NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11583 | 1rqm | 5241 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 H ALA 1 -9.735 5.046 9.722 2 2H ALA 1 2HN ALA 1 -11.108 5.507 8.932 3 3H ALA 1 3HN ALA 1 -11.164 4.322 10.089 4 HA ALA 1 HA ALA 1 -11.316 3.387 7.910 5 1HB ALA 1 1HB ALA 1 -8.529 4.576 7.552 6 2HB ALA 1 2HB ALA 1 -9.398 3.562 6.384 7 3HB ALA 1 3HB ALA 1 -10.018 5.163 6.769 8 H THR 2 H THR 2 -9.533 1.587 7.138 9 HA THR 2 HA THR 2 -8.919 -0.222 9.191 10 HB THR 2 HB THR 2 -7.738 0.122 6.430 11 HG1 THR 2 1HG THR 2 -9.658 -0.137 5.653 12 1HG2 THR 2 1HG2 THR 2 -8.260 -2.397 8.056 13 2HG2 THR 2 2HG2 THR 2 -7.970 -2.414 6.304 14 3HG2 THR 2 3HG2 THR 2 -6.707 -1.830 7.377 15 H MET 3 H MET 3 -6.391 -1.097 9.134 16 HA MET 3 HA MET 3 -4.391 0.898 9.182 17 1HB MET 3 1HB MET 3 -5.881 0.733 11.577 18 2HB MET 3 2HB MET 3 -4.501 -0.298 11.906 19 1HG MET 3 1HG MET 3 -4.463 2.601 10.973 20 2HG MET 3 2HG MET 3 -4.123 2.019 12.602 21 1HE MET 3 1HE MET 3 -2.254 4.089 11.199 22 2HE MET 3 2HE MET 3 -1.905 3.393 12.799 23 3HE MET 3 3HE MET 3 -0.644 3.417 11.547 24 H THR 4 H THR 4 -2.485 -0.577 10.671 25 HA THR 4 HA THR 4 -1.500 -2.455 9.077 26 HB THR 4 HB THR 4 -1.339 -2.436 12.087 27 HG1 THR 4 1HG THR 4 0.304 -0.934 11.747 28 1HG2 THR 4 1HG2 THR 4 -0.147 -4.394 11.094 29 2HG2 THR 4 2HG2 THR 4 0.789 -3.283 10.072 30 3HG2 THR 4 3HG2 THR 4 0.964 -3.237 11.834 31 H LEU 5 H LEU 5 -1.575 -4.639 8.703 32 HA LEU 5 HA LEU 5 -3.483 -6.396 10.120 33 1HB LEU 5 1HB LEU 5 -4.779 -6.916 8.343 34 2HB LEU 5 2HB LEU 5 -4.732 -5.169 8.374 35 HG LEU 5 HG LEU 5 -3.364 -7.060 6.408 36 1HD1 LEU 5 1HD1 LEU 5 -5.480 -4.873 6.173 37 2HD1 LEU 5 2HD1 LEU 5 -4.813 -5.796 4.812 38 3HD1 LEU 5 3HD1 LEU 5 -5.750 -6.612 6.078 39 1HD2 LEU 5 1HD2 LEU 5 -2.604 -4.946 5.229 40 2HD2 LEU 5 2HD2 LEU 5 -2.977 -4.058 6.731 41 3HD2 LEU 5 3HD2 LEU 5 -1.742 -5.320 6.717 42 H THR 6 H THR 6 -3.395 -8.709 9.002 43 HA THR 6 HA THR 6 -0.653 -9.367 8.343 44 HB THR 6 HB THR 6 -1.021 -9.661 10.785 45 HG1 THR 6 1HG THR 6 0.426 -11.023 10.077 46 1HG2 THR 6 1HG2 THR 6 -3.463 -10.139 10.828 47 2HG2 THR 6 2HG2 THR 6 -3.163 -11.695 10.012 48 3HG2 THR 6 3HG2 THR 6 -2.515 -11.398 11.635 49 H ASP 7 H ASP 7 -0.997 -11.796 8.011 50 HA ASP 7 HA ASP 7 -1.557 -11.805 5.296 51 1HB ASP 7 1HB ASP 7 0.031 -13.338 6.319 52 2HB ASP 7 2HB ASP 7 -1.268 -14.244 7.084 53 H ALA 8 H ALA 8 -3.484 -13.717 7.598 54 HA ALA 8 HA ALA 8 -5.589 -14.379 5.803 55 1HB ALA 8 1HB ALA 8 -5.615 -14.024 8.852 56 2HB ALA 8 2HB ALA 8 -6.788 -14.969 7.909 57 3HB ALA 8 3HB ALA 8 -5.087 -15.496 8.000 58 H ASN 9 H ASN 9 -4.960 -11.301 7.219 59 HA ASN 9 HA ASN 9 -7.805 -10.490 6.835 60 1HB ASN 9 1HB ASN 9 -6.831 -10.104 9.093 61 2HB ASN 9 2HB ASN 9 -5.676 -9.008 8.331 62 1HD2 ASN 9 1HD2 ASN 9 -9.291 -9.597 8.557 63 2HD2 ASN 9 2HD2 ASN 9 -9.641 -7.879 8.520 64 H PHE 10 H PHE 10 -4.590 -10.202 5.485 65 HA PHE 10 HA PHE 10 -4.718 -7.874 3.956 66 1HB PHE 10 1HB PHE 10 -2.816 -9.493 4.104 67 2HB PHE 10 2HB PHE 10 -3.713 -10.621 3.102 68 HD1 PHE 10 1HD PHE 10 -4.104 -10.202 0.681 69 HD2 PHE 10 2HD PHE 10 -1.597 -7.629 3.100 70 HE1 PHE 10 1HE PHE 10 -3.115 -9.246 -1.355 71 HE2 PHE 10 2HE PHE 10 -0.601 -6.717 1.062 72 HZ PHE 10 HZ PHE 10 -1.357 -7.504 -1.187 73 H GLN 11 H GLN 11 -5.898 -11.098 3.064 74 HA GLN 11 HA GLN 11 -7.407 -10.520 0.757 75 1HB GLN 11 1HB GLN 11 -7.444 -12.620 2.963 76 2HB GLN 11 2HB GLN 11 -8.721 -12.643 1.752 77 1HG GLN 11 1HG GLN 11 -5.739 -12.672 1.152 78 2HG GLN 11 2HG GLN 11 -6.786 -14.097 1.185 79 1HE2 GLN 11 1HE2 GLN 11 -5.254 -13.435 -1.065 80 2HE2 GLN 11 2HE2 GLN 11 -6.324 -12.937 -2.386 81 H GLN 12 H GLN 12 -8.607 -10.645 4.148 82 HA GLN 12 HA GLN 12 -11.288 -9.948 3.450 83 1HB GLN 12 1HB GLN 12 -9.772 -9.609 6.071 84 2HB GLN 12 2HB GLN 12 -11.519 -9.445 5.898 85 1HG GLN 12 1HG GLN 12 -11.749 -11.789 5.282 86 2HG GLN 12 2HG GLN 12 -9.995 -12.014 5.279 87 1HE2 GLN 12 1HE2 GLN 12 -9.008 -12.630 7.209 88 2HE2 GLN 12 2HE2 GLN 12 -9.870 -12.621 8.759 89 H ALA 13 H ALA 13 -8.423 -7.929 3.879 90 HA ALA 13 HA ALA 13 -9.972 -5.479 3.926 91 1HB ALA 13 1HB ALA 13 -7.834 -4.344 3.589 92 2HB ALA 13 2HB ALA 13 -7.737 -5.518 4.914 93 3HB ALA 13 3HB ALA 13 -7.014 -5.896 3.336 94 H ILE 14 H ILE 14 -7.815 -7.044 1.462 95 HA ILE 14 HA ILE 14 -8.457 -5.186 -0.520 96 HB ILE 14 HB ILE 14 -7.426 -6.703 -2.125 97 1HG1 ILE 14 1HG1 ILE 14 -6.791 -8.727 -0.046 98 2HG1 ILE 14 2HG1 ILE 14 -8.285 -8.875 -0.988 99 1HG2 ILE 14 1HG2 ILE 14 -5.888 -6.496 0.507 100 2HG2 ILE 14 2HG2 ILE 14 -5.182 -6.688 -1.098 101 3HG2 ILE 14 3HG2 ILE 14 -6.064 -5.208 -0.696 102 1HD1 ILE 14 1HD1 ILE 14 -6.966 -8.859 -3.077 103 2HD1 ILE 14 2HD1 ILE 14 -5.465 -8.729 -2.131 104 3HD1 ILE 14 3HD1 ILE 14 -6.477 -10.175 -1.995 105 H GLN 15 H GLN 15 -10.290 -7.999 0.294 106 HA GLN 15 HA GLN 15 -11.910 -8.153 -2.045 107 1HB GLN 15 1HB GLN 15 -13.450 -9.460 -0.729 108 2HB GLN 15 2HB GLN 15 -11.788 -9.905 -0.369 109 1HG GLN 15 1HG GLN 15 -12.877 -9.950 1.685 110 2HG GLN 15 2HG GLN 15 -11.915 -8.476 1.682 111 1HE2 GLN 15 1HE2 GLN 15 -13.062 -7.205 3.131 112 2HE2 GLN 15 2HE2 GLN 15 -14.771 -6.794 2.895 113 H GLY 16 H GLY 16 -11.901 -5.647 0.435 114 1HA GLY 16 1HA GLY 16 -14.647 -5.084 0.528 115 2HA GLY 16 2HA GLY 16 -13.321 -4.005 0.996 116 H ASP 17 H ASP 17 -15.832 -3.366 -0.314 117 HA ASP 17 HA ASP 17 -15.198 -2.659 -3.095 118 1HB ASP 17 1HB ASP 17 -17.390 -3.663 -2.511 119 2HB ASP 17 2HB ASP 17 -17.771 -2.238 -1.538 120 H GLY 18 H GLY 18 -13.452 -1.439 -1.630 121 1HA GLY 18 1HA GLY 18 -13.968 1.343 -2.292 122 2HA GLY 18 2HA GLY 18 -13.771 1.090 -0.545 123 HA PRO 19 HA PRO 19 -9.643 1.371 -2.982 124 1HB PRO 19 1HB PRO 19 -8.708 3.798 -1.933 125 2HB PRO 19 2HB PRO 19 -9.599 3.621 -3.457 126 1HG PRO 19 1HG PRO 19 -10.713 4.338 -0.754 127 2HG PRO 19 2HG PRO 19 -11.065 5.093 -2.338 128 1HD PRO 19 1HD PRO 19 -12.731 3.291 -1.200 129 2HD PRO 19 2HD PRO 19 -12.441 3.263 -2.964 130 H VAL 20 H VAL 20 -8.830 -0.348 -1.873 131 HA VAL 20 HA VAL 20 -7.846 0.032 0.887 132 HB VAL 20 HB VAL 20 -8.290 -2.424 -0.833 133 1HG1 VAL 20 1HG1 VAL 20 -6.883 -2.306 1.884 134 2HG1 VAL 20 2HG1 VAL 20 -7.496 -3.776 1.113 135 3HG1 VAL 20 3HG1 VAL 20 -6.183 -2.879 0.357 136 1HG2 VAL 20 1HG2 VAL 20 -9.343 -1.531 1.889 137 2HG2 VAL 20 2HG2 VAL 20 -10.220 -1.403 0.359 138 3HG2 VAL 20 3HG2 VAL 20 -9.811 -2.991 1.001 139 H LEU 21 H LEU 21 -6.075 1.151 0.856 140 HA LEU 21 HA LEU 21 -3.901 0.650 -1.084 141 1HB LEU 21 1HB LEU 21 -4.562 2.928 -0.239 142 2HB LEU 21 2HB LEU 21 -3.998 2.456 1.357 143 HG LEU 21 HG LEU 21 -2.257 2.592 -1.119 144 1HD1 LEU 21 1HD1 LEU 21 -3.152 4.741 -0.388 145 2HD1 LEU 21 2HD1 LEU 21 -2.611 4.446 1.279 146 3HD1 LEU 21 3HD1 LEU 21 -1.420 4.654 -0.009 147 1HD2 LEU 21 1HD2 LEU 21 -0.426 2.640 0.742 148 2HD2 LEU 21 2HD2 LEU 21 -1.653 1.903 1.785 149 3HD2 LEU 21 3HD2 LEU 21 -1.120 1.081 0.312 150 H VAL 22 H VAL 22 -2.664 -1.097 -0.737 151 HA VAL 22 HA VAL 22 -2.354 -2.126 2.025 152 HB VAL 22 HB VAL 22 -3.140 -3.421 -0.358 153 1HG1 VAL 22 1HG1 VAL 22 -0.393 -4.417 0.452 154 2HG1 VAL 22 2HG1 VAL 22 -1.533 -5.204 -0.665 155 3HG1 VAL 22 3HG1 VAL 22 -0.819 -3.659 -1.102 156 1HG2 VAL 22 1HG2 VAL 22 -2.219 -4.603 2.285 157 2HG2 VAL 22 2HG2 VAL 22 -3.831 -3.938 1.940 158 3HG2 VAL 22 3HG2 VAL 22 -3.278 -5.377 1.079 159 H ASP 23 H ASP 23 -0.507 -1.551 2.994 160 HA ASP 23 HA ASP 23 1.471 -0.125 1.310 161 1HB ASP 23 1HB ASP 23 -0.037 0.575 3.600 162 2HB ASP 23 2HB ASP 23 1.579 0.271 4.219 163 H PHE 24 H PHE 24 2.939 -1.681 0.696 164 HA PHE 24 HA PHE 24 3.762 -3.782 2.601 165 1HB PHE 24 1HB PHE 24 4.268 -3.272 -0.329 166 2HB PHE 24 2HB PHE 24 5.111 -4.498 0.568 167 HD1 PHE 24 1HD PHE 24 3.790 -6.210 1.857 168 HD2 PHE 24 2HD PHE 24 2.187 -3.906 -1.404 169 HE1 PHE 24 1HE PHE 24 2.408 -8.144 1.186 170 HE2 PHE 24 2HE PHE 24 0.753 -5.829 -2.039 171 HZ PHE 24 HZ PHE 24 0.983 -8.009 -0.802 172 H TRP 25 H TRP 25 5.326 -3.337 3.926 173 HA TRP 25 HA TRP 25 7.783 -2.014 2.951 174 1HB TRP 25 1HB TRP 25 8.088 -0.857 5.030 175 2HB TRP 25 2HB TRP 25 6.513 -0.408 4.405 176 HD1 TRP 25 HD TRP 25 4.357 -1.696 5.638 177 HE1 TRP 25 1HE TRP 25 4.067 -2.496 8.053 178 HE3 TRP 25 3HE TRP 25 9.245 -1.506 7.157 179 HZ2 TRP 25 2HZ TRP 25 5.798 -3.276 10.278 180 HZ3 TRP 25 3HZ TRP 25 9.890 -2.278 9.412 181 HH2 TRP 25 HH TRP 25 8.181 -3.205 10.964 182 H ALA 26 H ALA 26 9.527 -2.745 4.990 183 HA ALA 26 HA ALA 26 8.816 -5.354 6.007 184 1HB ALA 26 1HB ALA 26 11.353 -5.169 4.346 185 2HB ALA 26 2HB ALA 26 10.581 -6.602 5.027 186 3HB ALA 26 3HB ALA 26 9.839 -5.755 3.658 187 H ALA 27 H ALA 27 10.261 -6.016 7.623 188 HA ALA 27 HA ALA 27 11.211 -4.098 9.348 189 1HB ALA 27 1HB ALA 27 11.964 -7.038 9.180 190 2HB ALA 27 2HB ALA 27 12.087 -6.008 10.626 191 3HB ALA 27 3HB ALA 27 10.497 -6.370 9.933 192 H TRP 28 H TRP 28 12.918 -4.675 6.530 193 HA TRP 28 HA TRP 28 15.443 -3.767 7.823 194 1HB TRP 28 1HB TRP 28 16.711 -5.432 7.131 195 2HB TRP 28 2HB TRP 28 15.224 -6.349 7.116 196 HD1 TRP 28 HD TRP 28 18.031 -5.164 5.030 197 HE1 TRP 28 1HE TRP 28 17.765 -5.727 2.552 198 HE3 TRP 28 3HE TRP 28 13.163 -6.804 5.075 199 HZ2 TRP 28 2HZ TRP 28 15.652 -6.546 0.770 200 HZ3 TRP 28 3HZ TRP 28 12.037 -7.420 2.941 201 HH2 TRP 28 HH TRP 28 13.284 -7.261 0.795 202 H CYS 29 H CYS 29 13.240 -3.293 5.122 203 HA CYS 29 HA CYS 29 15.290 -2.696 3.223 204 1HB CYS 29 1HB CYS 29 13.295 -1.755 1.877 205 2HB CYS 29 2HB CYS 29 13.509 -3.462 2.159 206 H GLY 30 H GLY 30 16.652 -1.077 3.844 207 1HA GLY 30 1HA GLY 30 16.604 1.296 4.931 208 2HA GLY 30 2HA GLY 30 17.351 1.122 3.345 209 HA PRO 31 HA PRO 31 14.494 4.004 1.648 210 1HB PRO 31 1HB PRO 31 13.198 2.932 -0.540 211 2HB PRO 31 2HB PRO 31 14.928 3.398 -0.517 212 1HG PRO 31 1HG PRO 31 13.733 0.644 -0.086 213 2HG PRO 31 2HG PRO 31 15.106 1.103 -1.142 214 1HD PRO 31 1HD PRO 31 15.506 0.070 1.324 215 2HD PRO 31 2HD PRO 31 16.553 1.385 0.717 216 H CYS 32 H CYS 32 12.850 0.876 2.378 217 HA CYS 32 HA CYS 32 10.214 2.130 2.353 218 1HB CYS 32 1HB CYS 32 9.317 0.116 3.017 219 2HB CYS 32 2HB CYS 32 10.632 -0.351 1.951 220 H ARG 33 H ARG 33 12.810 1.561 4.732 221 HA ARG 33 HA ARG 33 11.337 2.431 7.025 222 1HB ARG 33 1HB ARG 33 13.586 1.273 6.958 223 2HB ARG 33 2HB ARG 33 14.303 2.800 6.497 224 1HG ARG 33 1HG ARG 33 12.659 2.924 8.980 225 2HG ARG 33 2HG ARG 33 13.968 1.755 9.042 226 1HD ARG 33 1HD ARG 33 14.866 3.720 9.903 227 2HD ARG 33 2HD ARG 33 15.574 3.552 8.290 228 HE ARG 33 HE ARG 33 13.156 5.089 8.219 229 1HH1 ARG 33 2HH2 ARG 33 16.543 5.502 9.147 230 2HH1 ARG 33 1HH2 ARG 33 16.596 7.195 8.782 231 1HH2 ARG 33 2HH1 ARG 33 13.182 7.261 7.744 232 2HH2 ARG 33 1HH1 ARG 33 14.596 8.240 7.963 233 H MET 34 H MET 34 12.517 4.274 4.277 234 HA MET 34 HA MET 34 12.149 6.845 5.673 235 1HB MET 34 1HB MET 34 13.261 6.063 2.944 236 2HB MET 34 2HB MET 34 13.124 7.729 3.507 237 1HG MET 34 1HG MET 34 14.817 7.503 5.078 238 2HG MET 34 2HG MET 34 14.626 5.761 5.227 239 1HE MET 34 1HE MET 34 14.901 7.241 1.529 240 2HE MET 34 2HE MET 34 15.610 8.508 2.564 241 3HE MET 34 3HE MET 34 16.642 7.568 1.460 242 H MET 35 H MET 35 10.636 4.765 3.285 243 HA MET 35 HA MET 35 8.773 6.791 2.405 244 1HB MET 35 1HB MET 35 9.621 4.709 1.066 245 2HB MET 35 2HB MET 35 8.369 3.825 1.955 246 1HG MET 35 1HG MET 35 6.724 5.517 1.117 247 2HG MET 35 2HG MET 35 8.022 6.350 0.277 248 1HE MET 35 1HE MET 35 5.471 5.653 -1.187 249 2HE MET 35 2HE MET 35 6.888 6.336 -2.008 250 3HE MET 35 3HE MET 35 6.059 4.919 -2.702 251 H ALA 36 H ALA 36 8.753 4.008 4.741 252 HA ALA 36 HA ALA 36 6.071 3.972 5.402 253 1HB ALA 36 1HB ALA 36 7.604 2.337 6.273 254 2HB ALA 36 2HB ALA 36 8.471 3.559 7.224 255 3HB ALA 36 3HB ALA 36 6.792 3.141 7.627 256 HA PRO 37 HA PRO 37 6.399 7.681 8.388 257 1HB PRO 37 1HB PRO 37 8.510 9.464 8.122 258 2HB PRO 37 2HB PRO 37 8.449 8.112 9.300 259 1HG PRO 37 1HG PRO 37 9.787 8.194 6.611 260 2HG PRO 37 2HG PRO 37 10.438 7.567 8.155 261 1HD PRO 37 1HD PRO 37 9.400 5.894 6.311 262 2HD PRO 37 2HD PRO 37 9.109 5.624 8.048 263 H VAL 38 H VAL 38 7.679 8.009 4.971 264 HA VAL 38 HA VAL 38 6.246 10.497 4.582 265 HB VAL 38 HB VAL 38 7.973 8.786 3.069 266 1HG1 VAL 38 1HG1 VAL 38 5.546 9.663 1.469 267 2HG1 VAL 38 2HG1 VAL 38 7.073 9.076 0.792 268 3HG1 VAL 38 3HG1 VAL 38 6.081 7.997 1.762 269 1HG2 VAL 38 1HG2 VAL 38 8.412 11.100 3.576 270 2HG2 VAL 38 2HG2 VAL 38 8.368 10.888 1.818 271 3HG2 VAL 38 3HG2 VAL 38 6.999 11.623 2.645 272 H LEU 39 H LEU 39 5.376 7.067 4.317 273 HA LEU 39 HA LEU 39 2.824 7.434 3.188 274 1HB LEU 39 1HB LEU 39 4.246 5.124 4.520 275 2HB LEU 39 2HB LEU 39 2.664 4.990 3.796 276 HG LEU 39 HG LEU 39 5.022 5.961 2.189 277 1HD1 LEU 39 1HD1 LEU 39 5.629 3.751 3.055 278 2HD1 LEU 39 2HD1 LEU 39 4.059 3.102 2.558 279 3HD1 LEU 39 3HD1 LEU 39 5.224 3.619 1.334 280 1HD2 LEU 39 1HD2 LEU 39 2.909 6.444 1.144 281 2HD2 LEU 39 2HD2 LEU 39 3.755 5.165 0.268 282 3HD2 LEU 39 3HD2 LEU 39 2.406 4.740 1.337 283 H GLU 40 H GLU 40 3.980 8.027 6.343 284 HA GLU 40 HA GLU 40 1.531 7.349 7.793 285 1HB GLU 40 1HB GLU 40 3.855 7.289 8.737 286 2HB GLU 40 2HB GLU 40 3.918 9.051 8.640 287 1HG GLU 40 1HG GLU 40 2.308 9.340 10.322 288 2HG GLU 40 2HG GLU 40 1.641 7.711 10.108 289 H GLU 41 H GLU 41 3.229 10.314 6.634 290 HA GLU 41 HA GLU 41 1.023 12.112 6.998 291 1HB GLU 41 1HB GLU 41 3.430 12.722 6.559 292 2HB GLU 41 2HB GLU 41 3.218 12.161 4.903 293 1HG GLU 41 1HG GLU 41 1.247 13.904 4.811 294 2HG GLU 41 2HG GLU 41 1.994 14.585 6.266 295 H PHE 42 H PHE 42 2.017 10.027 4.187 296 HA PHE 42 HA PHE 42 -0.280 10.703 2.589 297 1HB PHE 42 1HB PHE 42 1.855 9.427 1.846 298 2HB PHE 42 2HB PHE 42 1.056 8.006 2.543 299 HD1 PHE 42 1HD PHE 42 0.890 10.462 -0.232 300 HD2 PHE 42 2HD PHE 42 -0.849 6.933 1.544 301 HE1 PHE 42 1HE PHE 42 -0.581 10.165 -2.209 302 HE2 PHE 42 2HE PHE 42 -2.393 6.753 -0.389 303 HZ PHE 42 HZ PHE 42 -2.304 8.372 -2.220 304 H ALA 43 H ALA 43 -0.157 8.643 5.501 305 HA ALA 43 HA ALA 43 -2.727 7.522 4.821 306 1HB ALA 43 1HB ALA 43 -2.820 6.728 7.117 307 2HB ALA 43 2HB ALA 43 -1.250 6.323 6.401 308 3HB ALA 43 3HB ALA 43 -1.388 7.672 7.550 309 H GLU 44 H GLU 44 -1.532 10.050 7.034 310 HA GLU 44 HA GLU 44 -3.974 10.917 8.034 311 1HB GLU 44 1HB GLU 44 -1.730 11.482 8.893 312 2HB GLU 44 2HB GLU 44 -1.490 12.595 7.537 313 1HG GLU 44 1HG GLU 44 -3.411 13.955 8.291 314 2HG GLU 44 2HG GLU 44 -3.760 12.787 9.571 315 H ALA 45 H ALA 45 -2.274 12.089 5.149 316 HA ALA 45 HA ALA 45 -3.677 14.382 4.626 317 1HB ALA 45 1HB ALA 45 -1.602 13.705 3.484 318 2HB ALA 45 2HB ALA 45 -2.495 12.463 2.574 319 3HB ALA 45 3HB ALA 45 -2.837 14.187 2.306 320 H HIS 46 H HIS 46 -4.913 11.203 3.996 321 HA HIS 46 HA HIS 46 -7.507 12.338 3.233 322 1HB HIS 46 1HB HIS 46 -7.555 10.598 1.258 323 2HB HIS 46 2HB HIS 46 -6.860 12.206 1.069 324 HD1 HIS 46 1HD HIS 46 -4.793 11.870 -0.713 325 HD2 HIS 46 2HD HIS 46 -4.996 9.096 2.560 326 HE1 HIS 46 1HE HIS 46 -2.709 10.624 -0.650 327 HE2 HIS 46 2HE HIS 46 -2.781 8.989 1.363 328 H ALA 47 H ALA 47 -6.583 11.146 5.588 329 HA ALA 47 HA ALA 47 -6.368 8.533 5.884 330 1HB ALA 47 1HB ALA 47 -5.971 10.238 7.618 331 2HB ALA 47 2HB ALA 47 -7.719 10.378 7.893 332 3HB ALA 47 3HB ALA 47 -6.870 8.859 8.259 333 H ASP 48 H ASP 48 -9.600 9.887 5.466 334 HA ASP 48 HA ASP 48 -10.665 7.137 5.927 335 1HB ASP 48 1HB ASP 48 -11.256 9.278 7.515 336 2HB ASP 48 2HB ASP 48 -12.549 9.397 6.324 337 H LYS 49 H LYS 49 -9.945 9.171 3.475 338 HA LYS 49 HA LYS 49 -12.323 8.554 1.807 339 1HB LYS 49 1HB LYS 49 -10.991 10.671 1.465 340 2HB LYS 49 2HB LYS 49 -9.603 9.671 1.008 341 1HG LYS 49 1HG LYS 49 -10.928 8.710 -0.870 342 2HG LYS 49 2HG LYS 49 -12.288 9.752 -0.457 343 1HD LYS 49 1HD LYS 49 -9.593 11.024 -1.020 344 2HD LYS 49 2HD LYS 49 -10.480 10.289 -2.350 345 1HE LYS 49 1HE LYS 49 -11.018 12.572 -2.391 346 2HE LYS 49 2HE LYS 49 -12.454 11.694 -1.860 347 1HZ LYS 49 1HZ LYS 49 -11.942 12.338 0.402 348 2HZ LYS 49 2HZ LYS 49 -10.577 13.131 -0.089 349 3HZ LYS 49 3HZ LYS 49 -12.057 13.675 -0.553 350 H VAL 50 H VAL 50 -9.157 7.245 2.704 351 HA VAL 50 HA VAL 50 -9.601 4.933 0.904 352 HB VAL 50 HB VAL 50 -7.159 4.845 0.529 353 1HG1 VAL 50 1HG1 VAL 50 -8.714 5.945 -1.114 354 2HG1 VAL 50 2HG1 VAL 50 -8.319 7.505 -0.393 355 3HG1 VAL 50 3HG1 VAL 50 -7.048 6.537 -1.185 356 1HG2 VAL 50 1HG2 VAL 50 -5.717 6.799 0.895 357 2HG2 VAL 50 2HG2 VAL 50 -7.037 7.662 1.709 358 3HG2 VAL 50 3HG2 VAL 50 -6.331 6.210 2.446 359 H THR 51 H THR 51 -9.015 2.914 1.755 360 HA THR 51 HA THR 51 -8.431 2.745 4.587 361 HB THR 51 HB THR 51 -9.086 0.873 2.420 362 HG1 THR 51 1HG THR 51 -10.549 1.214 3.931 363 1HG2 THR 51 1HG2 THR 51 -7.067 0.074 4.553 364 2HG2 THR 51 2HG2 THR 51 -8.138 -1.098 3.769 365 3HG2 THR 51 3HG2 THR 51 -6.955 -0.167 2.833 366 H VAL 52 H VAL 52 -6.316 2.597 5.357 367 HA VAL 52 HA VAL 52 -4.203 2.002 3.410 368 HB VAL 52 HB VAL 52 -3.693 3.600 5.843 369 1HG1 VAL 52 1HG1 VAL 52 -2.032 3.383 3.328 370 2HG1 VAL 52 2HG1 VAL 52 -1.576 4.174 4.835 371 3HG1 VAL 52 3HG1 VAL 52 -1.771 2.417 4.796 372 1HG2 VAL 52 1HG2 VAL 52 -4.276 4.682 3.043 373 2HG2 VAL 52 2HG2 VAL 52 -5.109 5.120 4.551 374 3HG2 VAL 52 3HG2 VAL 52 -3.441 5.632 4.284 375 H ALA 53 H ALA 53 -3.134 0.292 4.008 376 HA ALA 53 HA ALA 53 -3.691 -1.078 6.598 377 1HB ALA 53 1HB ALA 53 -4.353 -3.069 5.303 378 2HB ALA 53 2HB ALA 53 -5.457 -1.711 5.068 379 3HB ALA 53 3HB ALA 53 -4.264 -2.125 3.803 380 H LYS 54 H LYS 54 -1.621 -0.887 7.196 381 HA LYS 54 HA LYS 54 0.560 -1.275 5.266 382 1HB LYS 54 1HB LYS 54 0.711 -0.576 8.247 383 2HB LYS 54 2HB LYS 54 1.999 -0.389 7.051 384 1HG LYS 54 1HG LYS 54 0.591 1.339 5.876 385 2HG LYS 54 2HG LYS 54 -0.625 1.189 7.139 386 1HD LYS 54 1HD LYS 54 0.923 1.986 8.818 387 2HD LYS 54 2HD LYS 54 2.263 2.021 7.664 388 1HE LYS 54 1HE LYS 54 -0.294 3.642 7.276 389 2HE LYS 54 2HE LYS 54 1.082 4.250 8.206 390 1HZ LYS 54 1HZ LYS 54 1.227 3.476 5.328 391 2HZ LYS 54 2HZ LYS 54 1.171 5.013 5.912 392 3HZ LYS 54 3HZ LYS 54 2.452 4.049 6.248 393 H LEU 55 H LEU 55 2.116 -3.020 5.311 394 HA LEU 55 HA LEU 55 2.234 -4.628 7.700 395 1HB LEU 55 1HB LEU 55 1.683 -6.756 6.782 396 2HB LEU 55 2HB LEU 55 0.344 -5.669 6.760 397 HG LEU 55 HG LEU 55 0.103 -6.967 4.891 398 1HD1 LEU 55 1HD1 LEU 55 1.357 -4.483 3.678 399 2HD1 LEU 55 2HD1 LEU 55 0.150 -5.548 2.953 400 3HD1 LEU 55 3HD1 LEU 55 -0.286 -4.566 4.359 401 1HD2 LEU 55 1HD2 LEU 55 1.724 -7.528 3.264 402 2HD2 LEU 55 2HD2 LEU 55 2.930 -6.430 3.969 403 3HD2 LEU 55 3HD2 LEU 55 2.409 -7.880 4.852 404 H ASN 56 H ASN 56 3.864 -6.119 7.789 405 HA ASN 56 HA ASN 56 6.313 -5.466 6.341 406 1HB ASN 56 1HB ASN 56 6.505 -5.827 8.717 407 2HB ASN 56 2HB ASN 56 5.573 -7.328 8.645 408 1HD2 ASN 56 1HD2 ASN 56 6.597 -9.267 7.919 409 2HD2 ASN 56 2HD2 ASN 56 8.343 -9.339 7.705 410 H VAL 57 H VAL 57 6.426 -6.283 4.356 411 HA VAL 57 HA VAL 57 4.662 -7.905 3.158 412 HB VAL 57 HB VAL 57 6.252 -6.325 2.156 413 1HG1 VAL 57 1HG1 VAL 57 8.313 -8.575 2.139 414 2HG1 VAL 57 2HG1 VAL 57 8.509 -6.925 1.539 415 3HG1 VAL 57 3HG1 VAL 57 8.332 -7.226 3.275 416 1HG2 VAL 57 1HG2 VAL 57 6.373 -8.987 0.722 417 2HG2 VAL 57 2HG2 VAL 57 4.975 -7.906 0.725 418 3HG2 VAL 57 3HG2 VAL 57 6.503 -7.363 0.021 419 H ASP 58 H ASP 58 7.741 -9.187 4.505 420 HA ASP 58 HA ASP 58 7.721 -11.692 3.490 421 1HB ASP 58 1HB ASP 58 8.542 -10.543 6.156 422 2HB ASP 58 2HB ASP 58 9.155 -12.017 5.438 423 H GLU 59 H GLU 59 5.759 -10.337 6.047 424 HA GLU 59 HA GLU 59 5.111 -12.846 7.397 425 1HB GLU 59 1HB GLU 59 5.121 -10.609 8.499 426 2HB GLU 59 2HB GLU 59 3.724 -10.162 7.500 427 1HG GLU 59 1HG GLU 59 2.401 -11.993 8.469 428 2HG GLU 59 2HG GLU 59 3.786 -12.498 9.443 429 H ASN 60 H ASN 60 3.942 -11.075 4.601 430 HA ASN 60 HA ASN 60 1.563 -12.895 4.445 431 1HB ASN 60 1HB ASN 60 0.742 -10.633 4.831 432 2HB ASN 60 2HB ASN 60 1.764 -9.996 3.535 433 1HD2 ASN 60 1HD2 ASN 60 0.849 -10.025 1.316 434 2HD2 ASN 60 2HD2 ASN 60 -0.513 -11.057 0.982 435 HA PRO 61 HA PRO 61 4.209 -13.689 0.757 436 1HB PRO 61 1HB PRO 61 3.840 -16.431 0.718 437 2HB PRO 61 2HB PRO 61 5.170 -15.597 1.558 438 1HG PRO 61 1HG PRO 61 2.562 -16.639 2.698 439 2HG PRO 61 2HG PRO 61 4.201 -16.760 3.406 440 1HD PRO 61 1HD PRO 61 2.359 -14.883 4.208 441 2HD PRO 61 2HD PRO 61 4.088 -14.526 4.218 442 H GLU 62 H GLU 62 0.946 -14.577 1.858 443 HA GLU 62 HA GLU 62 -0.055 -15.666 -0.522 444 1HB GLU 62 1HB GLU 62 -0.945 -15.685 1.902 445 2HB GLU 62 2HB GLU 62 -1.698 -14.129 1.524 446 1HG GLU 62 1HG GLU 62 -2.125 -16.794 0.083 447 2HG GLU 62 2HG GLU 62 -3.231 -16.064 1.245 448 H THR 63 H THR 63 -0.422 -14.738 -2.405 449 HA THR 63 HA THR 63 -0.816 -13.382 -4.101 450 HB THR 63 HB THR 63 -2.453 -12.117 -1.911 451 HG1 THR 63 1HG THR 63 -3.008 -14.208 -2.699 452 1HG2 THR 63 1HG2 THR 63 -2.541 -11.373 -4.843 453 2HG2 THR 63 2HG2 THR 63 -3.744 -10.925 -3.611 454 3HG2 THR 63 3HG2 THR 63 -2.097 -10.278 -3.503 455 H THR 64 H THR 64 0.850 -11.980 -1.504 456 HA THR 64 HA THR 64 2.248 -9.803 -2.715 457 HB THR 64 HB THR 64 3.112 -12.014 -0.825 458 HG1 THR 64 1HG THR 64 2.495 -10.840 0.705 459 1HG2 THR 64 1HG2 THR 64 4.868 -10.679 0.041 460 2HG2 THR 64 2HG2 THR 64 5.137 -10.816 -1.704 461 3HG2 THR 64 3HG2 THR 64 4.451 -9.321 -1.010 462 H SER 65 H SER 65 3.030 -13.333 -2.580 463 HA SER 65 HA SER 65 5.211 -13.225 -4.366 464 1HB SER 65 1HB SER 65 4.706 -15.078 -2.817 465 2HB SER 65 2HB SER 65 3.272 -15.504 -3.760 466 HG SER 65 HG SER 65 5.982 -15.572 -4.633 467 H GLN 66 H GLN 66 1.713 -13.630 -5.029 468 HA GLN 66 HA GLN 66 1.948 -14.282 -7.756 469 1HB GLN 66 1HB GLN 66 -0.077 -14.619 -6.377 470 2HB GLN 66 2HB GLN 66 -0.338 -12.884 -6.307 471 1HG GLN 66 1HG GLN 66 -1.823 -13.959 -7.932 472 2HG GLN 66 2HG GLN 66 -0.792 -12.757 -8.686 473 1HE2 GLN 66 1HE2 GLN 66 1.127 -13.563 -9.964 474 2HE2 GLN 66 2HE2 GLN 66 0.952 -15.155 -10.723 475 H PHE 67 H PHE 67 1.654 -11.034 -6.196 476 HA PHE 67 HA PHE 67 1.701 -9.818 -8.903 477 1HB PHE 67 1HB PHE 67 1.019 -8.697 -6.180 478 2HB PHE 67 2HB PHE 67 1.146 -7.719 -7.639 479 HD1 PHE 67 1HD PHE 67 -0.153 -8.762 -9.782 480 HD2 PHE 67 2HD PHE 67 -1.195 -9.354 -5.641 481 HE1 PHE 67 1HE PHE 67 -2.455 -9.373 -10.452 482 HE2 PHE 67 2HE PHE 67 -3.523 -9.925 -6.326 483 HZ PHE 67 HZ PHE 67 -4.139 -9.979 -8.723 484 H GLY 68 H GLY 68 4.119 -11.044 -7.415 485 1HA GLY 68 1HA GLY 68 6.357 -10.745 -7.740 486 2HA GLY 68 2HA GLY 68 5.985 -9.303 -8.695 487 H ILE 69 H ILE 69 4.910 -9.643 -5.343 488 HA ILE 69 HA ILE 69 6.014 -7.024 -4.820 489 HB ILE 69 HB ILE 69 4.385 -8.868 -3.095 490 1HG1 ILE 69 1HG1 ILE 69 3.136 -8.559 -5.137 491 2HG1 ILE 69 2HG1 ILE 69 2.365 -7.725 -3.814 492 1HG2 ILE 69 1HG2 ILE 69 4.499 -5.839 -2.938 493 2HG2 ILE 69 2HG2 ILE 69 3.649 -6.983 -1.885 494 3HG2 ILE 69 3HG2 ILE 69 5.391 -6.935 -1.867 495 1HD1 ILE 69 1HD1 ILE 69 3.047 -5.584 -4.645 496 2HD1 ILE 69 2HD1 ILE 69 4.164 -6.311 -5.835 497 3HD1 ILE 69 3HD1 ILE 69 2.414 -6.502 -6.005 498 H MET 70 H MET 70 8.192 -8.039 -5.150 499 HA MET 70 HA MET 70 9.402 -8.338 -2.416 500 1HB MET 70 1HB MET 70 9.706 -10.304 -3.925 501 2HB MET 70 2HB MET 70 10.553 -9.262 -5.076 502 1HG MET 70 1HG MET 70 12.344 -8.880 -3.446 503 2HG MET 70 2HG MET 70 11.422 -9.713 -2.193 504 1HE MET 70 1HE MET 70 13.505 -10.016 -5.483 505 2HE MET 70 2HE MET 70 13.492 -11.765 -5.806 506 3HE MET 70 3HE MET 70 12.009 -10.815 -6.027 507 H SER 71 H SER 71 8.657 -6.117 -4.696 508 HA SER 71 HA SER 71 11.238 -4.768 -4.933 509 1HB SER 71 1HB SER 71 9.749 -5.039 -6.900 510 2HB SER 71 2HB SER 71 8.480 -4.123 -6.060 511 HG SER 71 HG SER 71 10.118 -2.447 -5.869 512 H ILE 72 H ILE 72 9.844 -4.880 -2.282 513 HA ILE 72 HA ILE 72 8.408 -2.595 -1.856 514 HB ILE 72 HB ILE 72 8.585 -2.990 0.543 515 1HG1 ILE 72 1HG1 ILE 72 10.887 -3.765 0.753 516 2HG1 ILE 72 2HG1 ILE 72 9.694 -4.774 1.554 517 1HG2 ILE 72 1HG2 ILE 72 7.406 -5.092 0.525 518 2HG2 ILE 72 2HG2 ILE 72 6.912 -4.064 -0.819 519 3HG2 ILE 72 3HG2 ILE 72 7.967 -5.450 -1.122 520 1HD1 ILE 72 1HD1 ILE 72 11.272 -6.245 0.647 521 2HD1 ILE 72 2HD1 ILE 72 9.903 -6.378 -0.455 522 3HD1 ILE 72 3HD1 ILE 72 11.332 -5.405 -0.906 523 HA PRO 73 HA PRO 73 8.063 -0.942 0.210 524 1HB PRO 73 1HB PRO 73 7.523 1.661 -0.271 525 2HB PRO 73 2HB PRO 73 8.593 1.110 1.038 526 1HG PRO 73 1HG PRO 73 9.393 2.107 -1.712 527 2HG PRO 73 2HG PRO 73 10.097 2.567 -0.130 528 1HD PRO 73 1HD PRO 73 11.237 0.682 -1.749 529 2HD PRO 73 2HD PRO 73 11.282 0.530 0.026 530 H THR 74 H THR 74 6.198 -1.510 -0.684 531 HA THR 74 HA THR 74 5.567 -0.722 -3.487 532 HB THR 74 HB THR 74 5.059 -3.441 -2.209 533 HG1 THR 74 1HG THR 74 6.583 -4.189 -3.566 534 1HG2 THR 74 1HG2 THR 74 4.586 -4.033 -4.676 535 2HG2 THR 74 2HG2 THR 74 3.317 -3.187 -3.767 536 3HG2 THR 74 3HG2 THR 74 4.332 -2.308 -4.919 537 H LEU 75 H LEU 75 3.324 -0.411 -3.931 538 HA LEU 75 HA LEU 75 1.455 -0.150 -1.614 539 1HB LEU 75 1HB LEU 75 2.784 1.849 -1.875 540 2HB LEU 75 2HB LEU 75 2.330 2.002 -3.559 541 HG LEU 75 HG LEU 75 0.170 1.754 -1.451 542 1HD1 LEU 75 1HD1 LEU 75 1.880 4.164 -2.078 543 2HD1 LEU 75 2HD1 LEU 75 0.306 4.281 -1.255 544 3HD1 LEU 75 3HD1 LEU 75 1.631 3.368 -0.511 545 1HD2 LEU 75 1HD2 LEU 75 -1.021 3.356 -2.983 546 2HD2 LEU 75 2HD2 LEU 75 0.330 3.198 -4.122 547 3HD2 LEU 75 3HD2 LEU 75 -0.681 1.796 -3.716 548 H ILE 76 H ILE 76 -0.108 -1.584 -2.333 549 HA ILE 76 HA ILE 76 -0.879 -1.401 -5.223 550 HB ILE 76 HB ILE 76 -1.698 -3.601 -3.328 551 1HG1 ILE 76 1HG1 ILE 76 0.534 -3.705 -5.409 552 2HG1 ILE 76 2HG1 ILE 76 0.727 -3.829 -3.659 553 1HG2 ILE 76 1HG2 ILE 76 -2.404 -4.699 -5.474 554 2HG2 ILE 76 2HG2 ILE 76 -3.237 -3.191 -5.232 555 3HG2 ILE 76 3HG2 ILE 76 -1.874 -3.271 -6.370 556 1HD1 ILE 76 1HD1 ILE 76 0.800 -6.065 -4.368 557 2HD1 ILE 76 2HD1 ILE 76 -0.843 -5.891 -3.785 558 3HD1 ILE 76 3HD1 ILE 76 -0.507 -5.868 -5.534 559 H LEU 77 H LEU 77 -2.968 -0.806 -5.651 560 HA LEU 77 HA LEU 77 -4.675 -0.058 -3.334 561 1HB LEU 77 1HB LEU 77 -3.712 1.776 -4.835 562 2HB LEU 77 2HB LEU 77 -4.779 1.161 -6.093 563 HG LEU 77 HG LEU 77 -5.786 3.022 -5.096 564 1HD1 LEU 77 1HD1 LEU 77 -7.354 1.090 -5.485 565 2HD1 LEU 77 2HD1 LEU 77 -7.249 0.731 -3.746 566 3HD1 LEU 77 3HD1 LEU 77 -7.913 2.264 -4.290 567 1HD2 LEU 77 1HD2 LEU 77 -5.531 1.776 -2.346 568 2HD2 LEU 77 2HD2 LEU 77 -4.506 3.080 -2.972 569 3HD2 LEU 77 3HD2 LEU 77 -6.237 3.350 -2.715 570 H PHE 78 H PHE 78 -6.225 -1.412 -3.148 571 HA PHE 78 HA PHE 78 -7.236 -3.043 -5.452 572 1HB PHE 78 1HB PHE 78 -7.060 -3.653 -2.475 573 2HB PHE 78 2HB PHE 78 -7.999 -4.618 -3.578 574 HD1 PHE 78 1HD PHE 78 -7.035 -6.270 -5.022 575 HD2 PHE 78 2HD PHE 78 -4.568 -3.787 -2.500 576 HE1 PHE 78 1HE PHE 78 -5.201 -7.913 -5.209 577 HE2 PHE 78 2HE PHE 78 -2.764 -5.482 -2.633 578 HZ PHE 78 HZ PHE 78 -3.059 -7.531 -4.009 579 H LYS 79 H LYS 79 -9.499 -3.657 -5.404 580 HA LYS 79 HA LYS 79 -11.131 -3.102 -3.187 581 1HB LYS 79 1HB LYS 79 -12.916 -1.842 -4.126 582 2HB LYS 79 2HB LYS 79 -11.477 -0.863 -4.142 583 1HG LYS 79 1HG LYS 79 -12.540 -2.329 -6.608 584 2HG LYS 79 2HG LYS 79 -13.064 -0.732 -6.141 585 1HD LYS 79 1HD LYS 79 -10.225 -1.522 -6.900 586 2HD LYS 79 2HD LYS 79 -11.360 -0.595 -7.870 587 1HE LYS 79 1HE LYS 79 -10.099 0.260 -5.229 588 2HE LYS 79 2HE LYS 79 -9.733 0.904 -6.832 589 1HZ LYS 79 1HZ LYS 79 -12.338 1.133 -5.476 590 2HZ LYS 79 2HZ LYS 79 -11.235 2.349 -5.627 591 3HZ LYS 79 3HZ LYS 79 -11.986 1.738 -6.960 592 H GLY 80 H GLY 80 -13.052 -4.471 -3.345 593 1HA GLY 80 1HA GLY 80 -14.282 -6.275 -4.139 594 2HA GLY 80 2HA GLY 80 -13.873 -5.743 -5.769 595 H GLY 81 H GLY 81 -11.116 -6.455 -3.724 596 1HA GLY 81 1HA GLY 81 -9.645 -8.214 -3.708 597 2HA GLY 81 2HA GLY 81 -10.697 -9.153 -4.771 598 H GLU 82 H GLU 82 -10.488 -6.174 -6.324 599 HA GLU 82 HA GLU 82 -8.509 -7.290 -8.177 600 1HB GLU 82 1HB GLU 82 -10.786 -6.795 -8.965 601 2HB GLU 82 2HB GLU 82 -10.566 -5.086 -8.555 602 1HG GLU 82 1HG GLU 82 -8.655 -4.955 -10.147 603 2HG GLU 82 2HG GLU 82 -8.845 -6.671 -10.516 604 HA PRO 83 HA PRO 83 -5.821 -3.821 -6.837 605 1HB PRO 83 1HB PRO 83 -3.550 -4.547 -8.125 606 2HB PRO 83 2HB PRO 83 -4.145 -5.385 -6.660 607 1HG PRO 83 1HG PRO 83 -4.447 -6.264 -9.532 608 2HG PRO 83 2HG PRO 83 -3.978 -7.222 -8.095 609 1HD PRO 83 1HD PRO 83 -6.549 -7.110 -9.118 610 2HD PRO 83 2HD PRO 83 -6.189 -7.440 -7.398 611 H VAL 84 H VAL 84 -6.667 -1.983 -7.875 612 HA VAL 84 HA VAL 84 -6.910 -1.848 -10.763 613 HB VAL 84 HB VAL 84 -7.313 0.621 -10.138 614 1HG1 VAL 84 1HG1 VAL 84 -9.677 0.121 -9.555 615 2HG1 VAL 84 2HG1 VAL 84 -9.082 -0.941 -10.837 616 3HG1 VAL 84 3HG1 VAL 84 -9.215 -1.564 -9.187 617 1HG2 VAL 84 1HG2 VAL 84 -8.051 1.203 -7.969 618 2HG2 VAL 84 2HG2 VAL 84 -7.818 -0.451 -7.361 619 3HG2 VAL 84 3HG2 VAL 84 -6.421 0.548 -7.814 620 H LYS 85 H LYS 85 -4.535 -0.738 -8.366 621 HA LYS 85 HA LYS 85 -2.604 -0.356 -10.495 622 1HB LYS 85 1HB LYS 85 -2.025 2.042 -9.603 623 2HB LYS 85 2HB LYS 85 -3.251 1.775 -10.828 624 1HG LYS 85 1HG LYS 85 -5.035 1.954 -9.090 625 2HG LYS 85 2HG LYS 85 -3.792 2.357 -7.892 626 1HD LYS 85 1HD LYS 85 -3.259 4.402 -9.035 627 2HD LYS 85 2HD LYS 85 -4.143 3.933 -10.487 628 1HE LYS 85 1HE LYS 85 -5.489 4.361 -7.790 629 2HE LYS 85 2HE LYS 85 -5.284 5.634 -8.998 630 1HZ LYS 85 1HZ LYS 85 -6.801 3.134 -9.475 631 2HZ LYS 85 2HZ LYS 85 -7.454 4.653 -9.260 632 3HZ LYS 85 3HZ LYS 85 -6.598 4.349 -10.569 633 H GLN 86 H GLN 86 -0.398 0.110 -9.668 634 HA GLN 86 HA GLN 86 0.172 -0.778 -6.952 635 1HB GLN 86 1HB GLN 86 -0.093 -2.871 -7.941 636 2HB GLN 86 2HB GLN 86 0.658 -2.387 -9.467 637 1HG GLN 86 1HG GLN 86 2.853 -2.477 -8.569 638 2HG GLN 86 2HG GLN 86 2.301 -2.576 -6.910 639 1HE2 GLN 86 1HE2 GLN 86 4.067 -4.507 -8.533 640 2HE2 GLN 86 2HE2 GLN 86 3.252 -6.050 -8.309 641 H LEU 87 H LEU 87 1.854 0.363 -6.281 642 HA LEU 87 HA LEU 87 3.628 1.781 -8.219 643 1HB LEU 87 1HB LEU 87 2.345 2.659 -5.602 644 2HB LEU 87 2HB LEU 87 3.744 3.465 -6.292 645 HG LEU 87 HG LEU 87 2.459 4.134 -8.248 646 1HD1 LEU 87 1HD1 LEU 87 0.683 2.543 -8.565 647 2HD1 LEU 87 2HD1 LEU 87 0.109 2.732 -6.886 648 3HD1 LEU 87 3HD1 LEU 87 -0.113 4.025 -8.082 649 1HD2 LEU 87 1HD2 LEU 87 0.962 5.730 -7.005 650 2HD2 LEU 87 2HD2 LEU 87 1.319 4.807 -5.531 651 3HD2 LEU 87 3HD2 LEU 87 2.632 5.613 -6.423 652 H ILE 88 H ILE 88 5.831 1.995 -7.435 653 HA ILE 88 HA ILE 88 6.643 0.371 -5.139 654 HB ILE 88 HB ILE 88 8.361 -0.745 -6.677 655 1HG1 ILE 88 1HG1 ILE 88 6.383 0.076 -8.863 656 2HG1 ILE 88 2HG1 ILE 88 8.070 0.574 -8.715 657 1HG2 ILE 88 1HG2 ILE 88 6.928 -2.638 -7.080 658 2HG2 ILE 88 2HG2 ILE 88 6.462 -1.853 -5.582 659 3HG2 ILE 88 3HG2 ILE 88 5.471 -1.614 -7.042 660 1HD1 ILE 88 1HD1 ILE 88 7.916 -1.138 -10.392 661 2HD1 ILE 88 2HD1 ILE 88 8.712 -1.867 -8.974 662 3HD1 ILE 88 3HD1 ILE 88 6.998 -2.208 -9.328 663 H GLY 89 H GLY 89 8.655 0.881 -4.378 664 1HA GLY 89 1HA GLY 89 10.684 1.980 -4.183 665 2HA GLY 89 2HA GLY 89 10.436 2.765 -5.754 666 H TYR 90 H TYR 90 11.439 4.267 -3.736 667 HA TYR 90 HA TYR 90 9.431 5.540 -2.123 668 1HB TYR 90 1HB TYR 90 11.715 5.152 -1.368 669 2HB TYR 90 2HB TYR 90 12.314 6.239 -2.611 670 HD1 TYR 90 1HD TYR 90 13.497 7.112 -0.508 671 HD2 TYR 90 2HD TYR 90 9.254 7.626 -1.187 672 HE1 TYR 90 1HE TYR 90 13.441 9.010 1.099 673 HE2 TYR 90 2HE TYR 90 9.217 9.473 0.362 674 HH TYR 90 HH TYR 90 10.428 10.606 2.086 675 H GLN 91 H GLN 91 8.028 6.020 -4.028 676 HA GLN 91 HA GLN 91 8.627 8.379 -5.605 677 1HB GLN 91 1HB GLN 91 5.812 7.528 -4.828 678 2HB GLN 91 2HB GLN 91 6.332 8.425 -6.219 679 1HG GLN 91 1HG GLN 91 6.849 5.467 -5.758 680 2HG GLN 91 2HG GLN 91 5.710 6.186 -6.890 681 1HE2 GLN 91 1HE2 GLN 91 8.215 4.375 -7.345 682 2HE2 GLN 91 2HE2 GLN 91 9.115 5.346 -8.509 683 HA PRO 92 HA PRO 92 7.713 11.294 -2.209 684 1HB PRO 92 1HB PRO 92 7.556 13.641 -3.614 685 2HB PRO 92 2HB PRO 92 9.111 12.815 -3.294 686 1HG PRO 92 1HG PRO 92 7.388 12.641 -5.782 687 2HG PRO 92 2HG PRO 92 9.146 12.977 -5.687 688 1HD PRO 92 1HD PRO 92 8.208 10.464 -6.177 689 2HD PRO 92 2HD PRO 92 9.644 10.724 -5.147 690 H LYS 93 H LYS 93 5.886 12.761 -1.643 691 HA LYS 93 HA LYS 93 3.346 11.653 -2.052 692 1HB LYS 93 1HB LYS 93 4.505 14.116 -0.807 693 2HB LYS 93 2HB LYS 93 2.883 14.322 -1.420 694 1HG LYS 93 1HG LYS 93 2.649 13.658 0.840 695 2HG LYS 93 2HG LYS 93 2.122 12.322 -0.161 696 1HD LYS 93 1HD LYS 93 3.547 10.953 0.897 697 2HD LYS 93 2HD LYS 93 4.924 11.871 0.298 698 1HE LYS 93 1HE LYS 93 3.366 12.394 2.849 699 2HE LYS 93 2HE LYS 93 4.961 11.661 2.746 700 1HZ LYS 93 1HZ LYS 93 5.699 13.889 1.781 701 2HZ LYS 93 2HZ LYS 93 4.156 14.437 2.228 702 3HZ LYS 93 3HZ LYS 93 5.100 13.969 3.355 703 H GLU 94 H GLU 94 4.838 14.440 -3.726 704 HA GLU 94 HA GLU 94 2.557 15.141 -5.227 705 1HB GLU 94 1HB GLU 94 5.535 15.514 -5.745 706 2HB GLU 94 2HB GLU 94 4.269 16.399 -6.600 707 1HG GLU 94 1HG GLU 94 3.663 17.668 -4.714 708 2HG GLU 94 2HG GLU 94 4.369 16.533 -3.568 709 H GLN 95 H GLN 95 4.598 12.329 -5.660 710 HA GLN 95 HA GLN 95 3.858 12.127 -8.529 711 1HB GLN 95 1HB GLN 95 6.276 11.875 -7.609 712 2HB GLN 95 2HB GLN 95 5.750 10.378 -6.909 713 1HG GLN 95 1HG GLN 95 6.786 9.848 -9.005 714 2HG GLN 95 2HG GLN 95 5.057 9.583 -9.217 715 1HE2 GLN 95 1HE2 GLN 95 3.924 10.894 -10.803 716 2HE2 GLN 95 2HE2 GLN 95 4.805 12.082 -11.758 717 H LEU 96 H LEU 96 3.927 10.479 -5.403 718 HA LEU 96 HA LEU 96 2.422 8.182 -6.011 719 1HB LEU 96 1HB LEU 96 3.876 8.938 -3.966 720 2HB LEU 96 2HB LEU 96 2.335 9.447 -3.311 721 HG LEU 96 HG LEU 96 2.679 6.675 -4.482 722 1HD1 LEU 96 1HD1 LEU 96 3.414 7.404 -1.642 723 2HD1 LEU 96 2HD1 LEU 96 3.396 5.776 -2.373 724 3HD1 LEU 96 3HD1 LEU 96 4.538 6.991 -2.956 725 1HD2 LEU 96 1HD2 LEU 96 0.376 7.537 -3.721 726 2HD2 LEU 96 2HD2 LEU 96 0.910 5.994 -3.052 727 3HD2 LEU 96 3HD2 LEU 96 1.027 7.460 -2.067 728 H GLU 97 H GLU 97 1.262 11.281 -4.471 729 HA GLU 97 HA GLU 97 -1.479 10.463 -4.565 730 1HB GLU 97 1HB GLU 97 -0.411 12.247 -3.052 731 2HB GLU 97 2HB GLU 97 -0.344 13.264 -4.472 732 1HG GLU 97 1HG GLU 97 -2.157 13.982 -3.180 733 2HG GLU 97 2HG GLU 97 -2.816 13.253 -4.638 734 H ALA 98 H ALA 98 0.670 11.794 -6.984 735 HA ALA 98 HA ALA 98 -1.499 12.745 -8.720 736 1HB ALA 98 1HB ALA 98 1.443 12.224 -9.329 737 2HB ALA 98 2HB ALA 98 0.264 12.949 -10.440 738 3HB ALA 98 3HB ALA 98 0.685 13.785 -8.936 739 H GLN 99 H GLN 99 0.712 9.894 -8.712 740 HA GLN 99 HA GLN 99 -0.537 8.544 -10.910 741 1HB GLN 99 1HB GLN 99 1.740 8.115 -9.975 742 2HB GLN 99 2HB GLN 99 1.020 7.471 -8.512 743 1HG GLN 99 1HG GLN 99 1.747 5.646 -9.913 744 2HG GLN 99 2HG GLN 99 -0.014 5.627 -9.839 745 1HE2 GLN 99 1HE2 GLN 99 2.801 6.539 -11.935 746 2HE2 