -24.406 1013 1HG2 VAL 125 1HG2 VAL 125 7.299 1.845 -22.550 1014 2HG2 VAL 125 2HG2 VAL 125 5.976 2.980 -22.281 1015 3HG2 VAL 125 3HG2 VAL 125 5.890 1.350 -21.613 1016 1H1 JN3 130 1H1 JN3 130 -3.994 1.924 -7.264 1017 2H1 JN3 130 2H1 JN3 130 -3.532 3.240 -8.395 1018 1H2 JN3 130 1H2 JN3 130 -1.327 3.311 -7.435 1019 2H2 JN3 130 2H2 JN3 130 -1.733 1.660 -8.046 1020 H3 JN3 130 H3 JN3 130 -2.352 0.929 -5.670 1021 HO3 JN3 130 HO3 JN3 130 -0.228 1.111 -4.638 1022 1H4 JN3 130 1H4 JN3 130 -1.524 3.755 -4.862 1023 2H4 JN3 130 2H4 JN3 130 -2.009 2.462 -3.749 1024 H5 JN3 130 H5 JN3 130 -4.340 2.402 -4.898 1025 1H6 JN3 130 1H6 JN3 130 -4.064 3.885 -2.887 1026 2H6 JN3 130 2H6 JN3 130 -5.230 4.510 -4.043 1027 H7 JN3 130 H7 JN3 130 -3.718 6.298 -3.181 1028 HO7 JN3 130 HO7 JN3 130 -1.824 4.931 -2.893 1029 H8 JN3 130 H8 JN3 130 -4.678 6.520 -5.440 1030 H9 JN3 130 H9 JN3 130 -1.980 5.143 -6.368 1031 1H11 JN3 130 1H11 JN3 130 -4.325 6.230 -8.060 1032 2H11 JN3 130 2H11 JN3 130 -2.950 5.341 -8.718 1033 1H12 JN3 130 1H12 JN3 130 -2.553 7.767 -9.008 1034 2H12 JN3 130 2H12 JN3 130 -1.399 7.157 -7.819 1035 H14 JN3 130 H14 JN3 130 -1.727 7.554 -5.347 1036 1H15 JN3 130 1H15 JN3 130 -2.755 8.718 -3.548 1037 2H15 JN3 130 2H15 JN3 130 -4.285 8.889 -4.402 1038 1H16 JN3 130 1H16 JN3 130 -1.832 10.502 -4.666 1039 2H16 JN3 130 2H16 JN3 130 -3.472 10.827 -5.336 1040 H17 JN3 130 H17 JN3 130 -1.093 9.436 -6.702 1041 1H18 JN3 130 1H18 JN3 130 -4.940 9.441 -6.464 1042 2H18 JN3 130 2H18 JN3 130 -4.754 9.111 -8.202 1043 3H18 JN3 130 3H18 JN3 130 -5.178 7.791 -7.086 1044 1H19 JN3 130 1H19 JN3 130 -5.784 4.794 -5.967 1045 2H19 JN3 130 2H19 JN3 130 -5.542 4.414 -7.689 1046 3H19 JN3 130 3H19 JN3 130 -5.924 3.114 -6.535 1047 H20 JN3 130 H20 JN3 130 -3.194 11.346 -7.707 1048 1H21 JN3 130 1H21 JN3 130 -2.201 11.398 -9.861 1049 2H21 JN3 130 2H21 JN3 130 -1.185 9.997 -9.446 1050 3H21 JN3 130 3H21 JN3 130 -2.955 9.823 -9.520 1051 1H22 JN3 130 1H22 JN3 130 -0.893 12.447 -8.436 1052 2H22 JN3 130 2H22 JN3 130 -0.241 11.383 -7.143 1053 1H23 JN3 130 1H23 JN3 130 -0.628 13.218 -5.823 1054 2H23 JN3 130 2H23 JN3 130 -2.277 12.644 -5.805 1055 1H1 JN3 131 1H1 JN3 131 4.871 -4.906 -4.350 1056 2H1 JN3 131 2H1 JN3 131 3.216 -4.958 -3.653 1057 1H2 JN3 131 1H2 JN3 131 2.337 -3.898 -5.626 1058 2H2 JN3 131 2H2 JN3 131 3.223 -5.420 -6.027 1059 H3 JN3 131 H3 JN3 131 5.297 -4.051 -6.655 1060 HO3 JN3 131 HO3 JN3 131 4.034 -2.523 -8.338 1061 1H4 JN3 131 1H4 JN3 131 3.570 -1.618 -6.001 1062 2H4 JN3 131 2H4 JN3 131 5.216 -1.570 -6.660 1063 H5 JN3 131 H5 JN3 131 6.063 -2.785 -4.524 1064 1H6 JN3 131 1H6 JN3 131 6.099 -0.272 -4.533 1065 2H6 JN3 131 2H6 JN3 131 5.831 -0.948 -2.934 1066 H7 JN3 131 H7 JN3 131 4.321 0.983 -3.398 1067 HO7 JN3 131 HO7 JN3 131 3.665 1.076 -5.442 1068 H8 JN3 131 H8 JN3 131 3.577 -0.782 -1.850 1069 H9 JN3 131 H9 JN3 131 2.233 -2.029 -4.435 1070 1H11 JN3 131 1H11 JN3 131 2.133 -2.989 -1.500 1071 2H11 JN3 131 2H11 JN3 131 1.459 -3.883 -2.864 1072 1H12 JN3 131 1H12 JN3 131 -0.356 -2.609 -1.762 1073 2H12 JN3 131 2H12 JN3 131 -0.072 -1.901 -3.354 1074 H14 JN3 131 H14 JN3 131 1.215 0.254 -3.621 1075 1H15 JN3 131 1H15 JN3 131 2.122 2.257 -2.721 1076 2H15 JN3 131 2H15 JN3 131 2.503 1.508 -1.174 1077 1H16 JN3 131 1H16 JN3 131 -0.080 2.551 -2.134 1078 2H16 JN3 131 2H16 JN3 131 0.376 2.026 -0.472 1079 H17 JN3 131 H17 JN3 131 -0.995 0.386 -2.683 1080 1H18 JN3 131 1H18 JN3 131 1.482 0.130 0.257 1081 2H18 JN3 131 2H18 JN3 131 0.635 -1.423 0.451 1082 3H18 JN3 131 3H18 JN3 131 2.261 -1.380 -0.272 1083 1H19 JN3 131 1H19 JN3 131 4.979 -2.364 -1.768 1084 2H19 JN3 131 2H19 JN3 131 4.136 -3.927 -1.651 1085 3H19 JN3 131 3H19 JN3 131 5.744 -3.839 -2.407 1086 H20 JN3 131 H20 JN3 131 -1.302 -0.108 0.268 1087 1H21 JN3 131 1H21 JN3 131 -3.532 -0.758 -0.208 1088 2H21 JN3 131 2H21 JN3 131 -3.257 -0.494 -1.946 1089 3H21 JN3 131 3H21 JN3 131 -2.351 -1.761 -1.085 1090 1H22 JN3 131 1H22 JN3 131 -3.351 1.619 -0.975 1091 2H22 JN3 131 2H22 JN3 131 -1.728 2.377 -0.834 1092 1H23 JN3 131 1H23 JN3 131 -2.048 1.450 1.709 1093 2H23 JN3 131 2H23 JN3 131 -3.719 1.736 1.296 Start of MODEL 17 1 1H ALA 1 1H ALA 1 6.936 -10.963 -20.126 2 2H ALA 1 2H ALA 1 6.917 -9.268 -20.230 3 3H ALA 1 3H ALA 1 5.604 -10.095 -19.538 4 HA ALA 1 HA ALA 1 7.062 -10.872 -17.726 5 1HB ALA 1 1HB ALA 1 8.956 -9.355 -19.500 6 2HB ALA 1 2HB ALA 1 9.296 -9.471 -17.773 7 3HB ALA 1 3HB ALA 1 9.167 -10.936 -18.748 8 H PHE 2 H PHE 2 7.634 -9.329 -15.874 9 HA PHE 2 HA PHE 2 5.707 -7.119 -15.830 10 1HB PHE 2 1HB PHE 2 7.698 -8.320 -13.890 11 2HB PHE 2 2HB PHE 2 6.671 -6.951 -13.465 12 HD1 PHE 2 HD1 PHE 2 6.745 -10.537 -14.296 13 HD2 PHE 2 HD2 PHE 2 4.252 -7.202 -13.242 14 HE1 PHE 2 HE1 PHE 2 4.870 -12.090 -13.818 15 HE2 PHE 2 HE2 PHE 2 2.378 -8.754 -12.762 16 HZ PHE 2 HZ PHE 2 2.687 -11.198 -13.050 17 H SER 3 H SER 3 9.210 -7.498 -16.079 18 HA SER 3 HA SER 3 10.052 -4.863 -15.456 19 1HB SER 3 1HB SER 3 12.041 -5.507 -16.683 20 2HB SER 3 2HB SER 3 11.424 -6.946 -15.875 21 HG SER 3 HG SER 3 11.932 -7.320 -18.083 22 H GLY 4 H GLY 4 10.328 -2.999 -16.778 23 1HA GLY 4 1HA GLY 4 10.295 -2.065 -19.115 24 2HA GLY 4 2HA GLY 4 8.875 -3.075 -19.393 25 H THR 5 H THR 5 8.735 -0.317 -19.813 26 HA THR 5 HA THR 5 7.607 0.995 -17.442 27 HB THR 5 HB THR 5 7.547 1.811 -20.362 28 HG1 THR 5 HG1 THR 5 9.641 1.647 -20.056 29 1HG2 THR 5 1HG2 THR 5 7.636 3.493 -17.846 30 2HG2 THR 5 2HG2 THR 5 7.378 4.056 -19.498 31 3HG2 THR 5 3HG2 THR 5 6.145 3.085 -18.695 32 H TRP 6 H TRP 6 5.387 1.423 -17.108 33 HA TRP 6 HA TRP 6 3.476 0.103 -19.008 34 1HB TRP 6 1HB TRP 6 3.644 0.040 -15.982 35 2HB TRP 6 2HB TRP 6 2.216 -0.490 -16.871 36 HD1 TRP 6 HD1 TRP 6 5.619 -1.595 -15.803 37 HE1 TRP 6 HE1 TRP 6 6.113 -3.949 -16.731 38 HE3 TRP 6 HE3 TRP 6 1.728 -2.088 -19.073 39 HZ2 TRP 6 HZ2 TRP 6 5.003 -5.797 -18.612 40 HZ3 TRP 6 HZ3 TRP 6 1.471 -4.153 -20.419 41 HH2 TRP 6 HH2 TRP 6 3.101 -6.007 -20.193 42 H GLN 7 H GLN 7 1.849 1.473 -19.644 43 HA GLN 7 HA GLN 7 1.566 4.078 -18.209 44 1HB GLN 7 1HB GLN 7 0.977 3.037 -20.982 45 2HB GLN 7 2HB GLN 7 0.303 4.570 -20.425 46 1HG GLN 7 1HG GLN 7 2.677 5.246 -19.800 47 2HG GLN 7 2HG GLN 7 3.224 3.823 -20.685 48 1HE2 GLN 7 2HE2 GLN 7 3.724 6.657 -21.424 49 2HE2 GLN 7 1HE2 GLN 7 3.024 6.877 -22.954 50 H VAL 8 H VAL 8 -0.129 4.149 -16.787 51 HA VAL 8 HA VAL 8 -2.100 2.366 -16.200 52 HB VAL 8 HB VAL 8 -2.136 5.376 -16.413 53 1HG1 VAL 8 1HG1 VAL 8 -4.370 3.507 -15.738 54 2HG1 VAL 8 2HG1 VAL 8 -4.199 4.973 -14.772 55 3HG1 VAL 8 3HG1 VAL 8 -4.428 5.088 -16.517 56 1HG2 VAL 8 1HG2 VAL 8 -0.804 3.874 -14.694 57 2HG2 VAL 8 2HG2 VAL 8 -1.639 5.324 -14.135 58 3HG2 VAL 8 3HG2 VAL 8 -2.377 3.738 -13.908 59 H TYR 9 H TYR 9 -3.883 1.492 -17.215 60 HA TYR 9 HA TYR 9 -4.519 2.453 -19.964 61 1HB TYR 9 1HB TYR 9 -4.514 -0.072 -18.457 62 2HB TYR 9 2HB TYR 9 -5.953 0.140 -19.455 63 HD1 TYR 9 HD1 TYR 9 -5.357 1.264 -21.871 64 HD2 TYR 9 HD2 TYR 9 -2.724 -1.145 -19.479 65 HE1 TYR 9 HE1 TYR 9 -4.041 0.693 -23.894 66 HE2 TYR 9 HE2 TYR 9 -1.407 -1.715 -21.502 67 HH TYR 9 HH TYR 9 -1.660 -1.791 -23.896 68 H ALA 10 H ALA 10 -6.335 1.275 -17.097 69 HA ALA 10 HA ALA 10 -8.243 3.509 -17.337 70 1HB ALA 10 1HB ALA 10 -8.611 0.993 -18.661 71 2HB ALA 10 2HB ALA 10 -9.810 1.120 -17.374 72 3HB ALA 10 3HB ALA 10 -9.713 2.369 -18.615 73 H GLN 11 H GLN 11 -9.872 3.401 -15.539 74 HA GLN 11 HA GLN 11 -9.051 1.599 -13.294 75 1HB GLN 11 1HB GLN 11 -9.195 3.625 -11.821 76 2HB GLN 11 2HB GLN 11 -7.918 3.748 -13.032 77 1HG GLN 11 1HG GLN 11 -10.104 4.772 -14.371 78 2HG GLN 11 2HG GLN 11 -10.361 5.350 -12.725 79 1HE2 GLN 11 2HE2 GLN 11 -9.554 7.459 -12.658 80 2HE2 GLN 11 1HE2 GLN 11 -8.045 7.939 -13.270 81 H GLU 12 H GLU 12 -10.945 0.405 -13.122 82 HA GLU 12 HA GLU 12 -13.570 1.779 -13.335 83 1HB GLU 12 1HB GLU 12 -13.069 -0.358 -14.518 84 2HB GLU 12 2HB GLU 12 -12.809 -1.137 -12.957 85 1HG GLU 12 1HG GLU 12 -15.108 -0.729 -12.303 86 2HG GLU 12 2HG GLU 12 -15.392 0.234 -13.752 87 H ASN 13 H ASN 13 -14.635 2.418 -11.503 88 HA ASN 13 HA ASN 13 -15.434 2.301 -9.257 89 1HB ASN 13 1HB ASN 13 -15.128 -0.177 -9.661 90 2HB ASN 13 2HB ASN 13 -13.489 -0.015 -9.030 91 1HD2 ASN 13 2HD2 ASN 13 -16.931 0.372 -8.124 92 2HD2 ASN 13 1HD2 ASN 13 -16.669 0.234 -6.452 93 H TYR 14 H TYR 14 -12.301 2.855 -10.331 94 HA TYR 14 HA TYR 14 -10.477 3.116 -8.373 95 1HB TYR 14 1HB TYR 14 -11.082 4.443 -10.731 96 2HB TYR 14 2HB TYR 14 -11.045 5.749 -9.546 97 HD1 TYR 14 HD1 TYR 14 -9.106 2.696 -8.972 98 HD2 TYR 14 HD2 TYR 14 -8.986 6.693 -10.542 99 HE1 TYR 14 HE1 TYR 14 -6.627 2.623 -8.967 100 HE2 TYR 14 HE2 TYR 14 -6.507 6.619 -10.537 101 HH TYR 14 HH TYR 14 -4.713 5.110 -10.483 102 H GLU 15 H GLU 15 -12.703 5.893 -8.689 103 HA GLU 15 HA GLU 15 -12.365 7.131 -6.266 104 1HB GLU 15 1HB GLU 15 -14.943 6.505 -7.740 105 2HB GLU 15 2HB GLU 15 -14.800 7.737 -6.486 106 1HG GLU 15 1HG GLU 15 -13.057 8.881 -7.818 107 2HG GLU 15 2HG GLU 15 -13.232 7.662 -9.080 108 H GLU 16 H GLU 16 -14.907 4.635 -6.719 109 HA GLU 16 HA GLU 16 -15.755 4.255 -4.120 110 1HB GLU 16 1HB GLU 16 -15.199 2.371 -6.408 111 2HB GLU 16 2HB GLU 16 -15.884 1.767 -4.899 112 1HG GLU 16 1HG GLU 16 -17.650 3.597 -5.123 113 2HG GLU 16 2HG GLU 16 -17.058 3.834 -6.767 114 H PHE 17 H PHE 17 -13.004 2.459 -5.571 115 HA PHE 17 HA PHE 17 -12.117 1.110 -3.269 116 1HB PHE 17 1HB PHE 17 -11.304 0.793 -5.586 117 2HB PHE 17 2HB PHE 17 -10.507 2.365 -5.518 118 HD1 PHE 17 HD1 PHE 17 -10.522 -1.076 -4.143 119 HD2 PHE 17 HD2 PHE 17 -8.448 2.683 -4.307 120 HE1 PHE 17 HE1 PHE 17 -8.539 -2.123 -3.083 121 HE2 PHE 17 HE2 PHE 17 -6.465 1.634 -3.248 122 HZ PHE 17 HZ PHE 17 -6.511 -0.768 -2.636 123 H LEU 18 H LEU 18 -11.158 4.366 -4.414 124 HA LEU 18 HA LEU 18 -9.299 4.986 -2.364 125 1HB LEU 18 1HB LEU 18 -11.221 6.627 -4.034 126 2HB LEU 18 2HB LEU 18 -10.011 7.366 -2.984 127 HG LEU 18 HG LEU 18 -9.316 5.312 -5.094 128 1HD1 LEU 18 1HD1 LEU 18 -9.646 8.293 -5.261 129 2HD1 LEU 18 2HD1 LEU 18 -8.393 7.506 -6.222 130 3HD1 LEU 18 3HD1 LEU 18 -10.085 7.056 -6.440 131 1HD2 LEU 18 1HD2 LEU 18 -7.846 7.027 -3.145 132 2HD2 LEU 18 2HD2 LEU 18 -7.468 5.403 -3.718 133 3HD2 LEU 18 3HD2 LEU 18 -7.108 6.802 -4.731 134 H LYS 19 H LYS 19 -12.834 5.526 -2.479 135 HA LYS 19 HA LYS 19 -13.200 6.922 -0.071 136 1HB LYS 19 1HB LYS 19 -14.821 4.791 -1.489 137 2HB LYS 19 2HB LYS 19 -15.452 5.717 -0.125 138 1HG LYS 19 1HG LYS 19 -15.026 7.817 -1.357 139 2HG LYS 19 2HG LYS 19 -14.417 6.886 -2.726 140 1HD LYS 19 1HD LYS 19 -16.602 5.782 -2.965 141 2HD LYS 19 2HD LYS 19 -17.218 6.681 -1.578 142 1HE LYS 19 1HE LYS 19 -17.291 8.700 -2.747 143 2HE LYS 19 2HE LYS 19 -16.024 8.199 -3.886 144 1HZ LYS 19 1HZ LYS 19 -17.613 6.420 -4.624 145 2HZ LYS 19 2HZ LYS 19 -18.821 7.224 -3.742 146 3HZ LYS 19 3HZ LYS 19 -18.063 8.004 -5.043 147 H ALA 20 H ALA 20 -12.916 3.396 -0.566 148 HA ALA 20 HA ALA 20 -13.341 2.680 2.196 149 1HB ALA 20 1HB ALA 20 -13.171 1.417 -0.232 150 2HB ALA 20 2HB ALA 20 -11.636 0.959 0.503 151 3HB ALA 20 3HB ALA 20 -13.152 0.579 1.319 152 H LEU 21 H LEU 21 -10.494 3.600 0.318 153 HA LEU 21 HA LEU 21 -8.482 2.719 2.166 154 1HB LEU 21 1HB LEU 21 -8.612 3.833 -0.338 155 2HB LEU 21 2HB LEU 21 -7.998 5.186 0.614 156 HG LEU 21 HG LEU 21 -6.292 3.560 1.587 157 1HD1 LEU 21 1HD1 LEU 21 -7.550 1.512 0.872 158 2HD1 LEU 21 2HD1 LEU 21 -7.151 1.900 -0.801 159 3HD1 LEU 21 3HD1 LEU 21 -5.868 1.513 0.345 160 1HD2 LEU 21 1HD2 LEU 21 -6.376 4.422 -1.298 161 2HD2 LEU 21 2HD2 LEU 21 -5.417 5.083 0.027 162 3HD2 LEU 21 3HD2 LEU 21 -4.988 3.525 -0.680 163 H ALA 22 H ALA 22 -10.742 5.332 2.291 164 HA ALA 22 HA ALA 22 -11.127 6.848 4.086 165 1HB ALA 22 1HB ALA 22 -9.873 4.839 5.258 166 2HB ALA 22 2HB ALA 22 -8.523 5.970 5.299 167 3HB ALA 22 3HB ALA 22 -10.039 6.378 6.101 168 H LEU 23 H LEU 23 -9.384 7.319 1.642 169 HA LEU 23 HA LEU 23 -7.246 9.117 2.473 170 1HB LEU 23 1HB LEU 23 -8.654 8.396 -0.101 171 2HB LEU 23 2HB LEU 23 -7.418 9.654 -0.061 172 HG LEU 23 HG LEU 23 -7.014 6.817 0.932 173 1HD1 LEU 23 1HD1 LEU 23 -6.634 8.127 -1.720 174 2HD1 LEU 23 2HD1 LEU 23 -5.364 7.029 -1.177 175 3HD1 LEU 23 3HD1 LEU 23 -7.022 6.450 -1.340 176 1HD2 LEU 23 1HD2 LEU 23 -5.346 9.304 0.826 177 2HD2 LEU 23 2HD2 LEU 23 -5.426 8.064 2.078 178 3HD2 LEU 23 3HD2 LEU 23 -4.550 7.750 0.581 179 HA PRO 24 HA PRO 24 -9.517 12.852 2.844 180 1HB PRO 24 1HB PRO 24 -7.806 14.673 1.729 181 2HB PRO 24 2HB PRO 24 -7.512 13.911 3.305 182 1HG PRO 24 1HG PRO 24 -6.335 13.278 0.647 183 2HG PRO 24 2HG PRO 24 -5.579 13.272 2.248 184 1HD PRO 24 1HD PRO 24 -6.395 11.012 0.945 185 2HD PRO 24 2HD PRO 24 -6.278 11.146 2.713 186 H GLU 25 H GLU 25 -11.098 13.921 1.652 187 HA GLU 25 HA GLU 25 -11.757 13.177 -0.990 188 1HB GLU 25 1HB GLU 25 -12.362 15.671 0.629 189 2HB GLU 25 2HB GLU 25 -13.217 15.225 -0.847 190 1HG GLU 25 1HG GLU 25 -13.953 13.127 0.170 191 2HG GLU 25 2HG GLU 25 -13.033 13.489 1.632 192 H ASP 26 H ASP 26 -9.826 15.933 0.177 193 HA ASP 26 HA ASP 26 -9.548 17.344 -2.274 194 1HB ASP 26 1HB ASP 26 -8.904 18.048 0.062 195 2HB ASP 26 2HB ASP 26 -7.503 16.983 -0.062 196 H LEU 27 H LEU 27 -7.991 14.415 -1.106 197 HA LEU 27 HA LEU 27 -5.970 14.455 -3.268 198 1HB LEU 27 1HB LEU 27 -5.378 13.717 -1.008 199 2HB LEU 27 2HB LEU 27 -6.657 12.501 -1.047 200 HG LEU 27 HG LEU 27 -5.521 11.479 -3.050 201 1HD1 LEU 27 1HD1 LEU 27 -3.968 13.881 -2.808 202 2HD1 LEU 27 2HD1 LEU 27 -2.900 12.494 -2.597 203 3HD1 LEU 27 3HD1 LEU 27 -3.878 12.639 -4.057 204 1HD2 LEU 27 1HD2 LEU 27 -4.591 11.521 -0.270 205 2HD2 LEU 27 2HD2 LEU 27 -4.858 10.145 -1.340 206 3HD2 LEU 27 3HD2 LEU 27 -3.332 11.028 -1.402 207 H ILE 28 H ILE 28 -8.979 12.798 -2.412 208 HA ILE 28 HA ILE 28 -8.823 10.740 -4.432 209 HB ILE 28 HB ILE 28 -11.114 12.038 -2.923 210 1HG1 ILE 28 1HG1 ILE 28 -9.738 9.374 -2.477 211 2HG1 ILE 28 2HG1 ILE 28 -9.292 10.850 -1.619 212 1HG2 ILE 28 1HG2 ILE 28 -11.892 10.908 -4.987 213 2HG2 ILE 28 2HG2 ILE 28 -11.050 9.440 -4.489 214 3HG2 ILE 28 3HG2 ILE 28 -12.411 10.041 -3.542 215 1HD1 ILE 28 1HD1 ILE 28 -12.170 10.002 -1.666 216 2HD1 ILE 28 2HD1 ILE 28 -11.055 9.198 -0.561 217 3HD1 ILE 28 3HD1 ILE 28 -11.305 10.941 -0.450 218 H LYS 29 H LYS 29 -10.472 13.916 -4.319 219 HA LYS 29 HA LYS 29 -11.572 13.726 -6.986 220 1HB LYS 29 1HB LYS 29 -10.942 16.100 -5.198 221 2HB LYS 29 2HB LYS 29 -12.026 16.130 -6.590 222 1HG LYS 29 1HG LYS 29 -13.093 14.044 -5.250 223 2HG LYS 29 2HG LYS 29 -12.446 14.961 -3.890 224 1HD LYS 29 1HD LYS 29 -14.673 15.770 -4.239 225 2HD LYS 29 2HD LYS 29 -13.593 17.008 -4.883 226 1HE LYS 29 1HE LYS 29 -13.909 15.482 -7.106 227 2HE LYS 29 2HE LYS 29 -15.482 15.224 -6.323 228 1HZ LYS 29 1HZ LYS 29 -15.629 17.640 -5.990 229 2HZ LYS 29 2HZ LYS 29 -14.188 17.847 -6.857 230 3HZ LYS 29 3HZ LYS 29 -15.565 17.229 -7.637 231 H MET 30 H MET 30 -8.434 14.549 -5.742 232 HA MET 30 HA MET 30 -7.628 15.995 -8.198 233 1HB MET 30 1HB MET 30 -6.308 15.243 -5.577 234 2HB MET 30 2HB MET 30 -5.445 16.077 -6.870 235 1HG MET 30 1HG MET 30 -8.025 17.090 -5.647 236 2HG MET 30 2HG MET 30 -6.424 17.622 -5.137 237 1HE MET 30 1HE MET 30 -4.622 17.900 -7.297 238 2HE MET 30 2HE MET 30 -4.930 19.468 -8.057 239 3HE MET 30 3HE MET 30 -4.986 19.310 -6.303 240 H ALA 31 H ALA 31 -7.265 12.833 -6.683 241 HA ALA 31 HA ALA 31 -5.352 11.989 -8.815 242 1HB ALA 31 1HB ALA 31 -6.045 11.210 -6.034 243 2HB ALA 31 2HB ALA 31 -5.592 9.887 -7.107 244 3HB ALA 31 3HB ALA 31 -4.475 11.225 -6.836 245 H ARG 32 H ARG 32 -8.648 12.064 -8.295 246 HA ARG 32 HA ARG 32 -9.495 9.427 -9.051 247 1HB ARG 32 1HB ARG 32 -11.631 10.549 -9.406 248 2HB ARG 32 2HB ARG 32 -10.851 11.260 -7.993 249 1HG ARG 32 1HG ARG 32 -11.101 13.264 -8.997 250 2HG ARG 32 2HG ARG 32 -9.869 12.747 -10.147 251 1HD ARG 32 1HD ARG 32 -11.508 11.964 -11.707 252 2HD ARG 32 2HD ARG 32 -12.806 12.080 -10.501 253 HE ARG 32 HE ARG 32 -12.297 14.592 -10.493 254 1HH1 ARG 32 1HH1 ARG 32 -13.417 13.121 -13.108 255 2HH1 ARG 32 2HH1 ARG 32 -12.664 14.123 -14.304 256 1HH2 ARG 32 1HH2 ARG 32 -10.511 15.648 -12.054 257 2HH2 ARG 32 2HH2 ARG 32 -11.019 15.553 -13.708 258 H ASP 33 H ASP 33 -7.895 11.849 -10.840 259 HA ASP 33 HA ASP 33 -8.519 10.406 -13.380 260 1HB ASP 33 1HB ASP 33 -9.950 12.487 -12.972 261 2HB ASP 33 2HB ASP 33 -8.460 13.421 -13.112 262 H ILE 34 H ILE 34 -6.159 10.072 -11.912 263 HA ILE 34 HA ILE 34 -4.167 11.665 -13.497 264 HB ILE 34 HB ILE 34 -4.383 10.819 -10.640 265 1HG1 ILE 34 1HG1 ILE 34 -3.169 13.205 -12.074 266 2HG1 ILE 34 2HG1 ILE 34 -4.767 13.154 -11.327 267 1HG2 ILE 34 1HG2 ILE 34 -1.965 10.508 -12.303 268 2HG2 ILE 34 2HG2 ILE 34 -1.722 11.446 -10.829 269 3HG2 ILE 34 3HG2 ILE 34 -2.351 9.801 -10.733 270 1HD1 ILE 34 1HD1 ILE 34 -3.400 12.402 -9.193 271 2HD1 ILE 34 2HD1 ILE 34 -2.067 13.205 -10.024 272 3HD1 ILE 34 3HD1 ILE 34 -3.524 14.110 -9.612 273 H LYS 35 H LYS 35 -3.363 10.311 -15.065 274 HA LYS 35 HA LYS 35 -3.218 7.392 -14.591 275 1HB LYS 35 1HB LYS 35 -2.543 9.154 -16.971 276 2HB LYS 35 2HB LYS 35 -2.634 7.393 -17.001 277 1HG LYS 35 1HG LYS 35 -4.874 7.449 -17.224 278 2HG LYS 35 2HG LYS 35 -5.033 8.512 -15.825 279 1HD LYS 35 1HD LYS 35 -5.691 10.091 -17.308 280 2HD LYS 35 2HD LYS 35 -3.987 10.196 -17.753 281 1HE LYS 35 1HE LYS 35 -5.552 8.007 -19.036 282 2HE LYS 35 2HE LYS 35 -5.892 9.662 -19.580 283 1HZ LYS 35 1HZ LYS 35 -3.168 8.505 -19.304 284 2HZ LYS 35 2HZ LYS 35 -4.008 8.633 -20.776 285 3HZ LYS 35 3HZ LYS 35 -3.562 10.034 -19.931 286 HA PRO 36 HA PRO 36 1.067 8.660 -13.438 287 1HB PRO 36 1HB PRO 36 1.286 6.912 -11.344 288 2HB PRO 36 2HB PRO 36 0.579 8.532 -11.180 289 1HG PRO 36 1HG PRO 36 -0.772 5.893 -11.416 290 2HG PRO 36 2HG PRO 36 -1.206 7.301 -10.435 291 1HD PRO 36 1HD PRO 36 -2.437 6.650 -12.788 292 2HD PRO 36 2HD PRO 36 -2.342 8.304 -12.146 293 H ILE 37 H ILE 37 2.908 7.539 -14.141 294 HA ILE 37 HA ILE 37 2.453 4.952 -15.493 295 HB ILE 37 HB ILE 37 4.858 6.792 -15.266 296 1HG1 ILE 37 1HG1 ILE 37 3.373 6.559 -17.807 297 2HG1 ILE 37 2HG1 ILE 37 2.461 7.312 -16.499 298 1HG2 ILE 37 1HG2 ILE 37 4.289 4.288 -16.833 299 2HG2 ILE 37 2HG2 ILE 37 5.369 5.515 -17.498 300 3HG2 ILE 37 3HG2 ILE 37 5.753 4.742 -15.960 301 1HD1 ILE 37 1HD1 ILE 37 5.232 8.148 -17.407 302 2HD1 ILE 37 2HD1 ILE 37 3.734 8.997 -17.790 303 3HD1 ILE 37 3HD1 ILE 37 4.295 8.907 -16.120 304 H VAL 38 H VAL 38 4.087 3.180 -15.148 305 HA VAL 38 HA VAL 38 5.319 3.175 -12.426 306 HB VAL 38 HB VAL 38 3.329 1.217 -13.605 307 1HG1 VAL 38 1HG1 VAL 38 5.347 0.906 -11.409 308 2HG1 VAL 38 2HG1 VAL 38 3.773 0.131 -11.234 309 3HG1 VAL 38 3HG1 VAL 38 4.808 -0.273 -12.605 310 1HG2 VAL 38 1HG2 VAL 38 3.397 2.994 -11.153 311 2HG2 VAL 38 2HG2 VAL 38 2.256 3.058 -12.496 312 3HG2 VAL 38 3HG2 VAL 38 2.214 1.703 -11.367 313 H GLU 39 H GLU 39 7.458 2.856 -12.979 314 HA GLU 39 HA GLU 39 8.176 1.143 -15.279 315 1HB GLU 39 1HB GLU 39 9.207 3.395 -14.623 316 2HB GLU 39 2HB GLU 39 9.973 2.541 -13.282 317 1HG GLU 39 1HG GLU 39 11.100 1.033 -14.830 318 2HG GLU 39 2HG GLU 39 10.264 1.767 -16.199 319 H ILE 40 H ILE 40 9.028 -0.921 -15.069 320 HA ILE 40 HA ILE 40 9.494 -1.938 -12.283 321 HB ILE 40 HB ILE 40 8.280 -3.326 -14.696 322 1HG1 ILE 40 1HG1 ILE 40 6.999 -2.467 -12.083 323 2HG1 ILE 40 2HG1 ILE 40 6.848 -1.578 -13.599 324 1HG2 ILE 40 1HG2 ILE 40 8.728 -4.245 -11.841 325 2HG2 ILE 40 2HG2 ILE 40 7.766 -5.119 -13.033 326 3HG2 ILE 40 3HG2 ILE 40 9.498 -4.900 -13.286 327 1HD1 ILE 40 1HD1 ILE 40 5.854 -3.577 -14.665 328 2HD1 ILE 40 2HD1 ILE 40 5.982 -4.448 -13.136 329 3HD1 ILE 40 3HD1 ILE 40 4.907 -3.057 -13.270 330 H GLN 41 H GLN 41 11.544 -2.732 -12.010 331 HA GLN 41 HA GLN 41 13.042 -3.648 -14.445 332 1HB GLN 41 1HB GLN 41 13.730 -1.410 -13.622 333 2HB GLN 41 2HB GLN 41 14.045 -2.104 -12.030 334 1HG GLN 41 1HG GLN 41 16.154 -1.987 -13.200 335 2HG GLN 41 2HG GLN 41 15.676 -3.684 -13.133 336 1HE2 GLN 41 2HE2 GLN 41 15.549 -4.775 -15.114 337 2HE2 GLN 41 1HE2 GLN 41 15.559 -4.017 -16.632 338 H GLN 42 H GLN 42 12.013 -5.762 -13.501 339 HA GLN 42 HA GLN 42 12.993 -6.843 -11.013 340 1HB GLN 42 1HB GLN 42 10.958 -7.561 -12.264 341 2HB GLN 42 2HB GLN 42 11.995 -8.216 -13.531 342 1HG GLN 42 1HG GLN 42 13.049 -9.728 -11.879 343 2HG GLN 42 2HG GLN 42 11.982 -9.090 -10.626 344 1HE2 GLN 42 2HE2 GLN 42 11.993 -11.881 -11.472 345 2HE2 GLN 42 1HE2 GLN 42 10.475 -12.206 -12.159 346 H LYS 43 H LYS 43 14.479 -8.766 -10.906 347 HA LYS 43 HA LYS 43 16.354 -9.205 -13.120 348 1HB LYS 43 1HB LYS 43 16.915 -7.443 -10.762 349 2HB LYS 43 2HB LYS 43 18.232 -8.427 -11.400 350 1HG LYS 43 1HG LYS 43 17.607 -7.499 -13.706 351 2HG LYS 43 2HG LYS 43 16.619 -6.318 -12.844 352 1HD LYS 43 1HD LYS 43 18.637 -5.642 -11.537 353 2HD LYS 43 2HD LYS 43 19.604 -6.745 -12.518 354 1HE LYS 43 1HE LYS 43 18.425 -5.388 -14.514 355 2HE LYS 43 2HE LYS 43 18.388 -4.124 -13.269 356 1HZ LYS 43 1HZ LYS 43 20.745 -4.602 -12.821 357 2HZ LYS 43 2HZ LYS 43 20.762 -5.700 -14.117 358 3HZ LYS 43 3HZ LYS 43 20.496 -4.046 -14.404 359 H GLY 44 H GLY 44 14.706 -11.011 -11.718 360 1HA GLY 44 1HA GLY 44 15.575 -13.313 -11.198 361 2HA GLY 44 2HA GLY 44 16.717 -12.531 -10.103 362 H ASP 45 H ASP 45 16.047 -12.050 -8.025 363 HA ASP 45 HA ASP 45 13.236 -12.828 -7.333 364 1HB ASP 45 1HB ASP 45 15.919 -12.986 -5.976 365 2HB ASP 45 2HB ASP 45 14.446 -13.003 -5.006 366 H ASP 46 H ASP 46 15.201 -10.137 -7.740 367 HA ASP 46 HA ASP 46 13.943 -8.578 -5.534 368 1HB ASP 46 1HB ASP 46 16.385 -8.484 -5.885 369 2HB ASP 46 2HB ASP 46 16.128 -7.940 -7.543 370 H PHE 47 H PHE 47 12.732 -6.657 -6.017 371 HA PHE 47 HA PHE 47 11.916 -6.320 -8.882 372 1HB PHE 47 1HB PHE 47 10.376 -7.045 -6.471 373 2HB PHE 47 2HB PHE 47 9.654 -5.751 -7.427 374 HD1 PHE 47 HD1 PHE 47 11.339 -9.071 -7.933 375 HD2 PHE 47 HD2 PHE 47 8.264 -6.350 -9.196 376 HE1 PHE 47 HE1 PHE 47 10.545 -10.736 -9.591 377 HE2 PHE 47 HE2 PHE 47 7.470 -8.016 -10.853 378 HZ PHE 47 HZ PHE 47 8.611 -10.209 -11.051 379 H VAL 48 H VAL 48 12.019 -4.193 -9.515 380 HA VAL 48 HA VAL 48 12.135 -2.099 -7.366 381 HB VAL 48 HB VAL 48 13.509 -2.230 -10.071 382 1HG1 VAL 48 1HG1 VAL 48 13.290 -0.153 -7.933 383 2HG1 VAL 48 2HG1 VAL 48 14.844 -0.335 -8.746 384 3HG1 VAL 48 3HG1 VAL 48 13.399 0.044 -9.682 385 1HG2 VAL 48 1HG2 VAL 48 14.359 -3.852 -8.359 386 2HG2 VAL 48 2HG2 VAL 48 15.549 -2.626 -8.796 387 3HG2 VAL 48 3HG2 VAL 48 14.664 -2.493 -7.278 388 H VAL 49 H VAL 49 10.144 -1.091 -7.451 389 HA VAL 49 HA VAL 49 8.987 -0.487 -10.150 390 HB VAL 49 HB VAL 49 7.745 -0.709 -7.389 391 1HG1 VAL 49 1HG1 VAL 49 6.672 0.080 -10.081 392 2HG1 VAL 49 2HG1 VAL 49 5.627 -0.782 -8.952 393 3HG1 VAL 49 3HG1 VAL 49 6.324 0.772 -8.496 394 1HG2 VAL 49 1HG2 VAL 49 8.171 -2.582 -9.660 395 2HG2 VAL 49 2HG2 VAL 49 8.029 -2.921 -7.935 396 3HG2 VAL 49 3HG2 VAL 49 6.581 -2.631 -8.899 397 H THR 50 H THR 50 8.933 1.650 -10.737 398 HA THR 50 HA THR 50 9.254 3.711 -8.576 399 HB THR 50 HB THR 50 10.348 3.612 -11.407 400 HG1 THR 50 HG1 THR 50 11.760 3.697 -8.965 401 1HG2 THR 50 1HG2 THR 50 11.664 5.646 -10.243 402 2HG2 THR 50 2HG2 THR 50 10.163 5.882 -11.136 403 3HG2 THR 50 3HG2 THR 50 10.134 5.775 -9.376 404 H SER 51 H SER 51 7.128 4.461 -8.423 405 HA SER 51 HA SER 51 5.471 4.851 -10.819 406 1HB SER 51 1HB SER 51 5.105 5.556 -7.890 407 2HB SER 51 2HB SER 51 3.837 5.618 -9.111 408 HG SER 51 HG SER 51 3.584 3.621 -8.408 409 H LYS 52 H LYS 52 5.119 6.815 -11.842 410 HA LYS 52 HA LYS 52 6.331 9.264 -10.605 411 1HB LYS 52 1HB LYS 52 6.572 8.101 -13.385 412 2HB LYS 52 2HB LYS 52 6.920 9.800 -13.063 413 1HG LYS 52 1HG LYS 52 8.568 9.107 -11.330 414 2HG LYS 52 2HG LYS 52 8.261 7.420 -11.744 415 1HD LYS 52 1HD LYS 52 9.137 9.455 -13.803 416 2HD LYS 52 2HD LYS 52 10.289 8.498 -12.870 417 1HE LYS 52 1HE LYS 52 8.877 6.445 -13.667 418 2HE LYS 52 2HE LYS 52 8.290 7.558 -14.919 419 1HZ LYS 52 1HZ LYS 52 11.167 7.264 -14.276 420 2HZ LYS 52 2HZ LYS 52 10.404 6.314 -15.461 421 3HZ LYS 52 3HZ LYS 52 10.472 8.003 -15.634 422 H THR 53 H THR 53 4.662 10.681 -10.272 423 HA THR 53 HA THR 53 2.308 10.597 -12.111 424 HB THR 53 HB THR 53 2.013 12.333 -9.840 425 HG1 THR 53 HG1 THR 53 3.697 11.189 -8.904 426 1HG2 THR 53 1HG2 THR 53 0.853 9.600 -9.831 427 2HG2 THR 53 2HG2 THR 53 0.062 11.159 -9.605 428 3HG2 THR 53 3HG2 THR 53 0.472 10.606 -11.228 429 HA PRO 54 HA PRO 54 3.209 14.548 -13.789 430 1HB PRO 54 1HB PRO 54 0.763 15.775 -13.822 431 2HB PRO 54 2HB PRO 54 1.190 14.445 -14.915 432 1HG PRO 54 1HG PRO 54 -0.429 14.396 -12.422 433 2HG PRO 54 2HG PRO 54 -0.653 13.501 -13.931 434 1HD PRO 54 1HD PRO 54 0.434 12.418 -11.667 435 2HD PRO 54 2HD PRO 54 0.789 11.840 -13.311 436 H ARG 55 H ARG 55 1.480 14.491 -10.721 437 HA ARG 55 HA ARG 55 2.259 17.302 -10.132 438 1HB ARG 55 1HB ARG 55 -0.041 16.497 -9.701 439 2HB ARG 55 2HB ARG 55 0.598 15.252 -8.628 440 1HG ARG 55 1HG ARG 55 1.764 17.362 -7.480 441 2HG ARG 55 2HG ARG 55 0.389 18.201 -8.198 442 1HD ARG 55 1HD ARG 55 -0.450 15.710 -6.933 443 2HD ARG 55 2HD ARG 55 0.358 16.793 -5.781 444 HE ARG 55 HE ARG 55 -1.268 18.515 -7.172 445 1HH1 ARG 55 1HH1 ARG 55 -2.382 15.409 -6.945 446 2HH1 ARG 55 2HH1 ARG 55 -3.750 15.759 -5.941 447 1HH2 ARG 55 1HH2 ARG 55 -2.770 19.021 -5.290 448 2HH2 ARG 55 2HH2 ARG 55 -3.970 17.805 -5.004 449 H GLN 56 H GLN 56 3.122 14.003 -9.354 450 HA GLN 56 HA GLN 56 5.480 14.931 -7.865 451 1HB GLN 56 1HB GLN 56 4.808 13.797 -5.783 452 2HB GLN 56 2HB GLN 56 3.616 15.020 -6.222 453 1HG GLN 56 1HG GLN 56 3.121 12.354 -7.389 454 2HG GLN 56 2HG GLN 56 3.001 12.419 -5.630 455 1HE2 GLN 56 2HE2 GLN 56 0.964 12.459 -8.095 456 2HE2 GLN 56 1HE2 GLN 56 -0.151 13.641 -7.605 457 H THR 57 H THR 57 6.907 13.068 -7.319 458 HA THR 57 HA THR 57 6.255 10.598 -8.894 459 HB THR 57 HB THR 57 8.830 10.687 -9.320 460 HG1 THR 57 HG1 THR 57 9.689 12.732 -9.165 461 1HG2 THR 57 1HG2 THR 57 7.162 12.853 -10.610 462 2HG2 THR 57 2HG2 THR 57 8.473 11.923 -11.334 463 3HG2 THR 57 3HG2 THR 57 6.937 11.141 -10.966 464 H VAL 58 H VAL 58 6.443 8.772 -7.654 465 HA VAL 58 HA VAL 58 8.194 8.892 -5.218 466 HB VAL 58 HB VAL 58 5.493 7.559 -5.608 467 1HG1 VAL 58 1HG1 VAL 58 7.321 7.786 -3.199 468 2HG1 VAL 58 2HG1 VAL 58 5.659 7.202 -3.134 469 3HG1 VAL 58 3HG1 VAL 58 6.873 6.305 -4.045 470 1HG2 VAL 58 1HG2 VAL 58 5.599 10.118 -5.437 471 2HG2 VAL 58 2HG2 VAL 58 4.589 9.297 -4.247 472 3HG2 VAL 58 3HG2 VAL 58 6.192 9.876 -3.793 473 H THR 59 H THR 59 9.727 7.294 -5.216 474 HA THR 59 HA THR 59 9.340 4.968 -7.066 475 HB THR 59 HB THR 59 11.220 6.587 -7.467 476 HG1 THR 59 HG1 THR 59 12.024 4.004 -6.618 477 1HG2 THR 59 1HG2 THR 59 12.730 5.502 -5.163 478 2HG2 THR 59 2HG2 THR 59 12.745 7.123 -5.860 479 3HG2 THR 59 3HG2 THR 59 11.450 6.646 -4.762 480 H ASN 60 H ASN 60 9.521 2.888 -6.211 481 HA ASN 60 HA ASN 60 10.316 2.620 -3.338 482 1HB ASN 60 1HB ASN 60 7.847 1.483 -4.692 483 2HB ASN 60 2HB ASN 60 8.313 1.202 -3.014 484 1HD2 ASN 60 2HD2 ASN 60 9.147 3.796 -2.253 485 2HD2 ASN 60 1HD2 ASN 60 7.820 4.852 -2.328 486 H SER 61 H SER 61 11.687 0.894 -3.055 487 HA SER 61 HA SER 61 11.795 -1.177 -5.227 488 1HB SER 61 1HB SER 61 13.990 0.078 -3.551 489 2HB SER 61 2HB SER 61 14.241 -1.238 -4.692 490 HG SER 61 HG SER 61 13.533 1.445 -5.153 491 H PHE 62 H PHE 62 11.689 -3.297 -4.519 492 HA PHE 62 HA PHE 62 12.239 -3.921 -1.665 493 1HB PHE 62 1HB PHE 62 9.995 -4.992 -1.485 494 2HB PHE 62 2HB PHE 62 9.875 -3.258 -1.786 495 HD1 PHE 62 HD1 PHE 62 9.598 -6.616 -3.326 496 HD2 PHE 62 HD2 PHE 62 8.993 -2.397 -3.856 497 HE1 PHE 62 HE1 PHE 62 8.290 -7.063 -5.386 498 HE2 PHE 62 HE2 PHE 62 7.685 -2.843 -5.915 499 HZ PHE 62 HZ PHE 62 7.334 -5.176 -6.680 500 H THR 63 H THR 63 12.160 -6.358 -1.337 501 HA THR 63 HA THR 63 12.975 -7.767 -3.859 502 HB THR 63 HB THR 63 13.792 -8.247 -0.975 503 HG1 THR 63 HG1 THR 63 15.154 -6.997 -3.125 504 1HG2 THR 63 1HG2 THR 63 15.714 -9.396 -2.453 505 2HG2 THR 63 2HG2 THR 63 14.266 -10.270 -1.953 506 3HG2 THR 63 3HG2 THR 63 14.364 -9.581 -3.574 507 H LEU 64 H LEU 64 12.172 -9.904 -4.159 508 HA LEU 64 HA LEU 64 9.596 -10.480 -2.921 509 1HB LEU 64 1HB LEU 64 11.443 -11.845 -4.890 510 2HB LEU 64 2HB LEU 64 9.924 -12.583 -4.379 511 HG LEU 64 HG LEU 64 10.010 -9.751 -5.413 512 1HD1 LEU 64 1HD1 LEU 64 10.154 -12.329 -6.920 513 2HD1 LEU 64 2HD1 LEU 64 9.112 -11.059 -7.561 514 3HD1 LEU 64 3HD1 LEU 64 10.833 -10.752 -7.327 515 1HD2 LEU 64 1HD2 LEU 64 7.956 -11.851 -4.833 516 2HD2 LEU 64 2HD2 LEU 64 7.907 -10.118 -4.508 517 3HD2 LEU 64 3HD2 LEU 64 7.636 -10.715 -6.145 518 H GLY 65 H GLY 65 9.310 -11.636 -1.057 519 1HA GLY 65 1HA GLY 65 9.673 -13.496 0.417 520 2HA GLY 65 2HA GLY 65 11.238 -13.767 -0.353 521 H LYS 66 H LYS 66 10.665 -10.491 0.378 522 HA LYS 66 HA LYS 66 11.976 -10.693 3.049 523 1HB LYS 66 1HB LYS 66 12.993 -9.259 0.579 524 2HB LYS 66 2HB LYS 66 13.617 -8.941 2.199 525 1HG LYS 66 1HG LYS 66 14.156 -11.376 2.416 526 2HG LYS 66 2HG LYS 66 13.661 -11.597 0.737 527 1HD LYS 66 1HD LYS 66 15.371 -9.942 0.033 528 2HD LYS 66 2HD LYS 66 15.890 -9.785 1.710 529 1HE LYS 66 1HE LYS 66 15.799 -12.508 0.415 530 2HE LYS 66 2HE LYS 66 17.201 -11.446 0.181 531 1HZ LYS 66 1HZ LYS 66 17.230 -11.128 2.628 532 2HZ LYS 66 2HZ LYS 66 16.042 -12.335 2.767 533 3HZ LYS 66 3HZ LYS 66 17.573 -12.722 2.151 534 H GLU 67 H GLU 67 11.281 -9.062 4.429 535 HA GLU 67 HA GLU 67 9.031 -7.416 3.661 536 1HB GLU 67 1HB GLU 67 9.452 -8.355 5.920 537 2HB GLU 67 2HB GLU 67 10.877 -7.327 6.069 538 1HG GLU 67 1HG GLU 67 9.450 -5.322 5.817 539 2HG GLU 67 2HG GLU 67 8.027 -6.357 5.702 540 H ALA 68 H ALA 68 9.137 -5.465 2.623 541 HA ALA 68 HA ALA 68 11.651 -3.849 2.902 542 1HB ALA 68 1HB ALA 68 9.899 -4.478 0.514 543 2HB ALA 68 2HB ALA 68 11.079 -3.167 0.498 544 3HB ALA 68 3HB ALA 68 11.615 -4.833 0.717 545 H ASP 69 H ASP 69 11.329 -1.565 3.000 546 HA ASP 69 HA ASP 69 8.757 -0.704 4.075 547 1HB ASP 69 1HB ASP 69 11.268 0.804 3.270 548 2HB ASP 69 2HB ASP 69 9.969 1.447 4.276 549 H ILE 70 H ILE 70 7.150 0.413 2.983 550 HA ILE 70 HA ILE 70 7.707 1.218 0.146 551 HB ILE 70 HB ILE 70 5.345 -0.212 1.397 552 1HG1 ILE 70 1HG1 ILE 70 7.277 -1.614 0.760 553 2HG1 ILE 70 2HG1 ILE 70 5.901 -1.926 -0.298 554 1HG2 ILE 70 1HG2 ILE 70 4.692 1.616 -0.239 555 2HG2 ILE 70 2HG2 ILE 70 5.594 0.733 -1.470 556 3HG2 ILE 70 3HG2 ILE 70 4.190 -0.010 -0.704 557 1HD1 ILE 70 1HD1 ILE 70 7.249 0.188 -1.531 558 2HD1 ILE 70 2HD1 ILE 70 8.535 -0.879 -0.966 559 3HD1 ILE 70 3HD1 ILE 70 7.278 -1.502 -2.034 560 H THR 71 H THR 71 6.740 3.180 -0.498 561 HA THR 71 HA THR 71 5.294 4.695 1.656 562 HB THR 71 HB THR 71 6.406 6.666 0.316 563 HG1 THR 71 HG1 THR 71 8.139 6.091 -0.861 564 1HG2 THR 71 1HG2 THR 71 8.517 6.338 1.661 565 2HG2 THR 71 2HG2 THR 71 7.028 6.180 2.593 566 3HG2 THR 71 3HG2 THR 71 7.914 4.739 2.097 567 H THR 72 H THR 72 3.331 5.564 1.047 568 HA THR 72 HA THR 72 2.326 4.992 -1.667 569 HB THR 72 HB THR 72 0.198 5.619 -0.670 570 HG1 THR 72 HG1 THR 72 0.252 7.171 0.719 571 1HG2 THR 72 1HG2 THR 72 1.261 4.371 1.748 572 2HG2 THR 72 2HG2 THR 72 0.105 3.740 0.576 573 3HG2 THR 72 3HG2 THR 72 1.837 3.588 0.276 574 H MET 73 H MET 73 1.401 6.690 -3.022 575 HA MET 73 HA MET 73 3.014 9.073 -3.203 576 1HB MET 73 1HB MET 73 0.753 7.757 -4.572 577 2HB MET 73 2HB MET 73 0.775 9.514 -4.736 578 1HG MET 73 1HG MET 73 3.162 9.374 -5.462 579 2HG MET 73 2HG MET 73 3.041 7.615 -5.409 580 1HE MET 73 1HE MET 73 0.268 6.911 -6.309 581 2HE MET 73 2HE MET 73 0.446 6.716 -8.051 582 3HE MET 73 3HE MET 73 1.717 6.151 -6.959 583 H ASP 74 H ASP 74 0.217 8.292 -1.347 584 HA ASP 74 HA ASP 74 -0.805 11.035 -1.136 585 1HB ASP 74 1HB ASP 74 -2.315 9.149 -0.993 586 2HB ASP 74 2HB ASP 74 -1.351 8.415 0.290 587 H GLY 75 H GLY 75 1.529 9.038 0.518 588 1HA GLY 75 1HA GLY 75 3.195 10.313 1.896 589 2HA GLY 75 2HA GLY 75 1.824 11.182 2.586 590 H LYS 76 H LYS 76 1.365 7.818 1.979 591 HA LYS 76 HA LYS 76 1.269 7.326 4.910 592 1HB LYS 76 1HB LYS 76 -0.045 6.382 2.464 593 2HB LYS 76 2HB LYS 76 0.400 5.064 3.549 594 1HG LYS 76 1HG LYS 76 -0.672 6.405 5.428 595 2HG LYS 76 2HG LYS 76 -1.321 7.471 4.181 596 1HD LYS 76 1HD LYS 76 -2.300 5.395 3.082 597 2HD LYS 76 2HD LYS 76 -1.865 4.517 4.549 598 1HE LYS 76 1HE LYS 76 -3.170 6.353 5.822 599 2HE LYS 76 2HE LYS 76 -3.855 6.772 4.240 600 1HZ LYS 76 1HZ LYS 76 -3.792 4.011 5.328 601 2HZ LYS 76 2HZ LYS 76 -5.135 5.042 5.469 602 3HZ LYS 76 3HZ LYS 76 -4.599 4.545 3.935 603 H LYS 77 H LYS 77 2.698 5.919 5.917 604 HA LYS 77 HA LYS 77 4.781 4.636 4.182 605 1HB LYS 77 1HB LYS 77 4.819 5.661 7.040 606 2HB LYS 77 2HB LYS 77 6.179 4.854 6.257 607 1HG LYS 77 1HG LYS 77 6.207 6.605 4.509 608 2HG LYS 77 2HG LYS 77 4.864 7.419 5.312 609 1HD LYS 77 1HD LYS 77 6.237 7.719 7.333 610 2HD LYS 77 2HD LYS 77 7.579 6.883 6.552 611 1HE LYS 77 1HE LYS 77 7.525 8.646 4.739 612 2HE LYS 77 2HE LYS 77 6.350 9.534 5.729 613 1HZ LYS 77 1HZ LYS 77 7.935 9.359 7.600 614 2HZ LYS 77 2HZ LYS 77 9.082 8.691 6.539 615 3HZ LYS 77 3HZ LYS 77 8.539 10.282 6.308 616 H LEU 78 H LEU 78 4.957 2.419 4.308 617 HA LEU 78 HA LEU 78 4.103 0.940 6.699 618 1HB LEU 78 1HB LEU 78 2.336 -0.295 5.450 619 2HB LEU 78 2HB LEU 78 1.977 1.429 5.561 620 HG LEU 78 HG LEU 78 3.589 0.631 3.211 621 1HD1 LEU 78 1HD1 LEU 78 0.948 -0.573 3.830 622 2HD1 LEU 78 2HD1 LEU 78 1.124 0.099 2.208 623 3HD1 LEU 78 3HD1 LEU 78 2.230 -1.155 2.768 624 1HD2 LEU 78 1HD2 LEU 78 2.261 2.868 4.001 625 2HD2 LEU 78 2HD2 LEU 78 2.607 2.494 2.313 626 3HD2 LEU 78 3HD2 LEU 78 1.026 2.112 2.995 627 H LYS 79 H LYS 79 4.574 -1.408 6.439 628 HA LYS 79 HA LYS 79 6.760 -1.849 4.445 629 1HB LYS 79 1HB LYS 79 6.038 -3.327 6.997 630 2HB LYS 79 2HB LYS 79 7.516 -3.531 6.055 631 1HG LYS 79 1HG LYS 79 8.179 -1.230 6.517 632 2HG LYS 79 2HG LYS 79 6.659 -0.933 7.364 633 1HD LYS 79 1HD LYS 79 7.239 -2.608 9.054 634 2HD LYS 79 2HD LYS 79 8.731 -2.987 8.192 635 1HE LYS 79 1HE LYS 79 9.348 -1.464 9.954 636 2HE LYS 79 2HE LYS 79 9.337 -0.497 8.465 637 1HZ LYS 79 1HZ LYS 79 6.952 -0.823 10.199 638 2HZ LYS 79 2HZ LYS 79 8.042 0.469 10.373 639 3HZ LYS 79 3HZ LYS 79 7.171 0.284 8.929 640 H CYS 80 H CYS 80 6.657 -3.643 3.054 641 HA CYS 80 HA CYS 80 4.381 -5.538 3.321 642 1HB CYS 80 1HB CYS 80 4.680 -3.332 1.386 643 2HB CYS 80 2HB CYS 80 4.294 -4.886 0.648 644 HG CYS 80 HG CYS 80 2.375 -4.756 2.802 645 H THR 81 H THR 81 4.935 -7.573 2.537 646 HA THR 81 HA THR 81 7.669 -7.853 1.362 647 HB THR 81 HB THR 81 5.841 -9.946 2.574 648 HG1 THR 81 HG1 THR 81 6.200 -8.467 4.159 649 1HG2 THR 81 1HG2 THR 81 8.397 -10.703 3.090 650 2HG2 THR 81 2HG2 THR 81 7.502 -11.213 1.658 651 3HG2 THR 81 3HG2 THR 81 8.622 -9.854 1.561 652 H VAL 82 H VAL 82 7.127 -7.468 -0.866 653 HA VAL 82 HA VAL 82 4.930 -8.548 -2.291 654 HB VAL 82 HB VAL 82 7.759 -8.114 -3.295 655 1HG1 VAL 82 1HG1 VAL 82 5.021 -8.218 -4.525 656 2HG1 VAL 82 2HG1 VAL 82 6.261 -7.201 -5.259 657 3HG1 VAL 82 3HG1 VAL 82 6.526 -8.937 -5.097 658 1HG2 VAL 82 1HG2 VAL 82 5.760 -6.243 -2.188 659 2HG2 VAL 82 2HG2 VAL 82 7.497 -6.031 -2.408 660 3HG2 VAL 82 3HG2 VAL 82 6.398 -5.777 -3.764 661 H HIS 83 H HIS 83 4.770 -10.463 -3.607 662 HA HIS 83 HA HIS 83 6.876 -12.540 -3.263 663 1HB HIS 83 1HB HIS 83 4.441 -12.352 -1.781 664 2HB HIS 83 2HB HIS 83 4.296 -13.730 -2.874 665 HD1 HIS 83 HD1 HIS 83 6.518 -12.374 -0.123 666 HD2 HIS 83 HD2 HIS 83 5.903 -15.931 -2.208 667 HE1 HIS 83 HE1 HIS 83 7.900 -14.141 1.052 668 H LEU 84 H LEU 84 6.866 -14.068 -4.975 669 HA LEU 84 HA LEU 84 5.123 -13.345 -7.291 670 1HB LEU 84 1HB LEU 84 7.870 -14.313 -6.831 671 2HB LEU 84 2HB LEU 84 7.047 -15.105 -8.174 672 HG LEU 84 HG LEU 84 7.261 -12.103 -7.805 673 1HD1 LEU 84 1HD1 LEU 84 9.406 -13.383 -8.368 674 2HD1 LEU 84 2HD1 LEU 84 8.626 -13.818 -9.889 675 3HD1 LEU 84 3HD1 LEU 84 8.932 -12.123 -9.508 676 1HD2 LEU 84 1HD2 LEU 84 5.840 -13.908 -9.703 677 2HD2 LEU 84 2HD2 LEU 84 5.393 -12.299 -9.135 678 3HD2 LEU 84 3HD2 LEU 84 6.615 -12.482 -10.393 679 H ALA 85 H ALA 85 3.230 -14.566 -6.908 680 HA ALA 85 HA ALA 85 3.581 -17.513 -6.499 681 1HB ALA 85 1HB ALA 85 1.567 -15.437 -5.732 682 2HB ALA 85 2HB ALA 85 0.993 -17.086 -5.981 683 3HB ALA 85 3HB ALA 85 2.232 -16.757 -4.770 684 H ASN 86 H ASN 86 2.788 -18.906 -8.069 685 HA ASN 86 HA ASN 86 2.106 -19.513 -10.263 686 1HB ASN 86 1HB ASN 86 -0.080 -17.587 -9.407 687 2HB ASN 86 2HB ASN 86 -0.245 -18.874 -10.602 688 1HD2 ASN 86 2HD2 ASN 86 0.218 -21.162 -9.730 689 2HD2 ASN 86 1HD2 ASN 86 -0.227 -21.495 -8.126 690 H GLY 87 H GLY 87 3.970 -17.291 -10.241 691 1HA GLY 87 1HA GLY 87 4.780 -15.660 -11.721 692 2HA GLY 87 2HA GLY 87 3.635 -16.305 -12.898 693 H LYS 88 H LYS 88 3.225 -14.611 -9.768 694 HA LYS 88 HA LYS 88 2.015 -12.287 -11.097 695 1HB LYS 88 1HB LYS 88 0.483 -14.595 -10.266 696 2HB LYS 88 2HB LYS 88 -0.009 -13.181 -9.334 697 1HG LYS 88 1HG LYS 88 0.210 -12.131 -11.861 698 2HG LYS 88 2HG LYS 88 -0.378 -13.760 -12.198 699 1HD LYS 88 1HD LYS 88 -1.943 -13.031 -10.061 700 2HD LYS 88 2HD LYS 88 -1.757 -11.497 -10.912 701 1HE LYS 88 1HE LYS 88 -2.871 -12.256 -12.805 702 2HE LYS 88 2HE LYS 88 -2.406 -13.946 -12.524 703 1HZ LYS 88 1HZ LYS 88 -3.818 -13.949 -10.544 704 2HZ LYS 88 2HZ LYS 88 -4.309 -12.358 -10.881 705 3HZ LYS 88 3HZ LYS 88 -4.721 -13.620 -11.942 706 H LEU 89 H LEU 89 2.995 -10.718 -9.864 707 HA LEU 89 HA LEU 89 3.975 -11.017 -7.214 708 1HB LEU 89 1HB LEU 89 4.441 -9.248 -9.017 709 2HB LEU 89 2HB LEU 89 2.961 -8.457 -8.471 710 HG LEU 89 HG LEU 89 4.784 -9.221 -6.288 711 1HD1 LEU 89 1HD1 LEU 89 5.694 -7.544 -8.580 712 2HD1 LEU 89 2HD1 LEU 89 6.072 -6.962 -6.959 713 3HD1 LEU 89 3HD1 LEU 89 6.637 -8.550 -7.479 714 1HD2 LEU 89 1HD2 LEU 89 3.348 -6.682 -7.128 715 2HD2 LEU 89 2HD2 LEU 89 2.812 -7.841 -5.911 716 3HD2 LEU 89 3HD2 LEU 89 4.250 -6.861 -5.623 717 H VAL 90 H VAL 90 3.043 -10.563 -5.190 718 HA VAL 90 HA VAL 90 0.265 -9.527 -5.070 719 HB VAL 90 HB VAL 90 1.128 -12.236 -4.003 720 1HG1 VAL 90 1HG1 VAL 90 -1.323 -10.550 -3.721 721 2HG1 VAL 90 2HG1 VAL 90 -1.540 -12.293 -3.881 722 3HG1 VAL 90 3HG1 VAL 90 -0.573 -11.642 -2.558 723 1HG2 VAL 90 1HG2 VAL 90 -0.030 -11.336 -6.558 724 2HG2 VAL 90 2HG2 VAL 90 0.773 -12.855 -6.163 725 3HG2 VAL 90 3HG2 VAL 90 -0.936 -12.635 -5.785 726 H THR 91 H THR 91 0.498 -7.935 -3.541 727 HA THR 91 HA THR 91 2.302 -8.454 -1.206 728 HB THR 91 HB THR 91 1.214 -5.885 -2.405 729 HG1 THR 91 HG1 THR 91 3.750 -7.146 -2.544 730 1HG2 THR 91 1HG2 THR 91 3.244 -5.025 -0.970 731 2HG2 THR 91 2HG2 THR 91 1.687 -5.319 -0.196 732 3HG2 THR 91 3HG2 THR 91 2.978 -6.513 -0.060 733 H LYS 92 H LYS 92 0.764 -9.539 0.145 734 HA LYS 92 HA LYS 92 -1.834 -8.225 0.692 735 1HB LYS 92 1HB LYS 92 -2.211 -10.294 1.992 736 2HB LYS 92 2HB LYS 92 -1.615 -10.675 0.376 737 1HG LYS 92 1HG LYS 92 0.684 -10.871 1.285 738 2HG LYS 92 2HG LYS 92 0.058 -10.546 2.902 739 1HD LYS 92 1HD LYS 92 -1.451 -12.541 2.643 740 2HD LYS 92 2HD LYS 92 -0.628 -12.905 1.126 741 1HE LYS 92 1HE LYS 92 1.453 -13.311 2.232 742 2HE LYS 92 2HE LYS 92 0.871 -12.583 3.743 743 1HZ LYS 92 1HZ LYS 92 -0.894 -14.296 3.777 744 2HZ LYS 92 2HZ LYS 92 -0.157 -15.049 2.445 745 3HZ LYS 92 3HZ LYS 92 0.667 -14.950 3.924 746 H SER 93 H SER 93 -2.443 -7.895 3.032 747 HA SER 93 HA SER 93 -0.219 -7.535 4.944 748 1HB SER 93 1HB SER 93 -1.591 -5.367 3.422 749 2HB SER 93 2HB SER 93 -1.246 -5.053 5.120 750 HG SER 93 HG SER 93 0.642 -4.542 4.294 751 H GLU 94 H GLU 94 -1.661 -5.792 6.683 752 HA GLU 94 HA GLU 94 -3.887 -7.611 7.519 753 1HB GLU 94 1HB GLU 94 -1.877 -7.279 8.989 754 2HB GLU 94 2HB GLU 94 -2.289 -5.567 9.095 755 1HG GLU 94 1HG GLU 94 -4.521 -6.201 10.015 756 2HG GLU 94 2HG GLU 94 -4.011 -7.890 10.008 757 H LYS 95 H LYS 95 -4.078 -5.349 5.528 758 HA LYS 95 HA LYS 95 -6.520 -4.148 6.543 759 1HB LYS 95 1HB LYS 95 -5.591 -1.829 6.643 760 2HB LYS 95 2HB LYS 95 -4.863 -2.897 7.844 761 1HG LYS 95 1HG LYS 95 -2.813 -2.785 6.874 762 2HG LYS 95 2HG LYS 95 -3.480 -2.907 5.245 763 1HD LYS 95 1HD LYS 95 -2.533 -0.722 5.380 764 2HD LYS 95 2HD LYS 95 -4.275 -0.492 5.545 765 1HE LYS 95 1HE LYS 95 -4.059 -0.358 7.989 766 2HE LYS 95 2HE LYS 95 -2.314 -0.659 7.864 767 1HZ LYS 95 1HZ LYS 95 -2.226 1.281 6.319 768 2HZ LYS 95 2HZ LYS 95 -3.834 1.632 6.743 769 3HZ LYS 95 3HZ LYS 95 -2.610 1.685 7.920 770 H PHE 96 H PHE 96 -4.510 -5.081 4.089 771 HA PHE 96 HA PHE 96 -6.266 -4.208 1.989 772 1HB PHE 96 1HB PHE 96 -4.894 -2.442 1.027 773 2HB PHE 96 2HB PHE 96 -5.206 -2.045 2.718 774 HD1 PHE 96 HD1 PHE 96 -2.768 -4.280 0.932 775 HD2 PHE 96 HD2 PHE 96 -3.356 -1.103 3.763 776 HE1 PHE 96 HE1 PHE 96 -0.328 -4.222 1.373 777 HE2 PHE 96 HE2 PHE 96 -0.916 -1.045 4.203 778 HZ PHE 96 HZ PHE 96 0.597 -2.604 3.008 779 H SER 97 H SER 97 -5.673 -5.193 -0.002 780 HA SER 97 HA SER 97 -3.161 -6.836 0.075 781 1HB SER 97 1HB SER 97 -5.777 -7.689 0.135 782 2HB SER 97 2HB SER 97 -5.420 -7.750 -1.589 783 HG SER 97 HG SER 97 -4.833 -9.689 -0.547 784 H HIS 98 H HIS 98 -2.191 -7.222 -2.056 785 HA HIS 98 HA HIS 98 -3.118 -5.390 -4.229 786 1HB HIS 98 1HB HIS 98 -1.356 -4.341 -2.772 787 2HB HIS 98 2HB HIS 98 -0.269 -5.657 -3.216 788 HD2 HIS 98 HD2 HIS 98 -1.444 -2.262 -4.641 789 HE1 HIS 98 HE1 HIS 98 0.600 -4.237 -7.778 790 HE2 HIS 98 HE2 HIS 98 -0.411 -2.061 -7.010 791 H GLU 99 H GLU 99 -2.884 -6.309 -6.265 792 HA GLU 99 HA GLU 99 -1.047 -8.601 -6.656 793 1HB GLU 99 1HB GLU 99 -4.061 -8.690 -6.645 794 2HB GLU 99 2HB GLU 99 -3.139 -9.839 -7.615 795 1HG GLU 99 1HG GLU 99 -1.912 -10.574 -5.619 796 2HG GLU 99 2HG GLU 99 -2.784 -9.397 -4.636 797 H GLN 100 H GLN 100 -0.132 -8.319 -8.650 798 HA GLN 100 HA GLN 100 -1.768 -7.019 -10.798 799 1HB GLN 100 1HB GLN 100 -0.288 -5.360 -9.804 800 2HB GLN 100 2HB GLN 100 1.087 -6.457 -9.935 801 1HG GLN 100 1HG GLN 100 0.795 -6.456 -12.418 802 2HG GLN 100 2HG GLN 100 -0.483 -5.254 -12.234 803 1HE2 GLN 100 2HE2 GLN 100 0.472 -3.330 -12.979 804 2HE2 GLN 100 1HE2 GLN 100 1.952 -2.717 -12.417 805 H GLU 101 H GLU 101 -1.102 -7.643 -12.969 806 HA GLU 101 HA GLU 101 0.901 -9.826 -13.204 807 1HB GLU 101 1HB GLU 101 -1.289 -10.845 -12.606 808 2HB GLU 101 2HB GLU 101 -2.016 -10.068 -14.014 809 1HG GLU 101 1HG GLU 101 -0.505 -11.294 -15.505 810 2HG GLU 101 2HG GLU 101 0.287 -12.037 -14.115 811 H VAL 102 H VAL 102 1.326 -10.322 -15.539 812 HA VAL 102 HA VAL 102 0.581 -8.036 -17.338 813 HB VAL 102 HB VAL 102 2.904 -7.960 -16.401 814 1HG1 VAL 102 1HG1 VAL 102 2.796 -10.726 -16.911 815 2HG1 VAL 102 2HG1 VAL 102 3.969 -10.084 -18.060 816 3HG1 VAL 102 3HG1 VAL 102 4.187 -9.812 -16.330 817 1HG2 VAL 102 1HG2 VAL 102 2.232 -7.153 -18.749 818 2HG2 VAL 102 2HG2 VAL 102 3.951 -7.442 -18.476 819 3HG2 VAL 102 3HG2 VAL 102 2.983 -8.632 -19.347 820 H LYS 103 H LYS 103 -0.330 -8.717 -19.242 821 HA LYS 103 HA LYS 103 0.159 -11.549 -20.107 822 1HB LYS 103 1HB LYS 103 -2.252 -11.412 -20.901 823 2HB LYS 103 2HB LYS 103 -2.048 -11.361 -19.150 824 1HG LYS 103 1HG LYS 103 -2.541 -9.087 -19.021 825 2HG LYS 103 2HG LYS 103 -2.080 -8.789 -20.697 826 1HD LYS 103 1HD LYS 103 -4.068 -10.148 -21.417 827 2HD LYS 103 2HD LYS 103 -4.562 -10.232 -19.725 828 1HE LYS 103 1HE LYS 103 -4.751 -7.796 -19.611 829 2HE LYS 103 2HE LYS 103 -4.145 -7.648 -21.274 830 1HZ LYS 103 1HZ LYS 103 -5.981 -9.063 -22.011 831 2HZ LYS 103 2HZ LYS 103 -6.588 -9.113 -20.424 832 3HZ LYS 103 3HZ LYS 103 -6.554 -7.643 -21.271 833 H GLY 104 H GLY 104 1.677 -10.994 -21.742 834 1HA GLY 104 1HA GLY 104 2.148 -10.513 -24.013 835 2HA GLY 104 2HA GLY 104 0.519 -9.854 -24.178 836 H ASN 105 H ASN 105 0.364 -7.666 -24.315 837 HA ASN 105 HA ASN 105 2.737 -6.048 -23.446 838 1HB ASN 105 1HB ASN 105 2.065 -4.532 -25.265 839 2HB ASN 105 2HB ASN 105 2.251 -6.173 -25.886 840 1HD2 ASN 105 2HD2 ASN 105 0.589 -4.316 -27.256 841 2HD2 ASN 105 1HD2 ASN 105 -1.028 -4.806 -27.098 842 H GLU 106 H GLU 106 -0.055 -6.887 -22.166 843 HA GLU 106 HA GLU 106 -0.824 -4.103 -21.347 844 1HB GLU 106 1HB GLU 106 -2.478 -6.646 -21.492 845 2HB GLU 106 2HB GLU 106 -3.084 -5.046 -21.065 846 1HG GLU 106 1HG GLU 106 -2.073 -4.323 -23.365 847 2HG GLU 106 2HG GLU 106 -2.121 -6.047 -23.734 848 H MET 107 H MET 107 -1.483 -3.888 -19.079 849 HA MET 107 HA MET 107 -0.518 -6.100 -17.300 850 1HB MET 107 1HB MET 107 1.192 -4.357 -17.513 851 2HB MET 107 2HB MET 107 0.004 -3.114 -17.119 852 1HG MET 107 1HG MET 107 -0.114 -3.746 -14.880 853 2HG MET 107 2HG MET 107 0.426 -5.392 -15.211 854 1HE MET 107 1HE MET 107 2.628 -5.599 -16.700 855 2HE MET 107 2HE MET 107 4.130 -5.136 -15.904 856 3HE MET 107 3HE MET 107 2.960 -6.163 -15.064 857 H VAL 108 H VAL 108 -1.818 -6.439 -15.486 858 HA VAL 108 HA VAL 108 -4.100 -4.533 -15.073 859 HB VAL 108 HB VAL 108 -4.049 -7.567 -14.960 860 1HG1 VAL 108 1HG1 VAL 108 -6.184 -5.508 -14.387 861 2HG1 VAL 108 2HG1 VAL 108 -6.595 -7.161 -14.846 862 3HG1 VAL 108 3HG1 VAL 108 -5.667 -6.858 -13.377 863 1HG2 VAL 108 1HG2 VAL 108 -3.943 -6.466 -17.246 864 2HG2 VAL 108 2HG2 VAL 108 -5.351 -7.494 -16.985 865 3HG2 VAL 108 3HG2 VAL 108 -5.510 -5.740 -16.887 866 H GLU 109 H GLU 109 -4.349 -3.886 -12.955 867 HA GLU 109 HA GLU 109 -2.754 -5.340 -10.869 868 1HB GLU 109 1HB GLU 109 -3.476 -2.427 -11.288 869 2HB GLU 109 2HB GLU 109 -2.780 -3.027 -9.783 870 1HG GLU 109 1HG GLU 109 -0.775 -3.738 -10.883 871 2HG GLU 109 2HG GLU 109 -1.490 -3.497 -12.479 872 H THR 110 H THR 110 -4.018 -6.327 -9.347 873 HA THR 110 HA THR 110 -6.818 -5.321 -8.960 874 HB THR 110 HB THR 110 -5.603 -8.062 -8.481 875 HG1 THR 110 HG1 THR 110 -6.372 -8.582 -10.427 876 1HG2 THR 110 1HG2 THR 110 -8.049 -8.718 -8.451 877 2HG2 THR 110 2HG2 THR 110 -7.524 -7.751 -7.072 878 3HG2 THR 110 3HG2 THR 110 -8.434 -6.999 -8.382 879 H ILE 111 H ILE 111 -7.141 -4.342 -7.003 880 HA ILE 111 HA ILE 111 -5.503 -5.262 -4.666 881 HB ILE 111 HB ILE 111 -6.250 -2.435 -5.488 882 1HG1 ILE 111 1HG1 ILE 111 -3.541 -3.799 -5.365 883 2HG1 ILE 111 2HG1 ILE 111 -4.454 -3.529 -6.850 884 1HG2 ILE 111 1HG2 ILE 111 -6.131 -2.953 -2.991 885 2HG2 ILE 111 2HG2 ILE 111 -4.423 -3.318 -3.242 886 3HG2 ILE 111 3HG2 ILE 111 -5.035 -1.694 -3.563 887 1HD1 ILE 111 1HD1 ILE 111 -4.455 -1.079 -6.351 888 2HD1 ILE 111 2HD1 ILE 111 -3.423 -1.398 -4.956 889 3HD1 ILE 111 3HD1 ILE 111 -2.832 -1.731 -6.584 890 H THR 112 H THR 112 -6.751 -5.702 -2.876 891 HA THR 112 HA THR 112 -9.638 -4.910 -2.972 892 HB THR 112 HB THR 112 -9.880 -6.867 -1.432 893 HG1 THR 112 HG1 THR 112 -8.165 -7.834 -0.680 894 1HG2 THR 112 1HG2 THR 112 -9.092 -8.600 -3.151 895 2HG2 THR 112 2HG2 THR 112 -10.206 -7.363 -3.732 896 3HG2 THR 112 3HG2 THR 112 -8.484 -7.232 -4.084 897 H PHE 113 H PHE 113 -10.444 -3.631 -1.324 898 HA PHE 113 HA PHE 113 -8.997 -3.377 1.237 899 1HB PHE 113 1HB PHE 113 -7.921 -1.873 -0.531 900 2HB PHE 113 2HB PHE 113 -9.430 -0.958 -0.535 901 HD1 PHE 113 HD1 PHE 113 -10.326 -0.239 1.842 902 HD2 PHE 113 HD2 PHE 113 -6.248 -1.287 0.991 903 HE1 PHE 113 HE1 PHE 113 -9.587 0.992 3.866 904 HE2 PHE 113 HE2 PHE 113 -5.510 -0.056 3.014 905 HZ PHE 113 HZ PHE 113 -7.179 1.083 4.451 906 H GLY 114 H GLY 114 -10.585 -3.251 2.771 907 1HA GLY 114 1HA GLY 114 -12.612 -2.681 3.811 908 2HA GLY 114 2HA GLY 114 -12.807 -1.430 2.584 909 H GLY 115 H GLY 115 -12.461 -4.913 2.009 910 1HA GLY 115 1HA GLY 115 -13.980 -6.461 1.099 911 2HA GLY 115 2HA GLY 115 -15.283 -5.375 1.583 912 H VAL 116 H VAL 116 -13.119 -3.571 -0.167 913 HA VAL 116 HA VAL 116 -14.785 -3.858 -2.634 914 HB VAL 116 HB VAL 116 -12.971 -1.636 -1.637 915 1HG1 VAL 116 1HG1 VAL 116 -13.295 -1.754 -4.122 916 2HG1 VAL 116 2HG1 VAL 116 -15.033 -1.625 -3.860 917 3HG1 VAL 116 3HG1 VAL 116 -13.972 -0.294 -3.400 918 1HG2 VAL 116 1HG2 VAL 116 -15.927 -2.179 -1.406 919 2HG2 VAL 116 2HG2 VAL 116 -14.797 -1.667 -0.151 920 3HG2 VAL 116 3HG2 VAL 116 -15.316 -0.524 -1.389 921 H THR 117 H THR 117 -13.748 -4.122 -4.661 922 HA THR 117 HA THR 117 -10.809 -4.730 -4.541 923 HB THR 117 HB THR 117 -13.014 -5.996 -6.203 924 HG1 THR 117 HG1 THR 117 -13.156 -7.392 -4.647 925 1HG2 THR 117 1HG2 THR 117 -11.138 -7.708 -6.592 926 2HG2 THR 117 2HG2 THR 117 -10.999 -6.170 -7.445 927 3HG2 THR 117 3HG2 THR 117 -10.039 -6.464 -5.996 928 H LEU 118 H LEU 118 -9.603 -3.467 -5.904 929 HA LEU 118 HA LEU 118 -11.031 -1.904 -8.016 930 1HB LEU 118 1HB LEU 118 -9.820 -0.675 -6.252 931 2HB LEU 118 2HB LEU 118 -8.342 -1.549 -6.651 932 HG LEU 118 HG LEU 118 -8.416 -0.611 -8.941 933 1HD1 LEU 118 1HD1 LEU 118 -10.892 -0.333 -9.026 934 2HD1 LEU 118 2HD1 LEU 118 -10.756 1.006 -7.886 935 3HD1 LEU 118 3HD1 LEU 118 -10.035 1.137 -9.490 936 1HD2 LEU 118 1HD2 LEU 118 -7.484 0.597 -6.745 937 2HD2 LEU 118 2HD2 LEU 118 -7.445 1.394 -8.318 938 3HD2 LEU 118 3HD2 LEU 118 -8.726 1.776 -7.168 939 H ILE 119 H ILE 119 -10.082 -1.808 -10.146 940 HA ILE 119 HA ILE 119 -8.018 -3.905 -10.722 941 HB ILE 119 HB ILE 119 -10.597 -3.279 -12.194 942 1HG1 ILE 119 1HG1 ILE 119 -9.693 -5.793 -10.753 943 2HG1 ILE 119 2HG1 ILE 119 -10.800 -4.600 -10.072 944 1HG2 ILE 119 1HG2 ILE 119 -8.219 -5.002 -12.856 945 2HG2 ILE 119 2HG2 ILE 119 -9.823 -5.443 -13.442 946 3HG2 ILE 119 3HG2 ILE 119 -9.110 -3.896 -13.901 947 1HD1 ILE 119 1HD1 ILE 119 -12.106 -4.985 -12.342 948 2HD1 ILE 119 2HD1 ILE 119 -11.241 -6.521 -12.329 949 3HD1 ILE 119 3HD1 ILE 119 -12.313 -6.102 -10.993 950 H ARG 120 H ARG 120 -6.312 -2.469 -11.161 951 HA ARG 120 HA ARG 120 -6.821 -0.248 -13.094 952 1HB ARG 120 1HB ARG 120 -5.782 0.170 -10.845 953 2HB ARG 120 2HB ARG 120 -4.428 -0.851 -11.329 954 1HG ARG 120 1HG ARG 120 -3.856 0.643 -13.140 955 2HG ARG 120 2HG ARG 120 -5.319 1.595 -12.878 956 1HD ARG 120 1HD ARG 120 -4.333 2.807 -11.232 957 2HD ARG 120 2HD ARG 120 -3.708 1.346 -10.442 958 HE ARG 120 HE ARG 120 -2.356 2.074 -12.953 959 1HH1 ARG 120 1HH1 ARG 120 -2.243 4.031 -10.442 960 2HH1 ARG 120 2HH1 ARG 120 -0.668 3.612 -9.856 961 1HH2 ARG 120 1HH2 ARG 120 -0.409 0.755 -11.804 962 2HH2 ARG 120 2HH2 ARG 120 0.370 1.758 -10.626 963 H ARG 121 H ARG 121 -6.240 -0.642 -15.191 964 HA ARG 121 HA ARG 121 -4.287 -2.833 -15.752 965 1HB ARG 121 1HB ARG 121 -5.346 -2.277 -18.134 966 2HB ARG 121 2HB ARG 121 -6.231 -3.248 -16.957 967 1HG ARG 121 1HG ARG 121 -7.506 -1.339 -16.226 968 2HG ARG 121 2HG ARG 121 -6.499 -0.239 -17.169 969 1HD ARG 121 1HD ARG 121 -7.399 -0.986 -19.227 970 2HD ARG 121 2HD ARG 121 -8.038 -2.476 -18.504 971 HE ARG 121 HE ARG 121 -9.103 -0.019 -17.308 972 1HH1 ARG 121 1HH1 ARG 121 -10.109 -2.977 -18.115 973 2HH1 ARG 121 2HH1 ARG 121 -11.495 -2.516 -19.045 974 1HH2 ARG 121 1HH2 ARG 121 -10.595 0.829 -19.215 975 2HH2 ARG 121 2HH2 ARG 121 -11.770 -0.361 -19.668 976 H SER 122 H SER 122 -2.395 -2.388 -16.914 977 HA SER 122 HA SER 122 -1.932 0.468 -17.710 978 1HB SER 122 1HB SER 122 -0.878 -0.656 -15.518 979 2HB SER 122 2HB SER 122 0.292 -1.249 -16.691 980 HG SER 122 HG SER 122 -0.097 1.267 -15.703 981 H LYS 123 H LYS 123 -0.654 0.732 -19.601 982 HA LYS 123 HA LYS 123 -0.278 -1.760 -21.215 983 1HB LYS 123 1HB LYS 123 -0.625 -0.350 -23.101 984 2HB LYS 123 2HB LYS 123 -1.772 0.236 -21.895 985 1HG LYS 123 1HG LYS 123 0.032 1.898 -21.184 986 2HG LYS 123 2HG LYS 123 0.895 1.441 -22.652 987 1HD LYS 123 1HD LYS 123 -1.753 1.902 -23.473 988 2HD LYS 123 2HD LYS 123 -1.379 3.214 -22.354 989 1HE LYS 123 1HE LYS 123 0.685 2.489 -24.405 990 2HE LYS 123 2HE LYS 123 -0.727 3.434 -24.919 991 1HZ LYS 123 1HZ LYS 123 -0.302 4.838 -22.885 992 2HZ LYS 123 2HZ LYS 123 1.213 4.078 -22.773 993 3HZ LYS 123 3HZ LYS 123 0.829 5.003 -24.141 994 H ARG 124 H ARG 124 1.743 -2.100 -22.273 995 HA ARG 124 HA ARG 124 4.070 -0.917 -20.930 996 1HB ARG 124 1HB ARG 124 3.802 -3.328 -21.577 997 2HB ARG 124 2HB ARG 124 3.859 -2.839 -23.270 998 1HG ARG 124 1HG ARG 124 6.099 -1.843 -22.894 999 2HG ARG 124 2HG ARG 124 6.047 -2.390 -21.218 1000 1HD ARG 124 1HD ARG 124 5.867 -4.738 -21.986 1001 2HD ARG 124 2HD ARG 124 5.948 -4.184 -23.670 1002 HE ARG 124 HE ARG 124 8.130 -3.093 -22.118 1003 1HH1 ARG 124 1HH1 ARG 124 8.435 -4.063 -24.914 1004 2HH1 ARG 124 2HH1 ARG 124 9.357 -5.515 -24.708 1005 1HH2 ARG 124 1HH2 ARG 124 8.690 -5.772 -21.315 1006 2HH2 ARG 124 2HH2 ARG 124 9.502 -6.483 -22.670 1007 H VAL 125 HN VAL 125 5.479 0.591 -21.834 1008 HA VAL 125 HA VAL 125 4.828 1.570 -24.597 1009 HB VAL 125 HB VAL 125 4.085 3.074 -22.778 1010 1HG1 VAL 125 1HG1 VAL 125 7.006 2.916 -21.986 1011 2HG1 VAL 125 2HG1 VAL 125 5.899 4.147 -21.377 1012 3HG1 VAL 125 3HG1 VAL 125 5.610 2.444 -21.017 1013 1HG2 VAL 125 1HG2 VAL 125 4.980 4.000 -24.933 1014 2HG2 VAL 125 2HG2 VAL 125 5.199 5.091 -23.565 1015 3HG2 VAL 125 3HG2 VAL 125 6.562 4.146 -24.166 1016 1H1 JN3 130 1H1 JN3 130 -3.931 1.281 -7.020 1017 2H1 JN3 130 2H1 JN3 130 -3.537 2.765 -7.952 1018 1H2 JN3 130 1H2 JN3 130 -1.259 2.657 -7.186 1019 2H2 JN3 130 2H2 JN3 130 -1.751 1.136 -8.027 1020 H3 JN3 130 H3 JN3 130 -2.185 0.020 -5.761 1021 HO3 JN3 130 HO3 JN3 130 0.264 0.847 -4.911 1022 1H4 JN3 130 1H4 JN3 130 -1.231 2.664 -4.568 1023 2H4 JN3 130 2H4 JN3 130 -1.651 1.206 -3.648 1024 H5 JN3 130 H5 JN3 130 -4.070 1.360 -4.587 1025 1H6 JN3 130 1H6 JN3 130 -3.593 2.482 -2.389 1026 2H6 JN3 130 2H6 JN3 130 -4.837 3.300 -3.319 1027 H7 JN3 130 H7 JN3 130 -3.221 4.906 -2.306 1028 HO7 JN3 130 HO7 JN3 130 -1.168 4.337 -2.304 1029 H8 JN3 130 H8 JN3 130 -4.360 5.512 -4.404 1030 H9 JN3 130 H9 JN3 130 -1.779 4.290 -5.777 1031 1H11 JN3 130 1H11 JN3 130 -4.232 5.662 -7.058 1032 2H11 JN3 130 2H11 JN3 130 -2.935 4.886 -7.969 1033 1H12 JN3 130 1H12 JN3 130 -2.511 7.325 -7.883 1034 