GLN 99 2HE2 GLN 99 1.854 6.420 -13.414 747 H LEU 100 H LEU 100 -1.036 8.378 -7.394 748 HA LEU 100 HA LEU 100 -3.179 6.437 -7.573 749 1HB LEU 100 1HB LEU 100 -1.395 7.180 -5.606 750 2HB LEU 100 2HB LEU 100 -2.867 7.969 -5.077 751 HG LEU 100 HG LEU 100 -3.970 5.634 -5.304 752 1HD1 LEU 100 1HD1 LEU 100 -2.223 4.636 -6.808 753 2HD1 LEU 100 2HD1 LEU 100 -1.022 4.833 -5.520 754 3HD1 LEU 100 3HD1 LEU 100 -2.381 3.718 -5.310 755 1HD2 LEU 100 1HD2 LEU 100 -1.632 6.034 -3.367 756 2HD2 LEU 100 2HD2 LEU 100 -3.322 6.535 -3.121 757 3HD2 LEU 100 3HD2 LEU 100 -2.916 4.824 -3.181 758 H ALA 101 H ALA 101 -3.173 9.782 -8.207 759 HA ALA 101 HA ALA 101 -5.435 10.818 -7.022 760 1HB ALA 101 1HB ALA 101 -4.585 11.242 -9.919 761 2HB ALA 101 2HB ALA 101 -5.652 12.290 -8.968 762 3HB ALA 101 3HB ALA 101 -3.952 12.132 -8.514 763 H ASP 102 H ASP 102 -5.261 8.532 -9.676 764 HA ASP 102 HA ASP 102 -8.002 8.607 -10.517 765 1HB ASP 102 1HB ASP 102 -6.133 7.933 -11.944 766 2HB ASP 102 2HB ASP 102 -5.706 6.632 -10.846 767 H VAL 103 H VAL 103 -7.017 7.810 -7.533 768 HA VAL 103 HA VAL 103 -9.686 6.578 -7.277 769 HB VAL 103 HB VAL 103 -7.548 4.941 -6.882 770 1HG1 VAL 103 1HG1 VAL 103 -8.212 5.896 -4.074 771 2HG1 VAL 103 2HG1 VAL 103 -7.304 4.462 -4.495 772 3HG1 VAL 103 3HG1 VAL 103 -6.654 6.041 -4.932 773 1HG2 VAL 103 1HG2 VAL 103 -10.218 4.778 -5.463 774 2HG2 VAL 103 2HG2 VAL 103 -9.893 4.308 -7.147 775 3HG2 VAL 103 3HG2 VAL 103 -9.118 3.419 -5.829 776 H LEU 104 H LEU 104 -7.571 9.057 -6.353 777 HA LEU 104 HA LEU 104 -8.929 9.639 -3.811 778 1HB LEU 104 1HB LEU 104 -6.485 10.609 -5.316 779 2HB LEU 104 2HB LEU 104 -7.188 11.640 -4.168 780 HG LEU 104 HG LEU 104 -5.591 10.701 -2.882 781 1HD1 LEU 104 1HD1 LEU 104 -7.628 10.087 -1.690 782 2HD1 LEU 104 2HD1 LEU 104 -7.605 8.488 -2.495 783 3HD1 LEU 104 3HD1 LEU 104 -6.298 8.958 -1.386 784 1HD2 LEU 104 1HD2 LEU 104 -4.662 9.260 -4.592 785 2HD2 LEU 104 2HD2 LEU 104 -4.694 8.435 -3.036 786 3HD2 LEU 104 3HD2 LEU 104 -5.909 8.023 -4.275 787 H GLN 105 H GLN 105 -8.946 10.479 -7.166 788 HA GLN 105 HA GLN 105 -10.148 13.028 -7.210 789 1HB GLN 105 2HB GLN 105 -8.959 11.892 -9.086 790 2HB GLN 105 3HB GLN 105 -10.257 10.708 -9.134 791 1HG GLN 105 2HG GLN 105 -11.865 12.536 -9.748 792 2HG GLN 105 3HG GLN 105 -10.539 13.702 -9.657 793 1HE2 GLN 105 1HE2 GLN 105 -11.119 10.457 -11.206 794 2HE2 GLN 105 2HE2 GLN 105 -10.442 10.946 -12.756 Start of MODEL 2 1 1H ALA 1 H ALA 1 -10.725 6.340 9.083 2 2H ALA 1 2HN ALA 1 -9.177 6.419 9.692 3 3H ALA 1 3HN ALA 1 -9.459 6.596 8.072 4 HA ALA 1 HA ALA 1 -10.183 4.163 9.510 5 1HB ALA 1 1HB ALA 1 -10.103 3.146 7.313 6 2HB ALA 1 2HB ALA 1 -11.098 4.604 7.214 7 3HB ALA 1 3HB ALA 1 -9.433 4.638 6.594 8 H THR 2 H THR 2 -8.140 2.728 7.756 9 HA THR 2 HA THR 2 -6.120 2.039 7.706 10 HB THR 2 HB THR 2 -5.245 4.580 9.093 11 HG1 THR 2 1HG THR 2 -5.154 5.354 7.113 12 1HG2 THR 2 1HG2 THR 2 -3.464 2.959 9.321 13 2HG2 THR 2 2HG2 THR 2 -3.642 2.451 7.630 14 3HG2 THR 2 3HG2 THR 2 -3.039 4.077 8.027 15 H MET 3 H MET 3 -4.777 0.575 8.734 16 HA MET 3 HA MET 3 -4.777 0.253 11.603 17 1HB MET 3 1HB MET 3 -7.033 -0.635 10.712 18 2HB MET 3 2HB MET 3 -6.116 -1.884 9.873 19 1HG MET 3 1HG MET 3 -5.295 -2.746 12.012 20 2HG MET 3 2HG MET 3 -6.037 -1.400 12.883 21 1HE MET 3 1HE MET 3 -8.999 -1.136 11.771 22 2HE MET 3 2HE MET 3 -9.815 -2.268 12.868 23 3HE MET 3 3HE MET 3 -8.532 -1.206 13.489 24 H THR 4 H THR 4 -3.453 -1.928 12.060 25 HA THR 4 HA THR 4 -1.293 -2.378 10.171 26 HB THR 4 HB THR 4 -2.123 -4.130 12.482 27 HG1 THR 4 1HG THR 4 -0.607 -1.747 12.665 28 1HG2 THR 4 1HG2 THR 4 0.350 -4.380 12.779 29 2HG2 THR 4 2HG2 THR 4 -0.206 -4.982 11.218 30 3HG2 THR 4 3HG2 THR 4 0.605 -3.402 11.316 31 H LEU 5 H LEU 5 -0.976 -4.627 9.161 32 HA LEU 5 HA LEU 5 -3.464 -6.213 8.878 33 1HB LEU 5 1HB LEU 5 -2.550 -4.466 6.883 34 2HB LEU 5 2HB LEU 5 -1.749 -5.964 6.490 35 HG LEU 5 HG LEU 5 -3.946 -7.132 6.419 36 1HD1 LEU 5 1HD1 LEU 5 -6.007 -5.862 6.370 37 2HD1 LEU 5 2HD1 LEU 5 -5.218 -5.546 7.918 38 3HD1 LEU 5 3HD1 LEU 5 -5.150 -4.344 6.625 39 1HD2 LEU 5 1HD2 LEU 5 -4.763 -5.777 4.334 40 2HD2 LEU 5 2HD2 LEU 5 -3.372 -4.737 4.633 41 3HD2 LEU 5 3HD2 LEU 5 -3.129 -6.464 4.305 42 H THR 6 H THR 6 -2.964 -8.405 7.817 43 HA THR 6 HA THR 6 -0.382 -9.406 7.952 44 HB THR 6 HB THR 6 -1.164 -11.402 9.297 45 HG1 THR 6 1HG THR 6 -2.881 -11.177 10.640 46 1HG2 THR 6 1HG2 THR 6 0.308 -9.635 10.296 47 2HG2 THR 6 2HG2 THR 6 -1.143 -8.860 10.970 48 3HG2 THR 6 3HG2 THR 6 -0.691 -10.502 11.476 49 H ASP 7 H ASP 7 -0.720 -11.630 7.003 50 HA ASP 7 HA ASP 7 -1.778 -11.707 4.498 51 1HB ASP 7 1HB ASP 7 -1.112 -13.906 6.441 52 2HB ASP 7 2HB ASP 7 -2.107 -14.368 5.070 53 H ALA 8 H ALA 8 -3.494 -13.322 7.162 54 HA ALA 8 HA ALA 8 -5.858 -13.820 5.639 55 1HB ALA 8 1HB ALA 8 -5.609 -13.462 8.665 56 2HB ALA 8 2HB ALA 8 -6.956 -14.249 7.815 57 3HB ALA 8 3HB ALA 8 -5.337 -14.978 7.771 58 H ASN 9 H ASN 9 -4.854 -10.913 7.338 59 HA ASN 9 HA ASN 9 -7.487 -9.686 7.230 60 1HB ASN 9 1HB ASN 9 -4.803 -8.758 8.187 61 2HB ASN 9 2HB ASN 9 -6.183 -7.685 8.024 62 1HD2 ASN 9 1HD2 ASN 9 -4.625 -9.808 10.192 63 2HD2 ASN 9 2HD2 ASN 9 -5.995 -9.943 11.301 64 H PHE 10 H PHE 10 -4.702 -10.003 5.143 65 HA PHE 10 HA PHE 10 -4.936 -7.711 3.517 66 1HB PHE 10 1HB PHE 10 -3.187 -9.654 3.619 67 2HB PHE 10 2HB PHE 10 -4.223 -10.449 2.448 68 HD1 PHE 10 1HD PHE 10 -1.296 -8.610 2.759 69 HD2 PHE 10 2HD PHE 10 -4.903 -8.735 0.355 70 HE1 PHE 10 1HE PHE 10 -0.159 -7.475 0.975 71 HE2 PHE 10 2HE PHE 10 -3.722 -7.624 -1.458 72 HZ PHE 10 HZ PHE 10 -1.327 -6.950 -1.184 73 H GLN 11 H GLN 11 -6.333 -10.969 3.013 74 HA GLN 11 HA GLN 11 -8.237 -10.218 1.024 75 1HB GLN 11 1HB GLN 11 -8.095 -12.495 3.056 76 2HB GLN 11 2HB GLN 11 -9.416 -12.354 1.882 77 1HG GLN 11 1HG GLN 11 -7.853 -12.438 0.009 78 2HG GLN 11 2HG GLN 11 -6.475 -12.431 1.117 79 1HE2 GLN 11 1HE2 GLN 11 -5.538 -14.404 0.971 80 2HE2 GLN 11 2HE2 GLN 11 -6.406 -15.943 1.112 81 H GLN 12 H GLN 12 -8.631 -10.427 4.632 82 HA GLN 12 HA GLN 12 -11.361 -9.792 4.652 83 1HB GLN 12 1HB GLN 12 -10.020 -10.574 6.608 84 2HB GLN 12 2HB GLN 12 -9.325 -8.942 6.740 85 1HG GLN 12 1HG GLN 12 -11.358 -7.969 7.395 86 2HG GLN 12 2HG GLN 12 -12.310 -9.319 6.779 87 1HE2 GLN 12 1HE2 GLN 12 -9.447 -9.220 9.261 88 2HE2 GLN 12 2HE2 GLN 12 -10.474 -10.070 10.379 89 H ALA 13 H ALA 13 -8.570 -7.528 4.415 90 HA ALA 13 HA ALA 13 -10.228 -5.188 4.401 91 1HB ALA 13 1HB ALA 13 -7.875 -5.099 5.072 92 2HB ALA 13 2HB ALA 13 -7.362 -5.599 3.445 93 3HB ALA 13 3HB ALA 13 -8.178 -4.038 3.690 94 H ILE 14 H ILE 14 -8.423 -6.908 1.747 95 HA ILE 14 HA ILE 14 -9.437 -5.097 -0.199 96 HB ILE 14 HB ILE 14 -8.358 -6.427 -1.860 97 1HG1 ILE 14 1HG1 ILE 14 -7.373 -8.517 0.023 98 2HG1 ILE 14 2HG1 ILE 14 -8.943 -8.722 -0.754 99 1HG2 ILE 14 1HG2 ILE 14 -6.052 -6.253 -1.058 100 2HG2 ILE 14 2HG2 ILE 14 -7.020 -4.884 -0.505 101 3HG2 ILE 14 3HG2 ILE 14 -6.608 -6.190 0.620 102 1HD1 ILE 14 1HD1 ILE 14 -7.867 -8.471 -2.974 103 2HD1 ILE 14 2HD1 ILE 14 -6.283 -8.301 -2.177 104 3HD1 ILE 14 3HD1 ILE 14 -7.187 -9.820 -2.040 105 H GLN 15 H GLN 15 -11.218 -7.499 1.205 106 HA GLN 15 HA GLN 15 -12.430 -9.038 -0.560 107 1HB GLN 15 1HB GLN 15 -14.407 -9.092 0.842 108 2HB GLN 15 2HB GLN 15 -12.937 -9.065 1.808 109 1HG GLN 15 1HG GLN 15 -13.286 -6.652 2.298 110 2HG GLN 15 2HG GLN 15 -14.746 -6.657 1.301 111 1HE2 GLN 15 1HE2 GLN 15 -13.407 -7.534 4.433 112 2HE2 GLN 15 2HE2 GLN 15 -14.960 -8.075 5.102 113 H GLY 16 H GLY 16 -13.384 -5.535 -0.365 114 1HA GLY 16 1HA GLY 16 -13.780 -5.183 -2.967 115 2HA GLY 16 2HA GLY 16 -15.322 -5.937 -2.532 116 H ASP 17 H ASP 17 -15.792 -3.823 -3.524 117 HA ASP 17 HA ASP 17 -16.862 -1.922 -3.641 118 1HB ASP 17 1HB ASP 17 -18.200 -2.776 -1.804 119 2HB ASP 17 2HB ASP 17 -17.066 -2.115 -0.620 120 H GLY 18 H GLY 18 -14.678 -1.788 -0.966 121 1HA GLY 18 1HA GLY 18 -14.543 1.145 -1.176 122 2HA GLY 18 2HA GLY 18 -13.870 0.181 0.142 123 HA PRO 19 HA PRO 19 -10.313 1.365 -2.819 124 1HB PRO 19 1HB PRO 19 -9.580 3.877 -2.082 125 2HB PRO 19 2HB PRO 19 -10.774 3.572 -3.367 126 1HG PRO 19 1HG PRO 19 -11.331 4.216 -0.466 127 2HG PRO 19 2HG PRO 19 -12.078 4.945 -1.922 128 1HD PRO 19 1HD PRO 19 -13.253 2.941 -0.478 129 2HD PRO 19 2HD PRO 19 -13.435 3.047 -2.256 130 H VAL 20 H VAL 20 -9.545 -0.280 -1.541 131 HA VAL 20 HA VAL 20 -8.257 0.367 1.066 132 HB VAL 20 HB VAL 20 -8.687 -2.215 -0.505 133 1HG1 VAL 20 1HG1 VAL 20 -7.710 -3.422 1.434 134 2HG1 VAL 20 2HG1 VAL 20 -6.508 -2.457 0.588 135 3HG1 VAL 20 3HG1 VAL 20 -7.180 -1.873 2.129 136 1HG2 VAL 20 1HG2 VAL 20 -10.666 -1.367 0.722 137 2HG2 VAL 20 2HG2 VAL 20 -10.051 -2.850 1.438 138 3HG2 VAL 20 3HG2 VAL 20 -9.710 -1.297 2.221 139 H LEU 21 H LEU 21 -5.964 0.346 1.218 140 HA LEU 21 HA LEU 21 -4.516 -0.712 -1.071 141 1HB LEU 21 1HB LEU 21 -2.915 1.093 -1.211 142 2HB LEU 21 2HB LEU 21 -4.536 1.613 -1.637 143 HG LEU 21 HG LEU 21 -3.799 2.090 1.163 144 1HD1 LEU 21 1HD1 LEU 21 -2.441 3.743 -0.970 145 2HD1 LEU 21 2HD1 LEU 21 -2.363 3.981 0.790 146 3HD1 LEU 21 3HD1 LEU 21 -1.642 2.541 0.075 147 1HD2 LEU 21 1HD2 LEU 21 -5.911 2.956 0.176 148 2HD2 LEU 21 2HD2 LEU 21 -4.886 4.243 0.820 149 3HD2 LEU 21 3HD2 LEU 21 -4.964 3.960 -0.935 150 H VAL 22 H VAL 22 -2.189 -0.992 -0.544 151 HA VAL 22 HA VAL 22 -1.871 -1.825 2.314 152 HB VAL 22 HB VAL 22 -1.308 -3.283 -0.295 153 1HG1 VAL 22 1HG1 VAL 22 -0.252 -5.071 1.088 154 2HG1 VAL 22 2HG1 VAL 22 0.706 -3.603 1.014 155 3HG1 VAL 22 3HG1 VAL 22 -0.239 -3.941 2.472 156 1HG2 VAL 22 1HG2 VAL 22 -2.891 -4.011 2.216 157 2HG2 VAL 22 2HG2 VAL 22 -3.574 -3.571 0.638 158 3HG2 VAL 22 3HG2 VAL 22 -2.656 -5.069 0.812 159 H ASP 23 H ASP 23 0.009 -1.201 3.290 160 HA ASP 23 HA ASP 23 2.184 0.005 1.649 161 1HB ASP 23 1HB ASP 23 1.181 1.111 3.783 162 2HB ASP 23 2HB ASP 23 1.913 -0.163 4.688 163 H PHE 24 H PHE 24 3.330 -1.712 0.820 164 HA PHE 24 HA PHE 24 3.970 -4.070 2.511 165 1HB PHE 24 1HB PHE 24 4.380 -3.345 -0.375 166 2HB PHE 24 2HB PHE 24 5.275 -4.644 0.346 167 HD1 PHE 24 1HD PHE 24 2.284 -3.923 -1.445 168 HD2 PHE 24 2HD PHE 24 3.988 -6.462 1.591 169 HE1 PHE 24 1HE PHE 24 0.817 -5.791 -2.168 170 HE2 PHE 24 2HE PHE 24 2.613 -8.351 0.792 171 HZ PHE 24 HZ PHE 24 1.131 -8.075 -1.127 172 H TRP 25 H TRP 25 5.570 -3.733 3.830 173 HA TRP 25 HA TRP 25 8.022 -2.325 2.920 174 1HB TRP 25 1HB TRP 25 8.206 -1.151 4.976 175 2HB TRP 25 2HB TRP 25 6.572 -0.894 4.432 176 HD1 TRP 25 HD TRP 25 4.651 -2.315 5.787 177 HE1 TRP 25 1HE TRP 25 4.574 -3.124 8.224 178 HE3 TRP 25 3HE TRP 25 9.617 -1.895 6.910 179 HZ2 TRP 25 2HZ TRP 25 6.478 -3.620 10.378 180 HZ3 TRP 25 3HZ TRP 25 10.461 -2.516 9.158 181 HH2 TRP 25 HH TRP 25 8.905 -3.395 10.888 182 H ALA 26 H ALA 26 9.889 -3.081 4.758 183 HA ALA 26 HA ALA 26 9.392 -5.808 5.661 184 1HB ALA 26 1HB ALA 26 11.258 -6.791 4.526 185 2HB ALA 26 2HB ALA 26 10.275 -6.022 3.272 186 3HB ALA 26 3HB ALA 26 11.758 -5.236 3.823 187 H ALA 27 H ALA 27 10.773 -6.405 7.320 188 HA ALA 27 HA ALA 27 11.740 -4.391 8.968 189 1HB ALA 27 1HB ALA 27 12.514 -7.336 8.977 190 2HB ALA 27 2HB ALA 27 12.674 -6.203 10.335 191 3HB ALA 27 3HB ALA 27 11.062 -6.629 9.729 192 H TRP 28 H TRP 28 13.579 -5.931 6.374 193 HA TRP 28 HA TRP 28 16.119 -4.949 7.552 194 1HB TRP 28 1HB TRP 28 17.174 -6.643 6.592 195 2HB TRP 28 2HB TRP 28 15.595 -7.389 6.590 196 HD1 TRP 28 HD TRP 28 18.345 -6.114 4.406 197 HE1 TRP 28 1HE TRP 28 17.867 -6.436 1.919 198 HE3 TRP 28 3HE TRP 28 13.496 -7.741 4.718 199 HZ2 TRP 28 2HZ TRP 28 15.580 -7.030 0.250 200 HZ3 TRP 28 3HZ TRP 28 12.181 -8.125 2.645 201 HH2 TRP 28 HH TRP 28 13.198 -7.696 0.423 202 H CYS 29 H CYS 29 13.850 -3.689 5.443 203 HA CYS 29 HA CYS 29 15.326 -3.291 3.073 204 1HB CYS 29 1HB CYS 29 13.465 -1.977 2.368 205 2HB CYS 29 2HB CYS 29 12.816 -3.227 3.428 206 H GLY 30 H GLY 30 15.746 -1.095 2.076 207 1HA GLY 30 1HA GLY 30 16.951 0.885 3.941 208 2HA GLY 30 2HA GLY 30 17.157 0.839 2.192 209 HA PRO 31 HA PRO 31 14.335 4.079 1.880 210 1HB PRO 31 1HB PRO 31 12.912 3.621 -0.467 211 2HB PRO 31 2HB PRO 31 14.613 4.179 -0.376 212 1HG PRO 31 1HG PRO 31 13.575 1.359 -0.766 213 2HG PRO 31 2HG PRO 31 14.884 2.195 -1.661 214 1HD PRO 31 1HD PRO 31 15.445 0.479 0.351 215 2HD PRO 31 2HD PRO 31 16.378 1.998 0.176 216 H CYS 32 H CYS 32 12.750 0.910 1.909 217 HA CYS 32 HA CYS 32 10.111 1.974 2.155 218 1HB CYS 32 1HB CYS 32 9.353 -0.114 2.435 219 2HB CYS 32 2HB CYS 32 10.909 -0.517 1.730 220 H ARG 33 H ARG 33 12.737 1.757 4.459 221 HA ARG 33 HA ARG 33 11.124 2.116 6.825 222 1HB ARG 33 1HB ARG 33 13.456 1.123 6.611 223 2HB ARG 33 2HB ARG 33 14.049 2.762 6.328 224 1HG ARG 33 1HG ARG 33 13.351 3.440 8.583 225 2HG ARG 33 2HG ARG 33 12.611 1.840 8.854 226 1HD ARG 33 1HD ARG 33 14.806 0.758 8.569 227 2HD ARG 33 2HD ARG 33 15.557 2.332 8.224 228 HE ARG 33 HE ARG 33 14.281 2.551 10.707 229 1HH1 ARG 33 2HH2 ARG 33 16.942 0.702 9.313 230 2HH1 ARG 33 1HH2 ARG 33 17.868 0.592 10.769 231 1HH2 ARG 33 2HH1 ARG 33 15.483 2.421 12.688 232 2HH2 ARG 33 1HH1 ARG 33 16.997 1.598 12.739 233 H MET 34 H MET 34 12.088 4.241 4.271 234 HA MET 34 HA MET 34 11.558 6.667 5.850 235 1HB MET 34 1HB MET 34 12.567 6.205 2.997 236 2HB MET 34 2HB MET 34 12.331 7.793 3.715 237 1HG MET 34 1HG MET 34 14.171 7.576 5.141 238 2HG MET 34 2HG MET 34 14.162 5.816 5.077 239 1HE MET 34 1HE MET 34 14.865 9.067 2.910 240 2HE MET 34 2HE MET 34 15.627 8.352 1.471 241 3HE MET 34 3HE MET 34 13.905 8.071 1.789 242 H MET 35 H MET 35 10.432 4.767 3.078 243 HA MET 35 HA MET 35 8.302 6.475 2.329 244 1HB MET 35 1HB MET 35 9.391 4.597 0.991 245 2HB MET 35 2HB MET 35 8.415 3.465 1.923 246 1HG MET 35 1HG MET 35 7.519 3.981 -0.296 247 2HG MET 35 2HG MET 35 6.414 4.483 0.963 248 1HE MET 35 1HE MET 35 5.243 5.564 -1.176 249 2HE MET 35 2HE MET 35 5.964 6.853 -2.159 250 3HE MET 35 3HE MET 35 6.603 5.196 -2.237 251 H ALA 36 H ALA 36 8.407 3.605 4.584 252 HA ALA 36 HA ALA 36 5.606 3.470 4.918 253 1HB ALA 36 1HB ALA 36 7.808 2.711 6.887 254 2HB ALA 36 2HB ALA 36 6.095 2.251 7.017 255 3HB ALA 36 3HB ALA 36 7.062 1.677 5.649 256 HA PRO 37 HA PRO 37 5.679 6.774 8.335 257 1HB PRO 37 1HB PRO 37 7.811 8.550 8.461 258 2HB PRO 37 2HB PRO 37 7.574 7.125 9.519 259 1HG PRO 37 1HG PRO 37 9.325 7.404 7.105 260 2HG PRO 37 2HG PRO 37 9.665 6.553 8.630 261 1HD PRO 37 1HD PRO 37 8.885 5.216 6.387 262 2HD PRO 37 2HD PRO 37 8.404 4.684 8.014 263 H VAL 38 H VAL 38 7.434 7.648 5.192 264 HA VAL 38 HA VAL 38 6.027 10.147 5.048 265 HB VAL 38 HB VAL 38 7.953 8.775 3.503 266 1HG1 VAL 38 1HG1 VAL 38 7.347 9.152 1.193 267 2HG1 VAL 38 2HG1 VAL 38 6.292 7.948 1.939 268 3HG1 VAL 38 3HG1 VAL 38 5.693 9.587 1.662 269 1HG2 VAL 38 1HG2 VAL 38 6.778 11.547 3.298 270 2HG2 VAL 38 2HG2 VAL 38 8.173 11.021 4.235 271 3HG2 VAL 38 3HG2 VAL 38 8.256 11.005 2.467 272 H LEU 39 H LEU 39 5.081 6.880 4.105 273 HA LEU 39 HA LEU 39 2.641 7.498 2.820 274 1HB LEU 39 1HB LEU 39 3.900 5.022 4.055 275 2HB LEU 39 2HB LEU 39 2.310 4.986 3.375 276 HG LEU 39 HG LEU 39 4.853 5.645 1.852 277 1HD1 LEU 39 1HD1 LEU 39 4.622 3.276 2.405 278 2HD1 LEU 39 2HD1 LEU 39 2.964 3.256 1.785 279 3HD1 LEU 39 3HD1 LEU 39 4.329 3.498 0.676 280 1HD2 LEU 39 1HD2 LEU 39 3.390 5.455 -0.183 281 2HD2 LEU 39 2HD2 LEU 39 2.003 5.684 0.895 282 3HD2 LEU 39 3HD2 LEU 39 3.270 6.944 0.750 283 H GLU 40 H GLU 40 3.560 7.614 6.189 284 HA GLU 40 HA GLU 40 0.901 6.919 7.163 285 1HB GLU 40 1HB GLU 40 3.397 6.839 8.302 286 2HB GLU 40 2HB GLU 40 2.856 8.398 8.896 287 1HG GLU 40 1HG GLU 40 2.156 6.854 10.544 288 2HG GLU 40 2HG GLU 40 0.676 7.114 9.611 289 H GLU 41 H GLU 41 2.794 9.844 6.466 290 HA GLU 41 HA GLU 41 0.786 11.762 7.240 291 1HB GLU 41 1HB GLU 41 2.756 11.928 4.956 292 2HB GLU 41 2HB GLU 41 1.969 13.291 5.738 293 1HG GLU 41 1HG GLU 41 3.258 12.869 7.801 294 2HG GLU 41 2HG GLU 41 4.009 11.444 7.069 295 H PHE 42 H PHE 42 1.463 9.964 4.224 296 HA PHE 42 HA PHE 42 -0.779 10.912 2.663 297 1HB PHE 42 1HB PHE 42 1.190 9.718 1.739 298 2HB PHE 42 2HB PHE 42 0.719 8.274 2.609 299 HD1 PHE 42 1HD PHE 42 -1.123 6.849 1.896 300 HD2 PHE 42 2HD PHE 42 0.027 10.363 -0.344 301 HE1 PHE 42 1HE PHE 42 -2.490 6.089 -0.045 302 HE2 PHE 42 2HE PHE 42 -1.259 9.538 -2.288 303 HZ PHE 42 HZ PHE 42 -2.623 7.478 -2.082 304 H ALA 43 H ALA 43 -0.481 8.050 4.895 305 HA ALA 43 HA ALA 43 -3.084 7.132 4.591 306 1HB ALA 43 1HB ALA 43 -2.808 6.052 6.744 307 2HB ALA 43 2HB ALA 43 -1.228 6.018 5.927 308 3HB ALA 43 3HB ALA 43 -1.541 7.176 7.230 309 H GLU 44 H GLU 44 -1.905 9.581 6.912 310 HA GLU 44 HA GLU 44 -4.393 10.197 8.102 311 1HB GLU 44 1HB GLU 44 -2.212 10.755 9.029 312 2HB GLU 44 2HB GLU 44 -1.910 11.921 7.746 313 1HG GLU 44 1HG GLU 44 -4.481 12.360 9.198 314 2HG GLU 44 2HG GLU 44 -3.068 12.415 10.233 315 H ALA 45 H ALA 45 -2.694 11.858 5.408 316 HA ALA 45 HA ALA 45 -4.335 14.021 5.214 317 1HB ALA 45 1HB ALA 45 -3.337 14.360 2.965 318 2HB ALA 45 2HB ALA 45 -2.132 13.835 4.155 319 3HB ALA 45 3HB ALA 45 -2.775 12.674 2.966 320 H HIS 46 H HIS 46 -5.171 10.909 3.981 321 HA HIS 46 HA HIS 46 -7.822 11.969 3.265 322 1HB HIS 46 1HB HIS 46 -7.760 10.401 1.183 323 2HB HIS 46 2HB HIS 46 -7.098 12.025 1.118 324 HD1 HIS 46 1HD HIS 46 -4.906 11.995 -0.475 325 HD2 HIS 46 2HD HIS 46 -5.272 8.771 2.330 326 HE1 HIS 46 1HE HIS 46 -2.858 10.688 -0.573 327 HE2 HIS 46 2HE HIS 46 -3.034 8.694 1.018 328 H ALA 47 H ALA 47 -6.907 10.659 5.589 329 HA ALA 47 HA ALA 47 -7.395 7.890 5.689 330 1HB ALA 47 1HB ALA 47 -6.359 9.221 7.520 331 2HB ALA 47 2HB ALA 47 -7.915 10.007 7.831 332 3HB ALA 47 3HB ALA 47 -7.714 8.264 8.114 333 H ASP 48 H ASP 48 -9.720 10.280 4.921 334 HA ASP 48 HA ASP 48 -12.040 8.785 5.867 335 1HB ASP 48 1HB ASP 48 -13.247 10.781 5.106 336 2HB ASP 48 2HB ASP 48 -11.935 11.266 6.180 337 H LYS 49 H LYS 49 -10.682 10.111 2.817 338 HA LYS 49 HA LYS 49 -12.652 8.828 1.192 339 1HB LYS 49 1HB LYS 49 -11.311 10.833 0.558 340 2HB LYS 49 2HB LYS 49 -9.886 9.807 0.359 341 1HG LYS 49 1HG LYS 49 -10.940 8.582 -1.465 342 2HG LYS 49 2HG LYS 49 -12.479 9.405 -1.203 343 1HD LYS 49 1HD LYS 49 -9.893 10.791 -2.036 344 2HD LYS 49 2HD LYS 49 -11.110 10.220 -3.181 345 1HE LYS 49 1HE LYS 49 -12.808 11.710 -2.180 346 2HE LYS 49 2HE LYS 49 -11.638 12.239 -0.961 347 1HZ LYS 49 1HZ LYS 49 -11.805 12.985 -3.791 348 2HZ LYS 49 2HZ LYS 49 -11.313 13.871 -2.491 349 3HZ LYS 49 3HZ LYS 49 -10.319 12.757 -3.206 350 H VAL 50 H VAL 50 -9.708 7.537 2.593 351 HA VAL 50 HA VAL 50 -10.135 5.001 1.145 352 HB VAL 50 HB VAL 50 -7.811 4.761 0.500 353 1HG1 VAL 50 1HG1 VAL 50 -8.800 7.413 -0.587 354 2HG1 VAL 50 2HG1 VAL 50 -7.720 6.253 -1.389 355 3HG1 VAL 50 3HG1 VAL 50 -9.422 5.849 -1.099 356 1HG2 VAL 50 1HG2 VAL 50 -6.726 6.240 2.219 357 2HG2 VAL 50 2HG2 VAL 50 -6.162 6.538 0.565 358 3HG2 VAL 50 3HG2 VAL 50 -7.322 7.646 1.312 359 H THR 51 H THR 51 -8.624 3.245 2.062 360 HA THR 51 HA THR 51 -7.584 3.944 4.668 361 HB THR 51 HB THR 51 -9.659 2.704 5.088 362 HG1 THR 51 1HG THR 51 -7.220 1.393 5.792 363 1HG2 THR 51 1HG2 THR 51 -9.634 1.211 3.106 364 2HG2 THR 51 2HG2 THR 51 -8.285 0.308 3.837 365 3HG2 THR 51 3HG2 THR 51 -9.865 0.361 4.650 366 H VAL 52 H VAL 52 -5.470 3.419 4.834 367 HA VAL 52 HA VAL 52 -4.452 1.400 2.935 368 HB VAL 52 HB VAL 52 -3.225 3.498 2.912 369 1HG1 VAL 52 1HG1 VAL 52 -1.785 4.236 4.695 370 2HG1 VAL 52 2HG1 VAL 52 -3.480 4.285 5.203 371 3HG1 VAL 52 3HG1 VAL 52 -2.407 2.980 5.773 372 1HG2 VAL 52 1HG2 VAL 52 -1.022 2.665 2.902 373 2HG2 VAL 52 2HG2 VAL 52 -1.377 1.419 4.099 374 3HG2 VAL 52 3HG2 VAL 52 -2.052 1.299 2.461 375 H ALA 53 H ALA 53 -2.880 -0.052 4.089 376 HA ALA 53 HA ALA 53 -3.098 -0.174 6.916 377 1HB ALA 53 1HB ALA 53 -5.024 -1.658 6.360 378 2HB ALA 53 2HB ALA 53 -3.958 -2.639 5.329 379 3HB ALA 53 3HB ALA 53 -3.697 -2.564 7.097 380 H LYS 54 H LYS 54 -1.276 -1.456 7.764 381 HA LYS 54 HA LYS 54 0.854 -1.516 5.668 382 1HB LYS 54 1HB LYS 54 1.223 -1.056 8.647 383 2HB LYS 54 2HB LYS 54 2.426 -0.829 7.375 384 1HG LYS 54 1HG LYS 54 1.102 1.107 6.486 385 2HG LYS 54 2HG LYS 54 -0.102 0.831 7.749 386 1HD LYS 54 1HD LYS 54 1.073 2.391 8.845 387 2HD LYS 54 2HD LYS 54 1.979 1.004 9.383 388 1HE LYS 54 1HE LYS 54 3.527 2.709 8.826 389 2HE LYS 54 2HE LYS 54 3.690 1.472 7.554 390 1HZ LYS 54 1HZ LYS 54 3.555 3.938 6.919 391 2HZ LYS 54 2HZ LYS 54 2.691 2.879 6.030 392 3HZ LYS 54 3HZ LYS 54 1.956 3.837 7.261 393 H LEU 55 H LEU 55 2.174 -3.222 5.415 394 HA LEU 55 HA LEU 55 2.335 -5.175 7.617 395 1HB LEU 55 1HB LEU 55 1.706 -7.107 6.291 396 2HB LEU 55 2HB LEU 55 0.414 -5.962 6.521 397 HG LEU 55 HG LEU 55 1.527 -5.163 4.038 398 1HD1 LEU 55 1HD1 LEU 55 1.572 -7.207 2.714 399 2HD1 LEU 55 2HD1 LEU 55 2.832 -7.284 3.963 400 3HD1 LEU 55 3HD1 LEU 55 1.304 -8.194 4.148 401 1HD2 LEU 55 1HD2 LEU 55 -0.833 -6.985 4.651 402 2HD2 LEU 55 2HD2 LEU 55 -0.847 -5.197 4.546 403 3HD2 LEU 55 3HD2 LEU 55 -0.557 -6.176 3.106 404 H ASN 56 H ASN 56 3.931 -6.562 7.620 405 HA ASN 56 HA ASN 56 6.417 -5.851 6.275 406 1HB ASN 56 1HB ASN 56 6.384 -6.253 8.656 407 2HB ASN 56 2HB ASN 56 5.571 -7.801 8.448 408 1HD2 ASN 56 1HD2 ASN 56 7.130 -8.995 9.560 409 2HD2 ASN 56 2HD2 ASN 56 8.762 -9.230 8.909 410 H VAL 57 H VAL 57 6.706 -6.638 4.281 411 HA VAL 57 HA VAL 57 4.989 -8.408 3.019 412 HB VAL 57 HB VAL 57 6.365 -6.542 2.125 413 1HG1 VAL 57 1HG1 VAL 57 8.592 -8.616 1.838 414 2HG1 VAL 57 2HG1 VAL 57 8.639 -6.950 1.292 415 3HG1 VAL 57 3HG1 VAL 57 8.582 -7.304 3.027 416 1HG2 VAL 57 1HG2 VAL 57 6.419 -7.296 -0.083 417 2HG2 VAL 57 2HG2 VAL 57 6.688 -8.987 0.390 418 3HG2 VAL 57 3HG2 VAL 57 5.125 -8.227 0.691 419 H ASP 58 H ASP 58 8.152 -9.081 4.446 420 HA ASP 58 HA ASP 58 8.691 -11.611 3.233 421 1HB ASP 58 1HB ASP 58 10.369 -10.132 4.233 422 2HB ASP 58 2HB ASP 58 9.601 -10.307 5.810 423 H GLU 59 H GLU 59 7.105 -10.595 6.138 424 HA GLU 59 HA GLU 59 6.629 -13.168 7.394 425 1HB GLU 59 1HB GLU 59 7.003 -11.235 8.693 426 2HB GLU 59 2HB GLU 59 5.881 -10.283 7.739 427 1HG GLU 59 1HG GLU 59 4.004 -11.718 8.759 428 2HG GLU 59 2HG GLU 59 5.225 -12.236 9.931 429 H ASN 60 H ASN 60 4.817 -10.994 5.148 430 HA ASN 60 HA ASN 60 2.417 -12.650 5.433 431 1HB ASN 60 1HB ASN 60 2.890 -9.729 4.768 432 2HB ASN 60 2HB ASN 60 1.377 -10.572 4.636 433 1HD2 ASN 60 1HD2 ASN 60 3.677 -9.213 6.797 434 2HD2 ASN 60 2HD2 ASN 60 2.894 -9.553 8.344 435 HA PRO 61 HA PRO 61 3.911 -13.617 1.207 436 1HB PRO 61 1HB PRO 61 3.553 -16.328 1.265 437 2HB PRO 61 2HB PRO 61 4.997 -15.490 1.895 438 1HG PRO 61 1HG PRO 61 2.581 -16.437 3.476 439 2HG PRO 61 2HG PRO 61 4.317 -16.683 3.843 440 1HD PRO 61 1HD PRO 61 2.877 -14.673 4.986 441 2HD PRO 61 2HD PRO 61 4.589 -14.459 4.541 442 H GLU 62 H GLU 62 1.243 -15.766 2.285 443 HA GLU 62 HA GLU 62 -0.040 -16.901 0.834 444 1HB GLU 62 1HB GLU 62 -2.188 -16.085 1.004 445 2HB GLU 62 2HB GLU 62 -1.323 -15.644 2.463 446 1HG GLU 62 1HG GLU 62 -1.318 -13.311 1.857 447 2HG GLU 62 2HG GLU 62 -1.780 -13.667 0.192 448 H THR 63 H THR 63 0.528 -13.837 -0.794 449 HA THR 63 HA THR 63 0.446 -14.973 -3.364 450 HB THR 63 HB THR 63 -1.869 -13.283 -2.391 451 HG1 THR 63 1HG THR 63 -1.625 -15.726 -2.564 452 1HG2 THR 63 1HG2 THR 63 -1.235 -13.760 -5.327 453 2HG2 THR 63 2HG2 THR 63 -2.767 -13.147 -4.681 454 3HG2 THR 63 3HG2 THR 63 -1.299 -12.177 -4.502 455 H THR 64 H THR 64 1.486 -12.571 -1.188 456 HA THR 64 HA THR 64 2.547 -10.490 -2.573 457 HB THR 64 HB THR 64 3.645 -12.426 -0.511 458 HG1 THR 64 1HG THR 64 2.737 -11.082 0.916 459 1HG2 THR 64 1HG2 THR 64 5.239 -10.797 0.231 460 2HG2 THR 64 2HG2 THR 64 5.601 -11.255 -1.433 461 3HG2 THR 64 3HG2 THR 64 4.796 -9.706 -1.099 462 H SER 65 H SER 65 4.100 -13.756 -2.307 463 HA SER 65 HA SER 65 6.129 -13.081 -4.185 464 1HB SER 65 1HB SER 65 6.320 -14.835 -2.404 465 2HB SER 65 2HB SER 65 5.224 -15.864 -3.352 466 HG SER 65 HG SER 65 6.830 -15.362 -5.131 467 H GLN 66 H GLN 66 2.817 -13.989 -4.817 468 HA GLN 66 HA GLN 66 3.384 -15.308 -7.373 469 1HB GLN 66 1HB GLN 66 1.392 -15.790 -5.808 470 2HB GLN 66 2HB GLN 66 0.741 -14.240 -6.309 471 1HG GLN 66 1HG GLN 66 -0.331 -15.874 -7.654 472 2HG GLN 66 2HG GLN 66 0.817 -15.073 -8.718 473 1HE2 GLN 66 1HE2 GLN 66 -0.050 -18.125 -7.137 474 2HE2 GLN 66 2HE2 GLN 66 1.225 -19.054 -7.916 475 H PHE 67 H PHE 67 2.646 -12.055 -6.096 476 HA PHE 67 HA PHE 67 2.447 -10.963 -8.852 477 1HB PHE 67 1HB PHE 67 1.755 -9.961 -6.092 478 2HB PHE 67 2HB PHE 67 2.016 -8.824 -7.407 479 HD1 PHE 67 1HD PHE 67 0.004 -11.867 -6.522 480 HD2 PHE 67 2HD PHE 67 0.263 -8.268 -8.877 481 HE1 PHE 67 1HE PHE 67 -2.339 -12.187 -7.273 482 HE2 PHE 67 2HE PHE 67 -2.080 -8.587 -9.618 483 HZ PHE 67 HZ PHE 67 -3.386 -10.545 -8.819 484 H GLY 68 H GLY 68 4.981 -12.004 -7.184 485 1HA GLY 68 1HA GLY 68 7.219 -11.528 -7.263 486 2HA GLY 68 2HA GLY 68 6.850 -10.269 -8.450 487 H ILE 69 H ILE 69 5.335 -10.154 -5.262 488 HA ILE 69 HA ILE 69 6.311 -7.453 -4.947 489 HB ILE 69 HB ILE 69 4.472 -9.166 -3.254 490 1HG1 ILE 69 1HG1 ILE 69 3.613 -8.850 -5.518 491 2HG1 ILE 69 2HG1 ILE 69 2.620 -8.049 -4.323 492 1HG2 ILE 69 1HG2 ILE 69 5.040 -6.201 -3.074 493 2HG2 ILE 69 2HG2 ILE 69 3.552 -6.965 -2.489 494 3HG2 ILE 69 3HG2 ILE 69 5.077 -7.447 -1.799 495 1HD1 ILE 69 1HD1 ILE 69 3.615 -5.870 -4.938 496 2HD1 ILE 69 2HD1 ILE 69 4.643 -6.668 -6.150 497 3HD1 ILE 69 3HD1 ILE 69 2.879 -6.677 -6.330 498 H MET 70 H MET 70 8.532 -8.152 -4.887 499 HA MET 70 HA MET 70 9.381 -8.264 -2.013 500 1HB MET 70 1HB MET 70 10.087 -10.208 -3.657 501 2HB MET 70 2HB MET 70 11.194 -9.006 -4.315 502 1HG MET 70 1HG MET 70 12.592 -9.862 -2.768 503 2HG MET 70 2HG MET 70 11.799 -8.739 -1.678 504 1HE MET 70 1HE MET 70 8.874 -10.453 -1.246 505 2HE MET 70 2HE MET 70 9.350 -11.205 0.287 506 3HE MET 70 3HE MET 70 9.771 -9.508 -0.030 507 H SER 71 H SER 71 8.841 -6.201 -4.565 508 HA SER 71 HA SER 71 11.257 -4.631 -4.607 509 1HB SER 71 1HB SER 71 9.586 -3.358 -6.220 510 2HB SER 71 2HB SER 71 10.255 -4.926 -6.673 511 HG SER 71 HG SER 71 8.004 -4.871 -7.006 512 H ILE 72 H ILE 72 10.332 -4.659 -1.950 513 HA ILE 72 HA ILE 72 8.505 -2.553 -1.551 514 HB ILE 72 HB ILE 72 8.849 -2.687 0.782 515 1HG1 ILE 72 1HG1 ILE 72 11.226 -3.050 1.017 516 2HG1 ILE 72 2HG1 ILE 72 10.240 -4.152 1.951 517 1HG2 ILE 72 1HG2 ILE 72 7.896 -4.838 1.085 518 2HG2 ILE 72 2HG2 ILE 72 7.340 -4.171 -0.453 519 3HG2 ILE 72 3HG2 ILE 72 8.572 -5.432 -0.462 520 1HD1 ILE 72 1HD1 ILE 72 11.753 -4.823 -0.596 521 2HD1 ILE 72 2HD1 ILE 72 12.127 -5.340 1.052 522 3HD1 ILE 72 3HD1 ILE 72 10.671 -5.957 0.258 523 HA PRO 73 HA PRO 73 8.110 -0.757 0.262 524 1HB PRO 73 1HB PRO 73 7.424 1.789 -0.409 525 2HB PRO 73 2HB PRO 73 8.486 1.375 0.953 526 1HG PRO 73 1HG PRO 73 9.244 2.298 -1.822 527 2HG PRO 73 2HG PRO 73 9.971 2.813 -0.274 528 1HD PRO 73 1HD PRO 73 11.101 0.934 -1.928 529 2HD PRO 73 2HD PRO 73 11.296 0.886 -0.159 530 H THR 74 H THR 74 6.348 -1.590 -0.688 531 HA THR 74 HA THR 74 5.711 -0.788 -3.485 532 HB THR 74 HB THR 74 4.998 -3.478 -2.267 533 HG1 THR 74 1HG THR 74 7.326 -2.740 -3.631 534 1HG2 THR 74 1HG2 THR 74 4.704 -2.286 -5.016 535 2HG2 THR 74 2HG2 THR 74 4.787 -4.027 -4.761 536 3HG2 THR 74 3HG2 THR 74 3.497 -3.073 -4.000 537 H LEU 75 H LEU 75 3.551 -0.367 -3.896 538 HA LEU 75 HA LEU 75 1.682 -0.208 -1.593 539 1HB LEU 75 1HB LEU 75 2.924 1.948 -2.011 540 2HB LEU 75 2HB LEU 75 2.202 1.986 -3.602 541 HG LEU 75 HG LEU 75 0.261 1.523 -1.361 542 1HD1 LEU 75 1HD1 LEU 75 1.685 4.185 -1.687 543 2HD1 LEU 75 2HD1 LEU 75 0.221 3.912 -0.720 544 3HD1 LEU 75 3HD1 LEU 75 1.732 3.109 -0.272 545 1HD2 LEU 75 1HD2 LEU 75 -1.064 3.121 -2.667 546 2HD2 LEU 75 2HD2 LEU 75 0.310 3.411 -3.752 547 3HD2 LEU 75 3HD2 LEU 75 -0.470 1.813 -3.699 548 H ILE 76 H ILE 76 -0.275 -1.242 -2.335 549 HA ILE 76 HA ILE 76 -0.835 -1.103 -5.245 550 HB ILE 76 HB ILE 76 -1.415 -3.506 -3.514 551 1HG1 ILE 76 1HG1 ILE 76 0.859 -3.206 -5.520 552 2HG1 ILE 76 2HG1 ILE 76 0.996 -3.454 -3.776 553 1HG2 ILE 76 1HG2 ILE 76 -1.590 -3.107 -6.545 554 2HG2 ILE 76 2HG2 ILE 76 -2.020 -4.597 -5.680 555 3HG2 ILE 76 3HG2 ILE 76 -2.975 -3.160 -5.431 556 1HD1 ILE 76 1HD1 ILE 76 0.133 -5.458 -5.864 557 2HD1 ILE 76 2HD1 ILE 76 1.395 -5.577 -4.627 558 3HD1 ILE 76 3HD1 ILE 76 -0.304 -5.666 -4.151 559 H LEU 77 H LEU 77 -2.994 -0.676 -5.687 560 HA LEU 77 HA LEU 77 -4.750 -0.026 -3.396 561 1HB LEU 77 1HB LEU 77 -4.036 1.263 -5.989 562 2HB LEU 77 2HB LEU 77 -5.750 0.998 -5.795 563 HG LEU 77 HG LEU 77 -5.592 2.073 -3.511 564 1HD1 LEU 77 1HD1 LEU 77 -3.619 3.492 -3.113 565 2HD1 LEU 77 2HD1 LEU 77 -3.061 1.830 -3.372 566 3HD1 LEU 77 3HD1 LEU 77 -2.919 2.985 -4.682 567 1HD2 LEU 77 1HD2 LEU 77 -4.930 3.704 -5.963 568 2HD2 LEU 77 2HD2 LEU 77 -6.554 3.257 -5.388 569 3HD2 LEU 77 3HD2 LEU 77 -5.561 4.377 -4.440 570 H PHE 78 H PHE 78 -6.802 -0.854 -3.374 571 HA PHE 78 HA PHE 78 -7.587 -2.787 -5.473 572 1HB PHE 78 1HB PHE 78 -7.837 -3.167 -2.462 573 2HB PHE 78 2HB PHE 78 -8.368 -4.291 -3.697 574 HD1 PHE 78 1HD PHE 78 -5.352 -2.745 -2.115 575 HD2 PHE 78 2HD PHE 78 -6.872 -5.957 -4.563 576 HE1 PHE 78 1HE PHE 78 -3.168 -3.887 -1.968 577 HE2 PHE 78 2HE PHE 78 -4.687 -7.111 -4.392 578 HZ PHE 78 HZ PHE 78 -2.814 -6.060 -3.136 579 H LYS 79 H LYS 79 -9.851 -2.960 -5.755 580 HA LYS 79 HA LYS 79 -11.635 -2.248 -3.726 581 1HB LYS 79 1HB LYS 79 -13.085 -0.668 -4.885 582 2HB LYS 79 2HB LYS 79 -11.571 0.047 -4.421 583 1HG LYS 79 1HG LYS 79 -12.177 -0.915 -7.254 584 2HG LYS 79 2HG LYS 79 -12.561 0.696 -6.675 585 1HD LYS 79 1HD LYS 79 -9.790 -0.496 -6.989 586 2HD LYS 79 2HD LYS 79 -10.522 0.774 -7.948 587 1HE LYS 79 1HE LYS 79 -9.804 0.997 -4.993 588 2HE LYS 79 2HE LYS 79 -8.846 1.630 -6.332 589 1HZ LYS 79 1HZ LYS 79 -10.212 3.345 -5.379 590 2HZ LYS 79 2HZ LYS 79 -10.702 3.053 -6.922 591 3HZ LYS 79 3HZ LYS 79 -11.587 2.481 -5.657 592 H GLY 80 H GLY 80 -13.915 -2.845 -4.511 593 1HA GLY 80 1HA GLY 80 -15.304 -4.429 -5.469 594 2HA GLY 80 2HA GLY 80 -14.396 -4.142 -6.950 595 H GLY 81 H GLY 81 -12.289 -5.393 -4.526 596 1HA GLY 81 1HA GLY 81 -11.708 -7.610 -3.986 597 2HA GLY 81 2HA GLY 81 -12.688 -8.212 -5.318 598 H GLU 82 H GLU 82 -10.918 -5.507 -6.504 599 HA GLU 82 HA GLU 82 -8.944 -7.366 -7.708 600 1HB GLU 82 1HB GLU 82 -10.900 -6.852 -9.108 601 2HB GLU 82 2HB GLU 82 -10.570 -5.121 -8.956 602 1HG GLU 82 1HG GLU 82 -8.397 -5.433 -10.113 603 2HG GLU 82 2HG GLU 82 -8.691 -7.175 -10.207 604 HA PRO 83 HA PRO 83 -6.015 -4.024 -6.662 605 1HB PRO 83 1HB PRO 83 -3.802 -4.969 -7.986 606 2HB PRO 83 2HB PRO 83 -4.351 -5.603 -6.417 607 1HG PRO 83 1HG PRO 83 -4.829 -6.754 -9.169 608 2HG PRO 83 2HG PRO 83 -4.386 -7.615 -7.663 609 1HD PRO 83 1HD PRO 83 -6.955 -7.459 -8.628 610 2HD PRO 83 2HD PRO 83 -6.590 -7.569 -6.881 611 H VAL 84 H VAL 84 -6.264 -2.063 -7.780 612 HA VAL 84 HA VAL 84 -6.641 -2.132 -10.688 613 HB VAL 84 HB VAL 84 -6.852 0.395 -10.257 614 1HG1 VAL 84 1HG1 VAL 84 -9.232 0.133 -9.739 615 2HG1 VAL 84 2HG1 VAL 84 -8.710 -1.147 -10.830 616 3HG1 VAL 84 3HG1 VAL 84 -8.937 -1.514 -9.113 617 1HG2 VAL 84 1HG2 VAL 84 -5.970 0.475 -7.957 618 2HG2 VAL 84 2HG2 VAL 84 -7.587 1.161 -8.115 619 3HG2 VAL 84 3HG2 VAL 84 -7.383 -0.449 -7.393 620 H LYS 85 H LYS 85 -4.188 -0.821 -8.353 621 HA LYS 85 HA LYS 85 -2.265 -0.690 -10.511 622 1HB LYS 85 1HB LYS 85 -1.895 1.679 -10.543 623 2HB LYS 85 2HB LYS 85 -3.563 1.336 -10.962 624 1HG LYS 85 1HG LYS 85 -4.084 1.894 -8.442 625 2HG LYS 85 2HG LYS 85 -2.473 2.619 -8.444 626 1HD LYS 85 1HD LYS 85 -4.910 3.397 -10.106 627 2HD LYS 85 2HD LYS 85 -4.043 4.382 -8.914 628 1HE LYS 85 1HE LYS 85 -2.037 4.368 -10.422 629 2HE LYS 85 2HE LYS 85 -2.966 3.439 -11.609 630 1HZ LYS 85 1HZ LYS 85 -3.621 6.198 -10.719 631 2HZ LYS 85 2HZ LYS 85 -2.887 5.783 -12.098 632 3HZ LYS 85 3HZ LYS 85 -4.503 5.376 -11.781 633 H GLN 86 H GLN 86 -0.166 0.248 -9.763 634 HA GLN 86 HA GLN 86 0.414 -0.424 -6.952 635 1HB GLN 86 1HB GLN 86 0.741 -2.464 -8.225 636 2HB GLN 86 2HB GLN 86 1.567 -1.593 -9.516 637 1HG GLN 86 1HG GLN 86 3.477 -1.125 -7.984 638 2HG GLN 86 2HG GLN 86 2.700 -2.067 -6.722 639 1HE2 GLN 86 1HE2 GLN 86 2.356 -4.474 -7.220 640 2HE2 GLN 86 2HE2 GLN 86 3.494 -5.196 -8.348 641 H LEU 87 H LEU 87 2.251 0.627 -6.138 642 HA LEU 87 HA LEU 87 4.015 2.111 -7.976 643 1HB LEU 87 1HB LEU 87 3.051 3.012 -5.215 644 2HB LEU 87 2HB LEU 87 4.605 3.487 -5.835 645 HG LEU 87 HG LEU 87 3.182 5.275 -6.174 646 1HD1 LEU 87 1HD1 LEU 87 3.347 3.979 -8.906 647 2HD1 LEU 87 2HD1 LEU 87 3.438 5.704 -8.481 648 3HD1 LEU 87 3HD1 LEU 87 4.762 4.611 -8.029 649 1HD2 LEU 87 1HD2 LEU 87 1.230 3.548 -7.741 650 2HD2 LEU 87 2HD2 LEU 87 0.998 4.089 -6.063 651 3HD2 LEU 87 3HD2 LEU 87 1.109 5.274 -7.385 652 H ILE 88 H ILE 88 6.207 2.021 -7.312 653 HA ILE 88 HA ILE 88 6.991 0.316 -5.107 654 HB ILE 88 HB ILE 88 8.725 -0.742 -6.693 655 1HG1 ILE 88 1HG1 ILE 88 6.645 0.012 -8.813 656 2HG1 ILE 88 2HG1 ILE 88 8.313 0.589 -8.722 657 1HG2 ILE 88 1HG2 ILE 88 5.833 -1.642 -6.950 658 2HG2 ILE 88 2HG2 ILE 88 7.279 -2.655 -7.098 659 3HG2 ILE 88 3HG2 ILE 88 6.902 -1.927 -5.549 660 1HD1 ILE 88 1HD1 ILE 88 9.063 -1.815 -9.011 661 2HD1 ILE 88 2HD1 ILE 88 7.355 -2.237 -9.314 662 3HD1 ILE 88 3HD1 ILE 88 8.187 -1.120 -10.398 663 H GLY 89 H GLY 89 8.749 1.199 -4.161 664 1HA GLY 89 1HA GLY 89 10.840 2.371 -4.139 665 2HA GLY 89 2HA GLY 89 10.395 3.219 -5.627 666 H TYR 90 H TYR 90 11.399 4.731 -3.682 667 HA TYR 90 HA TYR 90 9.365 5.822 -1.885 668 1HB TYR 90 1HB TYR 90 11.647 5.537 -1.108 669 2HB TYR 90 2HB TYR 90 12.249 6.547 -2.407 670 HD1 TYR 90 1HD TYR 90 12.180 8.984 -2.246 671 HD2 TYR 90 2HD TYR 90 10.387 6.532 0.803 672 HE1 TYR 90 1HE TYR 90 11.991 10.959 -0.788 673 HE2 TYR 90 2HE TYR 90 10.171 8.517 2.281 674 HH TYR 90 HH TYR 90 11.308 11.763 1.303 675 H GLN 91 H GLN 91 7.831 6.494 -3.551 676 HA GLN 91 HA GLN 91 8.662 8.715 -5.297 677 1HB GLN 91 1HB GLN 91 5.788 7.835 -4.968 678 2HB GLN 91 2HB GLN 91 6.575 8.579 -6.331 679 1HG GLN 91 1HG GLN 91 6.915 5.690 -5.438 680 2HG GLN 91 2HG GLN 91 6.093 6.277 -6.874 681 1HE2 GLN 91 1HE2 GLN 91 7.456 7.343 -8.616 682 2HE2 GLN 91 2HE2 GLN 91 9.140 6.840 -8.699 683 HA PRO 92 HA PRO 92 7.392 11.568 -2.037 684 1HB PRO 92 1HB PRO 92 7.293 13.946 -3.400 685 2HB PRO 92 2HB PRO 92 8.829 13.137 -2.956 686 1HG PRO 92 1HG PRO 92 7.362 13.027 -5.601 687 2HG PRO 92 2HG PRO 92 9.103 13.331 -5.317 688 1HD PRO 92 1HD PRO 92 8.150 10.854 -5.982 689 2HD PRO 92 2HD PRO 92 9.525 11.053 -4.854 690 H LYS 93 H LYS 93 5.460 12.904 -1.515 691 HA LYS 93 HA LYS 93 3.070 11.591 -2.243 692 1HB LYS 93 1HB LYS 93 3.881 13.969 -0.603 693 2HB LYS 93 2HB LYS 93 2.262 14.016 -1.251 694 1HG LYS 93 1HG LYS 93 2.159 12.927 0.929 695 2HG LYS 93 2HG LYS 93 1.804 11.743 -0.320 696 1HD LYS 93 1HD LYS 93 3.268 10.615 1.179 697 2HD LYS 93 2HD LYS 93 4.267 11.010 -0.198 698 1HE LYS 93 1HE LYS 93 5.605 11.631 1.617 699 2HE LYS 93 2HE LYS 93 4.906 13.184 1.136 700 1HZ LYS 93 1HZ LYS 93 4.763 12.717 3.589 701 2HZ LYS 93 2HZ LYS 93 3.277 12.917 2.900 702 3HZ LYS 93 3HZ LYS 93 3.869 11.415 3.275 703 H GLU 94 H GLU 94 4.344 14.696 -3.425 704 HA GLU 94 HA GLU 94 2.189 15.304 -5.113 705 1HB GLU 94 1HB GLU 94 4.099 16.782 -4.437 706 2HB GLU 94 2HB GLU 94 5.186 15.842 -5.464 707 1HG GLU 94 1HG GLU 94 3.949 16.608 -7.476 708 2HG GLU 94 2HG GLU 94 2.819 17.500 -6.443 709 H GLN 95 H GLN 95 4.463 12.636 -5.549 710 HA GLN 95 HA GLN 95 3.864 12.489 -8.449 711 1HB GLN 95 1HB GLN 95 6.238 12.249 -7.488 712 2HB GLN 95 2HB GLN 95 5.723 10.774 -6.725 713 1HG GLN 95 1HG GLN 95 6.891 10.310 -8.833 714 2HG GLN 95 2HG GLN 95 5.230 9.726 -8.866 715 1HE2 GLN 95 1HE2 GLN 95 6.520 13.105 -9.489 716 2HE2 GLN 95 2HE2 GLN 95 5.860 13.131 -11.115 717 H LEU 96 H LEU 96 3.879 10.680 -5.446 718 HA LEU 96 HA LEU 96 2.338 8.404 -6.281 719 1HB LEU 96 1HB LEU 96 3.772 8.841 -4.188 720 2HB LEU 96 2HB LEU 96 2.294 9.455 -3.488 721 HG LEU 96 HG LEU 96 2.103 6.791 -4.878 722 1HD1 LEU 96 1HD1 LEU 96 2.991 5.559 -2.947 723 2HD1 LEU 96 2HD1 LEU 96 4.235 6.539 -3.722 724 3HD1 LEU 96 3HD1 LEU 96 3.498 7.095 -2.197 725 1HD2 LEU 96 1HD2 LEU 96 1.061 7.697 -2.170 726 2HD2 LEU 96 2HD2 LEU 96 0.168 7.851 -3.700 727 3HD2 LEU 96 3HD2 LEU 96 0.588 6.244 -3.075 728 H GLU 97 H GLU 97 1.120 11.326 -4.517 729 HA GLU 97 HA GLU 97 -1.586 10.448 -4.829 730 1HB GLU 97 1HB GLU 97 -0.524 12.026 -3.080 731 2HB GLU 97 2HB GLU 97 -0.711 13.302 -4.289 732 1HG GLU 97 1HG GLU 97 -3.025 13.291 -4.188 733 2HG GLU 97 2HG GLU 97 -3.117 11.567 -3.809 734 H ALA 98 H ALA 98 0.622 11.963 -7.042 735 HA ALA 98 HA ALA 98 -1.534 13.045 -8.742 736 1HB ALA 98 1HB ALA 98 1.417 12.603 -9.326 737 2HB ALA 98 2HB ALA 98 0.242 13.299 -10.453 738 3HB ALA 98 3HB ALA 98 0.601 14.135 -8.940 739 H GLN 99 H GLN 99 0.729 10.236 -8.830 740 HA GLN 99 HA GLN 99 -0.377 8.878 -11.032 741 1HB GLN 99 1HB GLN 99 1.728 8.259 -9.848 742 2HB GLN 99 2HB GLN 99 0.808 7.738 -8.452 743 1HG GLN 99 1HG GLN 99 1.599 5.871 -9.929 744 2HG GLN 99 2HG GLN 99 -0.117 5.871 -9.557 745 1HE2 GLN 99 1HE2 GLN 99 2.028 7.351 -12.132 746 2HE2 GLN 99 2HE2 GLN 99 0.967 6.834 -13.436 747 H LEU 100 H LEU 100 -1.296 8.790 -7.612 748 HA LEU 100 HA LEU 100 -3.469 6.901 -8.030 749 1HB LEU 100 1HB LEU 100 -1.788 7.875 -5.886 750 2HB LEU 100 2HB LEU 100 -3.427 8.104 -5.425 751 HG LEU 100 HG LEU 100 -3.801 5.628 -5.945 752 1HD1 LEU 100 1HD1 LEU 100 -1.963 5.320 -7.595 753 2HD1 LEU 100 2HD1 LEU 100 -0.787 5.738 -6.332 754 3HD1 LEU 100 3HD1 LEU 100 -1.727 4.232 -6.222 755 1HD2 LEU 100 1HD2 LEU 100 -1.751 6.633 -3.952 756 2HD2 LEU 100 2HD2 LEU 100 -3.430 6.098 -3.669 757 3HD2 LEU 100 3HD2 LEU 100 -2.129 4.933 -3.998 758 H ALA 101 H ALA 101 -3.388 10.183 -8.711 759 HA ALA 101 HA ALA 101 -5.490 11.273 -7.243 760 1HB ALA 101 1HB ALA 101 -5.669 12.922 -9.091 761 2HB ALA 101 2HB ALA 101 -3.978 12.619 -8.665 762 3HB ALA 101 3HB ALA 101 -4.673 11.881 -10.126 763 H ASP 102 H ASP 102 -5.690 9.093 -10.057 764 HA ASP 102 HA ASP 102 -8.423 9.694 -10.752 765 1HB ASP 102 1HB ASP 102 -8.134 7.572 -12.117 766 2HB ASP 102 2HB ASP 102 -6.820 8.713 -12.383 767 H VAL 103 H VAL 103 -7.051 7.877 -8.098 768 HA VAL 103 HA VAL 103 -9.747 6.947 -7.413 769 HB VAL 103 HB VAL 103 -8.316 5.106 -6.292 770 1HG1 VAL 103 1HG1 VAL 103 -9.931 4.773 -8.176 771 2HG1 VAL 103 2HG1 VAL 103 -8.609 5.063 -9.312 772 3HG1 VAL 103 3HG1 VAL 103 -8.549 3.655 -8.240 773 1HG2 VAL 103 1HG2 VAL 103 -6.340 4.364 -7.551 774 2HG2 VAL 103 2HG2 VAL 103 -6.323 5.859 -8.453 775 3HG2 VAL 103 3HG2 VAL 103 -6.069 5.902 -6.695 776 H LEU 104 H LEU 104 -7.759 9.376 -6.757 777 HA LEU 104 HA LEU 104 -8.762 9.461 -3.995 778 1HB LEU 104 1HB LEU 104 -6.053 10.030 -5.155 779 2HB LEU 104 2HB LEU 104 -6.658 11.222 -4.076 780 HG LEU 104 HG LEU 104 -5.291 9.791 -2.797 781 1HD1 LEU 104 1HD1 LEU 104 -6.747 8.931 -1.075 782 2HD1 LEU 104 2HD1 LEU 104 -7.466 10.429 -1.727 783 3HD1 LEU 104 3HD1 LEU 104 -8.113 8.837 -2.178 784 1HD2 LEU 104 1HD2 LEU 104 -5.381 7.801 -4.360 785 2HD2 LEU 104 2HD2 LEU 104 -5.398 7.425 -2.621 786 3HD2 LEU 104 3HD2 LEU 104 -6.891 7.334 -3.566 787 H GLN 105 H GLN 105 -9.041 10.799 -7.067 788 HA GLN 105 HA GLN 105 -9.876 13.430 -6.595 789 1HB GLN 105 2HB GLN 105 -9.518 12.400 -8.812 790 2HB GLN 105 3HB GLN 105 -10.876 11.332 -8.520 791 1HG GLN 105 2HG GLN 105 -12.380 13.361 -8.360 792 2HG GLN 105 3HG GLN 105 -10.976 14.385 -8.671 793 1HE2 GLN 105 1HE2 GLN 105 -13.612 12.976 -10.155 794 2HE2 GLN 105 2HE2 GLN 105 -12.974 12.913 -11.799 Start of MODEL 3 1 1H ALA 1 H ALA 1 -5.407 4.735 7.550 2 2H ALA 1 2HN ALA 1 -4.743 3.820 8.753 3 3H ALA 1 3HN ALA 1 -5.013 3.150 7.269 4 HA ALA 1 HA ALA 1 -7.044 4.082 9.160 5 1HB ALA 1 1HB ALA 1 -7.368 2.804 6.441 6 2HB ALA 1 2HB ALA 1 -8.690 3.152 7.578 7 3HB ALA 1 3HB ALA 1 -7.766 4.487 6.857 8 H THR 2 H THR 2 -6.778 0.994 7.233 9 HA THR 2 HA THR 2 -7.390 -0.549 9.477 10 HB THR 2 HB THR 2 -6.042 -1.604 6.985 11 HG1 THR 2 1HG THR 2 -8.768 -0.945 7.063 12 1HG2 THR 2 1HG2 THR 2 -7.765 -3.379 7.123 13 2HG2 THR 2 2HG2 THR 2 -6.799 -3.303 8.602 14 3HG2 THR 2 3HG2 THR 2 -8.435 -2.618 8.586 15 H MET 3 H MET 3 -4.542 0.808 8.734 16 HA MET 3 HA MET 3 -2.463 0.823 9.728 17 1HB MET 3 1HB MET 3 -4.392 0.774 11.637 18 2HB MET 3 2HB MET 3 -3.476 -0.618 12.160 19 1HG MET 3 1HG MET 3 -2.441 2.214 11.685 20 2HG MET 3 2HG MET 3 -2.822 1.502 13.245 21 1HE MET 3 1HE MET 3 1.007 2.017 13.541 22 2HE MET 3 2HE MET 3 -0.160 3.073 12.715 23 3HE MET 3 3HE MET 3 -0.590 2.308 14.263 24 H THR 4 H THR 4 -1.730 -1.427 11.725 25 HA THR 4 HA THR 4 -0.091 -2.849 9.829 26 HB THR 4 HB THR 4 -0.421 -3.383 12.777 27 HG1 THR 4 1HG THR 4 0.273 -1.321 12.488 28 1HG2 THR 4 1HG2 THR 4 1.809 -4.084 10.803 29 2HG2 THR 4 2HG2 THR 4 1.873 -4.335 12.563 30 3HG2 THR 4 3HG2 THR 4 0.710 -5.241 11.582 31 H LEU 5 H LEU 5 -0.596 -4.619 8.737 32 HA LEU 5 HA LEU 5 -3.052 -6.186 9.391 33 1HB LEU 5 1HB LEU 5 -3.599 -4.336 8.014 34 2HB LEU 5 2HB LEU 5 -2.202 -4.545 6.981 35 HG LEU 5 HG LEU 5 -4.127 -6.831 7.030 36 1HD1 LEU 5 1HD1 LEU 5 -4.869 -4.250 5.627 37 2HD1 LEU 5 2HD1 LEU 5 -5.714 -5.803 5.516 38 3HD1 LEU 5 3HD1 LEU 5 -5.685 -4.932 7.053 39 1HD2 LEU 5 1HD2 LEU 5 -3.650 -6.707 4.575 40 2HD2 LEU 5 2HD2 LEU 5 -2.638 -5.295 4.857 41 3HD2 LEU 5 3HD2 LEU 5 -2.187 -6.875 5.552 42 H THR 6 H THR 6 -3.191 -8.239 7.960 43 HA THR 6 HA THR 6 -0.719 -9.533 7.406 44 HB THR 6 HB THR 6 -1.467 -11.397 8.893 45 HG1 THR 6 1HG THR 6 -3.028 -10.922 10.478 46 1HG2 THR 6 1HG2 THR 6 -1.208 -8.881 10.592 47 2HG2 THR 6 2HG2 THR 6 -0.725 -10.536 11.009 48 3HG2 THR 6 3HG2 THR 6 0.162 -9.630 9.769 49 H ASP 7 H ASP 7 -1.410 -11.528 6.358 50 HA ASP 7 HA ASP 7 -2.961 -10.965 4.173 51 1HB ASP 7 1HB ASP 7 -1.314 -12.616 3.955 52 2HB ASP 7 2HB ASP 7 -2.144 -13.711 5.070 53 H ALA 8 H ALA 8 -4.066 -12.890 6.972 54 HA ALA 8 HA ALA 8 -6.624 -13.579 5.951 55 1HB ALA 8 1HB ALA 8 -5.796 -13.061 8.843 56 2HB ALA 8 2HB ALA 8 -7.244 -13.944 8.315 57 3HB ALA 8 3HB ALA 8 -5.634 -14.606 7.972 58 H ASN 9 H ASN 9 -5.448 -10.482 7.085 59 HA ASN 9 HA ASN 9 -8.157 -9.307 7.209 60 1HB ASN 9 1HB ASN 9 -5.414 -8.287 7.920 61 2HB ASN 9 2HB ASN 9 -6.878 -7.330 7.969 62 1HD2 ASN 9 1HD2 ASN 9 -4.873 -9.643 9.759 63 2HD2 ASN 9 2HD2 ASN 9 -6.043 -9.776 11.066 64 H PHE 10 H PHE 10 -5.099 -9.316 5.371 65 HA PHE 10 HA PHE 10 -5.490 -7.306 3.467 66 1HB PHE 10 1HB PHE 10 -3.440 -8.781 3.793 67 2HB PHE 10 2HB PHE 10 -4.331 -10.067 3.005 68 HD1 PHE 10 1HD PHE 10 -2.275 -7.140 2.417 69 HD2 PHE 10 2HD PHE 10 -4.822 -10.127 0.622 70 HE1 PHE 10 1HE PHE 10 -1.200 -6.781 0.242 71 HE2 PHE 10 2HE PHE 10 -3.820 -9.662 -1.553 72 HZ PHE 10 HZ PHE 10 -1.993 -7.997 -1.780 73 H GLN 11 H GLN 11 -6.359 -10.802 3.078 74 HA GLN 11 HA GLN 11 -7.685 -10.429 0.603 75 1HB GLN 11 1HB GLN 11 -8.104 -12.547 2.767 76 2HB GLN 11 2HB GLN 11 -8.782 -12.621 1.135 77 1HG GLN 11 1HG GLN 11 -6.422 -12.494 0.219 78 2HG GLN 11 2HG GLN 11 -5.818 -12.630 1.874 79 1HE2 GLN 11 1HE2 GLN 11 -5.147 -14.784 2.352 80 2HE2 GLN 11 2HE2 GLN 11 -5.973 -16.166 1.645 81 H GLN 12 H GLN 12 -9.067 -10.382 3.913 82 HA GLN 12 HA GLN 12 -11.769 -9.968 2.981 83 1HB GLN 12 1HB GLN 12 -10.468 -9.542 5.716 84 2HB GLN 12 2HB GLN 12 -12.203 -9.402 5.400 85 1HG GLN 12 1HG GLN 12 -12.263 -11.759 4.616 86 2HG GLN 12 2HG GLN 12 -10.549 -11.934 5.007 87 1HE2 GLN 12 1HE2 GLN 12 -9.885 -11.839 7.281 88 2HE2 GLN 12 2HE2 GLN 12 -11.099 -12.106 8.546 89 H ALA 13 H ALA 13 -9.101 -7.682 3.595 90 HA ALA 13 HA ALA 13 -10.821 -5.384 3.350 91 1HB ALA 13 1HB ALA 13 -8.729 -4.136 3.114 92 2HB ALA 13 2HB ALA 13 -8.639 -5.249 4.488 93 3HB ALA 13 3HB ALA 13 -7.803 -5.644 2.973 94 H ILE 14 H ILE 14 -8.434 -6.977 1.146 95 HA ILE 14 HA ILE 14 -8.966 -5.232 -0.985 96 HB ILE 14 HB ILE 14 -7.642 -6.687 -2.369 97 1HG1 ILE 14 1HG1 ILE 14 -6.998 -8.683 -0.297 98 2HG1 ILE 14 2HG1 ILE 14 -8.505 -8.911 -1.196 99 1HG2 ILE 14 1HG2 ILE 14 -5.537 -6.509 -1.187 100 2HG2 ILE 14 2HG2 ILE 14 -6.552 -5.134 -0.718 101 3HG2 ILE 14 3HG2 ILE 14 -6.349 -6.494 0.381 102 1HD1 ILE 14 1HD1 ILE 14 -7.264 -8.850 -3.319 103 2HD1 ILE 14 2HD1 ILE 14 -5.748 -8.558 -2.446 104 3HD1 ILE 14 3HD1 ILE 14 -6.612 -10.097 -2.239 105 H GLN 15 H GLN 15 -10.719 -8.079 -0.138 106 HA GLN 15 HA GLN 15 -12.065 -8.486 -2.631 107 1HB GLN 15 1HB GLN 15 -13.688 -9.767 -1.363 108 2HB GLN 15 2HB GLN 15 -12.051 -10.132 -0.843 109 1HG GLN 15 1HG GLN 15 -13.313 -10.096 1.112 110 2HG GLN 15 2HG GLN 15 -12.392 -8.597 1.105 111 1HE2 GLN 15 1HE2 GLN 15 -13.702 -7.322 2.409 112 2HE2 GLN 15 2HE2 GLN 15 -15.385 -6.947 1.987 113 H GLY 16 H GLY 16 -12.409 -5.856 -0.293 114 1HA GLY 16 1HA GLY 16 -15.187 -5.331 -0.800 115 2HA GLY 16 2HA GLY 16 -14.022 -4.318 0.073 116 H ASP 17 H ASP 17 -15.818 -2.998 -1.439 117 HA ASP 17 HA ASP 17 -14.939 -2.555 -4.179 118 1HB ASP 17 1HB ASP 17 -16.872 -1.086 -4.233 119 2HB ASP 17 2HB ASP 17 -17.333 -2.600 -3.450 120 H GLY 18 H GLY 18 -14.377 -1.135 -1.035 121 1HA GLY 18 1HA GLY 18 -13.843 1.536 -1.904 122 2HA GLY 18 2HA GLY 18 -13.429 0.846 -0.329 123 HA PRO 19 HA PRO 19 -9.502 1.270 -3.020 124 1HB PRO 19 1HB PRO 19 -8.535 3.769 -2.132 125 2HB PRO 19 2HB PRO 19 -9.465 3.526 -3.624 126 1HG PRO 19 1HG PRO 19 -10.468 4.332 -0.917 127 2HG PRO 19 2HG PRO 19 -10.908 5.030 -2.504 128 1HD PRO 19 1HD PRO 19 -12.473 3.282 -1.135 129 2HD PRO 19 2HD PRO 19 -12.378 3.230 -2.920 130 H VAL 20 H VAL 20 -8.943 -0.492 -1.675 131 HA VAL 20 HA VAL 20 -7.759 0.017 0.983 132 HB VAL 20 HB VAL 20 -7.838 -2.441 -0.828 133 1HG1 VAL 20 1HG1 VAL 20 -6.992 -3.686 1.198 134 2HG1 VAL 20 2HG1 VAL 20 -5.794 -2.586 0.520 135 3HG1 VAL 20 3HG1 VAL 20 -6.681 -2.127 1.993 136 1HG2 VAL 20 1HG2 VAL 20 -10.006 -1.789 0.262 137 2HG2 VAL 20 2HG2 VAL 20 -9.375 -3.353 0.770 138 3HG2 VAL 20 3HG2 VAL 20 -9.210 -1.957 1.844 139 H LEU 21 H LEU 21 -5.645 0.463 1.266 140 HA LEU 21 HA LEU 21 -3.774 0.084 -1.054 141 1HB LEU 21 1HB LEU 21 -3.720 2.313 1.007 142 2HB LEU 21 2HB LEU 21 -2.354 1.850 0.005 143 HG LEU 21 HG LEU 21 -3.730 2.421 -2.045 144 1HD1 LEU 21 1HD1 LEU 21 -5.614 4.059 -1.623 145 2HD1 LEU 21 2HD1 LEU 21 -6.030 2.434 -1.103 146 3HD1 LEU 21 3HD1 LEU 21 -5.544 3.628 0.102 147 1HD2 LEU 21 1HD2 LEU 21 -2.025 3.934 -1.120 148 2HD2 LEU 21 2HD2 LEU 21 -3.415 4.885 -1.616 149 3HD2 LEU 21 3HD2 LEU 21 -3.149 4.491 0.107 150 H VAL 22 H VAL 22 -2.023 -1.146 -0.565 151 HA VAL 22 HA VAL 22 -1.566 -1.782 2.327 152 HB VAL 22 HB VAL 22 -1.173 -3.616 -0.066 153 1HG1 VAL 22 1HG1 VAL 22 -0.672 -5.290 1.712 154 2HG1 VAL 22 2HG1 VAL 22 0.520 -4.005 1.674 155 3HG1 VAL 22 3HG1 VAL 22 -0.735 -4.006 2.935 156 1HG2 VAL 22 1HG2 VAL 22 -3.232 -3.655 2.195 157 2HG2 VAL 22 2HG2 VAL 22 -3.561 -3.382 0.470 158 3HG2 VAL 22 3HG2 VAL 22 -2.990 -4.954 1.007 159 H ASP 23 H ASP 23 0.167 -0.799 3.023 160 HA ASP 23 HA ASP 23 2.532 -0.222 1.372 161 1HB ASP 23 1HB ASP 23 1.916 1.046 3.456 162 2HB ASP 23 2HB ASP 23 2.201 -0.362 4.377 163 H PHE 24 H PHE 24 3.566 -1.961 0.563 164 HA PHE 24 HA PHE 24 4.141 -4.306 2.304 165 1HB PHE 24 1HB PHE 24 4.786 -3.687 -0.579 166 2HB PHE 24 2HB PHE 24 5.299 -5.130 0.273 167 HD1 PHE 24 1HD PHE 24 2.777 -3.893 -1.903 168 HD2 PHE 24 2HD PHE 24 3.420 -6.464 1.486 169 HE1 PHE 24 1HE PHE 24 0.959 -5.374 -2.690 170 HE2 PHE 24 2HE PHE 24 1.597 -7.963 0.699 171 HZ PHE 24 HZ PHE 24 0.493 -7.521 -1.407 172 H TRP 25 H TRP 25 5.677 -3.835 3.692 173 HA TRP 25 HA TRP 25 8.200 -2.649 2.727 174 1HB TRP 25 1HB TRP 25 8.512 -1.410 4.747 175 2HB TRP 25 2HB TRP 25 6.940 -0.942 4.118 176 HD1 TRP 25 HD TRP 25 4.794 -2.178 5.373 177 HE1 TRP 25 1HE TRP 25 4.473 -2.994 7.770 178 HE3 TRP 25 3HE TRP 25 9.655 -1.931 6.945 179 HZ2 TRP 25 2HZ TRP 25 6.175 -3.604 10.085 180 HZ3 TRP 25 3HZ TRP 25 10.268 -2.603 9.242 181 HH2 TRP 25 HH TRP 25 8.545 -3.471 10.805 182 H ALA 26 H ALA 26 9.866 -3.361 4.783 183 HA ALA 26 HA ALA 26 9.005 -5.697 6.172 184 1HB ALA 26 1HB ALA 26 11.311 -5.952 4.183 185 2HB ALA 26 2HB ALA 26 10.843 -7.161 5.390 186 3HB ALA 26 3HB ALA 26 9.746 -6.789 4.055 187 H ALA 27 H ALA 27 10.523 -6.168 7.872 188 HA ALA 27 HA ALA 27 12.027 -4.061 8.936 189 1HB ALA 27 1HB ALA 27 11.198 -5.992 10.212 190 2HB ALA 27 2HB ALA 27 12.378 -7.048 9.399 191 3HB ALA 27 3HB ALA 27 12.935 -5.746 10.476 192 H TRP 28 H TRP 28 13.034 -6.083 6.278 193 HA TRP 28 HA TRP 28 15.873 -5.527 6.742 194 1HB TRP 28 1HB TRP 28 16.208 -7.383 5.711 195 2HB TRP 28 2HB TRP 28 14.499 -7.568 5.452 196 HD1 TRP 28 HD TRP 28 17.639 -6.167 3.760 197 HE1 TRP 28 1HE TRP 28 17.328 -6.026 1.229 198 HE3 TRP 28 3HE TRP 28 12.804 -7.847 3.440 199 HZ2 TRP 28 2HZ TRP 28 15.141 -6.255 -0.657 200 HZ3 TRP 28 3HZ TRP 28 11.627 -7.854 1.281 201 HH2 TRP 28 HH TRP 28 12.768 -6.944 -0.761 202 H CYS 29 H CYS 29 13.239 -4.068 4.803 203 HA CYS 29 HA CYS 29 15.056 -3.204 2.719 204 1HB CYS 29 1HB CYS 29 13.155 -1.938 1.814 205 2HB CYS 29 2HB CYS 29 12.876 -3.647 2.068 206 H GLY 30 H GLY 30 15.423 -0.908 2.142 207 1HA GLY 30 1HA GLY 30 16.158 0.682 4.520 208 2HA GLY 30 2HA GLY 30 16.790 0.863 2.890 209 HA PRO 31 HA PRO 31 14.342 4.394 2.238 210 1HB PRO 31 1HB PRO 31 13.307 4.193 -0.309 211 2HB PRO 31 2HB PRO 31 15.038 4.480 0.059 212 1HG PRO 31 1HG PRO 31 13.664 1.854 -0.577 213 2HG PRO 31 2HG PRO 31 15.176 2.508 -1.286 214 1HD PRO 31 1HD PRO 31 15.252 0.709 0.721 215 2HD PRO 31 2HD PRO 31 16.392 2.089 0.717 216 H CYS 32 H CYS 32 12.622 1.417 2.047 217 HA CYS 32 HA CYS 32 9.925 2.324 2.056 218 1HB CYS 32 1HB CYS 32 9.443 0.250 3.229 219 2HB CYS 32 2HB CYS 32 10.585 -0.038 1.922 220 H ARG 33 H ARG 33 12.421 2.394 4.646 221 HA ARG 33 HA ARG 33 10.546 3.197 6.684 222 1HB ARG 33 1HB ARG 33 12.789 2.054 6.978 223 2HB ARG 33 2HB ARG 33 13.546 3.620 6.657 224 1HG ARG 33 1HG ARG 33 12.478 4.591 8.635 225 2HG ARG 33 2HG ARG 33 11.487 3.132 8.858 226 1HD ARG 33 1HD ARG 33 13.533 1.803 9.262 227 2HD ARG 33 2HD ARG 33 14.523 3.269 9.063 228 HE ARG 33 HE ARG 33 12.593 3.856 10.993 229 1HH1 ARG 33 2HH2 ARG 33 15.297 1.615 10.685 230 2HH1 ARG 33 1HH2 ARG 33 15.640 1.518 12.379 231 1HH2 ARG 33 2HH1 ARG 33 13.007 3.751 13.267 232 2HH2 ARG 33 1HH1 ARG 33 14.290 2.775 13.878 233 H MET 34 H MET 34 11.871 4.955 4.007 234 HA MET 34 HA MET 34 11.281 7.554 5.257 235 1HB MET 34 1HB MET 34 12.585 6.775 2.611 236 2HB MET 34 2HB MET 34 12.204 8.431 3.085 237 1HG MET 34 1HG MET 34 13.617 8.132 5.129 238 2HG MET 34 2HG MET 34 14.111 6.550 4.524 239 1HE MET 34 1HE MET 34 14.565 6.944 1.415 240 2HE MET 34 2HE MET 34 16.268 7.448 1.382 241 3HE MET 34 3HE MET 34 15.752 6.162 2.493 242 H MET 35 H MET 35 9.877 5.097 3.273 243 HA MET 35 HA MET 35 7.954 6.856 1.956 244 1HB MET 35 1HB MET 35 8.961 4.507 1.080 245 2HB MET 35 2HB MET 35 7.611 3.866 2.028 246 1HG MET 35 1HG MET 35 6.254 5.776 0.734 247 2HG MET 35 2HG MET 35 7.599 5.683 -0.388 248 1HE MET 35 1HE MET 35 4.919 3.821 -2.461 249 2HE MET 35 2HE MET 35 4.915 5.376 -1.591 250 3HE MET 35 3HE MET 35 6.333 4.894 -2.552 251 H ALA 36 H ALA 36 8.122 4.459 4.650 252 HA ALA 36 HA ALA 36 5.515 4.427 5.481 253 1HB ALA 36 1HB ALA 36 8.025 4.450 7.202 254 2HB ALA 36 2HB ALA 36 6.402 3.977 7.754 255 3HB ALA 36 3HB ALA 36 7.214 3.048 6.480 256 HA PRO 37 HA PRO 37 5.667 8.517 7.921 257 1HB PRO 37 1HB PRO 37 7.619 10.399 7.426 258 2HB PRO 37 2HB PRO 37 7.707 9.168 8.722 259 1HG PRO 37 1HG PRO 37 8.937 9.068 5.963 260 2HG PRO 37 2HG PRO 37 9.708 8.676 7.532 261 1HD PRO 37 1HD PRO 37 8.729 6.719 5.944 262 2HD PRO 37 2HD PRO 37 8.537 6.634 7.715 263 H VAL 38 H VAL 38 6.837 8.466 4.462 264 HA VAL 38 HA VAL 38 5.288 10.809 3.770 265 HB VAL 38 HB VAL 38 7.018 8.917 2.471 266 1HG1 VAL 38 1HG1 VAL 38 4.577 9.607 0.807 267 2HG1 VAL 38 2HG1 VAL 38 6.102 8.913 0.207 268 3HG1 VAL 38 3HG1 VAL 38 5.094 7.980 1.312 269 1HG2 VAL 38 1HG2 VAL 38 5.997 11.656 1.669 270 2HG2 VAL 38 2HG2 VAL 38 7.426 11.303 2.662 271 3HG2 VAL 38 3HG2 VAL 38 7.402 10.820 0.962 272 H LEU 39 H LEU 39 4.610 7.340 3.980 273 HA LEU 39 HA LEU 39 1.933 7.408 3.063 274 1HB LEU 39 1HB LEU 39 3.780 5.472 4.348 275 2HB LEU 39 2HB LEU 39 2.094 5.239 4.756 276 HG LEU 39 HG LEU 39 1.464 5.065 2.413 277 1HD1 LEU 39 1HD1 LEU 39 4.427 5.403 1.815 278 2HD1 LEU 39 2HD1 LEU 39 3.217 4.863 0.643 279 3HD1 LEU 39 3HD1 LEU 39 3.133 6.506 1.304 280 1HD2 LEU 39 1HD2 LEU 39 3.880 3.334 3.110 281 2HD2 LEU 39 2HD2 LEU 39 2.241 3.129 3.758 282 3HD2 LEU 39 3HD2 LEU 39 2.550 2.900 2.021 283 H GLU 40 H GLU 40 3.367 8.050 6.253 284 HA GLU 40 HA GLU 40 0.871 7.975 7.681 285 1HB GLU 40 1HB GLU 40 3.171 7.825 8.662 286 2HB GLU 40 2HB GLU 40 3.393 9.552 8.359 287 1HG GLU 40 1HG GLU 40 1.646 10.132 9.909 288 2HG GLU 40 2HG GLU 40 1.055 8.466 9.975 289 H GLU 41 H GLU 41 2.753 10.635 6.153 290 HA GLU 41 HA GLU 41 0.794 12.682 6.547 291 1HB GLU 41 1HB GLU 41 3.224 12.945 5.864 292 2HB GLU 41 2HB GLU 41 2.769 12.413 4.245 293 1HG GLU 41 1HG GLU 41 1.088 14.361 4.227 294 2HG GLU 41 2HG GLU 41 1.842 14.915 5.722 295 H PHE 42 H PHE 42 1.260 10.329 3.878 296 HA PHE 42 HA PHE 42 -0.971 11.077 2.255 297 1HB PHE 42 1HB PHE 42 0.945 9.423 1.734 298 2HB PHE 42 2HB PHE 42 0.058 8.262 2.704 299 HD1 PHE 42 1HD PHE 42 0.066 10.163 -0.489 300 HD2 PHE 42 2HD PHE 42 -1.951 7.187 1.908 301 HE1 PHE 42 1HE PHE 42 -1.268 9.488 -2.450 302 HE2 PHE 42 2HE PHE 42 -3.346 6.597 -0.058 303 HZ PHE 42 HZ PHE 42 -2.958 7.694 -2.252 304 H ALA 43 H ALA 43 -0.836 8.663 4.956 305 HA ALA 43 HA ALA 43 -3.535 7.952 4.837 306 1HB ALA 43 1HB ALA 43 -1.687 8.048 7.258 307 2HB ALA 43 2HB ALA 43 -3.230 7.179 7.167 308 3HB ALA 43 3HB ALA 43 -1.874 6.685 6.131 309 H GLU 44 H GLU 44 -1.963 10.544 6.770 310 HA GLU 44 HA GLU 44 -4.311 11.495 8.016 311 1HB GLU 44 1HB GLU 44 -2.016 12.109 8.676 312 2HB GLU 44 2HB GLU 44 -1.826 13.056 7.191 313 1HG GLU 44 1HG GLU 44 -3.667 14.555 7.894 314 2HG GLU 44 2HG GLU 44 -3.949 13.560 9.327 315 H ALA 45 H ALA 45 -2.793 12.565 4.942 316 HA ALA 45 HA ALA 45 -4.393 14.751 4.465 317 1HB ALA 45 1HB ALA 45 -3.654 14.573 2.106 318 2HB ALA 45 2HB ALA 45 -2.325 14.248 3.238 319 3HB ALA 45 3HB ALA 45 -3.133 12.899 2.399 320 H HIS 46 H HIS 46 -5.400 11.472 3.959 321 HA HIS 46 HA HIS 46 -8.119 12.327 3.300 322 1HB HIS 46 1HB HIS 46 -8.066 10.662 1.298 323 2HB HIS 46 2HB HIS 46 -7.484 12.314 1.098 324 HD1 HIS 46 1HD HIS 46 -5.306 12.273 -0.540 325 HD2 HIS 46 2HD HIS 46 -5.554 9.138 2.357 326 HE1 HIS 46 1HE HIS 46 -3.369 10.793 -0.887 327 HE2 HIS 46 2HE HIS 46 -3.438 8.937 0.854 328 H ALA 47 H ALA 47 -7.379 11.341 5.634 329 HA ALA 47 HA ALA 47 -7.102 8.596 5.986 330 1HB ALA 47 1HB ALA 47 -6.704 10.348 7.717 331 2HB ALA 47 2HB ALA 47 -8.459 10.597 7.852 332 3HB ALA 47 3HB ALA 47 -7.741 9.040 8.320 333 H ASP 48 H ASP 48 -10.002 10.224 5.020 334 HA ASP 48 HA ASP 48 -11.830 8.149 5.973 335 1HB ASP 48 1HB ASP 48 -13.526 9.791 5.270 336 2HB ASP 48 2HB ASP 48 -12.363 10.556 6.347 337 H LYS 49 H LYS 49 -10.871 9.801 2.955 338 HA LYS 49 HA LYS 49 -12.612 8.299 1.326 339 1HB LYS 49 1HB LYS 49 -11.606 10.480 0.732 340 2HB LYS 49 2HB LYS 49 -10.034 9.697 0.490 341 1HG LYS 49 1HG LYS 49 -10.866 8.411 -1.379 342 2HG LYS 49 2HG LYS 49 -12.535 8.906 -1.071 343 1HD LYS 49 1HD LYS 49 -10.307 10.842 -1.839 344 2HD LYS 49 2HD LYS 49 -11.348 10.015 -3.009 345 1HE LYS 49 1HE LYS 49 -13.350 11.007 -1.775 346 2HE LYS 49 2HE LYS 49 -12.189 12.017 -0.882 347 1HZ LYS 49 1HZ LYS 49 -12.981 13.211 -2.854 348 2HZ LYS 49 2HZ LYS 49 -11.403 12.782 -3.125 349 3HZ LYS 49 3HZ LYS 49 -12.582 11.970 -3.837 350 H VAL 50 H VAL 50 -9.516 7.259 2.600 351 HA VAL 50 HA VAL 50 -9.656 4.857 0.866 352 HB VAL 50 HB VAL 50 -7.305 4.955 0.308 353 1HG1 VAL 50 1HG1 VAL 50 -7.319 6.644 -1.390 354 2HG1 VAL 50 2HG1 VAL 50 -8.963 6.030 -1.252 355 3HG1 VAL 50 3HG1 VAL 50 -8.566 7.587 -0.531 356 1HG2 VAL 50 1HG2 VAL 50 -5.908 6.932 0.633 357 2HG2 VAL 50 2HG2 VAL 50 -7.234 7.757 1.478 358 3HG2 VAL 50 3HG2 VAL 50 -6.452 6.345 2.212 359 H THR 51 H THR 51 -8.624 2.923 1.695 360 HA THR 51 HA THR 51 -8.142 3.230 4.541 361 HB THR 51 HB THR 51 -10.248 2.219 4.026 362 HG1 THR 51 1HG THR 51 -8.603 0.410 5.444 363 1HG2 THR 51 1HG2 THR 51 -9.610 0.802 2.106 364 2HG2 THR 51 2HG2 THR 51 -8.692 -0.242 3.228 365 3HG2 THR 51 3HG2 THR 51 -10.451 -0.073 3.402 366 H VAL 52 H VAL 52 -6.081 3.719 4.316 367 HA VAL 52 HA VAL 52 -4.150 1.970 3.037 368 HB VAL 52 HB VAL 52 -3.370 3.917 5.131 369 1HG1 VAL 52 1HG1 VAL 52 -1.616 2.549 4.065 370 2HG1 VAL 52 2HG1 VAL 52 -2.086 3.181 2.475 371 3HG1 VAL 52 3HG1 VAL 52 -1.402 4.263 3.703 372 1HG2 VAL 52 1HG2 VAL 52 -4.904 5.316 3.858 373 2HG2 VAL 52 2HG2 VAL 52 -3.257 5.755 3.417 374 3HG2 VAL 52 3HG2 VAL 52 -4.216 4.734 2.323 375 H ALA 53 H ALA 53 -2.898 0.410 3.913 376 HA ALA 53 HA ALA 53 -2.967 -0.175 6.801 377 1HB ALA 53 1HB ALA 53 -3.292 -2.520 6.344 378 2HB ALA 53 2HB ALA 53 -4.591 -1.677 5.475 379 3HB ALA 53 3HB ALA 53 -3.179 -2.273 4.590 380 H LYS 54 H LYS 54 -1.074 -1.694 7.271 381 HA LYS 54 HA LYS 54 0.977 -1.690 5.176 382 1HB LYS 54 1HB LYS 54 2.760 -0.920 6.635 383 2HB LYS 54 2HB LYS 54 1.510 0.316 6.501 384 1HG LYS 54 1HG LYS 54 0.639 -0.320 8.745 385 2HG LYS 54 2HG LYS 54 1.912 -1.557 8.875 386 1HD LYS 54 1HD LYS 54 3.651 0.214 8.629 387 2HD LYS 54 2HD LYS 54 2.387 1.431 8.474 388 1HE LYS 54 1HE LYS 54 3.277 1.522 10.694 389 2HE LYS 54 2HE LYS 54 1.606 0.951 10.777 390 1HZ LYS 54 1HZ LYS 54 2.329 -1.207 11.261 391 2HZ LYS 54 2HZ LYS 54 3.897 -0.906 10.788 392 3HZ LYS 54 3HZ LYS 54 3.283 -0.251 12.169 393 H LEU 55 H LEU 55 2.377 -3.346 5.140 394 HA LEU 55 HA LEU 55 2.227 -5.255 7.395 395 1HB LEU 55 1HB LEU 55 1.421 -7.089 6.239 396 2HB LEU 55 2HB LEU 55 0.341 -5.759 5.905 397 HG LEU 55 HG LEU 55 1.612 -5.546 3.622 398 1HD1 LEU 55 1HD1 LEU 55 3.472 -7.032 3.883 399 2HD1 LEU 55 2HD1 LEU 55 2.467 -8.308 4.597 400 3HD1 LEU 55 3HD1 LEU 55 2.337 -7.933 2.883 401 1HD2 LEU 55 1HD2 LEU 55 -0.696 -6.287 3.870 402 2HD2 LEU 55 2HD2 LEU 55 0.120 -7.311 2.681 403 3HD2 LEU 55 3HD2 LEU 55 -0.173 -7.925 4.321 404 H ASN 56 H ASN 56 3.896 -6.634 7.619 405 HA ASN 56 HA ASN 56 6.411 -5.849 6.318 406 1HB ASN 56 1HB ASN 56 6.376 -6.033 8.756 407 2HB ASN 56 2HB ASN 56 5.704 -7.663 8.681 408 1HD2 ASN 56 1HD2 ASN 56 7.095 -9.421 8.028 409 2HD2 ASN 56 2HD2 ASN 56 8.842 -9.238 8.094 410 H VAL 57 H VAL 57 6.469 -6.742 4.302 411 HA VAL 57 HA VAL 57 4.823 -8.854 3.549 412 HB VAL 57 HB VAL 57 5.761 -6.899 2.286 413 1HG1 VAL 57 1HG1 VAL 57 7.711 -7.381 0.794 414 2HG1 VAL 57 2HG1 VAL 57 8.164 -7.296 2.510 415 3HG1 VAL 57 3HG1 VAL 57 8.030 -8.861 1.689 416 1HG2 VAL 57 1HG2 VAL 57 5.775 -9.418 0.673 417 2HG2 VAL 57 2HG2 VAL 57 4.281 -8.698 1.321 418 3HG2 VAL 57 3HG2 VAL 57 5.285 -7.785 0.197 419 H ASP 58 H ASP 58 8.203 -9.034 4.632 420 HA ASP 58 HA ASP 58 8.952 -11.565 3.878 421 1HB ASP 58 1HB ASP 58 9.514 -9.603 6.103 422 2HB ASP 58 2HB ASP 58 10.325 -11.137 6.030 423 H GLU 59 H GLU 59 6.661 -10.520 6.295 424 HA GLU 59 HA GLU 59 6.760 -13.064 7.858 425 1HB GLU 59 1HB GLU 59 6.729 -11.130 9.240 426 2HB GLU 59 2HB GLU 59 5.549 -10.345 8.226 427 1HG GLU 59 1HG GLU 59 3.899 -12.233 9.039 428 2HG GLU 59 2HG GLU 59 5.076 -12.422 10.333 429 H ASN 60 H ASN 60 4.790 -11.174 5.562 430 HA ASN 60 HA ASN 60 2.627 -13.192 5.716 431 1HB ASN 60 1HB ASN 60 2.728 -10.228 5.810 432 2HB ASN 60 2HB ASN 60 1.536 -10.896 4.716 433 1HD2 ASN 60 1HD2 ASN 60 2.351 -10.488 8.266 434 2HD2 ASN 60 2HD2 ASN 60 0.968 -11.417 8.720 435 HA PRO 61 HA PRO 61 4.464 -13.521 1.494 436 1HB PRO 61 1HB PRO 61 4.867 -16.203 1.374 437 2HB PRO 61 2HB PRO 61 5.978 -15.108 2.242 438 1HG PRO 61 1HG PRO 61 3.688 -16.748 3.406 439 2HG PRO 61 2HG PRO 61 5.387 -16.668 3.979 440 1HD PRO 61 1HD PRO 61 3.436 -15.133 5.109 441 2HD PRO 61 2HD PRO 61 5.090 -14.516 4.868 442 H GLU 62 H GLU 62 1.565 -14.766 3.005 443 HA GLU 62 HA GLU 62 0.577 -16.037 0.598 444 1HB GLU 62 1HB GLU 62 -0.217 -16.617 2.914 445 2HB GLU 62 2HB GLU 62 -0.996 -15.040 2.997 446 1HG GLU 62 1HG GLU 62 -2.549 -16.929 2.386 447 2HG GLU 62 2HG GLU 62 -2.527 -15.626 1.204 448 H THR 63 H THR 63 -0.890 -15.219 -0.766 449 HA THR 63 HA THR 63 -1.545 -13.951 -2.380 450 HB THR 63 HB THR 63 -2.254 -11.682 -0.523 451 HG1 THR 63 1HG THR 63 -3.190 -13.188 0.690 452 1HG2 THR 63 1HG2 THR 63 -2.823 -11.459 -2.909 453 2HG2 THR 63 2HG2 THR 63 -3.573 -13.071 -2.920 454 3HG2 THR 63 3HG2 THR 63 -4.315 -11.767 -1.988 455 H THR 64 H THR 64 0.706 -12.437 -0.362 456 HA THR 64 HA THR 64 2.105 -10.559 -1.976 457 HB THR 64 HB THR 64 2.842 -12.563 0.147 458 HG1 THR 64 1HG THR 64 2.658 -11.026 1.496 459 1HG2 THR 64 1HG2 THR 64 4.769 -10.521 -0.967 460 2HG2 THR 64 2HG2 THR 64 5.006 -11.516 0.485 461 3HG2 THR 64 3HG2 THR 64 4.923 -12.283 -1.099 462 H SER 65 H SER 65 2.731 -14.124 -1.545 463 HA SER 65 HA SER 65 4.433 -14.229 -3.834 464 1HB SER 65 1HB SER 65 4.567 -15.758 -1.874 465 2HB SER 65 2HB SER 65 3.029 -16.495 -2.365 466 HG SER 65 HG SER 65 4.197 -16.733 -4.496 467 H GLN 66 H GLN 66 0.973 -14.029 -3.757 468 HA GLN 66 HA GLN 66 0.629 -15.583 -6.213 469 1HB GLN 66 1HB GLN 66 -1.082 -15.582 -4.427 470 2HB GLN 66 2HB GLN 66 -1.319 -13.854 -4.637 471 1HG GLN 66 1HG GLN 66 -3.090 -15.152 -5.730 472 2HG GLN 66 2HG GLN 66 -2.222 -14.110 -6.847 473 1HE2 GLN 66 1HE2 GLN 66 -0.552 -15.164 -8.297 474 2HE2 GLN 66 2HE2 GLN 66 -0.892 -16.839 -8.777 475 H PHE 67 H PHE 67 0.726 -12.123 -5.154 476 HA PHE 67 HA PHE 67 0.354 -11.294 -7.980 477 1HB PHE 67 1HB PHE 67 0.394 -9.787 -5.365 478 2HB PHE 67 2HB PHE 67 0.379 -8.981 -6.931 479 HD1 PHE 67 1HD PHE 67 -1.676 -10.026 -4.318 480 HD2 PHE 67 2HD PHE 67 -1.522 -9.898 -8.625 481 HE1 PHE 67 1HE PHE 67 -4.164 -10.090 -4.420 482 HE2 PHE 67 2HE PHE 67 -3.998 -9.987 -8.714 483 HZ PHE 67 HZ PHE 67 -5.322 -10.086 -6.610 484 H GLY 68 H GLY 68 2.983 -12.451 -6.458 485 1HA GLY 68 1HA GLY 68 5.211 -12.379 -7.057 486 2HA GLY 68 2HA GLY 68 4.756 -11.315 -8.396 487 H ILE 69 H ILE 69 4.179 -10.707 -4.960 488 HA ILE 69 HA ILE 69 5.061 -7.985 -5.161 489 HB ILE 69 HB ILE 69 4.150 -9.751 -2.883 490 1HG1 ILE 69 1HG1 ILE 69 2.405 -9.630 -4.510 491 2HG1 ILE 69 2HG1 ILE 69 1.946 -8.644 -3.142 492 1HG2 ILE 69 1HG2 ILE 69 3.589 -7.889 -1.582 493 2HG2 ILE 69 2HG2 ILE 69 5.290 -7.738 -2.001 494 3HG2 ILE 69 3HG2 ILE 69 4.089 -6.725 -2.827 495 1HD1 ILE 69 1HD1 ILE 69 2.618 -6.598 -4.436 496 2HD1 ILE 69 2HD1 ILE 69 2.962 -7.642 -5.836 497 3HD1 ILE 69 3HD1 ILE 69 1.321 -7.537 -5.183 498 H MET 70 H MET 70 7.207 -8.271 -5.830 499 HA MET 70 HA MET 70 9.207 -8.767 -3.667 500 1HB MET 70 1HB MET 70 8.755 -10.707 -5.272 501 2HB MET 70 2HB MET 70 9.385 -9.680 -6.558 502 1HG MET 70 1HG MET 70 11.252 -10.939 -5.956 503 2HG MET 70 2HG MET 70 11.508 -9.455 -5.055 504 1HE MET 70 1HE MET 70 9.466 -12.870 -4.555 505 2HE MET 70 2HE MET 70 11.143 -13.236 -5.026 506 3HE MET 70 3HE MET 70 10.566 -13.647 -3.396 507 H SER 71 H SER 71 8.472 -6.193 -4.110 508 HA SER 71 HA SER 71 10.880 -4.988 -5.268 509 1HB SER 71 1HB SER 71 8.138 -4.493 -6.499 510 2HB SER 71 2HB SER 71 9.577 -3.503 -6.823 511 HG SER 71 HG SER 71 10.045 -6.198 -7.079 512 H ILE 72 H ILE 72 10.055 -5.045 -2.578 513 HA ILE 72 HA ILE 72 8.457 -2.825 -2.002 514 HB ILE 72 HB ILE 72 8.989 -3.178 0.330 515 1HG1 ILE 72 1HG1 ILE 72 10.868 -5.393 -0.582 516 2HG1 ILE 72 2HG1 ILE 72 11.367 -3.838 0.104 517 1HG2 ILE 72 1HG2 ILE 72 7.777 -5.181 0.505 518 2HG2 ILE 72 2HG2 ILE 72 7.260 -4.465 -1.018 519 3HG2 ILE 72 3HG2 ILE 72 8.403 -5.825 -1.036 520 1HD1 ILE 72 1HD1 ILE 72 9.840 -6.054 1.483 521 2HD1 ILE 72 2HD1 ILE 72 11.382 -5.308 1.938 522 3HD1 ILE 72 3HD1 ILE 72 9.885 -4.393 2.114 523 HA PRO 73 HA PRO 73 8.306 -1.161 0.016 524 1HB PRO 73 1HB PRO 73 7.806 1.485 -0.483 525 2HB PRO 73 2HB PRO 73 8.791 0.881 0.860 526 1HG PRO 73 1HG PRO 73 9.679 1.929 -1.834 527 2HG PRO 73 2HG PRO 73 10.396 2.303 -0.242 528 1HD PRO 73 1HD PRO 73 11.488 0.462 -1.942 529 2HD PRO 73 2HD PRO 73 11.513 0.205 -0.175 530 H THR 74 H THR 74 6.416 -1.731 -0.914 531 HA THR 74 HA THR 74 5.774 -0.708 -3.646 532 HB THR 74 HB THR 74 4.922 -3.413 -2.570 533 HG1 THR 74 1HG THR 74 7.257 -2.748 -3.953 534 1HG2 THR 74 1HG2 THR 74 4.333 -3.941 -4.830 535 2HG2 THR 74 2HG2 THR 74 3.494 -2.463 -4.331 536 3HG2 THR 74 3HG2 THR 74 4.899 -2.344 -5.391 537 H LEU 75 H LEU 75 3.697 0.036 -3.883 538 HA LEU 75 HA LEU 75 1.778 -0.113 -1.604 539 1HB LEU 75 1HB LEU 75 2.883 2.140 -1.773 540 2HB LEU 75 2HB LEU 75 2.235 2.283 -3.388 541 HG LEU 75 HG LEU 75 0.242 1.440 -1.316 542 1HD1 LEU 75 1HD1 LEU 75 1.352 4.269 -1.342 543 2HD1 LEU 75 2HD1 LEU 75 -0.029 3.685 -0.385 544 3HD1 LEU 75 3HD1 LEU 75 1.580 3.062 -0.064 545 1HD2 LEU 75 1HD2 LEU 75 0.035 3.640 -3.406 546 2HD2 LEU 75 2HD2 LEU 75 -0.209 1.940 -3.810 547 3HD2 LEU 75 3HD2 LEU 75 -1.270 2.691 -2.652 548 H ILE 76 H ILE 76 0.102 -1.334 -2.405 549 HA ILE 76 HA ILE 76 -0.575 -0.905 -5.273 550 HB ILE 76 HB ILE 76 -0.829 -3.530 -3.799 551 1HG1 ILE 76 1HG1 ILE 76 1.206 -2.499 -5.783 552 2HG1 ILE 76 2HG1 ILE 76 1.453 -3.319 -4.238 553 1HG2 ILE 76 1HG2 ILE 76 -2.644 -3.154 -5.460 554 2HG2 ILE 76 2HG2 ILE 76 -1.419 -2.826 -6.713 555 3HG2 ILE 76 3HG2 ILE 76 -1.571 -4.431 -5.969 556 1HD1 ILE 76 1HD1 ILE 76 0.613 -4.570 -6.870 557 2HD1 ILE 76 2HD1 ILE 76 2.097 -4.832 -5.947 558 3HD1 ILE 76 3HD1 ILE 76 0.542 -5.415 -5.303 559 H LEU 77 H LEU 77 -2.675 -0.658 -5.683 560 HA LEU 77 HA LEU 77 -4.417 -0.252 -3.322 561 1HB LEU 77 1HB LEU 77 -3.770 1.773 -4.687 562 2HB LEU 77 2HB LEU 77 -4.722 1.110 -6.014 563 HG LEU 77 HG LEU 77 -5.708 1.787 -3.210 564 1HD1 LEU 77 1HD1 LEU 77 -6.233 3.172 -5.844 565 2HD1 LEU 77 2HD1 LEU 77 -6.804 3.675 -4.223 566 3HD1 LEU 77 3HD1 LEU 77 -5.087 3.724 -4.605 567 1HD2 LEU 77 1HD2 LEU 77 -8.027 1.734 -4.515 568 2HD2 LEU 77 2HD2 LEU 77 -7.193 0.550 -5.504 569 3HD2 LEU 77 3HD2 LEU 77 -7.365 0.282 -3.767 570 H PHE 78 H PHE 78 -6.059 -1.629 -3.193 571 HA PHE 78 HA PHE 78 -6.715 -3.333 -5.561 572 1HB PHE 78 1HB PHE 78 -6.761 -4.109 -2.640 573 2HB PHE 78 2HB PHE 78 -7.185 -5.146 -3.989 574 HD1 PHE 78 1HD PHE 78 -5.495 -6.266 -5.330 575 HD2 PHE 78 2HD PHE 78 -4.390 -3.634 -2.096 576 HE1 PHE 78 1HE PHE 78 -3.209 -7.220 -5.334 577 HE2 PHE 78 2HE PHE 78 -2.126 -4.632 -2.064 578 HZ PHE 78 HZ PHE 78 -1.520 -6.412 -3.699 579 H LYS 79 H LYS 79 -8.860 -4.093 -5.723 580 HA LYS 79 HA LYS 79 -10.733 -3.832 -3.619 581 1HB LYS 79 1HB LYS 79 -12.462 -2.528 -4.922 582 2HB LYS 79 2HB LYS 79 -11.140 -1.602 -4.236 583 1HG LYS 79 1HG LYS 79 -10.053 -1.456 -6.484 584 2HG LYS 79 2HG LYS 79 -11.343 -2.463 -7.160 585 1HD LYS 79 1HD LYS 79 -11.852 -0.162 -7.667 586 2HD LYS 79 2HD LYS 79 -13.005 -0.743 -6.457 587 1HE LYS 79 1HE LYS 79 -11.256 0.278 -4.731 588 2HE LYS 79 2HE LYS 79 -10.678 1.187 -6.134 589 1HZ LYS 79 1HZ LYS 79 -13.391 1.119 -4.985 590 2HZ LYS 79 2HZ LYS 79 -12.364 2.411 -4.944 591 3HZ LYS 79 3HZ LYS 79 -13.034 1.938 -6.382 592 H GLY 80 H GLY 80 -12.722 -5.017 -4.198 593 1HA GLY 80 1HA GLY 80 -13.825 -6.798 -5.156 594 2HA GLY 80 2HA GLY 80 -13.225 -6.221 -6.715 595 H GLY 81 H GLY 81 -10.770 -7.080 -4.377 596 1HA GLY 81 1HA GLY 81 -9.466 -8.983 -4.159 597 2HA GLY 81 2HA GLY 81 -10.365 -9.791 -5.443 598 H GLU 82 H GLU 82 -9.629 -6.779 -6.893 599 HA GLU 82 HA GLU 82 -7.186 -7.926 -8.037 600 1HB GLU 82 1HB GLU 82 -7.906 -6.771 -10.052 601 2HB GLU 82 2HB GLU 82 -9.027 -8.034 -9.543 602 1HG GLU 82 1HG GLU 82 -10.632 -6.384 -8.794 603 2HG GLU 82 2HG GLU 82 -9.470 -5.065 -9.015 604 HA PRO 83 HA PRO 83 -5.318 -3.912 -7.101 605 1HB PRO 83 1HB PRO 83 -3.063 -4.041 -8.595 606 2HB PRO 83 2HB PRO 83 -3.330 -5.105 -7.178 607 1HG PRO 83 1HG PRO 83 -3.719 -5.802 -10.095 608 2HG PRO 83 2HG PRO 83 -2.882 -6.743 -8.822 609 1HD PRO 83 1HD PRO 83 -5.515 -7.165 -9.555 610 2HD PRO 83 2HD PRO 83 -4.894 -7.483 -7.908 611 H VAL 84 H VAL 84 -5.960 -1.885 -7.986 612 HA VAL 84 HA VAL 84 -6.585 -1.723 -10.855 613 HB VAL 84 HB VAL 84 -6.795 0.762 -10.186 614 1HG1 VAL 84 1HG1 VAL 84 -8.701 -0.703 -10.773 615 2HG1 VAL 84 2HG1 VAL 84 -8.773 -1.291 -9.102 616 3HG1 VAL 84 3HG1 VAL 84 -9.142 0.412 -9.470 617 1HG2 VAL 84 1HG2 VAL 84 -5.779 0.652 -7.947 618 2HG2 VAL 84 2HG2 VAL 84 -7.433 1.287 -7.925 619 3HG2 VAL 84 3HG2 VAL 84 -7.133 -0.386 -7.427 620 H LYS 85 H LYS 85 -4.016 -0.653 -8.567 621 HA LYS 85 HA LYS 85 -2.079 -0.613 -10.656 622 1HB LYS 85 1HB LYS 85 -1.483 1.826 -10.494 623 2HB LYS 85 2HB LYS 85 -2.937 1.455 -11.393 624 1HG LYS 85 1HG LYS 85 -4.358 2.193 -9.540 625 2HG LYS 85 2HG LYS 85 -2.926 2.470 -8.515 626 1HD LYS 85 1HD LYS 85 -2.078 4.147 -10.058 627 2HD LYS 85 2HD LYS 85 -3.382 3.831 -11.219 628 1HE LYS 85 1HE LYS 85 -3.853 4.797 -8.381 629 2HE LYS 85 2HE LYS 85 -3.631 5.890 -9.758 630 1HZ LYS 85 1HZ LYS 85 -5.609 5.122 -10.746 631 2HZ LYS 85 2HZ LYS 85 -5.824 3.907 -9.602 632 3HZ LYS 85 3HZ LYS 85 -5.894 5.571 -9.306 633 H GLN 86 H GLN 86 -0.011 0.393 -9.868 634 HA GLN 86 HA GLN 86 0.567 -0.295 -7.053 635 1HB GLN 86 1HB GLN 86 0.932 -2.311 -8.288 636 2HB GLN 86 2HB GLN 86 1.607 -1.445 -9.666 637 1HG GLN 86 1HG GLN 86 3.659 -0.944 -8.426 638 2HG GLN 86 2HG GLN 86 3.009 -1.724 -6.980 639 1HE2 GLN 86 1HE2 GLN 86 4.182 -3.681 -6.757 640 2HE2 GLN 86 2HE2 GLN 86 4.455 -4.767 -8.115 641 H LEU 87 H LEU 87 2.319 0.808 -6.215 642 HA LEU 87 HA LEU 87 4.074 2.411 -7.977 643 1HB LEU 87 1HB LEU 87 3.095 2.991 -5.146 644 2HB LEU 87 2HB LEU 87 4.625 3.595 -5.713 645 HG LEU 87 HG LEU 87 3.087 5.346 -5.831 646 1HD1 LEU 87 1HD1 LEU 87 3.344 4.432 -8.706 647 2HD1 LEU 87 2HD1 LEU 87 3.429 6.083 -8.034 648 3HD1 LEU 87 3HD1 LEU 87 4.740 4.925 -7.735 649 1HD2 LEU 87 1HD2 LEU 87 1.033 5.398 -7.076 650 2HD2 LEU 87 2HD2 LEU 87 1.261 3.743 -7.660 651 3HD2 LEU 87 3HD2 LEU 87 0.967 4.042 -5.932 652 H ILE 88 H ILE 88 6.279 2.203 -7.380 653 HA ILE 88 HA ILE 88 7.041 0.269 -5.333 654 HB ILE 88 HB ILE 88 8.784 -0.610 -6.925 655 1HG1 ILE 88 1HG1 ILE 88 8.420 1.068 -8.785 656 2HG1 ILE 88 2HG1 ILE 88 8.633 -0.617 -9.216 657 1HG2 ILE 88 1HG2 ILE 88 7.326 -2.379 -7.852 658 2HG2 ILE 88 2HG2 ILE 88 7.045 -2.025 -6.142 659 3HG2 ILE 88 3HG2 ILE 88 5.906 -1.428 -7.368 660 1HD1 ILE 88 1HD1 ILE 88 5.970 0.863 -9.275 661 2HD1 ILE 88 2HD1 ILE 88 6.976 0.401 -10.648 662 3HD1 ILE 88 3HD1 ILE 88 6.212 -0.855 -9.670 663 H GLY 89 H GLY 89 8.969 0.814 -4.406 664 1HA GLY 89 1HA GLY 89 10.929 1.987 -3.986 665 2HA GLY 89 2HA GLY 89 10.748 2.875 -5.510 666 H TYR 90 H TYR 90 11.541 4.296 -3.375 667 HA TYR 90 HA TYR 90 9.333 5.554 -1.962 668 1HB TYR 90 1HB TYR 90 11.422 5.398 -0.834 669 2HB TYR 90 2HB TYR 90 12.279 6.151 -2.179 670 HD1 TYR 90 1HD TYR 90 9.499 6.843 0.249 671 HD2 TYR 90 2HD TYR 90 12.720 8.480 -2.085 672 HE1 TYR 90 1HE TYR 90 9.075 9.079 1.243 673 HE2 TYR 90 2HE TYR 90 12.326 10.706 -1.095 674 HH TYR 90 HH TYR 90 11.058 11.940 0.452 675 H GLN 91 H GLN 91 7.944 6.200 -3.675 676 HA GLN 91 HA GLN 91 8.845 8.580 -5.184 677 1HB GLN 91 1HB GLN 91 5.955 7.706 -5.042 678 2HB GLN 91 2HB GLN 91 6.812 8.610 -6.257 679 1HG GLN 91 1HG GLN 91 7.080 5.618 -5.810 680 2HG GLN 91 2HG GLN 91 6.238 6.444 -7.123 681 1HE2 GLN 91 1HE2 GLN 91 8.732 4.518 -7.080 682 2HE2 GLN 91 2HE2 GLN 91 9.872 5.476 -8.024 683 HA PRO 92 HA PRO 92 7.693 10.841 -1.492 684 1HB PRO 92 1HB PRO 92 7.598 13.425 -2.410 685 2HB PRO 92 2HB PRO 92 9.123 12.502 -2.247 686 1HG PRO 92 1HG PRO 92 7.436 12.882 -4.741 687 2HG PRO 92 2HG PRO 92 9.204 13.122 -4.559 688 1HD PRO 92 1HD PRO 92 8.172 10.799 -5.547 689 2HD PRO 92 2HD PRO 92 9.609 10.792 -4.482 690 H LYS 93 H LYS 93 5.959 12.224 -0.618 691 HA LYS 93 HA LYS 93 3.442 11.291 -0.968 692 1HB LYS 93 1HB LYS 93 4.697 13.376 0.529 693 2HB LYS 93 2HB LYS 93 3.324 14.146 -0.220 694 1HG LYS 93 1HG LYS 93 3.119 11.517 1.278 695 2HG LYS 93 2HG LYS 93 2.907 13.065 2.063 696 1HD LYS 93 1HD LYS 93 1.221 12.621 -0.381 697 2HD LYS 93 2HD LYS 93 0.919 11.574 0.983 698 1HE LYS 93 1HE LYS 93 -0.599 13.464 1.001 699 2HE LYS 93 2HE LYS 93 0.415 13.421 2.447 700 1HZ LYS 93 1HZ LYS 93 1.712 15.175 1.647 701 2HZ LYS 93 2HZ LYS 93 1.027 15.144 0.130 702 3HZ LYS 93 3HZ LYS 93 0.168 15.636 1.454 703 H GLU 94 H GLU 94 4.685 14.231 -2.444 704 HA GLU 94 HA GLU 94 2.457 15.139 -3.858 705 1HB GLU 94 1HB GLU 94 4.607 16.326 -3.559 706 2HB GLU 94 2HB GLU 94 5.393 15.207 -4.678 707 1HG GLU 94 1HG GLU 94 3.920 15.997 -6.512 708 2HG GLU 94 2HG GLU 94 3.077 17.067 -5.381 709 H GLN 95 H GLN 95 4.761 12.538 -4.865 710 HA GLN 95 HA GLN 95 3.720 12.371 -7.570 711 1HB GLN 95 1HB GLN 95 6.100 11.657 -6.298 712 2HB GLN 95 2HB GLN 95 5.264 10.124 -6.362 713 1HG GLN 95 1HG GLN 95 6.018 11.913 -8.692 714 2HG GLN 95 2HG GLN 95 6.717 10.350 -8.277 715 1HE2 GLN 95 1HE2 GLN 95 5.627 8.401 -8.972 716 2HE2 GLN 95 2HE2 GLN 95 4.221 8.497 -10.042 717 H LEU 96 H LEU 96 3.431 10.779 -4.375 718 HA LEU 96 HA LEU 96 1.974 8.495 -5.234 719 1HB LEU 96 1HB LEU 96 3.230 9.417 -2.961 720 2HB LEU 96 2HB LEU 96 1.555 9.536 -2.520 721 HG LEU 96 HG LEU 96 3.010 7.062 -3.570 722 1HD1 LEU 96 1HD1 LEU 96 1.973 7.705 -0.775 723 2HD1 LEU 96 2HD1 LEU 96 2.749 6.191 -1.282 724 3HD1 LEU 96 3HD1 LEU 96 3.677 7.698 -1.291 725 1HD2 LEU 96 1HD2 LEU 96 0.564 7.008 -4.183 726 2HD2 LEU 96 2HD2 LEU 96 1.060 5.730 -3.082 727 3HD2 LEU 96 3HD2 LEU 96 0.178 7.128 -2.453 728 H GLU 97 H GLU 97 0.859 11.626 -3.742 729 HA GLU 97 HA GLU 97 -1.933 11.037 -4.091 730 1HB GLU 97 1HB GLU 97 -0.233 13.286 -3.265 731 2HB GLU 97 2HB GLU 97 -1.584 13.828 -4.214 732 1HG GLU 97 1HG GLU 97 -1.765 12.066 -1.734 733 2HG GLU 97 2HG GLU 97 -1.857 13.822 -1.704 734 H ALA 98 H ALA 98 0.558 12.563 -6.240 735 HA ALA 98 HA ALA 98 -1.369 13.343 -8.216 736 1HB ALA 98 1HB ALA 98 0.540 13.477 -9.773 737 2HB ALA 98 2HB ALA 98 0.916 14.243 -8.221 738 3HB ALA 98 3HB ALA 98 1.575 12.634 -8.605 739 H GLN 99 H GLN 99 0.683 10.392 -8.052 740 HA GLN 99 HA GLN 99 -0.322 9.228 -10.427 741 1HB GLN 99 1HB GLN 99 1.737 8.636 -8.864 742 2HB GLN 99 2HB GLN 99 0.595 7.613 -8.008 743 1HG GLN 99 1HG GLN 99 1.665 6.178 -9.524 744 2HG GLN 99 2HG GLN 99 0.144 6.518 -10.337 745 1HE2 GLN 99 1HE2 GLN 99 0.242 7.666 -12.380 746 2HE2 GLN 99 2HE2 GLN 99 1.786 8.162 -13.063 747 H LEU 100 H LEU 100 -1.643 9.204 -7.183 748 HA LEU 100 HA LEU 100 -3.726 7.248 -7.958 749 1HB LEU 100 1HB LEU 100 -2.080 7.737 -5.636 750 2HB LEU 100 2HB LEU 100 -3.733 7.934 -5.199 751 HG LEU 100 HG LEU 100 -4.146 5.606 -6.206 752 1HD1 LEU 100 1HD1 LEU 100 -1.097 5.496 -6.117 753 2HD1 LEU 100 2HD1 LEU 100 -2.193 4.186 -6.601 754 3HD1 LEU 100 3HD1 LEU 100 -2.006 5.629 -7.622 755 1HD2 LEU 100 1HD2 LEU 100 -3.918 5.907 -3.792 756 2HD2 LEU 100 2HD2 LEU 100 -2.995 4.460 -4.253 757 3HD2 LEU 100 3HD2 LEU 100 -2.143 5.972 -3.919 758 H ALA 101 H ALA 101 -3.465 10.572 -8.115 759 HA ALA 101 HA ALA 101 -5.571 11.658 -6.765 760 1HB ALA 101 1HB ALA 101 -5.586 13.398 -8.528 761 2HB ALA 101 2HB ALA 101 -3.936 12.943 -8.077 762 3HB ALA 101 3HB ALA 101 -4.639 12.337 -9.591 763 H ASP 102 H ASP 102 -5.827 9.613 -9.601 764 HA ASP 102 HA ASP 102 -8.516 10.311 -10.419 765 1HB ASP 102 1HB ASP 102 -8.362 8.280 -11.781 766 2HB ASP 102 2HB ASP 102 -6.825 9.146 -11.878 767 H VAL 103 H VAL 103 -7.389 8.428 -7.711 768 HA VAL 103 HA VAL 103 -10.244 7.625 -7.250 769 HB VAL 103 HB VAL 103 -8.382 5.825 -7.523 770 1HG1 VAL 103 1HG1 VAL 103 -7.900 6.248 -4.579 771 2HG1 VAL 103 2HG1 VAL 103 -7.039 5.253 -5.786 772 3HG1 VAL 103 3HG1 VAL 103 -6.861 6.977 -5.820 773 1HG2 VAL 103 1HG2 VAL 103 -10.681 5.324 -6.825 774 2HG2 VAL 103 2HG2 VAL 103 -9.488 4.308 -5.992 775 3HG2 VAL 103 3HG2 VAL 103 -10.248 5.670 -5.136 776 H LEU 104 H LEU 104 -7.880 9.851 -6.276 777 HA LEU 104 HA LEU 104 -9.071 10.207 -3.611 778 1HB LEU 104 1HB LEU 104 -6.566 11.129 -5.028 779 2HB LEU 104 2HB LEU 104 -7.193 12.081 -3.766 780 HG LEU 104 HG LEU 104 -5.770 10.854 -2.531 781 1HD1 LEU 104 1HD1 LEU 104 -7.932 10.095 -1.609 782 2HD1 LEU 104 2HD1 LEU 104 -7.832 8.651 -2.662 783 3HD1 LEU 104 3HD1 LEU 104 -6.613 8.929 -1.391 784 1HD2 LEU 104 1HD2 LEU 104 -4.927 8.619 -3.014 785 2HD2 LEU 104 2HD2 LEU 104 -6.085 8.463 -4.355 786 3HD2 LEU 104 3HD2 LEU 104 -4.796 9.695 -4.413 787 H GLN 105 H GLN 105 -9.381 11.313 -6.827 788 HA GLN 105 HA GLN 105 -10.526 13.820 -6.658 789 1HB GLN 105 2HB GLN 105 -10.118 12.580 -8.719 790 2HB GLN 105 3HB GLN 105 -11.357 11.416 -8.275 791 1HG GLN 105 2HG GLN 105 -13.106 13.148 -8.410 792 2HG GLN 105 3HG GLN 105 -11.884 14.400 -8.661 793 1HE2 GLN 105 1HE2 GLN 105 -10.406 14.018 -10.690 794 2HE2 GLN 105 2HE2 GLN 105 -11.279 13.409 -12.096 Start of MODEL 4 1 1H ALA 1 H ALA 1 -12.515 2.071 6.761 2 2H ALA 1 2HN ALA 1 -12.612 3.169 5.516 3 3H ALA 1 3HN ALA 1 -11.502 1.926 5.490 4 HA ALA 1 HA ALA 1 -10.436 3.988 6.014 5 1HB ALA 1 1HB ALA 1 -12.229 3.903 8.473 6 2HB ALA 1 2HB ALA 1 -10.902 5.051 8.181 7 3HB ALA 1 3HB ALA 1 -12.335 5.077 7.136 8 H THR 2 H THR 2 -8.691 4.055 7.704 9 HA THR 2 HA THR 2 -7.287 1.826 7.218 10 HB THR 2 HB THR 2 -5.693 2.731 9.008 11 HG1 THR 2 1HG THR 2 -7.560 3.596 10.220 12 1HG2 THR 2 1HG2 THR 2 -5.198 4.752 7.773 13 2HG2 THR 2 2HG2 THR 2 -5.700 3.484 6.651 14 3HG2 THR 2 3HG2 THR 2 -6.832 4.777 7.053 15 H MET 3 H MET 3 -6.439 0.031 8.205 16 HA MET 3 HA MET 3 -7.055 -0.559 10.988 17 1HB MET 3 1HB MET 3 -8.775 -1.717 9.408 18 2HB MET 3 2HB MET 3 -7.411 -2.691 8.840 19 1HG MET 3 1HG MET 3 -7.031 -3.376 11.257 20 2HG MET 3 2HG MET 3 -8.509 -2.515 11.677 21 1HE MET 3 1HE MET 3 -11.265 -4.720 9.949 22 2HE MET 3 2HE MET 3 -10.927 -3.274 10.927 23 3HE MET 3 3HE MET 3 -10.496 -3.308 9.199 24 H THR 4 H THR 4 -5.442 -2.266 11.731 25 HA THR 4 HA THR 4 -2.878 -2.227 10.255 26 HB THR 4 HB THR 4 -3.719 -3.589 12.823 27 HG1 THR 4 1HG THR 4 -3.556 -1.198 12.612 28 1HG2 THR 4 1HG2 THR 4 -0.938 -3.215 11.612 29 2HG2 THR 4 2HG2 THR 4 -1.272 -3.803 13.254 30 3HG2 THR 4 3HG2 THR 4 -1.777 -4.765 11.862 31 H LEU 5 H LEU 5 -2.055 -4.185 9.275 32 HA LEU 5 HA LEU 5 -4.046 -6.352 8.939 33 1HB LEU 5 1HB LEU 5 -2.210 -5.352 6.755 34 2HB LEU 5 2HB LEU 5 -3.382 -6.655 6.615 35 HG LEU 5 HG LEU 5 -4.051 -3.734 7.071 36 1HD1 LEU 5 1HD1 LEU 5 -3.068 -4.215 4.834 37 2HD1 LEU 5 2HD1 LEU 5 -4.300 -5.451 4.560 38 3HD1 LEU 5 3HD1 LEU 5 -4.778 -3.754 4.700 39 1HD2 LEU 5 1HD2 LEU 5 -6.335 -4.223 6.536 40 2HD2 LEU 5 2HD2 LEU 5 -5.961 -5.940 6.348 41 3HD2 LEU 5 3HD2 LEU 5 -5.848 -5.170 7.943 42 H THR 6 H THR 6 -2.881 -8.291 7.947 43 HA THR 6 HA THR 6 -0.125 -8.663 8.637 44 HB THR 6 HB THR 6 -2.203 -10.400 10.060 45 HG1 THR 6 1HG THR 6 -1.102 -7.990 10.746 46 1HG2 THR 6 1HG2 THR 6 0.074 -11.464 9.656 47 2HG2 THR 6 2HG2 THR 6 0.783 -10.157 10.626 48 3HG2 THR 6 3HG2 THR 6 -0.369 -11.284 11.357 49 H ASP 7 H ASP 7 -1.490 -11.707 8.477 50 HA ASP 7 HA ASP 7 -1.309 -11.797 5.563 51 1HB ASP 7 1HB ASP 7 -1.301 -14.261 5.989 52 2HB ASP 7 2HB ASP 7 -0.003 -13.402 6.810 53 H ALA 8 H ALA 8 -3.582 -13.243 7.949 54 HA ALA 8 HA ALA 8 -5.646 -13.729 6.049 55 1HB ALA 8 1HB ALA 8 -5.514 -14.777 8.288 56 2HB ALA 8 2HB ALA 8 -5.846 -13.206 9.052 57 3HB ALA 8 3HB ALA 8 -7.092 -13.983 8.052 58 H ASN 9 H ASN 9 -4.864 -10.892 7.916 59 HA ASN 9 HA ASN 9 -7.357 -9.449 7.528 60 1HB ASN 9 1HB ASN 9 -4.757 -8.931 8.831 61 2HB ASN 9 2HB ASN 9 -5.479 -7.539 8.003 62 1HD2 ASN 9 1HD2 ASN 9 -5.953 -6.305 10.059 63 2HD2 ASN 9 2HD2 ASN 9 -7.256 -6.966 11.003 64 H PHE 10 H PHE 10 -4.364 -9.926 5.682 65 HA PHE 10 HA PHE 10 -4.566 -7.564 4.070 66 1HB PHE 10 1HB PHE 10 -2.488 -8.891 4.159 67 2HB PHE 10 2HB PHE 10 -3.290 -10.245 3.393 68 HD1 PHE 10 1HD PHE 10 -1.883 -6.863 2.836 69 HD2 PHE 10 2HD PHE 10 -3.894 -10.221 1.019 70 HE1 PHE 10 1HE PHE 10 -1.283 -6.036 0.587 71 HE2 PHE 10 2HE PHE 10 -3.391 -9.309 -1.215 72 HZ PHE 10 HZ PHE 10 -2.020 -7.247 -1.444 73 H GLN 11 H GLN 11 -5.562 -10.941 3.406 74 HA GLN 11 HA GLN 11 -7.060 -10.340 1.029 75 1HB GLN 11 1HB GLN 11 -7.012 -12.623 3.031 76 2HB GLN 11 2HB GLN 11 -8.237 -12.588 1.770 77 1HG GLN 11 1HG GLN 11 -5.263 -12.316 1.156 78 2HG GLN 11 2HG GLN 11 -6.079 -13.879 1.273 79 1HE2 GLN 11 1HE2 GLN 11 -4.776 -12.442 -1.218 80 2HE2 GLN 11 2HE2 GLN 11 -6.140 -12.516 -2.321 81 H GLN 12 H GLN 12 -8.122 -10.625 4.506 82 HA GLN 12 HA GLN 12 -10.821 -10.104 3.876 83 1HB GLN 12 1HB GLN 12 -9.965 -11.120 5.965 84 2HB GLN 12 2HB GLN 12 -9.415 -9.527 6.510 85 1HG GLN 12 1HG GLN 12 -11.654 -8.703 6.676 86 2HG GLN 12 2HG GLN 12 -12.304 -10.012 5.682 87 1HE2 GLN 12 1HE2 GLN 12 -12.425 -12.211 6.616 88 2HE2 GLN 12 2HE2 GLN 12 -12.500 -12.347 8.373 89 H ALA 13 H ALA 13 -8.170 -7.819 3.939 90 HA ALA 13 HA ALA 13 -9.972 -5.533 3.905 91 1HB ALA 13 1HB ALA 13 -7.776 -5.230 4.877 92 2HB ALA 13 2HB ALA 13 -6.981 -5.738 3.373 93 3HB ALA 13 3HB ALA 13 -7.923 -4.234 3.419 94 H ILE 14 H ILE 14 -7.720 -7.113 1.540 95 HA ILE 14 HA ILE 14 -8.589 -5.389 -0.558 96 HB ILE 14 HB ILE 14 -7.281 -6.710 -2.042 97 1HG1 ILE 14 1HG1 ILE 14 -6.233 -8.710 -0.144 98 2HG1 ILE 14 2HG1 ILE 14 -7.893 -9.001 -0.677 99 1HG2 ILE 14 1HG2 ILE 14 -6.082 -5.130 -0.647 100 2HG2 ILE 14 2HG2 ILE 14 -5.836 -6.359 0.611 101 3HG2 ILE 14 3HG2 ILE 14 -5.073 -6.547 -0.970 102 1HD1 ILE 14 1HD1 ILE 14 -5.490 -8.587 -2.489 103 2HD1 ILE 14 2HD1 ILE 14 -6.360 -10.104 -2.199 104 3HD1 ILE 14 3HD1 ILE 14 -7.168 -8.783 -3.051 105 H GLN 15 H GLN 15 -10.032 -8.303 0.558 106 HA GLN 15 HA GLN 15 -11.206 -9.462 -1.603 107 1HB GLN 15 1HB GLN 15 -13.041 -10.189 -0.122 108 2HB GLN 15 2HB GLN 15 -11.457 -10.371 0.620 109 1HG GLN 15 1HG GLN 15 -11.835 -8.271 1.914 110 2HG GLN 15 2HG GLN 15 -13.422 -8.098 1.171 111 1HE2 GLN 15 1HE2 GLN 15 -14.471 -8.125 3.227 112 2HE2 GLN 15 2HE2 GLN 15 -14.643 -9.644 4.100 113 H GLY 16 H GLY 16 -12.313 -6.396 -0.159 114 1HA GLY 16 1HA GLY 16 -12.955 -5.110 -2.292 115 2HA GLY 16 2HA GLY 16 -14.413 -6.127 -2.237 116 H ASP 17 H ASP 17 -13.840 -3.159 -1.889 117 HA ASP 17 HA ASP 17 -15.698 -2.531 0.212 118 1HB ASP 17 1HB ASP 17 -13.661 -2.934 1.495 119 2HB ASP 17 2HB ASP 17 -12.708 -1.939 0.416 120 H GLY 18 H GLY 18 -13.303 -0.221 -0.478 121 1HA GLY 18 1HA GLY 18 -14.151 0.460 -3.233 122 2HA GLY 18 2HA GLY 18 -14.151 1.717 -1.976 123 HA PRO 19 HA PRO 19 -9.740 1.718 -3.408 124 1HB PRO 19 1HB PRO 19 -8.951 4.064 -2.169 125 2HB PRO 19 2HB PRO 19 -9.780 3.976 -3.723 126 1HG PRO 19 1HG PRO 19 -11.019 4.474 -1.022 127 2HG PRO 19 2HG PRO 19 -11.322 5.350 -2.553 128 1HD PRO 19 1HD PRO 19 -12.968 3.416 -1.595 129 2HD PRO 19 2HD PRO 19 -12.681 3.593 -3.355 130 H VAL 20 H VAL 20 -9.140 -0.128 -2.253 131 HA VAL 20 HA VAL 20 -8.292 0.112 0.566 132 HB VAL 20 HB VAL 20 -8.291 -2.085 -1.524 133 1HG1 VAL 20 1HG1 VAL 20 -7.229 -2.130 1.358 134 2HG1 VAL 20 2HG1 VAL 20 -7.546 -3.592 0.413 135 3HG1 VAL 20 3HG1 VAL 20 -6.299 -2.464 -0.122 136 1HG2 VAL 20 1HG2 VAL 20 -10.497 -1.582 -0.459 137 2HG2 VAL 20 2HG2 VAL 20 -9.912 -3.222 -0.179 138 3HG2 VAL 20 3HG2 VAL 20 -9.795 -2.027 1.111 139 H LEU 21 H LEU 21 -6.132 0.259 1.099 140 HA LEU 21 HA LEU 21 -4.123 0.225 -1.065 141 1HB LEU 21 1HB LEU 21 -4.829 2.561 0.703 142 2HB LEU 21 2HB LEU 21 -3.131 2.318 0.298 143 HG LEU 21 HG LEU 21 -5.271 2.441 -1.859 144 1HD1 LEU 21 1HD1 LEU 21 -5.357 4.479 -0.449 145 2HD1 LEU 21 2HD1 LEU 21 -3.644 4.779 -0.789 146 3HD1 LEU 21 3HD1 LEU 21 -4.852 4.797 -2.106 147 1HD2 LEU 21 1HD2 LEU 21 -3.366 2.980 -3.285 148 2HD2 LEU 21 2HD2 LEU 21 -2.288 3.051 -1.862 149 3HD2 LEU 21 3HD2 LEU 21 -2.970 1.519 -2.393 150 H VAL 22 H VAL 22 -1.972 -0.125 -0.271 151 HA VAL 22 HA VAL 22 -1.731 -1.014 2.546 152 HB VAL 22 HB VAL 22 -1.794 -2.655 0.052 153 1HG1 VAL 22 1HG1 VAL 22 -0.094 -4.293 0.808 154 2HG1 VAL 22 2HG1 VAL 22 0.599 -2.778 0.257 155 3HG1 VAL 22 3HG1 VAL 22 0.490 -3.120 1.993 156 1HG2 VAL 22 1HG2 VAL 22 -2.394 -4.406 1.682 157 2HG2 VAL 22 2HG2 VAL 22 -1.985 -3.308 3.015 158 3HG2 VAL 22 3HG2 VAL 22 -3.349 -2.951 1.939 159 H ASP 23 H ASP 23 0.196 -0.462 3.410 160 HA ASP 23 HA ASP 23 2.482 0.276 1.622 161 1HB ASP 23 1HB ASP 23 2.007 1.606 3.783 162 2HB ASP 23 2HB ASP 23 2.340 0.190 4.672 163 H PHE 24 H PHE 24 3.556 -1.459 0.879 164 HA PHE 24 HA PHE 24 3.988 -3.845 2.606 165 1HB PHE 24 1HB PHE 24 4.200 -3.279 -0.328 166 2HB PHE 24 2HB PHE 24 5.160 -4.570 0.354 167 HD1 PHE 24 1HD PHE 24 3.677 -6.061 2.159 168 HD2 PHE 24 2HD PHE 24 2.357 -4.153 -1.485 169 HE1 PHE 24 1HE PHE 24 2.141 -7.941 1.718 170 HE2 PHE 24 2HE PHE 24 0.794 -6.009 -1.884 171 HZ PHE 24 HZ PHE 24 0.809 -8.002 -0.317 172 H TRP 25 H TRP 25 5.592 -3.522 3.837 173 HA TRP 25 HA TRP 25 8.164 -2.448 2.854 174 1HB TRP 25 1HB TRP 25 8.457 -1.007 4.711 175 2HB TRP 25 2HB TRP 25 6.850 -0.650 4.122 176 HD1 TRP 25 HD TRP 25 4.855 -2.111 5.569 177 HE1 TRP 25 1HE TRP 25 4.695 -2.579 8.075 178 HE3 TRP 25 3HE TRP 25 9.647 -0.924 6.907 179 HZ2 TRP 25 2HZ TRP 25 6.460 -2.494 10.392 180 HZ3 TRP 25 3HZ TRP 25 10.362 -1.067 9.271 181 HH2 TRP 25 HH TRP 25 8.782 -1.869 11.018 182 H ALA 26 H ALA 26 9.775 -2.928 4.988 183 HA ALA 26 HA ALA 26 9.054 -5.160 6.602 184 1HB ALA 26 1HB ALA 26 11.251 -5.498 4.500 185 2HB ALA 26 2HB ALA 26 10.992 -6.587 5.887 186 3HB ALA 26 3HB ALA 26 9.762 -6.456 4.632 187 H ALA 27 H ALA 27 10.950 -5.509 8.167 188 HA ALA 27 HA ALA 27 11.756 -3.016 9.163 189 1HB ALA 27 1HB ALA 27 12.926 -5.764 9.762 190 2HB ALA 27 2HB ALA 27 13.093 -4.310 10.771 191 3HB ALA 27 3HB ALA 27 11.495 -5.038 10.533 192 H TRP 28 H TRP 28 13.488 -5.068 6.854 193 HA TRP 28 HA TRP 28 16.033 -3.808 7.461 194 1HB TRP 28 1HB TRP 28 16.952 -5.608 6.696 195 2HB TRP 28 2HB TRP 28 15.358 -6.301 6.643 196 HD1 TRP 28 HD TRP 28 18.248 -5.202 4.551 197 HE1 TRP 28 1HE TRP 28 17.905 -5.733 2.075 198 HE3 TRP 28 3HE TRP 28 13.313 -6.571 4.689 199 HZ2 TRP 28 2HZ TRP 28 15.743 -6.542 0.345 200 HZ3 TRP 28 3HZ TRP 28 12.109 -7.161 2.574 201 HH2 TRP 28 HH TRP 28 13.359 -7.159 0.416 202 H CYS 29 H CYS 29 13.599 -3.375 4.900 203 HA CYS 29 HA CYS 29 15.490 -2.706 2.905 204 1HB CYS 29 1HB CYS 29 13.372 -1.939 1.632 205 2HB CYS 29 2HB CYS 29 13.692 -3.613 1.996 206 H GLY 30 H GLY 30 16.818 -1.037 3.242 207 1HA GLY 30 1HA GLY 30 16.745 1.367 4.345 208 2HA GLY 30 2HA GLY 30 17.460 1.149 2.747 209 HA PRO 31 HA PRO 31 14.477 3.886 1.007 210 1HB PRO 31 1HB PRO 31 13.172 2.690 -1.104 211 2HB PRO 31 2HB PRO 31 14.886 3.204 -1.140 212 1HG PRO 31 1HG PRO 31 13.781 0.436 -0.594 213 2HG PRO 31 2HG PRO 31 15.132 0.898 -1.675 214 1HD PRO 31 1HD PRO 31 15.551 -0.043 0.832 215 2HD PRO 31 2HD PRO 31 16.591 1.241 0.153 216 H CYS 32 H CYS 32 12.974 0.741 1.909 217 HA CYS 32 HA CYS 32 10.310 1.873 1.823 218 1HB CYS 32 1HB CYS 32 9.494 -0.154 2.603 219 2HB CYS 32 2HB CYS 32 10.864 -0.624 1.614 220 H ARG 33 H ARG 33 12.825 1.481 4.271 221 HA ARG 33 HA ARG 33 11.331 2.488 6.461 222 1HB ARG 33 1HB ARG 33 13.651 1.339 6.338 223 2HB ARG 33 2HB ARG 33 14.291 2.954 6.018 224 1HG ARG 33 1HG ARG 33 13.327 3.738 8.192 225 2HG ARG 33 2HG ARG 33 12.711 2.105 8.495 226 1HD ARG 33 1HD ARG 33 15.630 2.878 8.104 227 2HD ARG 33 2HD ARG 33 14.857 2.606 9.673 228 HE ARG 33 HE ARG 33 14.328 0.259 8.558 229 1HH1 ARG 33 2HH2 ARG 33 17.392 2.025 8.477 230 2HH1 ARG 33 1HH2 ARG 33 18.372 0.606 8.313 231 1HH2 ARG 33 2HH1 ARG 33 15.584 -1.609 8.425 232 2HH2 ARG 33 1HH1 ARG 33 17.301 -1.512 8.157 233 H MET 34 H MET 34 12.383 4.238 3.624 234 HA MET 34 HA MET 34 11.958 6.807 5.002 235 1HB MET 34 1HB MET 34 13.164 6.163 2.277 236 2HB MET 34 2HB MET 34 12.974 7.788 2.948 237 1HG MET 34 1HG MET 34 14.405 7.130 4.883 238 2HG MET 34 2HG MET 34 14.695 5.566 4.121 239 1HE MET 34 1HE MET 34 16.106 5.170 1.989 240 2HE MET 34 2HE MET 34 15.116 6.282 1.009 241 3HE MET 34 3HE MET 34 16.883 6.443 1.023 242 H MET 35 H MET 35 10.318 4.562 3.071 243 HA MET 35 HA MET 35 8.538 6.550 1.815 244 1HB MET 35 1HB MET 35 9.495 4.653 0.476 245 2HB MET 35 2HB MET 35 8.588 3.522 1.483 246 1HG MET 35 1HG MET 35 6.509 4.327 0.739 247 2HG MET 35 2HG MET 35 7.177 5.825 0.095 248 1HE MET 35 1HE MET 35 5.536 3.288 -2.749 249 2HE MET 35 2HE MET 35 5.195 3.183 -1.009 250 3HE MET 35 3HE MET 35 5.172 4.765 -1.830 251 H ALA 36 H ALA 36 8.588 3.840 4.166 252 HA ALA 36 HA ALA 36 5.847 3.761 4.787 253 1HB ALA 36 1HB ALA 36 8.239 3.254 6.607 254 2HB ALA 36 2HB ALA 36 6.552 2.794 6.942 255 3HB ALA 36 3HB ALA 36 7.403 2.076 5.567 256 HA PRO 37 HA PRO 37 6.323 7.272 8.021 257 1HB PRO 37 1HB PRO 37 8.345 9.132 7.723 258 2HB PRO 37 2HB PRO 37 8.435 7.698 8.793 259 1HG PRO 37 1HG PRO 37 9.496 7.983 5.968 260 2HG PRO 37 2HG PRO 37 10.346 7.339 7.411 261 1HD PRO 37 1HD PRO 37 9.219 5.670 5.647 262 2HD PRO 37 2HD PRO 37 9.051 5.347 7.389 263 H VAL 38 H VAL 38 7.383 7.788 4.622 264 HA VAL 38 HA VAL 38 5.973 10.292 4.342 265 HB VAL 38 HB VAL 38 7.689 8.627 2.775 266 1HG1 VAL 38 1HG1 VAL 38 6.820 9.076 0.487 267 2HG1 VAL 38 2HG1 VAL 38 5.916 7.862 1.380 268 3HG1 VAL 38 3HG1 VAL 38 5.249 9.490 1.197 269 1HG2 VAL 38 1HG2 VAL 38 6.737 11.459 2.285 270 2HG2 VAL 38 2HG2 VAL 38 8.065 10.975 3.357 271 3HG2 VAL 38 3HG2 VAL 38 8.185 10.696 1.614 272 H LEU 39 H LEU 39 5.131 6.865 3.791 273 HA LEU 39 HA LEU 39 2.490 7.292 2.887 274 1HB LEU 39 1HB LEU 39 4.183 5.003 3.776 275 2HB LEU 39 2HB LEU 39 2.458 4.777 3.919 276 HG LEU 39 HG LEU 39 2.064 5.131 1.596 277 1HD1 LEU 39 1HD1 LEU 39 4.990 5.855 1.309 278 2HD1 LEU 39 2HD1 LEU 39 3.911 5.501 -0.038 279 3HD1 LEU 39 3HD1 LEU 39 3.599 6.911 0.974 280 1HD2 LEU 39 1HD2 LEU 39 3.535 3.317 0.600 281 2HD2 LEU 39 2HD2 LEU 39 4.482 3.347 2.094 282 3HD2 LEU 39 3HD2 LEU 39 2.759 2.908 2.125 283 H GLU 40 H GLU 40 3.851 7.228 6.156 284 HA GLU 40 HA GLU 40 1.381 6.776 7.517 285 1HB GLU 40 1HB GLU 40 4.012 6.920 8.288 286 2HB GLU 40 2HB GLU 40 3.469 8.510 8.804 287 1HG GLU 40 1HG GLU 40 3.127 7.157 10.675 288 2HG GLU 40 2HG GLU 40 1.511 7.262 9.973 289 H GLU 41 H GLU 41 3.126 9.771 6.626 290 HA GLU 41 HA GLU 41 1.099 11.628 7.522 291 1HB GLU 41 1HB GLU 41 3.496 12.205 6.953 292 2HB GLU 41 2HB GLU 41 3.101 11.927 5.259 293 1HG GLU 41 1HG GLU 41 1.178 13.754 5.779 294 2HG GLU 41 2HG GLU 41 2.295 14.208 7.069 295 H PHE 42 H PHE 42 1.755 10.069 4.344 296 HA PHE 42 HA PHE 42 -0.389 11.193 2.890 297 1HB PHE 42 1HB PHE 42 1.474 9.811 1.949 298 2HB PHE 42 2HB PHE 42 0.762 8.396 2.708 299 HD1 PHE 42 1HD PHE 42 -0.164 6.928 1.154 300 HD2 PHE 42 2HD PHE 42 -0.547 11.185 0.522 301 HE1 PHE 42 1HE PHE 42 -1.509 6.512 -0.889 302 HE2 PHE 42 2HE PHE 42 -1.884 10.757 -1.500 303 HZ PHE 42 HZ PHE 42 -2.429 8.436 -2.187 304 H ALA 43 H ALA 43 -0.350 8.182 4.913 305 HA ALA 43 HA ALA 43 -3.011 7.455 4.523 306 1HB ALA 43 1HB ALA 43 -1.391 5.942 5.554 307 2HB ALA 43 2HB ALA 43 -1.238 7.017 6.959 308 3HB ALA 43 3HB ALA 43 -2.767 6.187 6.647 309 H GLU 44 H GLU 44 -1.640 9.444 7.172 310 HA GLU 44 HA GLU 44 -4.046 10.026 8.501 311 1HB GLU 44 1HB GLU 44 -1.836 10.507 9.418 312 2HB GLU 44 2HB GLU 44 -1.544 11.735 8.178 313 1HG GLU 44 1HG GLU 44 -3.378 13.115 9.062 314 2HG GLU 44 2HG GLU 44 -3.802 11.852 10.223 315 H ALA 45 H ALA 45 -2.484 11.801 5.811 316 HA ALA 45 HA ALA 45 -4.286 13.918 5.600 317 1HB ALA 45 1HB ALA 45 -3.391 14.232 3.350 318 2HB ALA 45 2HB ALA 45 -2.079 13.723 4.432 319 3HB ALA 45 3HB ALA 45 -2.810 12.560 3.306 320 H HIS 46 H HIS 46 -5.001 10.631 4.793 321 HA HIS 46 HA HIS 46 -7.681 11.435 3.918 322 1HB HIS 46 1HB HIS 46 -7.541 9.974 1.909 323 2HB HIS 46 2HB HIS 46 -6.554 11.429 1.819 324 HD1 HIS 46 1HD HIS 46 -5.651 8.018 3.363 325 HD2 HIS 46 2HD HIS 46 -4.503 10.731 0.351 326 HE1 HIS 46 1HE HIS 46 -3.416 7.113 2.334 327 HE2 HIS 46 2HE HIS 46 -2.756 8.796 0.516 328 H ALA 47 H ALA 47 -6.973 10.356 6.355 329 HA ALA 47 HA ALA 47 -6.740 7.601 6.534 330 1HB ALA 47 1HB ALA 47 -8.149 9.473 8.487 331 2HB ALA 47 2HB ALA 47 -7.516 7.856 8.865 332 3HB ALA 47 3HB ALA 47 -6.399 9.156 8.408 333 H ASP 48 H ASP 48 -9.656 9.399 5.918 334 HA ASP 48 HA ASP 48 -11.402 7.035 6.212 335 1HB ASP 48 1HB ASP 48 -12.173 9.078 7.253 336 2HB ASP 48 2HB ASP 48 -11.984 9.978 5.741 337 H LYS 49 H LYS 49 -10.736 9.516 3.663 338 HA LYS 49 HA LYS 49 -12.425 8.479 1.764 339 1HB LYS 49 1HB LYS 49 -11.382 10.672 1.478 340 2HB LYS 49 2HB LYS 49 -9.797 9.931 1.218 341 1HG LYS 49 1HG LYS 49 -10.553 8.876 -0.835 342 2HG LYS 49 2HG LYS 49 -12.210 9.409 -0.580 343 1HD LYS 49 1HD LYS 49 -9.871 11.302 -1.114 344 2HD LYS 49 2HD LYS 49 -10.804 10.506 -2.383 345 1HE LYS 49 1HE LYS 49 -12.896 11.573 -1.470 346 2HE LYS 49 2HE LYS 49 -11.867 12.496 -0.363 347 1HZ LYS 49 1HZ LYS 49 -10.681 13.045 -2.680 348 2HZ LYS 49 2HZ LYS 49 -12.122 12.797 -3.313 349 3HZ LYS 49 3HZ LYS 49 -11.976 13.938 -2.162 350 H VAL 50 H VAL 50 -9.317 7.052 2.626 351 HA VAL 50 HA VAL 50 -9.903 4.904 0.712 352 HB VAL 50 HB VAL 50 -7.609 4.689 -0.039 353 1HG1 VAL 50 1HG1 VAL 50 -7.480 6.523 -1.596 354 2HG1 VAL 50 2HG1 VAL 50 -9.198 6.172 -1.352 355 3HG1 VAL 50 3HG1 VAL 50 -8.483 7.557 -0.545 356 1HG2 VAL 50 1HG2 VAL 50 -7.100 7.269 1.476 357 2HG2 VAL 50 2HG2 VAL 50 -6.347 5.692 1.809 358 3HG2 VAL 50 3HG2 VAL 50 -5.964 6.567 0.312 359 H THR 51 H THR 51 -9.337 2.857 1.472 360 HA THR 51 HA THR 51 -8.829 2.879 4.331 361 HB THR 51 HB THR 51 -10.924 2.008 3.461 362 HG1 THR 51 1HG THR 51 -9.495 0.071 4.876 363 1HG2 THR 51 1HG2 THR 51 -11.109 -0.255 2.714 364 2HG2 THR 51 2HG2 THR 51 -10.210 0.715 1.538 365 3HG2 THR 51 3HG2 THR 51 -9.348 -0.422 2.620 366 H VAL 52 H VAL 52 -6.742 3.495 3.945 367 HA VAL 52 HA VAL 52 -4.860 1.640 2.696 368 HB VAL 52 HB VAL 52 -4.425 3.933 2.488 369 1HG1 VAL 52 1HG1 VAL 52 -5.371 4.843 4.595 370 2HG1 VAL 52 2HG1 VAL 52 -3.937 4.216 5.456 371 3HG1 VAL 52 3HG1 VAL 52 -3.766 5.459 4.213 372 1HG2 VAL 52 1HG2 VAL 52 -2.455 2.410 2.559 373 2HG2 VAL 52 2HG2 VAL 52 -2.116 4.110 2.905 374 3HG2 VAL 52 3HG2 VAL 52 -2.174 2.947 4.230 375 H ALA 53 H ALA 53 -2.969 0.762 3.866 376 HA ALA 53 HA ALA 53 -3.128 0.547 6.743 377 1HB ALA 53 1HB ALA 53 -3.110 -1.934 6.703 378 2HB ALA 53 2HB ALA 53 -4.631 -1.340 6.008 379 3HB ALA 53 3HB ALA 53 -3.330 -1.906 4.933 380 H LYS 54 H LYS 54 -1.280 -1.153 7.379 381 HA LYS 54 HA LYS 54 0.976 -0.988 5.542 382 1HB LYS 54 1HB LYS 54 1.176 1.058 6.867 383 2HB LYS 54 2HB LYS 54 0.912 0.161 8.377 384 1HG LYS 54 1HG LYS 54 3.009 -0.923 8.233 385 2HG LYS 54 2HG LYS 54 3.214 -0.475 6.542 386 1HD LYS 54 1HD LYS 54 4.718 0.874 7.714 387 2HD LYS 54 2HD LYS 54 3.418 1.959 7.259 388 1HE LYS 54 1HE LYS 54 3.609 0.597 9.986 389 2HE LYS 54 2HE LYS 54 4.400 2.142 9.634 390 1HZ LYS 54 1HZ LYS 54 1.491 1.850 9.296 391 2HZ LYS 54 2HZ LYS 54 2.216 2.353 10.701 392 3HZ LYS 54 3HZ LYS 54 2.384 3.231 9.395 393 H LEU 55 H LEU 55 2.147 -2.811 5.571 394 HA LEU 55 HA LEU 55 2.119 -4.548 7.943 395 1HB LEU 55 1HB LEU 55 1.234 -6.490 6.993 396 2HB LEU 55 2HB LEU 55 0.040 -5.241 6.763 397 HG LEU 55 HG LEU 55 1.967 -6.099 4.539 398 1HD1 LEU 55 1HD1 LEU 55 0.690 -8.030 5.388 399 2HD1 LEU 55 2HD1 LEU 55 -0.826 -7.159 5.116 400 3HD1 LEU 55 3HD1 LEU 55 0.223 -7.583 3.739 401 1HD2 LEU 55 1HD2 LEU 55 0.807 -3.974 4.096 402 2HD2 LEU 55 2HD2 LEU 55 0.149 -5.253 3.073 403 3HD2 LEU 55 3HD2 LEU 55 -0.753 -4.713 4.510 404 H ASN 56 H ASN 56 3.565 -6.495 7.723 405 HA ASN 56 HA ASN 56 5.986 -5.706 6.249 406 1HB ASN 56 1HB ASN 56 6.378 -6.303 8.476 407 2HB ASN 56 2HB ASN 56 5.319 -7.689 8.414 408 1HD2 ASN 56 1HD2 ASN 56 6.861 -9.257 9.051 409 2HD2 ASN 56 2HD2 ASN 56 8.206 -9.699 8.013 410 H VAL 57 H VAL 57 6.446 -6.498 4.326 411 HA VAL 57 HA VAL 57 4.646 -8.122 2.870 412 HB VAL 57 HB VAL 57 6.195 -6.367 2.051 413 1HG1 VAL 57 1HG1 VAL 57 8.490 -6.957 1.374 414 2HG1 VAL 57 2HG1 VAL 57 8.303 -7.131 3.124 415 3HG1 VAL 57 3HG1 VAL 57 8.319 -8.565 2.079 416 1HG2 VAL 57 1HG2 VAL 57 6.509 -7.327 -0.136 417 2HG2 VAL 57 2HG2 VAL 57 6.366 -8.968 0.515 418 3HG2 VAL 57 3HG2 VAL 57 4.966 -7.875 0.541 419 H ASP 58 H ASP 58 7.457 -9.046 4.806 420 HA ASP 58 HA ASP 58 7.802 -11.711 3.699 421 1HB ASP 58 1HB ASP 58 9.550 -10.448 4.857 422 2HB ASP 58 2HB ASP 58 8.585 -10.430 6.318 423 H GLU 59 H GLU 59 5.969 -10.254 6.249 424 HA GLU 59 HA GLU 59 5.027 -12.607 7.621 425 1HB GLU 59 1HB GLU 59 4.823 -10.919 9.068 426 2HB GLU 59 2HB GLU 59 4.923 -9.720 7.813 427 1HG GLU 59 1HG GLU 59 2.455 -9.967 7.396 428 2HG GLU 59 2HG GLU 59 2.397 -11.002 8.829 429 H ASN 60 H ASN 60 3.761 -10.607 5.022 430 HA ASN 60 HA ASN 60 1.445 -12.500 4.718 431 1HB ASN 60 1HB ASN 60 0.543 -10.348 5.061 432 2HB ASN 60 2HB ASN 60 1.724 -9.596 3.979 433 1HD2 ASN 60 1HD2 ASN 60 -0.642 -12.433 3.551 434 2HD2 ASN 60 2HD2 ASN 60 -0.994 -11.858 1.918 435 HA PRO 61 HA PRO 61 4.035 -13.411 1.015 436 1HB PRO 61 1HB PRO 61 3.897 -16.137 1.111 437 2HB PRO 61 2HB PRO 61 5.069 -15.189 2.076 438 1HG PRO 61 1HG PRO 61 2.386 -16.299 2.969 439 2HG PRO 61 2HG PRO 61 3.969 -16.428 3.801 440 1HD PRO 61 1HD PRO 61 2.128 -14.516 4.469 441 2HD PRO 61 2HD PRO 61 3.877 -14.183 4.523 442 H GLU 62 H GLU 62 0.850 -14.403 2.154 443 HA GLU 62 HA GLU 62 -0.143 -15.581 -0.251 444 1HB GLU 62 1HB GLU 62 -1.566 -14.356 2.149 445 2HB GLU 62 2HB GLU 62 -2.371 -15.220 0.829 446 1HG GLU 62 1HG GLU 62 -0.970 -17.237 1.334 447 2HG GLU 62 2HG GLU 62 -0.301 -16.386 2.735 448 H THR 63 H THR 63 -0.529 -14.562 -2.073 449 HA THR 63 HA THR 63 -1.447 -13.208 -3.613 450 HB THR 63 HB THR 63 -1.640 -10.714 -1.988 451 HG1 THR 63 1HG THR 63 -2.427 -12.189 -0.615 452 1HG2 THR 63 1HG2 THR 63 -2.313 -10.750 -4.365 453 2HG2 THR 63 2HG2 THR 63 -3.497 -12.031 -4.019 454 3HG2 THR 63 3HG2 THR 63 -3.702 -10.414 -3.318 455 H THR 64 H THR 64 0.732 -11.848 -1.287 456 HA THR 64 HA THR 64 2.284 -10.070 -2.728 457 HB THR 64 HB THR 64 3.022 -12.074 -0.579 458 HG1 THR 64 1HG THR 64 2.361 -10.595 0.779 459 1HG2 THR 64 1HG2 THR 64 4.481 -9.489 -1.095 460 2HG2 THR 64 2HG2 THR 64 4.813 -10.706 0.144 461 3HG2 THR 64 3HG2 THR 64 5.110 -11.090 -1.555 462 H SER 65 H SER 65 3.061 -13.575 -2.211 463 HA SER 65 HA SER 65 5.202 -13.667 -4.068 464 1HB SER 65 1HB SER 65 4.706 -15.343 -2.288 465 2HB SER 65 2HB SER 65 3.287 -15.880 -3.201 466 HG SER 65 HG SER 65 6.013 -16.043 -3.983 467 H GLN 66 H GLN 66 1.714 -14.267 -4.485 468 HA GLN 66 HA GLN 66 1.740 -15.260 -7.104 469 1HB GLN 66 1HB GLN 66 -0.111 -15.193 -5.282 470 2HB GLN 66 2HB GLN 66 -0.516 -13.601 -5.925 471 1HG GLN 66 1HG GLN 66 -0.852 -14.631 -8.184 472 2HG GLN 66 2HG GLN 66 -0.513 -16.220 -7.484 473 1HE2 GLN 66 1HE2 GLN 66 -3.072 -14.439 -8.527 474 2HE2 GLN 66 2HE2 GLN 66 -4.265 -14.988 -7.356 475 H PHE 67 H PHE 67 1.908 -11.861 -5.985 476 HA PHE 67 HA PHE 67 1.760 -11.012 -8.840 477 1HB PHE 67 1HB PHE 67 0.254 -10.144 -6.709 478 2HB PHE 67 2HB PHE 67 1.507 -8.932 -6.765 479 HD1 PHE 67 1HD PHE 67 -1.531 -10.157 -8.276 480 HD2 PHE 67 2HD PHE 67 1.929 -7.679 -8.991 481 HE1 PHE 67 1HE PHE 67 -2.718 -9.027 -10.138 482 HE2 PHE 67 2HE PHE 67 0.754 -6.595 -10.880 483 HZ PHE 67 HZ PHE 67 -1.585 -7.238 -11.437 484 H GLY 68 H GLY 68 4.158 -12.093 -7.096 485 1HA GLY 68 1HA GLY 68 6.417 -11.798 -7.235 486 2HA GLY 68 2HA GLY 68 6.125 -10.619 -8.522 487 H ILE 69 H ILE 69 4.811 -10.197 -5.271 488 HA ILE 69 HA ILE 69 5.910 -7.528 -5.148 489 HB ILE 69 HB ILE 69 4.227 -9.145 -3.237 490 1HG1 ILE 69 1HG1 ILE 69 3.124 -8.846 -5.385 491 2HG1 ILE 69 2HG1 ILE 69 2.281 -8.022 -4.098 492 1HG2 ILE 69 1HG2 ILE 69 4.675 -6.147 -3.204 493 2HG2 ILE 69 2HG2 ILE 69 3.466 -7.049 -2.259 494 3HG2 ILE 69 3HG2 ILE 69 5.170 -7.320 -1.971 495 1HD1 ILE 69 1HD1 ILE 69 3.129 -5.855 -4.834 496 2HD1 ILE 69 2HD1 ILE 69 4.138 -6.621 -6.082 497 3HD1 ILE 69 3HD1 ILE 69 2.367 -6.683 -6.190 498 H MET 70 H MET 70 8.113 -8.294 -5.266 499 HA MET 70 HA MET 70 9.264 -8.508 -2.505 500 1HB MET 70 1HB MET 70 9.491 -10.517 -4.052 501 2HB MET 70 2HB MET 70 10.562 -9.534 -5.057 502 1HG MET 70 1HG MET 70 12.117 -9.275 -3.183 503 2HG MET 70 2HG MET 70 10.998 -10.088 -2.089 504 1HE MET 70 1HE MET 70 11.321 -13.817 -2.957 505 2HE MET 70 2HE MET 70 10.692 -12.585 -1.843 506 3HE MET 70 3HE MET 70 10.017 -12.733 -3.484 507 H SER 71 H SER 71 8.640 -6.298 -4.790 508 HA SER 71 HA SER 71 11.285 -5.069 -5.037 509 1HB SER 71 1HB SER 71 9.799 -5.320 -7.012 510 2HB SER 71 2HB SER 71 8.580 -4.302 -6.213 511 HG SER 71 HG SER 71 10.301 -2.724 -6.043 512 H ILE 72 H ILE 72 9.901 -5.070 -2.389 513 HA ILE 72 HA ILE 72 8.535 -2.759 -1.980 514 HB ILE 72 HB ILE 72 8.835 -3.079 0.445 515 1HG1 ILE 72 1HG1 ILE 72 11.092 -3.967 0.572 516 2HG1 ILE 72 2HG1 ILE 72 9.890 -4.920 1.426 517 1HG2 ILE 72 1HG2 ILE 72 7.044 -4.072 -0.846 518 2HG2 ILE 72 2HG2 ILE 72 7.996 -5.532 -1.134 519 3HG2 ILE 72 3HG2 ILE 72 7.511 -5.078 0.520 520 1HD1 ILE 72 1HD1 ILE 72 9.931 -6.487 -0.675 521 2HD1 ILE 72 2HD1 ILE 72 11.453 -5.632 -1.051 522 3HD1 ILE 72 3HD1 ILE 72 11.259 -6.517 0.468 523 HA PRO 73 HA PRO 73 8.269 -1.059 0.110 524 1HB PRO 73 1HB PRO 73 7.671 1.508 -0.493 525 2HB PRO 73 2HB PRO 73 8.734 1.028 0.826 526 1HG PRO 73 1HG PRO 73 9.500 1.940 -1.967 527 2HG PRO 73 2HG PRO 73 10.252 2.441 -0.426 528 1HD PRO 73 1HD PRO 73 11.330 0.516 -2.056 529 2HD PRO 73 2HD PRO 73 11.470 0.415 -0.284 530 H THR 74 H THR 74 6.368 -1.638 -0.704 531 HA THR 74 HA THR 74 5.663 -0.837 -3.486 532 HB THR 74 HB THR 74 5.084 -3.522 -2.174 533 HG1 THR 74 1HG THR 74 6.514 -4.314 -3.634 534 1HG2 THR 74 1HG2 THR 74 3.280 -3.095 -3.680 535 2HG2 THR 74 2HG2 THR 74 4.361 -2.404 -4.905 536 3HG2 THR 74 3HG2 THR 74 4.422 -4.130 -4.554 537 H LEU 75 H LEU 75 3.459 -0.478 -3.835 538 HA LEU 75 HA LEU 75 1.640 -0.046 -1.546 539 1HB LEU 75 1HB LEU 75 3.001 1.981 -1.937 540 2HB LEU 75 2HB LEU 75 2.434 1.996 -3.570 541 HG LEU 75 HG LEU 75 0.119 1.679 -1.793 542 1HD1 LEU 75 1HD1 LEU 75 0.130 3.887 -0.721 543 2HD1 LEU 75 2HD1 LEU 75 1.390 2.825 -0.093 544 3HD1 LEU 75 3HD1 LEU 75 1.820 4.134 -1.228 545 1HD2 LEU 75 1HD2 LEU 75 1.032 3.770 -3.773 546 2HD2 LEU 75 2HD2 LEU 75 -0.052 2.379 -4.053 547 3HD2 LEU 75 3HD2 LEU 75 -0.582 3.725 -3.028 548 H ILE 76 H ILE 76 -0.044 -1.451 -2.282 549 HA ILE 76 HA ILE 76 -0.660 -1.334 -5.206 550 HB ILE 76 HB ILE 76 -1.558 -3.470 -3.297 551 1HG1 ILE 76 1HG1 ILE 76 0.671 -3.724 -5.384 552 2HG1 ILE 76 2HG1 ILE 76 0.908 -3.689 -3.649 553 1HG2 ILE 76 1HG2 ILE 76 -2.284 -4.625 -5.395 554 2HG2 ILE 76 2HG2 ILE 76 -3.077 -3.085 -5.215 555 3HG2 ILE 76 3HG2 ILE 76 -1.719 -3.245 -6.345 556 1HD1 ILE 76 1HD1 ILE 76 0.950 -5.974 -4.189 557 2HD1 ILE 76 2HD1 ILE 76 -0.692 -5.750 -3.581 558 3HD1 ILE 76 3HD1 ILE 76 -0.390 -5.850 -5.331 559 H LEU 77 H LEU 77 -2.527 -0.589 -5.766 560 HA LEU 77 HA LEU 77 -4.484 0.480 -3.792 561 1HB LEU 77 1HB LEU 77 -3.360 1.936 -5.540 562 2HB LEU 77 2HB LEU 77 -4.217 1.006 -6.771 563 HG LEU 77 HG LEU 77 -5.367 2.869 -4.653 564 1HD1 LEU 77 1HD1 LEU 77 -4.286 3.822 -6.696 565 2HD1 LEU 77 2HD1 LEU 77 -5.446 2.939 -7.703 566 3HD1 LEU 77 3HD1 LEU 77 -6.006 4.207 -6.598 567 1HD2 LEU 77 1HD2 LEU 77 -7.012 1.111 -4.831 568 2HD2 LEU 77 2HD2 LEU 77 -7.590 2.493 -5.751 569 3HD2 LEU 77 3HD2 LEU 77 -6.891 1.097 -6.608 570 H PHE 78 H PHE 78 -6.004 -0.937 -3.479 571 HA PHE 78 HA PHE 78 -6.814 -2.856 -5.634 572 1HB PHE 78 1HB PHE 78 -6.923 -3.203 -2.636 573 2HB PHE 78 2HB PHE 78 -7.877 -4.178 -3.721 574 HD1 PHE 78 1HD PHE 78 -6.908 -5.982 -5.001 575 HD2 PHE 78 2HD PHE 78 -4.480 -3.488 -2.452 576 HE1 PHE 78 1HE PHE 78 -5.102 -7.672 -5.070 577 HE2 PHE 78 2HE PHE 78 -2.717 -5.221 -2.453 578 HZ PHE 78 HZ PHE 78 -3.000 -7.304 -3.796 579 H LYS 79 H LYS 79 -9.072 -3.152 -5.899 580 HA LYS 79 HA LYS 79 -10.826 -2.029 -3.912 581 1HB LYS 79 1HB LYS 79 -12.278 -0.711 -5.403 582 2HB LYS 79 2HB LYS 79 -10.663 -0.037 -5.259 583 1HG LYS 79 1HG LYS 79 -10.151 -1.301 -7.509 584 2HG LYS 79 2HG LYS 79 -11.902 -1.498 -7.621 585 1HD LYS 79 1HD LYS 79 -11.272 0.438 -8.879 586 2HD LYS 79 2HD LYS 79 -12.130 1.017 -7.442 587 1HE LYS 79 1HE LYS 79 -10.071 1.666 -6.355 588 2HE LYS 79 2HE LYS 79 -9.094 0.758 -7.502 589 1HZ LYS 79 1HZ LYS 79 -10.681 3.169 -8.163 590 2HZ LYS 79 2HZ LYS 79 -9.047 3.117 -8.010 591 3HZ LYS 79 3HZ LYS 79 -9.782 2.311 -9.239 592 H GLY 80 H GLY 80 -12.818 -3.023 -3.906 593 1HA GLY 80 1HA GLY 80 -14.191 -4.882 -4.069 594 2HA GLY 80 2HA GLY 80 -14.223 -4.369 -5.714 595 H GLY 81 H GLY 81 -11.385 -5.905 -4.031 596 1HA GLY 81 