2H12 JN3 130 2H12 JN3 130 -1.277 6.515 -6.916 1035 H14 JN3 130 H14 JN3 130 -1.389 6.492 -4.394 1036 1H15 JN3 130 1H15 JN3 130 -2.237 7.346 -2.345 1037 2H15 JN3 130 2H15 JN3 130 -3.829 7.670 -3.024 1038 1H16 JN3 130 1H16 JN3 130 -1.372 9.284 -3.224 1039 2H16 JN3 130 2H16 JN3 130 -3.055 9.730 -3.688 1040 H17 JN3 130 H17 JN3 130 -0.828 8.570 -5.466 1041 1H18 JN3 130 1H18 JN3 130 -4.640 8.566 -4.901 1042 2H18 JN3 130 2H18 JN3 130 -4.607 8.530 -6.680 1043 3H18 JN3 130 3H18 JN3 130 -4.966 7.045 -5.767 1044 1H19 JN3 130 1H19 JN3 130 -5.544 3.909 -5.116 1045 2H19 JN3 130 2H19 JN3 130 -5.454 3.821 -6.891 1046 3H19 JN3 130 3H19 JN3 130 -5.769 2.348 -5.942 1047 H20 JN3 130 H20 JN3 130 -2.985 10.612 -5.991 1048 1H21 JN3 130 1H21 JN3 130 -2.097 11.049 -8.147 1049 2H21 JN3 130 2H21 JN3 130 -1.048 9.616 -8.025 1050 3H21 JN3 130 3H21 JN3 130 -2.817 9.424 -8.047 1051 1H22 JN3 130 1H22 JN3 130 -0.644 11.782 -6.664 1052 2H22 JN3 130 2H22 JN3 130 -0.053 10.604 -5.441 1053 1H23 JN3 130 1H23 JN3 130 -0.460 12.340 -3.996 1054 2H23 JN3 130 2H23 JN3 130 -2.111 11.776 -4.067 1055 1H1 JN3 131 1H1 JN3 131 5.148 -4.699 -5.065 1056 2H1 JN3 131 2H1 JN3 131 3.545 -4.899 -4.280 1057 1H2 JN3 131 1H2 JN3 131 2.517 -3.585 -6.014 1058 2H2 JN3 131 2H2 JN3 131 3.402 -5.007 -6.691 1059 H3 JN3 131 H3 JN3 131 5.403 -3.504 -7.240 1060 HO3 JN3 131 HO3 JN3 131 3.842 -1.745 -8.506 1061 1H4 JN3 131 1H4 JN3 131 3.681 -1.243 -6.125 1062 2H4 JN3 131 2H4 JN3 131 5.278 -1.054 -6.873 1063 H5 JN3 131 H5 JN3 131 6.288 -2.546 -5.000 1064 1H6 JN3 131 1H6 JN3 131 6.279 -0.058 -4.636 1065 2H6 JN3 131 2H6 JN3 131 6.130 -0.968 -3.141 1066 H7 JN3 131 H7 JN3 131 4.558 0.968 -3.217 1067 HO7 JN3 131 HO7 JN3 131 3.602 1.374 -5.074 1068 H8 JN3 131 H8 JN3 131 3.949 -1.026 -1.904 1069 H9 JN3 131 H9 JN3 131 2.461 -1.916 -4.555 1070 1H11 JN3 131 1H11 JN3 131 2.570 -3.300 -1.794 1071 2H11 JN3 131 2H11 JN3 131 1.824 -4.001 -3.232 1072 1H12 JN3 131 1H12 JN3 131 0.064 -2.953 -1.840 1073 2H12 JN3 131 2H12 JN3 131 0.229 -2.011 -3.324 1074 H14 JN3 131 H14 JN3 131 1.457 0.195 -3.348 1075 1H15 JN3 131 1H15 JN3 131 2.386 2.068 -2.220 1076 2H15 JN3 131 2H15 JN3 131 2.883 1.110 -0.829 1077 1H16 JN3 131 1H16 JN3 131 0.223 2.211 -1.459 1078 2H16 JN3 131 2H16 JN3 131 0.798 1.460 0.075 1079 H17 JN3 131 H17 JN3 131 -0.687 0.126 -2.265 1080 1H18 JN3 131 1H18 JN3 131 1.984 -0.490 0.443 1081 2H18 JN3 131 2H18 JN3 131 1.179 -2.077 0.458 1082 3H18 JN3 131 3H18 JN3 131 2.752 -1.885 -0.352 1083 1H19 JN3 131 1H19 JN3 131 5.382 -2.563 -2.147 1084 2H19 JN3 131 2H19 JN3 131 4.578 -4.149 -2.209 1085 3H19 JN3 131 3H19 JN3 131 6.130 -3.906 -3.045 1086 H20 JN3 131 H20 JN3 131 -0.798 -0.878 0.559 1087 1H21 JN3 131 1H21 JN3 131 -3.081 -1.368 0.142 1088 2H21 JN3 131 2H21 JN3 131 -2.927 -0.756 -1.522 1089 3H21 JN3 131 3H21 JN3 131 -2.008 -2.193 -1.014 1090 1H22 JN3 131 1H22 JN3 131 -2.862 1.119 -0.144 1091 2H22 JN3 131 2H22 JN3 131 -1.203 1.787 0.040 1092 1H23 JN3 131 1H23 JN3 131 -1.239 0.570 2.359 1093 2H23 JN3 131 2H23 JN3 131 -2.970 0.507 2.145 Start of MODEL 18 1 1H ALA 1 1H ALA 1 6.356 -13.067 -17.642 2 2H ALA 1 2H ALA 1 5.735 -11.590 -18.206 3 3H ALA 1 3H ALA 1 5.324 -12.151 -16.656 4 HA ALA 1 HA ALA 1 7.749 -12.002 -16.059 5 1HB ALA 1 1HB ALA 1 7.609 -11.063 -18.891 6 2HB ALA 1 2HB ALA 1 8.758 -10.250 -17.828 7 3HB ALA 1 3HB ALA 1 8.870 -11.992 -18.082 8 H PHE 2 H PHE 2 7.526 -10.557 -14.400 9 HA PHE 2 HA PHE 2 5.671 -8.310 -14.554 10 1HB PHE 2 1HB PHE 2 7.623 -9.442 -12.547 11 2HB PHE 2 2HB PHE 2 6.768 -7.932 -12.227 12 HD1 PHE 2 HD1 PHE 2 4.128 -8.133 -13.014 13 HD2 PHE 2 HD2 PHE 2 6.636 -11.324 -11.608 14 HE1 PHE 2 HE1 PHE 2 2.116 -9.414 -12.334 15 HE2 PHE 2 HE2 PHE 2 4.625 -12.604 -10.927 16 HZ PHE 2 HZ PHE 2 2.365 -11.650 -11.291 17 H SER 3 H SER 3 9.188 -8.731 -14.704 18 HA SER 3 HA SER 3 10.025 -6.045 -14.383 19 1HB SER 3 1HB SER 3 12.017 -6.830 -15.593 20 2HB SER 3 2HB SER 3 11.451 -8.083 -14.491 21 HG SER 3 HG SER 3 10.943 -7.882 -17.281 22 H GLY 4 H GLY 4 10.279 -4.330 -15.879 23 1HA GLY 4 1HA GLY 4 10.313 -3.790 -18.387 24 2HA GLY 4 2HA GLY 4 8.784 -4.669 -18.446 25 H THR 5 H THR 5 8.376 -2.286 -19.357 26 HA THR 5 HA THR 5 7.649 -0.469 -17.096 27 HB THR 5 HB THR 5 7.882 -0.023 -20.091 28 HG1 THR 5 HG1 THR 5 9.912 -0.002 -19.594 29 1HG2 THR 5 1HG2 THR 5 8.007 2.419 -19.217 30 2HG2 THR 5 2HG2 THR 5 6.424 1.647 -19.310 31 3HG2 THR 5 3HG2 THR 5 7.255 1.775 -17.759 32 H TRP 6 H TRP 6 5.497 -0.144 -16.636 33 HA TRP 6 HA TRP 6 3.480 -1.200 -18.594 34 1HB TRP 6 1HB TRP 6 3.530 -1.158 -15.560 35 2HB TRP 6 2HB TRP 6 2.149 -1.691 -16.517 36 HD1 TRP 6 HD1 TRP 6 5.455 -2.827 -15.191 37 HE1 TRP 6 HE1 TRP 6 5.929 -5.240 -15.964 38 HE3 TRP 6 HE3 TRP 6 1.734 -3.394 -18.641 39 HZ2 TRP 6 HZ2 TRP 6 4.868 -7.157 -17.803 40 HZ3 TRP 6 HZ3 TRP 6 1.489 -5.521 -19.889 41 HH2 TRP 6 HH2 TRP 6 3.050 -7.402 -19.475 42 H GLN 7 H GLN 7 1.615 0.093 -18.912 43 HA GLN 7 HA GLN 7 1.628 2.777 -17.568 44 1HB GLN 7 1HB GLN 7 2.513 2.894 -19.855 45 2HB GLN 7 2HB GLN 7 1.092 2.047 -20.466 46 1HG GLN 7 1HG GLN 7 -0.339 3.903 -19.616 47 2HG GLN 7 2HG GLN 7 1.120 4.765 -19.124 48 1HE2 GLN 7 2HE2 GLN 7 -0.797 3.751 -21.917 49 2HE2 GLN 7 1HE2 GLN 7 0.059 4.665 -23.062 50 H VAL 8 H VAL 8 -0.221 2.862 -16.347 51 HA VAL 8 HA VAL 8 -2.485 1.151 -16.640 52 HB VAL 8 HB VAL 8 -2.279 3.921 -15.416 53 1HG1 VAL 8 1HG1 VAL 8 -4.199 1.616 -15.128 54 2HG1 VAL 8 2HG1 VAL 8 -3.969 2.765 -13.810 55 3HG1 VAL 8 3HG1 VAL 8 -4.557 3.325 -15.377 56 1HG2 VAL 8 1HG2 VAL 8 -1.328 1.211 -14.553 57 2HG2 VAL 8 2HG2 VAL 8 -0.561 2.784 -14.338 58 3HG2 VAL 8 3HG2 VAL 8 -1.928 2.324 -13.324 59 H TYR 9 H TYR 9 -4.277 1.312 -17.956 60 HA TYR 9 HA TYR 9 -4.765 3.900 -19.382 61 1HB TYR 9 1HB TYR 9 -5.121 2.555 -21.440 62 2HB TYR 9 2HB TYR 9 -3.487 2.344 -20.809 63 HD1 TYR 9 HD1 TYR 9 -6.910 0.833 -20.684 64 HD2 TYR 9 HD2 TYR 9 -2.678 0.194 -20.318 65 HE1 TYR 9 HE1 TYR 9 -7.294 -1.611 -20.500 66 HE2 TYR 9 HE2 TYR 9 -3.062 -2.250 -20.134 67 HH TYR 9 HH TYR 9 -6.329 -3.585 -19.936 68 H ALA 10 H ALA 10 -5.985 1.052 -17.817 69 HA ALA 10 HA ALA 10 -8.766 2.104 -18.139 70 1HB ALA 10 1HB ALA 10 -7.709 -0.695 -18.618 71 2HB ALA 10 2HB ALA 10 -9.426 -0.346 -18.417 72 3HB ALA 10 3HB ALA 10 -8.538 0.351 -19.771 73 H GLN 11 H GLN 11 -9.857 2.112 -16.194 74 HA GLN 11 HA GLN 11 -8.980 0.271 -14.023 75 1HB GLN 11 1HB GLN 11 -9.035 3.303 -13.951 76 2HB GLN 11 2HB GLN 11 -8.912 2.303 -12.503 77 1HG GLN 11 1HG GLN 11 -6.866 1.240 -13.444 78 2HG GLN 11 2HG GLN 11 -6.968 2.326 -14.831 79 1HE2 GLN 11 2HE2 GLN 11 -7.270 4.794 -14.014 80 2HE2 GLN 11 1HE2 GLN 11 -6.190 5.257 -12.788 81 H GLU 12 H GLU 12 -10.877 -0.692 -13.407 82 HA GLU 12 HA GLU 12 -13.457 0.699 -13.772 83 1HB GLU 12 1HB GLU 12 -12.513 -2.059 -12.987 84 2HB GLU 12 2HB GLU 12 -14.212 -1.608 -12.837 85 1HG GLU 12 1HG GLU 12 -12.582 -1.403 -15.387 86 2HG GLU 12 2HG GLU 12 -13.732 -2.690 -15.022 87 H ASN 13 H ASN 13 -14.757 1.413 -12.062 88 HA ASN 13 HA ASN 13 -15.258 2.165 -9.877 89 1HB ASN 13 1HB ASN 13 -14.973 -0.500 -9.854 90 2HB ASN 13 2HB ASN 13 -13.624 -0.092 -8.794 91 1HD2 ASN 13 2HD2 ASN 13 -14.383 -0.414 -6.687 92 2HD2 ASN 13 1HD2 ASN 13 -15.852 0.187 -6.087 93 H TYR 14 H TYR 14 -12.619 2.917 -11.213 94 HA TYR 14 HA TYR 14 -10.458 3.022 -9.403 95 1HB TYR 14 1HB TYR 14 -10.488 3.690 -11.810 96 2HB TYR 14 2HB TYR 14 -11.402 5.133 -11.371 97 HD1 TYR 14 HD1 TYR 14 -8.409 3.352 -9.958 98 HD2 TYR 14 HD2 TYR 14 -10.092 7.052 -11.347 99 HE1 TYR 14 HE1 TYR 14 -6.296 4.524 -9.397 100 HE2 TYR 14 HE2 TYR 14 -7.979 8.224 -10.785 101 HH TYR 14 HH TYR 14 -5.471 7.475 -10.552 102 H GLU 15 H GLU 15 -13.070 5.441 -9.847 103 HA GLU 15 HA GLU 15 -12.231 7.161 -7.707 104 1HB GLU 15 1HB GLU 15 -14.583 6.732 -9.469 105 2HB GLU 15 2HB GLU 15 -14.898 7.613 -7.975 106 1HG GLU 15 1HG GLU 15 -13.142 9.223 -8.506 107 2HG GLU 15 2HG GLU 15 -12.710 8.312 -9.954 108 H GLU 16 H GLU 16 -14.705 4.576 -7.850 109 HA GLU 16 HA GLU 16 -15.672 4.785 -5.194 110 1HB GLU 16 1HB GLU 16 -15.548 2.787 -7.379 111 2HB GLU 16 2HB GLU 16 -15.840 2.125 -5.769 112 1HG GLU 16 1HG GLU 16 -18.015 2.606 -6.402 113 2HG GLU 16 2HG GLU 16 -17.575 4.132 -5.633 114 H PHE 17 H PHE 17 -13.264 2.407 -6.394 115 HA PHE 17 HA PHE 17 -12.438 1.319 -3.963 116 1HB PHE 17 1HB PHE 17 -11.651 0.470 -6.061 117 2HB PHE 17 2HB PHE 17 -10.943 2.025 -6.500 118 HD1 PHE 17 HD1 PHE 17 -10.593 -0.966 -4.366 119 HD2 PHE 17 HD2 PHE 17 -8.830 2.767 -5.553 120 HE1 PHE 17 HE1 PHE 17 -8.459 -1.632 -3.291 121 HE2 PHE 17 HE2 PHE 17 -6.697 2.101 -4.478 122 HZ PHE 17 HZ PHE 17 -6.512 -0.098 -3.347 123 H LEU 18 H LEU 18 -10.740 4.025 -5.605 124 HA LEU 18 HA LEU 18 -9.006 4.729 -3.501 125 1HB LEU 18 1HB LEU 18 -10.254 6.042 -5.869 126 2HB LEU 18 2HB LEU 18 -9.476 7.102 -4.695 127 HG LEU 18 HG LEU 18 -7.890 4.714 -5.319 128 1HD1 LEU 18 1HD1 LEU 18 -8.919 6.487 -7.489 129 2HD1 LEU 18 2HD1 LEU 18 -7.213 6.046 -7.547 130 3HD1 LEU 18 3HD1 LEU 18 -8.449 4.789 -7.554 131 1HD2 LEU 18 1HD2 LEU 18 -7.493 7.704 -5.165 132 2HD2 LEU 18 2HD2 LEU 18 -6.834 6.454 -4.110 133 3HD2 LEU 18 3HD2 LEU 18 -6.211 6.643 -5.750 134 H LYS 19 H LYS 19 -12.186 6.220 -4.246 135 HA LYS 19 HA LYS 19 -12.533 8.058 -2.263 136 1HB LYS 19 1HB LYS 19 -14.247 6.017 -3.573 137 2HB LYS 19 2HB LYS 19 -14.922 6.763 -2.123 138 1HG LYS 19 1HG LYS 19 -14.661 8.976 -3.054 139 2HG LYS 19 2HG LYS 19 -13.760 8.342 -4.431 140 1HD LYS 19 1HD LYS 19 -15.798 7.000 -5.054 141 2HD LYS 19 2HD LYS 19 -16.678 7.851 -3.784 142 1HE LYS 19 1HE LYS 19 -16.235 10.006 -4.878 143 2HE LYS 19 2HE LYS 19 -15.285 9.187 -6.134 144 1HZ LYS 19 1HZ LYS 19 -18.127 8.606 -5.484 145 2HZ LYS 19 2HZ LYS 19 -17.601 9.509 -6.822 146 3HZ LYS 19 3HZ LYS 19 -17.209 7.864 -6.705 147 H ALA 20 H ALA 20 -12.854 4.529 -1.769 148 HA ALA 20 HA ALA 20 -13.487 4.652 1.027 149 1HB ALA 20 1HB ALA 20 -12.894 2.724 -1.049 150 2HB ALA 20 2HB ALA 20 -12.082 2.266 0.448 151 3HB ALA 20 3HB ALA 20 -13.830 2.499 0.428 152 H LEU 21 H LEU 21 -10.452 4.816 -0.738 153 HA LEU 21 HA LEU 21 -8.628 4.138 1.343 154 1HB LEU 21 1HB LEU 21 -8.587 5.003 -1.306 155 2HB LEU 21 2HB LEU 21 -7.780 6.306 -0.432 156 HG LEU 21 HG LEU 21 -6.446 4.422 0.742 157 1HD1 LEU 21 1HD1 LEU 21 -7.760 2.970 -1.552 158 2HD1 LEU 21 2HD1 LEU 21 -6.201 2.444 -0.918 159 3HD1 LEU 21 3HD1 LEU 21 -7.618 2.465 0.132 160 1HD2 LEU 21 1HD2 LEU 21 -6.088 5.006 -2.215 161 2HD2 LEU 21 2HD2 LEU 21 -5.438 5.956 -0.879 162 3HD2 LEU 21 3HD2 LEU 21 -4.845 4.321 -1.170 163 H ALA 22 H ALA 22 -10.643 6.932 0.907 164 HA ALA 22 HA ALA 22 -11.033 8.672 2.501 165 1HB ALA 22 1HB ALA 22 -9.751 6.753 3.921 166 2HB ALA 22 2HB ALA 22 -8.530 8.024 3.973 167 3HB ALA 22 3HB ALA 22 -10.151 8.332 4.597 168 H LEU 23 H LEU 23 -9.295 8.773 0.055 169 HA LEU 23 HA LEU 23 -7.045 10.529 0.675 170 1HB LEU 23 1HB LEU 23 -8.447 9.430 -1.740 171 2HB LEU 23 2HB LEU 23 -7.328 10.777 -1.952 172 HG LEU 23 HG LEU 23 -6.666 8.150 -0.587 173 1HD1 LEU 23 1HD1 LEU 23 -6.969 8.472 -3.245 174 2HD1 LEU 23 2HD1 LEU 23 -5.315 9.063 -3.079 175 3HD1 LEU 23 3HD1 LEU 23 -5.724 7.429 -2.555 176 1HD2 LEU 23 1HD2 LEU 23 -5.121 10.690 -1.124 177 2HD2 LEU 23 2HD2 LEU 23 -5.300 9.818 0.399 178 3HD2 LEU 23 3HD2 LEU 23 -4.298 9.147 -0.887 179 HA PRO 24 HA PRO 24 -9.096 14.405 0.541 180 1HB PRO 24 1HB PRO 24 -7.302 15.962 -0.817 181 2HB PRO 24 2HB PRO 24 -7.031 15.402 0.845 182 1HG PRO 24 1HG PRO 24 -5.923 14.355 -1.709 183 2HG PRO 24 2HG PRO 24 -5.149 14.522 -0.126 184 1HD PRO 24 1HD PRO 24 -6.102 12.156 -1.110 185 2HD PRO 24 2HD PRO 24 -5.957 12.518 0.623 186 H GLU 25 H GLU 25 -10.586 15.466 -0.789 187 HA GLU 25 HA GLU 25 -11.269 14.379 -3.340 188 1HB GLU 25 1HB GLU 25 -11.905 17.026 -1.995 189 2HB GLU 25 2HB GLU 25 -12.763 16.393 -3.400 190 1HG GLU 25 1HG GLU 25 -13.501 14.451 -2.149 191 2HG GLU 25 2HG GLU 25 -12.515 14.921 -0.763 192 H ASP 26 H ASP 26 -9.398 17.273 -2.432 193 HA ASP 26 HA ASP 26 -9.104 18.455 -4.989 194 1HB ASP 26 1HB ASP 26 -7.305 18.270 -2.556 195 2HB ASP 26 2HB ASP 26 -6.961 19.333 -3.922 196 H LEU 27 H LEU 27 -7.499 15.657 -3.564 197 HA LEU 27 HA LEU 27 -5.516 15.498 -5.751 198 1HB LEU 27 1HB LEU 27 -4.883 14.965 -3.452 199 2HB LEU 27 2HB LEU 27 -6.173 13.765 -3.348 200 HG LEU 27 HG LEU 27 -5.082 12.554 -5.280 201 1HD1 LEU 27 1HD1 LEU 27 -3.534 14.936 -5.328 202 2HD1 LEU 27 2HD1 LEU 27 -2.447 13.628 -4.862 203 3HD1 LEU 27 3HD1 LEU 27 -3.363 13.520 -6.364 204 1HD2 LEU 27 1HD2 LEU 27 -4.637 12.334 -2.624 205 2HD2 LEU 27 2HD2 LEU 27 -3.829 11.309 -3.810 206 3HD2 LEU 27 3HD2 LEU 27 -3.002 12.723 -3.157 207 H ILE 28 H ILE 28 -8.629 14.164 -4.901 208 HA ILE 28 HA ILE 28 -8.431 11.862 -6.710 209 HB ILE 28 HB ILE 28 -10.703 13.177 -5.188 210 1HG1 ILE 28 1HG1 ILE 28 -9.199 10.607 -4.616 211 2HG1 ILE 28 2HG1 ILE 28 -8.787 12.155 -3.878 212 1HG2 ILE 28 1HG2 ILE 28 -10.567 10.783 -6.983 213 2HG2 ILE 28 2HG2 ILE 28 -11.606 10.708 -5.560 214 3HG2 ILE 28 3HG2 ILE 28 -11.868 11.955 -6.778 215 1HD1 ILE 28 1HD1 ILE 28 -11.636 11.261 -3.752 216 2HD1 ILE 28 2HD1 ILE 28 -10.473 10.468 -2.690 217 3HD1 ILE 28 3HD1 ILE 28 -10.708 12.214 -2.594 218 H LYS 29 H LYS 29 -9.996 15.066 -6.731 219 HA LYS 29 HA LYS 29 -11.303 14.688 -9.297 220 1HB LYS 29 1HB LYS 29 -10.550 17.189 -7.747 221 2HB LYS 29 2HB LYS 29 -11.754 17.097 -9.033 222 1HG LYS 29 1HG LYS 29 -11.904 15.439 -6.504 223 2HG LYS 29 2HG LYS 29 -12.703 17.001 -6.684 224 1HD LYS 29 1HD LYS 29 -13.855 16.098 -8.730 225 2HD LYS 29 2HD LYS 29 -13.173 14.516 -8.353 226 1HE LYS 29 1HE LYS 29 -14.402 14.356 -6.309 227 2HE LYS 29 2HE LYS 29 -14.834 16.077 -6.354 228 1HZ LYS 29 1HZ LYS 29 -15.578 14.137 -8.475 229 2HZ LYS 29 2HZ LYS 29 -16.610 14.561 -7.193 230 3HZ LYS 29 3HZ LYS 29 -16.119 15.740 -8.309 231 H MET 30 H MET 30 -8.154 15.875 -8.251 232 HA MET 30 HA MET 30 -7.492 16.948 -10.921 233 1HB MET 30 1HB MET 30 -6.807 17.937 -8.689 234 2HB MET 30 2HB MET 30 -5.754 16.538 -8.470 235 1HG MET 30 1HG MET 30 -4.633 17.107 -10.635 236 2HG MET 30 2HG MET 30 -5.612 18.571 -10.715 237 1HE MET 30 1HE MET 30 -5.922 20.082 -9.130 238 2HE MET 30 2HE MET 30 -5.317 19.999 -7.478 239 3HE MET 30 3HE MET 30 -4.502 21.020 -8.672 240 H ALA 31 H ALA 31 -6.993 14.030 -9.040 241 HA ALA 31 HA ALA 31 -5.012 13.013 -11.028 242 1HB ALA 31 1HB ALA 31 -5.961 12.073 -8.303 243 2HB ALA 31 2HB ALA 31 -4.759 11.220 -9.272 244 3HB ALA 31 3HB ALA 31 -4.420 12.845 -8.675 245 H ARG 32 H ARG 32 -8.296 13.096 -10.721 246 HA ARG 32 HA ARG 32 -9.084 10.356 -11.117 247 1HB ARG 32 1HB ARG 32 -11.182 11.306 -11.264 248 2HB ARG 32 2HB ARG 32 -10.324 12.686 -10.579 249 1HG ARG 32 1HG ARG 32 -9.970 13.619 -12.811 250 2HG ARG 32 2HG ARG 32 -10.736 12.210 -13.544 251 1HD ARG 32 1HD ARG 32 -12.872 12.759 -12.514 252 2HD ARG 32 2HD ARG 32 -12.130 14.091 -11.605 253 HE ARG 32 HE ARG 32 -11.572 14.379 -14.414 254 1HH1 ARG 32 1HH1 ARG 32 -12.388 16.635 -12.635 255 2HH1 ARG 32 2HH1 ARG 32 -13.974 17.012 -13.222 256 1HH2 ARG 32 1HH2 ARG 32 -14.344 14.016 -14.929 257 2HH2 ARG 32 2HH2 ARG 32 -15.080 15.529 -14.520 258 H ASP 33 H ASP 33 -7.208 12.293 -13.076 259 HA ASP 33 HA ASP 33 -7.838 10.622 -15.458 260 1HB ASP 33 1HB ASP 33 -7.878 13.648 -15.278 261 2HB ASP 33 2HB ASP 33 -7.817 12.778 -16.811 262 H ILE 34 H ILE 34 -5.590 10.300 -13.861 263 HA ILE 34 HA ILE 34 -3.414 11.578 -15.488 264 HB ILE 34 HB ILE 34 -3.828 11.089 -12.570 265 1HG1 ILE 34 1HG1 ILE 34 -2.384 13.224 -14.175 266 2HG1 ILE 34 2HG1 ILE 34 -4.036 13.344 -13.569 267 1HG2 ILE 34 1HG2 ILE 34 -1.118 11.059 -13.931 268 2HG2 ILE 34 2HG2 ILE 34 -1.370 11.191 -12.191 269 3HG2 ILE 34 3HG2 ILE 34 -1.850 9.723 -13.043 270 1HD1 ILE 34 1HD1 ILE 34 -3.040 12.906 -11.241 271 2HD1 ILE 34 2HD1 ILE 34 -1.470 13.231 -11.977 272 3HD1 ILE 34 3HD1 ILE 34 -2.711 14.484 -11.957 273 H LYS 35 H LYS 35 -2.320 10.080 -16.691 274 HA LYS 35 HA LYS 35 -2.554 7.200 -15.983 275 1HB LYS 35 1HB LYS 35 -1.786 8.830 -18.399 276 2HB LYS 35 2HB LYS 35 -1.393 7.112 -18.326 277 1HG LYS 35 1HG LYS 35 -3.489 6.953 -19.268 278 2HG LYS 35 2HG LYS 35 -3.956 6.957 -17.567 279 1HD LYS 35 1HD LYS 35 -3.906 9.596 -17.931 280 2HD LYS 35 2HD LYS 35 -4.202 9.129 -19.606 281 1HE LYS 35 1HE LYS 35 -6.027 7.541 -18.452 282 2HE LYS 35 2HE LYS 35 -5.971 8.815 -17.218 283 1HZ LYS 35 1HZ LYS 35 -6.181 9.373 -20.124 284 2HZ LYS 35 2HZ LYS 35 -7.535 9.260 -19.104 285 3HZ LYS 35 3HZ LYS 35 -6.372 10.471 -18.845 286 HA PRO 36 HA PRO 36 1.655 8.236 -14.416 287 1HB PRO 36 1HB PRO 36 1.491 6.629 -12.207 288 2HB PRO 36 2HB PRO 36 0.894 8.301 -12.232 289 1HG PRO 36 1HG PRO 36 -0.615 5.749 -12.468 290 2HG PRO 36 2HG PRO 36 -1.055 7.249 -11.636 291 1HD PRO 36 1HD PRO 36 -2.044 6.517 -14.079 292 2HD PRO 36 2HD PRO 36 -1.900 8.204 -13.533 293 H ILE 37 H ILE 37 3.449 6.976 -14.928 294 HA ILE 37 HA ILE 37 2.937 4.258 -16.004 295 HB ILE 37 HB ILE 37 5.375 6.070 -15.988 296 1HG1 ILE 37 1HG1 ILE 37 3.692 5.480 -18.398 297 2HG1 ILE 37 2HG1 ILE 37 3.112 6.674 -17.236 298 1HG2 ILE 37 1HG2 ILE 37 4.758 3.561 -17.579 299 2HG2 ILE 37 2HG2 ILE 37 6.181 4.581 -17.790 300 3HG2 ILE 37 3HG2 ILE 37 5.950 3.691 -16.286 301 1HD1 ILE 37 1HD1 ILE 37 5.255 7.895 -17.431 302 2HD1 ILE 37 2HD1 ILE 37 5.814 6.713 -18.615 303 3HD1 ILE 37 3HD1 ILE 37 4.447 7.763 -18.993 304 H VAL 38 H VAL 38 4.202 2.426 -15.282 305 HA VAL 38 HA VAL 38 5.552 2.782 -12.628 306 HB VAL 38 HB VAL 38 3.548 0.689 -13.527 307 1HG1 VAL 38 1HG1 VAL 38 5.476 0.802 -11.248 308 2HG1 VAL 38 2HG1 VAL 38 3.864 0.162 -10.925 309 3HG1 VAL 38 3HG1 VAL 38 4.885 -0.594 -12.149 310 1HG2 VAL 38 1HG2 VAL 38 2.583 2.866 -12.857 311 2HG2 VAL 38 2HG2 VAL 38 2.195 1.613 -11.678 312 3HG2 VAL 38 3HG2 VAL 38 3.466 2.786 -11.333 313 H GLU 39 H GLU 39 7.644 2.101 -12.852 314 HA GLU 39 HA GLU 39 8.318 0.143 -14.994 315 1HB GLU 39 1HB GLU 39 9.418 2.482 -14.419 316 2HB GLU 39 2HB GLU 39 10.291 1.539 -13.210 317 1HG GLU 39 1HG GLU 39 11.086 0.003 -14.954 318 2HG GLU 39 2HG GLU 39 10.183 0.903 -16.174 319 H ILE 40 H ILE 40 8.971 -1.930 -14.487 320 HA ILE 40 HA ILE 40 9.380 -2.579 -11.583 321 HB ILE 40 HB ILE 40 8.197 -4.267 -13.814 322 1HG1 ILE 40 1HG1 ILE 40 6.816 -2.901 -11.482 323 2HG1 ILE 40 2HG1 ILE 40 6.803 -2.292 -13.137 324 1HG2 ILE 40 1HG2 ILE 40 9.358 -5.439 -11.870 325 2HG2 ILE 40 2HG2 ILE 40 8.126 -4.732 -10.823 326 3HG2 ILE 40 3HG2 ILE 40 7.659 -5.855 -12.101 327 1HD1 ILE 40 1HD1 ILE 40 5.833 -4.507 -13.860 328 2HD1 ILE 40 2HD1 ILE 40 5.673 -4.925 -12.153 329 3HD1 ILE 40 3HD1 ILE 40 4.773 -3.560 -12.814 330 H GLN 41 H GLN 41 11.333 -3.533 -11.125 331 HA GLN 41 HA GLN 41 12.838 -4.845 -13.358 332 1HB GLN 41 1HB GLN 41 13.603 -2.519 -13.020 333 2HB GLN 41 2HB GLN 41 13.875 -2.856 -11.310 334 1HG GLN 41 1HG GLN 41 15.538 -4.573 -11.901 335 2HG GLN 41 2HG GLN 41 15.262 -4.258 -13.614 336 1HE2 GLN 41 2HE2 GLN 41 17.071 -3.122 -14.351 337 2HE2 GLN 41 1HE2 GLN 41 17.758 -1.784 -13.565 338 H GLN 42 H GLN 42 11.857 -6.755 -12.094 339 HA GLN 42 HA GLN 42 12.862 -7.310 -9.414 340 1HB GLN 42 1HB GLN 42 11.812 -9.545 -9.932 341 2HB GLN 42 2HB GLN 42 10.730 -8.177 -10.195 342 1HG GLN 42 1HG GLN 42 10.598 -8.578 -12.417 343 2HG GLN 42 2HG GLN 42 12.340 -8.814 -12.557 344 1HE2 GLN 42 2HE2 GLN 42 10.268 -10.512 -13.805 345 2HE2 GLN 42 1HE2 GLN 42 10.468 -12.070 -13.161 346 H LYS 43 H LYS 43 14.228 -9.281 -8.985 347 HA LYS 43 HA LYS 43 15.956 -10.236 -11.172 348 1HB LYS 43 1HB LYS 43 16.783 -8.264 -9.052 349 2HB LYS 43 2HB LYS 43 17.973 -9.374 -9.734 350 1HG LYS 43 1HG LYS 43 16.253 -7.414 -11.284 351 2HG LYS 43 2HG LYS 43 17.991 -7.288 -11.006 352 1HD LYS 43 1HD LYS 43 18.271 -9.490 -12.188 353 2HD LYS 43 2HD LYS 43 16.556 -9.432 -12.596 354 1HE LYS 43 1HE LYS 43 16.862 -7.379 -13.864 355 2HE LYS 43 2HE LYS 43 18.556 -7.269 -13.344 356 1HZ LYS 43 1HZ LYS 43 18.904 -9.498 -14.320 357 2HZ LYS 43 2HZ LYS 43 17.327 -9.445 -14.951 358 3HZ LYS 43 3HZ LYS 43 18.489 -8.328 -15.480 359 H GLY 44 H GLY 44 14.284 -11.777 -9.615 360 1HA GLY 44 1HA GLY 44 15.007 -14.004 -8.738 361 2HA GLY 44 2HA GLY 44 16.190 -13.140 -7.755 362 H ASP 45 H ASP 45 15.565 -12.419 -5.747 363 HA ASP 45 HA ASP 45 12.712 -12.909 -4.979 364 1HB ASP 45 1HB ASP 45 15.384 -12.977 -3.587 365 2HB ASP 45 2HB ASP 45 13.902 -12.809 -2.644 366 H ASP 46 H ASP 46 14.787 -10.401 -5.777 367 HA ASP 46 HA ASP 46 13.559 -8.479 -3.847 368 1HB ASP 46 1HB ASP 46 16.050 -8.664 -4.155 369 2HB ASP 46 2HB ASP 46 15.835 -8.138 -5.826 370 H PHE 47 H PHE 47 12.416 -6.648 -4.640 371 HA PHE 47 HA PHE 47 11.829 -6.625 -7.581 372 1HB PHE 47 1HB PHE 47 10.089 -6.961 -5.208 373 2HB PHE 47 2HB PHE 47 9.490 -5.821 -6.414 374 HD1 PHE 47 HD1 PHE 47 11.132 -9.200 -6.283 375 HD2 PHE 47 HD2 PHE 47 8.194 -6.679 -8.144 376 HE1 PHE 47 HE1 PHE 47 10.421 -11.092 -7.720 377 HE2 PHE 47 HE2 PHE 47 7.481 -8.571 -9.581 378 HZ PHE 47 HZ PHE 47 8.594 -10.777 -9.368 379 H VAL 48 H VAL 48 11.776 -4.561 -8.473 380 HA VAL 48 HA VAL 48 12.037 -2.251 -6.571 381 HB VAL 48 HB VAL 48 13.335 -2.730 -9.276 382 1HG1 VAL 48 1HG1 VAL 48 13.299 -0.414 -7.358 383 2HG1 VAL 48 2HG1 VAL 48 14.728 -0.704 -8.351 384 3HG1 VAL 48 3HG1 VAL 48 13.167 -0.403 -9.116 385 1HG2 VAL 48 1HG2 VAL 48 14.165 -3.191 -6.449 386 2HG2 VAL 48 2HG2 VAL 48 14.617 -4.069 -7.910 387 3HG2 VAL 48 3HG2 VAL 48 15.380 -2.524 -7.538 388 H VAL 49 H VAL 49 10.057 -1.223 -6.714 389 HA VAL 49 HA VAL 49 8.827 -0.902 -9.428 390 HB VAL 49 HB VAL 49 7.700 -0.760 -6.612 391 1HG1 VAL 49 1HG1 VAL 49 6.678 0.164 -9.186 392 2HG1 VAL 49 2HG1 VAL 49 5.614 -1.030 -8.443 393 3HG1 VAL 49 3HG1 VAL 49 6.040 0.439 -7.565 394 1HG2 VAL 49 1HG2 VAL 49 8.377 -2.978 -8.089 395 2HG2 VAL 49 2HG2 VAL 49 7.120 -2.948 -6.851 396 3HG2 VAL 49 3HG2 VAL 49 6.692 -2.741 -8.550 397 H THR 50 H THR 50 8.786 1.150 -10.272 398 HA THR 50 HA THR 50 9.169 3.460 -8.396 399 HB THR 50 HB THR 50 10.392 2.979 -11.134 400 HG1 THR 50 HG1 THR 50 12.272 2.710 -9.989 401 1HG2 THR 50 1HG2 THR 50 11.664 5.047 -10.648 402 2HG2 THR 50 2HG2 THR 50 9.930 5.354 -10.731 403 3HG2 THR 50 3HG2 THR 50 10.733 5.257 -9.164 404 H SER 51 H SER 51 7.204 4.511 -8.486 405 HA SER 51 HA SER 51 5.666 4.572 -11.021 406 1HB SER 51 1HB SER 51 5.110 5.600 -8.220 407 2HB SER 51 2HB SER 51 3.936 5.547 -9.533 408 HG SER 51 HG SER 51 3.626 3.533 -9.060 409 H LYS 52 H LYS 52 5.607 6.374 -12.325 410 HA LYS 52 HA LYS 52 6.772 8.921 -11.243 411 1HB LYS 52 1HB LYS 52 7.038 7.582 -13.953 412 2HB LYS 52 2HB LYS 52 7.615 9.214 -13.606 413 1HG LYS 52 1HG LYS 52 9.050 8.307 -11.798 414 2HG LYS 52 2HG LYS 52 8.504 6.678 -12.199 415 1HD LYS 52 1HD LYS 52 9.412 6.931 -14.479 416 2HD LYS 52 2HD LYS 52 9.962 8.558 -14.079 417 1HE LYS 52 1HE LYS 52 11.704 7.792 -12.765 418 2HE LYS 52 2HE LYS 52 10.827 6.328 -12.278 419 1HZ LYS 52 1HZ LYS 52 10.988 5.570 -14.612 420 2HZ LYS 52 2HZ LYS 52 11.990 6.901 -14.953 421 3HZ LYS 52 3HZ LYS 52 12.505 5.712 -13.858 422 H THR 53 H THR 53 5.236 10.510 -11.237 423 HA THR 53 HA THR 53 2.945 10.291 -13.152 424 HB THR 53 HB THR 53 2.536 12.248 -11.120 425 HG1 THR 53 HG1 THR 53 4.137 11.339 -9.903 426 1HG2 THR 53 1HG2 THR 53 1.493 9.423 -11.056 427 2HG2 THR 53 2HG2 THR 53 0.668 10.913 -10.595 428 3HG2 THR 53 3HG2 THR 53 0.964 10.559 -12.298 429 HA PRO 54 HA PRO 54 4.095 14.025 -15.146 430 1HB PRO 54 1HB PRO 54 1.711 15.339 -15.422 431 2HB PRO 54 2HB PRO 54 2.131 13.893 -16.361 432 1HG PRO 54 1HG PRO 54 0.393 14.152 -13.962 433 2HG PRO 54 2HG PRO 54 0.201 13.123 -15.391 434 1HD PRO 54 1HD PRO 54 1.128 12.222 -12.981 435 2HD PRO 54 2HD PRO 54 1.536 11.475 -14.541 436 H ARG 55 H ARG 55 2.484 14.206 -12.075 437 HA ARG 55 HA ARG 55 3.226 17.083 -11.756 438 1HB ARG 55 1HB ARG 55 1.410 15.172 -10.256 439 2HB ARG 55 2HB ARG 55 1.723 16.825 -9.729 440 1HG ARG 55 1HG ARG 55 0.815 17.714 -11.802 441 2HG ARG 55 2HG ARG 55 0.627 16.086 -12.457 442 1HD ARG 55 1HD ARG 55 -1.544 16.590 -11.664 443 2HD ARG 55 2HD ARG 55 -0.842 15.680 -10.312 444 HE ARG 55 HE ARG 55 -1.172 18.634 -10.409 445 1HH1 ARG 55 1HH1 ARG 55 -2.237 16.677 -8.287 446 2HH1 ARG 55 2HH1 ARG 55 -1.159 17.013 -6.974 447 1HH2 ARG 55 1HH2 ARG 55 1.149 18.686 -8.947 448 2HH2 ARG 55 2HH2 ARG 55 0.759 18.150 -7.347 449 H GLN 56 H GLN 56 4.062 13.863 -10.737 450 HA GLN 56 HA GLN 56 6.403 14.839 -9.289 451 1HB GLN 56 1HB GLN 56 5.658 13.984 -7.091 452 2HB GLN 56 2HB GLN 56 4.561 15.234 -7.679 453 1HG GLN 56 1HG GLN 56 2.993 13.543 -8.473 454 2HG GLN 56 2HG GLN 56 4.108 12.255 -8.017 455 1HE2 GLN 56 2HE2 GLN 56 3.861 11.429 -5.928 456 2HE2 GLN 56 1HE2 GLN 56 2.997 12.191 -4.682 457 H THR 57 H THR 57 7.746 13.000 -8.536 458 HA THR 57 HA THR 57 6.958 10.379 -9.766 459 HB THR 57 HB THR 57 9.495 10.267 -10.270 460 HG1 THR 57 HG1 THR 57 10.433 11.905 -9.315 461 1HG2 THR 57 1HG2 THR 57 9.204 11.703 -12.313 462 2HG2 THR 57 2HG2 THR 57 7.883 10.565 -12.049 463 3HG2 THR 57 3HG2 THR 57 7.676 12.268 -11.636 464 H VAL 58 H VAL 58 7.234 8.651 -8.386 465 HA VAL 58 HA VAL 58 8.944 9.054 -5.954 466 HB VAL 58 HB VAL 58 6.226 7.719 -6.185 467 1HG1 VAL 58 1HG1 VAL 58 8.022 8.252 -3.799 468 2HG1 VAL 58 2HG1 VAL 58 6.372 7.636 -3.701 469 3HG1 VAL 58 3HG1 VAL 58 7.631 6.671 -4.474 470 1HG2 VAL 58 1HG2 VAL 58 6.287 10.249 -6.351 471 2HG2 VAL 58 2HG2 VAL 58 5.369 9.625 -4.981 472 3HG2 VAL 58 3HG2 VAL 58 6.993 10.268 -4.735 473 H THR 59 H THR 59 10.439 7.433 -5.732 474 HA THR 59 HA THR 59 10.027 4.917 -7.310 475 HB THR 59 HB THR 59 12.581 6.153 -6.234 476 HG1 THR 59 HG1 THR 59 12.344 7.508 -7.799 477 1HG2 THR 59 1HG2 THR 59 12.552 4.409 -8.625 478 2HG2 THR 59 2HG2 THR 59 13.696 4.464 -7.284 479 3HG2 THR 59 3HG2 THR 59 12.163 3.611 -7.101 480 H ASN 60 H ASN 60 10.077 2.963 -6.203 481 HA ASN 60 HA ASN 60 10.850 3.014 -3.309 482 1HB ASN 60 1HB ASN 60 8.401 1.756 -4.589 483 2HB ASN 60 2HB ASN 60 8.828 1.641 -2.881 484 1HD2 ASN 60 2HD2 ASN 60 6.369 2.853 -3.690 485 2HD2 ASN 60 1HD2 ASN 60 6.447 4.513 -3.344 486 H SER 61 H SER 61 11.615 0.951 -2.523 487 HA SER 61 HA SER 61 11.953 -1.229 -4.524 488 1HB SER 61 1HB SER 61 13.883 0.313 -4.719 489 2HB SER 61 2HB SER 61 14.193 0.138 -2.995 490 HG SER 61 HG SER 61 15.418 -1.262 -4.490 491 H PHE 62 H PHE 62 11.556 -3.158 -3.512 492 HA PHE 62 HA PHE 62 12.196 -3.421 -0.604 493 1HB PHE 62 1HB PHE 62 9.916 -4.509 -0.376 494 2HB PHE 62 2HB PHE 62 9.865 -2.781 -0.730 495 HD1 PHE 62 HD1 PHE 62 9.223 -1.962 -2.951 496 HD2 PHE 62 HD2 PHE 62 9.280 -6.161 -2.052 497 HE1 PHE 62 HE1 PHE 62 7.913 -2.419 -5.007 498 HE2 PHE 62 HE2 PHE 62 7.969 -6.619 -4.107 499 HZ PHE 62 HZ PHE 62 7.286 -4.747 -5.585 500 H THR 63 H THR 63 11.868 -5.847 0.027 501 HA THR 63 HA THR 63 12.751 -7.583 -2.258 502 HB THR 