1HA GLY 81 -10.702 -8.110 -4.127 597 2HA GLY 81 2HA GLY 81 -11.847 -8.447 -5.413 598 H GLU 82 H GLU 82 -10.295 -5.636 -6.457 599 HA GLU 82 HA GLU 82 -8.431 -7.264 -8.095 600 1HB GLU 82 1HB GLU 82 -10.502 -6.576 -9.214 601 2HB GLU 82 2HB GLU 82 -10.156 -4.880 -8.842 602 1HG GLU 82 1HG GLU 82 -8.049 -5.040 -10.195 603 2HG GLU 82 2HG GLU 82 -8.444 -6.721 -10.573 604 HA PRO 83 HA PRO 83 -5.399 -4.026 -6.907 605 1HB PRO 83 1HB PRO 83 -3.246 -4.952 -8.295 606 2HB PRO 83 2HB PRO 83 -3.819 -5.708 -6.782 607 1HG PRO 83 1HG PRO 83 -4.349 -6.607 -9.618 608 2HG PRO 83 2HG PRO 83 -3.893 -7.596 -8.197 609 1HD PRO 83 1HD PRO 83 -6.484 -7.293 -9.089 610 2HD PRO 83 2HD PRO 83 -6.077 -7.588 -7.373 611 H VAL 84 H VAL 84 -6.149 -2.190 -7.900 612 HA VAL 84 HA VAL 84 -6.589 -1.983 -10.756 613 HB VAL 84 HB VAL 84 -7.115 -0.416 -8.361 614 1HG1 VAL 84 1HG1 VAL 84 -5.648 1.293 -9.288 615 2HG1 VAL 84 2HG1 VAL 84 -6.525 1.226 -10.836 616 3HG1 VAL 84 3HG1 VAL 84 -7.336 1.796 -9.360 617 1HG2 VAL 84 1HG2 VAL 84 -8.832 -1.546 -9.674 618 2HG2 VAL 84 2HG2 VAL 84 -9.123 0.204 -9.725 619 3HG2 VAL 84 3HG2 VAL 84 -8.398 -0.608 -11.110 620 H LYS 85 H LYS 85 -3.989 -0.931 -8.519 621 HA LYS 85 HA LYS 85 -2.078 -1.063 -10.640 622 1HB LYS 85 1HB LYS 85 -1.375 1.138 -10.882 623 2HB LYS 85 2HB LYS 85 -3.122 1.298 -10.937 624 1HG LYS 85 1HG LYS 85 -3.028 1.970 -8.463 625 2HG LYS 85 2HG LYS 85 -1.265 1.947 -8.596 626 1HD LYS 85 1HD LYS 85 -1.865 4.209 -8.889 627 2HD LYS 85 2HD LYS 85 -1.478 3.624 -10.504 628 1HE LYS 85 1HE LYS 85 -3.536 4.122 -11.240 629 2HE LYS 85 2HE LYS 85 -4.256 3.070 -10.007 630 1HZ LYS 85 1HZ LYS 85 -5.069 5.350 -9.864 631 2HZ LYS 85 2HZ LYS 85 -4.244 4.962 -8.497 632 3HZ LYS 85 3HZ LYS 85 -3.586 5.940 -9.675 633 H GLN 86 H GLN 86 0.172 -0.669 -9.718 634 HA GLN 86 HA GLN 86 0.134 -0.093 -6.878 635 1HB GLN 86 1HB GLN 86 1.654 -1.793 -6.296 636 2HB GLN 86 2HB GLN 86 0.316 -2.547 -7.178 637 1HG GLN 86 1HG GLN 86 3.080 -2.008 -8.289 638 2HG GLN 86 2HG GLN 86 2.506 -3.546 -7.650 639 1HE2 GLN 86 1HE2 GLN 86 0.800 -4.754 -8.858 640 2HE2 GLN 86 2HE2 GLN 86 0.500 -4.305 -10.531 641 H LEU 87 H LEU 87 2.210 0.591 -6.094 642 HA LEU 87 HA LEU 87 3.984 1.910 -8.095 643 1HB LEU 87 1HB LEU 87 3.152 2.812 -5.304 644 2HB LEU 87 2HB LEU 87 4.504 3.475 -6.159 645 HG LEU 87 HG LEU 87 2.616 4.949 -6.181 646 1HD1 LEU 87 1HD1 LEU 87 2.779 5.630 -8.384 647 2HD1 LEU 87 2HD1 LEU 87 4.281 4.763 -8.089 648 3HD1 LEU 87 3HD1 LEU 87 2.990 3.963 -9.012 649 1HD2 LEU 87 1HD2 LEU 87 1.032 3.071 -7.964 650 2HD2 LEU 87 2HD2 LEU 87 0.731 3.261 -6.224 651 3HD2 LEU 87 3HD2 LEU 87 0.550 4.644 -7.322 652 H ILE 88 H ILE 88 6.233 1.691 -7.537 653 HA ILE 88 HA ILE 88 6.967 -0.035 -5.289 654 HB ILE 88 HB ILE 88 8.498 -1.294 -6.849 655 1HG1 ILE 88 1HG1 ILE 88 6.628 -0.290 -9.051 656 2HG1 ILE 88 2HG1 ILE 88 8.323 0.168 -8.850 657 1HG2 ILE 88 1HG2 ILE 88 5.520 -1.785 -7.245 658 2HG2 ILE 88 2HG2 ILE 88 6.827 -2.988 -7.349 659 3HG2 ILE 88 3HG2 ILE 88 6.471 -2.221 -5.809 660 1HD1 ILE 88 1HD1 ILE 88 8.198 -1.501 -10.564 661 2HD1 ILE 88 2HD1 ILE 88 8.961 -2.249 -9.145 662 3HD1 ILE 88 3HD1 ILE 88 7.258 -2.594 -9.543 663 H GLY 89 H GLY 89 8.866 0.554 -4.430 664 1HA GLY 89 1HA GLY 89 10.873 1.692 -4.134 665 2HA GLY 89 2HA GLY 89 10.794 2.309 -5.794 666 H TYR 90 H TYR 90 11.529 3.933 -3.692 667 HA TYR 90 HA TYR 90 9.485 5.238 -2.276 668 1HB TYR 90 1HB TYR 90 11.787 5.031 -1.549 669 2HB TYR 90 2HB TYR 90 12.320 6.035 -2.891 670 HD1 TYR 90 1HD TYR 90 13.400 7.763 -1.655 671 HD2 TYR 90 2HD TYR 90 9.307 6.732 -0.720 672 HE1 TYR 90 1HE TYR 90 13.281 9.643 -0.038 673 HE2 TYR 90 2HE TYR 90 9.205 8.573 0.882 674 HH TYR 90 HH TYR 90 10.618 9.920 2.232 675 H GLN 91 H GLN 91 7.814 6.194 -3.510 676 HA GLN 91 HA GLN 91 8.578 8.337 -5.397 677 1HB GLN 91 1HB GLN 91 5.716 7.729 -4.655 678 2HB GLN 91 2HB GLN 91 6.369 8.441 -6.094 679 1HG GLN 91 1HG GLN 91 6.505 5.502 -5.337 680 2HG GLN 91 2HG GLN 91 5.476 6.245 -6.555 681 1HE2 GLN 91 1HE2 GLN 91 8.255 4.437 -6.262 682 2HE2 GLN 91 2HE2 GLN 91 9.005 4.937 -7.773 683 HA PRO 92 HA PRO 92 7.745 11.226 -1.952 684 1HB PRO 92 1HB PRO 92 7.674 13.599 -3.305 685 2HB PRO 92 2HB PRO 92 9.201 12.706 -3.021 686 1HG PRO 92 1HG PRO 92 7.461 12.688 -5.497 687 2HG PRO 92 2HG PRO 92 9.235 12.910 -5.404 688 1HD PRO 92 1HD PRO 92 8.087 10.483 -5.957 689 2HD PRO 92 2HD PRO 92 9.599 10.616 -5.011 690 H LYS 93 H LYS 93 5.930 12.731 -1.354 691 HA LYS 93 HA LYS 93 3.467 11.539 -1.777 692 1HB LYS 93 1HB LYS 93 4.463 13.941 -0.387 693 2HB LYS 93 2HB LYS 93 2.920 14.261 -1.143 694 1HG LYS 93 1HG LYS 93 2.334 13.450 0.998 695 2HG LYS 93 2HG LYS 93 2.016 12.122 -0.107 696 1HD LYS 93 1HD LYS 93 3.316 10.821 1.179 697 2HD LYS 93 2HD LYS 93 4.712 11.716 0.616 698 1HE LYS 93 1HE LYS 93 3.092 12.186 3.137 699 2HE LYS 93 2HE LYS 93 4.756 11.632 3.024 700 1HZ LYS 93 1HZ LYS 93 3.651 14.310 2.666 701 2HZ LYS 93 2HZ LYS 93 4.778 13.890 3.630 702 3HZ LYS 93 3HZ LYS 93 5.173 13.961 1.996 703 H GLU 94 H GLU 94 4.739 14.440 -3.379 704 HA GLU 94 HA GLU 94 2.546 15.245 -4.891 705 1HB GLU 94 1HB GLU 94 4.646 16.461 -4.678 706 2HB GLU 94 2HB GLU 94 5.536 15.209 -5.506 707 1HG GLU 94 1HG GLU 94 3.226 16.448 -7.007 708 2HG GLU 94 2HG GLU 94 4.606 17.468 -6.684 709 H GLN 95 H GLN 95 4.784 12.521 -5.553 710 HA GLN 95 HA GLN 95 3.832 12.291 -8.295 711 1HB GLN 95 1HB GLN 95 6.260 12.153 -7.322 712 2HB GLN 95 2HB GLN 95 5.825 10.572 -6.741 713 1HG GLN 95 1HG GLN 95 7.006 10.355 -8.817 714 2HG GLN 95 2HG GLN 95 5.345 9.816 -9.027 715 1HE2 GLN 95 1HE2 GLN 95 5.782 13.464 -9.024 716 2HE2 GLN 95 2HE2 GLN 95 5.711 13.521 -10.755 717 H LEU 96 H LEU 96 3.960 10.562 -5.284 718 HA LEU 96 HA LEU 96 2.526 8.177 -5.968 719 1HB LEU 96 1HB LEU 96 3.927 8.911 -3.901 720 2HB LEU 96 2HB LEU 96 2.394 9.415 -3.252 721 HG LEU 96 HG LEU 96 2.766 6.618 -4.407 722 1HD1 LEU 96 1HD1 LEU 96 4.495 6.893 -2.715 723 2HD1 LEU 96 2HD1 LEU 96 3.302 7.504 -1.550 724 3HD1 LEU 96 3HD1 LEU 96 3.208 5.822 -2.138 725 1HD2 LEU 96 1HD2 LEU 96 0.906 6.069 -2.840 726 2HD2 LEU 96 2HD2 LEU 96 0.845 7.770 -2.334 727 3HD2 LEU 96 3HD2 LEU 96 0.433 7.313 -4.002 728 H GLU 97 H GLU 97 1.324 11.163 -4.273 729 HA GLU 97 HA GLU 97 -1.395 10.384 -4.433 730 1HB GLU 97 1HB GLU 97 -0.311 12.165 -2.957 731 2HB GLU 97 2HB GLU 97 -0.409 13.246 -4.342 732 1HG GLU 97 1HG GLU 97 -2.797 11.750 -3.163 733 2HG GLU 97 2HG GLU 97 -2.300 13.348 -2.615 734 H ALA 98 H ALA 98 0.745 12.138 -6.739 735 HA ALA 98 HA ALA 98 -1.458 12.902 -8.464 736 1HB ALA 98 1HB ALA 98 0.666 14.000 -8.797 737 2HB ALA 98 2HB ALA 98 1.470 12.452 -9.171 738 3HB ALA 98 3HB ALA 98 0.246 13.121 -10.270 739 H GLN 99 H GLN 99 0.747 10.050 -8.515 740 HA GLN 99 HA GLN 99 -0.535 8.825 -10.755 741 1HB GLN 99 1HB GLN 99 1.735 8.366 -9.792 742 2HB GLN 99 2HB GLN 99 0.990 7.506 -8.466 743 1HG GLN 99 1HG GLN 99 1.913 6.052 -10.307 744 2HG GLN 99 2HG GLN 99 0.243 5.727 -9.870 745 1HE2 GLN 99 1HE2 GLN 99 -1.461 6.669 -11.389 746 2HE2 GLN 99 2HE2 GLN 99 -1.004 6.734 -13.104 747 H LEU 100 H LEU 100 -1.317 8.915 -7.443 748 HA LEU 100 HA LEU 100 -3.368 6.787 -7.576 749 1HB LEU 100 1HB LEU 100 -1.580 7.608 -5.615 750 2HB LEU 100 2HB LEU 100 -3.083 8.261 -5.065 751 HG LEU 100 HG LEU 100 -4.001 5.833 -5.379 752 1HD1 LEU 100 1HD1 LEU 100 -2.244 4.072 -5.394 753 2HD1 LEU 100 2HD1 LEU 100 -2.078 5.081 -6.844 754 3HD1 LEU 100 3HD1 LEU 100 -0.979 5.309 -5.480 755 1HD2 LEU 100 1HD2 LEU 100 -1.773 6.491 -3.400 756 2HD2 LEU 100 2HD2 LEU 100 -3.530 6.686 -3.164 757 3HD2 LEU 100 3HD2 LEU 100 -2.818 5.082 -3.265 758 H ALA 101 H ALA 101 -3.362 10.130 -8.101 759 HA ALA 101 HA ALA 101 -5.415 11.203 -6.728 760 1HB ALA 101 1HB ALA 101 -5.546 12.892 -8.517 761 2HB ALA 101 2HB ALA 101 -3.868 12.465 -8.156 762 3HB ALA 101 3HB ALA 101 -4.651 11.818 -9.616 763 H ASP 102 H ASP 102 -5.794 9.092 -9.561 764 HA ASP 102 HA ASP 102 -8.555 9.645 -10.145 765 1HB ASP 102 1HB ASP 102 -8.319 7.413 -11.352 766 2HB ASP 102 2HB ASP 102 -7.047 8.569 -11.758 767 H VAL 103 H VAL 103 -7.200 8.164 -7.352 768 HA VAL 103 HA VAL 103 -9.984 7.333 -6.739 769 HB VAL 103 HB VAL 103 -7.887 5.555 -6.949 770 1HG1 VAL 103 1HG1 VAL 103 -8.184 6.023 -3.967 771 2HG1 VAL 103 2HG1 VAL 103 -7.376 4.665 -4.743 772 3HG1 VAL 103 3HG1 VAL 103 -6.724 6.297 -4.952 773 1HG2 VAL 103 1HG2 VAL 103 -10.234 5.089 -7.087 774 2HG2 VAL 103 2HG2 VAL 103 -9.450 3.984 -5.930 775 3HG2 VAL 103 3HG2 VAL 103 -10.436 5.354 -5.351 776 H LEU 104 H LEU 104 -7.766 9.714 -6.124 777 HA LEU 104 HA LEU 104 -8.817 10.198 -3.408 778 1HB LEU 104 1HB LEU 104 -6.300 10.957 -4.907 779 2HB LEU 104 2HB LEU 104 -6.874 11.994 -3.701 780 HG LEU 104 HG LEU 104 -5.403 10.794 -2.456 781 1HD1 LEU 104 1HD1 LEU 104 -7.679 8.791 -2.292 782 2HD1 LEU 104 2HD1 LEU 104 -6.395 9.029 -1.095 783 3HD1 LEU 104 3HD1 LEU 104 -7.598 10.313 -1.366 784 1HD2 LEU 104 1HD2 LEU 104 -6.025 8.300 -4.071 785 2HD2 LEU 104 2HD2 LEU 104 -4.664 9.419 -4.286 786 3HD2 LEU 104 3HD2 LEU 104 -4.793 8.460 -2.793 787 H GLN 105 H GLN 105 -9.070 11.196 -6.659 788 HA GLN 105 HA GLN 105 -10.342 13.682 -6.488 789 1HB GLN 105 2HB GLN 105 -9.760 12.128 -8.486 790 2HB GLN 105 3HB GLN 105 -11.238 11.311 -8.106 791 1HG GLN 105 2HG GLN 105 -11.682 12.861 -9.881 792 2HG GLN 105 3HG GLN 105 -12.465 13.512 -8.443 793 1HE2 GLN 105 1HE2 GLN 105 -8.901 13.817 -8.832 794 2HE2 GLN 105 2HE2 GLN 105 -8.964 15.531 -9.226 Start of MODEL 5 1 1H ALA 1 H ALA 1 -11.121 4.947 6.962 2 2H ALA 1 2HN ALA 1 -10.034 4.403 5.829 3 3H ALA 1 3HN ALA 1 -10.633 3.369 6.963 4 HA ALA 1 HA ALA 1 -8.759 5.581 7.322 5 1HB ALA 1 1HB ALA 1 -8.819 5.166 9.746 6 2HB ALA 1 2HB ALA 1 -10.395 5.708 9.155 7 3HB ALA 1 3HB ALA 1 -10.127 3.983 9.523 8 H THR 2 H THR 2 -6.732 4.808 8.479 9 HA THR 2 HA THR 2 -5.687 2.593 7.174 10 HB THR 2 HB THR 2 -4.655 3.959 9.688 11 HG1 THR 2 1HG THR 2 -3.756 5.447 8.320 12 1HG2 THR 2 1HG2 THR 2 -3.222 2.078 9.218 13 2HG2 THR 2 2HG2 THR 2 -3.230 2.390 7.488 14 3HG2 THR 2 3HG2 THR 2 -2.374 3.487 8.581 15 H MET 3 H MET 3 -4.862 0.564 8.004 16 HA MET 3 HA MET 3 -5.251 -0.061 10.805 17 1HB MET 3 1HB MET 3 -7.274 -1.020 9.467 18 2HB MET 3 2HB MET 3 -6.115 -2.157 8.775 19 1HG MET 3 1HG MET 3 -5.596 -2.975 11.079 20 2HG MET 3 2HG MET 3 -6.675 -1.748 11.742 21 1HE MET 3 1HE MET 3 -6.294 -5.267 10.193 22 2HE MET 3 2HE MET 3 -7.922 -5.649 9.597 23 3HE MET 3 3HE MET 3 -6.937 -4.427 8.762 24 H THR 4 H THR 4 -3.841 -2.227 11.201 25 HA THR 4 HA THR 4 -1.483 -2.311 9.433 26 HB THR 4 HB THR 4 -2.211 -4.214 11.660 27 HG1 THR 4 1HG THR 4 -0.930 -1.699 11.872 28 1HG2 THR 4 1HG2 THR 4 -0.260 -4.876 10.314 29 2HG2 THR 4 2HG2 THR 4 0.471 -3.274 10.539 30 3HG2 THR 4 3HG2 THR 4 0.262 -4.371 11.921 31 H LEU 5 H LEU 5 -1.063 -4.294 8.156 32 HA LEU 5 HA LEU 5 -3.505 -5.967 7.663 33 1HB LEU 5 1HB LEU 5 -2.401 -4.302 5.817 34 2HB LEU 5 2HB LEU 5 -1.398 -5.688 5.581 35 HG LEU 5 HG LEU 5 -3.466 -7.091 5.234 36 1HD1 LEU 5 1HD1 LEU 5 -5.080 -5.368 6.350 37 2HD1 LEU 5 2HD1 LEU 5 -4.947 -4.456 4.847 38 3HD1 LEU 5 3HD1 LEU 5 -5.577 -6.091 4.804 39 1HD2 LEU 5 1HD2 LEU 5 -3.840 -6.184 2.936 40 2HD2 LEU 5 2HD2 LEU 5 -2.973 -4.699 3.406 41 3HD2 LEU 5 3HD2 LEU 5 -2.125 -6.255 3.360 42 H THR 6 H THR 6 -2.935 -8.271 6.816 43 HA THR 6 HA THR 6 -0.615 -9.509 7.752 44 HB THR 6 HB THR 6 -3.089 -10.455 9.174 45 HG1 THR 6 1HG THR 6 -1.735 -8.107 9.944 46 1HG2 THR 6 1HG2 THR 6 -0.951 -11.628 9.483 47 2HG2 THR 6 2HG2 THR 6 -0.182 -10.125 10.049 48 3HG2 THR 6 3HG2 THR 6 -1.471 -10.893 11.004 49 H ASP 7 H ASP 7 -1.301 -11.876 7.511 50 HA ASP 7 HA ASP 7 -2.034 -12.530 4.902 51 1HB ASP 7 1HB ASP 7 -2.017 -14.818 5.578 52 2HB ASP 7 2HB ASP 7 -0.719 -13.978 6.426 53 H ALA 8 H ALA 8 -4.130 -13.122 7.765 54 HA ALA 8 HA ALA 8 -6.426 -13.816 6.258 55 1HB ALA 8 1HB ALA 8 -6.177 -14.187 8.703 56 2HB ALA 8 2HB ALA 8 -6.286 -12.437 8.986 57 3HB ALA 8 3HB ALA 8 -7.688 -13.314 8.341 58 H ASN 9 H ASN 9 -5.296 -10.632 7.249 59 HA ASN 9 HA ASN 9 -7.674 -9.170 6.505 60 1HB ASN 9 1HB ASN 9 -4.856 -8.251 7.052 61 2HB ASN 9 2HB ASN 9 -6.268 -7.229 6.864 62 1HD2 ASN 9 1HD2 ASN 9 -4.303 -8.483 9.411 63 2HD2 ASN 9 2HD2 ASN 9 -5.621 -8.513 10.538 64 H PHE 10 H PHE 10 -4.748 -10.303 4.896 65 HA PHE 10 HA PHE 10 -4.893 -8.643 2.588 66 1HB PHE 10 1HB PHE 10 -3.016 -10.380 3.537 67 2HB PHE 10 2HB PHE 10 -3.771 -11.437 2.361 68 HD1 PHE 10 1HD PHE 10 -1.558 -8.634 2.933 69 HD2 PHE 10 2HD PHE 10 -3.802 -10.684 -0.120 70 HE1 PHE 10 1HE PHE 10 -0.365 -7.366 1.202 71 HE2 PHE 10 2HE PHE 10 -2.731 -9.282 -1.845 72 HZ PHE 10 HZ PHE 10 -1.043 -7.604 -1.209 73 H GLN 11 H GLN 11 -7.054 -11.038 3.577 74 HA GLN 11 HA GLN 11 -8.287 -10.720 0.879 75 1HB GLN 11 1HB GLN 11 -7.567 -13.168 1.843 76 2HB GLN 11 2HB GLN 11 -9.141 -13.040 2.620 77 1HG GLN 11 1HG GLN 11 -8.525 -12.680 -0.339 78 2HG GLN 11 2HG GLN 11 -9.190 -14.149 0.397 79 1HE2 GLN 11 1HE2 GLN 11 -10.305 -12.342 -1.768 80 2HE2 GLN 11 2HE2 GLN 11 -11.896 -11.921 -1.160 81 H GLN 12 H GLN 12 -8.988 -11.283 4.386 82 HA GLN 12 HA GLN 12 -11.710 -10.590 4.054 83 1HB GLN 12 1HB GLN 12 -10.642 -12.086 5.786 84 2HB GLN 12 2HB GLN 12 -10.058 -10.644 6.622 85 1HG GLN 12 1HG GLN 12 -12.334 -9.947 7.118 86 2HG GLN 12 2HG GLN 12 -13.002 -11.182 6.041 87 1HE2 GLN 12 1HE2 GLN 12 -13.654 -13.101 7.047 88 2HE2 GLN 12 2HE2 GLN 12 -13.047 -13.597 8.625 89 H ALA 13 H ALA 13 -9.033 -8.453 4.183 90 HA ALA 13 HA ALA 13 -10.817 -6.243 4.926 91 1HB ALA 13 1HB ALA 13 -9.005 -4.988 5.795 92 2HB ALA 13 2HB ALA 13 -8.936 -6.595 6.545 93 3HB ALA 13 3HB ALA 13 -7.819 -6.164 5.225 94 H ILE 14 H ILE 14 -9.374 -7.705 2.258 95 HA ILE 14 HA ILE 14 -9.751 -5.152 0.760 96 HB ILE 14 HB ILE 14 -9.092 -6.535 -1.260 97 1HG1 ILE 14 1HG1 ILE 14 -7.656 -8.300 0.717 98 2HG1 ILE 14 2HG1 ILE 14 -9.100 -8.791 -0.165 99 1HG2 ILE 14 1HG2 ILE 14 -6.708 -5.958 -0.899 100 2HG2 ILE 14 2HG2 ILE 14 -7.775 -4.706 -0.281 101 3HG2 ILE 14 3HG2 ILE 14 -7.004 -5.841 0.849 102 1HD1 ILE 14 1HD1 ILE 14 -6.403 -8.140 -1.378 103 2HD1 ILE 14 2HD1 ILE 14 -7.298 -9.667 -1.419 104 3HD1 ILE 14 3HD1 ILE 14 -7.897 -8.280 -2.335 105 H GLN 15 H GLN 15 -10.585 -8.101 -0.717 106 HA GLN 15 HA GLN 15 -12.385 -8.881 -1.700 107 1HB GLN 15 1HB GLN 15 -13.840 -10.037 -0.201 108 2HB GLN 15 2HB GLN 15 -12.176 -10.076 0.362 109 1HG GLN 15 1HG GLN 15 -12.643 -8.529 2.151 110 2HG GLN 15 2HG GLN 15 -14.234 -8.153 1.483 111 1HE2 GLN 15 1HE2 GLN 15 -12.705 -11.514 1.931 112 2HE2 GLN 15 2HE2 GLN 15 -14.026 -11.976 2.994 113 H GLY 16 H GLY 16 -13.055 -5.804 -0.522 114 1HA GLY 16 1HA GLY 16 -15.793 -5.770 -1.724 115 2HA GLY 16 2HA GLY 16 -15.191 -4.692 -0.459 116 H ASP 17 H ASP 17 -16.347 -3.276 -2.311 117 HA ASP 17 HA ASP 17 -14.713 -2.653 -4.625 118 1HB ASP 17 1HB ASP 17 -16.572 -1.189 -5.152 119 2HB ASP 17 2HB ASP 17 -17.205 -2.760 -4.657 120 H GLY 18 H GLY 18 -14.775 -1.656 -1.347 121 1HA GLY 18 1HA GLY 18 -14.404 1.138 -1.563 122 2HA GLY 18 2HA GLY 18 -13.897 0.139 -0.191 123 HA PRO 19 HA PRO 19 -10.116 1.368 -2.882 124 1HB PRO 19 1HB PRO 19 -9.346 3.829 -1.987 125 2HB PRO 19 2HB PRO 19 -10.504 3.598 -3.327 126 1HG PRO 19 1HG PRO 19 -11.126 4.170 -0.421 127 2HG PRO 19 2HG PRO 19 -11.828 4.940 -1.871 128 1HD PRO 19 1HD PRO 19 -13.046 2.894 -0.496 129 2HD PRO 19 2HD PRO 19 -13.231 3.095 -2.262 130 H VAL 20 H VAL 20 -9.171 -0.327 -1.765 131 HA VAL 20 HA VAL 20 -7.943 0.348 0.851 132 HB VAL 20 HB VAL 20 -8.515 -2.331 -0.445 133 1HG1 VAL 20 1HG1 VAL 20 -6.368 -2.592 0.649 134 2HG1 VAL 20 2HG1 VAL 20 -6.923 -1.699 2.080 135 3HG1 VAL 20 3HG1 VAL 20 -7.590 -3.300 1.713 136 1HG2 VAL 20 1HG2 VAL 20 -9.508 -1.102 2.157 137 2HG2 VAL 20 2HG2 VAL 20 -10.457 -1.270 0.664 138 3HG2 VAL 20 3HG2 VAL 20 -9.921 -2.707 1.528 139 H LEU 21 H LEU 21 -5.688 0.361 0.949 140 HA LEU 21 HA LEU 21 -4.236 -0.587 -1.422 141 1HB LEU 21 1HB LEU 21 -2.592 1.346 -1.159 142 2HB LEU 21 2HB LEU 21 -4.049 1.608 -2.081 143 HG LEU 21 HG LEU 21 -4.213 2.323 0.815 144 1HD1 LEU 21 1HD1 LEU 21 -3.145 4.483 0.509 145 2HD1 LEU 21 2HD1 LEU 21 -1.985 3.167 0.255 146 3HD1 LEU 21 3HD1 LEU 21 -2.669 4.043 -1.142 147 1HD2 LEU 21 1HD2 LEU 21 -5.108 3.778 -1.701 148 2HD2 LEU 21 2HD2 LEU 21 -6.127 2.686 -0.742 149 3HD2 LEU 21 3HD2 LEU 21 -5.524 4.187 -0.034 150 H VAL 22 H VAL 22 -2.361 -1.519 -1.083 151 HA VAL 22 HA VAL 22 -1.922 -2.464 1.694 152 HB VAL 22 HB VAL 22 -1.408 -3.599 -1.097 153 1HG1 VAL 22 1HG1 VAL 22 -0.852 -4.965 1.558 154 2HG1 VAL 22 2HG1 VAL 22 -0.590 -5.598 -0.091 155 3HG1 VAL 22 3HG1 VAL 22 0.405 -4.288 0.496 156 1HG2 VAL 22 1HG2 VAL 22 -3.317 -4.461 1.124 157 2HG2 VAL 22 2HG2 VAL 22 -3.770 -3.737 -0.420 158 3HG2 VAL 22 3HG2 VAL 22 -3.043 -5.352 -0.385 159 H ASP 23 H ASP 23 -0.088 -1.659 2.664 160 HA ASP 23 HA ASP 23 2.001 -0.482 0.928 161 1HB ASP 23 1HB ASP 23 0.589 0.448 3.215 162 2HB ASP 23 2HB ASP 23 2.215 0.089 3.764 163 H PHE 24 H PHE 24 3.238 -2.203 0.360 164 HA PHE 24 HA PHE 24 4.028 -4.284 2.281 165 1HB PHE 24 1HB PHE 24 4.815 -3.719 -0.600 166 2HB PHE 24 2HB PHE 24 5.374 -5.084 0.322 167 HD1 PHE 24 1HD PHE 24 2.963 -4.094 -2.025 168 HD2 PHE 24 2HD PHE 24 3.544 -6.605 1.433 169 HE1 PHE 24 1HE PHE 24 1.388 -5.747 -2.965 170 HE2 PHE 24 2HE PHE 24 1.998 -8.278 0.471 171 HZ PHE 24 HZ PHE 24 1.026 -7.928 -1.752 172 H TRP 25 H TRP 25 5.595 -3.842 3.698 173 HA TRP 25 HA TRP 25 8.058 -2.560 2.729 174 1HB TRP 25 1HB TRP 25 8.318 -1.198 4.655 175 2HB TRP 25 2HB TRP 25 6.718 -0.841 4.031 176 HD1 TRP 25 HD TRP 25 4.674 -2.262 5.396 177 HE1 TRP 25 1HE TRP 25 4.459 -2.842 7.885 178 HE3 TRP 25 3HE TRP 25 9.478 -1.293 6.871 179 HZ2 TRP 25 2HZ TRP 25 6.246 -3.111 10.187 180 HZ3 TRP 25 3HZ TRP 25 10.183 -1.696 9.204 181 HH2 TRP 25 HH TRP 25 8.583 -2.637 10.859 182 H ALA 26 H ALA 26 9.664 -3.053 4.925 183 HA ALA 26 HA ALA 26 9.020 -5.388 6.396 184 1HB ALA 26 1HB ALA 26 10.910 -6.788 5.594 185 2HB ALA 26 2HB ALA 26 9.753 -6.528 4.289 186 3HB ALA 26 3HB ALA 26 11.263 -5.588 4.325 187 H ALA 27 H ALA 27 10.968 -5.835 7.862 188 HA ALA 27 HA ALA 27 11.800 -3.365 8.970 189 1HB ALA 27 1HB ALA 27 13.007 -4.761 10.592 190 2HB ALA 27 2HB ALA 27 11.377 -5.384 10.284 191 3HB ALA 27 3HB ALA 27 12.788 -6.184 9.547 192 H TRP 28 H TRP 28 13.253 -4.902 6.292 193 HA TRP 28 HA TRP 28 15.955 -3.892 7.008 194 1HB TRP 28 1HB TRP 28 16.842 -5.697 6.142 195 2HB TRP 28 2HB TRP 28 15.250 -6.398 6.276 196 HD1 TRP 28 HD TRP 28 17.776 -5.020 3.820 197 HE1 TRP 28 1HE TRP 28 17.134 -5.499 1.397 198 HE3 TRP 28 3HE TRP 28 13.205 -7.213 4.603 199 HZ2 TRP 28 2HZ TRP 28 14.788 -6.379 -0.045 200 HZ3 TRP 28 3HZ TRP 28 11.765 -7.815 2.658 201 HH2 TRP 28 HH TRP 28 12.539 -7.330 0.351 202 H CYS 29 H CYS 29 13.368 -3.180 4.769 203 HA CYS 29 HA CYS 29 15.010 -2.818 2.472 204 1HB CYS 29 1HB CYS 29 12.841 -2.026 1.437 205 2HB CYS 29 2HB CYS 29 12.971 -3.656 2.048 206 H GLY 30 H GLY 30 16.138 -1.084 4.196 207 1HA GLY 30 1HA GLY 30 16.627 1.126 4.760 208 2HA GLY 30 2HA GLY 30 17.021 1.084 3.053 209 HA PRO 31 HA PRO 31 14.440 4.637 2.604 210 1HB PRO 31 1HB PRO 31 13.357 4.336 0.064 211 2HB PRO 31 2HB PRO 31 15.036 4.860 0.420 212 1HG PRO 31 1HG PRO 31 14.046 2.080 -0.269 213 2HG PRO 31 2HG PRO 31 15.462 2.954 -0.943 214 1HD PRO 31 1HD PRO 31 15.770 1.136 1.025 215 2HD PRO 31 2HD PRO 31 16.704 2.661 1.065 216 H CYS 32 H CYS 32 12.840 1.476 2.261 217 HA CYS 32 HA CYS 32 10.142 2.452 2.306 218 1HB CYS 32 1HB CYS 32 9.503 0.313 3.106 219 2HB CYS 32 2HB CYS 32 10.802 0.083 1.942 220 H ARG 33 H ARG 33 12.617 2.256 4.832 221 HA ARG 33 HA ARG 33 10.852 2.775 7.058 222 1HB ARG 33 1HB ARG 33 13.125 1.599 6.996 223 2HB ARG 33 2HB ARG 33 13.842 3.210 6.868 224 1HG ARG 33 1HG ARG 33 12.951 3.830 9.055 225 2HG ARG 33 2HG ARG 33 12.046 2.299 9.154 226 1HD ARG 33 1HD ARG 33 14.168 1.031 9.041 227 2HD ARG 33 2HD ARG 33 15.081 2.552 8.943 228 HE ARG 33 HE ARG 33 13.522 2.750 11.230 229 1HH1 ARG 33 2HH2 ARG 33 16.062 0.580 10.087 230 2HH1 ARG 33 1HH2 ARG 33 16.687 0.200 11.653 231 1HH2 ARG 33 2HH1 ARG 33 14.320 2.252 13.349 232 2HH2 ARG 33 1HH1 ARG 33 15.657 1.183 13.551 233 H MET 34 H MET 34 12.257 4.821 4.580 234 HA MET 34 HA MET 34 11.702 7.238 6.161 235 1HB MET 34 1HB MET 34 13.277 8.337 4.987 236 2HB MET 34 2HB MET 34 13.922 6.717 4.783 237 1HG MET 34 1HG MET 34 12.577 6.709 2.543 238 2HG MET 34 2HG MET 34 12.446 8.445 2.794 239 1HE MET 34 1HE MET 34 13.645 7.090 0.220 240 2HE MET 34 2HE MET 34 13.576 8.854 0.440 241 3HE MET 34 3HE MET 34 15.093 8.082 -0.073 242 H MET 35 H MET 35 10.429 5.228 3.684 243 HA MET 35 HA MET 35 8.491 7.088 2.646 244 1HB MET 35 1HB MET 35 9.416 4.767 1.649 245 2HB MET 35 2HB MET 35 8.084 4.092 2.588 246 1HG MET 35 1HG MET 35 6.508 5.599 1.444 247 2HG MET 35 2HG MET 35 7.836 6.360 0.561 248 1HE MET 35 1HE MET 35 5.736 4.324 -2.111 249 2HE MET 35 2HE MET 35 5.190 5.242 -0.690 250 3HE MET 35 3HE MET 35 6.442 5.924 -1.750 251 H ALA 36 H ALA 36 8.598 4.571 5.237 252 HA ALA 36 HA ALA 36 6.004 4.603 6.086 253 1HB ALA 36 1HB ALA 36 8.498 4.553 7.831 254 2HB ALA 36 2HB ALA 36 6.863 4.094 8.355 255 3HB ALA 36 3HB ALA 36 7.680 3.175 7.075 256 HA PRO 37 HA PRO 37 6.161 8.723 8.440 257 1HB PRO 37 1HB PRO 37 8.222 10.513 8.082 258 2HB PRO 37 2HB PRO 37 8.172 9.283 9.382 259 1HG PRO 37 1HG PRO 37 9.592 9.140 6.727 260 2HG PRO 37 2HG PRO 37 10.228 8.708 8.343 261 1HD PRO 37 1HD PRO 37 9.278 6.795 6.668 262 2HD PRO 37 2HD PRO 37 8.987 6.710 8.420 263 H VAL 38 H VAL 38 7.591 8.706 5.036 264 HA VAL 38 HA VAL 38 6.154 11.155 4.454 265 HB VAL 38 HB VAL 38 8.087 9.799 3.108 266 1HG1 VAL 38 1HG1 VAL 38 6.536 8.113 2.119 267 2HG1 VAL 38 2HG1 VAL 38 5.619 9.421 1.356 268 3HG1 VAL 38 3HG1 VAL 38 7.310 9.131 0.907 269 1HG2 VAL 38 1HG2 VAL 38 6.137 11.841 1.973 270 2HG2 VAL 38 2HG2 VAL 38 7.583 12.183 2.946 271 3HG2 VAL 38 3HG2 VAL 38 7.760 11.480 1.332 272 H LEU 39 H LEU 39 5.223 7.780 4.551 273 HA LEU 39 HA LEU 39 2.643 8.073 3.427 274 1HB LEU 39 1HB LEU 39 4.194 6.001 4.920 275 2HB LEU 39 2HB LEU 39 2.475 5.834 4.964 276 HG LEU 39 HG LEU 39 2.262 5.191 2.817 277 1HD1 LEU 39 1HD1 LEU 39 3.748 5.709 0.914 278 2HD1 LEU 39 2HD1 LEU 39 2.979 7.135 1.578 279 3HD1 LEU 39 3HD1 LEU 39 4.684 6.801 1.961 280 1HD2 LEU 39 1HD2 LEU 39 4.183 3.761 2.151 281 2HD2 LEU 39 2HD2 LEU 39 5.218 4.592 3.321 282 3HD2 LEU 39 3HD2 LEU 39 3.828 3.626 3.874 283 H GLU 40 H GLU 40 3.855 9.139 6.495 284 HA GLU 40 HA GLU 40 1.223 8.967 7.778 285 1HB GLU 40 1HB GLU 40 3.644 8.961 8.859 286 2HB GLU 40 2HB GLU 40 3.521 10.705 8.728 287 1HG GLU 40 1HG GLU 40 2.735 10.074 10.917 288 2HG GLU 40 2HG GLU 40 1.297 10.527 9.995 289 H GLU 41 H GLU 41 3.278 11.389 6.128 290 HA GLU 41 HA GLU 41 1.326 13.513 6.116 291 1HB GLU 41 1HB GLU 41 3.908 13.551 5.641 292 2HB GLU 41 2HB GLU 41 3.462 13.044 4.017 293 1HG GLU 41 1HG GLU 41 1.790 15.178 4.271 294 2HG GLU 41 2HG GLU 41 3.018 15.667 5.433 295 H PHE 42 H PHE 42 1.592 10.530 4.399 296 HA PHE 42 HA PHE 42 -0.386 11.260 2.339 297 1HB PHE 42 1HB PHE 42 1.508 9.601 1.951 298 2HB PHE 42 2HB PHE 42 0.681 8.540 3.095 299 HD1 PHE 42 1HD PHE 42 0.218 6.647 1.811 300 HD2 PHE 42 2HD PHE 42 -0.890 10.556 0.352 301 HE1 PHE 42 1HE PHE 42 -1.111 5.612 0.014 302 HE2 PHE 42 2HE PHE 42 -2.178 9.478 -1.484 303 HZ PHE 42 HZ PHE 42 -2.384 7.080 -1.612 304 H ALA 43 H ALA 43 -0.341 9.292 5.361 305 HA ALA 43 HA ALA 43 -2.946 8.396 5.341 306 1HB ALA 43 1HB ALA 43 -1.428 9.421 7.768 307 2HB ALA 43 2HB ALA 43 -2.812 8.319 7.772 308 3HB ALA 43 3HB ALA 43 -1.273 7.802 7.055 309 H GLU 44 H GLU 44 -1.837 11.580 6.508 310 HA GLU 44 HA GLU 44 -4.289 12.637 7.356 311 1HB GLU 44 1HB GLU 44 -2.032 13.620 7.724 312 2HB GLU 44 2HB GLU 44 -1.976 14.112 6.024 313 1HG GLU 44 1HG GLU 44 -4.001 15.537 6.394 314 2HG GLU 44 2HG GLU 44 -4.036 15.030 8.086 315 H ALA 45 H ALA 45 -2.936 12.574 4.064 316 HA ALA 45 HA ALA 45 -4.796 14.366 2.842 317 1HB ALA 45 1HB ALA 45 -3.225 12.097 1.540 318 2HB ALA 45 2HB ALA 45 -3.888 13.525 0.738 319 3HB ALA 45 3HB ALA 45 -2.558 13.706 1.907 320 H HIS 46 H HIS 46 -5.293 11.175 3.976 321 HA HIS 46 HA HIS 46 -7.944 11.030 2.766 322 1HB HIS 46 1HB HIS 46 -7.427 8.785 1.775 323 2HB HIS 46 2HB HIS 46 -6.602 10.124 1.001 324 HD1 HIS 46 1HD HIS 46 -5.618 7.882 3.978 325 HD2 HIS 46 2HD HIS 46 -4.244 9.404 0.298 326 HE1 HIS 46 1HE HIS 46 -3.183 6.935 3.608 327 HE2 HIS 46 2HE HIS 46 -2.422 7.887 1.324 328 H ALA 47 H ALA 47 -7.346 11.500 5.379 329 HA ALA 47 HA ALA 47 -6.637 9.566 7.093 330 1HB ALA 47 1HB ALA 47 -7.139 11.879 7.734 331 2HB ALA 47 2HB ALA 47 -8.883 11.572 7.561 332 3HB ALA 47 3HB ALA 47 -7.949 10.729 8.818 333 H ASP 48 H ASP 48 -10.070 9.974 6.091 334 HA ASP 48 HA ASP 48 -10.413 7.053 6.567 335 1HB ASP 48 1HB ASP 48 -11.605 8.549 8.216 336 2HB ASP 48 2HB ASP 48 -12.601 9.121 6.873 337 H LYS 49 H LYS 49 -10.285 9.382 4.190 338 HA LYS 49 HA LYS 49 -12.310 8.722 2.340 339 1HB LYS 49 1HB LYS 49 -10.737 10.670 2.223 340 2HB LYS 49 2HB LYS 49 -9.433 9.547 1.871 341 1HG LYS 49 1HG LYS 49 -10.817 8.884 -0.235 342 2HG LYS 49 2HG LYS 49 -11.728 10.366 0.077 343 1HD LYS 49 1HD LYS 49 -8.696 10.158 -0.300 344 2HD LYS 49 2HD LYS 49 -9.839 10.568 -1.571 345 1HE LYS 49 1HE LYS 49 -10.431 12.634 -0.558 346 2HE LYS 49 2HE LYS 49 -9.605 12.240 0.962 347 1HZ LYS 49 1HZ LYS 49 -8.415 13.759 -0.634 348 2HZ LYS 49 2HZ LYS 49 -7.523 12.521 -0.049 349 3HZ LYS 49 3HZ LYS 49 -8.169 12.459 -1.601 350 H VAL 50 H VAL 50 -9.392 6.920 3.213 351 HA VAL 50 HA VAL 50 -10.211 4.734 1.438 352 HB VAL 50 HB VAL 50 -7.989 4.350 0.571 353 1HG1 VAL 50 1HG1 VAL 50 -8.540 7.291 0.089 354 2HG1 VAL 50 2HG1 VAL 50 -7.705 6.135 -0.976 355 3HG1 VAL 50 3HG1 VAL 50 -9.438 5.974 -0.681 356 1HG2 VAL 50 1HG2 VAL 50 -7.146 6.626 2.361 357 2HG2 VAL 50 2HG2 VAL 50 -6.472 4.998 2.246 358 3HG2 VAL 50 3HG2 VAL 50 -6.177 6.161 0.947 359 H THR 51 H THR 51 -8.736 2.754 2.004 360 HA THR 51 HA THR 51 -7.882 2.830 4.789 361 HB THR 51 HB THR 51 -9.543 0.844 3.393 362 HG1 THR 51 1HG THR 51 -9.281 1.753 6.072 363 1HG2 THR 51 1HG2 THR 51 -7.592 0.058 5.602 364 2HG2 THR 51 2HG2 THR 51 -9.020 -0.894 5.112 365 3HG2 THR 51 3HG2 THR 51 -7.707 -0.645 3.974 366 H VAL 52 H VAL 52 -5.775 3.351 4.502 367 HA VAL 52 HA VAL 52 -4.196 1.620 2.714 368 HB VAL 52 HB VAL 52 -3.421 3.777 2.738 369 1HG1 VAL 52 1HG1 VAL 52 -4.271 4.760 4.804 370 2HG1 VAL 52 2HG1 VAL 52 -3.175 3.738 5.751 371 3HG1 VAL 52 3HG1 VAL 52 -2.515 4.997 4.710 372 1HG2 VAL 52 1HG2 VAL 52 -1.095 3.561 3.305 373 2HG2 VAL 52 2HG2 VAL 52 -1.448 2.253 4.444 374 3HG2 VAL 52 3HG2 VAL 52 -1.697 2.019 2.695 375 H ALA 53 H ALA 53 -2.843 0.089 3.458 376 HA ALA 53 HA ALA 53 -2.903 -0.461 6.322 377 1HB ALA 53 1HB ALA 53 -4.936 -1.596 5.360 378 2HB ALA 53 2HB ALA 53 -3.845 -2.578 4.359 379 3HB ALA 53 3HB ALA 53 -3.811 -2.694 6.151 380 H LYS 54 H LYS 54 -0.865 -0.631 6.863 381 HA LYS 54 HA LYS 54 1.068 -1.565 4.855 382 1HB LYS 54 1HB LYS 54 2.801 -0.660 6.302 383 2HB LYS 54 2HB LYS 54 1.573 0.535 5.895 384 1HG LYS 54 1HG LYS 54 0.537 0.211 8.156 385 2HG LYS 54 2HG LYS 54 1.884 -0.875 8.575 386 1HD LYS 54 1HD LYS 54 3.502 0.947 8.187 387 2HD LYS 54 2HD LYS 54 2.200 2.015 7.625 388 1HE LYS 54 1HE LYS 54 1.126 1.827 9.888 389 2HE LYS 54 2HE LYS 54 2.531 0.901 10.440 390 1HZ LYS 54 1HZ LYS 54 3.904 2.833 9.930 391 2HZ LYS 54 2HZ LYS 54 2.589 3.686 9.428 392 3HZ LYS 54 3HZ LYS 54 2.722 3.244 10.996 393 H LEU 55 H LEU 55 2.470 -3.294 5.100 394 HA LEU 55 HA LEU 55 2.477 -4.793 7.588 395 1HB LEU 55 1HB LEU 55 1.755 -6.873 6.802 396 2HB LEU 55 2HB LEU 55 0.506 -5.721 6.430 397 HG LEU 55 HG LEU 55 2.516 -6.917 4.454 398 1HD1 LEU 55 1HD1 LEU 55 0.821 -8.491 5.361 399 2HD1 LEU 55 2HD1 LEU 55 -0.465 -7.464 4.722 400 3HD1 LEU 55 3HD1 LEU 55 0.689 -8.233 3.615 401 1HD2 LEU 55 1HD2 LEU 55 1.879 -4.758 3.556 402 2HD2 LEU 55 2HD2 LEU 55 1.018 -6.000 2.667 403 3HD2 LEU 55 3HD2 LEU 55 0.162 -5.049 3.905 404 H ASN 56 H ASN 56 4.004 -6.473 7.648 405 HA ASN 56 HA ASN 56 6.471 -5.945 6.208 406 1HB ASN 56 1HB ASN 56 6.543 -6.398 8.604 407 2HB ASN 56 2HB ASN 56 5.629 -7.902 8.391 408 1HD2 ASN 56 1HD2 ASN 56 7.258 -9.158 9.418 409 2HD2 ASN 56 2HD2 ASN 56 8.796 -9.462 8.592 410 H VAL 57 H VAL 57 6.548 -6.688 4.169 411 HA VAL 57 HA VAL 57 4.827 -8.657 3.114 412 HB VAL 57 HB VAL 57 5.932 -6.753 1.969 413 1HG1 VAL 57 1HG1 VAL 57 8.331 -8.645 1.763 414 2HG1 VAL 57 2HG1 VAL 57 8.113 -7.177 0.837 415 3HG1 VAL 57 3HG1 VAL 57 8.282 -7.081 2.603 416 1HG2 VAL 57 1HG2 VAL 57 5.896 -7.712 -0.168 417 2HG2 VAL 57 2HG2 VAL 57 6.321 -9.329 0.438 418 3HG2 VAL 57 3HG2 VAL 57 4.723 -8.638 0.787 419 H ASP 58 H ASP 58 8.018 -9.000 4.557 420 HA ASP 58 HA ASP 58 8.804 -11.529 3.474 421 1HB ASP 58 1HB ASP 58 10.226 -9.843 4.651 422 2HB ASP 58 2HB ASP 58 9.406 -10.257 6.151 423 H GLU 59 H GLU 59 6.710 -10.531 6.019 424 HA GLU 59 HA GLU 59 6.424 -13.186 7.271 425 1HB GLU 59 1HB GLU 59 6.959 -11.329 8.605 426 2HB GLU 59 2HB GLU 59 5.683 -10.338 7.889 427 1HG GLU 59 1HG GLU 59 3.973 -11.677 9.016 428 2HG GLU 59 2HG GLU 59 5.235 -12.682 9.745 429 H ASN 60 H ASN 60 4.694 -11.066 5.110 430 HA ASN 60 HA ASN 60 2.347 -12.921 5.266 431 1HB ASN 60 1HB ASN 60 1.548 -10.700 5.517 432 2HB ASN 60 2HB ASN 60 2.405 -10.162 4.043 433 1HD2 ASN 60 1HD2 ASN 60 0.978 -10.169 2.187 434 2HD2 ASN 60 2HD2 ASN 60 -0.177 -11.444 1.910 435 HA PRO 61 HA PRO 61 4.188 -14.219 1.279 436 1HB PRO 61 1HB PRO 61 3.635 -16.889 1.502 437 2HB PRO 61 2HB PRO 61 5.088 -16.125 2.219 438 1HG PRO 61 1HG PRO 61 2.454 -16.773 3.587 439 2HG PRO 61 2HG PRO 61 4.116 -17.146 4.153 440 1HD PRO 61 1HD PRO 61 2.739 -14.963 5.041 441 2HD PRO 61 2HD PRO 61 4.502 -14.897 4.783 442 H GLU 62 H GLU 62 1.012 -14.321 2.829 443 HA GLU 62 HA GLU 62 -0.421 -15.761 0.855 444 1HB GLU 62 1HB GLU 62 -1.039 -15.176 3.306 445 2HB GLU 62 2HB GLU 62 -1.660 -13.655 2.653 446 1HG GLU 62 1HG GLU 62 -2.536 -16.454 1.837 447 2HG GLU 62 2HG GLU 62 -3.409 -15.384 2.929 448 H THR 63 H THR 63 -0.727 -15.177 -1.132 449 HA THR 63 HA THR 63 -1.038 -14.167 -3.045 450 HB THR 63 HB THR 63 -2.641 -12.408 -1.199 451 HG1 THR 63 1HG THR 63 -3.329 -14.525 -1.432 452 1HG2 THR 63 1HG2 THR 63 -2.656 -12.342 -4.243 453 2HG2 THR 63 2HG2 THR 63 -3.875 -11.609 -3.172 454 3HG2 THR 63 3HG2 THR 63 -2.208 -11.006 -3.166 455 H THR 64 H THR 64 0.814 -12.448 -0.802 456 HA THR 64 HA THR 64 2.310 -10.648 -2.384 457 HB THR 64 HB THR 64 3.164 -12.730 -0.343 458 HG1 THR 64 1HG THR 64 2.862 -11.271 1.130 459 1HG2 THR 64 1HG2 THR 64 5.165 -11.895 -1.559 460 2HG2 THR 64 2HG2 THR 64 4.700 -10.241 -1.100 461 3HG2 THR 64 3HG2 THR 64 5.128 -11.428 0.145 462 H SER 65 H SER 65 2.693 -14.213 -1.964 463 HA SER 65 HA SER 65 4.631 -14.431 -4.083 464 1HB SER 65 1HB SER 65 4.498 -15.969 -2.114 465 2HB SER 65 2HB SER 65 2.970 -16.611 -2.754 466 HG SER 65 HG SER 65 4.309 -16.912 -4.762 467 H GLN 66 H GLN 66 1.259 -13.936 -4.351 468 HA GLN 66 HA GLN 66 1.010 -15.492 -6.840 469 1HB GLN 66 1HB GLN 66 -0.775 -15.497 -5.138 470 2HB GLN 66 2HB GLN 66 -0.998 -13.768 -5.327 471 1HG GLN 66 1HG GLN 66 -1.229 -15.586 -7.747 472 2HG GLN 66 2HG GLN 66 -2.565 -15.447 -6.604 473 1HE2 GLN 66 1HE2 GLN 66 -3.349 -13.151 -6.080 474 2HE2 GLN 66 2HE2 GLN 66 -3.207 -11.962 -7.368 475 H PHE 67 H PHE 67 0.883 -12.008 -5.654 476 HA PHE 67 HA PHE 67 0.691 -11.167 -8.460 477 1HB PHE 67 1HB PHE 67 0.658 -9.682 -5.823 478 2HB PHE 67 2HB PHE 67 0.686 -8.847 -7.368 479 HD1 PHE 67 1HD PHE 67 -1.469 -9.739 -4.867 480 HD2 PHE 67 2HD PHE 67 -1.148 -9.921 -9.159 481 HE1 PHE 67 1HE PHE 67 -3.949 -9.783 -5.057 482 HE2 PHE 67 2HE PHE 67 -3.613 -9.949 -9.346 483 HZ PHE 67 HZ PHE 67 -5.027 -9.871 -7.291 484 H GLY 68 H GLY 68 3.235 -12.489 -7.321 485 1HA GLY 68 1HA GLY 68 5.483 -12.360 -7.812 486 2HA GLY 68 2HA GLY 68 5.062 -11.097 -8.982 487 H ILE 69 H ILE 69 4.466 -10.895 -5.473 488 HA ILE 69 HA ILE 69 5.657 -8.255 -5.422 489 HB ILE 69 HB ILE 69 4.404 -9.966 -3.270 490 1HG1 ILE 69 1HG1 ILE 69 2.783 -9.604 -5.044 491 2HG1 ILE 69 2HG1 ILE 69 2.333 -8.724 -3.605 492 1HG2 ILE 69 1HG2 ILE 69 4.818 -6.963 -3.239 493 2HG2 ILE 69 2HG2 ILE 69 4.006 -7.966 -2.012 494 3HG2 ILE 69 3HG2 ILE 69 5.728 -8.169 -2.305 495 1HD1 ILE 69 1HD1 ILE 69 1.933 -7.409 -5.627 496 2HD1 ILE 69 2HD1 ILE 69 3.124 -6.609 -4.596 497 3HD1 ILE 69 3HD1 ILE 69 3.651 -7.477 -6.055 498 H MET 70 H MET 70 7.743 -8.949 -6.046 499 HA MET 70 HA MET 70 9.442 -10.135 -3.914 500 1HB MET 70 1HB MET 70 10.859 -10.894 -5.674 501 2HB MET 70 2HB MET 70 9.192 -11.371 -6.015 502 1HG MET 70 1HG MET 70 9.019 -9.450 -7.618 503 2HG MET 70 2HG MET 70 10.715 -9.071 -7.310 504 1HE MET 70 1HE MET 70 10.644 -10.477 -10.979 505 2HE MET 70 2HE MET 70 9.342 -9.566 -10.178 506 3HE MET 70 3HE MET 70 11.041 -9.088 -9.942 507 H SER 71 H SER 71 8.667 -7.152 -4.436 508 HA SER 71 HA SER 71 11.211 -6.170 -3.502 509 1HB SER 71 1HB SER 71 10.146 -5.193 -6.187 510 2HB SER 71 2HB SER 71 11.360 -4.320 -5.226 511 HG SER 71 HG SER 71 11.874 -7.025 -5.568 512 H ILE 72 H ILE 72 11.024 -3.866 -2.706 513 HA ILE 72 HA ILE 72 8.476 -2.809 -2.135 514 HB ILE 72 HB ILE 72 9.080 -2.995 0.348 515 1HG1 ILE 72 1HG1 ILE 72 10.897 -5.252 -0.581 516 2HG1 ILE 72 2HG1 ILE 72 11.385 -3.724 0.158 517 1HG2 ILE 72 1HG2 ILE 72 7.247 -4.240 -0.876 518 2HG2 ILE 72 2HG2 ILE 72 8.327 -5.646 -0.899 519 3HG2 ILE 72 3HG2 ILE 72 7.794 -4.937 0.648 520 1HD1 ILE 72 1HD1 ILE 72 9.764 -4.499 2.111 521 2HD1 ILE 72 2HD1 ILE 72 10.047 -6.103 1.396 522 3HD1 ILE 72 3HD1 ILE 72 11.403 -5.147 1.978 523 HA PRO 73 HA PRO 73 8.200 -1.154 -0.023 524 1HB PRO 73 1HB PRO 73 7.634 1.475 -0.284 525 2HB PRO 73 2HB PRO 73 8.713 0.817 0.969 526 1HG PRO 73 1HG PRO 73 9.471 2.093 -1.665 527 2HG PRO 73 2HG PRO 73 10.210 2.372 -0.061 528 1HD PRO 73 1HD PRO 73 11.298 0.682 -1.931 529 2HD PRO 73 2HD PRO 73 11.426 0.348 -0.183 530 H THR 74 H THR 74 6.461 -1.803 -1.032 531 HA THR 74 HA THR 74 5.744 -0.720 -3.725 532 HB THR 74 HB THR 74 5.544 -3.572 -2.686 533 HG1 THR 74 1HG THR 74 7.300 -3.872 -3.841 534 1HG2 THR 74 1HG2 THR 74 4.786 -4.133 -4.996 535 2HG2 THR 74 2HG2 THR 74 3.603 -3.152 -4.118 536 3HG2 THR 74 3HG2 THR 74 4.629 -2.398 -5.351 537 H LEU 75 H LEU 75 3.627 -0.108 -4.043 538 HA LEU 75 HA LEU 75 1.721 -0.273 -1.753 539 1HB LEU 75 1HB LEU 75 2.951 1.823 -1.723 540 2HB LEU 75 2HB LEU 75 2.384 2.209 -3.342 541 HG LEU 75 HG LEU 75 0.341 1.417 -1.232 542 1HD1 LEU 75 1HD1 LEU 75 0.231 3.699 -0.397 543 2HD1 LEU 75 2HD1 LEU 75 1.827 3.012 -0.115 544 3HD1 LEU 75 3HD1 LEU 75 1.609 4.163 -1.440 545 1HD2 LEU 75 1HD2 LEU 75 0.278 3.460 -3.505 546 2HD2 LEU 75 2HD2 LEU 75 -0.489 1.860 -3.535 547 3HD2 