63 HB THR 63 13.581 -7.625 0.662 503 HG1 THR 63 HG1 THR 63 15.053 -6.896 -1.646 504 1HG2 THR 63 1HG2 THR 63 15.340 -9.200 -0.224 505 2HG2 THR 63 2HG2 THR 63 13.700 -9.846 -0.269 506 3HG2 THR 63 3HG2 THR 63 14.451 -9.241 -1.746 507 H LEU 64 H LEU 64 11.760 -9.614 -2.382 508 HA LEU 64 HA LEU 64 9.265 -10.005 -0.943 509 1HB LEU 64 1HB LEU 64 10.947 -11.668 -2.839 510 2HB LEU 64 2HB LEU 64 9.368 -12.190 -2.248 511 HG LEU 64 HG LEU 64 9.642 -9.460 -3.462 512 1HD1 LEU 64 1HD1 LEU 64 9.721 -12.103 -4.884 513 2HD1 LEU 64 2HD1 LEU 64 8.870 -10.749 -5.628 514 3HD1 LEU 64 3HD1 LEU 64 10.589 -10.613 -5.254 515 1HD2 LEU 64 1HD2 LEU 64 7.517 -11.463 -2.860 516 2HD2 LEU 64 2HD2 LEU 64 7.477 -9.706 -2.715 517 3HD2 LEU 64 3HD2 LEU 64 7.289 -10.465 -4.296 518 H GLY 65 H GLY 65 9.053 -10.987 1.029 519 1HA GLY 65 1HA GLY 65 9.461 -12.858 2.532 520 2HA GLY 65 2HA GLY 65 11.073 -13.019 1.834 521 H LYS 66 H LYS 66 10.652 -9.788 2.164 522 HA LYS 66 HA LYS 66 11.544 -9.720 5.021 523 1HB LYS 66 1HB LYS 66 12.881 -8.431 2.617 524 2HB LYS 66 2HB LYS 66 13.391 -8.223 4.293 525 1HG LYS 66 1HG LYS 66 13.777 -10.659 4.475 526 2HG LYS 66 2HG LYS 66 13.292 -10.856 2.790 527 1HD LYS 66 1HD LYS 66 15.139 -9.393 2.075 528 2HD LYS 66 2HD LYS 66 15.623 -9.173 3.758 529 1HE LYS 66 1HE LYS 66 15.478 -11.891 2.409 530 2HE LYS 66 2HE LYS 66 16.969 -10.940 2.558 531 1HZ LYS 66 1HZ LYS 66 16.375 -10.754 4.997 532 2HZ LYS 66 2HZ LYS 66 15.252 -12.001 4.727 533 3HZ LYS 66 3HZ LYS 66 16.909 -12.277 4.472 534 H GLU 67 H GLU 67 10.877 -7.845 6.114 535 HA GLU 67 HA GLU 67 8.679 -6.332 5.043 536 1HB GLU 67 1HB GLU 67 9.125 -6.836 7.441 537 2HB GLU 67 2HB GLU 67 10.532 -5.773 7.383 538 1HG GLU 67 1HG GLU 67 9.072 -3.877 6.766 539 2HG GLU 67 2HG GLU 67 7.666 -4.938 6.846 540 H ALA 68 H ALA 68 8.816 -4.661 3.603 541 HA ALA 68 HA ALA 68 11.334 -3.025 3.569 542 1HB ALA 68 1HB ALA 68 10.703 -4.700 1.650 543 2HB ALA 68 2HB ALA 68 9.536 -3.460 1.193 544 3HB ALA 68 3HB ALA 68 11.259 -3.083 1.220 545 H ASP 69 H ASP 69 11.041 -0.764 3.338 546 HA ASP 69 HA ASP 69 8.422 0.276 4.155 547 1HB ASP 69 1HB ASP 69 11.036 1.622 3.394 548 2HB ASP 69 2HB ASP 69 9.687 2.401 4.220 549 H ILE 70 H ILE 70 6.950 1.303 2.813 550 HA ILE 70 HA ILE 70 7.763 1.759 -0.040 551 HB ILE 70 HB ILE 70 5.398 0.383 1.214 552 1HG1 ILE 70 1HG1 ILE 70 7.298 -0.966 0.425 553 2HG1 ILE 70 2HG1 ILE 70 5.887 -1.251 -0.594 554 1HG2 ILE 70 1HG2 ILE 70 4.590 2.236 -0.314 555 2HG2 ILE 70 2HG2 ILE 70 5.449 1.432 -1.627 556 3HG2 ILE 70 3HG2 ILE 70 4.117 0.612 -0.814 557 1HD1 ILE 70 1HD1 ILE 70 6.933 0.767 -1.985 558 2HD1 ILE 70 2HD1 ILE 70 8.422 0.200 -1.228 559 3HD1 ILE 70 3HD1 ILE 70 7.473 -0.894 -2.235 560 H THR 71 H THR 71 6.915 3.656 -0.981 561 HA THR 71 HA THR 71 5.434 5.478 0.888 562 HB THR 71 HB THR 71 6.577 7.190 -0.770 563 HG1 THR 71 HG1 THR 71 8.442 5.093 -0.910 564 1HG2 THR 71 1HG2 THR 71 8.361 5.669 1.135 565 2HG2 THR 71 2HG2 THR 71 8.397 7.390 0.750 566 3HG2 THR 71 3HG2 THR 71 7.067 6.728 1.700 567 H THR 72 H THR 72 3.480 6.269 0.156 568 HA THR 72 HA THR 72 2.464 5.314 -2.443 569 HB THR 72 HB THR 72 0.833 7.148 -0.818 570 HG1 THR 72 HG1 THR 72 1.950 6.316 0.885 571 1HG2 THR 72 1HG2 THR 72 -0.381 4.699 -0.820 572 2HG2 THR 72 2HG2 THR 72 -0.549 5.890 -2.110 573 3HG2 THR 72 3HG2 THR 72 0.626 4.583 -2.263 574 H MET 73 H MET 73 1.611 6.784 -4.062 575 HA MET 73 HA MET 73 3.234 9.093 -4.593 576 1HB MET 73 1HB MET 73 1.631 7.441 -6.009 577 2HB MET 73 2HB MET 73 0.535 8.809 -5.819 578 1HG MET 73 1HG MET 73 2.426 10.296 -6.635 579 2HG MET 73 2HG MET 73 3.297 8.822 -7.057 580 1HE MET 73 1HE MET 73 0.688 7.025 -7.617 581 2HE MET 73 2HE MET 73 0.652 7.061 -9.379 582 3HE MET 73 3HE MET 73 2.193 6.897 -8.539 583 H ASP 74 H ASP 74 0.422 8.649 -2.639 584 HA ASP 74 HA ASP 74 -0.479 11.447 -2.803 585 1HB ASP 74 1HB ASP 74 -2.137 10.647 -1.168 586 2HB ASP 74 2HB ASP 74 -2.000 9.501 -2.502 587 H GLY 75 H GLY 75 1.920 9.718 -1.093 588 1HA GLY 75 1HA GLY 75 3.522 10.916 0.305 589 2HA GLY 75 2HA GLY 75 2.225 12.012 0.785 590 H LYS 76 H LYS 76 1.879 8.506 0.657 591 HA LYS 76 HA LYS 76 1.410 8.535 3.613 592 1HB LYS 76 1HB LYS 76 0.205 7.278 1.247 593 2HB LYS 76 2HB LYS 76 0.465 6.145 2.574 594 1HG LYS 76 1HG LYS 76 -0.671 7.771 4.110 595 2HG LYS 76 2HG LYS 76 -1.048 8.769 2.704 596 1HD LYS 76 1HD LYS 76 -2.258 6.852 1.691 597 2HD LYS 76 2HD LYS 76 -1.928 5.899 3.139 598 1HE LYS 76 1HE LYS 76 -3.199 7.481 4.516 599 2HE LYS 76 2HE LYS 76 -3.477 8.515 3.100 600 1HZ LYS 76 1HZ LYS 76 -4.290 5.667 3.341 601 2HZ LYS 76 2HZ LYS 76 -5.337 6.996 3.452 602 3HZ LYS 76 3HZ LYS 76 -4.545 6.660 1.986 603 H LYS 77 H LYS 77 2.771 7.341 4.909 604 HA LYS 77 HA LYS 77 4.845 5.658 3.556 605 1HB LYS 77 1HB LYS 77 5.504 7.668 4.913 606 2HB LYS 77 2HB LYS 77 4.788 6.894 6.327 607 1HG LYS 77 1HG LYS 77 6.337 5.026 6.153 608 2HG LYS 77 2HG LYS 77 6.995 5.671 4.648 609 1HD LYS 77 1HD LYS 77 8.544 6.365 6.300 610 2HD LYS 77 2HD LYS 77 7.545 7.792 6.014 611 1HE LYS 77 1HE LYS 77 6.213 7.330 7.999 612 2HE LYS 77 2HE LYS 77 7.058 5.789 8.248 613 1HZ LYS 77 1HZ LYS 77 9.158 7.054 8.333 614 2HZ LYS 77 2HZ LYS 77 8.275 8.500 8.261 615 3HZ LYS 77 3HZ LYS 77 8.098 7.465 9.597 616 H LEU 78 H LEU 78 4.939 3.479 4.047 617 HA LEU 78 HA LEU 78 3.837 2.373 6.513 618 1HB LEU 78 1HB LEU 78 1.981 1.180 5.427 619 2HB LEU 78 2HB LEU 78 1.810 2.917 5.169 620 HG LEU 78 HG LEU 78 3.443 1.711 3.091 621 1HD1 LEU 78 1HD1 LEU 78 1.287 0.095 3.997 622 2HD1 LEU 78 2HD1 LEU 78 0.779 0.826 2.476 623 3HD1 LEU 78 3HD1 LEU 78 2.263 -0.124 2.544 624 1HD2 LEU 78 1HD2 LEU 78 0.966 3.400 3.329 625 2HD2 LEU 78 2HD2 LEU 78 2.524 3.809 2.612 626 3HD2 LEU 78 3HD2 LEU 78 1.417 2.732 1.761 627 H LYS 79 H LYS 79 4.278 0.061 6.660 628 HA LYS 79 HA LYS 79 6.381 -0.830 4.735 629 1HB LYS 79 1HB LYS 79 5.625 -1.933 7.456 630 2HB LYS 79 2HB LYS 79 7.127 -2.209 6.573 631 1HG LYS 79 1HG LYS 79 7.798 0.086 6.833 632 2HG LYS 79 2HG LYS 79 6.214 0.536 7.466 633 1HD LYS 79 1HD LYS 79 6.572 -0.844 9.449 634 2HD LYS 79 2HD LYS 79 8.114 -1.411 8.806 635 1HE LYS 79 1HE LYS 79 7.593 1.542 9.194 636 2HE LYS 79 2HE LYS 79 8.211 0.531 10.516 637 1HZ LYS 79 1HZ LYS 79 9.917 -0.296 8.927 638 2HZ LYS 79 2HZ LYS 79 9.403 0.883 7.818 639 3HZ LYS 79 3HZ LYS 79 10.080 1.349 9.304 640 H CYS 80 H CYS 80 6.361 -3.243 4.273 641 HA CYS 80 HA CYS 80 3.963 -4.811 4.634 642 1HB CYS 80 1HB CYS 80 3.117 -4.609 2.318 643 2HB CYS 80 2HB CYS 80 3.120 -3.039 3.122 644 HG CYS 80 HG CYS 80 4.445 -2.337 1.135 645 H THR 81 H THR 81 4.420 -6.946 4.087 646 HA THR 81 HA THR 81 7.101 -7.475 2.901 647 HB THR 81 HB THR 81 5.162 -9.405 4.199 648 HG1 THR 81 HG1 THR 81 5.502 -7.714 5.630 649 1HG2 THR 81 1HG2 THR 81 8.186 -9.361 3.997 650 2HG2 THR 81 2HG2 THR 81 7.212 -10.637 4.726 651 3HG2 THR 81 3HG2 THR 81 7.119 -10.339 2.990 652 H VAL 82 H VAL 82 6.784 -7.408 0.650 653 HA VAL 82 HA VAL 82 4.448 -8.514 -0.667 654 HB VAL 82 HB VAL 82 7.223 -7.852 -1.706 655 1HG1 VAL 82 1HG1 VAL 82 5.620 -9.208 -3.172 656 2HG1 VAL 82 2HG1 VAL 82 4.585 -7.780 -3.184 657 3HG1 VAL 82 3HG1 VAL 82 6.212 -7.698 -3.862 658 1HG2 VAL 82 1HG2 VAL 82 5.004 -6.199 -0.728 659 2HG2 VAL 82 2HG2 VAL 82 6.677 -5.747 -1.059 660 3HG2 VAL 82 3HG2 VAL 82 5.498 -5.785 -2.370 661 H HIS 83 H HIS 83 4.179 -10.575 -1.527 662 HA HIS 83 HA HIS 83 6.503 -12.460 -1.402 663 1HB HIS 83 1HB HIS 83 4.909 -14.125 -0.431 664 2HB HIS 83 2HB HIS 83 5.133 -12.721 0.612 665 HD1 HIS 83 HD1 HIS 83 3.127 -11.167 0.972 666 HD2 HIS 83 HD2 HIS 83 2.357 -14.206 -1.775 667 HE1 HIS 83 HE1 HIS 83 0.634 -11.115 0.528 668 H LEU 84 H LEU 84 6.167 -14.374 -2.813 669 HA LEU 84 HA LEU 84 4.448 -13.699 -5.167 670 1HB LEU 84 1HB LEU 84 6.958 -15.334 -4.733 671 2HB LEU 84 2HB LEU 84 6.052 -15.393 -6.245 672 HG LEU 84 HG LEU 84 7.110 -12.842 -4.996 673 1HD1 LEU 84 1HD1 LEU 84 8.194 -14.528 -7.274 674 2HD1 LEU 84 2HD1 LEU 84 8.780 -12.921 -6.843 675 3HD1 LEU 84 3HD1 LEU 84 8.970 -14.262 -5.713 676 1HD2 LEU 84 1HD2 LEU 84 5.524 -13.545 -7.432 677 2HD2 LEU 84 2HD2 LEU 84 5.410 -12.125 -6.391 678 3HD2 LEU 84 3HD2 LEU 84 6.713 -12.251 -7.574 679 H ALA 85 H ALA 85 2.717 -15.020 -5.604 680 HA ALA 85 HA ALA 85 2.683 -17.767 -4.408 681 1HB ALA 85 1HB ALA 85 1.355 -15.712 -3.311 682 2HB ALA 85 2HB ALA 85 0.178 -16.142 -4.553 683 3HB ALA 85 3HB ALA 85 0.668 -17.336 -3.350 684 H ASN 86 H ASN 86 2.542 -19.139 -6.143 685 HA ASN 86 HA ASN 86 1.806 -20.053 -8.195 686 1HB ASN 86 1HB ASN 86 -0.419 -18.184 -7.361 687 2HB ASN 86 2HB ASN 86 -0.540 -19.167 -8.821 688 1HD2 ASN 86 2HD2 ASN 86 -2.299 -19.583 -6.589 689 2HD2 ASN 86 1HD2 ASN 86 -1.951 -21.100 -5.913 690 H GLY 87 H GLY 87 3.466 -17.518 -8.107 691 1HA GLY 87 1HA GLY 87 4.441 -16.215 -9.822 692 2HA GLY 87 2HA GLY 87 3.269 -16.895 -10.951 693 H LYS 88 H LYS 88 2.519 -15.236 -7.911 694 HA LYS 88 HA LYS 88 1.478 -12.904 -9.464 695 1HB LYS 88 1HB LYS 88 -0.105 -14.357 -7.330 696 2HB LYS 88 2HB LYS 88 -0.692 -13.158 -8.485 697 1HG LYS 88 1HG LYS 88 -0.243 -14.713 -10.342 698 2HG LYS 88 2HG LYS 88 0.358 -15.913 -9.197 699 1HD LYS 88 1HD LYS 88 -1.887 -15.839 -8.056 700 2HD LYS 88 2HD LYS 88 -2.460 -14.814 -9.373 701 1HE LYS 88 1HE LYS 88 -1.131 -17.089 -10.518 702 2HE LYS 88 2HE LYS 88 -2.327 -17.659 -9.337 703 1HZ LYS 88 1HZ LYS 88 -3.888 -15.996 -10.330 704 2HZ LYS 88 2HZ LYS 88 -2.766 -15.765 -11.581 705 3HZ LYS 88 3HZ LYS 88 -3.488 -17.288 -11.358 706 H LEU 89 H LEU 89 2.280 -11.092 -8.486 707 HA LEU 89 HA LEU 89 3.464 -11.183 -5.818 708 1HB LEU 89 1HB LEU 89 4.189 -9.845 -7.878 709 2HB LEU 89 2HB LEU 89 2.828 -8.774 -7.540 710 HG LEU 89 HG LEU 89 4.707 -9.430 -5.304 711 1HD1 LEU 89 1HD1 LEU 89 5.355 -7.857 -7.753 712 2HD1 LEU 89 2HD1 LEU 89 5.850 -7.176 -6.203 713 3HD1 LEU 89 3HD1 LEU 89 6.424 -8.771 -6.690 714 1HD2 LEU 89 1HD2 LEU 89 3.004 -7.077 -6.160 715 2HD2 LEU 89 2HD2 LEU 89 2.803 -8.097 -4.733 716 3HD2 LEU 89 3HD2 LEU 89 4.160 -6.975 -4.832 717 H VAL 90 H VAL 90 2.362 -10.811 -3.936 718 HA VAL 90 HA VAL 90 -0.122 -9.140 -4.039 719 HB VAL 90 HB VAL 90 0.312 -11.805 -2.649 720 1HG1 VAL 90 1HG1 VAL 90 -1.834 -9.720 -2.501 721 2HG1 VAL 90 2HG1 VAL 90 -2.303 -11.417 -2.406 722 3HG1 VAL 90 3HG1 VAL 90 -1.180 -10.745 -1.224 723 1HG2 VAL 90 1HG2 VAL 90 -0.894 -10.958 -5.224 724 2HG2 VAL 90 2HG2 VAL 90 -0.195 -12.511 -4.767 725 3HG2 VAL 90 3HG2 VAL 90 -1.842 -12.109 -4.283 726 H THR 91 H THR 91 -0.011 -7.533 -2.520 727 HA THR 91 HA THR 91 1.854 -7.915 -0.198 728 HB THR 91 HB THR 91 1.025 -5.450 -1.762 729 HG1 THR 91 HG1 THR 91 3.397 -6.973 -1.549 730 1HG2 THR 91 1HG2 THR 91 3.247 -5.332 0.191 731 2HG2 THR 91 2HG2 THR 91 2.022 -4.124 -0.197 732 3HG2 THR 91 3HG2 THR 91 1.631 -5.460 0.884 733 H LYS 92 H LYS 92 0.053 -8.816 1.073 734 HA LYS 92 HA LYS 92 -2.363 -7.227 1.516 735 1HB LYS 92 1HB LYS 92 -2.814 -9.044 3.149 736 2HB LYS 92 2HB LYS 92 -2.302 -9.693 1.591 737 1HG LYS 92 1HG LYS 92 0.047 -9.804 2.489 738 2HG LYS 92 2HG LYS 92 -0.593 -9.352 4.069 739 1HD LYS 92 1HD LYS 92 -2.090 -11.334 4.009 740 2HD LYS 92 2HD LYS 92 -1.379 -11.802 2.464 741 1HE LYS 92 1HE LYS 92 0.827 -12.041 3.506 742 2HE LYS 92 2HE LYS 92 0.173 -11.484 5.059 743 1HZ LYS 92 1HZ LYS 92 -0.930 -13.790 3.551 744 2HZ LYS 92 2HZ LYS 92 0.221 -13.956 4.786 745 3HZ LYS 92 3HZ LYS 92 -1.313 -13.315 5.136 746 H SER 93 H SER 93 -2.941 -6.551 3.806 747 HA SER 93 HA SER 93 -0.700 -6.003 5.639 748 1HB SER 93 1HB SER 93 -1.754 -4.097 3.669 749 2HB SER 93 2HB SER 93 -1.758 -3.463 5.311 750 HG SER 93 HG SER 93 0.425 -4.579 3.876 751 H GLU 94 H GLU 94 -1.870 -4.105 7.245 752 HA GLU 94 HA GLU 94 -4.287 -5.538 8.244 753 1HB GLU 94 1HB GLU 94 -2.183 -3.711 9.396 754 2HB GLU 94 2HB GLU 94 -3.685 -4.011 10.271 755 1HG GLU 94 1HG GLU 94 -3.206 -6.504 9.949 756 2HG GLU 94 2HG GLU 94 -1.587 -6.023 9.443 757 H LYS 95 H LYS 95 -4.704 -3.868 5.977 758 HA LYS 95 HA LYS 95 -6.900 -2.271 6.746 759 1HB LYS 95 1HB LYS 95 -6.014 -0.128 7.109 760 2HB LYS 95 2HB LYS 95 -4.809 -1.157 7.883 761 1HG LYS 95 1HG LYS 95 -3.865 -1.138 5.333 762 2HG LYS 95 2HG LYS 95 -4.599 0.464 5.414 763 1HD LYS 95 1HD LYS 95 -2.685 -0.606 7.504 764 2HD LYS 95 2HD LYS 95 -2.184 0.400 6.145 765 1HE LYS 95 1HE LYS 95 -3.649 2.216 6.899 766 2HE LYS 95 2HE LYS 95 -4.247 1.203 8.228 767 1HZ LYS 95 1HZ LYS 95 -1.844 0.911 8.862 768 2HZ LYS 95 2HZ LYS 95 -1.481 2.177 7.788 769 3HZ LYS 95 3HZ LYS 95 -2.482 2.463 9.127 770 H PHE 96 H PHE 96 -4.865 -3.567 4.500 771 HA PHE 96 HA PHE 96 -6.449 -2.738 2.241 772 1HB PHE 96 1HB PHE 96 -4.988 -1.148 1.233 773 2HB PHE 96 2HB PHE 96 -5.070 -0.669 2.929 774 HD1 PHE 96 HD1 PHE 96 -3.137 -3.181 0.904 775 HD2 PHE 96 HD2 PHE 96 -3.029 -0.056 3.851 776 HE1 PHE 96 HE1 PHE 96 -0.681 -3.452 1.103 777 HE2 PHE 96 HE2 PHE 96 -0.573 -0.329 4.049 778 HZ PHE 96 HZ PHE 96 0.602 -2.027 2.676 779 H SER 97 H SER 97 -5.955 -4.045 0.442 780 HA SER 97 HA SER 97 -3.577 -5.854 0.739 781 1HB SER 97 1HB SER 97 -6.376 -6.397 -0.301 782 2HB SER 97 2HB SER 97 -5.061 -7.570 -0.312 783 HG SER 97 HG SER 97 -6.614 -7.522 1.552 784 H HIS 98 H HIS 98 -2.577 -6.498 -1.276 785 HA HIS 98 HA HIS 98 -3.443 -4.984 -3.707 786 1HB HIS 98 1HB HIS 98 -1.661 -3.784 -2.405 787 2HB HIS 98 2HB HIS 98 -0.614 -5.186 -2.626 788 HD2 HIS 98 HD2 HIS 98 -1.685 -2.021 -4.581 789 HE1 HIS 98 HE1 HIS 98 0.377 -4.498 -7.327 790 HE2 HIS 98 HE2 HIS 98 -0.603 -2.211 -6.928 791 H GLU 99 H GLU 99 -2.998 -6.089 -5.656 792 HA GLU 99 HA GLU 99 -1.339 -8.528 -5.639 793 1HB GLU 99 1HB GLU 99 -3.574 -9.151 -4.682 794 2HB GLU 99 2HB GLU 99 -4.323 -8.622 -6.189 795 1HG GLU 99 1HG GLU 99 -2.322 -10.289 -7.090 796 2HG GLU 99 2HG GLU 99 -2.839 -11.091 -5.605 797 H GLN 100 H GLN 100 -0.269 -8.398 -7.569 798 HA GLN 100 HA GLN 100 -1.744 -7.278 -9.932 799 1HB GLN 100 1HB GLN 100 -0.042 -5.748 -9.124 800 2HB GLN 100 2HB GLN 100 1.151 -7.046 -9.056 801 1HG GLN 100 1HG GLN 100 0.988 -7.325 -11.504 802 2HG GLN 100 2HG GLN 100 -0.194 -6.017 -11.573 803 1HE2 GLN 100 2HE2 GLN 100 3.225 -6.728 -10.811 804 2HE2 GLN 100 1HE2 GLN 100 3.765 -5.129 -10.991 805 H GLU 101 H GLU 101 -1.036 -8.196 -12.023 806 HA GLU 101 HA GLU 101 0.602 -10.649 -11.982 807 1HB GLU 101 1HB GLU 101 -2.394 -10.552 -12.213 808 2HB GLU 101 2HB GLU 101 -1.504 -11.811 -13.071 809 1HG GLU 101 1HG GLU 101 -0.413 -12.470 -10.941 810 2HG GLU 101 2HG GLU 101 -1.363 -11.248 -10.094 811 H VAL 102 H VAL 102 1.379 -11.135 -14.068 812 HA VAL 102 HA VAL 102 0.578 -9.210 -16.221 813 HB VAL 102 HB VAL 102 2.917 -9.174 -15.309 814 1HG1 VAL 102 1HG1 VAL 102 3.018 -11.625 -14.835 815 2HG1 VAL 102 2HG1 VAL 102 3.080 -11.928 -16.571 816 3HG1 VAL 102 3HG1 VAL 102 4.395 -11.058 -15.780 817 1HG2 VAL 102 1HG2 VAL 102 2.197 -8.701 -17.779 818 2HG2 VAL 102 2HG2 VAL 102 3.913 -8.892 -17.419 819 3HG2 VAL 102 3HG2 VAL 102 3.007 -10.229 -18.129 820 H LYS 103 H LYS 103 -0.074 -10.048 -18.212 821 HA LYS 103 HA LYS 103 0.073 -13.014 -18.595 822 1HB LYS 103 1HB LYS 103 -2.303 -11.149 -18.660 823 2HB LYS 103 2HB LYS 103 -2.334 -12.693 -19.512 824 1HG LYS 103 1HG LYS 103 -1.715 -13.829 -17.365 825 2HG LYS 103 2HG LYS 103 -1.869 -12.274 -16.546 826 1HD LYS 103 1HD LYS 103 -4.222 -12.118 -17.292 827 2HD LYS 103 2HD LYS 103 -4.069 -13.688 -18.083 828 1HE LYS 103 1HE LYS 103 -3.240 -14.445 -15.665 829 2HE LYS 103 2HE LYS 103 -4.216 -13.051 -15.160 830 1HZ LYS 103 1HZ LYS 103 -5.139 -15.190 -17.006 831 2HZ LYS 103 2HZ LYS 103 -5.547 -15.096 -15.359 832 3HZ LYS 103 3HZ LYS 103 -6.064 -13.887 -16.430 833 H GLY 104 H GLY 104 1.643 -12.790 -20.262 834 1HA GLY 104 1HA GLY 104 2.184 -12.649 -22.561 835 2HA GLY 104 2HA GLY 104 0.587 -11.958 -22.858 836 H ASN 105 H ASN 105 0.492 -9.791 -23.250 837 HA ASN 105 HA ASN 105 2.936 -8.167 -22.619 838 1HB ASN 105 1HB ASN 105 0.950 -8.211 -24.893 839 2HB ASN 105 2HB ASN 105 1.968 -6.799 -24.604 840 1HD2 ASN 105 2HD2 ASN 105 1.921 -10.014 -25.922 841 2HD2 ASN 105 1HD2 ASN 105 3.570 -10.099 -26.319 842 H GLU 106 H GLU 106 0.033 -8.710 -21.336 843 HA GLU 106 HA GLU 106 -0.562 -5.807 -20.851 844 1HB GLU 106 1HB GLU 106 -2.304 -8.287 -20.956 845 2HB GLU 106 2HB GLU 106 -2.887 -6.724 -20.383 846 1HG GLU 106 1HG GLU 106 -2.337 -5.698 -22.539 847 2HG GLU 106 2HG GLU 106 -1.681 -7.229 -23.119 848 H MET 107 H MET 107 -1.222 -5.277 -18.645 849 HA MET 107 HA MET 107 -0.410 -7.319 -16.601 850 1HB MET 107 1HB MET 107 1.354 -5.680 -16.877 851 2HB MET 107 2HB MET 107 0.195 -4.353 -16.797 852 1HG MET 107 1HG MET 107 -0.221 -4.704 -14.493 853 2HG MET 107 2HG MET 107 0.496 -6.315 -14.523 854 1HE MET 107 1HE MET 107 2.449 -6.975 -14.685 855 2HE MET 107 2HE MET 107 3.932 -6.113 -15.086 856 3HE MET 107 3HE MET 107 3.455 -6.320 -13.396 857 H VAL 108 H VAL 108 -1.774 -7.439 -14.805 858 HA VAL 108 HA VAL 108 -4.046 -5.479 -14.697 859 HB VAL 108 HB VAL 108 -4.013 -8.477 -14.221 860 1HG1 VAL 108 1HG1 VAL 108 -6.146 -6.363 -13.912 861 2HG1 VAL 108 2HG1 VAL 108 -6.561 -8.052 -14.202 862 3HG1 VAL 108 3HG1 VAL 108 -5.657 -7.602 -12.757 863 1HG2 VAL 108 1HG2 VAL 108 -5.222 -6.768 -16.418 864 2HG2 VAL 108 2HG2 VAL 108 -3.875 -7.891 -16.595 865 3HG2 VAL 108 3HG2 VAL 108 -5.489 -8.501 -16.231 866 H GLU 109 H GLU 109 -4.071 -4.414 -12.759 867 HA GLU 109 HA GLU 109 -2.697 -5.689 -10.421 868 1HB GLU 109 1HB GLU 109 -3.075 -2.902 -11.461 869 2HB GLU 109 2HB GLU 109 -2.862 -3.125 -9.724 870 1HG GLU 109 1HG GLU 109 -0.770 -4.357 -10.123 871 2HG GLU 109 2HG GLU 109 -0.984 -4.169 -11.864 872 H THR 110 H THR 110 -4.175 -6.578 -9.027 873 HA THR 110 HA THR 110 -6.873 -5.309 -8.789 874 HB THR 110 HB THR 110 -5.825 -8.026 -7.927 875 HG1 THR 110 HG1 THR 110 -6.233 -8.626 -9.885 876 1HG2 THR 110 1HG2 THR 110 -8.708 -7.486 -8.401 877 2HG2 THR 110 2HG2 THR 110 -7.940 -8.529 -7.205 878 3HG2 THR 110 3HG2 THR 110 -8.005 -6.786 -6.944 879 H ILE 111 H ILE 111 -7.193 -4.065 -6.989 880 HA ILE 111 HA ILE 111 -5.656 -4.743 -4.504 881 HB ILE 111 HB ILE 111 -6.334 -2.006 -5.631 882 1HG1 ILE 111 1HG1 ILE 111 -3.680 -3.477 -5.489 883 2HG1 ILE 111 2HG1 ILE 111 -4.622 -3.225 -6.959 884 1HG2 ILE 111 1HG2 ILE 111 -6.175 -2.168 -3.137 885 2HG2 ILE 111 2HG2 ILE 111 -4.538 -2.796 -3.318 886 3HG2 ILE 111 3HG2 ILE 111 -4.916 -1.156 -3.843 887 1HD1 ILE 111 1HD1 ILE 111 -4.442 -0.778 -6.650 888 2HD1 ILE 111 2HD1 ILE 111 -3.479 -1.037 -5.196 889 3HD1 ILE 111 3HD1 ILE 111 -2.850 -1.526 -6.769 890 H THR 112 H THR 112 -6.988 -5.019 -2.752 891 HA THR 112 HA THR 112 -9.824 -4.082 -2.990 892 HB THR 112 HB THR 112 -8.567 -6.228 -1.248 893 HG1 THR 112 HG1 THR 112 -9.906 -6.327 -3.740 894 1HG2 THR 112 1HG2 THR 112 -11.468 -5.751 -1.972 895 2HG2 THR 112 2HG2 THR 112 -10.839 -6.936 -0.827 896 3HG2 THR 112 3HG2 THR 112 -10.733 -5.213 -0.462 897 H PHE 113 H PHE 113 -10.588 -2.638 -1.465 898 HA PHE 113 HA PHE 113 -9.238 -2.308 1.133 899 1HB PHE 113 1HB PHE 113 -7.888 -1.046 -0.581 900 2HB PHE 113 2HB PHE 113 -9.312 -0.055 -0.899 901 HD1 PHE 113 HD1 PHE 113 -10.415 1.112 1.147 902 HD2 PHE 113 HD2 PHE 113 -6.418 -0.461 1.154 903 HE1 PHE 113 HE1 PHE 113 -9.851 2.551 3.087 904 HE2 PHE 113 HE2 PHE 113 -5.855 0.977 3.094 905 HZ PHE 113 HZ PHE 113 -7.572 2.484 4.061 906 H GLY 114 H GLY 114 -10.852 -1.859 2.579 907 1HA GLY 114 1HA GLY 114 -12.841 -0.961 3.463 908 2HA GLY 114 2HA GLY 114 -12.925 0.089 2.047 909 H GLY 115 H GLY 115 -12.725 -3.425 1.862 910 1HA GLY 115 1HA GLY 115 -14.329 -5.015 1.186 911 2HA GLY 115 2HA GLY 115 -15.582 -3.819 1.522 912 H VAL 116 H VAL 116 -13.276 -2.416 -0.448 913 HA VAL 116 HA VAL 116 -14.962 -2.939 -2.868 914 HB VAL 116 HB VAL 116 -13.129 -0.636 -2.124 915 1HG1 VAL 116 1HG1 VAL 116 -13.350 -0.984 -4.564 916 2HG1 VAL 116 2HG1 VAL 116 -15.107 -0.956 -4.404 917 3HG1 VAL 116 3HG1 VAL 116 -14.166 0.494 -4.053 918 1HG2 VAL 116 1HG2 VAL 116 -15.179 -0.826 -0.719 919 2HG2 VAL 116 2HG2 VAL 116 -15.207 0.608 -1.744 920 3HG2 VAL 116 3HG2 VAL 116 -16.159 -0.810 -2.185 921 H THR 117 H THR 117 -13.930 -3.582 -4.786 922 HA THR 117 HA THR 117 -10.995 -4.172 -4.566 923 HB THR 117 HB THR 117 -13.189 -5.595 -6.112 924 HG1 THR 117 HG1 THR 117 -13.515 -6.579 -4.308 925 1HG2 THR 117 1HG2 THR 117 -11.276 -7.386 -6.092 926 2HG2 THR 117 2HG2 THR 117 -11.223 -6.079 -7.275 927 3HG2 THR 117 3HG2 THR 117 -10.226 -5.993 -5.822 928 H LEU 118 H LEU 118 -9.730 -3.178 -6.095 929 HA LEU 118 HA LEU 118 -11.107 -1.881 -8.420 930 1HB LEU 118 1HB LEU 118 -10.052 -0.315 -6.920 931 2HB LEU 118 2HB LEU 118 -8.576 -1.280 -6.866 932 HG LEU 118 HG LEU 118 -8.282 -0.884 -9.317 933 1HD1 LEU 118 1HD1 LEU 118 -10.871 0.518 -8.866 934 2HD1 LEU 118 2HD1 LEU 118 -9.730 1.289 -9.968 935 3HD1 LEU 118 3HD1 LEU 118 -10.296 -0.350 -10.289 936 1HD2 LEU 118 1HD2 LEU 118 -7.511 0.680 -7.286 937 2HD2 LEU 118 2HD2 LEU 118 -7.195 1.124 -8.963 938 3HD2 LEU 118 3HD2 LEU 118 -8.564 1.833 -8.106 939 H ILE 119 H ILE 119 -10.208 -2.184 -10.509 940 HA ILE 119 HA ILE 119 -8.076 -4.291 -10.705 941 HB ILE 119 HB ILE 119 -10.497 -3.743 -12.454 942 1HG1 ILE 119 1HG1 ILE 119 -9.866 -6.095 -10.643 943 2HG1 ILE 119 2HG1 ILE 119 -10.957 -4.776 -10.213 944 1HG2 ILE 119 1HG2 ILE 119 -8.111 -5.527 -12.720 945 2HG2 ILE 119 2HG2 ILE 119 -9.672 -6.148 -13.254 946 3HG2 ILE 119 3HG2 ILE 119 -9.018 -4.675 -13.970 947 1HD1 ILE 119 1HD1 ILE 119 -12.311 -5.301 -12.256 948 2HD1 ILE 119 2HD1 ILE 119 -11.276 -6.702 -12.532 949 3HD1 ILE 119 3HD1 ILE 119 -12.280 -6.619 -11.084 950 H ARG 120 H ARG 120 -6.340 -2.817 -11.049 951 HA ARG 120 HA ARG 120 -6.587 -0.731 -13.127 952 1HB ARG 120 1HB ARG 120 -5.416 -0.381 -10.961 953 2HB ARG 120 2HB ARG 120 -4.266 -1.646 -11.395 954 1HG ARG 120 1HG ARG 120 -4.057 -0.132 -13.603 955 2HG ARG 120 2HG ARG 120 -4.524 1.125 -12.458 956 1HD ARG 120 1HD ARG 120 -2.433 -0.759 -11.501 957 2HD ARG 120 2HD ARG 120 -1.947 0.355 -12.794 958 HE ARG 120 HE ARG 120 -3.482 1.612 -10.631 959 1HH1 ARG 120 1HH1 ARG 120 -0.519 0.165 -10.487 960 2HH1 ARG 120 2HH1 ARG 120 0.400 1.609 -10.218 961 1HH2 ARG 120 1HH2 ARG 120 -2.250 3.740 -10.891 962 2HH2 ARG 120 2HH2 ARG 120 -0.580 3.632 -10.448 963 H ARG 121 H ARG 121 -6.272 -1.319 -15.238 964 HA ARG 121 HA ARG 121 -4.564 -3.691 -15.843 965 1HB ARG 121 1HB ARG 121 -6.782 -2.167 -17.183 966 2HB ARG 121 2HB ARG 121 -5.703 -3.160 -18.164 967 1HG ARG 121 1HG ARG 121 -6.207 -5.116 -16.749 968 2HG ARG 121 2HG ARG 121 -7.287 -4.126 -15.765 969 1HD ARG 121 1HD ARG 121 -8.524 -3.600 -17.980 970 2HD ARG 121 2HD ARG 121 -7.643 -4.994 -18.639 971 HE ARG 121 HE ARG 121 -9.262 -5.233 -16.132 972 1HH1 ARG 121 1HH1 ARG 121 -7.460 -7.298 -17.754 973 2HH1 ARG 121 2HH1 ARG 121 -8.719 -8.313 -18.376 974 1HH2 ARG 121 1HH2 ARG 121 -11.262 -6.094 -17.585 975 2HH2 ARG 121 2HH2 ARG 121 -10.871 -7.631 -18.281 976 H SER 122 H SER 122 -2.549 -3.363 -16.706 977 HA SER 122 HA SER 122 -1.964 -0.694 -17.952 978 1HB SER 122 1HB SER 122 -0.149 -2.430 -16.249 979 2HB SER 122 2HB SER 122 0.219 -0.820 -16.862 980 HG SER 122 HG SER 122 -0.525 -0.751 -14.707 981 H LYS 123 H LYS 123 -0.462 -0.765 -19.725 982 HA LYS 123 HA LYS 123 -0.112 -3.494 -20.915 983 1HB LYS 123 1HB LYS 123 -1.535 -1.564 -21.956 984 2HB LYS 123 2HB LYS 123 0.027 -0.868 -22.388 985 1HG LYS 123 1HG LYS 123 0.637 -2.921 -23.586 986 2HG LYS 123 2HG LYS 123 -0.895 -3.662 -23.121 987 1HD LYS 123 1HD LYS 123 -2.124 -1.913 -24.347 988 2HD LYS 123 2HD LYS 123 -0.597 -1.157 -24.805 989 1HE LYS 123 1HE LYS 123 -0.165 -2.722 -26.421 990 2HE LYS 123 2HE LYS 123 -0.824 -4.049 -25.444 991 1HZ LYS 123 1HZ LYS 123 -3.050 -3.169 -25.825 992 2HZ LYS 123 2HZ LYS 123 -2.411 -1.931 -26.799 993 3HZ LYS 123 3HZ LYS 123 -2.296 -3.551 -27.295 994 H ARG 124 H ARG 124 1.935 -3.895 -22.020 995 HA ARG 124 HA ARG 124 4.231 -2.654 -20.670 996 1HB ARG 124 1HB ARG 124 3.929 -5.106 -21.194 997 2HB ARG 124 2HB ARG 124 4.109 -4.705 -22.902 998 1HG ARG 124 1HG ARG 124 6.338 -3.744 -22.441 999 2HG ARG 124 2HG ARG 124 6.162 -4.160 -20.737 1000 1HD ARG 124 1HD ARG 124 5.936 -6.567 -21.379 1001 2HD ARG 124 2HD ARG 124 6.247 -6.111 -23.066 1002 HE ARG 124 HE ARG 124 8.197 -5.755 -20.828 1003 1HH1 ARG 124 1HH1 ARG 124 7.698 -4.433 -23.813 1004 2HH1 ARG 124 2HH1 ARG 124 9.169 -4.996 -24.533 1005 1HH2 ARG 124 1HH2 ARG 124 9.959 -7.109 -21.899 1006 2HH2 ARG 124 2HH2 ARG 124 10.450 -6.512 -23.450 1007 H VAL 125 HN VAL 125 5.578 -1.119 -21.578 1008 HA VAL 125 HA VAL 125 4.921 -0.189 -24.345 1009 HB VAL 125 HB VAL 125 6.362 1.139 -22.025 1010 1HG1 VAL 125 1HG1 VAL 125 6.919 1.889 -24.411 1011 2HG1 VAL 125 2HG1 VAL 125 5.245 2.433 -24.519 1012 3HG1 VAL 125 3HG1 VAL 125 6.328 3.141 -23.320 1013 1HG2 VAL 125 1HG2 VAL 125 3.511 1.020 -22.923 1014 2HG2 VAL 125 2HG2 VAL 125 4.169 1.106 -21.288 1015 3HG2 VAL 125 3HG2 VAL 125 4.112 2.554 -22.293 1016 1H1 JN3 130 1H1 JN3 130 -3.742 1.936 -7.541 1017 2H1 JN3 130 2H1 JN3 130 -3.182 3.225 -8.661 1018 1H2 JN3 130 1H2 JN3 130 -1.023 3.227 -7.599 1019 2H2 JN3 130 2H2 JN3 130 -1.460 1.587 -8.217 1020 H3 JN3 130 H3 JN3 130 -2.214 0.899 -5.866 1021 HO3 JN3 130 HO3 JN3 130 -0.109 1.121 -4.709 1022 1H4 JN3 130 1H4 JN3 130 -1.322 3.700 -5.042 1023 2H4 JN3 130 2H4 JN3 130 -1.904 2.436 -3.943 1024 H5 JN3 130 H5 JN3 130 -4.180 2.449 -5.198 1025 1H6 JN3 130 1H6 JN3 130 -3.943 3.941 -3.188 1026 2H6 JN3 130 2H6 JN3 130 -5.031 4.596 -4.400 1027 H7 JN3 130 H7 JN3 130 -3.499 6.335 -3.484 1028 HO7 JN3 130 HO7 JN3 130 -1.655 5.006 -3.057 1029 H8 JN3 130 H8 JN3 130 -4.344 6.571 -5.787 1030 H9 JN3 130 H9 JN3 130 -1.656 5.091 -6.577 1031 1H11 JN3 130 1H11 JN3 130 -3.881 6.246 -8.385 1032 2H11 JN3 130 2H11 JN3 130 -2.510 5.303 -8.972 1033 1H12 JN3 130 1H12 JN3 130 -2.012 7.711 -9.260 1034 2H12 JN3 130 2H12 JN3 130 -0.937 7.070 -8.015 1035 H14 JN3 130 H14 JN3 130 -1.365 7.501 -5.565 1036 1H15 JN3 130 1H15 JN3 130 -2.430 8.717 -3.824 1037 2H15 JN3 130 2H15 JN3 130 -3.912 8.935 -4.748 1038 1H16 JN3 130 1H16 JN3 130 -1.394 10.456 -4.911 1039 2H16 JN3 130 2H16 JN3 130 -2.988 10.833 -5.659 1040 H17 JN3 130 H17 JN3 130 -0.601 9.346 -6.902 1041 1H18 JN3 130 1H18 JN3 130 -4.450 9.491 -6.843 1042 2H18 JN3 130 2H18 JN3 130 -4.197 9.138 -8.569 1043 3H18 JN3 130 3H18 JN3 130 -4.720 7.845 -7.463 1044 1H19 JN3 130 1H19 JN3 130 -5.486 4.882 -6.353 1045 2H19 JN3 130 2H19 JN3 130 -5.177 4.478 -8.058 1046 3H19 JN3 130 3H19 JN3 130 -5.660 3.203 -6.914 1047 H20 JN3 130 H20 JN3 130 -2.538 11.381 -7.955 1048 1H21 JN3 130 1H21 JN3 130 -1.592 11.314 -10.129 1049 2H21 JN3 130 2H21 JN3 130 -0.714 9.821 -9.721 1050 3H21 JN3 130 3H21 JN3 130 -2.493 9.825 -9.757 1051 1H22 JN3 130 1H22 JN3 130 -0.243 12.341 -8.702 1052 2H22 JN3 130 2H22 JN3 130 0.455 11.115 -7.588 1053 1H23 JN3 130 1H23 JN3 130 0.309 12.734 -5.997 1054 2H23 JN3 130 2H23 JN3 130 -1.413 12.455 -6.000 1055 1H1 JN3 131 1H1 JN3 131 4.817 -4.884 -4.215 1056 2H1 JN3 131 2H1 JN3 131 3.152 -4.863 -3.541 1057 1H2 JN3 131 1H2 JN3 131 2.347 -3.773 -5.529 1058 2H2 JN3 131 2H2 JN3 131 3.172 -5.334 -5.912 1059 H3 JN3 131 H3 JN3 131 5.311 -4.058 -6.516 1060 HO3 JN3 131 HO3 JN3 131 4.196 -2.513 -8.245 1061 1H4 JN3 131 1H4 JN3 131 3.683 -1.551 -5.894 1062 2H4 JN3 131 2H4 JN3 131 5.338 -1.577 -6.530 1063 H5 JN3 131 H5 JN3 131 6.102 -2.820 -4.380 1064 1H6 JN3 131 1H6 JN3 131 6.247 -0.309 -4.396 1065 2H6 JN3 131 2H6 JN3 131 5.928 -0.965 -2.799 1066 H7 JN3 131 H7 JN3 131 4.510 1.026 -3.291 1067 HO7 JN3 131 HO7 JN3 131 3.937 1.113 -5.371 1068 H8 JN3 131 H8 JN3 131 3.666 -0.700 -1.747 1069 H9 JN3 131 H9 JN3 131 2.308 -1.898 -4.347 1070 1H11 JN3 131 1H11 JN3 131 2.122 -2.839 -1.409 1071 2H11 JN3 131 2H11 JN3 131 1.431 -3.710 -2.779 1072 1H12 JN3 131 1H12 JN3 131 -0.341 -2.356 -1.710 1073 2H12 JN3 131 2H12 JN3 131 -0.004 -1.667 -3.301 1074 H14 JN3 131 H14 JN3 131 1.378 0.430 -3.556 1075 1H15 JN3 131 1H15 JN3 131 2.358 2.397 -2.649 1076 2H15 JN3 131 2H15 JN3 131 2.684 1.637 -1.095 1077 1H16 JN3 131 1H16 JN3 131 0.162 2.787 -2.096 1078 2H16 JN3 131 2H16 JN3 131 0.572 2.251 -0.426 1079 H17 JN3 131 H17 JN3 131 -0.838 0.661 -2.650 1080 1H18 JN3 131 1H18 JN3 131 1.585 0.312 0.326 1081 2H18 JN3 131 2H18 JN3 131 0.669 -1.202 0.514 1082 3H18 JN3 131 3H18 JN3 131 2.305 -1.233 -0.186 1083 1H19 JN3 131 1H19 JN3 131 4.998 -2.341 -1.640 1084 2H19 JN3 131 2H19 JN3 131 4.086 -3.865 -1.529 1085 3H19 JN3 131 3H19 JN3 131 5.708 -3.850 -2.263 1086 H20 JN3 131 H20 JN3 131 -1.200 0.255 0.315 1087 1H21 JN3 131 1H21 JN3 131 -3.425 -0.408 -0.173 1088 2H21 JN3 131 2H21 JN3 131 -3.113 -0.235 -1.916 1089 3H21 JN3 131 3H21 JN3 131 -2.233 -1.460 -0.973 1090 1H22 JN3 131 1H22 JN3 131 -3.261 1.893 -0.967 1091 2H22 JN3 131 2H22 JN3 131 -1.641 2.670 -1.012 1092 1H23 JN3 131 1H23 JN3 131 -1.604 2.977 1.301 1093 2H23 JN3 131 2H23 JN3 131 -2.660 1.626 1.624 Start of MODEL 19 1 1H ALA 1 1H ALA 1 6.704 -9.911 -19.596 2 2H ALA 1 2H ALA 1 5.458 -10.903 -19.003 3 3H ALA 1 3H ALA 1 6.921 -11.592 -19.525 4 HA ALA 1 HA ALA 1 6.705 -11.459 -17.055 5 1HB ALA 1 1HB ALA 1 8.849 -10.129 -18.710 6 2HB ALA 1 2HB ALA 1 9.040 -10.310 -16.966 7 3HB ALA 1 3HB ALA 1 8.861 -11.737 -17.987 8 H PHE 2 H PHE 2 7.288 -9.830 -15.266 9 HA PHE 2 HA PHE 2 5.500 -7.528 -15.455 10 1HB PHE 2 1HB PHE 2 7.418 -8.604 -13.367 11 2HB PHE 2 2HB PHE 2 6.365 -7.216 -13.088 12 HD1 PHE 2 HD1 PHE 2 3.928 -7.476 -12.978 13 HD2 PHE 2 HD2 PHE 2 6.510 -10.856 -13.583 14 HE1 PHE 2 HE1 PHE 2 2.051 -9.005 -12.444 15 HE2 PHE 2 HE2 PHE 2 4.632 -12.386 -13.048 16 HZ PHE 2 HZ PHE 2 2.402 -11.460 -12.478 17 H SER 3 H SER 3 8.976 -8.083 -15.631 18 HA SER 3 HA SER 3 9.935 -5.449 -15.180 19 1HB SER 3 1HB SER 3 10.928 -7.938 -15.872 20 2HB SER 3 2HB SER 3 11.268 -6.977 -17.308 21 HG SER 3 HG SER 3 12.963 -6.603 -15.988 22 H GLY 4 H GLY 4 10.304 -3.699 -16.624 23 1HA GLY 4 1HA GLY 4 10.348 -2.893 -18.992 24 2HA GLY 4 2HA GLY 4 8.944 -3.922 -19.280 25 H THR 5 H THR 5 8.852 -1.179 -19.855 26 HA THR 5 HA THR 5 7.610 0.273 -17.635 27 HB THR 5 HB THR 5 7.628 0.897 -20.601 28 HG1 THR 5 HG1 THR 5 9.656 1.485 -20.403 29 1HG2 THR 5 1HG2 THR 5 7.706 3.248 -19.698 30 2HG2 THR 5 2HG2 THR 5 6.214 2.382 -19.330 31 3HG2 THR 5 3HG2 THR 5 7.452 2.575 -18.088 32 H TRP 6 H TRP 6 5.362 0.872 -17.550 33 HA TRP 6 HA TRP 6 3.527 -0.606 -19.392 34 1HB TRP 6 1HB TRP 6 3.618 -0.618 -16.364 35 2HB TRP 6 2HB TRP 6 2.212 -1.168 -17.277 36 HD1 TRP 6 HD1 TRP 6 5.826 -2.070 -16.485 37 HE1 TRP 6 HE1 TRP 6 6.262 -4.501 -17.225 38 HE3 TRP 6 HE3 TRP 6 1.461 -3.039 -18.952 39 HZ2 TRP 6 HZ2 TRP 6 4.935 -6.581 -18.672 40 HZ3 TRP 6 HZ3 TRP 6 1.073 -5.250 -20.000 41 HH2 TRP 6 HH2 TRP 6 2.803 -7.021 -19.864 42 H GLN 7 H GLN 7 1.843 0.694 -20.050 43 HA GLN 7 HA GLN 7 1.583 3.381 -18.790 44 1HB GLN 7 1HB GLN 7 1.942 2.904 -21.291 45 2HB GLN 7 2HB GLN 7 0.278 2.320 -21.306 46 1HG GLN 7 1HG GLN 7 -0.611 4.426 -20.889 47 2HG GLN 7 2HG GLN 7 0.854 5.000 -20.093 48 1HE2 GLN 7 2HE2 GLN 7 -0.368 6.525 -22.180 49 2HE2 GLN 7 1HE2 GLN 7 0.665 6.519 -23.528 50 H VAL 8 H VAL 8 -0.098 3.725 -17.394 51 HA VAL 8 HA VAL 8 -1.965 1.902 -16.472 52 HB VAL 8 HB VAL 8 -1.997 4.892 -16.862 53 1HG1 VAL 8 1HG1 VAL 8 -4.131 3.197 -15.529 54 2HG1 VAL 8 2HG1 VAL 8 -4.008 4.951 -15.387 55 3HG1 VAL 8 3HG1 VAL 8 -4.343 4.215 -16.955 56 1HG2 VAL 8 1HG2 VAL 8 -0.600 3.454 -15.130 57 2HG2 VAL 8 2HG2 VAL 8 -1.360 4.963 -14.624 58 3HG2 VAL 8 3HG2 VAL 8 -2.128 3.420 -14.251 59 H TYR 9 H TYR 9 -3.643 0.826 -17.434 60 HA TYR 9 HA TYR 9 -4.531 1.619 -20.138 61 1HB TYR 9 1HB TYR 9 -4.507 -0.739 -18.385 62 2HB TYR 9 2HB TYR 9 -6.005 -0.572 -19.302 63 HD1 TYR 9 HD1 TYR 9 -5.556 0.263 -21.854 64 HD2 TYR 9 HD2 TYR 9 -2.815 -1.960 -19.406 65 HE1 TYR 9 HE1 TYR 9 -4.404 -0.559 -23.891 66 HE2 TYR 9 HE2 TYR 9 -1.663 -2.782 -21.443 67 HH TYR 9 HH TYR 9 -2.410 -3.135 -23.961 68 H ALA 10 H ALA 10 -6.336 0.608 -17.209 69 HA ALA 10 HA ALA 10 -8.092 2.977 -17.422 70 1HB ALA 10 1HB ALA 10 -8.665 0.732 -18.895 71 2HB ALA 10 2HB ALA 10 -9.567 0.418 -17.413 72 3HB ALA 10 3HB ALA 10 -9.876 1.887 -18.338 73 H GLN 11 H GLN 11 -9.647 3.030 -15.568 74 HA GLN 11 HA GLN 11 -8.875 1.228 -13.306 75 1HB GLN 11 1HB GLN 11 -8.785 3.256 -11.876 76 2HB GLN 11 2HB GLN 11 -7.615 3.347 -13.193 77 1HG GLN 11 1HG GLN 11 -9.408 4.608 -14.510 78 2HG GLN 11 2HG GLN 11 -10.289 4.743 -12.987 79 1HE2 GLN 11 2HE2 GLN 11 -9.981 7.003 -12.617 80 2HE2 GLN 11 1HE2 GLN 11 -8.452 7.703 -12.385 81 H GLU 12 H GLU 12 -10.866 0.145 -13.197 82 HA GLU 12 HA GLU 12 -13.400 1.646 -13.357 83 1HB GLU 12 1HB GLU 12 -13.000 -0.618 -14.357 84 2HB GLU 12 2HB GLU 12 -12.807 -1.264 -12.728 85 1HG GLU 12 1HG GLU 12 -15.081 -0.643 -12.150 86 2HG GLU 12 2HG GLU 12 -15.286 0.187 -13.693 87 H ASN 13 H ASN 13 -14.645 2.211 -11.580 88 HA ASN 13 HA ASN 13 -15.281 2.449 -9.312 89 1HB ASN 13 1HB ASN 13 -13.527 -0.009 -9.002 90 2HB ASN 13 2HB ASN 13 -14.790 0.522 -7.891 91 1HD2 ASN 13 2HD2 ASN 13 -14.907 -2.058 -9.126 92 2HD2 ASN 13 1HD2 ASN 13 -16.217 -2.077 -10.205 93 H TYR 14 H TYR 14 -12.167 2.747 -10.479 94 HA TYR 14 HA TYR 14 -10.281 2.980 -8.558 95 1HB TYR 14 1HB TYR 14 -10.136 3.860 -10.872 96 2HB TYR 14 2HB TYR 14 -11.153 5.225 -10.408 97 HD1 TYR 14 HD1 TYR 14 -7.997 3.477 -9.379 98 HD2 TYR 14 HD2 TYR 14 -10.143 7.189 -9.642 99 HE1 TYR 14 HE1 TYR 14 -5.995 4.691 -8.564 100 HE2 TYR 14 HE2 TYR 14 -8.140 8.403 -8.827 101 HH TYR 14 HH TYR 14 -5.488 7.838 -8.911 102 H GLU 15 H GLU 15 -12.533 5.734 -9.029 103 HA GLU 15 HA GLU 15 -11.973 7.174 -6.709 104 1HB GLU 15 1HB GLU 15 -14.235 8.075 -7.009 105 2HB GLU 15 2HB GLU 15 -13.498 7.797 -8.587 106 1HG GLU 15 1HG GLU 15 -14.638 5.524 -8.591 107 2HG GLU 15 2HG GLU 15 -15.543 6.069 -7.178 108 H GLU 16 H GLU 16 -14.465 4.611 -7.031 109 HA GLU 16 HA GLU 16 -15.380 4.571 -4.365 110 1HB GLU 16 1HB GLU 16 -15.062 2.510 -6.546 111 2HB GLU 16 2HB GLU 16 -15.783 2.079 -4.995 112 1HG GLU 16 1HG GLU 16 -17.355 4.061 -5.321 113 2HG GLU 16 2HG GLU 16 -16.762 4.139 -6.981 114 H PHE 17 H PHE 17 -12.963 2.305 -5.750 115 HA PHE 17 HA PHE 17 -12.099 1.081 -3.392 116 1HB PHE 17 1HB PHE 17 -11.375 0.363 -5.576 117 2HB PHE 17 2HB PHE 17 -10.621 1.925 -5.900 118 HD1 PHE 17 HD1 PHE 17 -10.350 -1.234 -4.016 119 HD2 PHE 17 HD2 PHE 17 -8.491 2.539 -4.892 120 HE1 PHE 17 HE1 PHE 17 -8.234 -2.041 -3.003 121 HE2 PHE 17 HE2 PHE 17 -6.377 1.732 -3.879 122 HZ PHE 17 HZ PHE 17 -6.248 -0.558 -2.935 123 H LEU 18 H LEU 18 -10.547 3.942 -4.912 124 HA LEU 18 HA LEU 18 -8.691 4.522 -2.870 125 1HB LEU 18 1HB LEU 18 -10.210 6.116 -4.924 126 2HB LEU 18 2HB LEU 18 -9.112 6.935 -3.812 127 HG LEU 18 HG LEU 18 -8.239 4.517 -5.394 128 1HD1 LEU 18 1HD1 LEU 18 -8.544 7.363 -6.256 129 2HD1 LEU 18 2HD1 LEU 18 -7.098 6.497 -6.777 130 3HD1 LEU 18 3HD1 LEU 18 -8.696 5.882 -7.202 131 1HD2 LEU 18 1HD2 LEU 18 -6.987 6.623 -3.686 132 2HD2 LEU 18 2HD2 LEU 18 -6.598 4.909 -3.817 133 3HD2 LEU 18 3HD2 LEU 18 -6.052 6.033 -5.061 134 H LYS 19 H LYS 19 -12.045 5.729 -3.229 135 HA LYS 19 HA LYS 19 -12.245 7.464 -1.067 136 1HB LYS 19 1HB LYS 19 -14.041 5.521 -2.454 137 2HB LYS 19 2HB LYS 19 -14.637 6.250 -0.961 138 1HG LYS 19 1HG LYS 19 -14.384 8.468 -1.837 139 2HG LYS 19 2HG LYS 19 -13.481 7.879 -3.234 140 1HD LYS 19 1HD LYS 19 -15.452 6.724 -4.079 141 2HD LYS 19 2HD LYS 19 -16.365 7.162 -2.636 142 1HE LYS 19 1HE LYS 19 -16.363 9.486 -3.219 143 2HE LYS 19 2HE LYS 19 -15.139 9.236 -4.479 144 1HZ LYS 19 1HZ LYS 19 -17.848 8.012 -4.440 145 2HZ LYS 19 2HZ LYS 19 -17.374 9.307 -5.429 146 3HZ LYS 19 3HZ LYS 19 -16.668 7.776 -5.641 147 H ALA 20 H ALA 20 -12.427 3.900 -0.979 148 HA ALA 20 HA ALA 20 -13.005 3.678 1.829 149 1HB ALA 20 1HB ALA 20 -12.906 2.032 -0.343 150 2HB ALA 20 2HB ALA 20 -11.416 1.567 0.480 151 3HB ALA 20 3HB ALA 20 -12.963 1.444 1.319 152 H LEU 21 H LEU 21 -10.038 4.173 0.021 153 HA LEU 21 HA LEU 21 -8.140 3.307 1.979 154 1HB LEU 21 1HB LEU 21 -8.220 4.523 -0.570 155 2HB LEU 21 2HB LEU 21 -7.286 5.616 0.452 156 HG LEU 21 HG LEU 21 -6.014 3.526 1.239 157 1HD1 LEU 21 1HD1 LEU 21 -7.775 1.979 0.235 158 2HD1 LEU 21 2HD1 LEU 21 -7.109 2.393 -1.345 159 3HD1 LEU 21 3HD1 LEU 21 -6.102 1.576 -0.150 160 1HD2 LEU 21 1HD2 LEU 21 -5.854 4.579 -1.597 161 2HD2 LEU 21 2HD2 LEU 21 -4.912 5.100 -0.200 162 3HD2 LEU 21 3HD2 LEU 21 -4.635 3.508 -0.906 163 H ALA 22 H ALA 22 -10.208 6.096 1.844 164 HA ALA 22 HA ALA 22 -10.586 7.688 3.585 165 1HB ALA 22 1HB ALA 22 -9.363 5.653 4.839 166 2HB ALA 22 2HB ALA 22 -8.071 6.848 4.958 167 3HB ALA 22 3HB ALA 22 -9.658 7.195 5.645 168 H LEU 23 H LEU 23 -8.849 8.022 1.160 169 HA LEU 23 HA LEU 23 -6.594 9.703 1.937 170 1HB LEU 23 1HB LEU 23 -8.056 8.999 -0.611 171 2HB LEU 23 2HB LEU 23 -6.752 10.187 -0.608 172 HG LEU 23 HG LEU 23 -6.512 7.346 0.425 173 1HD1 LEU 23 1HD1 LEU 23 -6.719 7.960 -2.170 174 2HD1 LEU 23 2HD1 LEU 23 -5.017 8.364 -1.950 175 3HD1 LEU 23 3HD1 LEU 23 -5.588 6.734 -1.598 176 1HD2 LEU 23 1HD2 LEU 23 -4.688 9.728 0.317 177 2HD2 LEU 23 2HD2 LEU 23 -4.894 8.540 1.603 178 3HD2 LEU 23 3HD2 LEU 23 -3.997 8.115 0.146 179 HA PRO 24 HA PRO 24 -8.601 13.596 2.172 180 1HB PRO 24 1HB PRO 24 -6.869 15.253 0.850 181 2HB PRO 24 2HB PRO 24 -6.516 14.563 2.447 182 1HG PRO 24 1HG PRO 24 -5.547 13.718 -0.235 183 2HG PRO 24 2HG PRO 24 -4.692 13.757 1.314 184 1HD PRO 24 1HD PRO 24 -5.709 11.478 0.197 185 2HD PRO 24 2HD PRO 24 -5.473 11.704 1.945 186 H GLU 25 H GLU 25 -10.166 14.737 1.011 187 HA GLU 25 HA GLU 25 -10.977 13.864 -1.581 188 1HB GLU 25 1HB GLU 25 -12.326 14.992 0.239 189 2HB GLU 25 2HB GLU 25 -11.551 16.511 -0.216 190 1HG GLU 25 1HG GLU 25 -13.561 16.523 -1.453 191 2HG GLU 25 2HG GLU 25 -12.359 15.963 -2.617 192 H ASP 26 H ASP 26 -8.976 16.612 -0.541 193 HA ASP 26 HA ASP 26 -8.835 18.026 -3.002 194 1HB ASP 26 1HB ASP 26 -6.929 17.624 -0.682 195 2HB ASP 26 2HB ASP 26 -6.607 18.771 -1.983 196 H LEU 27 H LEU 27 -7.172 15.114 -1.903 197 HA LEU 27 HA LEU 27 -5.329 15.124 -4.216 198 1HB LEU 27 1HB LEU 27 -4.528 14.404 -2.040 199 2HB LEU 27 2HB LEU 27 -5.848 13.243 -1.893 200 HG LEU 27 HG LEU 27 -4.968 12.101 -3.961 201 1HD1 LEU 27 1HD1 LEU 27 -2.979 14.306 -3.654 202 2HD1 LEU 27 2HD1 LEU 27 -2.375 12.733 -4.177 203 3HD1 LEU 27 3HD1 LEU 27 -3.612 13.561 -5.122 204 1HD2 LEU 27 1HD2 LEU 27 -4.184 11.867 -1.321 205 2HD2 LEU 27 2HD2 LEU 27 -3.770 10.729 -2.603 206 3HD2 LEU 27 3HD2 LEU 27 -2.642 12.012 -2.164 207 H ILE 28 H ILE 28 -8.415 13.784 -3.315 208 HA ILE 28 HA ILE 28 -8.364 11.563 -5.215 209 HB ILE 28 HB ILE 28 -10.517 12.966 -3.604 210 1HG1 ILE 28 1HG1 ILE 28 -9.167 10.268 -3.263 211 2HG1 ILE 28 2HG1 ILE 28 -8.751 11.719 -2.349 212 1HG2 ILE 28 1HG2 ILE 28 -10.660 10.840 -5.665 213 2HG2 ILE 28 2HG2 ILE 28 -11.542 10.515 -4.174 214 3HG2 ILE 28 3HG2 ILE 28 -11.905 11.961 -5.116 215 1HD1 ILE 28 1HD1 ILE 28 -11.588 10.700 -2.429 216 2HD1 ILE 28 2HD1 ILE 28 -10.423 10.050 -1.276 217 3HD1 ILE 28 3HD1 ILE 28 -10.834 11.764 -1.242 218 H LYS 29 H LYS 29 -9.778 14.840 -5.143 219 HA LYS 29 HA LYS 29 -11.055 14.588 -7.744 220 1HB LYS 29 1HB LYS 29 -10.290 17.018 -6.091 221 2HB LYS 29 2HB LYS 29 -11.489 16.980 -7.385 222 1HG LYS 29 1HG LYS 29 -12.525 15.026 -5.926 223 2HG LYS 29 2HG LYS 29 -11.642 15.826 -4.625 224 1HD LYS 29 1HD LYS 29 -13.373 17.434 -6.490 225 2HD LYS 29 2HD LYS 29 -14.092 16.582 -5.123 226 1HE LYS 29 1HE LYS 29 -13.019 17.918 -3.549 227 2HE LYS 29 2HE LYS 29 -11.665 18.286 -4.636 228 1HZ LYS 29 1HZ LYS 29 -14.455 19.159 -5.150 229 2HZ LYS 29 2HZ LYS 29 -13.308 20.136 -4.364 230 3HZ LYS 29 3HZ LYS 29 -13.054 19.647 -5.972 231 H MET 30 H MET 30 -7.876 15.506 -6.611 232 HA MET 30 HA MET 30 -7.131 16.814 -9.151 233 1HB MET 30 1HB MET 30 -6.376 17.505 -6.839 234 2HB MET 30 2HB MET 30 -5.443 16.009 -6.762 235 1HG MET 30 1HG MET 30 -3.904 17.652 -7.529 236 2HG MET 30 2HG MET 30 -4.369 16.752 -8.973 237 1HE MET 30 1HE MET 30 -4.971 19.435 -6.639 238 2HE MET 30 2HE MET 30 -5.229 20.910 -7.581 239 3HE MET 30 3HE MET 30 -6.595 19.882 -7.156 240 H ALA 31 H ALA 31 -6.737 13.699 -7.543 241 HA ALA 31 HA ALA 31 -4.973 12.759 -9.768 242 1HB ALA 31 1HB ALA 31 -5.383 12.157 -6.892 243 2HB ALA 31 2HB ALA 31 -5.042 10.760 -7.913 244 3HB ALA 31 3HB ALA 31 -3.903 12.104 -7.849 245 H ARG 32 H ARG 32 -8.170 12.974 -9.268 246 HA ARG 32 HA ARG 32 -9.142 10.280 -9.574 247 1HB ARG 32 1HB ARG 32 -11.237 11.414 -10.044 248 2HB ARG 32 2HB ARG 32 -10.390 12.338 -8.802 249 1HG ARG 32 1HG ARG 32 -9.464 13.808 -10.620 250 2HG ARG 32 2HG ARG 32 -10.498 12.955 -11.767 251 1HD ARG 32 1HD ARG 32 -11.858 13.974 -9.325 252 2HD ARG 32 2HD ARG 32 -11.308 15.200 -10.485 253 HE ARG 32 HE ARG 32 -12.567 13.945 -12.244 254 1HH1 ARG 32 1HH1 ARG 32 -13.820 14.381 -9.182 255 2HH1 ARG 32 2HH1 ARG 32 -15.097 13.221 -9.336 256 1HH2 ARG 32 1HH2 ARG 32 -13.938 11.951 -12.348 257 2HH2 ARG 32 2HH2 ARG 32 -15.164 11.845 -11.129 258 H ASP 33 H ASP 33 -7.409 12.262 -11.706 259 HA ASP 33 HA ASP 33 -8.120 10.488 -13.990 260 1HB ASP 33 1HB ASP 33 -9.534 12.624 -13.893 261 2HB ASP 33 2HB ASP 33 -8.041 13.505 -14.218 262 H ILE 34 H ILE 34 -5.779 10.079 -12.806 263 HA ILE 34 HA ILE 34 -3.783 11.551 -14.496 264 HB ILE 34 HB ILE 34 -3.923 10.959 -11.564 265 1HG1 ILE 34 1HG1 ILE 34 -2.811 13.231 -13.244 266 2HG1 ILE 34 2HG1 ILE 34 -4.362 13.224 -12.403 267 1HG2 ILE 34 1HG2 ILE 34 -1.594 10.444 -13.262 268 2HG2 ILE 34 2HG2 ILE 34 -1.261 11.625 -11.995 269 3HG2 ILE 34 3HG2 ILE 34 -1.863 10.022 -11.572 270 1HD1 ILE 34 1HD1 ILE 34 -3.031 12.798 -10.258 271 2HD1 ILE 34 2HD1 ILE 34 -1.592 13.207 -11.191 272 3HD1 ILE 34 3HD1 ILE 34 -2.867 14.404 -10.967 273 H LYS 35 H LYS 35 -3.127 10.008 -15.965 274 HA LYS 35 HA LYS 35 -2.997 7.157 -15.202 275 1HB LYS 35 1HB LYS 35 -2.343 8.647 -17.766 276 2HB LYS 35 2HB LYS 35 -2.507 6.898 -17.610 277 1HG LYS 35 1HG LYS 35 -4.671 7.291 -18.206 278 2HG LYS 35 2HG LYS 35 -4.859 7.728 -16.508 279 1HD LYS 35 1HD LYS 35 -4.097 10.097 -17.266 280 2HD LYS 35 2HD LYS 35 -4.512 9.540 -18.888 281 1HE LYS 35 1HE LYS 35 -6.417 9.428 -16.522 282 2HE LYS 35 2HE LYS 35 -6.429 10.700 -17.761 283 1HZ LYS 35 1HZ LYS 35 -6.480 8.807 -19.421 284 2HZ LYS 35 2HZ LYS 35 -6.884 7.796 -18.121 285 3HZ LYS 35 3HZ LYS 35 -7.912 9.080 -18.547 286 HA PRO 36 HA PRO 36 1.348 8.446 -14.312 287 1HB PRO 36 1HB PRO 36 1.594 6.942 -12.039 288 2HB PRO 36 2HB PRO 36 0.929 8.589 -12.041 289 1HG PRO 36 1HG PRO 36 -0.488 5.975 -11.934 290 2HG PRO 36 2HG PRO 36 -0.860 7.497 -11.109 291 1HD PRO 36 1HD PRO 36 -2.178 6.613 -13.336 292 2HD PRO 36 2HD PRO 36 -2.025 8.327 -12.890 293 H ILE 37 H ILE 37 3.120 7.216 -14.984 294 HA ILE 37 HA ILE 37 2.571 4.494 -15.986 295 HB ILE 37 HB ILE 37 5.020 6.287 -16.080 296 1HG1 ILE 37 1HG1 ILE 37 3.467 5.842 -18.532 297 2HG1 ILE 37 2HG1 ILE 37 2.552 6.679 -17.277 298 1HG2 ILE 37 1HG2 ILE 37 4.331 3.624 -17.275 299 2HG2 ILE 37 2HG2 ILE 37 5.338 4.738 -18.199 300 3HG2 ILE 37 3HG2 ILE 37 5.864 4.185 -16.610 301 1HD1 ILE 37 1HD1 ILE 37 4.921 7.992 -17.094 302 2HD1 ILE 37 2HD1 ILE 37 4.919 7.589 -18.811 303 3HD1 ILE 37 3HD1 ILE 37 3.592 8.527 -18.124 304 H VAL 38 H VAL 38 4.216 2.752 -15.510 305 HA VAL 38 HA VAL 38 5.559 3.044 -12.859 306 HB VAL 38 HB VAL 38 3.523 0.955 -13.694 307 1HG1 VAL 38 1HG1 VAL 38 5.540 1.034 -11.471 308 2HG1 VAL 38 2HG1 VAL 38 3.978 0.265 -11.191 309 3HG1 VAL 38 3HG1 VAL 38 5.037 -0.329 -12.470 310 1HG2 VAL 38 1HG2 VAL 38 2.986 3.369 -12.693 311 2HG2 VAL 38 2HG2 VAL 38 2.083 1.945 -12.174 312 3HG2 VAL 38 3HG2 VAL 38 3.398 2.568 -11.177 313 H GLU 39 H GLU 39 7.656 2.467 -13.281 314 HA GLU 39 HA GLU 39 8.263 0.574 -15.480 315 1HB GLU 39 1HB GLU 39 9.383 2.882 -14.732 316 2HB GLU 39 2HB GLU 39 10.318 1.809 -13.690 317 1HG GLU 39 1HG GLU 39 11.173 0.583 -15.537 318 2HG GLU 39 2HG GLU 39 9.979 1.265 -16.642 319 H ILE 40 H ILE 40 9.112 -1.486 -15.124 320 HA ILE 40 HA ILE 40 9.502 -2.320 -12.267 321 HB ILE 40 HB ILE 40 8.267 -3.858 -14.575 322 1HG1 ILE 40 1HG1 ILE 40 6.961 -2.700 -12.093 323 2HG1 ILE 40 2HG1 ILE 40 6.889 -1.951 -13.688 324 1HG2 ILE 40 1HG2 ILE 40 8.561 -4.518 -11.628 325 2HG2 ILE 40 2HG2 ILE 40 7.654 -5.479 -12.796 326 3HG2 ILE 40 3HG2 ILE 40 9.403 -5.313 -12.958 327 1HD1 ILE 40 1HD1 ILE 40 5.949 -4.173 -14.535 328 2HD1 ILE 40 2HD1 ILE 40 5.755 -4.624 -12.842 329 3HD1 ILE 40 3HD1 ILE 40 4.884 -3.234 -13.490 330 H GLN 41 H GLN 41 11.494 -3.228 -11.911 331 HA GLN 41 HA GLN 41 12.974 -4.356 -14.264 332 1HB GLN 41 1HB GLN 41 13.711 -2.067 -13.565 333 2HB GLN 41 2HB GLN 41 14.073 -2.710 -11.963 334 1HG GLN 41 1HG GLN 41 15.719 -4.244 -12.903 335 2HG GLN 41 2HG GLN 41 15.305 -3.731 -14.539 336 1HE2 GLN 41 2HE2 GLN 41 17.056 -2.495 -15.260 337 2HE2 GLN 41 1HE2 GLN 41 17.782 -1.241 -14.375 338 H GLN 42 H GLN 42 11.775 -6.301 -13.067 339 HA GLN 42 HA GLN 42 12.732 -7.238 -10.535 340 1HB GLN 42 1HB GLN 42 10.687 -7.979 -11.768 341 2HB GLN 42 2HB GLN 42 11.724 -8.782 -12.947 342 1HG GLN 42 1HG GLN 42 12.719 -10.121 -11.072 343 2HG GLN 42 2HG GLN 42 11.524 -9.406 -9.989 344 1HE2 GLN 42 2HE2 GLN 42 11.622 -12.246 -10.550 345 2HE2 GLN 42 1HE2 GLN 42 10.198 -12.660 -11.375 346 H LYS 43 H LYS 43 14.077 -9.310 -10.336 347 HA LYS 43 HA LYS 43 15.983 -9.947 -12.449 348 1HB LYS 43 1HB LYS 43 16.594 -8.013 -10.242 349 2HB LYS 43 2HB LYS 43 17.878 -9.091 -10.790 350 1HG LYS 43 1HG LYS 43 17.120 -8.314 -13.186 351 2HG LYS 43 2HG LYS 43 16.433 -6.945 -12.313 352 1HD LYS 43 1HD LYS 43 19.283 -7.815 -11.847 353 2HD LYS 43 2HD LYS 43 18.868 -6.720 -13.166 354 1HE LYS 43 1HE LYS 43 17.810 -5.169 -11.541 355 2HE LYS 43 2HE LYS 43 18.283 -6.255 -10.219 356 1HZ LYS 43 1HZ LYS 43 20.585 -6.074 -10.941 357 2HZ LYS 43 2HZ LYS 43 20.133 -5.012 -12.189 358 3HZ LYS 43 3HZ LYS 43 19.961 -4.543 -10.564 359 H GLY 44 H GLY 44 14.249 -11.548 -10.881 360 1HA GLY 44 1HA GLY 44 15.035 -13.833 -10.169 361 2HA GLY 44 2HA GLY 44 16.202 -13.003 -9.139 362 H ASP 45 H ASP 45 15.565 -12.414 -7.094 363 HA ASP 45 HA ASP 45 12.717 -12.984 -6.361 364 1HB ASP 45 1HB ASP 45 15.391 -13.136 -4.989 365 2HB ASP 45 2HB ASP 45 13.922 -13.002 -4.021 366 H ASP 46 H ASP 46 14.764 -10.411 -7.002 367 HA ASP 46 HA ASP 46 13.555 -8.626 -4.939 368 1HB ASP 46 1HB ASP 46 16.025 -8.713 -5.303 369 2HB ASP 46 2HB ASP 46 15.773 -8.180 -6.966 370 H PHE 47 H PHE 47 12.410 -6.725 -5.596 371 HA PHE 47 HA PHE 47 11.681 -6.574 -8.499 372 1HB PHE 47 1HB PHE 47 10.051 -7.035 -6.072 373 2HB PHE 47 2HB PHE 47 9.397 -5.835 -7.186 374 HD1 PHE 47 HD1 PHE 47 10.897 -9.271 -7.164 375 HD2 PHE 47 HD2 PHE 47 8.166 -6.539 -9.045 376 HE1 PHE 47 HE1 PHE 47 10.119 -11.084 -8.667 377 HE2 PHE 47 HE2 PHE 47 7.387 -8.353 -10.548 378 HZ PHE 47 HZ PHE 47 8.364 -10.625 -10.357 379 H VAL 48 H VAL 48 11.756 -4.490 -9.290 380 HA VAL 48 HA VAL 48 11.996 -2.260 -7.293 381 HB VAL 48 HB VAL 48 13.270 -2.611 -10.028 382 1HG1 VAL 48 1HG1 VAL 48 13.335 -0.422 -7.954 383 2HG1 VAL 48 2HG1 VAL 48 14.681 -0.649 -9.071 384 3HG1 VAL 48 3HG1 VAL 48 13.071 -0.285 -9.693 385 1HG2 VAL 48 1HG2 VAL 48 14.074 -4.094 -8.091 386 2HG2 VAL 48 2HG2 VAL 48 15.302 -3.101 -8.877 387 3HG2 VAL 48 3HG2 VAL 48 14.627 -2.606 -7.323 388 H VAL 49 H VAL 49 10.028 -1.206 -7.379 389 HA VAL 49 HA VAL 49 8.787 -0.759 -10.071 390 HB VAL 49 HB VAL 49 7.652 -0.755 -7.255 391 1HG1 VAL 49 1HG1 VAL 49 6.581 0.101 -9.881 392 2HG1 VAL 49 2HG1 VAL 49 5.519 -0.943 -8.935 393 3HG1 VAL 49 3HG1 VAL 49 6.093 0.580 -8.255 394 1HG2 VAL 49 1HG2 VAL 49 7.913 -2.780 -9.421 395 2HG2 VAL 49 2HG2 VAL 49 7.857 -3.005 -7.673 396 3HG2 VAL 49 3HG2 VAL 49 6.366 -2.732 -8.574 397 H THR 50 H THR 50 8.744 1.334 -10.806 398 HA THR 50 HA THR 50 9.186 3.535 -8.813 399 HB THR 50 HB THR 50 10.242 3.188 -11.638 400 HG1 THR 50 HG1 THR 50 12.065 2.646 -10.691 401 1HG2 THR 50 1HG2 THR 50 11.341 5.322 -9.944 402 2HG2 THR 50 2HG2 THR 50 10.871 5.364 -11.643 403 3HG2 THR 50 3HG2 THR 50 9.651 5.567 -10.385 404 H SER 51 H SER 51 7.147 4.465 -8.697 405 HA SER 51 HA SER 51 5.464 4.701 -11.113 406 1HB SER 51 1HB SER 51 5.163 5.434 -8.189 407 2HB SER 51 2HB SER 51 3.902 5.718 -9.386 408 HG SER 51 HG SER 51 5.045 3.258 -8.561 409 H LYS 52 H LYS 52 5.198 6.605 -12.261 410 HA LYS 52 HA LYS 52 6.462 9.088 -11.147 411 1HB LYS 52 1HB LYS 52 6.615 7.821 -13.894 412 2HB LYS 52 2HB LYS 52 7.084 9.495 -13.599 413 1HG LYS 52 1HG LYS 52 8.698 8.720 -11.878 414 2HG LYS 52 2HG LYS 52 8.263 7.051 -12.245 415 1HD LYS 52 1HD LYS 52 9.240 8.947 -14.384 416 2HD LYS 52 2HD LYS 52 10.353 7.978 -13.419 417 1HE LYS 52 1HE LYS 52 9.116 5.917 -14.127 418 2HE LYS 52 2HE LYS 52 8.120 6.928 -15.194 419 1HZ LYS 52 1HZ LYS 52 11.091 6.874 -15.236 420 2HZ LYS 52 2HZ LYS 52 10.110 5.997 -16.312 421 3HZ LYS 52 3HZ LYS 52 10.073 7.696 -16.317 422 H THR 53 H THR 53 4.842 10.574 -10.883 423 HA THR 53 HA THR 53 2.451 10.443 -12.666 424 HB THR 53 HB THR 53 2.290 12.357 -10.520 425 HG1 THR 53 HG1 THR 53 2.994 9.745 -9.697 426 1HG2 THR 53 1HG2 THR 53 0.875 9.935 -9.965 427 2HG2 THR 53 2HG2 THR 53 0.232 11.462 -10.568 428 3HG2 THR 53 3HG2 THR 53 0.798 10.234 -11.701 429 HA PRO 54 HA PRO 54 3.439 14.221 -14.664 430 1HB PRO 54 1HB PRO 54 1.033 15.525 -14.736 431 2HB PRO 54 2HB PRO 54 1.390 14.101 -15.733 432 1HG PRO 54 1HG PRO 54 -0.167 14.300 -13.207 433 2HG PRO 54 2HG PRO 54 -0.459 13.300 -14.638 434 1HD PRO 54 1HD PRO 54 0.648 12.356 -12.324 435 2HD PRO 54 2HD PRO 54 0.944 11.642 -13.924 436 H ARG 55 H ARG 55 1.780 14.460 -11.565 437 HA ARG 55 HA ARG 55 2.701 17.272 -11.210 438 1HB ARG 55 1HB ARG 55 0.356 16.612 -10.726 439 2HB ARG 55 2HB ARG 55 0.941 15.459 -9.525 440 1HG ARG 55 1HG ARG 55 2.114 18.066 -9.070 441 2HG ARG 55 2HG ARG 55 0.354 18.183 -9.109 442 1HD ARG 55 1HD ARG 55 0.521 15.999 -7.583 443 2HD ARG 55 2HD ARG 55 2.107 16.695 -7.191 444 HE ARG 55 HE ARG 55 0.628 18.892 -6.902 445 1HH1 ARG 55 1HH1 ARG 55 1.020 16.417 -4.863 446 2HH1 ARG 55 2HH1 ARG 55 -0.524 16.503 -4.083 447 1HH2 ARG 55 1HH2 ARG 55 -1.878 18.682 -6.417 448 2HH2 ARG 55 2HH2 ARG 55 -2.164 17.785 -4.963 449 H GLN 56 H GLN 56 3.472 14.018 -10.276 450 HA GLN 56 HA GLN 56 5.835 14.930 -8.803 451 1HB GLN 56 1HB GLN 56 5.095 13.905 -6.665 452 2HB GLN 56 2HB GLN 56 4.021 15.215 -7.156 453 1HG GLN 56 1HG GLN 56 2.271 13.803 -7.586 454 2HG GLN 56 2HG GLN 56 3.324 12.509 -8.162 455 1HE2 GLN 56 2HE2 GLN 56 3.391 14.242 -5.008 456 2HE2 GLN 56 1HE2 GLN 56 3.169 12.847 -4.067 457 H THR 57 H THR 57 7.203 13.064 -8.180 458 HA THR 57 HA THR 57 6.434 10.518 -9.571 459 HB THR 57 HB THR 57 8.990 10.468 -10.048 460 HG1 THR 57 HG1 THR 57 9.972 12.098 -9.188 461 1HG2 THR 57 1HG2 THR 57 8.673 12.006 -12.023 462 2HG2 THR 57 2HG2 THR 57 7.405 10.794 -11.836 463 3HG2 THR 57 3HG2 THR 57 7.113 12.462 -11.340 464 H VAL 58 H VAL 58 6.562 8.776 -8.209 465 HA VAL 58 HA VAL 58 8.334 8.998 -5.795 466 HB VAL 58 HB VAL 58 5.596 7.718 -6.098 467 1HG1 VAL 58 1HG1 VAL 58 7.168 6.618 -4.462 468 2HG1 VAL 58 2HG1 VAL 58 7.257 8.153 -3.599 469 3HG1 VAL 58 3HG1 VAL 58 5.720 7.296 -3.718 470 1HG2 VAL 58 1HG2 VAL 58 6.573 10.367 -5.099 471 2HG2 VAL 58 2HG2 VAL 58 5.100 9.981 -5.986 472 3HG2 VAL 58 3HG2 VAL 58 5.214 9.613 -4.266 473 H THR 59 H THR 59 9.874 7.410 -5.791 474 HA THR 59 HA THR 59 9.380 4.951 -7.430 475 HB THR 59 HB THR 59 11.966 6.187 -6.430 476 HG1 THR 59 HG1 THR 59 12.026 7.268 -8.268 477 1HG2 THR 59 1HG2 THR 59 12.630 4.738 -8.602 478 2HG2 THR 59 2HG2 THR 59 12.627 4.062 -6.973 479 3HG2 THR 59 3HG2 THR 59 11.249 3.794 -8.040 480 H ASN 60 H ASN 60 9.680 2.918 -6.448 481 HA ASN 60 HA ASN 60 10.512 2.865 -3.580 482 1HB ASN 60 1HB ASN 60 7.979 1.714 -4.796 483 2HB ASN 60 2HB ASN 60 8.506 1.437 -3.137 484 1HD2 ASN 60 2HD2 ASN 60 6.355 3.275 -4.791 485 2HD2 ASN 60 1HD2 ASN 60 6.347 4.674 -3.831 486 H SER 61 H SER 61 11.469 0.867 -2.970 487 HA SER 61 HA SER 61 11.653 -1.251 -5.073 488 1HB SER 61 1HB SER 61 13.881 0.193 -3.617 489 2HB SER 61 2HB SER 61 14.134 -1.320 -4.482 490 HG SER 61 HG SER 61 14.372 -0.042 -6.138 491 H PHE 62 H PHE 62 11.493 -3.296 -4.193 492 HA PHE 62 HA PHE 62 12.126 -3.704 -1.313 493 1HB PHE 62 1HB PHE 62 9.872 -4.715 -0.989 494 2HB PHE 62 2HB PHE 62 9.767 -3.013 -1.439 495 HD1 PHE 62 HD1 PHE 62 9.313 -6.485 -2.606 496 HD2 PHE 62 HD2 PHE 62 8.943 -2.327 -3.620 497 HE1 PHE 62 HE1 PHE 62 7.949 -7.089 -4.587 498 HE2 PHE 62 HE2 PHE 62 7.579 -2.932 -5.601 499 HZ PHE 62 HZ PHE 62 7.081 -5.313 -6.085 500 H THR 63 H THR 63 11.896 -6.138 -0.801 501 HA THR 63 HA THR 63 12.701 -7.740 -3.211 502 HB THR 63 HB THR 63 13.513 -8.004 -0.296 503 HG1 THR 63 HG1 THR 63 14.921 -7.033 -2.557 504 1HG2 THR 63 1HG2 THR 63 15.358 -9.411 -1.538 505 2HG2 THR 63 2HG2 THR 63 13.796 -10.143 -1.171 506 3HG2 THR 63 3HG2 THR 63 14.130 -9.543 -2.796 507 H LEU 64 H LEU 64 11.767 -9.812 -3.418 508 HA LEU 64 HA LEU 64 9.225 -10.248 -2.054 509 1HB LEU 64 1HB LEU 64 10.920 -11.738 -4.069 510 2HB LEU 64 2HB LEU 64 9.392 -12.390 -3.476 511 HG LEU 64 HG LEU 64 9.601 -9.602 -4.621 512 1HD1 LEU 64 1HD1 LEU 64 9.329 -12.256 -6.005 513 2HD1 LEU 64 2HD1 LEU 64 8.498 -10.844 -6.660 514 3HD1 LEU 64 3HD1 LEU 64 10.254 -10.836 -6.494 515 1HD2 LEU 64 1HD2 LEU 64 7.463 -11.452 -3.695 516 2HD2 LEU 64 2HD2 LEU 64 7.526 -9.690 -3.640 517 3HD2 LEU 64 3HD2 LEU 64 7.106 -10.511 -5.144 518 H GLY 65 H GLY 65 9.013 -11.300 -0.121 519 1HA GLY 65 1HA GLY 65 9.376 -13.262 1.276 520 2HA GLY 65 2HA GLY 65 10.981 -13.429 0.563 521 H LYS 66 H LYS 66 10.706 -10.218 1.042 522 HA LYS 66 HA LYS 66 11.616 -10.330 3.895 523 1HB LYS 66 1HB LYS 66 13.438 -10.305 2.074 524 2HB LYS 