LEU 75 3HD2 LEU 75 -1.061 3.082 -2.408 548 H ILE 76 H ILE 76 -0.036 -1.344 -2.541 549 HA ILE 76 HA ILE 76 -0.722 -0.924 -5.420 550 HB ILE 76 HB ILE 76 -1.009 -3.519 -3.926 551 1HG1 ILE 76 1HG1 ILE 76 1.159 -2.557 -5.818 552 2HG1 ILE 76 2HG1 ILE 76 1.332 -3.225 -4.195 553 1HG2 ILE 76 1HG2 ILE 76 -2.663 -3.121 -5.784 554 2HG2 ILE 76 2HG2 ILE 76 -1.292 -2.988 -6.911 555 3HG2 ILE 76 3HG2 ILE 76 -1.621 -4.503 -6.058 556 1HD1 ILE 76 1HD1 ILE 76 2.107 -4.845 -5.742 557 2HD1 ILE 76 2HD1 ILE 76 0.564 -5.448 -5.086 558 3HD1 ILE 76 3HD1 ILE 76 0.637 -4.752 -6.722 559 H LEU 77 H LEU 77 -2.736 -0.483 -5.784 560 HA LEU 77 HA LEU 77 -4.593 -0.154 -3.466 561 1HB LEU 77 1HB LEU 77 -3.897 1.882 -4.814 562 2HB LEU 77 2HB LEU 77 -4.842 1.247 -6.164 563 HG LEU 77 HG LEU 77 -6.016 1.633 -3.396 564 1HD1 LEU 77 1HD1 LEU 77 -5.009 3.757 -3.997 565 2HD1 LEU 77 2HD1 LEU 77 -5.835 3.742 -5.562 566 3HD1 LEU 77 3HD1 LEU 77 -6.767 3.877 -4.044 567 1HD2 LEU 77 1HD2 LEU 77 -7.326 1.718 -6.150 568 2HD2 LEU 77 2HD2 LEU 77 -7.488 0.399 -4.972 569 3HD2 LEU 77 3HD2 LEU 77 -8.152 1.979 -4.600 570 H PHE 78 H PHE 78 -6.354 -1.452 -3.429 571 HA PHE 78 HA PHE 78 -6.927 -3.130 -5.824 572 1HB PHE 78 1HB PHE 78 -6.935 -3.950 -2.898 573 2HB PHE 78 2HB PHE 78 -7.573 -4.925 -4.200 574 HD1 PHE 78 1HD PHE 78 -6.152 -6.149 -5.737 575 HD2 PHE 78 2HD PHE 78 -4.474 -3.730 -2.593 576 HE1 PHE 78 1HE PHE 78 -3.989 -7.298 -6.012 577 HE2 PHE 78 2HE PHE 78 -2.336 -4.980 -2.786 578 HZ PHE 78 HZ PHE 78 -2.083 -6.763 -4.502 579 H LYS 79 H LYS 79 -9.065 -3.667 -6.141 580 HA LYS 79 HA LYS 79 -10.942 -3.567 -3.990 581 1HB LYS 79 1HB LYS 79 -12.686 -2.247 -5.346 582 2HB LYS 79 2HB LYS 79 -11.503 -1.407 -4.361 583 1HG LYS 79 1HG LYS 79 -10.164 -0.888 -6.382 584 2HG LYS 79 2HG LYS 79 -11.354 -1.751 -7.384 585 1HD LYS 79 1HD LYS 79 -11.857 0.598 -7.540 586 2HD LYS 79 2HD LYS 79 -13.096 -0.137 -6.514 587 1HE LYS 79 1HE LYS 79 -11.331 0.544 -4.580 588 2HE LYS 79 2HE LYS 79 -10.823 1.728 -5.790 589 1HZ LYS 79 1HZ LYS 79 -13.525 1.316 -4.681 590 2HZ LYS 79 2HZ LYS 79 -12.541 2.597 -4.339 591 3HZ LYS 79 3HZ LYS 79 -13.187 2.438 -5.855 592 H GLY 80 H GLY 80 -12.863 -4.778 -4.530 593 1HA GLY 80 1HA GLY 80 -13.825 -6.679 -5.399 594 2HA GLY 80 2HA GLY 80 -13.201 -6.224 -6.992 595 H GLY 81 H GLY 81 -10.720 -6.467 -4.611 596 1HA GLY 81 1HA GLY 81 -9.122 -8.104 -4.176 597 2HA GLY 81 2HA GLY 81 -9.987 -9.252 -5.197 598 H GLU 82 H GLU 82 -9.698 -6.340 -7.003 599 HA GLU 82 HA GLU 82 -7.464 -7.561 -8.497 600 1HB GLU 82 1HB GLU 82 -9.745 -7.443 -9.505 601 2HB GLU 82 2HB GLU 82 -9.662 -5.677 -9.429 602 1HG GLU 82 1HG GLU 82 -7.702 -5.691 -10.934 603 2HG GLU 82 2HG GLU 82 -7.679 -7.462 -10.910 604 HA PRO 83 HA PRO 83 -5.181 -3.870 -7.362 605 1HB PRO 83 1HB PRO 83 -3.002 -4.063 -8.999 606 2HB PRO 83 2HB PRO 83 -3.287 -5.140 -7.599 607 1HG PRO 83 1HG PRO 83 -3.902 -5.699 -10.509 608 2HG PRO 83 2HG PRO 83 -3.068 -6.755 -9.323 609 1HD PRO 83 1HD PRO 83 -5.718 -7.014 -9.892 610 2HD PRO 83 2HD PRO 83 -5.088 -7.297 -8.244 611 H VAL 84 H VAL 84 -6.075 -2.004 -7.881 612 HA VAL 84 HA VAL 84 -6.819 -1.133 -10.562 613 HB VAL 84 HB VAL 84 -6.866 0.068 -7.835 614 1HG1 VAL 84 1HG1 VAL 84 -7.797 1.430 -10.379 615 2HG1 VAL 84 2HG1 VAL 84 -8.177 1.974 -8.727 616 3HG1 VAL 84 3HG1 VAL 84 -6.502 1.987 -9.289 617 1HG2 VAL 84 1HG2 VAL 84 -9.043 -0.803 -9.776 618 2HG2 VAL 84 2HG2 VAL 84 -8.601 -1.602 -8.256 619 3HG2 VAL 84 3HG2 VAL 84 -9.341 0.014 -8.236 620 H LYS 85 H LYS 85 -4.105 -0.599 -8.275 621 HA LYS 85 HA LYS 85 -2.460 0.377 -10.453 622 1HB LYS 85 1HB LYS 85 -3.732 2.293 -8.613 623 2HB LYS 85 2HB LYS 85 -1.985 2.344 -8.439 624 1HG LYS 85 1HG LYS 85 -1.683 2.684 -10.847 625 2HG LYS 85 2HG LYS 85 -3.424 2.585 -11.124 626 1HD LYS 85 1HD LYS 85 -2.105 4.646 -9.322 627 2HD LYS 85 2HD LYS 85 -2.446 4.944 -11.015 628 1HE LYS 85 1HE LYS 85 -4.646 4.080 -9.095 629 2HE LYS 85 2HE LYS 85 -4.170 5.782 -9.275 630 1HZ LYS 85 1HZ LYS 85 -4.904 5.884 -11.384 631 2HZ LYS 85 2HZ LYS 85 -4.936 4.211 -11.646 632 3HZ LYS 85 3HZ LYS 85 -6.048 5.080 -10.744 633 H GLN 86 H GLN 86 -0.173 0.553 -9.747 634 HA GLN 86 HA GLN 86 0.576 -0.721 -7.228 635 1HB GLN 86 1HB GLN 86 0.470 -2.660 -8.625 636 2HB GLN 86 2HB GLN 86 1.147 -1.787 -10.013 637 1HG GLN 86 1HG GLN 86 3.342 -1.657 -8.905 638 2HG GLN 86 2HG GLN 86 2.714 -2.486 -7.488 639 1HE2 GLN 86 1HE2 GLN 86 2.745 -4.810 -7.536 640 2HE2 GLN 86 2HE2 GLN 86 3.173 -5.682 -8.998 641 H LEU 87 H LEU 87 2.190 0.444 -6.450 642 HA LEU 87 HA LEU 87 3.876 2.151 -8.219 643 1HB LEU 87 1HB LEU 87 2.600 2.617 -5.499 644 2HB LEU 87 2HB LEU 87 4.034 3.491 -6.001 645 HG LEU 87 HG LEU 87 2.856 4.540 -7.839 646 1HD1 LEU 87 1HD1 LEU 87 0.432 2.913 -6.938 647 2HD1 LEU 87 2HD1 LEU 87 0.293 4.408 -7.889 648 3HD1 LEU 87 3HD1 LEU 87 1.130 3.036 -8.578 649 1HD2 LEU 87 1HD2 LEU 87 2.869 5.539 -5.647 650 2HD2 LEU 87 2HD2 LEU 87 1.355 5.930 -6.476 651 3HD2 LEU 87 3HD2 LEU 87 1.373 4.688 -5.200 652 H ILE 88 H ILE 88 6.070 1.968 -7.784 653 HA ILE 88 HA ILE 88 6.982 0.125 -5.671 654 HB ILE 88 HB ILE 88 8.574 -0.772 -7.475 655 1HG1 ILE 88 1HG1 ILE 88 6.384 0.189 -9.388 656 2HG1 ILE 88 2HG1 ILE 88 8.012 0.863 -9.296 657 1HG2 ILE 88 1HG2 ILE 88 6.763 -1.998 -6.352 658 2HG2 ILE 88 2HG2 ILE 88 5.627 -1.513 -7.624 659 3HG2 ILE 88 3HG2 ILE 88 7.018 -2.570 -7.991 660 1HD1 ILE 88 1HD1 ILE 88 7.927 -0.644 -11.150 661 2HD1 ILE 88 2HD1 ILE 88 8.933 -1.398 -9.893 662 3HD1 ILE 88 3HD1 ILE 88 7.258 -1.949 -10.164 663 H GLY 89 H GLY 89 8.435 1.052 -4.516 664 1HA GLY 89 1HA GLY 89 10.641 2.021 -4.299 665 2HA GLY 89 2HA GLY 89 10.315 3.060 -5.697 666 H TYR 90 H TYR 90 11.255 4.330 -3.613 667 HA TYR 90 HA TYR 90 9.255 5.465 -1.832 668 1HB TYR 90 1HB TYR 90 11.553 5.376 -1.115 669 2HB TYR 90 2HB TYR 90 12.077 6.261 -2.537 670 HD1 TYR 90 1HD TYR 90 11.934 8.698 -2.632 671 HD2 TYR 90 2HD TYR 90 10.300 6.538 0.708 672 HE1 TYR 90 1HE TYR 90 11.605 10.827 -1.442 673 HE2 TYR 90 2HE TYR 90 9.950 8.688 1.922 674 HH TYR 90 HH TYR 90 10.864 11.845 0.542 675 H GLN 91 H GLN 91 7.621 5.923 -3.447 676 HA GLN 91 HA GLN 91 8.159 8.181 -5.237 677 1HB GLN 91 1HB GLN 91 5.328 7.587 -4.578 678 2HB GLN 91 2HB GLN 91 6.089 7.961 -6.101 679 1HG GLN 91 1HG GLN 91 6.062 5.249 -4.717 680 2HG GLN 91 2HG GLN 91 5.109 5.746 -6.102 681 1HE2 GLN 91 1HE2 GLN 91 5.809 4.352 -7.742 682 2HE2 GLN 91 2HE2 GLN 91 7.540 3.977 -7.925 683 HA PRO 92 HA PRO 92 7.622 10.799 -1.566 684 1HB PRO 92 1HB PRO 92 7.801 13.292 -2.718 685 2HB PRO 92 2HB PRO 92 9.219 12.237 -2.423 686 1HG PRO 92 1HG PRO 92 7.651 12.578 -4.993 687 2HG PRO 92 2HG PRO 92 9.429 12.597 -4.772 688 1HD PRO 92 1HD PRO 92 8.094 10.364 -5.596 689 2HD PRO 92 2HD PRO 92 9.516 10.247 -4.517 690 H LYS 93 H LYS 93 5.952 12.287 -0.764 691 HA LYS 93 HA LYS 93 3.465 11.421 -1.129 692 1HB LYS 93 1HB LYS 93 4.756 13.454 0.354 693 2HB LYS 93 2HB LYS 93 3.476 14.320 -0.447 694 1HG LYS 93 1HG LYS 93 3.047 11.716 1.087 695 2HG LYS 93 2HG LYS 93 2.870 13.300 1.809 696 1HD LYS 93 1HD LYS 93 1.295 12.360 -0.632 697 2HD LYS 93 2HD LYS 93 0.750 12.219 1.014 698 1HE LYS 93 1HE LYS 93 1.281 14.829 -0.435 699 2HE LYS 93 2HE LYS 93 -0.300 14.123 -0.070 700 1HZ LYS 93 1HZ LYS 93 1.675 15.210 1.833 701 2HZ LYS 93 2HZ LYS 93 0.148 15.740 1.578 702 3HZ LYS 93 3HZ LYS 93 0.405 14.293 2.348 703 H GLU 94 H GLU 94 4.658 14.386 -2.606 704 HA GLU 94 HA GLU 94 2.372 15.147 -4.047 705 1HB GLU 94 1HB GLU 94 5.305 15.572 -4.747 706 2HB GLU 94 2HB GLU 94 3.953 16.480 -5.434 707 1HG GLU 94 1HG GLU 94 3.377 17.386 -3.224 708 2HG GLU 94 2HG GLU 94 4.659 16.435 -2.462 709 H GLN 95 H GLN 95 4.598 12.502 -4.840 710 HA GLN 95 HA GLN 95 3.757 12.463 -7.656 711 1HB GLN 95 1HB GLN 95 6.158 12.016 -6.807 712 2HB GLN 95 2HB GLN 95 5.575 10.541 -6.100 713 1HG GLN 95 1HG GLN 95 6.620 10.075 -8.250 714 2HG GLN 95 2HG GLN 95 4.914 9.642 -8.276 715 1HE2 GLN 95 1HE2 GLN 95 3.397 11.029 -9.511 716 2HE2 GLN 95 2HE2 GLN 95 4.071 12.079 -10.760 717 H LEU 96 H LEU 96 3.690 10.700 -4.663 718 HA LEU 96 HA LEU 96 2.262 8.389 -5.426 719 1HB LEU 96 1HB LEU 96 3.668 9.071 -3.330 720 2HB LEU 96 2HB LEU 96 2.108 9.504 -2.664 721 HG LEU 96 HG LEU 96 2.621 6.801 -3.951 722 1HD1 LEU 96 1HD1 LEU 96 4.301 7.088 -2.224 723 2HD1 LEU 96 2HD1 LEU 96 3.029 7.445 -1.030 724 3HD1 LEU 96 3HD1 LEU 96 3.124 5.839 -1.799 725 1HD2 LEU 96 1HD2 LEU 96 0.246 7.332 -3.567 726 2HD2 LEU 96 2HD2 LEU 96 0.768 6.055 -2.465 727 3HD2 LEU 96 3HD2 LEU 96 0.623 7.723 -1.875 728 H GLU 97 H GLU 97 0.915 11.328 -3.683 729 HA GLU 97 HA GLU 97 -1.806 10.494 -3.962 730 1HB GLU 97 1HB GLU 97 -0.286 12.939 -3.246 731 2HB GLU 97 2HB GLU 97 -1.842 13.235 -3.955 732 1HG GLU 97 1HG GLU 97 -1.349 11.554 -1.500 733 2HG GLU 97 2HG GLU 97 -1.789 13.248 -1.466 734 H ALA 98 H ALA 98 0.485 12.143 -6.202 735 HA ALA 98 HA ALA 98 -1.637 13.006 -7.997 736 1HB ALA 98 1HB ALA 98 0.502 14.152 -8.064 737 2HB ALA 98 2HB ALA 98 1.350 12.646 -8.495 738 3HB ALA 98 3HB ALA 98 0.199 13.386 -9.628 739 H GLN 99 H GLN 99 0.641 10.227 -8.027 740 HA GLN 99 HA GLN 99 -0.405 9.034 -10.420 741 1HB GLN 99 1HB GLN 99 1.793 8.535 -9.285 742 2HB GLN 99 2HB GLN 99 0.927 7.727 -7.994 743 1HG GLN 99 1HG GLN 99 1.850 6.095 -9.558 744 2HG GLN 99 2HG GLN 99 0.094 6.020 -9.565 745 1HE2 GLN 99 1HE2 GLN 99 2.640 7.966 -11.358 746 2HE2 GLN 99 2HE2 GLN 99 1.895 7.631 -12.915 747 H LEU 100 H LEU 100 -1.279 8.665 -7.008 748 HA LEU 100 HA LEU 100 -3.376 6.704 -7.622 749 1HB LEU 100 1HB LEU 100 -1.764 7.432 -5.368 750 2HB LEU 100 2HB LEU 100 -3.406 7.768 -4.925 751 HG LEU 100 HG LEU 100 -3.951 5.359 -5.549 752 1HD1 LEU 100 1HD1 LEU 100 -2.096 4.994 -7.179 753 2HD1 LEU 100 2HD1 LEU 100 -0.921 5.162 -5.869 754 3HD1 LEU 100 3HD1 LEU 100 -2.053 3.792 -5.888 755 1HD2 LEU 100 1HD2 LEU 100 -3.350 5.915 -3.208 756 2HD2 LEU 100 2HD2 LEU 100 -2.736 4.323 -3.640 757 3HD2 LEU 100 3HD2 LEU 100 -1.630 5.709 -3.579 758 H ALA 101 H ALA 101 -3.328 9.983 -8.078 759 HA ALA 101 HA ALA 101 -5.323 11.047 -6.635 760 1HB ALA 101 1HB ALA 101 -3.905 12.381 -8.102 761 2HB ALA 101 2HB ALA 101 -4.693 11.691 -9.544 762 3HB ALA 101 3HB ALA 101 -5.606 12.726 -8.421 763 H ASP 102 H ASP 102 -5.885 9.076 -9.612 764 HA ASP 102 HA ASP 102 -8.657 9.967 -9.746 765 1HB ASP 102 1HB ASP 102 -8.916 8.149 -11.448 766 2HB ASP 102 2HB ASP 102 -7.561 9.222 -11.777 767 H VAL 103 H VAL 103 -7.175 7.876 -7.551 768 HA VAL 103 HA VAL 103 -9.865 6.909 -6.723 769 HB VAL 103 HB VAL 103 -7.774 5.310 -5.572 770 1HG1 VAL 103 1HG1 VAL 103 -10.091 4.604 -7.406 771 2HG1 VAL 103 2HG1 VAL 103 -9.176 3.467 -6.393 772 3HG1 VAL 103 3HG1 VAL 103 -10.158 4.732 -5.633 773 1HG2 VAL 103 1HG2 VAL 103 -6.472 5.621 -7.637 774 2HG2 VAL 103 2HG2 VAL 103 -7.087 3.969 -7.504 775 3HG2 VAL 103 3HG2 VAL 103 -7.881 5.107 -8.601 776 H LEU 104 H LEU 104 -7.695 9.253 -6.076 777 HA LEU 104 HA LEU 104 -8.370 9.270 -3.212 778 1HB LEU 104 1HB LEU 104 -5.825 9.730 -4.790 779 2HB LEU 104 2HB LEU 104 -6.101 10.719 -3.402 780 HG LEU 104 HG LEU 104 -4.683 8.865 -2.815 781 1HD1 LEU 104 1HD1 LEU 104 -6.288 9.767 -1.178 782 2HD1 LEU 104 2HD1 LEU 104 -7.439 8.471 -1.592 783 3HD1 LEU 104 3HD1 LEU 104 -5.890 8.042 -0.875 784 1HD2 LEU 104 1HD2 LEU 104 -5.538 7.128 -4.427 785 2HD2 LEU 104 2HD2 LEU 104 -5.346 6.560 -2.751 786 3HD2 LEU 104 3HD2 LEU 104 -6.941 6.919 -3.369 787 H GLN 105 H GLN 105 -8.925 10.827 -6.117 788 HA GLN 105 HA GLN 105 -9.198 13.530 -5.399 789 1HB GLN 105 2HB GLN 105 -9.215 12.565 -7.673 790 2HB GLN 105 3HB GLN 105 -10.777 11.850 -7.354 791 1HG GLN 105 2HG GLN 105 -10.491 14.836 -6.968 792 2HG GLN 105 3HG GLN 105 -10.372 14.218 -8.607 793 1HE2 GLN 105 1HE2 GLN 105 -12.546 14.100 -5.735 794 2HE2 GLN 105 2HE2 GLN 105 -14.033 14.001 -6.709 Start of MODEL 6 1 1H ALA 1 H ALA 1 -9.497 5.045 5.898 2 2H ALA 1 2HN ALA 1 -10.149 3.573 6.271 3 3H ALA 1 3HN ALA 1 -10.962 4.967 6.663 4 HA ALA 1 HA ALA 1 -9.340 5.592 8.221 5 1HB ALA 1 1HB ALA 1 -10.260 2.703 8.569 6 2HB ALA 1 2HB ALA 1 -9.786 3.815 9.880 7 3HB ALA 1 3HB ALA 1 -11.231 4.151 8.915 8 H THR 2 H THR 2 -7.830 3.406 9.716 9 HA THR 2 HA THR 2 -5.927 2.409 7.801 10 HB THR 2 HB THR 2 -4.993 4.250 10.033 11 HG1 THR 2 1HG THR 2 -5.792 4.728 7.510 12 1HG2 THR 2 1HG2 THR 2 -3.328 2.526 9.653 13 2HG2 THR 2 2HG2 THR 2 -3.483 2.672 7.894 14 3HG2 THR 2 3HG2 THR 2 -2.766 3.996 8.841 15 H MET 3 H MET 3 -4.895 0.528 8.603 16 HA MET 3 HA MET 3 -5.004 -0.127 11.435 17 1HB MET 3 1HB MET 3 -6.303 -1.912 9.313 18 2HB MET 3 2HB MET 3 -5.877 -2.445 10.939 19 1HG MET 3 1HG MET 3 -7.352 -0.642 11.872 20 2HG MET 3 2HG MET 3 -7.917 -0.327 10.228 21 1HE MET 3 1HE MET 3 -9.749 -1.023 12.790 22 2HE MET 3 2HE MET 3 -10.396 -0.624 11.180 23 3HE MET 3 3HE MET 3 -10.952 -2.086 12.027 24 H THR 4 H THR 4 -3.805 -2.416 11.602 25 HA THR 4 HA THR 4 -1.548 -2.581 9.680 26 HB THR 4 HB THR 4 -1.931 -4.007 12.319 27 HG1 THR 4 1HG THR 4 -0.520 -2.473 13.163 28 1HG2 THR 4 1HG2 THR 4 -0.266 -5.130 10.900 29 2HG2 THR 4 2HG2 THR 4 0.563 -3.581 10.611 30 3HG2 THR 4 3HG2 THR 4 0.546 -4.310 12.229 31 H LEU 5 H LEU 5 -1.185 -4.891 8.870 32 HA LEU 5 HA LEU 5 -3.517 -6.701 9.133 33 1HB LEU 5 1HB LEU 5 -2.152 -5.959 6.529 34 2HB LEU 5 2HB LEU 5 -3.257 -7.313 6.697 35 HG LEU 5 HG LEU 5 -4.049 -4.422 7.197 36 1HD1 LEU 5 1HD1 LEU 5 -4.490 -6.145 4.720 37 2HD1 LEU 5 2HD1 LEU 5 -5.118 -4.509 4.975 38 3HD1 LEU 5 3HD1 LEU 5 -3.374 -4.777 4.828 39 1HD2 LEU 5 1HD2 LEU 5 -5.744 -6.891 6.773 40 2HD2 LEU 5 2HD2 LEU 5 -5.496 -6.053 8.326 41 3HD2 LEU 5 3HD2 LEU 5 -6.326 -5.227 7.006 42 H THR 6 H THR 6 -2.912 -8.961 8.368 43 HA THR 6 HA THR 6 -0.182 -9.573 8.099 44 HB THR 6 HB THR 6 -0.464 -9.835 10.530 45 HG1 THR 6 1HG THR 6 0.782 -11.406 10.255 46 1HG2 THR 6 1HG2 THR 6 -1.985 -11.618 11.419 47 2HG2 THR 6 2HG2 THR 6 -2.827 -10.180 10.833 48 3HG2 THR 6 3HG2 THR 6 -2.809 -11.665 9.851 49 H ASP 7 H ASP 7 -0.578 -12.099 7.813 50 HA ASP 7 HA ASP 7 -1.177 -12.143 5.101 51 1HB ASP 7 1HB ASP 7 0.277 -13.769 6.387 52 2HB ASP 7 2HB ASP 7 -1.178 -14.621 6.889 53 H ALA 8 H ALA 8 -3.187 -13.910 7.470 54 HA ALA 8 HA ALA 8 -5.262 -14.521 5.616 55 1HB ALA 8 1HB ALA 8 -4.914 -15.672 7.806 56 2HB ALA 8 2HB ALA 8 -5.382 -14.181 8.659 57 3HB ALA 8 3HB ALA 8 -6.576 -15.048 7.666 58 H ASN 9 H ASN 9 -4.719 -11.621 7.568 59 HA ASN 9 HA ASN 9 -7.427 -10.645 7.218 60 1HB ASN 9 1HB ASN 9 -4.976 -9.299 8.318 61 2HB ASN 9 2HB ASN 9 -6.602 -8.653 8.329 62 1HD2 ASN 9 1HD2 ASN 9 -8.382 -10.389 9.406 63 2HD2 ASN 9 2HD2 ASN 9 -7.689 -11.084 10.863 64 H PHE 10 H PHE 10 -4.409 -10.554 5.415 65 HA PHE 10 HA PHE 10 -4.734 -8.148 3.990 66 1HB PHE 10 1HB PHE 10 -2.714 -9.609 3.987 67 2HB PHE 10 2HB PHE 10 -3.544 -10.766 2.971 68 HD1 PHE 10 1HD PHE 10 -4.377 -9.972 0.625 69 HD2 PHE 10 2HD PHE 10 -1.538 -7.795 3.033 70 HE1 PHE 10 1HE PHE 10 -3.655 -8.709 -1.369 71 HE2 PHE 10 2HE PHE 10 -0.747 -6.624 1.032 72 HZ PHE 10 HZ PHE 10 -1.815 -7.037 -1.184 73 H GLN 11 H GLN 11 -5.754 -11.434 2.915 74 HA GLN 11 HA GLN 11 -7.299 -10.497 0.724 75 1HB GLN 11 1HB GLN 11 -6.430 -12.891 1.435 76 2HB GLN 11 2HB GLN 11 -7.999 -13.046 2.210 77 1HG GLN 11 1HG GLN 11 -7.452 -12.358 -0.719 78 2HG GLN 11 2HG GLN 11 -7.946 -13.940 -0.113 79 1HE2 GLN 11 1HE2 GLN 11 -10.150 -13.794 1.282 80 2HE2 GLN 11 2HE2 GLN 11 -11.378 -12.810 0.486 81 H GLN 12 H GLN 12 -8.231 -11.199 4.121 82 HA GLN 12 HA GLN 12 -11.000 -10.698 3.906 83 1HB GLN 12 1HB GLN 12 -9.672 -11.673 5.843 84 2HB GLN 12 2HB GLN 12 -9.163 -10.021 6.215 85 1HG GLN 12 1HG GLN 12 -11.512 -9.382 6.646 86 2HG GLN 12 2HG GLN 12 -12.019 -11.040 6.267 87 1HE2 GLN 12 1HE2 GLN 12 -12.393 -12.202 8.175 88 2HE2 GLN 12 2HE2 GLN 12 -11.425 -12.001 9.628 89 H ALA 13 H ALA 13 -8.284 -8.396 3.909 90 HA ALA 13 HA ALA 13 -10.016 -6.149 4.508 91 1HB ALA 13 1HB ALA 13 -7.045 -6.268 3.887 92 2HB ALA 13 2HB ALA 13 -7.942 -4.839 4.448 93 3HB ALA 13 3HB ALA 13 -7.800 -6.258 5.502 94 H ILE 14 H ILE 14 -8.561 -7.631 1.638 95 HA ILE 14 HA ILE 14 -9.326 -5.343 -0.038 96 HB ILE 14 HB ILE 14 -8.756 -6.842 -1.956 97 1HG1 ILE 14 1HG1 ILE 14 -7.219 -8.548 -0.022 98 2HG1 ILE 14 2HG1 ILE 14 -8.798 -9.059 -0.622 99 1HG2 ILE 14 1HG2 ILE 14 -6.348 -6.384 -1.632 100 2HG2 ILE 14 2HG2 ILE 14 -7.319 -5.052 -1.011 101 3HG2 ILE 14 3HG2 ILE 14 -6.597 -6.219 0.112 102 1HD1 ILE 14 1HD1 ILE 14 -7.094 -10.083 -1.970 103 2HD1 ILE 14 2HD1 ILE 14 -7.967 -8.898 -2.957 104 3HD1 ILE 14 3HD1 ILE 14 -6.345 -8.521 -2.328 105 H GLN 15 H GLN 15 -10.372 -8.545 -0.781 106 HA GLN 15 HA GLN 15 -12.202 -9.473 -1.564 107 1HB GLN 15 1HB GLN 15 -13.820 -9.923 0.112 108 2HB GLN 15 2HB GLN 15 -12.219 -9.878 0.838 109 1HG GLN 15 1HG GLN 15 -12.648 -7.761 1.897 110 2HG GLN 15 2HG GLN 15 -14.097 -7.478 0.933 111 1HE2 GLN 15 1HE2 GLN 15 -13.033 -8.585 3.969 112 2HE2 GLN 15 2HE2 GLN 15 -14.555 -9.385 4.413 113 H GLY 16 H GLY 16 -12.731 -6.110 -1.318 114 1HA GLY 16 1HA GLY 16 -15.407 -6.262 -2.655 115 2HA GLY 16 2HA GLY 16 -15.169 -5.441 -1.106 116 H ASP 17 H ASP 17 -16.251 -3.731 -2.674 117 HA ASP 17 HA ASP 17 -14.690 -2.702 -4.861 118 1HB ASP 17 1HB ASP 17 -16.678 -1.348 -5.206 119 2HB ASP 17 2HB ASP 17 -17.148 -3.019 -4.892 120 H GLY 18 H GLY 18 -14.819 -1.934 -1.502 121 1HA GLY 18 1HA GLY 18 -14.707 0.881 -1.554 122 2HA GLY 18 2HA GLY 18 -14.049 -0.137 -0.261 123 HA PRO 19 HA PRO 19 -10.453 1.729 -2.818 124 1HB PRO 19 1HB PRO 19 -9.920 4.116 -1.586 125 2HB PRO 19 2HB PRO 19 -11.056 3.958 -2.949 126 1HG PRO 19 1HG PRO 19 -11.713 4.048 0.011 127 2HG PRO 19 2HG PRO 19 -12.499 4.937 -1.331 128 1HD PRO 19 1HD PRO 19 -13.495 2.614 -0.248 129 2HD PRO 19 2HD PRO 19 -13.716 3.041 -1.972 130 H VAL 20 H VAL 20 -9.759 -0.202 -1.735 131 HA VAL 20 HA VAL 20 -8.631 0.016 0.983 132 HB VAL 20 HB VAL 20 -8.833 -2.220 -1.073 133 1HG1 VAL 20 1HG1 VAL 20 -7.657 -2.258 1.756 134 2HG1 VAL 20 2HG1 VAL 20 -8.075 -3.711 0.844 135 3HG1 VAL 20 3HG1 VAL 20 -6.804 -2.649 0.245 136 1HG2 VAL 20 1HG2 VAL 20 -10.969 -1.566 0.051 137 2HG2 VAL 20 2HG2 VAL 20 -10.449 -3.190 0.480 138 3HG2 VAL 20 3HG2 VAL 20 -10.202 -1.858 1.628 139 H LEU 21 H LEU 21 -6.436 0.188 1.380 140 HA LEU 21 HA LEU 21 -4.577 0.272 -0.959 141 1HB LEU 21 1HB LEU 21 -5.573 2.498 -0.251 142 2HB LEU 21 2HB LEU 21 -4.669 2.375 1.233 143 HG LEU 21 HG LEU 21 -3.350 2.311 -1.512 144 1HD1 LEU 21 1HD1 LEU 21 -3.824 4.739 0.282 145 2HD1 LEU 21 2HD1 LEU 21 -3.022 4.712 -1.305 146 3HD1 LEU 21 3HD1 LEU 21 -4.751 4.379 -1.182 147 1HD2 LEU 21 1HD2 LEU 21 -2.258 3.128 1.231 148 2HD2 LEU 21 2HD2 LEU 21 -1.841 1.628 0.383 149 3HD2 LEU 21 3HD2 LEU 21 -1.369 3.172 -0.284 150 H VAL 22 H VAL 22 -2.476 -0.491 -0.517 151 HA VAL 22 HA VAL 22 -2.076 -1.800 2.131 152 HB VAL 22 HB VAL 22 -2.299 -2.872 -0.669 153 1HG1 VAL 22 1HG1 VAL 22 0.044 -3.386 -0.332 154 2HG1 VAL 22 2HG1 VAL 22 -0.293 -4.071 1.266 155 3HG1 VAL 22 3HG1 VAL 22 -0.921 -4.838 -0.219 156 1HG2 VAL 22 1HG2 VAL 22 -2.795 -4.129 2.064 157 2HG2 VAL 22 2HG2 VAL 22 -4.017 -3.292 1.086 158 3HG2 VAL 22 3HG2 VAL 22 -3.285 -4.791 0.491 159 H ASP 23 H ASP 23 -0.166 -1.036 3.004 160 HA ASP 23 HA ASP 23 1.980 -0.265 1.144 161 1HB ASP 23 1HB ASP 23 0.756 0.881 3.531 162 2HB ASP 23 2HB ASP 23 2.433 0.522 3.840 163 H PHE 24 H PHE 24 3.044 -2.075 0.706 164 HA PHE 24 HA PHE 24 3.695 -4.122 2.714 165 1HB PHE 24 1HB PHE 24 4.555 -3.612 -0.147 166 2HB PHE 24 2HB PHE 24 5.142 -4.948 0.796 167 HD1 PHE 24 1HD PHE 24 2.666 -4.048 -1.564 168 HD2 PHE 24 2HD PHE 24 3.396 -6.508 1.906 169 HE1 PHE 24 1HE PHE 24 1.144 -5.766 -2.465 170 HE2 PHE 24 2HE PHE 24 1.881 -8.229 0.991 171 HZ PHE 24 HZ PHE 24 0.869 -7.954 -1.193 172 H TRP 25 H TRP 25 5.238 -3.713 4.136 173 HA TRP 25 HA TRP 25 7.690 -2.276 3.255 174 1HB TRP 25 1HB TRP 25 7.980 -1.337 5.426 175 2HB TRP 25 2HB TRP 25 6.374 -0.902 4.886 176 HD1 TRP 25 HD TRP 25 4.312 -2.219 6.108 177 HE1 TRP 25 1HE TRP 25 4.122 -3.255 8.458 178 HE3 TRP 25 3HE TRP 25 9.270 -2.295 7.381 179 HZ2 TRP 25 2HZ TRP 25 5.954 -4.235 10.537 180 HZ3 TRP 25 3HZ TRP 25 10.010 -3.223 9.545 181 HH2 TRP 25 HH TRP 25 8.357 -4.200 11.130 182 H ALA 26 H ALA 26 9.563 -3.154 5.007 183 HA ALA 26 HA ALA 26 9.015 -5.909 5.757 184 1HB ALA 26 1HB ALA 26 10.797 -6.916 4.555 185 2HB ALA 26 2HB ALA 26 9.842 -6.044 3.352 186 3HB ALA 26 3HB ALA 26 11.380 -5.361 3.920 187 H ALA 27 H ALA 27 10.818 -6.795 7.019 188 HA ALA 27 HA ALA 27 11.716 -4.803 8.927 189 1HB ALA 27 1HB ALA 27 10.780 -6.962 9.638 190 2HB ALA 27 2HB ALA 27 12.123 -7.819 8.843 191 3HB ALA 27 3HB ALA 27 12.425 -6.751 10.233 192 H TRP 28 H TRP 28 13.009 -4.983 6.128 193 HA TRP 28 HA TRP 28 15.644 -4.338 7.147 194 1HB TRP 28 1HB TRP 28 16.986 -5.654 5.875 195 2HB TRP 28 2HB TRP 28 15.736 -6.794 6.302 196 HD1 TRP 28 HD TRP 28 17.515 -5.220 3.454 197 HE1 TRP 28 1HE TRP 28 16.618 -5.961 1.185 198 HE3 TRP 28 3HE TRP 28 13.305 -7.724 5.007 199 HZ2 TRP 28 2HZ TRP 28 14.317 -7.349 0.145 200 HZ3 TRP 28 3HZ TRP 28 11.734 -8.681 3.304 201 HH2 TRP 28 HH TRP 28 12.230 -8.472 0.906 202 H CYS 29 H CYS 29 14.022 -4.784 4.054 203 HA CYS 29 HA CYS 29 13.608 -3.657 2.259 204 1HB CYS 29 1HB CYS 29 12.111 -1.865 2.447 205 2HB CYS 29 2HB CYS 29 11.791 -3.026 3.730 206 H GLY 30 H GLY 30 15.140 -1.107 4.271 207 1HA GLY 30 1HA GLY 30 16.797 0.442 3.574 208 2HA GLY 30 2HA GLY 30 16.568 -0.022 1.887 209 HA PRO 31 HA PRO 31 14.378 3.802 1.584 210 1HB PRO 31 1HB PRO 31 12.598 3.294 -0.531 211 2HB PRO 31 2HB PRO 31 14.318 3.782 -0.657 212 1HG PRO 31 1HG PRO 31 13.122 1.018 -0.838 213 2HG PRO 31 2HG PRO 31 14.439 1.731 -1.815 214 1HD PRO 31 1HD PRO 31 14.931 0.038 0.225 215 2HD PRO 31 2HD PRO 31 16.003 1.438 -0.065 216 H CYS 32 H CYS 32 12.378 0.946 2.179 217 HA CYS 32 HA CYS 32 9.964 2.425 2.632 218 1HB CYS 32 1HB CYS 32 8.995 0.611 3.502 219 2HB CYS 32 2HB CYS 32 10.220 -0.146 2.503 220 H ARG 33 H ARG 33 12.918 2.178 4.566 221 HA ARG 33 HA ARG 33 11.781 3.177 7.010 222 1HB ARG 33 1HB ARG 33 14.035 1.995 6.572 223 2HB ARG 33 2HB ARG 33 14.633 3.553 6.041 224 1HG ARG 33 1HG ARG 33 13.303 3.573 8.722 225 2HG ARG 33 2HG ARG 33 14.650 2.452 8.597 226 1HD ARG 33 1HD ARG 33 15.580 4.418 9.399 227 2HD ARG 33 2HD ARG 33 16.085 4.333 7.705 228 HE ARG 33 HE ARG 33 13.644 5.773 7.886 229 1HH1 ARG 33 2HH2 ARG 33 17.043 6.279 8.718 230 2HH1 ARG 33 1HH2 ARG 33 16.985 8.001 8.556 231 1HH2 ARG 33 2HH1 ARG 33 13.521 7.980 7.684 232 2HH2 ARG 33 1HH1 ARG 33 14.890 9.012 7.950 233 H MET 34 H MET 34 12.525 4.742 3.959 234 HA MET 34 HA MET 34 12.389 7.454 5.122 235 1HB MET 34 1HB MET 34 13.085 6.350 2.346 236 2HB MET 34 2HB MET 34 12.985 8.070 2.719 237 1HG MET 34 1HG MET 34 14.864 7.973 4.181 238 2HG MET 34 2HG MET 34 14.849 6.204 4.205 239 1HE MET 34 1HE MET 34 15.601 9.409 2.069 240 2HE MET 34 2HE MET 34 16.221 8.718 0.553 241 3HE MET 34 3HE MET 34 14.500 8.556 0.958 242 H MET 35 H MET 35 10.572 5.088 3.302 243 HA MET 35 HA MET 35 8.667 7.040 2.331 244 1HB MET 35 1HB MET 35 9.439 4.744 1.227 245 2HB MET 35 2HB MET 35 8.143 4.069 2.220 246 1HG MET 35 1HG MET 35 6.590 5.713 1.157 247 2HG MET 35 2HG MET 35 7.930 6.364 0.214 248 1HE MET 35 1HE MET 35 5.132 5.336 -0.903 249 2HE MET 35 2HE MET 35 6.370 5.991 -2.005 250 3HE MET 35 3HE MET 35 5.601 4.424 -2.355 251 H ALA 36 H ALA 36 8.882 4.592 5.015 252 HA ALA 36 HA ALA 36 6.273 4.732 5.925 253 1HB ALA 36 1HB ALA 36 7.922 3.240 6.898 254 2HB ALA 36 2HB ALA 36 8.832 4.602 7.578 255 3HB ALA 36 3HB ALA 36 7.196 4.240 8.171 256 HA PRO 37 HA PRO 37 6.935 8.884 8.211 257 1HB PRO 37 1HB PRO 37 8.977 10.560 7.275 258 2HB PRO 37 2HB PRO 37 9.033 9.556 8.759 259 1HG PRO 37 1HG PRO 37 10.152 8.987 6.050 260 2HG PRO 37 2HG PRO 37 10.890 8.667 7.639 261 1HD PRO 37 1HD PRO 37 9.703 6.682 6.239 262 2HD PRO 37 2HD PRO 37 9.548 6.772 8.012 263 H VAL 38 H VAL 38 7.857 8.685 4.667 264 HA VAL 38 HA VAL 38 6.269 11.074 4.133 265 HB VAL 38 HB VAL 38 8.196 9.768 2.711 266 1HG1 VAL 38 1HG1 VAL 38 7.258 9.052 0.544 267 2HG1 VAL 38 2HG1 VAL 38 6.784 7.972 1.856 268 3HG1 VAL 38 3HG1 VAL 38 5.618 9.105 1.241 269 1HG2 VAL 38 1HG2 VAL 38 7.622 12.108 2.501 270 2HG2 VAL 38 2HG2 VAL 38 7.651 11.379 0.892 271 3HG2 VAL 38 3HG2 VAL 38 6.098 11.725 1.700 272 H LEU 39 H LEU 39 5.446 7.709 4.593 273 HA LEU 39 HA LEU 39 2.886 7.906 3.344 274 1HB LEU 39 1HB LEU 39 4.434 5.783 4.824 275 2HB LEU 39 2HB LEU 39 2.798 5.519 4.282 276 HG LEU 39 HG LEU 39 5.024 6.370 2.390 277 1HD1 LEU 39 1HD1 LEU 39 5.032 3.936 1.706 278 2HD1 LEU 39 2HD1 LEU 39 5.649 4.229 3.347 279 3HD1 LEU 39 3HD1 LEU 39 4.010 3.609 3.110 280 1HD2 LEU 39 1HD2 LEU 39 3.573 5.441 0.633 281 2HD2 LEU 39 2HD2 LEU 39 2.284 5.262 1.827 282 3HD2 LEU 39 3HD2 LEU 39 2.915 6.881 1.408 283 H GLU 40 H GLU 40 4.168 8.449 6.546 284 HA GLU 40 HA GLU 40 1.649 8.238 7.952 285 1HB GLU 40 1HB GLU 40 4.001 8.227 8.897 286 2HB GLU 40 2HB GLU 40 4.066 9.970 8.641 287 1HG GLU 40 1HG GLU 40 2.446 10.386 10.310 288 2HG GLU 40 2HG GLU 40 1.742 8.770 10.174 289 H GLU 41 H GLU 41 3.466 10.897 6.405 290 HA GLU 41 HA GLU 41 1.524 12.965 6.469 291 1HB GLU 41 1HB GLU 41 3.786 13.390 5.822 292 2HB GLU 41 2HB GLU 41 3.742 12.188 4.545 293 1HG GLU 41 1HG GLU 41 2.156 13.592 3.250 294 2HG GLU 41 2HG GLU 41 2.206 14.809 4.532 295 H PHE 42 H PHE 42 2.055 10.394 4.003 296 HA PHE 42 HA PHE 42 -0.119 11.001 2.345 297 1HB PHE 42 1HB PHE 42 1.735 9.263 1.970 298 2HB PHE 42 2HB PHE 42 0.828 8.197 3.015 299 HD1 PHE 42 1HD PHE 42 0.075 6.422 1.757 300 HD2 PHE 42 2HD PHE 42 -0.316 10.429 0.153 301 HE1 PHE 42 1HE PHE 42 -1.228 5.549 -0.138 302 HE2 PHE 42 2HE PHE 42 -1.613 9.528 -1.738 303 HZ PHE 42 HZ PHE 42 -2.137 7.110 -1.862 304 H ALA 43 H ALA 43 -0.099 8.718 5.156 305 HA ALA 43 HA ALA 43 -2.735 7.869 4.986 306 1HB ALA 43 1HB ALA 43 -1.095 6.848 6.494 307 2HB ALA 43 2HB ALA 43 -1.058 8.319 7.491 308 3HB ALA 43 3HB ALA 43 -2.539 7.345 7.399 309 H GLU 44 H GLU 44 -1.514 10.625 6.936 310 HA GLU 44 HA GLU 44 -4.043 11.444 7.882 311 1HB GLU 44 1HB GLU 44 -1.882 12.182 8.823 312 2HB GLU 44 2HB GLU 44 -1.593 13.188 7.391 313 1HG GLU 44 1HG GLU 44 -3.592 14.537 7.898 314 2HG GLU 44 2HG GLU 44 -4.028 13.452 9.220 315 H ALA 45 H ALA 45 -2.286 12.454 4.915 316 HA ALA 45 HA ALA 45 -3.912 14.533 4.092 317 1HB ALA 45 1HB ALA 45 -3.027 14.101 1.835 318 2HB ALA 45 2HB ALA 45 -1.747 13.870 3.048 319 3HB ALA 45 3HB ALA 45 -2.549 12.468 2.304 320 H HIS 46 H HIS 46 -4.800 11.192 4.070 321 HA HIS 46 HA HIS 46 -7.403 11.827 2.800 322 1HB HIS 46 1HB HIS 46 -7.106 9.916 1.227 323 2HB HIS 46 2HB HIS 46 -6.005 11.249 0.932 324 HD1 HIS 46 1HD HIS 46 -5.650 8.212 3.306 325 HD2 HIS 46 2HD HIS 46 -3.773 10.222 0.104 326 HE1 HIS 46 1HE HIS 46 -3.386 6.988 2.855 327 HE2 HIS 46 2HE HIS 46 -2.322 8.219 0.846 328 H ALA 47 H ALA 47 -6.830 11.356 5.490 329 HA ALA 47 HA ALA 47 -6.460 8.961 6.527 330 1HB ALA 47 1HB ALA 47 -7.572 9.748 8.576 331 2HB ALA 47 2HB ALA 47 -6.625 11.039 7.812 332 3HB ALA 47 3HB ALA 47 -8.396 11.022 7.652 333 H ASP 48 H ASP 48 -9.748 9.933 5.502 334 HA ASP 48 HA ASP 48 -10.490 7.063 5.700 335 1HB ASP 48 1HB ASP 48 -11.358 8.575 7.611 336 2HB ASP 48 2HB ASP 48 -12.468 9.231 6.404 337 H LYS 49 H LYS 49 -9.883 9.287 3.502 338 HA LYS 49 HA LYS 49 -12.138 8.876 1.669 339 1HB LYS 49 1HB LYS 49 -10.663 10.814 1.375 340 2HB LYS 49 2HB LYS 49 -9.256 9.754 1.244 341 1HG LYS 49 1HG LYS 49 -10.138 8.755 -0.822 342 2HG LYS 49 2HG LYS 49 -11.590 9.759 -0.723 343 1HD LYS 49 1HD LYS 49 -8.789 10.961 -0.876 344 2HD LYS 49 2HD LYS 49 -9.655 10.378 -2.305 345 1HE LYS 49 1HE LYS 49 -11.541 11.852 -1.848 346 2HE LYS 49 2HE LYS 49 -10.692 12.558 -0.447 347 1HZ LYS 49 1HZ LYS 49 -9.213 12.480 -2.919 348 2HZ LYS 49 2HZ LYS 49 -10.530 13.353 -3.077 349 3HZ LYS 49 3HZ LYS 49 -9.386 13.758 -1.889 350 H VAL 50 H VAL 50 -9.147 7.239 2.601 351 HA VAL 50 HA VAL 50 -9.941 4.917 0.912 352 HB VAL 50 HB VAL 50 -7.645 4.248 0.693 353 1HG1 VAL 50 1HG1 VAL 50 -7.826 7.197 -0.009 354 2HG1 VAL 50 2HG1 VAL 50 -6.760 5.985 -0.749 355 3HG1 VAL 50 3HG1 VAL 50 -8.513 5.881 -0.976 356 1HG2 VAL 50 1HG2 VAL 50 -6.649 4.972 2.784 357 2HG2 VAL 50 2HG2 VAL 50 -5.759 5.717 1.451 358 3HG2 VAL 50 3HG2 VAL 50 -6.940 6.673 2.380 359 H THR 51 H THR 51 -9.108 2.826 1.972 360 HA THR 51 HA THR 51 -8.574 3.225 4.788 361 HB THR 51 HB THR 51 -10.889 2.277 4.364 362 HG1 THR 51 1HG THR 51 -9.508 0.764 6.193 363 1HG2 THR 51 1HG2 THR 51 -10.274 0.401 2.888 364 2HG2 THR 51 2HG2 THR 51 -9.333 -0.326 4.212 365 3HG2 THR 51 3HG2 THR 51 -11.092 -0.126 4.374 366 H VAL 52 H VAL 52 -6.524 3.239 4.851 367 HA VAL 52 HA VAL 52 -4.983 1.466 3.099 368 HB VAL 52 HB VAL 52 -4.248 3.669 3.014 369 1HG1 VAL 52 1HG1 VAL 52 -3.501 5.033 4.966 370 2HG1 VAL 52 2HG1 VAL 52 -5.236 4.710 4.973 371 3HG1 VAL 52 3HG1 VAL 52 -4.151 3.775 6.028 372 1HG2 VAL 52 1HG2 VAL 52 -1.953 3.658 3.661 373 2HG2 VAL 52 2HG2 VAL 52 -2.236 2.464 4.932 374 3HG2 VAL 52 3HG2 VAL 52 -2.385 2.001 3.223 375 H ALA 53 H ALA 53 -3.222 0.187 3.990 376 HA ALA 53 HA ALA 53 -3.154 -0.090 6.865 377 1HB ALA 53 1HB ALA 53 -3.092 -2.569 6.735 378 2HB ALA 53 2HB ALA 53 -4.699 -1.917 6.334 379 3HB ALA 53 3HB ALA 53 -3.613 -2.469 5.032 380 H LYS 54 H LYS 54 -1.089 -1.077 7.491 381 HA LYS 54 HA LYS 54 0.851 -1.299 5.273 382 1HB LYS 54 1HB LYS 54 2.617 -0.300 6.637 383 2HB LYS 54 2HB LYS 54 1.336 0.835 6.222 384 1HG LYS 54 1HG LYS 54 0.371 0.527 8.537 385 2HG LYS 54 2HG LYS 54 1.773 -0.488 8.937 386 1HD LYS 54 1HD LYS 54 3.291 1.406 8.451 387 2HD LYS 54 2HD LYS 54 1.904 2.408 7.971 388 1HE LYS 54 1HE LYS 54 0.962 2.160 10.274 389 2HE LYS 54 2HE LYS 54 2.402 1.247 10.748 390 1HZ LYS 54 1HZ LYS 54 2.566 3.581 11.362 391 2HZ LYS 54 2HZ LYS 54 3.727 3.214 10.262 392 3HZ LYS 54 3HZ LYS 54 2.393 4.057 9.806 393 H LEU 55 H LEU 55 2.178 -3.076 5.416 394 HA LEU 55 HA LEU 55 2.001 -4.793 7.817 395 1HB LEU 55 1HB LEU 55 1.081 -6.665 6.596 396 2HB LEU 55 2HB LEU 55 -0.018 -5.307 6.589 397 HG LEU 55 HG LEU 55 1.577 -5.037 4.199 398 1HD1 LEU 55 1HD1 LEU 55 0.500 -7.858 4.582 399 2HD1 LEU 55 2HD1 LEU 55 1.122 -7.177 3.073 400 3HD1 LEU 55 3HD1 LEU 55 2.214 -7.398 4.450 401 1HD2 LEU 55 1HD2 LEU 55 -0.538 -5.358 3.049 402 2HD2 LEU 55 2HD2 LEU 55 -1.281 -5.996 4.514 403 3HD2 LEU 55 3HD2 LEU 55 -0.749 -4.294 4.448 404 H ASN 56 H ASN 56 3.480 -6.554 7.804 405 HA ASN 56 HA ASN 56 5.925 -5.837 6.362 406 1HB ASN 56 1HB ASN 56 5.793 -6.488 8.860 407 2HB ASN 56 2HB ASN 56 5.632 -8.156 8.293 408 1HD2 ASN 56 1HD2 ASN 56 7.862 -5.768 9.161 409 2HD2 ASN 56 2HD2 ASN 56 9.268 -6.480 8.413 410 H VAL 57 H VAL 57 6.299 -6.669 4.419 411 HA VAL 57 HA VAL 57 4.635 -8.521 3.162 412 HB VAL 57 HB VAL 57 6.146 -6.724 2.266 413 1HG1 VAL 57 1HG1 VAL 57 8.293 -7.608 3.242 414 2HG1 VAL 57 2HG1 VAL 57 8.206 -8.984 2.127 415 3HG1 VAL 57 3HG1 VAL 57 8.392 -7.355 1.485 416 1HG2 VAL 57 1HG2 VAL 57 6.276 -7.672 0.101 417 2HG2 VAL 57 2HG2 VAL 57 6.150 -9.326 0.745 418 3HG2 VAL 57 3HG2 VAL 57 4.772 -8.219 0.861 419 H ASP 58 H ASP 58 7.484 -9.122 5.176 420 HA ASP 58 HA ASP 58 8.159 -11.738 4.203 421 1HB ASP 58 1HB ASP 58 9.544 -10.100 5.584 422 2HB ASP 58 2HB ASP 58 8.578 -10.599 6.969 423 H GLU 59 H GLU 59 5.829 -10.461 6.472 424 HA GLU 59 HA GLU 59 5.227 -13.044 7.723 425 1HB GLU 59 1HB GLU 59 5.275 -10.846 8.917 426 2HB GLU 59 2HB GLU 59 3.819 -10.387 8.017 427 1HG GLU 59 1HG GLU 59 2.615 -12.327 8.974 428 2HG GLU 59 2HG GLU 59 4.069 -12.815 9.843 429 H ASN 60 H ASN 60 4.030 -11.132 5.048 430 HA ASN 60 HA ASN 60 1.589 -12.835 4.846 431 1HB ASN 60 1HB ASN 60 0.790 -10.671 5.204 432 2HB ASN 60 2HB ASN 60 2.074 -9.941 4.249 433 1HD2 ASN 60 1HD2 ASN 60 -0.199 -12.684 3.199 434 2HD2 ASN 60 2HD2 ASN 60 -0.591 -11.778 1.750 435 HA PRO 61 HA PRO 61 3.966 -13.991 1.096 436 1HB PRO 61 1HB PRO 61 3.489 -16.683 1.177 437 2HB PRO 61 2HB PRO 61 4.800 -15.892 2.100 438 1HG PRO 61 1HG PRO 61 2.031 -16.647 3.089 439 2HG PRO 61 2HG PRO 61 3.612 -17.004 3.857 440 1HD PRO 61 1HD PRO 61 2.107 -14.883 4.638 441 2HD PRO 61 2HD PRO 61 3.874 -14.745 4.559 442 H GLU 62 H GLU 62 0.571 -14.564 2.213 443 HA GLU 62 HA GLU 62 -0.302 -15.645 -0.279 444 1HB GLU 62 1HB GLU 62 -1.380 -15.897 1.965 445 2HB GLU 62 2HB GLU 62 -2.011 -14.255 1.830 446 1HG GLU 62 1HG GLU 62 -2.519 -16.116 -0.483 447 2HG GLU 62 2HG GLU 62 -3.292 -16.547 1.033 448 H THR 63 H THR 63 -0.946 -14.672 -2.083 449 HA THR 63 HA THR 63 -1.311 -13.253 -3.731 450 HB THR 63 HB THR 63 -2.167 -11.336 -1.538 451 HG1 THR 63 1HG THR 63 -3.552 -13.058 -1.683 452 1HG2 THR 63 1HG2 THR 63 -2.585 -11.072 -4.539 453 2HG2 THR 63 2HG2 THR 63 -3.306 -10.067 -3.270 454 3HG2 THR 63 3HG2 THR 63 -1.559 -10.002 -3.543 455 H THR 64 H THR 64 0.760 -12.121 -1.239 456 HA THR 64 HA THR 64 2.512 -10.371 -2.596 457 HB THR 64 HB THR 64 3.054 -12.475 -0.486 458 HG1 THR 64 1HG THR 64 2.603 -10.968 0.898 459 1HG2 THR 64 1HG2 THR 64 5.230 -11.731 -1.505 460 2HG2 THR 64 2HG2 THR 64 4.813 -10.076 -1.006 461 3HG2 THR 64 3HG2 THR 64 5.023 -11.343 0.207 462 H SER 65 H SER 65 2.756 -13.938 -2.229 463 HA SER 65 HA SER 65 4.883 -14.242 -4.124 464 1HB SER 65 1HB SER 65 4.397 -15.808 -2.245 465 2HB SER 65 2HB SER 65 2.896 -16.293 -3.065 466 HG SER 65 HG SER 65 4.404 -16.685 -4.923 467 H GLN 66 H GLN 66 1.700 -13.337 -4.848 468 HA GLN 66 HA GLN 66 1.623 -14.930 -7.350 469 1HB GLN 66 1HB GLN 66 -0.278 -14.947 -5.586 470 2HB GLN 66 2HB GLN 66 -0.629 -13.306 -6.122 471 1HG GLN 66 1HG GLN 66 -2.081 -14.850 -7.298 472 2HG GLN 66 2HG GLN 66 -0.957 -14.135 -8.449 473 1HE2 GLN 66 1HE2 GLN 66 -1.145 -17.072 -6.258 474 2HE2 GLN 66 2HE2 GLN 66 -0.446 -18.125 -7.484 475 H PHE 67 H PHE 67 1.572 -11.544 -6.036 476 HA PHE 67 HA PHE 67 1.669 -10.572 -8.847 477 1HB PHE 67 1HB PHE 67 1.179 -9.142 -6.229 478 2HB PHE 67 2HB PHE 67 1.275 -8.351 -7.797 479 HD1 PHE 67 1HD PHE 67 -0.321 -10.231 -9.555 480 HD2 PHE 67 2HD PHE 67 -1.039 -8.742 -5.563 481 HE1 PHE 67 1HE PHE 67 -2.742 -10.526 -9.878 482 HE2 PHE 67 2HE PHE 67 -3.475 -9.048 -5.907 483 HZ PHE 67 HZ PHE 67 -4.333 -9.932 -8.061 484 H GLY 68 H GLY 68 3.939 -11.873 -7.141 485 1HA GLY 68 1HA GLY 68 6.236 -11.743 -7.282 486 2HA GLY 68 2HA GLY 68 6.010 -10.519 -8.543 487 H ILE 69 H ILE 69 4.867 -10.294 -5.188 488 HA ILE 69 HA ILE 69 5.857 -7.588 -4.961 489 HB ILE 69 HB ILE 69 4.482 -9.458 -3.036 490 1HG1 ILE 69 1HG1 ILE 69 3.070 -9.126 -4.977 491 2HG1 ILE 69 2HG1 ILE 69 2.375 -8.366 -3.562 492 1HG2 ILE 69 1HG2 ILE 69 3.815 -7.627 -1.696 493 2HG2 ILE 69 2HG2 ILE 69 5.555 -7.536 -1.878 494 3HG2 ILE 69 3HG2 ILE 69 4.542 -6.429 -2.794 495 1HD1 ILE 69 1HD1 ILE 69 2.136 -6.992 -5.597 496 2HD1 ILE 69 2HD1 ILE 69 3.020 -6.156 -4.321 497 3HD1 