66 2HB LYS 66 12.907 -8.658 1.729 525 1HG LYS 66 1HG LYS 66 13.310 -8.047 4.098 526 2HG LYS 66 2HG LYS 66 13.888 -9.684 4.410 527 1HD LYS 66 1HD LYS 66 15.656 -9.360 2.688 528 2HD LYS 66 2HD LYS 66 15.108 -7.697 2.471 529 1HE LYS 66 1HE LYS 66 16.782 -7.344 4.046 530 2HE LYS 66 2HE LYS 66 15.425 -7.667 5.145 531 1HZ LYS 66 1HZ LYS 66 17.202 -9.774 4.039 532 2HZ LYS 66 2HZ LYS 66 17.410 -9.077 5.575 533 3HZ LYS 66 3HZ LYS 66 16.005 -9.967 5.225 534 H GLU 67 H GLU 67 11.137 -8.424 5.094 535 HA GLU 67 HA GLU 67 8.868 -6.868 4.179 536 1HB GLU 67 1HB GLU 67 9.367 -7.546 6.531 537 2HB GLU 67 2HB GLU 67 10.763 -6.468 6.517 538 1HG GLU 67 1HG GLU 67 9.276 -4.549 6.055 539 2HG GLU 67 2HG GLU 67 7.881 -5.627 6.093 540 H ALA 68 H ALA 68 8.930 -4.984 3.015 541 HA ALA 68 HA ALA 68 11.495 -3.426 2.979 542 1HB ALA 68 1HB ALA 68 11.007 -4.873 0.952 543 2HB ALA 68 2HB ALA 68 9.585 -3.871 0.667 544 3HB ALA 68 3HB ALA 68 11.195 -3.156 0.596 545 H ASP 69 H ASP 69 11.218 -1.133 2.799 546 HA ASP 69 HA ASP 69 8.679 -0.116 3.862 547 1HB ASP 69 1HB ASP 69 11.233 1.249 2.946 548 2HB ASP 69 2HB ASP 69 9.958 2.000 3.906 549 H ILE 70 H ILE 70 7.076 0.853 2.655 550 HA ILE 70 HA ILE 70 7.668 1.435 -0.231 551 HB ILE 70 HB ILE 70 5.260 0.230 1.159 552 1HG1 ILE 70 1HG1 ILE 70 7.107 -1.310 0.604 553 2HG1 ILE 70 2HG1 ILE 70 5.703 -1.631 -0.415 554 1HG2 ILE 70 1HG2 ILE 70 4.654 1.954 -0.602 555 2HG2 ILE 70 2HG2 ILE 70 5.493 0.941 -1.776 556 3HG2 ILE 70 3HG2 ILE 70 4.074 0.321 -0.933 557 1HD1 ILE 70 1HD1 ILE 70 6.748 -0.127 -2.163 558 2HD1 ILE 70 2HD1 ILE 70 8.205 -0.101 -1.170 559 3HD1 ILE 70 3HD1 ILE 70 7.632 -1.621 -1.857 560 H THR 71 H THR 71 6.796 3.379 -1.045 561 HA THR 71 HA THR 71 5.426 5.144 0.962 562 HB THR 71 HB THR 71 7.433 5.808 -1.218 563 HG1 THR 71 HG1 THR 71 8.595 5.016 0.399 564 1HG2 THR 71 1HG2 THR 71 7.401 8.053 0.050 565 2HG2 THR 71 2HG2 THR 71 6.033 7.704 -1.007 566 3HG2 THR 71 3HG2 THR 71 5.875 7.496 0.738 567 H THR 72 H THR 72 3.523 6.070 0.252 568 HA THR 72 HA THR 72 2.544 5.351 -2.444 569 HB THR 72 HB THR 72 0.413 6.097 -1.525 570 HG1 THR 72 HG1 THR 72 0.562 7.750 -0.254 571 1HG2 THR 72 1HG2 THR 72 1.419 4.900 0.952 572 2HG2 THR 72 2HG2 THR 72 0.221 4.285 -0.187 573 3HG2 THR 72 3HG2 THR 72 1.940 4.036 -0.493 574 H MET 73 H MET 73 1.650 7.019 -3.879 575 HA MET 73 HA MET 73 3.344 9.332 -4.175 576 1HB MET 73 1HB MET 73 0.951 8.103 -5.446 577 2HB MET 73 2HB MET 73 1.208 9.818 -5.768 578 1HG MET 73 1HG MET 73 2.679 9.173 -7.355 579 2HG MET 73 2HG MET 73 3.749 8.705 -6.032 580 1HE MET 73 1HE MET 73 0.652 7.897 -7.795 581 2HE MET 73 2HE MET 73 1.550 7.109 -9.091 582 3HE MET 73 3HE MET 73 0.554 6.149 -7.987 583 H ASP 74 H ASP 74 0.605 8.738 -2.206 584 HA ASP 74 HA ASP 74 -0.349 11.524 -2.149 585 1HB ASP 74 1HB ASP 74 -1.975 9.798 -1.890 586 2HB ASP 74 2HB ASP 74 -0.990 8.947 -0.700 587 H GLY 75 H GLY 75 1.946 9.539 -0.437 588 1HA GLY 75 1HA GLY 75 3.658 10.775 0.891 589 2HA GLY 75 2HA GLY 75 2.343 11.772 1.515 590 H LYS 76 H LYS 76 1.793 8.367 1.112 591 HA LYS 76 HA LYS 76 1.595 8.093 4.071 592 1HB LYS 76 1HB LYS 76 0.267 7.060 1.676 593 2HB LYS 76 2HB LYS 76 0.656 5.780 2.827 594 1HG LYS 76 1HG LYS 76 -0.382 7.229 4.632 595 2HG LYS 76 2HG LYS 76 -0.961 8.286 3.343 596 1HD LYS 76 1HD LYS 76 -2.095 6.308 2.303 597 2HD LYS 76 2HD LYS 76 -1.621 5.350 3.707 598 1HE LYS 76 1HE LYS 76 -2.906 6.803 5.194 599 2HE LYS 76 2HE LYS 76 -3.308 7.876 3.839 600 1HZ LYS 76 1HZ LYS 76 -3.904 4.969 3.849 601 2HZ LYS 76 2HZ LYS 76 -5.025 6.143 4.341 602 3HZ LYS 76 3HZ LYS 76 -4.454 6.135 2.741 603 H LYS 77 H LYS 77 2.995 6.765 5.196 604 HA LYS 77 HA LYS 77 5.013 5.231 3.592 605 1HB LYS 77 1HB LYS 77 5.110 6.457 6.369 606 2HB LYS 77 2HB LYS 77 6.441 5.590 5.602 607 1HG LYS 77 1HG LYS 77 6.460 7.240 3.765 608 2HG LYS 77 2HG LYS 77 5.134 8.112 4.537 609 1HD LYS 77 1HD LYS 77 6.531 8.536 6.510 610 2HD LYS 77 2HD LYS 77 7.853 7.618 5.787 611 1HE LYS 77 1HE LYS 77 8.142 9.237 4.035 612 2HE LYS 77 2HE LYS 77 6.628 10.059 4.463 613 1HZ LYS 77 1HZ LYS 77 8.908 9.717 6.334 614 2HZ LYS 77 2HZ LYS 77 8.656 11.121 5.412 615 3HZ LYS 77 3HZ LYS 77 7.513 10.655 6.576 616 H LEU 78 H LEU 78 5.145 3.031 3.952 617 HA LEU 78 HA LEU 78 4.221 1.805 6.446 618 1HB LEU 78 1HB LEU 78 2.369 0.570 5.349 619 2HB LEU 78 2HB LEU 78 2.110 2.314 5.268 620 HG LEU 78 HG LEU 78 3.645 1.158 3.016 621 1HD1 LEU 78 1HD1 LEU 78 0.975 0.165 3.798 622 2HD1 LEU 78 2HD1 LEU 78 1.100 0.705 2.123 623 3HD1 LEU 78 3HD1 LEU 78 2.175 -0.558 2.726 624 1HD2 LEU 78 1HD2 LEU 78 1.470 3.199 3.462 625 2HD2 LEU 78 2HD2 LEU 78 3.095 3.442 2.820 626 3HD2 LEU 78 3HD2 LEU 78 1.867 2.649 1.834 627 H LYS 79 H LYS 79 4.607 -0.562 6.406 628 HA LYS 79 HA LYS 79 6.734 -1.282 4.434 629 1HB LYS 79 1HB LYS 79 5.961 -2.557 7.076 630 2HB LYS 79 2HB LYS 79 7.446 -2.833 6.166 631 1HG LYS 79 1HG LYS 79 8.151 -0.535 6.515 632 2HG LYS 79 2HG LYS 79 6.614 -0.142 7.286 633 1HD LYS 79 1HD LYS 79 7.108 -1.795 9.072 634 2HD LYS 79 2HD LYS 79 8.670 -2.118 8.319 635 1HE LYS 79 1HE LYS 79 9.404 -0.472 9.743 636 2HE LYS 79 2HE LYS 79 8.733 0.621 8.515 637 1HZ LYS 79 1HZ LYS 79 7.148 -0.544 10.740 638 2HZ LYS 79 2HZ LYS 79 7.838 1.008 10.787 639 3HZ LYS 79 3HZ LYS 79 6.642 0.640 9.636 640 H CYS 80 H CYS 80 6.562 -3.229 3.244 641 HA CYS 80 HA CYS 80 4.154 -4.929 3.635 642 1HB CYS 80 1HB CYS 80 4.642 -2.953 1.502 643 2HB CYS 80 2HB CYS 80 4.172 -4.546 0.908 644 HG CYS 80 HG CYS 80 2.305 -3.830 3.123 645 H THR 81 H THR 81 4.542 -7.063 2.993 646 HA THR 81 HA THR 81 7.292 -7.647 1.966 647 HB THR 81 HB THR 81 6.403 -10.003 2.872 648 HG1 THR 81 HG1 THR 81 4.917 -9.719 4.489 649 1HG2 THR 81 1HG2 THR 81 7.343 -9.404 5.076 650 2HG2 THR 81 2HG2 THR 81 8.329 -8.759 3.764 651 3HG2 THR 81 3HG2 THR 81 7.239 -7.695 4.651 652 H VAL 82 H VAL 82 6.740 -7.353 -0.302 653 HA VAL 82 HA VAL 82 4.530 -8.498 -1.657 654 HB VAL 82 HB VAL 82 7.361 -8.190 -2.697 655 1HG1 VAL 82 1HG1 VAL 82 4.620 -7.926 -3.972 656 2HG1 VAL 82 2HG1 VAL 82 6.143 -7.559 -4.783 657 3HG1 VAL 82 3HG1 VAL 82 5.792 -9.210 -4.269 658 1HG2 VAL 82 1HG2 VAL 82 5.519 -6.213 -1.585 659 2HG2 VAL 82 2HG2 VAL 82 7.212 -6.028 -2.047 660 3HG2 VAL 82 3HG2 VAL 82 5.942 -5.854 -3.259 661 H HIS 83 H HIS 83 4.351 -10.497 -2.841 662 HA HIS 83 HA HIS 83 6.434 -12.569 -2.375 663 1HB HIS 83 1HB HIS 83 4.024 -12.250 -0.863 664 2HB HIS 83 2HB HIS 83 3.866 -13.712 -1.836 665 HD1 HIS 83 HD1 HIS 83 6.088 -12.140 0.788 666 HD2 HIS 83 HD2 HIS 83 5.532 -15.839 -1.051 667 HE1 HIS 83 HE1 HIS 83 7.506 -13.798 2.073 668 H LEU 84 H LEU 84 6.394 -14.190 -3.987 669 HA LEU 84 HA LEU 84 4.641 -13.610 -6.325 670 1HB LEU 84 1HB LEU 84 7.272 -14.944 -5.791 671 2HB LEU 84 2HB LEU 84 6.374 -15.416 -7.234 672 HG LEU 84 HG LEU 84 7.036 -12.547 -6.513 673 1HD1 LEU 84 1HD1 LEU 84 9.042 -14.000 -7.036 674 2HD1 LEU 84 2HD1 LEU 84 8.330 -14.294 -8.624 675 3HD1 LEU 84 3HD1 LEU 84 8.797 -12.659 -8.156 676 1HD2 LEU 84 1HD2 LEU 84 5.674 -13.933 -8.810 677 2HD2 LEU 84 2HD2 LEU 84 5.188 -12.472 -7.949 678 3HD2 LEU 84 3HD2 LEU 84 6.532 -12.418 -9.089 679 H ALA 85 H ALA 85 2.681 -14.682 -5.904 680 HA ALA 85 HA ALA 85 2.863 -17.616 -5.294 681 1HB ALA 85 1HB ALA 85 1.822 -16.143 -3.568 682 2HB ALA 85 2HB ALA 85 0.635 -15.622 -4.763 683 3HB ALA 85 3HB ALA 85 0.671 -17.303 -4.231 684 H ASN 86 H ASN 86 1.531 -19.014 -6.550 685 HA ASN 86 HA ASN 86 0.585 -19.705 -8.613 686 1HB ASN 86 1HB ASN 86 -1.171 -18.432 -7.110 687 2HB ASN 86 2HB ASN 86 -1.075 -17.209 -8.378 688 1HD2 ASN 86 2HD2 ASN 86 -1.935 -20.614 -7.756 689 2HD2 ASN 86 1HD2 ASN 86 -2.834 -20.819 -9.181 690 H GLY 87 H GLY 87 2.868 -17.703 -8.736 691 1HA GLY 87 1HA GLY 87 4.008 -16.629 -10.492 692 2HA GLY 87 2HA GLY 87 2.725 -17.172 -11.574 693 H LYS 88 H LYS 88 2.379 -15.159 -8.668 694 HA LYS 88 HA LYS 88 1.862 -12.758 -10.324 695 1HB LYS 88 1HB LYS 88 -0.208 -14.145 -8.589 696 2HB LYS 88 2HB LYS 88 -0.429 -12.563 -9.338 697 1HG LYS 88 1HG LYS 88 0.018 -13.648 -11.572 698 2HG LYS 88 2HG LYS 88 -0.012 -15.210 -10.752 699 1HD LYS 88 1HD LYS 88 -2.319 -14.026 -9.822 700 2HD LYS 88 2HD LYS 88 -2.242 -13.438 -11.483 701 1HE LYS 88 1HE LYS 88 -2.810 -15.474 -12.303 702 2HE LYS 88 2HE LYS 88 -1.565 -16.276 -11.323 703 1HZ LYS 88 1HZ LYS 88 -4.180 -15.294 -10.301 704 2HZ LYS 88 2HZ LYS 88 -3.815 -16.921 -10.634 705 3HZ LYS 88 3HZ LYS 88 -2.992 -16.105 -9.395 706 H LEU 89 H LEU 89 2.544 -10.968 -9.193 707 HA LEU 89 HA LEU 89 3.650 -11.233 -6.527 708 1HB LEU 89 1HB LEU 89 4.400 -9.718 -8.416 709 2HB LEU 89 2HB LEU 89 2.970 -8.733 -8.103 710 HG LEU 89 HG LEU 89 4.664 -9.400 -5.751 711 1HD1 LEU 89 1HD1 LEU 89 5.589 -7.817 -8.109 712 2HD1 LEU 89 2HD1 LEU 89 5.962 -7.189 -6.504 713 3HD1 LEU 89 3HD1 LEU 89 6.524 -8.793 -6.977 714 1HD2 LEU 89 1HD2 LEU 89 3.071 -7.044 -6.776 715 2HD2 LEU 89 2HD2 LEU 89 2.774 -8.018 -5.337 716 3HD2 LEU 89 3HD2 LEU 89 4.138 -6.901 -5.379 717 H VAL 90 H VAL 90 2.680 -10.750 -4.571 718 HA VAL 90 HA VAL 90 0.094 -9.260 -4.571 719 HB VAL 90 HB VAL 90 -0.751 -11.113 -3.019 720 1HG1 VAL 90 1HG1 VAL 90 -0.872 -10.831 -5.747 721 2HG1 VAL 90 2HG1 VAL 90 -0.237 -12.468 -5.587 722 3HG1 VAL 90 3HG1 VAL 90 -1.770 -12.039 -4.829 723 1HG2 VAL 90 1HG2 VAL 90 1.903 -11.939 -3.197 724 2HG2 VAL 90 2HG2 VAL 90 0.567 -12.892 -2.548 725 3HG2 VAL 90 3HG2 VAL 90 1.043 -13.075 -4.237 726 H THR 91 H THR 91 0.273 -7.695 -3.020 727 HA THR 91 HA THR 91 2.122 -8.193 -0.710 728 HB THR 91 HB THR 91 1.204 -5.629 -2.055 729 HG1 THR 91 HG1 THR 91 3.628 -7.094 -2.102 730 1HG2 THR 91 1HG2 THR 91 2.920 -4.556 -0.645 731 2HG2 THR 91 2HG2 THR 91 1.680 -5.326 0.343 732 3HG2 THR 91 3HG2 THR 91 3.248 -6.104 0.132 733 H LYS 92 H LYS 92 0.481 -9.133 0.656 734 HA LYS 92 HA LYS 92 -1.999 -7.613 1.173 735 1HB LYS 92 1HB LYS 92 -2.397 -9.584 2.694 736 2HB LYS 92 2HB LYS 92 -2.063 -10.040 1.022 737 1HG LYS 92 1HG LYS 92 -0.004 -10.926 1.529 738 2HG LYS 92 2HG LYS 92 0.281 -9.785 2.843 739 1HD LYS 92 1HD LYS 92 -1.867 -11.883 3.080 740 2HD LYS 92 2HD LYS 92 -0.187 -12.274 3.450 741 1HE LYS 92 1HE LYS 92 -0.092 -10.610 5.189 742 2HE LYS 92 2HE LYS 92 -1.655 -9.927 4.698 743 1HZ LYS 92 1HZ LYS 92 -2.600 -12.199 5.077 744 2HZ LYS 92 2HZ LYS 92 -1.133 -12.627 5.812 745 3HZ LYS 92 3HZ LYS 92 -2.092 -11.398 6.487 746 H SER 93 H SER 93 -2.561 -7.070 3.470 747 HA SER 93 HA SER 93 -0.278 -6.733 5.332 748 1HB SER 93 1HB SER 93 -0.127 -4.772 3.918 749 2HB SER 93 2HB SER 93 -1.860 -4.485 4.048 750 HG SER 93 HG SER 93 -1.443 -3.413 5.795 751 H GLU 94 H GLU 94 -1.628 -4.854 7.011 752 HA GLU 94 HA GLU 94 -3.864 -6.571 8.012 753 1HB GLU 94 1HB GLU 94 -1.806 -4.741 9.213 754 2HB GLU 94 2HB GLU 94 -3.296 -5.060 10.101 755 1HG GLU 94 1HG GLU 94 -2.821 -7.549 9.686 756 2HG GLU 94 2HG GLU 94 -1.200 -7.043 9.208 757 H LYS 95 H LYS 95 -4.004 -4.383 5.884 758 HA LYS 95 HA LYS 95 -6.433 -3.102 6.877 759 1HB LYS 95 1HB LYS 95 -5.464 -0.798 6.746 760 2HB LYS 95 2HB LYS 95 -4.712 -1.775 8.008 761 1HG LYS 95 1HG LYS 95 -2.697 -1.781 6.966 762 2HG LYS 95 2HG LYS 95 -3.420 -2.033 5.377 763 1HD LYS 95 1HD LYS 95 -2.393 0.145 5.349 764 2HD LYS 95 2HD LYS 95 -4.137 0.393 5.423 765 1HE LYS 95 1HE LYS 95 -4.032 0.808 7.823 766 2HE LYS 95 2HE LYS 95 -2.302 0.415 7.846 767 1HZ LYS 95 1HZ LYS 95 -3.519 2.547 6.170 768 2HZ LYS 95 2HZ LYS 95 -2.737 2.829 7.653 769 3HZ LYS 95 3HZ LYS 95 -1.862 2.207 6.339 770 H PHE 96 H PHE 96 -4.505 -4.248 4.435 771 HA PHE 96 HA PHE 96 -6.337 -3.529 2.336 772 1HB PHE 96 1HB PHE 96 -4.952 -1.883 1.175 773 2HB PHE 96 2HB PHE 96 -5.239 -1.329 2.826 774 HD1 PHE 96 HD1 PHE 96 -2.862 -3.820 1.331 775 HD2 PHE 96 HD2 PHE 96 -3.352 -0.240 3.655 776 HE1 PHE 96 HE1 PHE 96 -0.415 -3.748 1.736 777 HE2 PHE 96 HE2 PHE 96 -0.906 -0.169 4.060 778 HZ PHE 96 HZ PHE 96 0.562 -1.923 3.101 779 H SER 97 H SER 97 -5.864 -4.727 0.448 780 HA SER 97 HA SER 97 -3.392 -6.425 0.584 781 1HB SER 97 1HB SER 97 -5.421 -7.698 0.943 782 2HB SER 97 2HB SER 97 -6.200 -6.938 -0.441 783 HG SER 97 HG SER 97 -5.339 -8.451 -1.600 784 H HIS 98 H HIS 98 -2.491 -7.021 -1.551 785 HA HIS 98 HA HIS 98 -3.328 -5.284 -3.827 786 1HB HIS 98 1HB HIS 98 -1.579 -4.141 -2.451 787 2HB HIS 98 2HB HIS 98 -0.506 -5.513 -2.730 788 HD2 HIS 98 HD2 HIS 98 -1.504 -2.231 -4.484 789 HE1 HIS 98 HE1 HIS 98 0.497 -4.566 -7.393 790 HE2 HIS 98 HE2 HIS 98 -0.423 -2.287 -6.839 791 H GLU 99 H GLU 99 -3.059 -6.323 -5.804 792 HA GLU 99 HA GLU 99 -1.271 -8.681 -6.001 793 1HB GLU 99 1HB GLU 99 -3.467 -9.438 -5.068 794 2HB GLU 99 2HB GLU 99 -4.263 -8.798 -6.507 795 1HG GLU 99 1HG GLU 99 -1.983 -10.557 -7.105 796 2HG GLU 99 2HG GLU 99 -3.300 -11.367 -6.255 797 H GLN 100 H GLN 100 -0.315 -8.594 -7.998 798 HA GLN 100 HA GLN 100 -1.826 -7.300 -10.242 799 1HB GLN 100 1HB GLN 100 -0.196 -5.740 -9.304 800 2HB GLN 100 2HB GLN 100 1.072 -6.964 -9.403 801 1HG GLN 100 1HG GLN 100 0.830 -7.018 -11.859 802 2HG GLN 100 2HG GLN 100 -0.430 -5.788 -11.761 803 1HE2 GLN 100 2HE2 GLN 100 2.604 -5.904 -12.748 804 2HE2 GLN 100 1HE2 GLN 100 3.227 -4.450 -12.134 805 H GLU 101 H GLU 101 -1.226 -8.114 -12.363 806 HA GLU 101 HA GLU 101 0.601 -10.447 -12.483 807 1HB GLU 101 1HB GLU 101 -1.550 -11.371 -11.778 808 2HB GLU 101 2HB GLU 101 -2.373 -10.521 -13.085 809 1HG GLU 101 1HG GLU 101 -1.290 -11.848 -14.756 810 2HG GLU 101 2HG GLU 101 -0.156 -12.519 -13.582 811 H VAL 102 H VAL 102 1.163 -10.983 -14.702 812 HA VAL 102 HA VAL 102 0.412 -8.850 -16.676 813 HB VAL 102 HB VAL 102 2.757 -8.847 -15.775 814 1HG1 VAL 102 1HG1 VAL 102 2.485 -11.629 -16.140 815 2HG1 VAL 102 2HG1 VAL 102 3.676 -11.108 -17.332 816 3HG1 VAL 102 3HG1 VAL 102 3.933 -10.763 -15.621 817 1HG2 VAL 102 1HG2 VAL 102 1.985 -8.257 -18.229 818 2HG2 VAL 102 2HG2 VAL 102 3.705 -8.353 -17.851 819 3HG2 VAL 102 3HG2 VAL 102 2.902 -9.704 -18.651 820 H LYS 103 H LYS 103 -0.435 -9.581 -18.606 821 HA LYS 103 HA LYS 103 -0.135 -12.488 -19.270 822 1HB LYS 103 1HB LYS 103 -2.562 -12.389 -19.927 823 2HB LYS 103 2HB LYS 103 -2.295 -12.130 -18.202 824 1HG LYS 103 1HG LYS 103 -2.100 -9.602 -19.538 825 2HG LYS 103 2HG LYS 103 -3.594 -10.392 -20.047 826 1HD LYS 103 1HD LYS 103 -3.039 -10.632 -17.166 827 2HD LYS 103 2HD LYS 103 -3.298 -8.975 -17.710 828 1HE LYS 103 1HE LYS 103 -5.179 -11.184 -18.558 829 2HE LYS 103 2HE LYS 103 -5.402 -10.324 -17.021 830 1HZ LYS 103 1HZ LYS 103 -5.123 -8.224 -18.356 831 2HZ LYS 103 2HZ LYS 103 -5.302 -9.175 -19.752 832 3HZ LYS 103 3HZ LYS 103 -6.567 -9.071 -18.623 833 H GLY 104 H GLY 104 1.356 -12.001 -20.970 834 1HA GLY 104 1HA GLY 104 1.743 -11.667 -23.285 835 2HA GLY 104 2HA GLY 104 0.109 -11.016 -23.432 836 H ASN 105 H ASN 105 -0.043 -8.843 -23.712 837 HA ASN 105 HA ASN 105 2.346 -7.175 -22.992 838 1HB ASN 105 1HB ASN 105 1.676 -5.794 -24.908 839 2HB ASN 105 2HB ASN 105 1.826 -7.478 -25.415 840 1HD2 ASN 105 2HD2 ASN 105 -0.124 -4.913 -25.942 841 2HD2 ASN 105 1HD2 ASN 105 -1.621 -5.691 -26.127 842 H GLU 106 H GLU 106 -0.337 -7.912 -21.535 843 HA GLU 106 HA GLU 106 -1.129 -5.078 -20.940 844 1HB GLU 106 1HB GLU 106 -2.787 -7.623 -20.918 845 2HB GLU 106 2HB GLU 106 -3.389 -6.005 -20.555 846 1HG GLU 106 1HG GLU 106 -3.451 -5.398 -22.747 847 2HG GLU 106 2HG GLU 106 -1.941 -6.231 -23.119 848 H MET 107 H MET 107 -1.468 -4.592 -18.716 849 HA MET 107 HA MET 107 -0.608 -6.729 -16.789 850 1HB MET 107 1HB MET 107 1.119 -5.040 -17.131 851 2HB MET 107 2HB MET 107 -0.050 -3.747 -16.859 852 1HG MET 107 1HG MET 107 -0.245 -4.237 -14.563 853 2HG MET 107 2HG MET 107 0.426 -5.856 -14.760 854 1HE MET 107 1HE MET 107 2.513 -6.166 -16.032 855 2HE MET 107 2HE MET 107 4.022 -5.325 -15.692 856 3HE MET 107 3HE MET 107 3.244 -6.294 -14.434 857 H VAL 108 H VAL 108 -1.912 -6.967 -14.973 858 HA VAL 108 HA VAL 108 -4.150 -4.995 -14.628 859 HB VAL 108 HB VAL 108 -4.147 -8.020 -14.354 860 1HG1 VAL 108 1HG1 VAL 108 -6.131 -5.877 -13.691 861 2HG1 VAL 108 2HG1 VAL 108 -6.732 -7.407 -14.329 862 3HG1 VAL 108 3HG1 VAL 108 -5.785 -7.383 -12.840 863 1HG2 VAL 108 1HG2 VAL 108 -5.256 -6.118 -16.433 864 2HG2 VAL 108 2HG2 VAL 108 -4.107 -7.433 -16.681 865 3HG2 VAL 108 3HG2 VAL 108 -5.789 -7.793 -16.291 866 H GLU 109 H GLU 109 -4.234 -4.153 -12.579 867 HA GLU 109 HA GLU 109 -2.714 -5.572 -10.416 868 1HB GLU 109 1HB GLU 109 -3.274 -2.658 -11.022 869 2HB GLU 109 2HB GLU 109 -2.598 -3.193 -9.483 870 1HG GLU 109 1HG GLU 109 -0.659 -4.118 -10.564 871 2HG GLU 109 2HG GLU 109 -1.370 -3.888 -12.161 872 H THR 110 H THR 110 -4.228 -6.641 -9.173 873 HA THR 110 HA THR 110 -6.878 -5.368 -8.693 874 HB THR 110 HB THR 110 -5.823 -8.113 -7.948 875 HG1 THR 110 HG1 THR 110 -6.584 -8.787 -9.882 876 1HG2 THR 110 1HG2 THR 110 -8.685 -7.461 -8.520 877 2HG2 THR 110 2HG2 THR 110 -8.008 -8.678 -7.436 878 3HG2 THR 110 3HG2 THR 110 -8.012 -6.978 -6.963 879 H ILE 111 H ILE 111 -7.150 -4.240 -6.809 880 HA ILE 111 HA ILE 111 -5.544 -5.063 -4.415 881 HB ILE 111 HB ILE 111 -6.190 -2.243 -5.333 882 1HG1 ILE 111 1HG1 ILE 111 -3.585 -3.794 -5.493 883 2HG1 ILE 111 2HG1 ILE 111 -4.619 -3.404 -6.868 884 1HG2 ILE 111 1HG2 ILE 111 -5.840 -2.685 -2.857 885 2HG2 ILE 111 2HG2 ILE 111 -4.201 -3.199 -3.259 886 3HG2 ILE 111 3HG2 ILE 111 -4.707 -1.540 -3.576 887 1HD1 ILE 111 1HD1 ILE 111 -3.374 -1.344 -5.024 888 2HD1 ILE 111 2HD1 ILE 111 -2.724 -1.797 -6.599 889 3HD1 ILE 111 3HD1 ILE 111 -4.301 -1.018 -6.488 890 H THR 112 H THR 112 -6.845 -5.404 -2.651 891 HA THR 112 HA THR 112 -9.676 -4.452 -2.785 892 HB THR 112 HB THR 112 -8.382 -6.525 -0.989 893 HG1 THR 112 HG1 THR 112 -8.783 -7.975 -2.525 894 1HG2 THR 112 1HG2 THR 112 -10.911 -7.322 -1.243 895 2HG2 THR 112 2HG2 THR 112 -10.445 -6.127 -0.034 896 3HG2 THR 112 3HG2 THR 112 -11.167 -5.606 -1.557 897 H PHE 113 H PHE 113 -10.511 -3.169 -1.113 898 HA PHE 113 HA PHE 113 -9.006 -2.698 1.360 899 1HB PHE 113 1HB PHE 113 -7.900 -1.374 -0.537 900 2HB PHE 113 2HB PHE 113 -9.375 -0.407 -0.584 901 HD1 PHE 113 HD1 PHE 113 -10.213 0.434 1.809 902 HD2 PHE 113 HD2 PHE 113 -6.171 -0.663 0.855 903 HE1 PHE 113 HE1 PHE 113 -9.396 1.777 3.726 904 HE2 PHE 113 HE2 PHE 113 -5.354 0.681 2.772 905 HZ PHE 113 HZ PHE 113 -6.966 1.900 4.207 906 H GLY 114 H GLY 114 -10.580 -2.404 2.885 907 1HA GLY 114 1HA GLY 114 -12.574 -1.668 3.888 908 2HA GLY 114 2HA GLY 114 -12.751 -0.535 2.547 909 H GLY 115 H GLY 115 -12.487 -4.057 2.274 910 1HA GLY 115 1HA GLY 115 -14.042 -5.646 1.508 911 2HA GLY 115 2HA GLY 115 -15.320 -4.515 1.957 912 H VAL 116 H VAL 116 -13.048 -3.025 -0.046 913 HA VAL 116 HA VAL 116 -14.853 -3.403 -2.409 914 HB VAL 116 HB VAL 116 -13.005 -1.134 -1.597 915 1HG1 VAL 116 1HG1 VAL 116 -13.343 -1.465 -4.079 916 2HG1 VAL 116 2HG1 VAL 116 -15.070 -1.222 -3.814 917 3HG1 VAL 116 3HG1 VAL 116 -13.933 0.080 -3.467 918 1HG2 VAL 116 1HG2 VAL 116 -15.966 -1.632 -1.340 919 2HG2 VAL 116 2HG2 VAL 116 -14.838 -1.027 -0.127 920 3HG2 VAL 116 3HG2 VAL 116 -15.347 0.015 -1.456 921 H THR 117 H THR 117 -13.920 -4.047 -4.357 922 HA THR 117 HA THR 117 -10.977 -4.622 -4.300 923 HB THR 117 HB THR 117 -13.226 -5.903 -5.887 924 HG1 THR 117 HG1 THR 117 -13.523 -7.070 -4.188 925 1HG2 THR 117 1HG2 THR 117 -11.523 -7.668 -6.303 926 2HG2 THR 117 2HG2 THR 117 -11.054 -6.110 -6.986 927 3HG2 THR 117 3HG2 THR 117 -10.323 -6.669 -5.482 928 H LEU 118 H LEU 118 -9.750 -3.517 -5.780 929 HA LEU 118 HA LEU 118 -11.177 -2.025 -7.950 930 1HB LEU 118 1HB LEU 118 -9.932 -0.716 -6.266 931 2HB LEU 118 2HB LEU 118 -8.470 -1.634 -6.629 932 HG LEU 118 HG LEU 118 -8.663 -0.847 -9.017 933 1HD1 LEU 118 1HD1 LEU 118 -11.131 -0.312 -8.794 934 2HD1 LEU 118 2HD1 LEU 118 -10.665 1.113 -7.865 935 3HD1 LEU 118 3HD1 LEU 118 -10.167 0.957 -9.549 936 1HD2 LEU 118 1HD2 LEU 118 -7.259 0.257 -7.175 937 2HD2 LEU 118 2HD2 LEU 118 -7.640 1.263 -8.571 938 3HD2 LEU 118 3HD2 LEU 118 -8.539 1.465 -7.068 939 H ILE 119 H ILE 119 -10.226 -2.056 -10.087 940 HA ILE 119 HA ILE 119 -8.226 -4.243 -10.551 941 HB ILE 119 HB ILE 119 -10.774 -3.584 -12.066 942 1HG1 ILE 119 1HG1 ILE 119 -9.971 -6.078 -10.534 943 2HG1 ILE 119 2HG1 ILE 119 -11.019 -4.816 -9.888 944 1HG2 ILE 119 1HG2 ILE 119 -8.515 -5.518 -12.615 945 2HG2 ILE 119 2HG2 ILE 119 -10.125 -5.741 -13.299 946 3HG2 ILE 119 3HG2 ILE 119 -9.191 -4.299 -13.696 947 1HD1 ILE 119 1HD1 ILE 119 -11.662 -6.085 -12.537 948 2HD1 ILE 119 2HD1 ILE 119 -12.107 -6.901 -11.038 949 3HD1 ILE 119 3HD1 ILE 119 -12.747 -5.296 -11.391 950 H ARG 120 H ARG 120 -6.516 -2.725 -10.893 951 HA ARG 120 HA ARG 120 -6.904 -0.618 -12.956 952 1HB ARG 120 1HB ARG 120 -5.794 -0.302 -10.673 953 2HB ARG 120 2HB ARG 120 -4.458 -1.274 -11.293 954 1HG ARG 120 1HG ARG 120 -5.009 0.637 -13.296 955 2HG ARG 120 2HG ARG 120 -5.039 1.518 -11.767 956 1HD ARG 120 1HD ARG 120 -2.810 -0.437 -12.323 957 2HD ARG 120 2HD ARG 120 -2.733 1.217 -12.964 958 HE ARG 120 HE ARG 120 -3.352 0.838 -10.075 959 1HH1 ARG 120 1HH1 ARG 120 -0.430 0.462 -11.032 960 2HH1 ARG 120 2HH1 ARG 120 0.206 2.039 -10.706 961 1HH2 ARG 120 1HH2 ARG 120 -2.911 3.511 -10.332 962 2HH2 ARG 120 2HH2 ARG 120 -1.198 3.766 -10.309 963 H ARG 121 H ARG 121 -6.207 -0.946 -15.034 964 HA ARG 121 HA ARG 121 -4.446 -3.312 -15.569 965 1HB ARG 121 1HB ARG 121 -5.485 -2.747 -17.956 966 2HB ARG 121 2HB ARG 121 -6.420 -3.637 -16.754 967 1HG ARG 121 1HG ARG 121 -7.531 -1.598 -16.032 968 2HG ARG 121 2HG ARG 121 -6.516 -0.627 -17.100 969 1HD ARG 121 1HD ARG 121 -8.633 -0.949 -18.233 970 2HD ARG 121 2HD ARG 121 -7.457 -2.005 -19.041 971 HE ARG 121 HE ARG 121 -8.398 -3.652 -17.088 972 1HH1 ARG 121 1HH1 ARG 121 -10.802 -1.704 -17.168 973 2HH1 ARG 121 2HH1 ARG 121 -11.874 -2.578 -18.210 974 1HH2 ARG 121 1HH2 ARG 121 -9.417 -4.731 -19.370 975 2HH2 ARG 121 2HH2 ARG 121 -11.089 -4.292 -19.456 976 H SER 122 H SER 122 -2.476 -2.958 -16.573 977 HA SER 122 HA SER 122 -1.888 -0.167 -17.512 978 1HB SER 122 1HB SER 122 -0.089 -2.144 -16.073 979 2HB SER 122 2HB SER 122 0.359 -0.511 -16.559 980 HG SER 122 HG SER 122 -0.895 0.307 -15.019 981 H LYS 123 H LYS 123 -0.974 -0.052 -19.548 982 HA LYS 123 HA LYS 123 -0.572 -2.592 -21.026 983 1HB LYS 123 1HB LYS 123 -1.943 -0.635 -21.850 984 2HB LYS 123 2HB LYS 123 -0.446 0.295 -21.953 985 1HG LYS 123 1HG LYS 123 0.486 -1.335 -23.530 986 2HG LYS 123 2HG LYS 123 -0.972 -2.318 -23.400 987 1HD LYS 123 1HD LYS 123 -2.315 -0.451 -24.293 988 2HD LYS 123 2HD LYS 123 -0.858 0.533 -24.428 989 1HE LYS 123 1HE LYS 123 0.072 -1.428 -25.874 990 2HE LYS 123 2HE LYS 123 -1.631 -1.907 -26.026 991 1HZ LYS 123 1HZ LYS 123 -0.646 0.851 -26.513 992 2HZ LYS 123 2HZ LYS 123 -0.878 -0.292 -27.749 993 3HZ LYS 123 3HZ LYS 123 -2.199 0.246 -26.827 994 H ARG 124 H ARG 124 1.422 -3.003 -22.183 995 HA ARG 124 HA ARG 124 3.816 -1.951 -20.803 996 1HB ARG 124 1HB ARG 124 3.367 -4.382 -21.307 997 2HB ARG 124 2HB ARG 124 3.527 -3.999 -23.022 998 1HG ARG 124 1HG ARG 124 5.817 -3.289 -22.722 999 2HG ARG 124 2HG ARG 124 5.677 -3.419 -20.968 1000 1HD ARG 124 1HD ARG 124 6.792 -5.426 -21.669 1001 2HD ARG 124 2HD ARG 124 5.110 -5.911 -21.379 1002 HE ARG 124 HE ARG 124 4.725 -5.708 -23.828 1003 1HH1 ARG 124 1HH1 ARG 124 7.073 -4.040 -24.568 1004 2HH1 ARG 124 2HH1 ARG 124 8.166 -5.205 -25.238 1005 1HH2 ARG 124 1HH2 ARG 124 6.516 -7.932 -23.872 1006 2HH2 ARG 124 2HH2 ARG 124 7.850 -7.408 -24.845 1007 H VAL 125 HN VAL 125 5.221 -0.486 -21.733 1008 HA VAL 125 HA VAL 125 4.939 0.095 -24.656 1009 HB VAL 125 HB VAL 125 5.060 2.096 -22.375 1010 1HG1 VAL 125 1HG1 VAL 125 5.127 2.312 -25.366 1011 2HG1 VAL 125 2HG1 VAL 125 4.324 3.580 -24.437 1012 3HG1 VAL 125 3HG1 VAL 125 6.031 3.229 -24.159 1013 1HG2 VAL 125 1HG2 VAL 125 2.835 0.888 -23.969 1014 2HG2 VAL 125 2HG2 VAL 125 2.862 1.374 -22.274 1015 3HG2 VAL 125 3HG2 VAL 125 2.711 2.594 -23.540 1016 1H1 JN3 130 1H1 JN3 130 -3.870 1.688 -7.377 1017 2H1 JN3 130 2H1 JN3 130 -3.375 3.070 -8.413 1018 1H2 JN3 130 1H2 JN3 130 -1.126 2.910 -7.574 1019 2H2 JN3 130 2H2 JN3 130 -1.676 1.352 -8.305 1020 H3 JN3 130 H3 JN3 130 -2.225 0.448 -5.971 1021 HO3 JN3 130 HO3 JN3 130 -0.071 0.315 -5.086 1022 1H4 JN3 130 1H4 JN3 130 -1.162 3.127 -4.966 1023 2H4 JN3 130 2H4 JN3 130 -1.681 1.773 -3.946 1024 H5 JN3 130 H5 JN3 130 -4.065 1.971 -4.963 1025 1H6 JN3 130 1H6 JN3 130 -3.585 3.243 -2.849 1026 2H6 JN3 130 2H6 JN3 130 -4.760 4.046 -3.879 1027 H7 JN3 130 H7 JN3 130 -3.086 5.644 -2.948 1028 HO7 JN3 130 HO7 JN3 130 -1.285 4.119 -2.897 1029 H8 JN3 130 H8 JN3 130 -4.140 6.133 -5.123 1030 H9 JN3 130 H9 JN3 130 -1.593 4.677 -6.316 1031 1H11 JN3 130 1H11 JN3 130 -3.938 6.064 -7.773 1032 2H11 JN3 130 2H11 JN3 130 -2.664 5.151 -8.582 1033 1H12 JN3 130 1H12 JN3 130 -2.111 7.561 -8.680 1034 2H12 JN3 130 2H12 JN3 130 -0.945 6.770 -7.615 1035 H14 JN3 130 H14 JN3 130 -1.122 6.959 -5.103 1036 1H15 JN3 130 1H15 JN3 130 -1.974 8.019 -3.155 1037 2H15 JN3 130 2H15 JN3 130 -3.529 8.368 -3.903 1038 1H16 JN3 130 1H16 JN3 130 -0.985 9.833 -4.161 1039 2H16 JN3 130 2H16 JN3 130 -2.630 10.325 -4.707 1040 H17 JN3 130 H17 JN3 130 -0.425 8.912 -6.322 1041 1H18 JN3 130 1H18 JN3 130 -4.244 9.149 -5.869 1042 2H18 JN3 130 2H18 JN3 130 -4.170 8.967 -7.638 1043 3H18 JN3 130 3H18 JN3 130 -4.629 7.582 -6.619 1044 1H19 JN3 130 1H19 JN3 130 -5.389 4.541 -5.737 1045 2H19 JN3 130 2H19 JN3 130 -5.259 4.304 -7.496 1046 3H19 JN3 130 3H19 JN3 130 -5.675 2.932 -6.442 1047 H20 JN3 130 H20 JN3 130 -2.498 10.955 -7.142 1048 1H21 JN3 130 1H21 JN3 130 -1.390 11.235 -9.221 1049 2H21 JN3 130 2H21 JN3 130 -0.358 9.825 -8.882 1050 3H21 JN3 130 3H21 JN3 130 -2.115 9.617 -9.074 1051 1H22 JN3 130 1H22 JN3 130 0.417 11.467 -7.427 1052 2H22 JN3 130 2H22 JN3 130 -0.193 11.320 -5.742 1053 1H23 JN3 130 1H23 JN3 130 -1.951 13.132 -6.563 1054 2H23 JN3 130 2H23 JN3 130 -0.753 13.468 -7.787 1055 1H1 JN3 131 1H1 JN3 131 4.918 -4.802 -4.854 1056 2H1 JN3 131 2H1 JN3 131 3.337 -4.890 -4.007 1057 1H2 JN3 131 1H2 JN3 131 2.273 -3.765 -5.848 1058 2H2 JN3 131 2H2 JN3 131 3.123 -5.266 -6.386 1059 H3 JN3 131 H3 JN3 131 5.124 -3.861 -7.155 1060 HO3 JN3 131 HO3 JN3 131 3.632 -2.254 -8.616 1061 1H4 JN3 131 1H4 JN3 131 3.458 -1.466 -6.253 1062 2H4 JN3 131 2H4 JN3 131 5.034 -1.383 -7.062 1063 H5 JN3 131 H5 JN3 131 6.084 -2.671 -5.062 1064 1H6 JN3 131 1H6 JN3 131 6.112 -0.157 -4.981 1065 2H6 JN3 131 2H6 JN3 131 5.998 -0.892 -3.389 1066 H7 JN3 131 H7 JN3 131 4.444 1.044 -3.637 1067 HO7 JN3 131 HO7 JN3 131 3.519 1.236 -5.552 1068 H8 JN3 131 H8 JN3 131 3.854 -0.782 -2.093 1069 H9 JN3 131 H9 JN3 131 2.277 -1.941 -4.584 1070 1H11 JN3 131 1H11 JN3 131 2.453 -3.009 -1.690 1071 2H11 JN3 131 2H11 JN3 131 1.657 -3.855 -3.018 1072 1H12 JN3 131 1H12 JN3 131 -0.048 -2.635 -1.704 1073 2H12 JN3 131 2H12 JN3 131 0.083 -1.867 -3.288 1074 H14 JN3 131 H14 JN3 131 1.334 0.305 -3.595 1075 1H15 JN3 131 1H15 JN3 131 2.317 2.279 -2.710 1076 2H15 JN3 131 2H15 JN3 131 2.843 1.475 -1.235 1077 1H16 JN3 131 1H16 JN3 131 0.178 2.537 -1.909 1078 2H16 JN3 131 2H16 JN3 131 0.790 1.955 -0.318 1079 H17 JN3 131 H17 JN3 131 -0.779 0.388 -2.449 1080 1H18 JN3 131 1H18 JN3 131 1.964 0.041 0.234 1081 2H18 JN3 131 2H18 JN3 131 1.144 -1.523 0.450 1082 3H18 JN3 131 3H18 JN3 131 2.694 -1.444 -0.421 1083 1H19 JN3 131 1H19 JN3 131 5.262 -2.357 -2.202 1084 2H19 JN3 131 2H19 JN3 131 4.437 -3.928 -2.063 1085 3H19 JN3 131 3H19 JN3 131 5.967 -3.803 -2.962 1086 H20 JN3 131 H20 JN3 131 -0.800 -0.155 0.516 1087 1H21 JN3 131 1H21 JN3 131 -3.032 -0.908 0.237 1088 2H21 JN3 131 2H21 JN3 131 -2.919 -0.649 -1.520 1089 3H21 JN3 131 3H21 JN3 131 -1.887 -1.866 -0.731 1090 1H22 JN3 131 1H22 JN3 131 -3.095 1.310 0.011 1091 2H22 JN3 131 2H22 JN3 131 -1.847 2.165 -0.959 1092 1H23 JN3 131 1H23 JN3 131 -0.946 3.116 0.904 1093 2H23 JN3 131 2H23 JN3 131 -0.986 1.625 1.811 Start of MODEL 20 1 1H ALA 1 1H ALA 1 7.872 -12.670 -18.467 2 2H ALA 1 2H ALA 1 7.627 -11.013 -18.749 3 3H ALA 1 3H ALA 1 6.474 -11.908 -17.881 4 HA ALA 1 HA ALA 1 8.077 -12.267 -16.085 5 1HB ALA 1 1HB ALA 1 9.754 -10.712 -18.067 6 2HB ALA 1 2HB ALA 1 10.218 -10.882 -16.374 7 3HB ALA 1 3HB ALA 1 10.077 -12.311 -17.398 8 H PHE 2 H PHE 2 8.299 -10.614 -14.393 9 HA PHE 2 HA PHE 2 6.354 -8.459 -14.647 10 1HB PHE 2 1HB PHE 2 8.308 -9.412 -12.542 11 2HB PHE 2 2HB PHE 2 7.268 -8.011 -12.282 12 HD1 PHE 2 HD1 PHE 2 7.356 -11.665 -12.781 13 HD2 PHE 2 HD2 PHE 2 4.857 -8.248 -12.054 14 HE1 PHE 2 HE1 PHE 2 5.474 -13.167 -12.191 15 HE2 PHE 2 HE2 PHE 2 2.974 -9.751 -11.463 16 HZ PHE 2 HZ PHE 2 3.283 -12.211 -11.532 17 H SER 3 H SER 3 9.887 -8.708 -14.676 18 HA SER 3 HA SER 3 10.599 -5.994 -14.330 19 1HB SER 3 1HB SER 3 12.656 -6.678 -15.439 20 2HB SER 3 2HB SER 3 12.079 -8.026 -14.462 21 HG SER 3 HG SER 3 12.145 -9.090 -16.269 22 H GLY 4 H GLY 4 10.798 -4.252 -15.802 23 1HA GLY 4 1HA GLY 4 10.854 -3.698 -18.312 24 2HA GLY 4 2HA GLY 4 9.356 -4.626 -18.394 25 H THR 5 H THR 5 8.723 -2.354 -19.288 26 HA THR 5 HA THR 5 7.969 -0.539 -17.025 27 HB THR 5 HB THR 5 7.669 1.052 -19.062 28 HG1 THR 5 HG1 THR 5 7.788 -0.790 -20.532 29 1HG2 THR 5 1HG2 THR 5 10.333 1.077 -19.256 30 2HG2 THR 5 2HG2 THR 5 9.508 1.614 -17.793 31 3HG2 THR 5 3HG2 THR 5 10.192 -0.010 -17.874 32 H TRP 6 H TRP 6 5.812 -0.445 -16.527 33 HA TRP 6 HA TRP 6 3.857 -1.514 -18.538 34 1HB TRP 6 1HB TRP 6 3.808 -1.433 -15.502 35 2HB TRP 6 2HB TRP 6 2.530 -2.107 -16.514 36 HD1 TRP 6 HD1 TRP 6 5.753 -2.977 -14.894 37 HE1 TRP 6 HE1 TRP 6 6.515 -5.329 -15.621 38 HE3 TRP 6 HE3 TRP 6 2.516 -3.796 -18.757 39 HZ2 TRP 6 HZ2 TRP 6 5.841 -7.298 -17.584 40 HZ3 TRP 6 HZ3 TRP 6 2.597 -5.917 -20.038 41 HH2 TRP 6 HH2 TRP 6 4.254 -7.667 -19.456 42 H GLN 7 H GLN 7 2.020 -0.252 -18.970 43 HA GLN 7 HA GLN 7 1.843 2.393 -17.563 44 1HB GLN 7 1HB GLN 7 2.883 2.491 -19.833 45 2HB GLN 7 2HB GLN 7 1.415 1.779 -20.505 46 1HG GLN 7 1HG GLN 7 0.092 3.680 -19.723 47 2HG GLN 7 2HG GLN 7 1.514 4.378 -18.947 48 1HE2 GLN 7 2HE2 GLN 7 -0.028 5.668 -21.091 49 2HE2 GLN 7 1HE2 GLN 7 1.022 5.849 -22.411 50 H VAL 8 H VAL 8 -0.093 2.412 -16.484 51 HA VAL 8 HA VAL 8 -2.264 0.615 -16.964 52 HB VAL 8 HB VAL 8 -2.243 3.355 -15.657 53 1HG1 VAL 8 1HG1 VAL 8 -4.064 0.949 -15.477 54 2HG1 VAL 8 2HG1 VAL 8 -4.011 2.178 -14.213 55 3HG1 VAL 8 3HG1 VAL 8 -4.497 2.617 -15.850 56 1HG2 VAL 8 1HG2 VAL 8 -1.284 0.645 -14.781 57 2HG2 VAL 8 2HG2 VAL 8 -0.539 2.223 -14.528 58 3HG2 VAL 8 3HG2 VAL 8 -1.951 1.753 -13.582 59 H TYR 9 H TYR 9 -4.200 0.905 -18.130 60 HA TYR 9 HA TYR 9 -4.602 3.455 -19.612 61 1HB TYR 9 1HB TYR 9 -4.798 2.153 -21.728 62 2HB TYR 9 2HB TYR 9 -3.188 2.022 -21.021 63 HD1 TYR 9 HD1 TYR 9 -6.529 0.315 -20.922 64 HD2 TYR 9 HD2 TYR 9 -2.258 -0.098 -20.729 65 HE1 TYR 9 HE1 TYR 9 -6.772 -2.151 -20.820 66 HE2 TYR 9 HE2 TYR 9 -2.501 -2.564 -20.626 67 HH TYR 9 HH TYR 9 -4.244 -4.270 -21.354 68 H ALA 10 H ALA 10 -5.809 0.622 -18.085 69 HA ALA 10 HA ALA 10 -8.606 1.505 -18.668 70 1HB ALA 10 1HB ALA 10 -7.337 -1.220 -18.998 71 2HB ALA 10 2HB ALA 10 -9.083 -1.027 -18.831 72 3HB ALA 10 3HB ALA 10 -8.240 -0.288 -20.193 73 H GLN 11 H GLN 11 -9.975 1.300 -16.879 74 HA GLN 11 HA GLN 11 -9.172 -0.337 -14.558 75 1HB GLN 11 1HB GLN 11 -9.099 1.660 -13.076 76 2HB GLN 11 2HB GLN 11 -7.863 1.739 -14.333 77 1HG GLN 11 1HG GLN 11 -10.444 2.903 -15.134 78 2HG GLN 11 2HG GLN 11 -9.671 3.741 -13.788 79 1HE2 GLN 11 2HE2 GLN 11 -7.259 4.291 -14.172 80 2HE2 GLN 11 1HE2 GLN 11 -6.804 4.725 -15.748 81 H GLU 12 H GLU 12 -10.901 -0.238 -12.845 82 HA GLU 12 HA GLU 12 -13.524 0.795 -13.839 83 1HB GLU 12 1HB GLU 12 -13.012 -1.657 -14.419 84 2HB GLU 12 2HB GLU 12 -13.126 -1.974 -12.687 85 1HG GLU 12 1HG GLU 12 -15.326 -2.350 -13.303 86 2HG GLU 12 2HG GLU 12 -15.404 -0.625 -12.943 87 H ASN 13 H ASN 13 -15.120 0.991 -12.081 88 HA ASN 13 HA ASN 13 -15.662 1.774 -9.910 89 1HB ASN 13 1HB ASN 13 -13.840 -0.562 -9.246 90 2HB ASN 13 2HB ASN 13 -15.127 0.083 -8.226 91 1HD2 ASN 13 2HD2 ASN 13 -14.565 -2.515 -10.110 92 2HD2 ASN 13 1HD2 ASN 13 -16.115 -2.781 -10.751 93 H TYR 14 H TYR 14 -13.353 3.086 -11.113 94 HA TYR 14 HA TYR 14 -11.153 3.250 -9.248 95 1HB TYR 14 1HB TYR 14 -11.172 3.856 -11.692 96 2HB TYR 14 2HB TYR 14 -12.148 5.267 -11.285 97 HD1 TYR 14 HD1 TYR 14 -11.181 6.755 -9.306 98 HD2 TYR 14 HD2 TYR 14 -8.851 4.087 -11.736 99 HE1 TYR 14 HE1 TYR 14 -9.124 8.008 -8.710 100 HE2 TYR 14 HE2 TYR 14 -6.795 5.338 -11.140 101 HH TYR 14 HH TYR 14 -6.448 8.007 -10.301 102 H GLU 15 H GLU 15 -13.820 5.554 -9.943 103 HA GLU 15 HA GLU 15 -13.309 7.419 -7.900 104 1HB GLU 15 1HB GLU 15 -15.789 6.390 -9.276 105 2HB GLU 15 2HB GLU 15 -15.896 7.672 -8.068 106 1HG GLU 15 1HG GLU 15 -14.160 7.749 -10.554 107 2HG GLU 15 2HG GLU 15 -15.688 8.605 -10.350 108 H GLU 16 H GLU 16 -15.649 4.701 -7.709 109 HA GLU 16 HA GLU 16 -16.375 4.887 -5.023 110 1HB GLU 16 1HB GLU 16 -15.895 2.570 -6.901 111 2HB GLU 16 2HB GLU 16 -16.526 2.309 -5.273 112 1HG GLU 16 1HG GLU 16 -17.764 4.056 -7.420 113 2HG GLU 16 2HG GLU 16 -18.391 2.513 -6.837 114 H PHE 17 H PHE 17 -13.520 3.191 -6.360 115 HA PHE 17 HA PHE 17 -12.477 2.121 -3.963 116 1HB PHE 17 1HB PHE 17 -11.761 1.831 -6.407 117 2HB PHE 17 2HB PHE 17 -10.862 3.337 -6.216 118 HD1 PHE 17 HD1 PHE 17 -11.434 0.466 -3.874 119 HD2 PHE 17 HD2 PHE 17 -8.585 2.815 -6.071 120 HE1 PHE 17 HE1 PHE 17 -9.578 -0.775 -2.795 121 HE2 PHE 17 HE2 PHE 17 -6.730 1.572 -4.991 122 HZ PHE 17 HZ PHE 17 -7.226 -0.222 -3.353 123 H LEU 18 H LEU 18 -11.514 5.215 -5.512 124 HA LEU 18 HA LEU 18 -9.832 6.211 -3.503 125 1HB LEU 18 1HB LEU 18 -11.420 7.190 -5.750 126 2HB LEU 18 2HB LEU 18 -11.272 8.402 -4.477 127 HG LEU 18 HG LEU 18 -9.254 7.434 -6.341 128 1HD1 LEU 18 1HD1 LEU 18 -10.055 9.829 -5.535 129 2HD1 LEU 18 2HD1 LEU 18 -8.828 9.582 -4.293 130 3HD1 LEU 18 3HD1 LEU 18 -8.375 9.557 -5.997 131 1HD2 LEU 18 1HD2 LEU 18 -8.623 6.022 -4.405 132 2HD2 LEU 18 2HD2 LEU 18 -7.416 7.271 -4.706 133 3HD2 LEU 18 3HD2 LEU 18 -8.568 7.458 -3.383 134 H LYS 19 H LYS 19 -13.388 6.503 -3.732 135 HA LYS 19 HA LYS 19 -13.865 8.165 -1.503 136 1HB LYS 19 1HB LYS 19 -15.359 5.868 -2.783 137 2HB LYS 19 2HB LYS 19 -16.065 6.818 -1.474 138 1HG LYS 19 1HG LYS 19 -15.723 8.881 -2.802 139 2HG LYS 19 2HG LYS 19 -15.060 7.914 -4.118 140 1HD LYS 19 1HD LYS 19 -17.196 6.675 -4.278 141 2HD LYS 19 2HD LYS 19 -17.861 7.672 -2.983 142 1HE LYS 19 1HE LYS 19 -17.780 9.651 -4.326 143 2HE LYS 19 2HE LYS 19 -16.753 8.865 -5.541 144 1HZ LYS 19 1HZ LYS 19 -19.499 7.994 -4.809 145 2HZ LYS 19 2HZ LYS 19 -19.104 8.882 -6.203 146 3HZ LYS 19 3HZ LYS 19 -18.513 7.304 -6.008 147 H ALA 20 H ALA 20 -13.229 4.674 -1.632 148 HA ALA 20 HA ALA 20 -13.809 4.180 1.169 149 1HB ALA 20 1HB ALA 20 -12.267 2.716 -0.994 150 2HB ALA 20 2HB ALA 20 -12.580 2.031 0.601 151 3HB ALA 20 3HB ALA 20 -13.926 2.413 -0.475 152 H LEU 21 H LEU 21 -10.817 4.763 -0.693 153 HA LEU 21 HA LEU 21 -8.908 4.340 1.342 154 1HB LEU 21 1HB LEU 21 -9.013 5.255 -1.278 155 2HB LEU 21 2HB LEU 21 -8.395 6.650 -0.392 156 HG LEU 21 HG LEU 21 -6.729 5.078 0.703 157 1HD1 LEU 21 1HD1 LEU 21 -8.018 3.001 0.150 158 2HD1 LEU 21 2HD1 LEU 21 -7.601 3.241 -1.547 159 3HD1 LEU 21 3HD1 LEU 21 -6.332 2.927 -0.363 160 1HD2 LEU 21 1HD2 LEU 21 -6.729 5.569 -2.284 161 2HD2 LEU 21 2HD2 LEU 21 -5.920 6.510 -1.031 162 3HD2 LEU 21 3HD2 LEU 21 -5.334 4.897 -1.438 163 H ALA 22 H ALA 22 -11.164 6.986 0.890 164 HA ALA 22 HA ALA 22 -11.767 8.632 2.518 165 1HB ALA 22 1HB ALA 22 -10.701 6.818 4.046 166 2HB ALA 22 2HB ALA 22 -9.264 7.840 4.007 167 3HB ALA 22 3HB ALA 22 -10.775 8.469 4.662 168 H LEU 23 H LEU 23 -9.717 8.811 0.230 169 HA LEU 23 HA LEU 23 -7.685 10.709 1.001 170 1HB LEU 23 1HB LEU 23 -8.946 9.670 -1.511 171 2HB LEU 23 2HB LEU 23 -7.917 11.098 -1.620 172 HG LEU 23 HG LEU 23 -7.103 8.466 -0.353 173 1HD1 LEU 23 1HD1 LEU 23 -7.132 9.379 -3.105 174 2HD1 LEU 23 2HD1 LEU 23 -5.479 9.085 -2.566 175 3HD1 LEU 23 3HD1 LEU 23 -6.682 7.799 -2.464 176 1HD2 LEU 23 1HD2 LEU 23 -5.701 11.104 -0.820 177 2HD2 LEU 23 2HD2 LEU 23 -5.879 10.220 0.694 178 3HD2 LEU 23 3HD2 LEU 23 -4.806 9.606 -0.564 179 HA PRO 24 HA PRO 24 -9.903 14.493 0.993 180 1HB PRO 24 1HB PRO 24 -8.184 16.192 -0.292 181 2HB PRO 24 2HB PRO 24 -7.889 15.576 1.347 182 1HG PRO 24 1HG PRO 24 -6.727 14.691 -1.244 183 2HG PRO 24 2HG PRO 24 -5.965 14.829 0.348 184 1HD PRO 24 1HD PRO 24 -6.801 12.463 -0.738 185 2HD PRO 24 2HD PRO 24 -6.676 12.760 1.010 186 H GLU 25 H GLU 25 -11.573 15.253 -0.273 187 HA GLU 25 HA GLU 25 -12.196 14.348 -2.843 188 1HB GLU 25 1HB GLU 25 -12.821 16.974 -1.455 189 2HB GLU 25 2HB GLU 25 -13.679 16.382 -2.879 190 1HG GLU 25 1HG GLU 25 -14.376 14.375 -1.659 191 2HG GLU 25 2HG GLU 25 -13.466 14.899 -0.241 192 H ASP 26 H ASP 26 -10.494 17.376 -1.976 193 HA ASP 26 HA ASP 26 -10.160 18.520 -4.507 194 1HB ASP 26 1HB ASP 26 -8.386 18.330 -2.064 195 2HB ASP 26 2HB ASP 26 -7.966 19.345 -3.444 196 H LEU 27 H LEU 27 -8.356 15.830 -3.048 197 HA LEU 27 HA LEU 27 -6.485 15.654 -5.310 198 1HB LEU 27 1HB LEU 27 -5.713 15.131 -3.085 199 2HB LEU 27 2HB LEU 27 -7.048 14.007 -2.827 200 HG LEU 27 HG LEU 27 -6.163 12.608 -4.708 201 1HD1 LEU 27 1HD1 LEU 27 -4.091 14.787 -4.666 202 2HD1 LEU 27 2HD1 LEU 27 -3.638 13.157 -5.165 203 3HD1 LEU 27 3HD1 LEU 27 -4.884 14.035 -6.049 204 1HD2 LEU 27 1HD2 LEU 27 -4.695 13.160 -2.170 205 2HD2 LEU 27 2HD2 LEU 27 -5.472 11.674 -2.716 206 3HD2 LEU 27 3HD2 LEU 27 -3.891 12.127 -3.352 207 H ILE 28 H ILE 28 -9.405 14.001 -4.170 208 HA ILE 28 HA ILE 28 -9.321 11.719 -5.878 209 HB ILE 28 HB ILE 28 -11.608 13.354 -4.733 210 1HG1 ILE 28 1HG1 ILE 28 -10.371 10.758 -3.769 211 2HG1 ILE 28 2HG1 ILE 28 -9.923 12.343 -3.140 212 1HG2 ILE 28 1HG2 ILE 28 -11.518 10.819 -6.309 213 2HG2 ILE 28 2HG2 ILE 28 -12.637 10.889 -4.948 214 3HG2 ILE 28 3HG2 ILE 28 -12.766 12.065 -6.255 215 1HD1 ILE 28 1HD1 ILE 28 -12.831 11.736 -3.232 216 2HD1 ILE 28 2HD1 ILE 28 -11.881 10.847 -2.042 217 3HD1 ILE 28 3HD1 ILE 28 -11.901 12.610 -2.014 218 H LYS 29 H LYS 29 -11.129 14.786 -6.352 219 HA LYS 29 HA LYS 29 -12.044 14.287 -8.979 220 1HB LYS 29 1HB LYS 29 -12.277 16.743 -9.051 221 2HB LYS 29 2HB LYS 29 -12.747 16.127 -7.466 222 1HG LYS 29 1HG LYS 29 -10.551 16.706 -6.556 223 2HG LYS 29 2HG LYS 29 -10.011 17.246 -8.145 224 1HD LYS 29 1HD LYS 29 -11.955 18.894 -8.107 225 2HD LYS 29 2HD LYS 29 -12.154 18.481 -6.405 226 1HE LYS 29 1HE LYS 29 -10.696 20.275 -6.181 227 2HE LYS 29 2HE LYS 29 -9.504 18.977 -6.397 228 1HZ LYS 29 1HZ LYS 29 -9.687 19.351 -8.824 229 2HZ LYS 29 2HZ LYS 29 -10.655 20.712 -8.516 230 3HZ LYS 29 3HZ LYS 29 -9.042 20.685 -7.992 231 H MET 30 H MET 30 -8.856 15.170 -7.834 232 HA MET 30 HA MET 30 -7.922 15.868 -10.565 233 1HB MET 30 1HB MET 30 -6.734 15.884 -7.780 234 2HB MET 30 2HB MET 30 -5.779 16.262 -9.214 235 1HG MET 30 1HG MET 30 -7.462 18.032 -9.795 236 2HG MET 30 2HG MET 30 -8.259 17.717 -8.253 237 1HE MET 30 1HE MET 30 -5.216 18.759 -10.160 238 2HE MET 30 2HE MET 30 -4.082 19.439 -8.996 239 3HE MET 30 3HE MET 30 -4.327 17.689 -9.079 240 H ALA 31 H ALA 31 -8.224 13.104 -8.602 241 HA ALA 31 HA ALA 31 -5.993 11.718 -10.048 242 1HB ALA 31 1HB ALA 31 -7.102 11.692 -7.314 243 2HB ALA 31 2HB ALA 31 -6.764 10.091 -7.971 244 3HB ALA 31 3HB ALA 31 -5.477 11.291 -7.868 245 H ARG 32 H ARG 32 -9.346 12.063 -9.978 246 HA ARG 32 HA ARG 32 -10.177 9.326 -10.442 247 1HB ARG 32 1HB ARG 32 -12.289 10.410 -11.034 248 2HB ARG 32 2HB ARG 32 -11.595 11.227 -9.632 249 1HG ARG 32 1HG ARG 32 -11.387 13.170 -10.759 250 2HG ARG 32 2HG ARG 32 -10.623 12.367 -12.132 251 1HD ARG 32 1HD ARG 32 -12.639 12.048 -13.242 252 2HD ARG 32 2HD ARG 32 -13.577 12.004 -11.736 253 HE ARG 32 HE ARG 32 -13.286 14.450 -11.566 254 1HH1 ARG 32 1HH1 ARG 32 -14.583 13.919 -14.260 255 2HH1 ARG 32 2HH1 ARG 32 -13.638 14.930 -15.300 256 1HH2 ARG 32 1HH2 ARG 32 -11.070 15.339 -13.006 257 2HH2 ARG 32 2HH2 ARG 32 -11.648 15.734 -14.590 258 H ASP 33 H ASP 33 -8.237 11.281 -12.290 259 HA ASP 33 HA ASP 33 -8.862 9.734 -14.747 260 1HB ASP 33 1HB ASP 33 -8.903 12.757 -14.488 261 2HB ASP 33 2HB ASP 33 -8.919 11.903 -16.032 262 H ILE 34 H ILE 34 -6.602 9.594 -12.980 263 HA ILE 34 HA ILE 34 -4.453 10.778 -14.710 264 HB ILE 34 HB ILE 34 -4.659 10.329 -11.721 265 1HG1 ILE 34 1HG1 ILE 34 -4.261 12.776 -13.472 266 2HG1 ILE 34 2HG1 ILE 34 -5.688 12.390 -12.508 267 1HG2 ILE 34 1HG2 ILE 34 -2.267 10.979 -13.454 268 2HG2 ILE 34 2HG2 ILE 34 -2.318 11.368 -11.734 269 3HG2 ILE 34 3HG2 ILE 34 -2.425 9.688 -12.263 270 1HD1 ILE 34 1HD1 ILE 34 -4.264 12.468 -10.454 271 2HD1 ILE 34 2HD1 ILE 34 -2.909 12.991 -11.454 272 3HD1 ILE 34 3HD1 ILE 34 -4.337 14.015 -11.297 273 H LYS 35 H LYS 35 -3.518 9.123 -15.852 274 HA LYS 35 HA LYS 35 -3.444 6.392 -14.654 275 1HB LYS 35 1HB LYS 35 -3.208 7.588 -17.413 276 2HB LYS 35 2HB LYS 35 -2.703 5.926 -17.110 277 1HG LYS 35 1HG LYS 35 -4.840 5.189 -16.899 278 2HG LYS 35 2HG LYS 35 -5.329 6.602 -15.964 279 1HD LYS 35 1HD LYS 35 -5.372 7.939 -18.068 280 2HD LYS 35 2HD LYS 35 -4.989 6.475 -18.975 281 1HE LYS 35 1HE LYS 35 -7.131 5.642 -17.452 282 2HE LYS 35 2HE LYS 35 -7.559 7.325 -17.818 283 1HZ LYS 35 1HZ LYS 35 -6.573 5.366 -19.823 284 2HZ LYS 35 2HZ LYS 35 -8.210 5.762 -19.601 285 3HZ LYS 35 3HZ LYS 35 -7.118 6.945 -20.130 286 HA PRO 36 HA PRO 36 0.859 7.808 -13.984 287 1HB PRO 36 1HB PRO 36 1.229 6.337 -11.705 288 2HB PRO 36 2HB PRO 36 0.475 7.943 -11.705 289 1HG PRO 36 1HG PRO 36 -0.796 5.258 -11.554 290 2HG PRO 36 2HG PRO 36 -1.233 6.763 -10.732 291 1HD PRO 36 1HD PRO 36 -2.543 5.794 -12.927 292 2HD PRO 36 2HD PRO 36 -2.476 7.517 -12.496 293 H ILE 37 H ILE 37 2.749 6.634 -14.517 294 HA ILE 37 HA ILE 37 2.324 3.947 -15.654 295 HB ILE 37 HB ILE 37 4.719 5.806 -15.490 296 1HG1 ILE 37 1HG1 ILE 37 3.375 5.310 -18.067 297 2HG1 ILE 37 2HG1 ILE 37 2.375 6.158 -16.886 298 1HG2 ILE 37 1HG2 ILE 37 4.261 3.131 -16.764 299 2HG2 ILE 37 2HG2 ILE 37 5.293 4.298 -17.589 300 3HG2 ILE 37 3HG2 ILE 37 5.703 3.754 -15.962 301 1HD1 ILE 37 1HD1 ILE 37 4.479 7.642 -16.506 302 2HD1 ILE 37 2HD1 ILE 37 5.023 6.993 -18.053 303 3HD1 ILE 37 3HD1 ILE 37 3.520 7.909 -17.961 304 H VAL 38 H VAL 38 4.208 2.326 -15.189 305 HA VAL 38 HA VAL 38 5.227 2.470 -12.402 306 HB VAL 38 HB VAL 38 3.308 0.396 -13.504 307 1HG1 VAL 38 1HG1 VAL 38 5.216 -0.601 -12.191 308 2HG1 VAL 38 2HG1 VAL 38 4.713 0.386 -10.818 309 3HG1 VAL 38 3HG1 VAL 38 3.631 -0.852 -11.457 310 1HG2 VAL 38 1HG2 VAL 38 3.204 2.356 -11.190 311 2HG2 VAL 38 2HG2 VAL 38 2.197 2.371 -12.638 312 3HG2 VAL 38 3HG2 VAL 38 2.014 1.081 -11.450 313 H GLU 39 H GLU 39 7.353 1.896 -12.604 314 HA GLU 39 HA GLU 39 8.143 0.038 -14.806 315 1HB GLU 39 1HB GLU 39 9.078 2.443 -14.308 316 2HB GLU 39 2HB GLU 39 10.005 1.623 -13.052 317 1HG GLU 39 1HG GLU 39 10.980 0.111 -14.700 318 2HG GLU 39 2HG GLU 39 9.986 0.816 -15.974 319 H ILE 40 H ILE 40 9.388 -1.832 -14.323 320 HA ILE 40 HA ILE 40 9.766 -2.482 -11.424 321 HB ILE 40 HB ILE 40 8.601 -4.285 -13.572 322 1HG1 ILE 40 1HG1 ILE 40 7.252 -2.877 -11.244 323 2HG1 ILE 40 2HG1 ILE 40 7.076 -2.432 -12.941 324 1HG2 ILE 40 1HG2 ILE 40 9.875 -5.400 -11.717 325 2HG2 ILE 40 2HG2 ILE 40 8.767 -4.651 -10.566 326 3HG2 ILE 40 3HG2 ILE 40 8.161 -5.819 -11.740 327 1HD1 ILE 40 1HD1 ILE 40 6.470 -5.058 -13.111 328 2HD1 ILE 40 2HD1 ILE 40 5.931 -4.742 -11.461 329 3HD1 ILE 40 3HD1 ILE 40 5.255 -3.817 -12.802 330 H GLN 41 H GLN 41 11.785 -3.334 -11.045 331 HA GLN 41 HA GLN 41 13.289 -4.498 -13.364 332 1HB GLN 41 1HB GLN 41 13.978 -2.178 -12.940 333 2HB GLN 41 2HB GLN 41 14.243 -2.552 -11.237 334 1HG GLN 41 1HG GLN 41 15.973 -4.204 -11.877 335 2HG GLN 41 2HG GLN 41 15.727 -3.791 -13.574 336 1HE2 GLN 41 2HE2 GLN 41 18.254 -3.405 -12.181 337 2HE2 GLN 41 1HE2 GLN 41 18.560 -1.737 -12.138 338 H GLN 42 H GLN 42 12.403 -6.511 -12.177 339 HA GLN 42 HA GLN 42 13.365 -7.196 -9.545 340 1HB GLN 42 1HB GLN 42 11.410 -8.209 -10.663 341 2HB GLN 42 2HB GLN 42 12.467 -8.892 -11.900 342 1HG GLN 42 1HG GLN 42 13.297 -9.518 -9.146 343 2HG GLN 42 2HG GLN 42 11.726 -10.187 -9.590 344 1HE2 GLN 42 2HE2 GLN 42 11.713 -11.396 -11.786 345 2HE2 GLN 42 1HE2 GLN 42 13.101 -12.288 -12.187 346 H LYS 43 H LYS 43 14.863 -9.169 -9.253 347 HA LYS 43 HA LYS 43 16.853 -9.720 -11.309 348 1HB LYS 43 1HB LYS 43 17.257 -7.642 -9.190 349 2HB LYS 43 2HB LYS 43 18.640 -8.636 -9.653 350 1HG LYS 43 1HG LYS 43 17.886 -8.047 -12.101 351 2HG LYS 43 2HG LYS 43 17.060 -6.698 -11.319 352 1HD LYS 43 1HD LYS 43 20.005 -7.344 -10.990 353 2HD LYS 43 2HD LYS 43 19.363 -6.096 -12.058 354 1HE LYS 43 1HE LYS 43 18.774 -4.700 -10.301 355 2HE LYS 43 2HE LYS 43 18.520 -6.053 -9.179 356 1HZ LYS 43 1HZ LYS 43 20.898 -6.483 -9.209 357 2HZ LYS 43 2HZ LYS 43 21.146 -5.184 -10.269 358 3HZ LYS 43 3HZ LYS 43 20.594 -4.895 -8.688 359 H GLY 44 H GLY 44 15.219 -11.367 -9.649 360 1HA GLY 44 1HA GLY 44 16.185 -13.557 -8.846 361 2HA GLY 44 2HA GLY 44 17.272 -12.590 -7.848 362 H ASP 45 H ASP 45 16.559 -11.915 -5.847 363 HA ASP 45 HA ASP 45 13.760 -12.689 -5.106 364 1HB ASP 45 1HB ASP 45 16.425 -12.603 -3.712 365 2HB ASP 45 2HB ASP 45 14.943 -12.530 -2.757 366 H ASP 46 H ASP 46 15.595 -10.003 -5.858 367 HA ASP 46 HA ASP 46 14.225 -8.235 -3.875 368 1HB ASP 46 1HB ASP 46 16.722 -8.202 -4.183 369 2HB ASP 46 2HB ASP 46 16.463 -7.664 -5.843 370 H PHE 47 H PHE 47 12.989 -6.433 -4.639 371 HA PHE 47 HA PHE 47 12.341 -6.452 -7.568 372 1HB PHE 47 1HB PHE 47 10.675 -6.845 -5.152 373 2HB PHE 47 2HB PHE 47 9.997 -5.744 -6.352 374 HD1 PHE 47 HD1 PHE 47 11.723 -9.073 -6.164 375 HD2 PHE 47 HD2 PHE 47 8.766 -6.644 -8.114 376 HE1 PHE 47 HE1 PHE 47 11.061 -11.006 -7.570 377 HE2 PHE 47 HE2 PHE 47 8.104 -8.577 -9.520 378 HZ PHE 47 HZ PHE 47 9.252 -10.758 -9.248 379 H VAL 48 H VAL 48 12.246 -4.406 -8.474 380 HA VAL 48 HA VAL 48 12.417 -2.068 -6.597 381 HB VAL 48 HB VAL 48 13.684 -2.511 -9.321 382 1HG1 VAL 48 1HG1 VAL 48 13.015 -0.118 -8.506 383 2HG1 VAL 48 2HG1 VAL 48 14.361 -0.309 -7.383 384 3HG1 VAL 48 3HG1 VAL 48 14.647 -0.381 -9.121 385 1HG2 VAL 48 1HG2 VAL 48 14.626 -2.835 -6.493 386 2HG2 VAL 48 2HG2 VAL 48 14.978 -3.828 -7.907 387 3HG2 VAL 48 3HG2 VAL 48 15.775 -2.267 -7.704 388 H VAL 49 H VAL 49 10.377 -1.152 -6.711 389 HA VAL 49 HA VAL 49 9.084 -0.910 -9.401 390 HB VAL 49 HB VAL 49 7.996 -0.703 -6.573 391 1HG1 VAL 49 1HG1 VAL 49 6.930 0.360 -8.900 392 2HG1 VAL 49 2HG1 VAL 49 6.133 -1.209 -8.780 393 3HG1 VAL 49 3HG1 VAL 49 6.012 -0.055 -7.452 394 1HG2 VAL 49 1HG2 VAL 49 8.805 -2.979 -7.410 395 2HG2 VAL 49 2HG2 VAL 49 7.115 -2.904 -6.914 396 3HG2 VAL 49 3HG2 VAL 49 7.533 -2.879 -8.627 397 H THR 50 H THR 50 8.919 1.123 -10.280 398 HA THR 50 HA THR 50 9.233 3.486 -8.462 399 HB THR 50 HB THR 50 10.498 3.030 -11.186 400 HG1 THR 50 HG1 THR 50 12.098 2.230 -10.114 401 1HG2 THR 50 1HG2 THR 50 11.851 5.091 -10.187 402 2HG2 THR 50 2HG2 THR 50 10.341 5.333 -11.066 403 3HG2 THR 50 3HG2 THR 50 10.347 5.346 -9.303 404 H SER 51 H SER 51 7.153 4.326 -8.591 405 HA SER 51 HA SER 51 5.693 4.326 -11.161 406 1HB SER 51 1HB SER 51 5.089 5.243 -8.336 407 2HB SER 51 2HB SER 51 3.937 5.375 -9.661 408 HG SER 51 HG SER 51 4.360 3.299 -8.135 409 H LYS 52 H LYS 52 5.428 6.149 -12.441 410 HA LYS 52 HA LYS 52 6.498 8.749 -11.395 411 1HB LYS 52 1HB LYS 52 6.906 7.407 -14.088 412 2HB LYS 52 2HB LYS 52 7.424 9.052 -13.713 413 1HG LYS 52 1HG LYS 52 8.823 8.176 -11.863 414 2HG LYS 52 2HG LYS 52 8.335 6.534 -12.287 415 1HD LYS 52 1HD LYS 52 9.608 8.379 -14.311 416 2HD LYS 52 2HD LYS 52 10.578 7.361 -13.244 417 1HE LYS 52 1HE LYS 52 9.097 5.403 -14.072 418 2HE LYS 52 2HE LYS 52 8.620 6.503 -15.381 419 1HZ LYS 52 1HZ LYS 52 11.449 6.039 -14.620 420 2HZ LYS 52 2HZ LYS 52 10.666 5.126 -15.821 421 3HZ LYS 52 3HZ LYS 52 10.857 6.799 -16.019 422 H THR 53 H THR 53 4.932 10.304 -11.522 423 HA THR 53 HA THR 53 2.672 9.897 -13.444 424 HB THR 53 HB THR 53 2.210 11.960 -11.512 425 HG1 THR 53 HG1 THR 53 2.465 10.485 -9.661 426 1HG2 THR 53 1HG2 THR 53 1.048 9.321 -10.972 427 2HG2 THR 53 2HG2 THR 53 0.246 10.845 -11.355 428 3HG2 THR 53 3HG2 THR 53 0.875 9.828 -12.652 429 HA PRO 54 HA PRO 54 3.706 13.551 -15.639 430 1HB PRO 54 1HB PRO 54 1.285 14.779 -15.983 431 2HB PRO 54 2HB PRO 54 1.746 13.296 -16.842 432 1HG PRO 54 1HG PRO 54 0.001 13.639 -14.458 433 2HG PRO 54 2HG PRO 54 -0.162 12.527 -15.827 434 1HD PRO 54 1HD PRO 54 0.790 11.788 -13.372 435 2HD PRO 54 2HD PRO 54 1.220 10.966 -14.890 436 H ARG 55 H ARG 55 2.037 13.876 -12.599 437 HA ARG 55 HA ARG 55 2.768 16.771 -12.429 438 1HB ARG 55 1HB ARG 55 0.425 16.132 -12.027 439 2HB ARG 55 2HB ARG 55 0.939 14.996 -10.779 440 1HG ARG 55 1HG ARG 55 1.900 16.867 -9.477 441 2HG ARG 55 2HG ARG 55 1.357 17.999 -10.716 442 1HD ARG 55 1HD ARG 55 -0.965 17.500 -10.270 443 2HD ARG 55 2HD ARG 55 -0.520 16.152 -9.203 444 HE ARG 55 HE ARG 55 -0.422 18.982 -8.495 445 1HH1 ARG 55 1HH1 ARG 55 2.371 18.164 -8.032 446 2HH1 ARG 55 2HH1 ARG 55 2.323 17.497 -6.435 447 1HH2 ARG 55 1HH2 ARG 55 -1.124 17.121 -6.409 448 2HH2 ARG 55 2HH2 ARG 55 0.344 16.906 -5.515 449 H GLN 56 H GLN 56 3.508 13.610 -11.154 450 HA GLN 56 HA GLN 56 5.768 14.719 -9.626 451 1HB GLN 56 1HB GLN 56 4.935 13.789 -7.485 452 2HB GLN 56 2HB GLN 56 3.819 14.995 -8.127 453 1HG GLN 56 1HG GLN 56 2.263 13.374 -8.816 454 2HG GLN 56 2HG GLN 56 3.462 12.080 -8.794 455 1HE2 GLN 56 2HE2 GLN 56 4.505 11.872 -6.401 456 2HE2 GLN 56 1HE2 GLN 56 3.362 11.847 -5.145 457 H THR 57 H THR 57 7.151 12.941 -8.775 458 HA THR 57 HA THR 57 6.589 10.287 -10.051 459 HB THR 57 HB THR 57 9.178 10.360 -10.411 460 HG1 THR 57 HG1 THR 57 9.967 12.132 -9.620 461 1HG2 THR 57 1HG2 THR 57 7.782 12.377 -12.117 462 2HG2 THR 57 2HG2 THR 57 8.795 11.015 -12.592 463 3HG2 THR 57 3HG2 THR 57 7.134 10.737 -12.071 464 H VAL 58 H VAL 58 6.765 8.646 -8.572 465 HA VAL 58 HA VAL 58 8.425 9.130 -6.118 466 HB VAL 58 HB VAL 58 5.791 7.650 -6.423 467 1HG1 VAL 58 1HG1 VAL 58 7.509 8.294 -4.009 468 2HG1 VAL 58 2HG1 VAL 58 5.862 7.669 -3.915 469 3HG1 VAL 58 3HG1 VAL 58 7.137 6.691 -4.642 470 1HG2 VAL 58 1HG2 VAL 58 6.537 10.433 -5.587 471 2HG2 VAL 58 2HG2 VAL 58 5.157 9.886 -6.540 472 3HG2 VAL 58 3HG2 VAL 58 5.173 9.646 -4.793 473 H THR 59 H THR 59 10.010 7.605 -5.864 474 HA THR 59 HA THR 59 9.764 5.046 -7.407 475 HB THR 59 HB THR 59 12.186 6.530 -6.332 476 HG1 THR 59 HG1 THR 59 12.476 7.030 -8.547 477 1HG2 THR 59 1HG2 THR 59 13.118 4.901 -8.277 478 2HG2 THR 59 2HG2 THR 59 13.054 4.429 -6.578 479 3HG2 THR 59 3HG2 THR 59 11.778 3.919 -7.684 480 H ASN 60 H ASN 60 10.018 3.095 -6.289 481 HA ASN 60 HA ASN 60 10.691 3.229 -3.378 482 1HB ASN 60 1HB ASN 60 8.300 1.880 -4.675 483 2HB ASN 60 2HB ASN 60 8.723 1.755 -2.967 484 1HD2 ASN 60 2HD2 ASN 60 9.427 4.379 -2.324 485 2HD2 ASN 60 1HD2 ASN 60 8.100 5.411 -2.562 486 H SER 61 H SER 61 11.597 1.252 -2.570 487 HA SER 61 HA SER 61 12.050 -0.933 -4.555 488 1HB SER 61 1HB SER 61 14.173 0.476 -2.906 489 2HB SER 61 2HB SER 61 14.454 -0.871 -4.007 490 HG SER 61 HG SER 61 13.562 0.509 -5.670 491 H PHE 62 H PHE 62 11.904 -2.941 -3.588 492 HA PHE 62 HA PHE 62 12.336 -3.192 -0.656 493 1HB PHE 62 1HB PHE 62 10.088 -4.317 -0.492 494 2HB PHE 62 2HB PHE 62 9.986 -2.606 -0.903 495 HD1 PHE 62 HD1 PHE 62 9.852 -6.049 -2.295 496 HD2 PHE 62 HD2 PHE 62 9.121 -1.876 -3.011 497 HE1 PHE 62 HE1 PHE 62 8.638 -6.619 -4.380 498 HE2 PHE 62 HE2 PHE 62 7.907 -2.447 -5.097 499 HZ PHE 62 HZ PHE 62 7.665 -4.819 -5.782 500 H THR 63 H THR 63 12.286 -5.562 -0.022 501 HA THR 63 HA THR 63 13.224 -7.270 -2.305 502 HB THR 63 HB THR 63 13.920 -7.355 0.650 503 HG1 THR 63 HG1 THR 63 14.756 -5.519 -0.338 504 1HG2 THR 63 1HG2 THR 63 15.231 -8.726 -1.711 505 2HG2 THR 63 2HG2 THR 63 15.648 -8.922 -0.009 506 3HG2 THR 63 3HG2 THR 63 14.101 -9.516 -0.612 507 H LEU 64 H LEU 64 12.499 -9.469 -2.322 508 HA LEU 64 HA LEU 64 9.865 -9.916 -1.140 509 1HB LEU 64 1HB LEU 64 11.806 -11.463 -2.865 510 2HB LEU 64 2HB LEU 64 10.303 -12.192 -2.298 511 HG LEU 64 HG LEU 64 10.304 -9.508 -3.674 512 1HD1 LEU 64 1HD1 LEU 64 10.586 -12.245 -4.851 513 2HD1 LEU 64 2HD1 LEU 64 9.534 -11.091 -5.672 514 3HD1 LEU 64 3HD1 LEU 64 11.237 -10.708 -5.420 515 1HD2 LEU 64 1HD2 LEU 64 8.310 -11.659 -2.994 516 2HD2 LEU 64 2HD2 LEU 64 8.214 -9.923 -2.693 517 3HD2 LEU 64 3HD2 LEU 64 7.989 -10.550 -4.327 518 H GLY 65 H GLY 65 9.528 -10.814 0.853 519 1HA GLY 65 1HA GLY 65 9.862 -12.520 2.528 520 2HA GLY 65 2HA GLY 65 11.490 -12.776 1.903 521 H LYS 66 H LYS 66 10.912 -9.486 2.095 522 HA LYS 66 HA LYS 66 11.895 -9.290 4.912 523 1HB LYS 66 1HB LYS 66 13.152 -8.256 2.362 524 2HB LYS 66 2HB LYS 66 13.558 -7.578 3.940 525 1HG LYS 66 1HG LYS 66 14.148 -9.883 4.722 526 2HG LYS 66 2HG LYS 66 13.879 -10.467 3.080 527 1HD LYS 66 1HD LYS 66 16.226 -10.062 3.239 528 2HD LYS 66 2HD LYS 66 15.571 -8.702 2.327 529 1HE LYS 66 1HE LYS 66 16.832 -7.528 3.883 530 2HE LYS 66 2HE LYS 66 15.329 -7.686 4.815 531 1HZ LYS 66 1HZ LYS 66 16.206 -9.858 5.622 532 2HZ LYS 66 2HZ LYS 66 17.696 -9.478 4.905 533 3HZ LYS 66 3HZ LYS 66 17.091 -8.513 6.166 534 H GLU 67 H GLU 67 11.067 -7.490 5.979 535 HA GLU 67 HA GLU 67 8.840 -6.061 4.861 536 1HB GLU 67 1HB GLU 67 9.290 -6.557 7.273 537 2HB GLU 67 2HB GLU 67 10.614 -5.394 7.232 538 1HG GLU 67 1HG GLU 67 9.049 -3.602 6.621 539 2HG GLU 67 2HG GLU 67 7.715 -4.757 6.611 540 H ALA 68 H ALA 68 8.906 -4.334 3.480 541 HA ALA 68 HA ALA 68 11.378 -2.630 3.462 542 1HB ALA 68 1HB ALA 68 10.628 -4.334 1.515 543 2HB ALA 68 2HB ALA 68 9.673 -2.932 1.032 544 3HB ALA 68 3HB ALA 68 11.427 -2.803 1.160 545 H ASP 69 H ASP 69 11.013 -0.374 3.210 546 HA ASP 69 HA ASP 