ILE 69 3HD1 ILE 69 3.899 -6.838 -5.711 498 H MET 70 H MET 70 8.080 -8.147 -5.321 499 HA MET 70 HA MET 70 9.546 -8.754 -2.789 500 1HB MET 70 1HB MET 70 9.370 -10.678 -4.460 501 2HB MET 70 2HB MET 70 10.391 -9.725 -5.546 502 1HG MET 70 1HG MET 70 12.167 -9.692 -3.806 503 2HG MET 70 2HG MET 70 11.102 -10.569 -2.702 504 1HE MET 70 1HE MET 70 13.053 -12.293 -2.243 505 2HE MET 70 2HE MET 70 13.929 -13.154 -3.528 506 3HE MET 70 3HE MET 70 14.095 -11.391 -3.368 507 H SER 71 H SER 71 8.866 -6.157 -3.654 508 HA SER 71 HA SER 71 11.529 -4.982 -3.732 509 1HB SER 71 1HB SER 71 9.599 -4.535 -6.043 510 2HB SER 71 2HB SER 71 11.001 -3.500 -5.697 511 HG SER 71 HG SER 71 11.556 -6.213 -5.711 512 H ILE 72 H ILE 72 10.202 -4.883 -1.565 513 HA ILE 72 HA ILE 72 8.282 -2.833 -1.357 514 HB ILE 72 HB ILE 72 8.686 -2.870 1.026 515 1HG1 ILE 72 1HG1 ILE 72 11.135 -3.166 1.019 516 2HG1 ILE 72 2HG1 ILE 72 10.233 -4.101 2.180 517 1HG2 ILE 72 1HG2 ILE 72 7.875 -5.083 1.433 518 2HG2 ILE 72 2HG2 ILE 72 7.184 -4.448 -0.068 519 3HG2 ILE 72 3HG2 ILE 72 8.469 -5.652 -0.152 520 1HD1 ILE 72 1HD1 ILE 72 11.546 -5.159 -0.355 521 2HD1 ILE 72 2HD1 ILE 72 12.058 -5.401 1.314 522 3HD1 ILE 72 3HD1 ILE 72 10.551 -6.140 0.754 523 HA PRO 73 HA PRO 73 7.854 -1.040 0.434 524 1HB PRO 73 1HB PRO 73 7.185 1.529 -0.045 525 2HB PRO 73 2HB PRO 73 8.289 1.037 1.264 526 1HG PRO 73 1HG PRO 73 9.023 2.095 -1.478 527 2HG PRO 73 2HG PRO 73 9.717 2.560 0.106 528 1HD PRO 73 1HD PRO 73 10.904 0.755 -1.577 529 2HD PRO 73 2HD PRO 73 11.021 0.606 0.200 530 H THR 74 H THR 74 6.121 -1.850 -0.598 531 HA THR 74 HA THR 74 5.586 -1.055 -3.430 532 HB THR 74 HB THR 74 4.881 -3.714 -2.141 533 HG1 THR 74 1HG THR 74 7.177 -2.942 -3.527 534 1HG2 THR 74 1HG2 THR 74 3.355 -3.258 -3.899 535 2HG2 THR 74 2HG2 THR 74 4.636 -2.696 -4.975 536 3HG2 THR 74 3HG2 THR 74 4.550 -4.406 -4.526 537 H LEU 75 H LEU 75 3.548 -0.232 -3.820 538 HA LEU 75 HA LEU 75 1.720 0.093 -1.482 539 1HB LEU 75 1HB LEU 75 3.187 2.110 -1.893 540 2HB LEU 75 2HB LEU 75 2.464 2.282 -3.468 541 HG LEU 75 HG LEU 75 0.569 1.950 -1.132 542 1HD1 LEU 75 1HD1 LEU 75 0.743 4.350 -0.586 543 2HD1 LEU 75 2HD1 LEU 75 2.217 3.461 -0.224 544 3HD1 LEU 75 3HD1 LEU 75 2.155 4.467 -1.677 545 1HD2 LEU 75 1HD2 LEU 75 -0.386 2.229 -3.386 546 2HD2 LEU 75 2HD2 LEU 75 -0.722 3.657 -2.408 547 3HD2 LEU 75 3HD2 LEU 75 0.561 3.713 -3.631 548 H ILE 76 H ILE 76 -0.241 -0.770 -2.081 549 HA ILE 76 HA ILE 76 -0.908 -0.693 -4.995 550 HB ILE 76 HB ILE 76 -1.284 -3.080 -3.158 551 1HG1 ILE 76 1HG1 ILE 76 0.692 -2.447 -5.375 552 2HG1 ILE 76 2HG1 ILE 76 1.010 -3.022 -3.744 553 1HG2 ILE 76 1HG2 ILE 76 -1.978 -2.759 -6.114 554 2HG2 ILE 76 2HG2 ILE 76 -2.166 -4.232 -5.139 555 3HG2 ILE 76 3HG2 ILE 76 -3.153 -2.844 -4.780 556 1HD1 ILE 76 1HD1 ILE 76 1.499 -4.741 -5.328 557 2HD1 ILE 76 2HD1 ILE 76 0.065 -5.252 -4.400 558 3HD1 ILE 76 3HD1 ILE 76 -0.094 -4.643 -6.068 559 H LEU 77 H LEU 77 -3.078 -0.479 -5.424 560 HA LEU 77 HA LEU 77 -4.831 0.072 -3.106 561 1HB LEU 77 1HB LEU 77 -3.938 2.129 -4.423 562 2HB LEU 77 2HB LEU 77 -5.091 1.659 -5.675 563 HG LEU 77 HG LEU 77 -5.825 2.074 -2.754 564 1HD1 LEU 77 1HD1 LEU 77 -6.554 4.365 -3.387 565 2HD1 LEU 77 2HD1 LEU 77 -4.810 4.105 -3.455 566 3HD1 LEU 77 3HD1 LEU 77 -5.734 4.144 -4.955 567 1HD2 LEU 77 1HD2 LEU 77 -8.103 2.604 -3.695 568 2HD2 LEU 77 2HD2 LEU 77 -7.497 2.178 -5.313 569 3HD2 LEU 77 3HD2 LEU 77 -7.620 0.954 -4.040 570 H PHE 78 H PHE 78 -6.753 -0.986 -3.251 571 HA PHE 78 HA PHE 78 -7.130 -2.769 -5.599 572 1HB PHE 78 1HB PHE 78 -7.526 -3.313 -2.641 573 2HB PHE 78 2HB PHE 78 -8.103 -4.373 -3.899 574 HD1 PHE 78 1HD PHE 78 -6.698 -5.944 -5.008 575 HD2 PHE 78 2HD PHE 78 -5.034 -3.117 -2.203 576 HE1 PHE 78 1HE PHE 78 -4.645 -7.298 -4.869 577 HE2 PHE 78 2HE PHE 78 -2.973 -4.497 -2.068 578 HZ PHE 78 HZ PHE 78 -2.767 -6.579 -3.399 579 H LYS 79 H LYS 79 -9.269 -3.327 -6.114 580 HA LYS 79 HA LYS 79 -11.376 -2.981 -4.301 581 1HB LYS 79 1HB LYS 79 -12.876 -1.593 -5.849 582 2HB LYS 79 2HB LYS 79 -11.735 -0.807 -4.768 583 1HG LYS 79 1HG LYS 79 -10.178 -0.469 -6.734 584 2HG LYS 79 2HG LYS 79 -11.425 -1.180 -7.776 585 1HD LYS 79 1HD LYS 79 -11.464 1.279 -7.831 586 2HD LYS 79 2HD LYS 79 -12.974 0.646 -7.169 587 1HE LYS 79 1HE LYS 79 -10.953 1.089 -5.065 588 2HE LYS 79 2HE LYS 79 -11.213 2.557 -6.008 589 1HZ LYS 79 1HZ LYS 79 -13.351 0.996 -4.681 590 2HZ LYS 79 2HZ LYS 79 -12.715 2.409 -4.132 591 3HZ LYS 79 3HZ LYS 79 -13.574 2.377 -5.540 592 H GLY 80 H GLY 80 -13.185 -4.173 -4.958 593 1HA GLY 80 1HA GLY 80 -14.220 -5.988 -5.944 594 2HA GLY 80 2HA GLY 80 -13.366 -5.660 -7.461 595 H GLY 81 H GLY 81 -11.397 -5.860 -4.588 596 1HA GLY 81 1HA GLY 81 -9.737 -7.339 -3.979 597 2HA GLY 81 2HA GLY 81 -10.514 -8.607 -4.931 598 H GLU 82 H GLU 82 -10.153 -6.001 -7.096 599 HA GLU 82 HA GLU 82 -7.809 -7.271 -8.299 600 1HB GLU 82 1HB GLU 82 -9.825 -6.778 -9.649 601 2HB GLU 82 2HB GLU 82 -9.661 -5.056 -9.277 602 1HG GLU 82 1HG GLU 82 -7.444 -5.023 -10.407 603 2HG GLU 82 2HG GLU 82 -7.607 -6.746 -10.763 604 HA PRO 83 HA PRO 83 -5.340 -3.748 -6.715 605 1HB PRO 83 1HB PRO 83 -2.974 -4.272 -7.955 606 2HB PRO 83 2HB PRO 83 -3.579 -5.258 -6.590 607 1HG PRO 83 1HG PRO 83 -3.793 -5.883 -9.545 608 2HG PRO 83 2HG PRO 83 -3.245 -6.948 -8.218 609 1HD PRO 83 1HD PRO 83 -5.808 -6.969 -9.185 610 2HD PRO 83 2HD PRO 83 -5.449 -7.290 -7.462 611 H VAL 84 H VAL 84 -6.481 -1.993 -7.746 612 HA VAL 84 HA VAL 84 -6.708 -1.747 -10.558 613 HB VAL 84 HB VAL 84 -7.261 0.664 -9.914 614 1HG1 VAL 84 1HG1 VAL 84 -8.941 -1.612 -8.775 615 2HG1 VAL 84 2HG1 VAL 84 -9.536 0.006 -9.232 616 3HG1 VAL 84 3HG1 VAL 84 -8.920 -1.095 -10.470 617 1HG2 VAL 84 1HG2 VAL 84 -7.498 -0.390 -7.092 618 2HG2 VAL 84 2HG2 VAL 84 -6.243 0.746 -7.657 619 3HG2 VAL 84 3HG2 VAL 84 -7.949 1.204 -7.701 620 H LYS 85 H LYS 85 -4.293 -0.490 -8.297 621 HA LYS 85 HA LYS 85 -2.485 -0.707 -10.481 622 1HB LYS 85 1HB LYS 85 -1.433 1.505 -10.480 623 2HB LYS 85 2HB LYS 85 -3.098 1.551 -11.003 624 1HG LYS 85 1HG LYS 85 -3.311 2.135 -8.267 625 2HG LYS 85 2HG LYS 85 -1.779 2.873 -8.719 626 1HD LYS 85 1HD LYS 85 -4.549 3.414 -9.842 627 2HD LYS 85 2HD LYS 85 -3.496 4.538 -8.995 628 1HE LYS 85 1HE LYS 85 -3.070 3.428 -11.803 629 2HE LYS 85 2HE LYS 85 -3.626 5.065 -11.371 630 1HZ LYS 85 1HZ LYS 85 -1.001 3.992 -10.593 631 2HZ LYS 85 2HZ LYS 85 -1.243 5.009 -11.879 632 3HZ LYS 85 3HZ LYS 85 -1.615 5.531 -10.407 633 H GLN 86 H GLN 86 -0.249 -0.525 -9.884 634 HA GLN 86 HA GLN 86 0.370 -1.000 -7.025 635 1HB GLN 86 1HB GLN 86 0.704 -3.102 -7.962 636 2HB GLN 86 2HB GLN 86 1.115 -2.493 -9.549 637 1HG GLN 86 1HG GLN 86 3.137 -1.904 -7.395 638 2HG GLN 86 2HG GLN 86 2.910 -3.568 -7.800 639 1HE2 GLN 86 1HE2 GLN 86 3.005 -0.597 -10.012 640 2HE2 GLN 86 2HE2 GLN 86 4.259 -1.369 -10.984 641 H LEU 87 H LEU 87 2.072 0.182 -6.241 642 HA LEU 87 HA LEU 87 3.824 1.688 -8.064 643 1HB LEU 87 1HB LEU 87 2.330 2.418 -5.529 644 2HB LEU 87 2HB LEU 87 3.953 3.036 -5.725 645 HG LEU 87 HG LEU 87 2.430 4.703 -6.376 646 1HD1 LEU 87 1HD1 LEU 87 3.389 3.630 -9.049 647 2HD1 LEU 87 2HD1 LEU 87 3.362 5.301 -8.425 648 3HD1 LEU 87 3HD1 LEU 87 4.537 4.162 -7.798 649 1HD2 LEU 87 1HD2 LEU 87 0.504 3.132 -6.882 650 2HD2 LEU 87 2HD2 LEU 87 0.688 4.529 -7.967 651 3HD2 LEU 87 3HD2 LEU 87 1.199 2.919 -8.500 652 H ILE 88 H ILE 88 5.992 1.785 -7.280 653 HA ILE 88 HA ILE 88 6.804 -0.019 -5.142 654 HB ILE 88 HB ILE 88 8.590 -0.661 -7.190 655 1HG1 ILE 88 1HG1 ILE 88 7.251 -1.780 -8.955 656 2HG1 ILE 88 2HG1 ILE 88 5.794 -0.984 -8.381 657 1HG2 ILE 88 1HG2 ILE 88 6.188 -2.338 -6.427 658 2HG2 ILE 88 2HG2 ILE 88 7.795 -2.896 -6.921 659 3HG2 ILE 88 3HG2 ILE 88 7.587 -2.082 -5.366 660 1HD1 ILE 88 1HD1 ILE 88 6.718 0.044 -10.404 661 2HD1 ILE 88 2HD1 ILE 88 6.711 1.205 -9.071 662 3HD1 ILE 88 3HD1 ILE 88 8.234 0.406 -9.546 663 H GLY 89 H GLY 89 8.323 0.976 -4.017 664 1HA GLY 89 1HA GLY 89 10.353 2.081 -3.689 665 2HA GLY 89 2HA GLY 89 10.292 2.748 -5.326 666 H TYR 90 H TYR 90 11.020 4.312 -3.233 667 HA TYR 90 HA TYR 90 9.011 5.834 -1.926 668 1HB TYR 90 1HB TYR 90 11.335 5.726 -1.184 669 2HB TYR 90 2HB TYR 90 11.862 6.470 -2.689 670 HD1 TYR 90 1HD TYR 90 11.371 8.887 -3.167 671 HD2 TYR 90 2HD TYR 90 10.477 7.067 0.639 672 HE1 TYR 90 1HE TYR 90 11.093 11.133 -2.156 673 HE2 TYR 90 2HE TYR 90 10.211 9.306 1.652 674 HH TYR 90 HH TYR 90 10.196 11.615 1.273 675 H GLN 91 H GLN 91 7.762 7.610 -2.618 676 HA GLN 91 HA GLN 91 8.610 9.084 -4.987 677 1HB GLN 91 1HB GLN 91 5.752 8.204 -4.402 678 2HB GLN 91 2HB GLN 91 6.279 9.177 -5.723 679 1HG GLN 91 1HG GLN 91 6.805 7.420 -7.034 680 2HG GLN 91 2HG GLN 91 7.603 6.528 -5.748 681 1HE2 GLN 91 1HE2 GLN 91 6.519 4.784 -4.792 682 2HE2 GLN 91 2HE2 GLN 91 4.783 4.549 -5.007 683 HA PRO 92 HA PRO 92 7.401 12.296 -1.973 684 1HB PRO 92 1HB PRO 92 7.078 14.454 -3.633 685 2HB PRO 92 2HB PRO 92 8.687 13.807 -3.182 686 1HG PRO 92 1HG PRO 92 7.086 13.247 -5.693 687 2HG PRO 92 2HG PRO 92 8.818 13.691 -5.562 688 1HD PRO 92 1HD PRO 92 7.990 11.101 -5.834 689 2HD PRO 92 2HD PRO 92 9.411 11.524 -4.834 690 H LYS 93 H LYS 93 5.361 13.546 -1.512 691 HA LYS 93 HA LYS 93 3.065 11.908 -2.186 692 1HB LYS 93 1HB LYS 93 3.685 14.124 -0.391 693 2HB LYS 93 2HB LYS 93 2.194 14.455 -1.247 694 1HG LYS 93 1HG LYS 93 1.553 13.338 0.704 695 2HG LYS 93 2HG LYS 93 1.296 12.203 -0.611 696 1HD LYS 93 1HD LYS 93 3.784 12.137 1.161 697 2HD LYS 93 2HD LYS 93 2.280 11.400 1.611 698 1HE LYS 93 1HE LYS 93 3.318 9.580 0.766 699 2HE LYS 93 2HE LYS 93 2.483 10.128 -0.697 700 1HZ LYS 93 1HZ LYS 93 4.827 9.631 -1.149 701 2HZ LYS 93 2HZ LYS 93 4.589 11.250 -1.274 702 3HZ LYS 93 3HZ LYS 93 5.301 10.628 0.062 703 H GLU 94 H GLU 94 4.155 15.032 -3.336 704 HA GLU 94 HA GLU 94 2.099 15.625 -5.117 705 1HB GLU 94 1HB GLU 94 5.109 15.949 -5.544 706 2HB GLU 94 2HB GLU 94 3.871 16.856 -6.416 707 1HG GLU 94 1HG GLU 94 3.220 18.071 -4.447 708 2HG GLU 94 2HG GLU 94 4.148 17.011 -3.381 709 H GLN 95 H GLN 95 4.318 12.884 -5.420 710 HA GLN 95 HA GLN 95 3.574 12.541 -8.271 711 1HB GLN 95 1HB GLN 95 5.961 12.336 -7.626 712 2HB GLN 95 2HB GLN 95 5.588 11.115 -6.468 713 1HG GLN 95 1HG GLN 95 6.539 10.174 -8.550 714 2HG GLN 95 2HG GLN 95 4.967 9.501 -8.155 715 1HE2 GLN 95 1HE2 GLN 95 3.019 10.436 -9.397 716 2HE2 GLN 95 2HE2 GLN 95 3.363 10.989 -11.043 717 H LEU 96 H LEU 96 3.768 10.886 -5.203 718 HA LEU 96 HA LEU 96 2.394 8.486 -5.825 719 1HB LEU 96 1HB LEU 96 3.811 9.304 -3.788 720 2HB LEU 96 2HB LEU 96 2.257 9.702 -3.108 721 HG LEU 96 HG LEU 96 2.872 6.925 -4.224 722 1HD1 LEU 96 1HD1 LEU 96 4.562 7.491 -2.495 723 2HD1 LEU 96 2HD1 LEU 96 3.244 7.847 -1.345 724 3HD1 LEU 96 3HD1 LEU 96 3.455 6.214 -1.977 725 1HD2 LEU 96 1HD2 LEU 96 0.463 7.449 -3.744 726 2HD2 LEU 96 2HD2 LEU 96 1.102 6.171 -2.707 727 3HD2 LEU 96 3HD2 LEU 96 0.933 7.809 -2.066 728 H GLU 97 H GLU 97 1.027 11.430 -4.219 729 HA GLU 97 HA GLU 97 -1.673 10.521 -4.211 730 1HB GLU 97 1HB GLU 97 -0.403 12.439 -2.915 731 2HB GLU 97 2HB GLU 97 -0.783 13.402 -4.340 732 1HG GLU 97 1HG GLU 97 -2.492 13.889 -2.811 733 2HG GLU 97 2HG GLU 97 -3.247 12.759 -3.934 734 H ALA 98 H ALA 98 0.380 12.041 -6.694 735 HA ALA 98 HA ALA 98 -1.919 12.826 -8.352 736 1HB ALA 98 1HB ALA 98 1.047 12.687 -9.046 737 2HB ALA 98 2HB ALA 98 -0.238 13.365 -10.065 738 3HB ALA 98 3HB ALA 98 0.142 14.123 -8.512 739 H GLN 99 H GLN 99 0.524 10.217 -8.378 740 HA GLN 99 HA GLN 99 -0.446 8.876 -10.717 741 1HB GLN 99 1HB GLN 99 1.819 8.629 -9.584 742 2HB GLN 99 2HB GLN 99 1.043 7.755 -8.282 743 1HG GLN 99 1HG GLN 99 2.116 6.224 -9.881 744 2HG GLN 99 2HG GLN 99 0.396 5.949 -9.773 745 1HE2 GLN 99 1HE2 GLN 99 2.545 8.198 -11.724 746 2HE2 GLN 99 2HE2 GLN 99 1.809 7.727 -13.248 747 H LEU 100 H LEU 100 -1.286 8.698 -7.312 748 HA LEU 100 HA LEU 100 -3.216 6.513 -7.783 749 1HB LEU 100 1HB LEU 100 -1.606 7.410 -5.612 750 2HB LEU 100 2HB LEU 100 -3.256 7.677 -5.130 751 HG LEU 100 HG LEU 100 -3.680 5.218 -5.771 752 1HD1 LEU 100 1HD1 LEU 100 -0.627 5.191 -5.987 753 2HD1 LEU 100 2HD1 LEU 100 -1.700 3.774 -6.070 754 3HD1 LEU 100 3HD1 LEU 100 -1.729 4.985 -7.358 755 1HD2 LEU 100 1HD2 LEU 100 -3.166 5.887 -3.438 756 2HD2 LEU 100 2HD2 LEU 100 -2.488 4.300 -3.815 757 3HD2 LEU 100 3HD2 LEU 100 -1.429 5.729 -3.759 758 H ALA 101 H ALA 101 -3.432 9.722 -8.493 759 HA ALA 101 HA ALA 101 -5.577 10.673 -7.040 760 1HB ALA 101 1HB ALA 101 -5.817 12.350 -8.828 761 2HB ALA 101 2HB ALA 101 -4.119 12.085 -8.413 762 3HB ALA 101 3HB ALA 101 -4.794 11.370 -9.898 763 H ASP 102 H ASP 102 -5.863 8.287 -9.714 764 HA ASP 102 HA ASP 102 -8.615 9.011 -10.263 765 1HB ASP 102 1HB ASP 102 -7.800 6.127 -10.547 766 2HB ASP 102 2HB ASP 102 -8.609 7.171 -11.705 767 H VAL 103 H VAL 103 -7.119 7.308 -7.647 768 HA VAL 103 HA VAL 103 -9.772 6.576 -6.550 769 HB VAL 103 HB VAL 103 -7.923 4.872 -5.401 770 1HG1 VAL 103 1HG1 VAL 103 -9.726 4.340 -7.791 771 2HG1 VAL 103 2HG1 VAL 103 -9.113 3.115 -6.661 772 3HG1 VAL 103 3HG1 VAL 103 -10.228 4.372 -6.087 773 1HG2 VAL 103 1HG2 VAL 103 -6.745 3.653 -7.139 774 2HG2 VAL 103 2HG2 VAL 103 -7.276 4.802 -8.372 775 3HG2 VAL 103 3HG2 VAL 103 -6.167 5.321 -7.082 776 H LEU 104 H LEU 104 -7.040 8.522 -6.113 777 HA LEU 104 HA LEU 104 -8.040 9.146 -3.432 778 1HB LEU 104 1HB LEU 104 -5.431 9.488 -4.925 779 2HB LEU 104 2HB LEU 104 -5.830 10.633 -3.698 780 HG LEU 104 HG LEU 104 -4.418 8.839 -2.809 781 1HD1 LEU 104 1HD1 LEU 104 -5.718 8.289 -0.839 782 2HD1 LEU 104 2HD1 LEU 104 -6.127 9.952 -1.358 783 3HD1 LEU 104 3HD1 LEU 104 -7.241 8.604 -1.666 784 1HD2 LEU 104 1HD2 LEU 104 -5.085 6.578 -2.530 785 2HD2 LEU 104 2HD2 LEU 104 -6.676 6.865 -3.221 786 3HD2 LEU 104 3HD2 LEU 104 -5.247 6.957 -4.263 787 H GLN 105 H GLN 105 -8.875 10.002 -6.456 788 HA GLN 105 HA GLN 105 -9.333 12.737 -6.446 789 1HB GLN 105 2HB GLN 105 -9.936 11.603 -8.384 790 2HB GLN 105 3HB GLN 105 -10.746 10.336 -7.518 791 1HG GLN 105 2HG GLN 105 -12.406 11.579 -8.673 792 2HG GLN 105 3HG GLN 105 -12.629 11.960 -6.982 793 1HE2 GLN 105 1HE2 GLN 105 -11.401 14.108 -6.233 794 2HE2 GLN 105 2HE2 GLN 105 -11.508 15.420 -7.430 Start of MODEL 7 1 1H ALA 1 H ALA 1 -9.766 4.656 5.718 2 2H ALA 1 2HN ALA 1 -10.232 3.077 5.906 3 3H ALA 1 3HN ALA 1 -11.220 4.317 6.419 4 HA ALA 1 HA ALA 1 -9.618 4.992 8.031 5 1HB ALA 1 1HB ALA 1 -9.986 3.117 9.592 6 2HB ALA 1 2HB ALA 1 -11.446 3.428 8.635 7 3HB ALA 1 3HB ALA 1 -10.396 2.048 8.230 8 H THR 2 H THR 2 -7.822 3.734 9.533 9 HA THR 2 HA THR 2 -5.822 2.481 7.761 10 HB THR 2 HB THR 2 -5.229 4.407 10.028 11 HG1 THR 2 1HG THR 2 -4.918 5.924 8.568 12 1HG2 THR 2 1HG2 THR 2 -2.901 4.252 9.071 13 2HG2 THR 2 2HG2 THR 2 -3.461 2.728 9.780 14 3HG2 THR 2 3HG2 THR 2 -3.452 2.928 8.020 15 H MET 3 H MET 3 -4.879 0.612 8.652 16 HA MET 3 HA MET 3 -5.446 -0.148 11.412 17 1HB MET 3 1HB MET 3 -7.459 -0.818 10.158 18 2HB MET 3 2HB MET 3 -6.480 -1.695 8.988 19 1HG MET 3 1HG MET 3 -7.704 -3.077 10.703 20 2HG MET 3 2HG MET 3 -5.998 -3.410 10.511 21 1HE MET 3 1HE MET 3 -5.564 -4.726 12.642 22 2HE MET 3 2HE MET 3 -6.226 -4.302 14.235 23 3HE MET 3 3HE MET 3 -7.325 -4.735 12.906 24 H THR 4 H THR 4 -4.392 -2.557 11.622 25 HA THR 4 HA THR 4 -1.778 -2.575 10.178 26 HB THR 4 HB THR 4 -2.566 -3.911 12.768 27 HG1 THR 4 1HG THR 4 -2.254 -1.544 12.615 28 1HG2 THR 4 1HG2 THR 4 -0.788 -5.196 11.629 29 2HG2 THR 4 2HG2 THR 4 0.146 -3.703 11.372 30 3HG2 THR 4 3HG2 THR 4 -0.120 -4.325 13.015 31 H LEU 5 H LEU 5 -1.247 -4.490 8.972 32 HA LEU 5 HA LEU 5 -3.591 -6.252 8.511 33 1HB LEU 5 1HB LEU 5 -2.199 -4.474 6.760 34 2HB LEU 5 2HB LEU 5 -1.662 -6.083 6.352 35 HG LEU 5 HG LEU 5 -3.937 -6.829 5.996 36 1HD1 LEU 5 1HD1 LEU 5 -5.501 -4.440 5.949 37 2HD1 LEU 5 2HD1 LEU 5 -5.698 -5.861 6.949 38 3HD1 LEU 5 3HD1 LEU 5 -4.731 -4.511 7.537 39 1HD2 LEU 5 1HD2 LEU 5 -4.528 -5.221 4.059 40 2HD2 LEU 5 2HD2 LEU 5 -3.109 -4.280 4.552 41 3HD2 LEU 5 3HD2 LEU 5 -2.939 -5.961 4.030 42 H THR 6 H THR 6 -3.015 -8.388 7.591 43 HA THR 6 HA THR 6 -0.396 -9.378 8.212 44 HB THR 6 HB THR 6 -1.332 -9.682 10.367 45 HG1 THR 6 1HG THR 6 -0.360 -11.623 9.091 46 1HG2 THR 6 1HG2 THR 6 -3.749 -11.085 9.152 47 2HG2 THR 6 2HG2 THR 6 -3.358 -10.968 10.874 48 3HG2 THR 6 3HG2 THR 6 -3.739 -9.500 9.972 49 H ASP 7 H ASP 7 -2.264 -12.099 7.884 50 HA ASP 7 HA ASP 7 -2.314 -11.899 4.941 51 1HB ASP 7 1HB ASP 7 -2.388 -14.344 5.003 52 2HB ASP 7 2HB ASP 7 -1.019 -13.742 5.925 53 H ALA 8 H ALA 8 -4.363 -13.314 7.513 54 HA ALA 8 HA ALA 8 -6.743 -13.491 6.058 55 1HB ALA 8 1HB ALA 8 -6.355 -14.508 8.280 56 2HB ALA 8 2HB ALA 8 -6.365 -12.898 9.032 57 3HB ALA 8 3HB ALA 8 -7.845 -13.536 8.284 58 H ASN 9 H ASN 9 -5.481 -10.751 7.877 59 HA ASN 9 HA ASN 9 -7.906 -9.166 7.564 60 1HB ASN 9 1HB ASN 9 -6.225 -9.002 9.508 61 2HB ASN 9 2HB ASN 9 -5.243 -8.044 8.385 62 1HD2 ASN 9 1HD2 ASN 9 -5.535 -5.950 9.765 63 2HD2 ASN 9 2HD2 ASN 9 -7.165 -5.322 9.756 64 H PHE 10 H PHE 10 -5.051 -9.787 5.658 65 HA PHE 10 HA PHE 10 -5.275 -7.354 4.066 66 1HB PHE 10 1HB PHE 10 -3.115 -8.562 4.382 67 2HB PHE 10 2HB PHE 10 -3.760 -9.924 3.503 68 HD1 PHE 10 1HD PHE 10 -4.705 -6.707 1.946 69 HD2 PHE 10 2HD PHE 10 -1.502 -9.601 2.318 70 HE1 PHE 10 1HE PHE 10 -3.781 -5.972 -0.177 71 HE2 PHE 10 2HE PHE 10 -0.630 -8.896 0.189 72 HZ PHE 10 HZ PHE 10 -1.747 -7.081 -1.121 73 H GLN 11 H GLN 11 -6.111 -10.847 3.679 74 HA GLN 11 HA GLN 11 -7.506 -10.460 1.203 75 1HB GLN 11 1HB GLN 11 -7.945 -12.608 3.331 76 2HB GLN 11 2HB GLN 11 -8.594 -12.614 1.683 77 1HG GLN 11 1HG GLN 11 -6.150 -12.396 0.890 78 2HG GLN 11 2HG GLN 11 -5.696 -12.841 2.543 79 1HE2 GLN 11 1HE2 GLN 11 -4.982 -14.417 0.274 80 2HE2 GLN 11 2HE2 GLN 11 -5.887 -15.931 0.372 81 H GLN 12 H GLN 12 -8.670 -10.132 4.611 82 HA GLN 12 HA GLN 12 -11.387 -9.525 3.782 83 1HB GLN 12 1HB GLN 12 -9.824 -8.659 6.259 84 2HB GLN 12 2HB GLN 12 -11.523 -8.287 5.971 85 1HG GLN 12 1HG GLN 12 -10.331 -11.058 6.344 86 2HG GLN 12 2HG GLN 12 -11.384 -10.186 7.446 87 1HE2 GLN 12 1HE2 GLN 12 -11.288 -12.431 4.833 88 2HE2 GLN 12 2HE2 GLN 12 -13.017 -12.422 4.508 89 H ALA 13 H ALA 13 -8.513 -7.371 4.377 90 HA ALA 13 HA ALA 13 -9.874 -4.976 3.940 91 1HB ALA 13 1HB ALA 13 -7.597 -5.062 4.824 92 2HB ALA 13 2HB ALA 13 -6.976 -5.623 3.253 93 3HB ALA 13 3HB ALA 13 -7.668 -3.998 3.408 94 H ILE 14 H ILE 14 -8.223 -6.997 1.454 95 HA ILE 14 HA ILE 14 -8.814 -5.248 -0.716 96 HB ILE 14 HB ILE 14 -8.180 -7.106 -2.182 97 1HG1 ILE 14 1HG1 ILE 14 -8.190 -8.785 0.280 98 2HG1 ILE 14 2HG1 ILE 14 -9.257 -8.952 -1.106 99 1HG2 ILE 14 1HG2 ILE 14 -6.518 -5.630 -1.030 100 2HG2 ILE 14 2HG2 ILE 14 -6.313 -6.901 0.188 101 3HG2 ILE 14 3HG2 ILE 14 -5.888 -7.208 -1.507 102 1HD1 ILE 14 1HD1 ILE 14 -6.263 -9.494 -1.038 103 2HD1 ILE 14 2HD1 ILE 14 -7.579 -10.651 -1.303 104 3HD1 ILE 14 3HD1 ILE 14 -7.217 -9.429 -2.538 105 H GLN 15 H GLN 15 -11.213 -6.846 1.011 106 HA GLN 15 HA GLN 15 -12.999 -7.682 -0.991 107 1HB GLN 15 1HB GLN 15 -14.711 -7.456 0.631 108 2HB GLN 15 2HB GLN 15 -13.252 -7.974 1.464 109 1HG GLN 15 1HG GLN 15 -12.922 -5.416 1.991 110 2HG GLN 15 2HG GLN 15 -14.599 -5.239 1.491 111 1HE2 GLN 15 1HE2 GLN 15 -15.020 -8.158 2.804 112 2HE2 GLN 15 2HE2 GLN 15 -15.125 -7.717 4.502 113 H GLY 16 H GLY 16 -12.090 -4.386 -0.022 114 1HA GLY 16 1HA GLY 16 -11.989 -2.592 -1.462 115 2HA GLY 16 2HA GLY 16 -12.545 -3.709 -2.690 116 H ASP 17 H ASP 17 -13.958 -2.697 -3.790 117 HA ASP 17 HA ASP 17 -15.496 -1.382 -4.634 118 1HB ASP 17 1HB ASP 17 -17.217 -2.395 -3.251 119 2HB ASP 17 2HB ASP 17 -16.844 -1.281 -1.921 120 H GLY 18 H GLY 18 -14.484 -0.340 -1.468 121 1HA GLY 18 1HA GLY 18 -14.033 2.481 -2.295 122 2HA GLY 18 2HA GLY 18 -13.695 1.790 -0.696 123 HA PRO 19 HA PRO 19 -9.763 1.788 -3.450 124 1HB PRO 19 1HB PRO 19 -8.525 4.020 -2.150 125 2HB PRO 19 2HB PRO 19 -9.145 3.910 -3.802 126 1HG PRO 19 1HG PRO 19 -10.324 5.287 -1.516 127 2HG PRO 19 2HG PRO 19 -10.740 5.435 -3.227 128 1HD PRO 19 1HD PRO 19 -12.198 4.052 -1.194 129 2HD PRO 19 2HD PRO 19 -12.529 4.062 -2.949 130 H VAL 20 H VAL 20 -8.914 -0.038 -2.509 131 HA VAL 20 HA VAL 20 -8.106 0.043 0.338 132 HB VAL 20 HB VAL 20 -8.460 -2.186 -1.670 133 1HG1 VAL 20 1HG1 VAL 20 -6.395 -2.774 -0.445 134 2HG1 VAL 20 2HG1 VAL 20 -7.110 -2.249 1.092 135 3HG1 VAL 20 3HG1 VAL 20 -7.712 -3.697 0.277 136 1HG2 VAL 20 1HG2 VAL 20 -10.123 -2.940 -0.222 137 2HG2 VAL 20 2HG2 VAL 20 -9.604 -1.887 1.117 138 3HG2 VAL 20 3HG2 VAL 20 -10.403 -1.204 -0.316 139 H LEU 21 H LEU 21 -6.256 0.948 0.554 140 HA LEU 21 HA LEU 21 -4.011 0.514 -1.409 141 1HB LEU 21 1HB LEU 21 -4.416 2.273 1.014 142 2HB LEU 21 2HB LEU 21 -2.800 1.891 0.416 143 HG LEU 21 HG LEU 21 -3.229 2.984 -1.690 144 1HD1 LEU 21 1HD1 LEU 21 -5.277 4.429 -1.983 145 2HD1 LEU 21 2HD1 LEU 21 -5.599 2.691 -2.099 146 3HD1 LEU 21 3HD1 LEU 21 -6.004 3.570 -0.610 147 1HD2 LEU 21 1HD2 LEU 21 -4.128 4.679 0.684 148 2HD2 LEU 21 2HD2 LEU 21 -2.456 4.218 0.347 149 3HD2 LEU 21 3HD2 LEU 21 -3.342 5.264 -0.796 150 H VAL 22 H VAL 22 -2.230 -0.696 -0.726 151 HA VAL 22 HA VAL 22 -2.284 -1.810 2.026 152 HB VAL 22 HB VAL 22 -2.762 -3.433 0.135 153 1HG1 VAL 22 1HG1 VAL 22 -1.350 -2.550 -1.580 154 2HG1 VAL 22 2HG1 VAL 22 0.121 -2.967 -0.664 155 3HG1 VAL 22 3HG1 VAL 22 -0.966 -4.241 -1.257 156 1HG2 VAL 22 1HG2 VAL 22 -1.198 -5.146 0.981 157 2HG2 VAL 22 2HG2 VAL 22 -0.202 -3.900 1.735 158 3HG2 VAL 22 3HG2 VAL 22 -1.867 -4.176 2.308 159 H ASP 23 H ASP 23 -0.260 -1.619 3.127 160 HA ASP 23 HA ASP 23 1.992 -0.404 1.529 161 1HB ASP 23 1HB ASP 23 1.314 0.838 3.560 162 2HB ASP 23 2HB ASP 23 1.468 -0.551 4.497 163 H PHE 24 H PHE 24 3.098 -2.041 0.650 164 HA PHE 24 HA PHE 24 3.904 -4.367 2.315 165 1HB PHE 24 1HB PHE 24 4.307 -3.708 -0.611 166 2HB PHE 24 2HB PHE 24 5.053 -5.059 0.187 167 HD1 PHE 24 1HD PHE 24 3.578 -6.718 1.430 168 HD2 PHE 24 2HD PHE 24 2.144 -4.031 -1.610 169 HE1 PHE 24 1HE PHE 24 2.076 -8.487 0.578 170 HE2 PHE 24 2HE PHE 24 0.541 -5.748 -2.372 171 HZ PHE 24 HZ PHE 24 0.691 -8.084 -1.372 172 H TRP 25 H TRP 25 5.451 -3.810 3.608 173 HA TRP 25 HA TRP 25 7.827 -2.369 2.619 174 1HB TRP 25 1HB TRP 25 7.985 -0.997 4.535 175 2HB TRP 25 2HB TRP 25 6.333 -0.800 3.996 176 HD1 TRP 25 HD TRP 25 4.552 -2.582 5.395 177 HE1 TRP 25 1HE TRP 25 4.538 -3.246 7.869 178 HE3 TRP 25 3HE TRP 25 9.216 -0.948 6.672 179 HZ2 TRP 25 2HZ TRP 25 6.389 -3.160 10.124 180 HZ3 TRP 25 3HZ TRP 25 10.075 -1.261 8.976 181 HH2 TRP 25 HH TRP 25 8.671 -2.374 10.705 182 H ALA 26 H ALA 26 9.528 -2.763 4.694 183 HA ALA 26 HA ALA 26 8.968 -4.971 6.329 184 1HB ALA 26 1HB ALA 26 11.148 -5.362 4.213 185 2HB ALA 26 2HB ALA 26 10.873 -6.421 5.617 186 3HB ALA 26 3HB ALA 26 9.653 -6.313 4.351 187 H ALA 27 H ALA 27 11.017 -5.344 7.744 188 HA ALA 27 HA ALA 27 11.852 -2.812 8.708 189 1HB ALA 27 1HB ALA 27 13.084 -5.553 9.213 190 2HB ALA 27 2HB ALA 27 13.337 -4.095 10.196 191 3HB ALA 27 3HB ALA 27 11.726 -4.829 10.107 192 H TRP 28 H TRP 28 13.459 -5.011 6.414 193 HA TRP 28 HA TRP 28 16.012 -3.703 6.806 194 1HB TRP 28 1HB TRP 28 16.908 -5.598 6.092 195 2HB TRP 28 2HB TRP 28 15.323 -6.267 6.385 196 HD1 TRP 28 HD TRP 28 17.820 -5.410 3.723 197 HE1 TRP 28 1HE TRP 28 17.108 -6.227 1.411 198 HE3 TRP 28 3HE TRP 28 13.068 -7.008 4.837 199 HZ2 TRP 28 2HZ TRP 28 14.714 -7.214 0.144 200 HZ3 TRP 28 3HZ TRP 28 11.567 -7.815 3.007 201 HH2 TRP 28 HH TRP 28 12.393 -7.884 0.681 202 H CYS 29 H CYS 29 13.511 -3.355 4.427 203 HA CYS 29 HA CYS 29 15.103 -3.225 2.099 204 1HB CYS 29 1HB CYS 29 12.873 -2.556 1.066 205 2HB CYS 29 2HB CYS 29 13.034 -4.114 1.851 206 H GLY 30 H GLY 30 16.122 -1.199 3.751 207 1HA GLY 30 1HA GLY 30 16.789 1.004 3.827 208 2HA GLY 30 2HA GLY 30 17.000 0.698 2.113 209 HA PRO 31 HA PRO 31 14.429 4.283 1.484 210 1HB PRO 31 1HB PRO 31 13.219 3.702 -0.956 211 2HB PRO 31 2HB PRO 31 14.892 4.307 -0.743 212 1HG PRO 31 1HG PRO 31 13.951 1.442 -1.074 213 2HG PRO 31 2HG PRO 31 15.295 2.273 -1.927 214 1HD PRO 31 1HD PRO 31 15.809 0.698 0.182 215 2HD PRO 31 2HD PRO 31 16.646 2.270 0.045 216 H CYS 32 H CYS 32 12.872 1.085 1.502 217 HA CYS 32 HA CYS 32 10.175 2.031 1.626 218 1HB CYS 32 1HB CYS 32 9.618 -0.063 2.635 219 2HB CYS 32 2HB CYS 32 10.856 -0.375 1.425 220 H ARG 33 H ARG 33 12.765 2.017 4.037 221 HA ARG 33 HA ARG 33 11.057 2.654 6.274 222 1HB ARG 33 1HB ARG 33 13.623 1.659 5.968 223 2HB ARG 33 2HB ARG 33 13.968 3.346 6.334 224 1HG ARG 33 1HG ARG 33 13.966 2.240 8.418 225 2HG ARG 33 2HG ARG 33 12.392 3.047 8.366 226 1HD ARG 33 1HD ARG 33 11.398 0.848 7.548 227 2HD ARG 33 2HD ARG 33 12.979 0.100 7.765 228 HE ARG 33 HE ARG 33 11.211 1.250 9.863 229 1HH1 ARG 33 2HH2 ARG 33 13.857 -1.085 9.125 230 2HH1 ARG 33 1HH2 ARG 33 14.184 -1.381 10.788 231 1HH2 ARG 33 2HH1 ARG 33 11.557 0.641 12.035 232 2HH2 ARG 33 1HH1 ARG 33 12.771 -0.513 12.444 233 H MET 34 H MET 34 12.020 4.550 3.594 234 HA MET 34 HA MET 34 11.579 7.055 5.081 235 1HB MET 34 1HB MET 34 12.743 6.583 2.307 236 2HB MET 34 2HB MET 34 12.530 8.155 3.091 237 1HG MET 34 1HG MET 34 14.051 7.382 4.930 238 2HG MET 34 2HG MET 34 14.392 5.925 3.993 239 1HE MET 34 1HE MET 34 15.972 5.875 1.814 240 2HE MET 34 2HE MET 34 14.663 6.797 1.027 241 3HE MET 34 3HE MET 34 16.348 7.342 0.889 242 H MET 35 H MET 35 10.041 4.771 3.132 243 HA MET 35 HA MET 35 8.136 6.603 1.839 244 1HB MET 35 1HB MET 35 9.344 4.576 0.755 245 2HB MET 35 2HB MET 35 8.243 3.561 1.672 246 1HG MET 35 1HG MET 35 7.079 5.779 -0.008 247 2HG MET 35 2HG MET 35 7.839 4.422 -0.830 248 1HE MET 35 1HE MET 35 4.431 3.166 -1.641 249 2HE MET 35 2HE MET 35 5.261 4.719 -1.904 250 3HE MET 35 3HE MET 35 6.147 3.193 -2.100 251 H ALA 36 H ALA 36 8.353 3.960 4.264 252 HA ALA 36 HA ALA 36 5.719 3.860 5.165 253 1HB ALA 36 1HB ALA 36 7.359 2.273 5.895 254 2HB ALA 36 2HB ALA 36 8.323 3.527 6.698 255 3HB ALA 36 3HB ALA 36 6.712 3.109 7.318 256 HA PRO 37 HA PRO 37 6.333 7.537 8.185 257 1HB PRO 37 1HB PRO 37 8.327 9.383 7.749 258 2HB PRO 37 2HB PRO 37 8.473 7.967 8.838 259 1HG PRO 37 1HG PRO 37 9.359 8.194 5.948 260 2HG PRO 37 2HG PRO 37 10.310 7.599 7.345 261 1HD PRO 37 1HD PRO 37 9.094 5.845 5.727 262 2HD PRO 37 2HD PRO 37 9.015 5.604 7.492 263 H VAL 38 H VAL 38 7.003 7.860 4.671 264 HA VAL 38 HA VAL 38 5.530 10.356 4.448 265 HB VAL 38 HB VAL 38 7.057 8.607 2.741 266 1HG1 VAL 38 1HG1 VAL 38 5.009 7.919 1.637 267 2HG1 VAL 38 2HG1 VAL 38 4.497 9.616 1.461 268 3HG1 VAL 38 3HG1 VAL 38 5.929 9.001 0.597 269 1HG2 VAL 38 1HG2 VAL 38 7.444 10.666 1.506 270 2HG2 VAL 38 2HG2 VAL 38 6.102 11.459 2.364 271 3HG2 VAL 38 3HG2 VAL 38 7.559 10.953 3.247 272 H LEU 39 H LEU 39 4.770 6.882 4.051 273 HA LEU 39 HA LEU 39 2.057 7.131 3.374 274 1HB LEU 39 1HB LEU 39 3.914 5.017 4.278 275 2HB LEU 39 2HB LEU 39 2.250 4.730 4.724 276 HG LEU 39 HG LEU 39 1.496 4.730 2.466 277 1HD1 LEU 39 1HD1 LEU 39 2.734 6.540 1.399 278 2HD1 LEU 39 2HD1 LEU 39 4.268 5.679 1.647 279 3HD1 LEU 39 3HD1 LEU 39 3.051 5.037 0.532 280 1HD2 LEU 39 1HD2 LEU 39 4.179 3.278 2.669 281 2HD2 LEU 39 2HD2 LEU 39 2.627 2.716 3.302 282 3HD2 LEU 39 3HD2 LEU 39 2.870 2.863 1.552 283 H GLU 40 H GLU 40 3.658 7.013 6.495 284 HA GLU 40 HA GLU 40 1.392 6.763 8.196 285 1HB GLU 40 1HB GLU 40 4.308 7.357 8.389 286 2HB GLU 40 2HB GLU 40 3.387 7.992 9.705 287 1HG GLU 40 1HG GLU 40 4.187 5.836 10.337 288 2HG GLU 40 2HG GLU 40 2.442 5.733 10.161 289 H GLU 41 H GLU 41 2.310 9.374 6.308 290 HA GLU 41 HA GLU 41 0.558 11.217 7.868 291 1HB GLU 41 1HB GLU 41 2.783 12.120 7.627 292 2HB GLU 41 2HB GLU 41 2.813 11.812 5.898 293 1HG GLU 41 1HG GLU 41 0.722 13.661 7.101 294 2HG GLU 41 2HG GLU 41 2.368 14.225 6.833 295 H PHE 42 H PHE 42 1.433 10.182 4.560 296 HA PHE 42 HA PHE 42 -0.636 11.167 3.045 297 1HB PHE 42 1HB PHE 42 1.313 9.850 2.190 298 2HB PHE 42 2HB PHE 42 0.694 8.476 3.053 299 HD1 PHE 42 1HD PHE 42 -0.066 6.734 1.779 300 HD2 PHE 42 2HD PHE 42 -0.769 10.780 0.421 301 HE1 PHE 42 1HE PHE 42 -1.215 5.891 -0.195 302 HE2 PHE 42 2HE PHE 42 -1.980 9.902 -1.532 303 HZ PHE 42 HZ PHE 42 -2.315 7.465 -1.798 304 H ALA 43 H ALA 43 -0.761 8.063 4.899 305 HA ALA 43 HA ALA 43 -3.289 7.199 4.104 306 1HB ALA 43 1HB ALA 43 -1.779 6.904 6.747 307 2HB ALA 43 2HB ALA 43 -3.244 6.004 6.353 308 3HB ALA 43 3HB ALA 43 -1.768 5.783 5.378 309 H GLU 44 H GLU 44 -2.524 8.902 7.125 310 HA GLU 44 HA GLU 44 -5.142 9.388 7.958 311 1HB GLU 44 1HB GLU 44 -2.408 10.277 8.720 312 2HB GLU 44 2HB GLU 44 -3.769 11.236 9.322 313 1HG GLU 44 1HG GLU 44 -3.211 9.363 10.843 314 2HG GLU 44 2HG GLU 44 -4.861 9.294 10.266 315 H ALA 45 H ALA 45 -3.018 11.419 5.902 316 HA ALA 45 HA ALA 45 -4.579 13.753 5.855 317 1HB ALA 45 1HB ALA 45 -3.467 14.240 3.727 318 2HB ALA 45 2HB ALA 45 -2.317 13.525 4.879 319 3HB ALA 45 3HB ALA 45 -2.987 12.543 3.555 320 H HIS 46 H HIS 46 -5.381 10.682 4.478 321 HA HIS 46 HA HIS 46 -7.983 11.791 3.630 322 1HB HIS 46 1HB HIS 46 -7.897 10.324 1.567 323 2HB HIS 46 2HB HIS 46 -6.869 11.755 1.530 324 HD1 HIS 46 1HD HIS 46 -6.265 8.173 2.800 325 HD2 HIS 46 2HD HIS 46 -4.512 11.251 0.520 326 HE1 HIS 46 1HE HIS 46 -3.947 7.298 1.962 327 HE2 HIS 46 2HE HIS 46 -2.943 9.205 0.584 328 H ALA 47 H ALA 47 -7.442 10.637 6.015 329 HA ALA 47 HA ALA 47 -7.052 8.068 6.420 330 1HB ALA 47 1HB ALA 47 -9.124 9.672 7.976 331 2HB ALA 47 2HB ALA 47 -8.233 8.246 8.554 332 3HB ALA 47 3HB ALA 47 -7.367 9.752 8.216 333 H ASP 48 H ASP 48 -10.315 9.256 5.541 334 HA ASP 48 HA ASP 48 -11.139 6.413 5.269 335 1HB ASP 48 1HB ASP 48 -11.928 7.837 7.356 336 2HB ASP 48 2HB ASP 48 -13.132 8.440 6.212 337 H LYS 49 H LYS 49 -10.613 9.015 3.314 338 HA LYS 49 HA LYS 49 -12.804 8.410 1.450 339 1HB LYS 49 1HB LYS 49 -11.528 10.496 1.161 340 2HB LYS 49 2HB LYS 49 -10.026 9.581 0.949 341 1HG LYS 49 1HG LYS 49 -10.815 8.542 -1.079 342 2HG LYS 49 2HG LYS 49 -12.447 9.171 -0.863 343 1HD LYS 49 1HD LYS 49 -10.018 10.948 -1.376 344 2HD LYS 49 2HD LYS 49 -11.004 10.213 -2.645 345 1HE LYS 49 1HE LYS 49 -13.045 11.299 -1.488 346 2HE LYS 49 2HE LYS 49 -11.865 12.292 -0.606 347 1HZ LYS 49 1HZ LYS 49 -12.528 13.429 -2.640 348 2HZ LYS 49 2HZ LYS 49 -10.974 12.870 -2.888 349 3HZ LYS 49 3HZ LYS 49 -12.210 12.107 -3.555 350 H VAL 50 H VAL 50 -9.644 7.128 2.377 351 HA VAL 50 HA VAL 50 -10.027 4.838 0.517 352 HB VAL 50 HB VAL 50 -7.724 4.591 0.306 353 1HG1 VAL 50 1HG1 VAL 50 -7.953 7.625 0.366 354 2HG1 VAL 50 2HG1 VAL 50 -6.818 6.635 -0.578 355 3HG1 VAL 50 3HG1 VAL 50 -8.541 6.598 -0.957 356 1HG2 VAL 50 1HG2 VAL 50 -6.897 4.765 2.559 357 2HG2 VAL 50 2HG2 VAL 50 -6.004 5.907 1.575 358 3HG2 VAL 50 3HG2 VAL 50 -7.317 6.478 2.650 359 H THR 51 H THR 51 -8.887 2.798 1.477 360 HA THR 51 HA THR 51 -8.634 3.054 4.318 361 HB THR 51 HB THR 51 -10.859 1.895 3.706 362 HG1 THR 51 1HG THR 51 -9.172 0.615 5.556 363 1HG2 THR 51 1HG2 THR 51 -10.757 -0.524 3.524 364 2HG2 THR 51 2HG2 THR 51 -9.924 0.233 2.149 365 3HG2 THR 51 3HG2 THR 51 -8.978 -0.487 3.471 366 H VAL 52 H VAL 52 -6.744 2.277 5.080 367 HA VAL 52 HA VAL 52 -5.051 0.732 3.228 368 HB VAL 52 HB VAL 52 -4.708 3.074 2.961 369 1HG1 VAL 52 1HG1 VAL 52 -5.327 4.004 5.134 370 2HG1 VAL 52 2HG1 VAL 52 -3.836 3.338 5.828 371 3HG1 VAL 52 3HG1 VAL 52 -3.762 4.582 4.565 372 1HG2 VAL 52 1HG2 VAL 52 -2.328 3.199 3.019 373 2HG2 VAL 52 2HG2 VAL 52 -2.227 2.050 4.361 374 3HG2 VAL 52 3HG2 VAL 52 -2.742 1.496 2.757 375 H ALA 53 H ALA 53 -3.143 -0.143 4.286 376 HA ALA 53 HA ALA 53 -2.907 -0.129 7.093 377 1HB ALA 53 1HB ALA 53 -3.335 -2.604 7.455 378 2HB ALA 53 2HB ALA 53 -4.817 -1.721 7.072 379 3HB ALA 53 3HB ALA 53 -4.015 -2.666 5.808 380 H LYS 54 H LYS 54 -1.085 -1.686 7.730 381 HA LYS 54 HA LYS 54 0.671 -2.119 5.373 382 1HB LYS 54 1HB LYS 54 2.544 -1.417 6.444 383 2HB LYS 54 2HB LYS 54 1.323 -0.162 6.670 384 1HG LYS 54 1HG LYS 54 1.007 -0.888 9.023 385 2HG LYS 54 2HG LYS 54 2.181 -2.205 8.770 386 1HD LYS 54 1HD LYS 54 3.381 -0.402 9.753 387 2HD LYS 54 2HD LYS 54 3.877 -0.506 8.052 388 1HE LYS 54 1HE LYS 54 1.583 1.256 8.294 389 2HE LYS 54 2HE LYS 54 2.795 1.759 9.468 390 1HZ LYS 54 1HZ LYS 54 4.300 2.222 7.818 391 2HZ LYS 54 2HZ LYS 54 3.476 1.375 6.586 392 3HZ LYS 54 3HZ LYS 54 2.952 2.812 7.310 393 H LEU 55 H LEU 55 1.992 -3.671 5.204 394 HA LEU 55 HA LEU 55 2.157 -5.637 7.416 395 1HB LEU 55 1HB LEU 55 2.014 -7.556 5.898 396 2HB LEU 55 2HB LEU 55 0.505 -6.745 6.236 397 HG LEU 55 HG LEU 55 1.856 -5.892 3.689 398 1HD1 LEU 55 1HD1 LEU 55 0.703 -8.694 4.093 399 2HD1 LEU 55 2HD1 LEU 55 0.912 -7.927 2.511 400 3HD1 LEU 55 3HD1 LEU 55 2.327 -8.253 3.518 401 1HD2 LEU 55 1HD2 LEU 55 -0.424 -5.115 4.332 402 2HD2 LEU 55 2HD2 LEU 55 -0.462 -6.133 2.871 403 3HD2 LEU 55 3HD2 LEU 55 -0.949 -6.830 4.403 404 H ASN 56 H ASN 56 4.014 -6.578 7.685 405 HA ASN 56 HA ASN 56 6.401 -5.651 6.270 406 1HB ASN 56 1HB ASN 56 6.499 -5.833 8.688 407 2HB ASN 56 2HB ASN 56 5.827 -7.462 8.646 408 1HD2 ASN 56 1HD2 ASN 56 7.620 -8.249 9.921 409 2HD2 ASN 56 2HD2 ASN 56 9.197 -8.456 9.148 410 H VAL 57 H VAL 57 6.515 -6.549 4.261 411 HA VAL 57 HA VAL 57 5.039 -8.763 3.455 412 HB VAL 57 HB VAL 57 5.961 -6.793 2.189 413 1HG1 VAL 57 1HG1 VAL 57 8.373 -7.045 2.525 414 2HG1 VAL 57 2HG1 VAL 57 8.352 -8.657 1.771 415 3HG1 VAL 57 3HG1 VAL 57 8.014 -7.245 0.800 416 1HG2 VAL 57 1HG2 VAL 57 5.658 -7.798 0.084 417 2HG2 VAL 57 2HG2 VAL 57 6.106 -9.404 0.690 418 3HG2 VAL 57 3HG2 VAL 57 4.602 -8.644 1.218 419 H ASP 58 H ASP 58 8.210 -8.684 4.829 420 HA ASP 58 HA ASP 58 9.273 -11.178 3.883 421 1HB ASP 58 1HB ASP 58 10.434 -9.062 4.768 422 2HB ASP 58 2HB ASP 58 9.972 -9.604 6.370 423 H GLU 59 H GLU 59 7.094 -10.298 6.260 424 HA GLU 59 HA GLU 59 7.331 -12.768 7.937 425 1HB GLU 59 1HB GLU 59 7.739 -10.866 9.248 426 2HB GLU 59 2HB GLU 59 6.651 -9.883 8.284 427 1HG GLU 59 1HG GLU 59 4.717 -11.265 9.363 428 2HG GLU 59 2HG GLU 59 5.928 -11.665 10.573 429 H ASN 60 H ASN 60 5.033 -10.532 6.303 430 HA ASN 60 HA ASN 60 2.816 -12.473 6.657 431 1HB ASN 60 1HB ASN 60 3.074 -9.506 7.024 432 2HB ASN 60 2HB ASN 60 1.667 -10.069 6.165 433 1HD2 ASN 60 1HD2 ASN 60 2.973 -9.679 9.454 434 2HD2 ASN 60 2HD2 ASN 60 1.684 -10.616 10.151 435 HA PRO 61 HA PRO 61 4.302 -12.341 2.308 436 1HB PRO 61 1HB PRO 61 3.317 -14.929 1.647 437 2HB PRO 61 2HB PRO 61 4.972 -14.496 2.104 438 1HG PRO 61 1HG PRO 61 2.733 -15.589 3.808 439 2HG PRO 61 2HG PRO 61 4.487 -15.925 3.936 440 1HD PRO 61 1HD PRO 61 3.222 -14.253 5.680 441 2HD PRO 61 2HD PRO 61 4.871 -13.909 5.124 442 H GLU 62 H GLU 62 1.246 -14.136 2.833 443 HA GLU 62 HA GLU 62 -0.553 -14.306 1.462 444 1HB GLU 62 1HB GLU 62 -1.199 -13.192 3.423 445 2HB GLU 62 2HB GLU 62 -0.733 -11.610 2.817 446 1HG GLU 62 1HG GLU 62 -3.244 -12.154 2.785 447 2HG GLU 62 2HG GLU 62 -2.572 -11.538 1.286 448 H