69 8.381 0.585 4.070 547 1HB ASP 69 1HB ASP 69 9.594 2.776 3.994 548 2HB ASP 69 2HB ASP 69 10.465 1.549 4.913 549 H ILE 70 H ILE 70 6.836 1.531 2.752 550 HA ILE 70 HA ILE 70 7.565 2.001 -0.122 551 HB ILE 70 HB ILE 70 5.159 0.662 1.143 552 1HG1 ILE 70 1HG1 ILE 70 7.222 -0.697 0.725 553 2HG1 ILE 70 2HG1 ILE 70 5.843 -1.233 -0.236 554 1HG2 ILE 70 1HG2 ILE 70 5.248 2.280 -1.212 555 2HG2 ILE 70 2HG2 ILE 70 5.068 0.599 -1.713 556 3HG2 ILE 70 3HG2 ILE 70 3.901 1.319 -0.603 557 1HD1 ILE 70 1HD1 ILE 70 7.187 0.806 -1.711 558 2HD1 ILE 70 2HD1 ILE 70 8.401 -0.348 -1.160 559 3HD1 ILE 70 3HD1 ILE 70 7.027 -0.903 -2.117 560 H THR 71 H THR 71 6.690 3.889 -1.018 561 HA THR 71 HA THR 71 5.135 5.637 0.860 562 HB THR 71 HB THR 71 6.789 6.492 -1.524 563 HG1 THR 71 HG1 THR 71 8.551 6.400 -0.320 564 1HG2 THR 71 1HG2 THR 71 6.294 7.960 1.063 565 2HG2 THR 71 2HG2 THR 71 6.775 8.620 -0.501 566 3HG2 THR 71 3HG2 THR 71 5.133 8.024 -0.264 567 H THR 72 H THR 72 3.194 6.503 0.112 568 HA THR 72 HA THR 72 2.156 5.439 -2.456 569 HB THR 72 HB THR 72 0.005 6.251 -1.505 570 HG1 THR 72 HG1 THR 72 1.520 6.984 0.762 571 1HG2 THR 72 1HG2 THR 72 1.148 4.952 0.871 572 2HG2 THR 72 2HG2 THR 72 -0.148 4.409 -0.196 573 3HG2 THR 72 3HG2 THR 72 1.536 4.133 -0.642 574 H MET 73 H MET 73 1.081 6.918 -3.976 575 HA MET 73 HA MET 73 2.594 9.328 -4.499 576 1HB MET 73 1HB MET 73 1.211 7.620 -5.995 577 2HB MET 73 2HB MET 73 -0.099 8.762 -5.692 578 1HG MET 73 1HG MET 73 1.444 10.606 -6.465 579 2HG MET 73 2HG MET 73 2.591 9.359 -6.952 580 1HE MET 73 1HE MET 73 1.687 7.203 -8.357 581 2HE MET 73 2HE MET 73 0.140 7.179 -7.499 582 3HE MET 73 3HE MET 73 0.174 7.195 -9.260 583 H ASP 74 H ASP 74 -0.092 8.661 -2.473 584 HA ASP 74 HA ASP 74 -1.252 11.368 -2.622 585 1HB ASP 74 1HB ASP 74 -2.848 10.441 -1.057 586 2HB ASP 74 2HB ASP 74 -2.510 9.196 -2.260 587 H GLY 75 H GLY 75 1.310 9.827 -0.948 588 1HA GLY 75 1HA GLY 75 2.848 11.178 0.394 589 2HA GLY 75 2HA GLY 75 1.471 12.152 0.914 590 H LYS 76 H LYS 76 1.180 8.681 0.782 591 HA LYS 76 HA LYS 76 0.948 8.646 3.759 592 1HB LYS 76 1HB LYS 76 -0.374 7.408 1.465 593 2HB LYS 76 2HB LYS 76 0.069 6.219 2.691 594 1HG LYS 76 1HG LYS 76 -0.991 7.745 4.414 595 2HG LYS 76 2HG LYS 76 -1.611 8.709 3.073 596 1HD LYS 76 1HD LYS 76 -2.560 6.469 2.175 597 2HD LYS 76 2HD LYS 76 -2.286 5.865 3.810 598 1HE LYS 76 1HE LYS 76 -3.925 7.224 4.733 599 2HE LYS 76 2HE LYS 76 -3.724 8.480 3.494 600 1HZ LYS 76 1HZ LYS 76 -4.611 6.902 1.853 601 2HZ LYS 76 2HZ LYS 76 -4.902 5.780 3.095 602 3HZ LYS 76 3HZ LYS 76 -5.743 7.255 3.066 603 H LYS 77 H LYS 77 2.359 7.403 4.976 604 HA LYS 77 HA LYS 77 4.459 5.877 3.480 605 1HB LYS 77 1HB LYS 77 4.386 7.267 6.174 606 2HB LYS 77 2HB LYS 77 5.749 6.292 5.623 607 1HG LYS 77 1HG LYS 77 5.982 7.752 3.638 608 2HG LYS 77 2HG LYS 77 4.642 8.742 4.218 609 1HD LYS 77 1HD LYS 77 7.007 8.226 6.003 610 2HD LYS 77 2HD LYS 77 7.094 9.479 4.766 611 1HE LYS 77 1HE LYS 77 4.944 10.440 5.703 612 2HE LYS 77 2HE LYS 77 5.111 9.302 7.056 613 1HZ LYS 77 1HZ LYS 77 7.251 11.165 6.178 614 2HZ LYS 77 2HZ LYS 77 6.188 11.487 7.464 615 3HZ LYS 77 3HZ LYS 77 7.262 10.174 7.554 616 H LEU 78 H LEU 78 4.655 3.691 3.898 617 HA LEU 78 HA LEU 78 3.715 2.484 6.388 618 1HB LEU 78 1HB LEU 78 1.897 1.196 5.304 619 2HB LEU 78 2HB LEU 78 1.606 2.931 5.175 620 HG LEU 78 HG LEU 78 3.206 1.857 2.960 621 1HD1 LEU 78 1HD1 LEU 78 0.650 0.578 3.743 622 2HD1 LEU 78 2HD1 LEU 78 0.771 1.054 2.049 623 3HD1 LEU 78 3HD1 LEU 78 1.962 -0.047 2.743 624 1HD2 LEU 78 1HD2 LEU 78 0.855 3.672 3.408 625 2HD2 LEU 78 2HD2 LEU 78 2.396 4.018 2.623 626 3HD2 LEU 78 3HD2 LEU 78 1.172 3.065 1.782 627 H LYS 79 H LYS 79 4.339 0.231 6.505 628 HA LYS 79 HA LYS 79 6.404 -0.521 4.494 629 1HB LYS 79 1HB LYS 79 5.737 -1.785 7.166 630 2HB LYS 79 2HB LYS 79 7.248 -1.915 6.265 631 1HG LYS 79 1HG LYS 79 7.839 0.335 6.707 632 2HG LYS 79 2HG LYS 79 6.199 0.755 7.201 633 1HD LYS 79 1HD LYS 79 6.404 -0.659 9.190 634 2HD LYS 79 2HD LYS 79 8.018 -1.164 8.686 635 1HE LYS 79 1HE LYS 79 8.974 0.767 9.436 636 2HE LYS 79 2HE LYS 79 7.652 1.768 8.805 637 1HZ LYS 79 1HZ LYS 79 7.372 -0.023 11.154 638 2HZ LYS 79 2HZ LYS 79 7.743 1.629 11.285 639 3HZ LYS 79 3HZ LYS 79 6.263 1.139 10.608 640 H CYS 80 H CYS 80 6.402 -2.712 3.625 641 HA CYS 80 HA CYS 80 4.020 -4.403 4.032 642 1HB CYS 80 1HB CYS 80 4.463 -2.570 1.736 643 2HB CYS 80 2HB CYS 80 3.899 -4.191 1.327 644 HG CYS 80 HG CYS 80 1.694 -3.730 2.423 645 H THR 81 H THR 81 4.609 -6.531 3.714 646 HA THR 81 HA THR 81 7.326 -7.069 2.630 647 HB THR 81 HB THR 81 5.421 -9.046 3.879 648 HG1 THR 81 HG1 THR 81 7.129 -7.266 5.270 649 1HG2 THR 81 1HG2 THR 81 7.865 -9.548 4.899 650 2HG2 THR 81 2HG2 THR 81 7.315 -10.229 3.368 651 3HG2 THR 81 3HG2 THR 81 8.338 -8.793 3.377 652 H VAL 82 H VAL 82 6.999 -7.012 0.354 653 HA VAL 82 HA VAL 82 4.771 -8.279 -0.980 654 HB VAL 82 HB VAL 82 7.552 -7.543 -1.951 655 1HG1 VAL 82 1HG1 VAL 82 4.931 -8.069 -3.375 656 2HG1 VAL 82 2HG1 VAL 82 6.300 -7.264 -4.141 657 3HG1 VAL 82 3HG1 VAL 82 6.456 -8.929 -3.585 658 1HG2 VAL 82 1HG2 VAL 82 5.490 -5.911 -0.912 659 2HG2 VAL 82 2HG2 VAL 82 6.928 -5.382 -1.785 660 3HG2 VAL 82 3HG2 VAL 82 5.434 -5.709 -2.664 661 H HIS 83 H HIS 83 4.638 -10.359 -1.868 662 HA HIS 83 HA HIS 83 7.005 -12.160 -1.583 663 1HB HIS 83 1HB HIS 83 5.474 -13.841 -0.553 664 2HB HIS 83 2HB HIS 83 5.611 -12.380 0.425 665 HD1 HIS 83 HD1 HIS 83 3.490 -11.090 0.878 666 HD2 HIS 83 HD2 HIS 83 2.992 -13.928 -2.135 667 HE1 HIS 83 HE1 HIS 83 1.017 -11.133 0.336 668 H LEU 84 H LEU 84 6.883 -14.027 -3.011 669 HA LEU 84 HA LEU 84 5.135 -13.551 -5.379 670 1HB LEU 84 1HB LEU 84 7.689 -15.070 -4.818 671 2HB LEU 84 2HB LEU 84 6.807 -15.275 -6.332 672 HG LEU 84 HG LEU 84 7.774 -12.612 -5.249 673 1HD1 LEU 84 1HD1 LEU 84 8.892 -14.470 -7.365 674 2HD1 LEU 84 2HD1 LEU 84 9.362 -12.777 -7.218 675 3HD1 LEU 84 3HD1 LEU 84 9.699 -13.904 -5.904 676 1HD2 LEU 84 1HD2 LEU 84 6.187 -13.500 -7.627 677 2HD2 LEU 84 2HD2 LEU 84 6.017 -12.043 -6.649 678 3HD2 LEU 84 3HD2 LEU 84 7.314 -12.161 -7.836 679 H ALA 85 H ALA 85 3.477 -14.961 -5.839 680 HA ALA 85 HA ALA 85 3.484 -17.655 -4.540 681 1HB ALA 85 1HB ALA 85 2.186 -16.015 -3.193 682 2HB ALA 85 2HB ALA 85 1.194 -15.662 -4.608 683 3HB ALA 85 3HB ALA 85 1.144 -17.265 -3.874 684 H ASN 86 H ASN 86 3.485 -18.999 -6.316 685 HA ASN 86 HA ASN 86 2.704 -20.009 -8.308 686 1HB ASN 86 1HB ASN 86 0.462 -18.160 -7.490 687 2HB ASN 86 2HB ASN 86 0.349 -19.117 -8.967 688 1HD2 ASN 86 2HD2 ASN 86 -1.433 -19.608 -6.797 689 2HD2 ASN 86 1HD2 ASN 86 -1.069 -21.125 -6.125 690 H GLY 87 H GLY 87 4.327 -17.441 -8.274 691 1HA GLY 87 1HA GLY 87 5.289 -16.151 -10.002 692 2HA GLY 87 2HA GLY 87 4.171 -16.912 -11.135 693 H LYS 88 H LYS 88 3.448 -15.059 -8.179 694 HA LYS 88 HA LYS 88 2.392 -12.812 -9.794 695 1HB LYS 88 1HB LYS 88 0.719 -14.666 -8.069 696 2HB LYS 88 2HB LYS 88 0.139 -13.122 -8.693 697 1HG LYS 88 1HG LYS 88 0.525 -13.881 -10.995 698 2HG LYS 88 2HG LYS 88 1.161 -15.414 -10.397 699 1HD LYS 88 1HD LYS 88 -1.227 -15.582 -11.098 700 2HD LYS 88 2HD LYS 88 -0.994 -15.961 -9.391 701 1HE LYS 88 1HE LYS 88 -1.588 -13.555 -8.859 702 2HE LYS 88 2HE LYS 88 -2.045 -13.366 -10.565 703 1HZ LYS 88 1HZ LYS 88 -3.488 -15.320 -10.324 704 2HZ LYS 88 2HZ LYS 88 -3.118 -15.388 -8.667 705 3HZ LYS 88 3HZ LYS 88 -3.962 -14.056 -9.292 706 H LEU 89 H LEU 89 3.148 -11.046 -8.697 707 HA LEU 89 HA LEU 89 4.058 -11.130 -5.961 708 1HB LEU 89 1HB LEU 89 4.695 -9.615 -7.972 709 2HB LEU 89 2HB LEU 89 3.283 -8.660 -7.515 710 HG LEU 89 HG LEU 89 5.170 -9.404 -5.333 711 1HD1 LEU 89 1HD1 LEU 89 5.862 -7.695 -7.681 712 2HD1 LEU 89 2HD1 LEU 89 6.335 -7.113 -6.084 713 3HD1 LEU 89 3HD1 LEU 89 6.911 -8.677 -6.659 714 1HD2 LEU 89 1HD2 LEU 89 3.359 -7.119 -6.088 715 2HD2 LEU 89 2HD2 LEU 89 3.364 -8.089 -4.615 716 3HD2 LEU 89 3HD2 LEU 89 4.621 -6.881 -4.879 717 H VAL 90 H VAL 90 3.010 -10.423 -4.079 718 HA VAL 90 HA VAL 90 0.307 -9.211 -4.285 719 HB VAL 90 HB VAL 90 0.980 -11.911 -3.086 720 1HG1 VAL 90 1HG1 VAL 90 -1.201 -9.979 -2.467 721 2HG1 VAL 90 2HG1 VAL 90 -1.663 -11.673 -2.635 722 3HG1 VAL 90 3HG1 VAL 90 -0.457 -11.202 -1.438 723 1HG2 VAL 90 1HG2 VAL 90 -0.653 -10.884 -5.379 724 2HG2 VAL 90 2HG2 VAL 90 0.383 -12.308 -5.293 725 3HG2 VAL 90 3HG2 VAL 90 -1.211 -12.330 -4.538 726 H THR 91 H THR 91 0.364 -7.546 -2.830 727 HA THR 91 HA THR 91 2.048 -7.868 -0.369 728 HB THR 91 HB THR 91 1.261 -5.524 -2.110 729 HG1 THR 91 HG1 THR 91 3.219 -7.028 -2.284 730 1HG2 THR 91 1HG2 THR 91 2.723 -4.267 -0.322 731 2HG2 THR 91 2HG2 THR 91 1.004 -4.523 -0.021 732 3HG2 THR 91 3HG2 THR 91 2.199 -5.573 0.741 733 H LYS 92 H LYS 92 0.417 -8.732 1.012 734 HA LYS 92 HA LYS 92 -2.192 -7.358 1.221 735 1HB LYS 92 1HB LYS 92 -2.609 -9.205 2.841 736 2HB LYS 92 2HB LYS 92 -2.009 -9.810 1.297 737 1HG LYS 92 1HG LYS 92 0.295 -9.858 2.253 738 2HG LYS 92 2HG LYS 92 -0.371 -9.365 3.810 739 1HD LYS 92 1HD LYS 92 -1.386 -11.807 2.349 740 2HD LYS 92 2HD LYS 92 -0.013 -11.887 3.455 741 1HE LYS 92 1HE LYS 92 -1.372 -11.806 5.270 742 2HE LYS 92 2HE LYS 92 -2.265 -10.419 4.615 743 1HZ LYS 92 1HZ LYS 92 -2.586 -13.240 3.731 744 2HZ LYS 92 2HZ LYS 92 -3.667 -12.405 4.741 745 3HZ LYS 92 3HZ LYS 92 -3.450 -11.904 3.136 746 H SER 93 H SER 93 -2.939 -6.752 3.489 747 HA SER 93 HA SER 93 -0.836 -6.061 5.435 748 1HB SER 93 1HB SER 93 -2.182 -4.125 3.581 749 2HB SER 93 2HB SER 93 -1.772 -3.590 5.209 750 HG SER 93 HG SER 93 0.115 -3.268 4.311 751 H GLU 94 H GLU 94 -2.203 -4.285 7.008 752 HA GLU 94 HA GLU 94 -4.583 -5.879 7.848 753 1HB GLU 94 1HB GLU 94 -2.584 -5.405 9.348 754 2HB GLU 94 2HB GLU 94 -3.066 -3.708 9.322 755 1HG GLU 94 1HG GLU 94 -3.987 -4.840 11.307 756 2HG GLU 94 2HG GLU 94 -5.282 -4.327 10.226 757 H LYS 95 H LYS 95 -4.704 -3.934 5.610 758 HA LYS 95 HA LYS 95 -7.098 -2.512 6.385 759 1HB LYS 95 1HB LYS 95 -6.106 -0.232 6.290 760 2HB LYS 95 2HB LYS 95 -5.414 -1.188 7.601 761 1HG LYS 95 1HG LYS 95 -3.353 -1.233 6.644 762 2HG LYS 95 2HG LYS 95 -4.009 -1.470 5.023 763 1HD LYS 95 1HD LYS 95 -2.998 0.691 4.996 764 2HD LYS 95 2HD LYS 95 -4.734 0.979 5.109 765 1HE LYS 95 1HE LYS 95 -4.530 1.258 7.564 766 2HE LYS 95 2HE LYS 95 -2.778 1.000 7.437 767 1HZ LYS 95 1HZ LYS 95 -2.721 2.826 5.795 768 2HZ LYS 95 2HZ LYS 95 -4.361 3.137 6.111 769 3HZ LYS 95 3HZ LYS 95 -3.209 3.345 7.337 770 H PHE 96 H PHE 96 -4.983 -3.745 4.138 771 HA PHE 96 HA PHE 96 -6.639 -3.117 1.878 772 1HB PHE 96 1HB PHE 96 -5.279 -1.436 0.802 773 2HB PHE 96 2HB PHE 96 -5.574 -0.884 2.451 774 HD1 PHE 96 HD1 PHE 96 -3.162 -3.253 0.807 775 HD2 PHE 96 HD2 PHE 96 -3.714 0.094 3.441 776 HE1 PHE 96 HE1 PHE 96 -0.718 -3.176 1.220 777 HE2 PHE 96 HE2 PHE 96 -1.270 0.172 3.855 778 HZ PHE 96 HZ PHE 96 0.229 -1.464 2.744 779 H SER 97 H SER 97 -6.015 -4.392 0.097 780 HA SER 97 HA SER 97 -3.486 -5.972 0.445 781 1HB SER 97 1HB SER 97 -6.138 -6.738 -0.817 782 2HB SER 97 2HB SER 97 -4.747 -7.801 -0.626 783 HG SER 97 HG SER 97 -6.612 -6.937 1.218 784 H HIS 98 H HIS 98 -2.432 -6.604 -1.591 785 HA HIS 98 HA HIS 98 -3.268 -5.073 -4.011 786 1HB HIS 98 1HB HIS 98 -1.673 -3.725 -2.645 787 2HB HIS 98 2HB HIS 98 -0.502 -5.040 -2.759 788 HD2 HIS 98 HD2 HIS 98 -1.606 -1.970 -4.813 789 HE1 HIS 98 HE1 HIS 98 0.723 -4.362 -7.416 790 HE2 HIS 98 HE2 HIS 98 -0.380 -2.120 -7.091 791 H GLU 99 H GLU 99 -2.910 -6.256 -5.877 792 HA GLU 99 HA GLU 99 -0.948 -8.491 -5.839 793 1HB GLU 99 1HB GLU 99 -3.925 -8.739 -6.378 794 2HB GLU 99 2HB GLU 99 -2.753 -10.030 -6.644 795 1HG GLU 99 1HG GLU 99 -2.104 -9.859 -4.225 796 2HG GLU 99 2HG GLU 99 -3.417 -8.701 -4.001 797 H GLN 100 H GLN 100 0.083 -8.573 -7.807 798 HA GLN 100 HA GLN 100 -1.325 -7.443 -10.198 799 1HB GLN 100 1HB GLN 100 0.174 -5.755 -9.271 800 2HB GLN 100 2HB GLN 100 1.495 -6.921 -9.204 801 1HG GLN 100 1HG GLN 100 1.478 -7.128 -11.644 802 2HG GLN 100 2HG GLN 100 0.103 -6.027 -11.745 803 1HE2 GLN 100 2HE2 GLN 100 3.394 -6.058 -12.135 804 2HE2 GLN 100 1HE2 GLN 100 3.744 -4.444 -11.742 805 H GLU 101 H GLU 101 -0.626 -8.388 -12.212 806 HA GLU 101 HA GLU 101 1.338 -10.611 -12.102 807 1HB GLU 101 1HB GLU 101 -0.889 -11.501 -11.414 808 2HB GLU 101 2HB GLU 101 -1.559 -10.943 -12.947 809 1HG GLU 101 1HG GLU 101 -0.057 -12.404 -14.189 810 2HG GLU 101 2HG GLU 101 0.744 -12.898 -12.697 811 H VAL 102 H VAL 102 1.924 -11.341 -14.294 812 HA VAL 102 HA VAL 102 1.183 -9.359 -16.426 813 HB VAL 102 HB VAL 102 3.479 -9.137 -15.453 814 1HG1 VAL 102 1HG1 VAL 102 3.759 -11.549 -14.904 815 2HG1 VAL 102 2HG1 VAL 102 3.871 -11.907 -16.627 816 3HG1 VAL 102 3HG1 VAL 102 5.109 -10.921 -15.850 817 1HG2 VAL 102 1HG2 VAL 102 2.960 -8.583 -17.853 818 2HG2 VAL 102 2HG2 VAL 102 4.638 -9.058 -17.586 819 3HG2 VAL 102 3HG2 VAL 102 3.499 -10.205 -18.293 820 H LYS 103 H LYS 103 0.535 -10.258 -18.372 821 HA LYS 103 HA LYS 103 0.921 -13.211 -18.739 822 1HB LYS 103 1HB LYS 103 -1.529 -11.461 -19.072 823 2HB LYS 103 2HB LYS 103 -1.425 -13.084 -19.756 824 1HG LYS 103 1HG LYS 103 -0.984 -12.458 -16.824 825 2HG LYS 103 2HG LYS 103 -2.520 -13.011 -17.491 826 1HD LYS 103 1HD LYS 103 -1.221 -14.995 -18.454 827 2HD LYS 103 2HD LYS 103 0.111 -14.496 -17.412 828 1HE LYS 103 1HE LYS 103 -1.336 -14.707 -15.426 829 2HE LYS 103 2HE LYS 103 -2.696 -15.183 -16.463 830 1HZ LYS 103 1HZ LYS 103 -1.253 -16.975 -17.351 831 2HZ LYS 103 2HZ LYS 103 -0.093 -16.586 -16.173 832 3HZ LYS 103 3HZ LYS 103 -1.621 -17.164 -15.706 833 H GLY 104 H GLY 104 2.569 -12.961 -20.318 834 1HA GLY 104 1HA GLY 104 3.222 -12.843 -22.592 835 2HA GLY 104 2HA GLY 104 1.641 -12.164 -22.976 836 H ASN 105 H ASN 105 1.403 -9.925 -23.043 837 HA ASN 105 HA ASN 105 3.858 -8.311 -22.421 838 1HB ASN 105 1HB ASN 105 3.382 -7.055 -24.460 839 2HB ASN 105 2HB ASN 105 3.442 -8.774 -24.853 840 1HD2 ASN 105 2HD2 ASN 105 1.909 -6.591 -26.253 841 2HD2 ASN 105 1HD2 ASN 105 0.286 -7.085 -26.212 842 H GLU 106 H GLU 106 0.913 -8.889 -21.270 843 HA GLU 106 HA GLU 106 0.250 -5.997 -20.816 844 1HB GLU 106 1HB GLU 106 -1.474 -8.495 -20.898 845 2HB GLU 106 2HB GLU 106 -2.075 -6.883 -20.500 846 1HG GLU 106 1HG GLU 106 -1.373 -6.053 -22.699 847 2HG GLU 106 2HG GLU 106 -0.707 -7.636 -23.100 848 H MET 107 H MET 107 -0.768 -5.602 -18.636 849 HA MET 107 HA MET 107 0.092 -7.575 -16.557 850 1HB MET 107 1HB MET 107 1.081 -4.881 -17.150 851 2HB MET 107 2HB MET 107 0.570 -5.062 -15.470 852 1HG MET 107 1HG MET 107 1.923 -7.362 -15.722 853 2HG MET 107 2HG MET 107 2.786 -6.418 -16.936 854 1HE MET 107 1HE MET 107 4.601 -7.192 -15.546 855 2HE MET 107 2HE MET 107 5.347 -6.196 -14.298 856 3HE MET 107 3HE MET 107 4.187 -7.456 -13.854 857 H VAL 108 H VAL 108 -1.319 -7.671 -14.783 858 HA VAL 108 HA VAL 108 -3.642 -5.770 -14.808 859 HB VAL 108 HB VAL 108 -3.566 -8.758 -14.272 860 1HG1 VAL 108 1HG1 VAL 108 -5.252 -7.558 -12.906 861 2HG1 VAL 108 2HG1 VAL 108 -5.907 -6.828 -14.371 862 3HG1 VAL 108 3HG1 VAL 108 -6.015 -8.571 -14.131 863 1HG2 VAL 108 1HG2 VAL 108 -4.402 -7.055 -16.614 864 2HG2 VAL 108 2HG2 VAL 108 -3.416 -8.517 -16.606 865 3HG2 VAL 108 3HG2 VAL 108 -5.157 -8.625 -16.343 866 H GLU 109 H GLU 109 -3.870 -4.725 -12.870 867 HA GLU 109 HA GLU 109 -2.534 -5.915 -10.463 868 1HB GLU 109 1HB GLU 109 -3.031 -3.104 -11.448 869 2HB GLU 109 2HB GLU 109 -2.618 -3.420 -9.762 870 1HG GLU 109 1HG GLU 109 -0.536 -4.483 -10.409 871 2HG GLU 109 2HG GLU 109 -0.965 -4.374 -12.117 872 H THR 110 H THR 110 -3.830 -6.334 -8.695 873 HA THR 110 HA THR 110 -6.647 -5.296 -8.766 874 HB THR 110 HB THR 110 -5.572 -7.965 -7.797 875 HG1 THR 110 HG1 THR 110 -7.050 -7.204 -10.092 876 1HG2 THR 110 1HG2 THR 110 -8.034 -8.531 -7.734 877 2HG2 THR 110 2HG2 THR 110 -7.519 -7.362 -6.518 878 3HG2 THR 110 3HG2 THR 110 -8.365 -6.815 -7.965 879 H ILE 111 H ILE 111 -7.036 -3.982 -7.031 880 HA ILE 111 HA ILE 111 -5.556 -4.533 -4.477 881 HB ILE 111 HB ILE 111 -6.299 -1.878 -5.752 882 1HG1 ILE 111 1HG1 ILE 111 -3.587 -3.181 -5.345 883 2HG1 ILE 111 2HG1 ILE 111 -4.445 -3.111 -6.885 884 1HG2 ILE 111 1HG2 ILE 111 -6.251 -2.049 -3.193 885 2HG2 ILE 111 2HG2 ILE 111 -4.523 -2.362 -3.353 886 3HG2 ILE 111 3HG2 ILE 111 -5.197 -0.833 -3.916 887 1HD1 ILE 111 1HD1 ILE 111 -4.438 -0.641 -6.773 888 2HD1 ILE 111 2HD1 ILE 111 -3.557 -0.718 -5.247 889 3HD1 ILE 111 3HD1 ILE 111 -2.798 -1.288 -6.733 890 H THR 112 H THR 112 -6.902 -4.742 -2.720 891 HA THR 112 HA THR 112 -9.772 -3.940 -3.063 892 HB THR 112 HB THR 112 -8.468 -6.030 -1.286 893 HG1 THR 112 HG1 THR 112 -8.453 -7.094 -3.085 894 1HG2 THR 112 1HG2 THR 112 -10.869 -6.831 -1.114 895 2HG2 THR 112 2HG2 THR 112 -10.531 -5.305 -0.297 896 3HG2 THR 112 3HG2 THR 112 -11.349 -5.306 -1.859 897 H PHE 113 H PHE 113 -10.616 -2.492 -1.585 898 HA PHE 113 HA PHE 113 -9.308 -2.064 1.027 899 1HB PHE 113 1HB PHE 113 -8.095 -0.752 -0.819 900 2HB PHE 113 2HB PHE 113 -9.561 0.220 -0.943 901 HD1 PHE 113 HD1 PHE 113 -10.523 1.045 1.415 902 HD2 PHE 113 HD2 PHE 113 -6.436 -0.028 0.647 903 HE1 PHE 113 HE1 PHE 113 -9.803 2.387 3.373 904 HE2 PHE 113 HE2 PHE 113 -5.715 1.313 2.604 905 HZ PHE 113 HZ PHE 113 -7.398 2.521 3.967 906 H GLY 114 H GLY 114 -10.986 -1.787 2.439 907 1HA GLY 114 1HA GLY 114 -13.036 -1.031 3.311 908 2HA GLY 114 2HA GLY 114 -13.133 0.084 1.948 909 H GLY 115 H GLY 115 -12.843 -3.442 1.744 910 1HA GLY 115 1HA GLY 115 -14.353 -5.048 0.922 911 2HA GLY 115 2HA GLY 115 -15.653 -3.899 1.239 912 H VAL 116 H VAL 116 -13.330 -2.360 -0.593 913 HA VAL 116 HA VAL 116 -14.904 -2.858 -3.092 914 HB VAL 116 HB VAL 116 -13.138 -0.548 -2.216 915 1HG1 VAL 116 1HG1 VAL 116 -13.327 -0.935 -4.701 916 2HG1 VAL 116 2HG1 VAL 116 -15.071 -0.728 -4.544 917 3HG1 VAL 116 3HG1 VAL 116 -13.987 0.610 -4.165 918 1HG2 VAL 116 1HG2 VAL 116 -16.147 -0.922 -2.282 919 2HG2 VAL 116 2HG2 VAL 116 -15.144 -0.639 -0.859 920 3HG2 VAL 116 3HG2 VAL 116 -15.359 0.639 -2.055 921 H THR 117 H THR 117 -13.818 -3.570 -4.928 922 HA THR 117 HA THR 117 -10.871 -4.054 -4.644 923 HB THR 117 HB THR 117 -12.979 -5.507 -6.278 924 HG1 THR 117 HG1 THR 117 -11.667 -6.212 -3.864 925 1HG2 THR 117 1HG2 THR 117 -10.296 -6.628 -5.576 926 2HG2 THR 117 2HG2 THR 117 -11.319 -6.962 -6.973 927 3HG2 THR 117 3HG2 THR 117 -10.400 -5.459 -6.893 928 H LEU 118 H LEU 118 -9.577 -3.039 -6.137 929 HA LEU 118 HA LEU 118 -10.913 -1.711 -8.467 930 1HB LEU 118 1HB LEU 118 -9.870 -0.179 -6.919 931 2HB LEU 118 2HB LEU 118 -8.396 -1.146 -6.875 932 HG LEU 118 HG LEU 118 -8.139 -0.713 -9.350 933 1HD1 LEU 118 1HD1 LEU 118 -10.681 0.689 -8.803 934 2HD1 LEU 118 2HD1 LEU 118 -9.527 1.607 -9.769 935 3HD1 LEU 118 3HD1 LEU 118 -10.067 0.020 -10.315 936 1HD2 LEU 118 1HD2 LEU 118 -7.145 0.670 -7.349 937 2HD2 LEU 118 2HD2 LEU 118 -7.022 1.313 -8.987 938 3HD2 LEU 118 3HD2 LEU 118 -8.268 1.916 -7.894 939 H ILE 119 H ILE 119 -10.117 -2.123 -10.544 940 HA ILE 119 HA ILE 119 -7.902 -4.139 -10.746 941 HB ILE 119 HB ILE 119 -10.383 -3.702 -12.441 942 1HG1 ILE 119 1HG1 ILE 119 -9.617 -6.055 -10.688 943 2HG1 ILE 119 2HG1 ILE 119 -10.678 -4.750 -10.154 944 1HG2 ILE 119 1HG2 ILE 119 -7.957 -5.445 -12.743 945 2HG2 ILE 119 2HG2 ILE 119 -9.519 -6.041 -13.305 946 3HG2 ILE 119 3HG2 ILE 119 -8.849 -4.554 -13.976 947 1HD1 ILE 119 1HD1 ILE 119 -11.215 -6.309 -12.686 948 2HD1 ILE 119 2HD1 ILE 119 -11.825 -6.836 -11.117 949 3HD1 ILE 119 3HD1 ILE 119 -12.328 -5.281 -11.782 950 H ARG 120 H ARG 120 -6.116 -3.269 -11.718 951 HA ARG 120 HA ARG 120 -6.517 -1.018 -13.662 952 1HB ARG 120 1HB ARG 120 -4.379 -1.677 -11.626 953 2HB ARG 120 2HB ARG 120 -4.111 -0.491 -12.904 954 1HG ARG 120 1HG ARG 120 -6.495 0.383 -12.006 955 2HG ARG 120 2HG ARG 120 -5.880 -0.336 -10.517 956 1HD ARG 120 1HD ARG 120 -4.392 1.707 -12.211 957 2HD ARG 120 2HD ARG 120 -5.207 2.042 -10.670 958 HE ARG 120 HE ARG 120 -3.598 -0.067 -10.006 959 1HH1 ARG 120 1HH1 ARG 120 -3.238 3.201 -10.170 960 2HH1 ARG 120 2HH1 ARG 120 -1.515 3.211 -10.351 961 1HH2 ARG 120 1HH2 ARG 120 -1.284 -0.205 -10.898 962 2HH2 ARG 120 2HH2 ARG 120 -0.410 1.283 -10.763 963 H ARG 121 H ARG 121 -6.137 -1.720 -15.727 964 HA ARG 121 HA ARG 121 -4.336 -4.049 -16.171 965 1HB ARG 121 1HB ARG 121 -6.608 -2.697 -17.536 966 2HB ARG 121 2HB ARG 121 -5.406 -3.449 -18.585 967 1HG ARG 121 1HG ARG 121 -5.637 -5.527 -17.100 968 2HG ARG 121 2HG ARG 121 -7.077 -4.758 -16.433 969 1HD ARG 121 1HD ARG 121 -8.221 -4.831 -18.503 970 2HD ARG 121 2HD ARG 121 -6.722 -5.079 -19.420 971 HE ARG 121 HE ARG 121 -7.805 -7.133 -17.525 972 1HH1 ARG 121 1HH1 ARG 121 -4.995 -7.335 -18.699 973 2HH1 ARG 121 2HH1 ARG 121 -5.267 -8.412 -20.029 974 1HH2 ARG 121 1HH2 ARG 121 -8.711 -8.014 -19.992 975 2HH2 ARG 121 2HH2 ARG 121 -7.370 -8.797 -20.760 976 H SER 122 H SER 122 -2.291 -3.724 -16.965 977 HA SER 122 HA SER 122 -1.687 -1.086 -18.265 978 1HB SER 122 1HB SER 122 0.623 -1.538 -17.173 979 2HB SER 122 2HB SER 122 -0.694 -1.041 -16.114 980 HG SER 122 HG SER 122 0.643 -2.994 -15.556 981 H LYS 123 H LYS 123 0.284 -1.243 -19.714 982 HA LYS 123 HA LYS 123 0.577 -3.981 -20.904 983 1HB LYS 123 1HB LYS 123 -0.951 -2.345 -22.120 984 2HB LYS 123 2HB LYS 123 0.478 -1.350 -22.404 985 1HG LYS 123 1HG LYS 123 1.570 -3.231 -23.561 986 2HG LYS 123 2HG LYS 123 0.150 -4.238 -23.270 987 1HD LYS 123 1HD LYS 123 -1.217 -2.529 -24.524 988 2HD LYS 123 2HD LYS 123 0.292 -1.724 -24.955 989 1HE LYS 123 1HE LYS 123 0.166 -4.658 -25.478 990 2HE LYS 123 2HE LYS 123 -0.802 -3.611 -26.536 991 1HZ LYS 123 1HZ LYS 123 1.190 -2.179 -26.770 992 2HZ LYS 123 2HZ LYS 123 2.093 -3.341 -25.927 993 3HZ LYS 123 3HZ LYS 123 1.401 -3.732 -27.427 994 H ARG 124 H ARG 124 2.650 -4.282 -22.036 995 HA ARG 124 HA ARG 124 4.874 -2.951 -20.664 996 1HB ARG 124 1HB ARG 124 4.706 -5.397 -21.257 997 2HB ARG 124 2HB ARG 124 4.856 -4.940 -22.955 998 1HG ARG 124 1HG ARG 124 7.035 -3.889 -22.489 999 2HG ARG 124 2HG ARG 124 6.888 -4.329 -20.787 1000 1HD ARG 124 1HD ARG 124 6.742 -6.748 -21.489 1001 2HD ARG 124 2HD ARG 124 7.112 -6.229 -23.146 1002 HE ARG 124 HE ARG 124 9.002 -5.064 -21.323 1003 1HH1 ARG 124 1HH1 ARG 124 8.253 -8.272 -21.280 1004 2HH1 ARG 124 2HH1 ARG 124 9.762 -8.845 -21.910 1005 1HH2 ARG 124 1HH2 ARG 124 10.894 -5.690 -22.799 1006 2HH2 ARG 124 2HH2 ARG 124 11.257 -7.383 -22.770 1007 H VAL 125 HN VAL 125 6.117 -1.302 -21.508 1008 HA VAL 125 HA VAL 125 5.396 -0.283 -24.219 1009 HB VAL 125 HB VAL 125 6.914 0.931 -21.885 1010 1HG1 VAL 125 1HG1 VAL 125 6.114 1.942 -24.604 1011 2HG1 VAL 125 2HG1 VAL 125 6.233 3.065 -23.249 1012 3HG1 VAL 125 3HG1 VAL 125 7.647 2.138 -23.754 1013 1HG2 VAL 125 1HG2 VAL 125 4.437 0.417 -21.571 1014 2HG2 VAL 125 2HG2 VAL 125 4.885 2.111 -21.381 1015 3HG2 VAL 125 3HG2 VAL 125 4.121 1.564 -22.873 1016 1H1 JN3 130 1H1 JN3 130 -3.688 1.924 -7.201 1017 2H1 JN3 130 2H1 JN3 130 -3.276 3.259 -8.331 1018 1H2 JN3 130 1H2 JN3 130 -1.106 3.467 -7.314 1019 2H2 JN3 130 2H2 JN3 130 -1.397 1.792 -7.924 1020 H3 JN3 130 H3 JN3 130 -2.034 1.038 -5.558 1021 HO3 JN3 130 HO3 JN3 130 0.011 1.001 -4.671 1022 1H4 JN3 130 1H4 JN3 130 -1.394 3.912 -4.751 1023 2H4 JN3 130 2H4 JN3 130 -1.832 2.599 -3.641 1024 H5 JN3 130 H5 JN3 130 -4.125 2.396 -4.849 1025 1H6 JN3 130 1H6 JN3 130 -3.989 3.905 -2.843 1026 2H6 JN3 130 2H6 JN3 130 -5.159 4.453 -4.033 1027 H7 JN3 130 H7 JN3 130 -3.778 6.333 -3.148 1028 HO7 JN3 130 HO7 JN3 130 -1.820 4.770 -3.023 1029 H8 JN3 130 H8 JN3 130 -4.691 6.483 -5.430 1030 H9 JN3 130 H9 JN3 130 -1.892 5.263 -6.279 1031 1H11 JN3 130 1H11 JN3 130 -4.251 6.199 -8.040 1032 2H11 JN3 130 2H11 JN3 130 -2.809 5.389 -8.654 1033 1H12 JN3 130 1H12 JN3 130 -2.548 7.833 -8.951 1034 2H12 JN3 130 2H12 JN3 130 -1.393 7.299 -7.728 1035 H14 JN3 130 H14 JN3 130 -1.809 7.689 -5.270 1036 1H15 JN3 130 1H15 JN3 130 -2.950 8.803 -3.507 1037 2H15 JN3 130 2H15 JN3 130 -4.465 8.879 -4.402 1038 1H16 JN3 130 1H16 JN3 130 -2.104 10.630 -4.614 1039 2H16 JN3 130 2H16 JN3 130 -3.742 10.855 -5.327 1040 H17 JN3 130 H17 JN3 130 -1.252 9.599 -6.623 1041 1H18 JN3 130 1H18 JN3 130 -5.096 9.378 -6.484 1042 2H18 JN3 130 2H18 JN3 130 -4.845 9.047 -8.215 1043 3H18 JN3 130 3H18 JN3 130 -5.220 7.713 -7.099 1044 1H19 JN3 130 1H19 JN3 130 -5.680 4.692 -5.975 1045 2H19 JN3 130 2H19 JN3 130 -5.369 4.316 -7.687 1046 3H19 JN3 130 3H19 JN3 130 -5.705 3.002 -6.534 1047 H20 JN3 130 H20 JN3 130 -3.439 11.363 -7.708 1048 1H21 JN3 130 1H21 JN3 130 -2.367 11.477 -9.822 1049 2H21 JN3 130 2H21 JN3 130 -1.272 10.153 -9.357 1050 3H21 JN3 130 3H21 JN3 130 -3.021 9.853 -9.500 1051 1H22 JN3 130 1H22 JN3 130 -0.551 11.964 -8.083 1052 2H22 JN3 130 2H22 JN3 130 -1.143 11.970 -6.386 1053 1H23 JN3 130 1H23 JN3 130 -3.010 13.577 -7.562 1054 2H23 JN3 130 2H23 JN3 130 -1.637 13.932 -8.579 1055 1H1 JN3 131 1H1 JN3 131 4.923 -4.806 -4.342 1056 2H1 JN3 131 2H1 JN3 131 3.277 -4.847 -3.624 1057 1H2 JN3 131 1H2 JN3 131 2.370 -3.848 -5.617 1058 2H2 JN3 131 2H2 JN3 131 3.260 -5.376 -5.985 1059 H3 JN3 131 H3 JN3 131 5.318 -4.013 -6.676 1060 HO3 JN3 131 HO3 JN3 131 4.026 -2.541 -8.386 1061 1H4 JN3 131 1H4 JN3 131 3.583 -1.574 -6.070 1062 2H4 JN3 131 2H4 JN3 131 5.221 -1.535 -6.750 1063 H5 JN3 131 H5 JN3 131 6.101 -2.686 -4.591 1064 1H6 JN3 131 1H6 JN3 131 6.122 -0.173 -4.672 1065 2H6 JN3 131 2H6 JN3 131 5.878 -0.804 -3.051 1066 H7 JN3 131 H7 JN3 131 4.349 1.104 -3.551 1067 HO7 JN3 131 HO7 JN3 131 3.672 1.134 -5.590 1068 H8 JN3 131 H8 JN3 131 3.634 -0.621 -1.945 1069 H9 JN3 131 H9 JN3 131 2.269 -1.950 -4.477 1070 1H11 JN3 131 1H11 JN3 131 2.207 -2.825 -1.515 1071 2H11 JN3 131 2H11 JN3 131 1.524 -3.761 -2.846 1072 1H12 JN3 131 1H12 JN3 131 -0.286 -2.468 -1.760 1073 2H12 JN3 131 2H12 JN3 131 -0.024 -1.803 -3.375 1074 H14 JN3 131 H14 JN3 131 1.246 0.352 -3.716 1075 1H15 JN3 131 1H15 JN3 131 2.150 2.384 -2.885 1076 2H15 JN3 131 2H15 JN3 131 2.555 1.681 -1.322 1077 1H16 JN3 131 1H16 JN3 131 -0.047 2.681 -2.279 1078 2H16 JN3 131 2H16 JN3 131 0.432 2.205 -0.609 1079 H17 JN3 131 H17 JN3 131 -0.954 0.496 -2.758 1080 1H18 JN3 131 1H18 JN3 131 1.558 0.339 0.159 1081 2H18 JN3 131 2H18 JN3 131 0.722 -1.212 0.408 1082 3H18 JN3 131 3H18 JN3 131 2.339 -1.181 -0.335 1083 1H19 JN3 131 1H19 JN3 131 5.047 -2.192 -1.835 1084 2H19 JN3 131 2H19 JN3 131 4.213 -3.755 -1.663 1085 3H19 JN3 131 3H19 JN3 131 5.813 -3.680 -2.440 1086 H20 JN3 131 H20 JN3 131 -1.253 -0.101 0.148 1087 1H21 JN3 131 1H21 JN3 131 -3.556 -0.433 -0.313 1088 2H21 JN3 131 2H21 JN3 131 -3.296 0.000 -2.019 1089 3H21 JN3 131 3H21 JN3 131 -2.524 -1.454 -1.343 1090 1H22 JN3 131 1H22 JN3 131 -3.011 2.060 -0.951 1091 2H22 JN3 131 2H22 JN3 131 -1.336 2.503 -0.472 1092 1H23 JN3 131 1H23 JN3 131 -2.198 1.186 1.778 1093 2H23 JN3 131 2H23 JN3 131 -3.697 1.893 1.233
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