THR 63 H THR 63 -0.381 -14.487 -0.683 449 HA THR 63 HA THR 63 -0.544 -14.020 -2.857 450 HB THR 63 HB THR 63 -1.981 -11.610 -1.705 451 HG1 THR 63 1HG THR 63 -3.155 -13.389 -1.239 452 1HG2 THR 63 1HG2 THR 63 -2.018 -12.570 -4.585 453 2HG2 THR 63 2HG2 THR 63 -3.158 -11.426 -3.850 454 3HG2 THR 63 3HG2 THR 63 -1.455 -10.976 -3.998 455 H THR 64 H THR 64 1.510 -12.034 -1.030 456 HA THR 64 HA THR 64 2.938 -10.576 -2.877 457 HB THR 64 HB THR 64 3.855 -12.375 -0.615 458 HG1 THR 64 1HG THR 64 2.974 -10.765 0.282 459 1HG2 THR 64 1HG2 THR 64 5.869 -12.134 -2.065 460 2HG2 THR 64 2HG2 THR 64 5.722 -10.370 -1.919 461 3HG2 THR 64 3HG2 THR 64 6.014 -11.366 -0.491 462 H SER 65 H SER 65 3.249 -14.069 -2.299 463 HA SER 65 HA SER 65 5.223 -14.492 -4.331 464 1HB SER 65 1HB SER 65 5.007 -15.881 -2.302 465 2HB SER 65 2HB SER 65 3.421 -16.451 -2.849 466 HG SER 65 HG SER 65 4.712 -17.009 -4.869 467 H GLN 66 H GLN 66 1.893 -13.782 -4.769 468 HA GLN 66 HA GLN 66 1.706 -15.386 -7.231 469 1HB GLN 66 1HB GLN 66 -0.168 -15.267 -5.612 470 2HB GLN 66 2HB GLN 66 -0.269 -13.541 -5.831 471 1HG GLN 66 1HG GLN 66 -2.011 -14.712 -7.101 472 2HG GLN 66 2HG GLN 66 -0.977 -13.724 -8.120 473 1HE2 GLN 66 1HE2 GLN 66 0.712 -14.845 -9.443 474 2HE2 GLN 66 2HE2 GLN 66 0.350 -16.504 -9.955 475 H PHE 67 H PHE 67 2.111 -12.023 -6.059 476 HA PHE 67 HA PHE 67 2.146 -11.088 -8.899 477 1HB PHE 67 1HB PHE 67 1.486 -9.700 -6.299 478 2HB PHE 67 2HB PHE 67 1.806 -8.830 -7.794 479 HD1 PHE 67 1HD PHE 67 0.168 -8.675 -9.548 480 HD2 PHE 67 2HD PHE 67 -0.503 -11.208 -6.129 481 HE1 PHE 67 1HE PHE 67 -2.218 -8.907 -10.185 482 HE2 PHE 67 2HE PHE 67 -2.895 -11.441 -6.772 483 HZ PHE 67 HZ PHE 67 -3.753 -10.288 -8.799 484 H GLY 68 H GLY 68 4.398 -11.996 -6.586 485 1HA GLY 68 1HA GLY 68 6.684 -11.934 -6.797 486 2HA GLY 68 2HA GLY 68 6.515 -10.848 -8.181 487 H ILE 69 H ILE 69 5.198 -10.361 -4.929 488 HA ILE 69 HA ILE 69 6.035 -7.599 -5.052 489 HB ILE 69 HB ILE 69 4.353 -9.144 -3.069 490 1HG1 ILE 69 1HG1 ILE 69 3.413 -9.233 -5.326 491 2HG1 ILE 69 2HG1 ILE 69 2.398 -8.299 -4.260 492 1HG2 ILE 69 1HG2 ILE 69 4.716 -6.173 -3.237 493 2HG2 ILE 69 2HG2 ILE 69 3.198 -6.910 -2.708 494 3HG2 ILE 69 3HG2 ILE 69 4.650 -7.257 -1.816 495 1HD1 ILE 69 1HD1 ILE 69 3.388 -6.185 -5.191 496 2HD1 ILE 69 2HD1 ILE 69 4.326 -7.165 -6.337 497 3HD1 ILE 69 3HD1 ILE 69 2.554 -7.159 -6.396 498 H MET 70 H MET 70 8.238 -8.825 -4.974 499 HA MET 70 HA MET 70 9.485 -8.276 -2.314 500 1HB MET 70 1HB MET 70 10.150 -10.304 -3.756 501 2HB MET 70 2HB MET 70 10.931 -9.146 -4.844 502 1HG MET 70 1HG MET 70 12.375 -8.386 -2.986 503 2HG MET 70 2HG MET 70 11.493 -9.423 -1.859 504 1HE MET 70 1HE MET 70 13.666 -10.450 -0.914 505 2HE MET 70 2HE MET 70 14.973 -11.126 -1.913 506 3HE MET 70 3HE MET 70 14.614 -9.384 -1.979 507 H SER 71 H SER 71 8.255 -6.516 -4.828 508 HA SER 71 HA SER 71 10.365 -4.769 -5.555 509 1HB SER 71 1HB SER 71 8.371 -3.573 -6.623 510 2HB SER 71 2HB SER 71 8.522 -5.283 -7.041 511 HG SER 71 HG SER 71 6.753 -4.130 -5.101 512 H ILE 72 H ILE 72 9.616 -4.926 -2.614 513 HA ILE 72 HA ILE 72 8.106 -2.686 -2.016 514 HB ILE 72 HB ILE 72 8.426 -3.046 0.283 515 1HG1 ILE 72 1HG1 ILE 72 10.736 -3.439 0.523 516 2HG1 ILE 72 2HG1 ILE 72 9.809 -4.731 1.279 517 1HG2 ILE 72 1HG2 ILE 72 6.922 -4.462 -1.108 518 2HG2 ILE 72 2HG2 ILE 72 8.148 -5.736 -1.084 519 3HG2 ILE 72 3HG2 ILE 72 7.416 -5.157 0.434 520 1HD1 ILE 72 1HD1 ILE 72 11.795 -5.603 0.219 521 2HD1 ILE 72 2HD1 ILE 72 10.380 -6.213 -0.663 522 3HD1 ILE 72 3HD1 ILE 72 11.377 -4.881 -1.324 523 HA PRO 73 HA PRO 73 7.940 -0.947 -0.055 524 1HB PRO 73 1HB PRO 73 7.387 1.650 -0.643 525 2HB PRO 73 2HB PRO 73 8.483 1.138 0.666 526 1HG PRO 73 1HG PRO 73 9.156 2.053 -2.135 527 2HG PRO 73 2HG PRO 73 9.965 2.537 -0.617 528 1HD PRO 73 1HD PRO 73 10.962 0.606 -2.297 529 2HD PRO 73 2HD PRO 73 11.177 0.507 -0.531 530 H THR 74 H THR 74 6.020 -1.562 -0.872 531 HA THR 74 HA THR 74 5.263 -0.692 -3.618 532 HB THR 74 HB THR 74 5.237 -3.504 -2.477 533 HG1 THR 74 1HG THR 74 6.982 -2.248 -3.849 534 1HG2 THR 74 1HG2 THR 74 3.098 -3.271 -3.617 535 2HG2 THR 74 2HG2 THR 74 3.878 -2.494 -5.006 536 3HG2 THR 74 3HG2 THR 74 4.206 -4.194 -4.638 537 H LEU 75 H LEU 75 3.148 -0.251 -3.950 538 HA LEU 75 HA LEU 75 1.248 -0.252 -1.677 539 1HB LEU 75 1HB LEU 75 2.508 1.820 -1.700 540 2HB LEU 75 2HB LEU 75 2.035 2.142 -3.341 541 HG LEU 75 HG LEU 75 -0.227 1.496 -1.458 542 1HD1 LEU 75 1HD1 LEU 75 -0.269 3.780 -0.538 543 2HD1 LEU 75 2HD1 LEU 75 1.127 2.852 0.008 544 3HD1 LEU 75 3HD1 LEU 75 1.336 4.089 -1.249 545 1HD2 LEU 75 1HD2 LEU 75 0.216 3.552 -3.645 546 2HD2 LEU 75 2HD2 LEU 75 -0.751 2.061 -3.735 547 3HD2 LEU 75 3HD2 LEU 75 -1.276 3.383 -2.692 548 H ILE 76 H ILE 76 -0.135 -1.706 -2.590 549 HA ILE 76 HA ILE 76 -0.791 -1.479 -5.478 550 HB ILE 76 HB ILE 76 -1.644 -3.650 -3.541 551 1HG1 ILE 76 1HG1 ILE 76 0.626 -3.538 -5.581 552 2HG1 ILE 76 2HG1 ILE 76 0.743 -3.856 -3.853 553 1HG2 ILE 76 1HG2 ILE 76 -3.229 -3.314 -5.402 554 2HG2 ILE 76 2HG2 ILE 76 -1.892 -3.389 -6.576 555 3HG2 ILE 76 3HG2 ILE 76 -2.368 -4.809 -5.626 556 1HD1 ILE 76 1HD1 ILE 76 1.052 -5.947 -4.873 557 2HD1 ILE 76 2HD1 ILE 76 -0.624 -6.000 -4.304 558 3HD1 ILE 76 3HD1 ILE 76 -0.267 -5.711 -6.024 559 H LEU 77 H LEU 77 -2.875 -0.974 -6.059 560 HA LEU 77 HA LEU 77 -4.639 0.149 -3.946 561 1HB LEU 77 1HB LEU 77 -3.407 1.663 -5.597 562 2HB LEU 77 2HB LEU 77 -4.473 1.003 -6.832 563 HG LEU 77 HG LEU 77 -5.023 2.837 -4.501 564 1HD1 LEU 77 1HD1 LEU 77 -5.953 2.903 -7.405 565 2HD1 LEU 77 2HD1 LEU 77 -5.989 4.225 -6.239 566 3HD1 LEU 77 3HD1 LEU 77 -4.447 3.627 -6.820 567 1HD2 LEU 77 1HD2 LEU 77 -7.206 1.192 -5.838 568 2HD2 LEU 77 2HD2 LEU 77 -6.783 1.221 -4.119 569 3HD2 LEU 77 3HD2 LEU 77 -7.480 2.649 -4.877 570 H PHE 78 H PHE 78 -5.947 -1.410 -3.677 571 HA PHE 78 HA PHE 78 -7.025 -3.184 -5.845 572 1HB PHE 78 1HB PHE 78 -7.014 -3.472 -2.812 573 2HB PHE 78 2HB PHE 78 -7.877 -4.545 -3.887 574 HD1 PHE 78 1HD PHE 78 -6.671 -6.118 -5.372 575 HD2 PHE 78 2HD PHE 78 -4.638 -3.739 -2.406 576 HE1 PHE 78 1HE PHE 78 -4.791 -7.721 -5.390 577 HE2 PHE 78 2HE PHE 78 -2.766 -5.365 -2.406 578 HZ PHE 78 HZ PHE 78 -2.834 -7.361 -3.891 579 H LYS 79 H LYS 79 -9.353 -3.522 -5.886 580 HA LYS 79 HA LYS 79 -10.834 -2.525 -3.677 581 1HB LYS 79 1HB LYS 79 -12.422 -1.051 -4.757 582 2HB LYS 79 2HB LYS 79 -10.810 -0.391 -4.702 583 1HG LYS 79 1HG LYS 79 -10.478 -0.582 -7.035 584 2HG LYS 79 2HG LYS 79 -11.812 -1.738 -7.225 585 1HD LYS 79 1HD LYS 79 -12.455 0.535 -8.005 586 2HD LYS 79 2HD LYS 79 -13.462 -0.068 -6.684 587 1HE LYS 79 1HE LYS 79 -11.876 1.247 -5.099 588 2HE LYS 79 2HE LYS 79 -11.274 2.052 -6.551 589 1HZ LYS 79 1HZ LYS 79 -13.680 2.642 -6.950 590 2HZ LYS 79 2HZ LYS 79 -14.025 1.976 -5.474 591 3HZ LYS 79 3HZ LYS 79 -13.061 3.309 -5.568 592 H GLY 80 H GLY 80 -10.487 -5.020 -4.641 593 1HA GLY 80 1HA GLY 80 -12.804 -6.209 -4.029 594 2HA GLY 80 2HA GLY 80 -13.085 -5.932 -5.756 595 H GLY 81 H GLY 81 -10.338 -7.026 -3.748 596 1HA GLY 81 1HA GLY 81 -8.809 -8.722 -3.965 597 2HA GLY 81 2HA GLY 81 -9.902 -9.549 -5.083 598 H GLU 82 H GLU 82 -10.017 -7.145 -6.784 599 HA GLU 82 HA GLU 82 -7.715 -7.694 -8.478 600 1HB GLU 82 1HB GLU 82 -10.015 -7.693 -9.342 601 2HB GLU 82 2HB GLU 82 -10.187 -5.978 -8.937 602 1HG GLU 82 1HG GLU 82 -8.397 -5.402 -10.535 603 2HG GLU 82 2HG GLU 82 -8.101 -7.116 -10.856 604 HA PRO 83 HA PRO 83 -5.808 -3.682 -7.374 605 1HB PRO 83 1HB PRO 83 -3.549 -3.865 -8.831 606 2HB PRO 83 2HB PRO 83 -3.839 -4.883 -7.385 607 1HG PRO 83 1HG PRO 83 -4.206 -5.677 -10.277 608 2HG PRO 83 2HG PRO 83 -3.368 -6.569 -8.968 609 1HD PRO 83 1HD PRO 83 -5.991 -7.023 -9.692 610 2HD PRO 83 2HD PRO 83 -5.383 -7.279 -8.029 611 H VAL 84 H VAL 84 -6.453 -1.715 -8.300 612 HA VAL 84 HA VAL 84 -6.985 -1.543 -11.188 613 HB VAL 84 HB VAL 84 -7.184 0.931 -10.506 614 1HG1 VAL 84 1HG1 VAL 84 -9.087 -0.477 -11.203 615 2HG1 VAL 84 2HG1 VAL 84 -9.256 -1.085 -9.545 616 3HG1 VAL 84 3HG1 VAL 84 -9.573 0.629 -9.908 617 1HG2 VAL 84 1HG2 VAL 84 -6.299 0.780 -8.216 618 2HG2 VAL 84 2HG2 VAL 84 -7.912 1.498 -8.307 619 3HG2 VAL 84 3HG2 VAL 84 -7.730 -0.175 -7.749 620 H LYS 85 H LYS 85 -4.489 -0.604 -8.784 621 HA LYS 85 HA LYS 85 -2.544 -0.692 -10.913 622 1HB LYS 85 1HB LYS 85 -1.589 1.510 -10.718 623 2HB LYS 85 2HB LYS 85 -3.270 1.631 -11.200 624 1HG LYS 85 1HG LYS 85 -3.891 2.234 -8.851 625 2HG LYS 85 2HG LYS 85 -2.188 2.109 -8.382 626 1HD LYS 85 1HD LYS 85 -2.702 4.437 -8.725 627 2HD LYS 85 2HD LYS 85 -1.640 3.923 -10.047 628 1HE LYS 85 1HE LYS 85 -3.644 3.654 -11.494 629 2HE LYS 85 2HE LYS 85 -4.679 4.150 -10.137 630 1HZ LYS 85 1HZ LYS 85 -2.670 5.879 -11.473 631 2HZ LYS 85 2HZ LYS 85 -4.360 5.970 -11.568 632 3HZ LYS 85 3HZ LYS 85 -3.632 6.328 -10.205 633 H GLN 86 H GLN 86 -0.318 -0.176 -10.038 634 HA GLN 86 HA GLN 86 0.058 -0.738 -7.183 635 1HB GLN 86 1HB GLN 86 0.201 -2.926 -7.986 636 2HB GLN 86 2HB GLN 86 0.968 -2.456 -9.505 637 1HG GLN 86 1HG GLN 86 3.065 -2.066 -8.491 638 2HG GLN 86 2HG GLN 86 2.425 -2.172 -6.853 639 1HE2 GLN 86 1HE2 GLN 86 4.635 -3.728 -7.387 640 2HE2 GLN 86 2HE2 GLN 86 4.126 -5.398 -7.566 641 H LEU 87 H LEU 87 1.699 0.421 -6.341 642 HA LEU 87 HA LEU 87 3.468 2.042 -8.096 643 1HB LEU 87 1HB LEU 87 2.214 2.369 -5.355 644 2HB LEU 87 2HB LEU 87 3.699 3.209 -5.725 645 HG LEU 87 HG LEU 87 1.732 4.623 -5.880 646 1HD1 LEU 87 1HD1 LEU 87 3.789 4.980 -7.268 647 2HD1 LEU 87 2HD1 LEU 87 2.938 4.224 -8.635 648 3HD1 LEU 87 3HD1 LEU 87 2.320 5.724 -7.897 649 1HD2 LEU 87 1HD2 LEU 87 0.814 2.970 -8.265 650 2HD2 LEU 87 2HD2 LEU 87 0.057 2.953 -6.653 651 3HD2 LEU 87 3HD2 LEU 87 0.072 4.438 -7.630 652 H ILE 88 H ILE 88 5.698 1.798 -7.640 653 HA ILE 88 HA ILE 88 6.535 0.011 -5.475 654 HB ILE 88 HB ILE 88 8.015 -1.238 -6.987 655 1HG1 ILE 88 1HG1 ILE 88 6.559 0.204 -9.255 656 2HG1 ILE 88 2HG1 ILE 88 8.276 0.300 -8.854 657 1HG2 ILE 88 1HG2 ILE 88 6.391 -2.794 -7.762 658 2HG2 ILE 88 2HG2 ILE 88 5.707 -2.026 -6.326 659 3HG2 ILE 88 3HG2 ILE 88 5.155 -1.521 -7.934 660 1HD1 ILE 88 1HD1 ILE 88 6.784 -2.108 -9.960 661 2HD1 ILE 88 2HD1 ILE 88 8.032 -1.141 -10.754 662 3HD1 ILE 88 3HD1 ILE 88 8.462 -2.168 -9.364 663 H GLY 89 H GLY 89 8.622 0.387 -4.819 664 1HA GLY 89 1HA GLY 89 10.629 1.515 -4.542 665 2HA GLY 89 2HA GLY 89 10.403 2.331 -6.101 666 H TYR 90 H TYR 90 11.367 3.843 -4.040 667 HA TYR 90 HA TYR 90 9.164 5.071 -2.591 668 1HB TYR 90 1HB TYR 90 11.243 4.699 -1.450 669 2HB TYR 90 2HB TYR 90 12.102 5.699 -2.621 670 HD1 TYR 90 1HD TYR 90 8.736 6.723 -1.276 671 HD2 TYR 90 2HD TYR 90 13.025 7.180 -0.949 672 HE1 TYR 90 1HE TYR 90 8.417 8.528 0.346 673 HE2 TYR 90 2HE TYR 90 12.687 9.045 0.652 674 HH TYR 90 HH TYR 90 10.035 9.263 2.407 675 H GLN 91 H GLN 91 8.018 5.637 -4.580 676 HA GLN 91 HA GLN 91 8.846 8.222 -5.742 677 1HB GLN 91 1HB GLN 91 5.961 7.434 -5.816 678 2HB GLN 91 2HB GLN 91 6.967 8.232 -6.989 679 1HG GLN 91 1HG GLN 91 6.932 5.244 -6.443 680 2HG GLN 91 2HG GLN 91 6.250 6.081 -7.836 681 1HE2 GLN 91 1HE2 GLN 91 8.511 3.951 -7.585 682 2HE2 GLN 91 2HE2 GLN 91 9.821 4.747 -8.467 683 HA PRO 92 HA PRO 92 7.635 9.769 -1.689 684 1HB PRO 92 1HB PRO 92 8.049 12.450 -1.980 685 2HB PRO 92 2HB PRO 92 9.400 11.275 -1.958 686 1HG PRO 92 1HG PRO 92 7.987 12.443 -4.371 687 2HG PRO 92 2HG PRO 92 9.753 12.403 -4.059 688 1HD PRO 92 1HD PRO 92 8.538 10.515 -5.602 689 2HD PRO 92 2HD PRO 92 9.866 10.070 -4.485 690 H LYS 93 H LYS 93 6.120 11.461 -0.797 691 HA LYS 93 HA LYS 93 3.497 11.128 -1.139 692 1HB LYS 93 1HB LYS 93 4.816 12.751 0.423 693 2HB LYS 93 2HB LYS 93 4.687 13.935 -0.802 694 1HG LYS 93 1HG LYS 93 2.975 14.406 0.709 695 2HG LYS 93 2HG LYS 93 2.231 13.847 -0.789 696 1HD LYS 93 1HD LYS 93 1.906 11.581 0.255 697 2HD LYS 93 2HD LYS 93 2.570 12.212 1.776 698 1HE LYS 93 1HE LYS 93 0.154 13.294 0.266 699 2HE LYS 93 2HE LYS 93 0.090 12.226 1.675 700 1HZ LYS 93 1HZ LYS 93 0.667 15.059 1.595 701 2HZ LYS 93 2HZ LYS 93 -0.045 14.144 2.807 702 3HZ LYS 93 3HZ LYS 93 1.503 14.129 2.721 703 H GLU 94 H GLU 94 5.089 13.753 -2.676 704 HA GLU 94 HA GLU 94 3.014 14.784 -4.214 705 1HB GLU 94 1HB GLU 94 5.291 15.806 -3.904 706 2HB GLU 94 2HB GLU 94 5.949 14.642 -5.059 707 1HG GLU 94 1HG GLU 94 4.341 15.612 -6.793 708 2HG GLU 94 2HG GLU 94 3.929 16.858 -5.608 709 H GLN 95 H GLN 95 5.197 12.129 -5.260 710 HA GLN 95 HA GLN 95 4.034 11.979 -7.956 711 1HB GLN 95 1HB GLN 95 6.182 10.478 -6.397 712 2HB GLN 95 2HB GLN 95 5.466 9.769 -7.845 713 1HG GLN 95 1HG GLN 95 7.549 10.847 -8.367 714 2HG GLN 95 2HG GLN 95 6.200 11.593 -9.228 715 1HE2 GLN 95 1HE2 GLN 95 5.748 13.861 -8.841 716 2HE2 GLN 95 2HE2 GLN 95 6.725 14.841 -7.763 717 H LEU 96 H LEU 96 3.988 10.222 -4.863 718 HA LEU 96 HA LEU 96 2.428 7.982 -5.631 719 1HB LEU 96 1HB LEU 96 3.896 8.624 -3.547 720 2HB LEU 96 2HB LEU 96 2.380 9.201 -2.904 721 HG LEU 96 HG LEU 96 2.818 6.374 -3.961 722 1HD1 LEU 96 1HD1 LEU 96 2.806 7.379 -1.081 723 2HD1 LEU 96 2HD1 LEU 96 3.010 5.698 -1.632 724 3HD1 LEU 96 3HD1 LEU 96 4.252 6.901 -1.997 725 1HD2 LEU 96 1HD2 LEU 96 0.444 6.971 -3.978 726 2HD2 LEU 96 2HD2 LEU 96 0.738 5.896 -2.613 727 3HD2 LEU 96 3HD2 LEU 96 0.570 7.641 -2.338 728 H GLU 97 H GLU 97 1.452 10.960 -3.884 729 HA GLU 97 HA GLU 97 -1.328 10.370 -4.037 730 1HB GLU 97 1HB GLU 97 -0.042 11.744 -2.318 731 2HB GLU 97 2HB GLU 97 -0.023 13.055 -3.500 732 1HG GLU 97 1HG GLU 97 -2.325 13.406 -3.350 733 2HG GLU 97 2HG GLU 97 -2.650 11.747 -2.818 734 H ALA 98 H ALA 98 0.903 12.039 -6.251 735 HA ALA 98 HA ALA 98 -1.247 13.156 -7.883 736 1HB ALA 98 1HB ALA 98 0.981 14.086 -8.139 737 2HB ALA 98 2HB ALA 98 1.638 12.496 -8.610 738 3HB ALA 98 3HB ALA 98 0.479 13.334 -9.660 739 H GLN 99 H GLN 99 0.817 10.173 -8.165 740 HA GLN 99 HA GLN 99 -0.550 9.164 -10.450 741 1HB GLN 99 1HB GLN 99 1.624 8.348 -9.600 742 2HB GLN 99 2HB GLN 99 0.848 7.665 -8.185 743 1HG GLN 99 1HG GLN 99 1.392 5.979 -9.970 744 2HG GLN 99 2HG GLN 99 -0.294 6.000 -9.459 745 1HE2 GLN 99 1HE2 GLN 99 1.655 7.863 -11.936 746 2HE2 GLN 99 2HE2 GLN 99 0.512 7.509 -13.225 747 H LEU 100 H LEU 100 -1.182 8.730 -7.003 748 HA LEU 100 HA LEU 100 -3.496 7.013 -7.446 749 1HB LEU 100 1HB LEU 100 -1.684 7.540 -5.309 750 2HB LEU 100 2HB LEU 100 -3.234 8.071 -4.757 751 HG LEU 100 HG LEU 100 -4.080 5.734 -5.614 752 1HD1 LEU 100 1HD1 LEU 100 -1.065 5.216 -5.386 753 2HD1 LEU 100 2HD1 LEU 100 -2.314 4.015 -5.766 754 3HD1 LEU 100 3HD1 LEU 100 -1.941 5.324 -6.912 755 1HD2 LEU 100 1HD2 LEU 100 -2.116 5.823 -3.286 756 2HD2 LEU 100 2HD2 LEU 100 -3.844 6.277 -3.212 757 3HD2 LEU 100 3HD2 LEU 100 -3.375 4.606 -3.562 758 H ALA 101 H ALA 101 -3.221 10.324 -7.908 759 HA ALA 101 HA ALA 101 -5.327 11.459 -6.461 760 1HB ALA 101 1HB ALA 101 -4.407 12.162 -9.278 761 2HB ALA 101 2HB ALA 101 -5.355 13.195 -8.190 762 3HB ALA 101 3HB ALA 101 -3.692 12.770 -7.765 763 H ASP 102 H ASP 102 -5.504 9.329 -9.283 764 HA ASP 102 HA ASP 102 -8.219 10.028 -10.024 765 1HB ASP 102 1HB ASP 102 -8.028 8.104 -11.531 766 2HB ASP 102 2HB ASP 102 -6.649 9.185 -11.688 767 H VAL 103 H VAL 103 -6.996 8.328 -7.334 768 HA VAL 103 HA VAL 103 -9.802 7.415 -6.925 769 HB VAL 103 HB VAL 103 -7.621 5.727 -6.935 770 1HG1 VAL 103 1HG1 VAL 103 -8.197 6.298 -3.994 771 2HG1 VAL 103 2HG1 VAL 103 -7.225 4.978 -4.627 772 3HG1 VAL 103 3HG1 VAL 103 -6.678 6.640 -4.859 773 1HG2 VAL 103 1HG2 VAL 103 -9.145 4.082 -6.052 774 2HG2 VAL 103 2HG2 VAL 103 -10.237 5.375 -5.470 775 3HG2 VAL 103 3HG2 VAL 103 -9.952 5.145 -7.206 776 H LEU 104 H LEU 104 -7.330 9.604 -5.839 777 HA LEU 104 HA LEU 104 -8.728 10.115 -3.317 778 1HB LEU 104 1HB LEU 104 -6.190 11.056 -4.660 779 2HB LEU 104 2HB LEU 104 -6.900 12.047 -3.477 780 HG LEU 104 HG LEU 104 -5.477 10.967 -2.130 781 1HD1 LEU 104 1HD1 LEU 104 -7.644 10.196 -1.209 782 2HD1 LEU 104 2HD1 LEU 104 -7.516 8.707 -2.190 783 3HD1 LEU 104 3HD1 LEU 104 -6.331 9.033 -0.922 784 1HD2 LEU 104 1HD2 LEU 104 -4.397 9.753 -3.926 785 2HD2 LEU 104 2HD2 LEU 104 -4.513 8.756 -2.467 786 3HD2 LEU 104 3HD2 LEU 104 -5.622 8.464 -3.825 787 H GLN 105 H GLN 105 -9.041 11.133 -6.564 788 HA GLN 105 HA GLN 105 -10.085 13.698 -6.352 789 1HB GLN 105 2HB GLN 105 -9.641 12.427 -8.419 790 2HB GLN 105 3HB GLN 105 -11.076 11.466 -8.121 791 1HG GLN 105 2HG GLN 105 -11.333 14.486 -8.220 792 2HG GLN 105 3HG GLN 105 -11.011 13.627 -9.719 793 1HE2 GLN 105 1HE2 GLN 105 -13.354 13.644 -6.951 794 2HE2 GLN 105 2HE2 GLN 105 -14.719 13.154 -7.979 Start of MODEL 8 1 1H ALA 1 H ALA 1 -10.372 1.018 11.371 2 2H ALA 1 2HN ALA 1 -10.826 2.087 10.224 3 3H ALA 1 3HN ALA 1 -11.640 0.647 10.359 4 HA ALA 1 HA ALA 1 -9.700 -0.564 9.707 5 1HB ALA 1 1HB ALA 1 -9.575 0.196 7.354 6 2HB ALA 1 2HB ALA 1 -11.248 0.253 7.921 7 3HB ALA 1 3HB ALA 1 -10.302 1.752 7.798 8 H THR 2 H THR 2 -7.639 0.154 8.145 9 HA THR 2 HA THR 2 -5.969 1.343 7.564 10 HB THR 2 HB THR 2 -7.047 3.597 9.302 11 HG1 THR 2 1HG THR 2 -8.171 4.090 7.307 12 1HG2 THR 2 1HG2 THR 2 -4.994 4.377 8.422 13 2HG2 THR 2 2HG2 THR 2 -5.251 3.565 6.868 14 3HG2 THR 2 3HG2 THR 2 -6.218 4.979 7.299 15 H MET 3 H MET 3 -3.998 2.577 8.192 16 HA MET 3 HA MET 3 -2.092 2.890 9.166 17 1HB MET 3 1HB MET 3 -3.685 3.824 10.941 18 2HB MET 3 2HB MET 3 -3.361 2.353 11.865 19 1HG MET 3 1HG MET 3 -0.936 2.952 11.898 20 2HG MET 3 2HG MET 3 -1.306 4.416 10.979 21 1HE MET 3 1HE MET 3 -0.388 5.850 14.494 22 2HE MET 3 2HE MET 3 0.376 4.571 13.522 23 3HE MET 3 3HE MET 3 -0.195 6.064 12.742 24 H THR 4 H THR 4 -3.459 -0.058 9.775 25 HA THR 4 HA THR 4 -0.855 -1.406 9.514 26 HB THR 4 HB THR 4 -2.533 -1.686 12.006 27 HG1 THR 4 1HG THR 4 -0.619 -0.108 11.422 28 1HG2 THR 4 1HG2 THR 4 -1.771 -3.963 11.501 29 2HG2 THR 4 2HG2 THR 4 -0.123 -3.369 11.174 30 3HG2 THR 4 3HG2 THR 4 -0.799 -3.301 12.815 31 H LEU 5 H LEU 5 -1.051 -3.663 9.001 32 HA LEU 5 HA LEU 5 -3.639 -4.928 8.534 33 1HB LEU 5 1HB LEU 5 -2.490 -3.482 6.444 34 2HB LEU 5 2HB LEU 5 -1.726 -5.015 6.261 35 HG LEU 5 HG LEU 5 -3.932 -6.135 6.095 36 1HD1 LEU 5 1HD1 LEU 5 -5.251 -3.428 5.759 37 2HD1 LEU 5 2HD1 LEU 5 -5.979 -5.018 5.957 38 3HD1 LEU 5 3HD1 LEU 5 -5.225 -4.208 7.339 39 1HD2 LEU 5 1HD2 LEU 5 -4.504 -4.969 3.832 40 2HD2 LEU 5 2HD2 LEU 5 -3.177 -3.867 4.204 41 3HD2 LEU 5 3HD2 LEU 5 -2.851 -5.591 4.036 42 H THR 6 H THR 6 -3.082 -7.314 7.738 43 HA THR 6 HA THR 6 -0.621 -8.320 8.718 44 HB THR 6 HB THR 6 -3.325 -8.946 10.013 45 HG1 THR 6 1HG THR 6 -1.256 -7.266 10.650 46 1HG2 THR 6 1HG2 THR 6 -1.931 -10.986 9.961 47 2HG2 THR 6 2HG2 THR 6 -0.592 -10.090 10.720 48 3HG2 THR 6 3HG2 THR 6 -2.100 -10.357 11.605 49 H ASP 7 H ASP 7 -0.602 -10.447 8.004 50 HA ASP 7 HA ASP 7 -1.011 -10.778 5.346 51 1HB ASP 7 1HB ASP 7 0.498 -12.191 6.710 52 2HB ASP 7 2HB ASP 7 -0.877 -12.974 7.478 53 H ALA 8 H ALA 8 -3.158 -12.401 7.665 54 HA ALA 8 HA ALA 8 -5.046 -13.333 5.718 55 1HB ALA 8 1HB ALA 8 -6.567 -13.525 7.692 56 2HB ALA 8 2HB ALA 8 -4.941 -14.158 8.061 57 3HB ALA 8 3HB ALA 8 -5.438 -12.556 8.654 58 H ASN 9 H ASN 9 -4.801 -10.321 7.499 59 HA ASN 9 HA ASN 9 -7.478 -9.415 6.873 60 1HB ASN 9 1HB ASN 9 -6.217 -8.844 8.979 61 2HB ASN 9 2HB ASN 9 -5.234 -7.760 7.979 62 1HD2 ASN 9 1HD2 ASN 9 -5.993 -5.743 8.920 63 2HD2 ASN 9 2HD2 ASN 9 -7.682 -5.293 8.757 64 H PHE 10 H PHE 10 -4.356 -9.280 5.328 65 HA PHE 10 HA PHE 10 -4.758 -7.075 3.610 66 1HB PHE 10 1HB PHE 10 -2.612 -8.257 3.832 67 2HB PHE 10 2HB PHE 10 -3.315 -9.689 3.112 68 HD1 PHE 10 1HD PHE 10 -1.444 -9.745 1.563 69 HD2 PHE 10 2HD PHE 10 -4.233 -6.452 1.522 70 HE1 PHE 10 1HE PHE 10 -0.693 -9.136 -0.686 71 HE2 PHE 10 2HE PHE 10 -3.510 -5.874 -0.746 72 HZ PHE 10 HZ PHE 10 -1.757 -7.220 -1.888 73 H GLN 11 H GLN 11 -5.486 -10.557 2.870 74 HA GLN 11 HA GLN 11 -6.896 -9.866 0.493 75 1HB GLN 11 1HB GLN 11 -5.891 -12.116 1.176 76 2HB GLN 11 2HB GLN 11 -7.398 -12.408 2.067 77 1HG GLN 11 1HG GLN 11 -8.656 -11.933 -0.083 78 2HG GLN 11 2HG GLN 11 -7.113 -11.732 -0.914 79 1HE2 GLN 11 1HE2 GLN 11 -5.537 -13.946 -0.133 80 2HE2 GLN 11 2HE2 GLN 11 -6.436 -15.372 -0.615 81 H GLN 12 H GLN 12 -8.018 -10.354 3.869 82 HA GLN 12 HA GLN 12 -10.800 -10.106 3.287 83 1HB GLN 12 1HB GLN 12 -9.272 -9.342 5.809 84 2HB GLN 12 2HB GLN 12 -11.020 -9.467 5.703 85 1HG GLN 12 1HG GLN 12 -10.923 -11.853 5.290 86 2HG GLN 12 2HG GLN 12 -9.166 -11.825 5.168 87 1HE2 GLN 12 1HE2 GLN 12 -11.885 -11.221 7.481 88 2HE2 GLN 12 2HE2 GLN 12 -10.890 -11.556 8.895 89 H ALA 13 H ALA 13 -8.311 -7.508 3.722 90 HA ALA 13 HA ALA 13 -10.259 -5.414 3.604 91 1HB ALA 13 1HB ALA 13 -7.302 -5.377 2.857 92 2HB ALA 13 2HB ALA 13 -8.351 -3.963 3.092 93 3HB ALA 13 3HB ALA 13 -7.989 -5.030 4.458 94 H ILE 14 H ILE 14 -8.029 -6.797 1.086 95 HA ILE 14 HA ILE 14 -9.104 -5.064 -0.875 96 HB ILE 14 HB ILE 14 -7.880 -6.350 -2.550 97 1HG1 ILE 14 1HG1 ILE 14 -6.647 -8.118 -0.500 98 2HG1 ILE 14 2HG1 ILE 14 -8.166 -8.632 -1.261 99 1HG2 ILE 14 1HG2 ILE 14 -6.267 -5.771 -0.031 100 2HG2 ILE 14 2HG2 ILE 14 -5.637 -5.870 -1.686 101 3HG2 ILE 14 3HG2 ILE 14 -6.767 -4.588 -1.258 102 1HD1 ILE 14 1HD1 ILE 14 -6.268 -9.572 -2.461 103 2HD1 ILE 14 2HD1 ILE 14 -7.106 -8.401 -3.498 104 3HD1 ILE 14 3HD1 ILE 14 -5.570 -7.961 -2.712 105 H GLN 15 H GLN 15 -10.347 -8.139 0.090 106 HA GLN 15 HA GLN 15 -11.571 -8.937 -2.277 107 1HB GLN 15 1HB GLN 15 -13.059 -10.349 -0.918 108 2HB GLN 15 2HB GLN 15 -11.369 -10.442 -0.454 109 1HG GLN 15 1HG GLN 15 -12.757 -10.540 1.502 110 2HG GLN 15 2HG GLN 15 -11.773 -9.085 1.500 111 1HE2 GLN 15 1HE2 GLN 15 -12.911 -7.537 2.596 112 2HE2 GLN 15 2HE2 GLN 15 -14.498 -6.976 2.037 113 H GLY 16 H GLY 16 -12.806 -6.383 -0.138 114 1HA GLY 16 1HA GLY 16 -14.756 -5.342 -1.893 115 2HA GLY 16 2HA GLY 16 -15.538 -6.599 -0.972 116 H ASP 17 H ASP 17 -14.589 -3.543 -1.064 117 HA ASP 17 HA ASP 17 -15.307 -2.764 1.680 118 1HB ASP 17 1HB ASP 17 -13.023 -3.621 1.993 119 2HB ASP 17 2HB ASP 17 -12.423 -2.607 0.694 120 H GLY 18 H GLY 18 -13.129 -1.506 -0.899 121 1HA GLY 18 1HA GLY 18 -14.561 0.572 -2.068 122 2HA GLY 18 2HA GLY 18 -13.903 1.133 -0.504 123 HA PRO 19 HA PRO 19 -10.186 1.270 -3.385 124 1HB PRO 19 1HB PRO 19 -9.279 3.728 -2.543 125 2HB PRO 19 2HB PRO 19 -10.424 3.524 -3.891 126 1HG PRO 19 1HG PRO 19 -11.045 4.220 -1.019 127 2HG PRO 19 2HG PRO 19 -11.704 4.959 -2.505 128 1HD PRO 19 1HD PRO 19 -13.033 3.051 -1.058 129 2HD PRO 19 2HD PRO 19 -13.188 3.161 -2.836 130 H VAL 20 H VAL 20 -8.866 -0.162 -2.411 131 HA VAL 20 HA VAL 20 -8.071 0.228 0.427 132 HB VAL 20 HB VAL 20 -8.302 -2.257 -1.293 133 1HG1 VAL 20 1HG1 VAL 20 -7.583 -3.532 0.755 134 2HG1 VAL 20 2HG1 VAL 20 -6.287 -2.541 0.083 135 3HG1 VAL 20 3HG1 VAL 20 -7.161 -1.996 1.532 136 1HG2 VAL 20 1HG2 VAL 20 -9.942 -3.038 0.268 137 2HG2 VAL 20 2HG2 VAL 20 -9.657 -1.675 1.358 138 3HG2 VAL 20 3HG2 VAL 20 -10.422 -1.410 -0.213 139 H LEU 21 H LEU 21 -5.845 0.286 0.841 140 HA LEU 21 HA LEU 21 -4.028 0.356 -1.539 141 1HB LEU 21 1HB LEU 21 -5.068 2.541 -1.365 142 2HB LEU 21 2HB LEU 21 -4.720 2.638 0.349 143 HG LEU 21 HG LEU 21 -2.292 2.747 -0.101 144 1HD1 LEU 21 1HD1 LEU 21 -1.984 1.484 -2.083 145 2HD1 LEU 21 2HD1 LEU 21 -3.259 2.362 -2.948 146 3HD1 LEU 21 3HD1 LEU 21 -1.735 3.157 -2.584 147 1HD2 LEU 21 1HD2 LEU 21 -3.933 4.737 -1.731 148 2HD2 LEU 21 2HD2 LEU 21 -3.608 4.829 0.011 149 3HD2 LEU 21 3HD2 LEU 21 -2.275 4.979 -1.138 150 H VAL 22 H VAL 22 -2.239 -0.894 -1.022 151 HA VAL 22 HA VAL 22 -1.790 -1.248 1.918 152 HB VAL 22 HB VAL 22 -1.497 -3.233 -0.362 153 1HG1 VAL 22 1HG1 VAL 22 -1.098 -3.572 2.647 154 2HG1 VAL 22 2HG1 VAL 22 -1.134 -4.893 1.457 155 3HG1 VAL 22 3HG1 VAL 22 0.165 -3.701 1.402 156 1HG2 VAL 22 1HG2 VAL 22 -3.838 -2.839 0.111 157 2HG2 VAL 22 2HG2 VAL 22 -3.408 -4.328 0.947 158 3HG2 VAL 22 3HG2 VAL 22 -3.552 -2.830 1.864 159 H ASP 23 H ASP 23 0.020 -0.556 2.744 160 HA ASP 23 HA ASP 23 2.389 0.019 1.034 161 1HB ASP 23 1HB ASP 23 1.949 1.574 2.868 162 2HB ASP 23 2HB ASP 23 1.900 0.305 4.017 163 H PHE 24 H PHE 24 3.397 -1.788 0.369 164 HA PHE 24 HA PHE 24 4.024 -3.970 2.278 165 1HB PHE 24 1HB PHE 24 4.813 -3.540 -0.608 166 2HB PHE 24 2HB PHE 24 5.262 -4.909 0.359 167 HD1 PHE 24 1HD PHE 24 3.398 -6.314 1.404 168 HD2 PHE 24 2HD PHE 24 2.751 -3.643 -1.907 169 HE1 PHE 24 1HE PHE 24 1.666 -7.844 0.522 170 HE2 PHE 24 2HE PHE 24 0.998 -5.155 -2.779 171 HZ PHE 24 HZ PHE 24 0.579 -7.349 -1.598 172 H TRP 25 H TRP 25 5.434 -3.285 3.681 173 HA TRP 25 HA TRP 25 8.014 -2.219 2.677 174 1HB TRP 25 1HB TRP 25 8.331 -0.864 4.597 175 2HB TRP 25 2HB TRP 25 6.731 -0.501 4.024 176 HD1 TRP 25 HD TRP 25 4.694 -1.524 5.499 177 HE1 TRP 25 1HE TRP 25 4.504 -1.972 8.014 178 HE3 TRP 25 3HE TRP 25 9.668 -1.475 6.672 179 HZ2 TRP 25 2HZ TRP 25 6.331 -2.259 10.287 180 HZ3 TRP 25 3HZ TRP 25 10.417 -1.778 9.010 181 HH2 TRP 25 HH TRP 25 8.757 -2.166 10.826 182 H ALA 26 H ALA 26 9.722 -2.974 4.739 183 HA ALA 26 HA ALA 26 8.908 -5.532 5.814 184 1HB ALA 26 1HB ALA 26 9.743 -6.113 3.512 185 2HB ALA 26 2HB ALA 26 11.316 -5.419 3.960 186 3HB ALA 26 3HB ALA 26 10.669 -6.830 4.833 187 H ALA 27 H ALA 27 10.308 -6.211 7.491 188 HA ALA 27 HA ALA 27 11.450 -4.076 8.960 189 1HB ALA 27 1HB ALA 27 12.115 -5.825 10.561 190 2HB ALA 27 2HB ALA 27 10.460 -6.088 9.984 191 3HB ALA 27 3HB ALA 27 11.791 -7.080 9.344 192 H TRP 28 H TRP 28 13.030 -6.175 6.609 193 HA TRP 28 HA TRP 28 15.689 -5.550 7.685 194 1HB TRP 28 1HB TRP 28 16.419 -7.370 6.658 195 2HB TRP 28 2HB TRP 28 14.732 -7.818 6.613 196 HD1 TRP 28 HD TRP 28 17.663 -6.767 4.507 197 HE1 TRP 28 1HE TRP 28 17.172 -6.880 2.006 198 HE3 TRP 28 3HE TRP 28 12.691 -8.005 4.706 199 HZ2 TRP 28 2HZ TRP 28 14.843 -7.087 0.310 200 HZ3 TRP 28 3HZ TRP 28 11.337 -8.067 2.607 201 HH2 TRP 28 HH TRP 28 12.413 -7.511 0.437 202 H CYS 29 H CYS 29 13.610 -3.982 5.490 203 HA CYS 29 HA CYS 29 15.348 -3.669 3.255 204 1HB CYS 29 1HB CYS 29 13.613 -2.393 2.319 205 2HB CYS 29 2HB CYS 29 12.800 -3.542 3.380 206 H GLY 30 H GLY 30 15.693 -1.291 2.360 207 1HA GLY 30 1HA GLY 30 16.782 0.553 4.436 208 2HA GLY 30 2HA GLY 30 17.127 0.624 2.715 209 HA PRO 31 HA PRO 31 14.368 3.930 2.519 210 1HB PRO 31 1HB PRO 31 13.325 3.888 -0.036 211 2HB PRO 31 2HB PRO 31 15.035 4.263 0.346 212 1HG PRO 31 1HG PRO 31 13.852 1.602 -0.509 213 2HG PRO 31 2HG PRO 31 15.300 2.431 -1.167 214 1HD PRO 31 1HD PRO 31 15.540 0.474 0.687 215 2HD PRO 31 2HD PRO 31 16.574 1.933 0.778 216 H CYS 32 H CYS 32 12.813 0.839 1.916 217 HA CYS 32 HA CYS 32 10.136 1.807 1.912 218 1HB CYS 32 1HB CYS 32 9.457 -0.355 2.025 219 2HB CYS 32 2HB CYS 32 11.083 -0.607 1.415 220 H ARG 33 H ARG 33 12.445 1.366 4.543 221 HA ARG 33 HA ARG 33 10.544 1.621 6.691 222 1HB ARG 33 1HB ARG 33 12.896 0.569 6.667 223 2HB ARG 33 2HB ARG 33 13.512 2.224 6.742 224 1HG ARG 33 1HG ARG 33 12.308 2.550 8.900 225 2HG ARG 33 2HG ARG 33 11.665 0.898 8.782 226 1HD ARG 33 1HD ARG 33 13.967 -0.005 8.800 227 2HD ARG 33 2HD ARG 33 14.634 1.624 8.882 228 HE ARG 33 HE ARG 33 13.524 0.028 11.013 229 1HH1 ARG 33 2HH2 ARG 33 14.077 3.377 10.045 230 2HH1 ARG 33 1HH2 ARG 33 14.143 4.015 11.653 231 1HH2 ARG 33 2HH1 ARG 33 13.580 0.845 13.174 232 2HH2 ARG 33 1HH1 ARG 33 13.837 2.524 13.471 233 H MET 34 H MET 34 11.777 3.926 4.427 234 HA MET 34 HA MET 34 11.170 6.199 6.203 235 1HB MET 34 1HB MET 34 12.481 6.061 3.443 236 2HB MET 34 2HB MET 34 12.132 7.547 4.327 237 1HG MET 34 1HG MET 34 13.580 6.699 6.201 238 2HG MET 34 2HG MET 34 14.067 5.358 5.159 239 1HE MET 34 1HE MET 34 16.087 7.183 2.316 240 2HE MET 34 2HE MET 34 15.707 5.615 3.054 241 3HE MET 34 3HE MET 34 14.419 6.579 2.287 242 H MET 35 H MET 35 10.192 4.571 3.195 243 HA MET 35 HA MET 35 8.157 6.450 2.510 244 1HB MET 35 1HB MET 35 9.192 4.776 0.955 245 2HB MET 35 2HB MET 35 8.229 3.508 1.730 246 1HG MET 35 1HG MET 35 6.197 4.703 1.073 247 2HG MET 35 2HG MET 35 7.146 6.047 0.425 248 1HE MET 35 1HE MET 35 5.957 6.058 -1.865 249 2HE MET 35 2HE MET 35 5.752 4.631 -2.911 250 3HE MET 35 3HE MET 35 4.856 4.736 -1.386 251 H ALA 36 H ALA 36 8.112 3.360 4.406 252 HA ALA 36 HA ALA 36 5.365 3.191 4.820 253 1HB ALA 36 1HB ALA 36 5.947 1.946 6.909 254 2HB ALA 36 2HB ALA 36 6.882 1.442 5.500 255 3HB ALA 36 3HB ALA 36 7.637 2.466 6.735 256 HA PRO 37 HA PRO 37 5.244 6.303 8.405 257 1HB PRO 37 1HB PRO 37 7.323 8.097 8.774 258 2HB PRO 37 2HB PRO 37 7.098 6.572 9.685 259 1HG PRO 37 1HG PRO 37 8.882 7.104 7.329 260 2HG PRO 37 2HG PRO 37 9.246 6.172 8.802 261 1HD PRO 37 1HD PRO 37 8.547 4.926 6.488 262 2HD PRO 37 2HD PRO 37 8.025 4.309 8.072 263 H VAL 38 H VAL 38 7.031 7.280 5.356 264 HA VAL 38 HA VAL 38 5.633 9.803 5.204 265 HB VAL 38 HB VAL 38 7.556 8.338 3.679 266 1HG1 VAL 38 1HG1 VAL 38 7.002 8.837 1.363 267 2HG1 VAL 38 2HG1 VAL 38 5.897 7.659 2.051 268 3HG1 VAL 38 3HG1 VAL 38 5.366 9.328 1.836 269 1HG2 VAL 38 1HG2 VAL 38 6.599 11.193 3.486 270 2HG2 VAL 38 2HG2 VAL 38 7.901 10.548 4.496 271 3HG2 VAL 38 3HG2 VAL 38 8.067 10.546 2.737 272 H LEU 39 H LEU 39 4.687 6.518 4.341 273 HA LEU 39 HA LEU 39 2.263 7.226 3.004 274 1HB LEU 39 1HB LEU 39 3.560 4.678 4.043 275 2HB LEU 39 2HB LEU 39 1.991 4.662 3.314 276 HG LEU 39 HG LEU 39 4.561 5.581 1.984 277 1HD1 LEU 39 1HD1 LEU 39 4.395 3.159 2.269 278 2HD1 LEU 39 2HD1 LEU 39 2.797 3.156 1.488 279 3HD1 LEU 39 3HD1 LEU 39 4.247 3.572 0.563 280 1HD2 LEU 39 1HD2 LEU 39 2.946 6.940 0.978 281 2HD2 LEU 39 2HD2 LEU 39 3.292 5.611 -0.112 282 3HD2 LEU 39 3HD2 LEU 39 1.787 5.580 0.836 283 H GLU 40 H GLU 40 3.232 6.604 6.362 284 HA GLU 40 HA GLU 40 0.544 6.247 7.315 285 1HB GLU 40 1HB GLU 40 2.648 5.570 8.495 286 2HB GLU 40 2HB GLU 40 2.942 7.268 8.883 287 1HG GLU 40 1HG GLU 40 0.993 7.386 10.272 288 2HG GLU 40 2HG GLU 40 0.306 5.916 9.563 289 H GLU 41 H GLU 41 2.609 9.153 6.774 290 HA GLU 41 HA GLU 41 0.503 10.879 7.788 291 1HB GLU 41 1HB GLU 41 1.901 12.611 7.584 292 2HB GLU 41 2HB GLU 41 3.064 11.296 7.608 293 1HG GLU 41 1HG GLU 41 3.854 12.752 6.003 294 2HG GLU 41 2HG GLU 41 3.145 11.414 5.128 295 H PHE 42 H PHE 42 1.344 9.705 4.526 296 HA PHE 42 HA PHE 42 -0.730 11.009 3.039 297 1HB PHE 42 1HB PHE 42 1.099 9.566 2.100 298 2HB PHE 42 2HB PHE 42 0.314 8.160 2.783 299 HD1 PHE 42 1HD PHE 42 0.675 10.045 -0.190 300 HD2 PHE 42 2HD PHE 42 -2.167 7.654 2.019 301 HE1 PHE 42 1HE PHE 42 -0.639 9.676 -2.237 302 HE2 PHE 42 2HE PHE 42 -3.520 7.382 -0.022 303 HZ PHE 42 HZ PHE 42 -2.794 8.450 -2.149 304 H ALA 43 H ALA 43 -0.777 7.979 5.002 305 HA ALA 43 HA ALA 43 -3.497 7.457 4.650 306 1HB ALA 43 1HB ALA 43 -3.286 6.000 6.657 307 2HB ALA 43 2HB ALA 43 -1.953 5.751 5.508 308 3HB ALA 43 3HB ALA 43 -1.703 6.690 6.993 309 H GLU 44 H GLU 44 -1.931 9.221 7.355 310 HA GLU 44 HA GLU 44 -4.284 9.842 8.761 311 1HB GLU 44 1HB GLU 44 -1.976 10.179 9.586 312 2HB GLU 44 2HB GLU 44 -1.770 11.541 8.471 313 1HG GLU 44 1HG GLU 44 -3.559 12.785 9.612 314 2HG GLU 44 2HG GLU 44 -3.920 11.388 10.633 315 H ALA 45 H ALA 45 -2.707 11.675 6.104 316 HA ALA 45 HA ALA 45 -4.579 13.798 6.004 317 1HB ALA 45 1HB ALA 45 -3.615 14.244 3.783 318 2HB ALA 45 2HB ALA 45 -2.330 13.804 4.929 319 3HB ALA 45 3HB ALA 45 -2.908 12.616 3.741 320 H HIS 46 H HIS 46 -5.111 10.528 5.045 321 HA HIS 46 HA HIS 46 -7.550 11.244 3.497 322 1HB HIS 46 1HB HIS 46 -5.413 9.427 2.589 323 2HB HIS 46 2HB HIS 46 -6.998 9.542 1.848 324 HD1 HIS 46 1HD HIS 46 -6.564 12.973 2.314 325 HD2 HIS 46 2HD HIS 46 -4.555 10.082 0.013 326 HE1 HIS 46 1HE HIS 46 -5.867 14.140 0.086 327 HE2 HIS 46 2HE HIS 46 -4.701 12.348 -1.339 328 H ALA 47 H ALA 47 -7.103 10.225 6.259 329 HA ALA 47 HA ALA 47 -7.165 7.498 6.475 330 1HB ALA 47 1HB ALA 47 -7.932 7.904 8.797 331 2HB ALA 47 2HB ALA 47 -6.692 9.072 8.305 332 3HB ALA 47 3HB ALA 47 -8.400 9.559 8.355 333 H ASP 48 H ASP 48 -9.908 9.508 5.666 334 HA ASP 48 HA ASP 48 -11.918 7.404 6.062 335 1HB ASP 48 1HB ASP 48 -13.464 9.255 5.588 336 2HB ASP 48 2HB ASP 48 -12.352 9.728 6.868 337 H LYS 49 H LYS 49 -10.542 9.523 3.590 338 HA LYS 49 HA LYS 49 -12.119 8.708 1.434 339 1HB LYS 49 1HB LYS 49 -10.891 10.794 1.585 340 2HB LYS 49 2HB LYS 49 -9.338 9.953 1.531 341 1HG LYS 49 1HG LYS 49 -9.633 9.341 -0.762 342 2HG LYS 49 2HG LYS 49 -11.341 9.794 -0.752 343 1HD LYS 49 1HD LYS 49 -9.499 12.010 0.017 344 2HD LYS 49 2HD LYS 49 -9.209 11.401 -1.598 345 1HE LYS 49 1HE LYS 49 -12.009 12.154 -0.627 346 2HE LYS 49 2HE LYS 49 -10.893 13.321 -1.366 347 1HZ LYS 49 1HZ LYS 49 -10.749 11.851 -3.291 348 2HZ LYS 49 2HZ LYS 49 -11.902 10.877 -2.739 349 3HZ LYS 49 3HZ LYS 49 -12.243 12.414 -3.155 350 H VAL 50 H VAL 50 -9.421 6.918 2.775 351 HA VAL 50 HA VAL 50 -9.881 4.901 0.709 352 HB VAL 50 HB VAL 50 -8.218 6.133 -0.385 353 1HG1 VAL 50 1HG1 VAL 50 -7.214 7.426 1.422 354 2HG1 VAL 50 2HG1 VAL 50 -6.480 5.976 2.112 355 3HG1 VAL 50 3HG1 VAL 50 -5.937 6.591 0.538 356 1HG2 VAL 50 1HG2 VAL 50 -6.799 3.727 0.752 357 2HG2 VAL 50 2HG2 VAL 50 -7.928 3.759 -0.620 358 3HG2 VAL 50 3HG2 VAL 50 -6.396 4.610 -0.732 359 H THR 51 H THR 51 -9.505 2.889 1.347 360 HA THR 51 HA THR 51 -8.993 2.313 4.136 361 HB THR 51 HB THR 51 -9.616 0.529 1.840 362 HG1 THR 51 1HG THR 51 -11.695 0.539 2.595 363 1HG2 THR 51 1HG2 THR 51 -10.305 -1.113 3.602 364 2HG2 THR 51 2HG2 THR 51 -8.568 -0.822 3.600 365 3HG2 THR 51 3HG2 THR 51 -9.594 -0.043 4.830 366 H VAL 52 H VAL 52 -6.895 3.558 3.610 367 HA VAL 52 HA VAL 52 -4.828 1.977 2.311 368 HB VAL 52 HB VAL 52 -4.519 4.220 2.125 369 1HG1 VAL 52 1HG1 VAL 52 -5.869 5.005 4.152 370 2HG1 VAL 52 2HG1 VAL 52 -4.408 4.711 5.106 371 3HG1 VAL 52 3HG1 VAL 52 -4.416 5.896 3.772 372 1HG2 VAL 52 1HG2 VAL 52 -2.449 3.464 4.182 373 2HG2 VAL 52 2HG2 VAL 52 -2.416 3.042 2.455 374 3HG2 VAL 52 3HG2 VAL 52 -2.327 4.735 2.956 375 H ALA 53 H ALA 53 -3.035 0.962 3.372 376 HA ALA 53 HA ALA 53 -3.244 0.616 6.229 377 1HB ALA 53 1HB ALA 53 -3.688 -1.787 6.155 378 2HB ALA 53 2HB ALA 53 -4.992 -0.981 5.296 379 3HB ALA 53 3HB ALA 53 -3.708 -1.761 4.363 380 H LYS 54 H LYS 54 -1.478 -1.126 6.884 381 HA LYS 54 HA LYS 54 0.821 -0.903 5.075 382 1HB LYS 54 1HB LYS 54 0.964 1.193 6.161 383 2HB LYS 54 2HB LYS 54 0.374 0.555 7.702 384 1HG LYS 54 1HG LYS 54 2.446 -0.421 8.258 385 2HG LYS 54 2HG LYS 54 3.040 -0.320 6.598 386 1HD LYS 54 1HD LYS 54 4.076 1.339 8.157 387 2HD LYS 54 2HD LYS 54 3.360 2.020 6.704 388 1HE LYS 54 1HE LYS 54 2.932 3.438 8.611 389 2HE LYS 54 2HE LYS 54 1.424 2.830 7.947 390 1HZ LYS 54 1HZ LYS 54 1.721 2.871 10.414 391 2HZ LYS 54 2HZ LYS 54 1.101 1.484 9.815 392 3HZ LYS 54 3HZ LYS 54 2.707 1.565 10.281 393 H LEU 55 H LEU 55 2.047 -2.632 5.071 394 HA LEU 55 HA LEU 55 2.158 -4.210 7.555 395 1HB LEU 55 1HB LEU 55 1.632 -6.328 6.401 396 2HB LEU 55 2HB LEU 55 0.316 -5.217 6.730 397 HG LEU 55 HG LEU 55 0.046 -4.688 4.407 398 1HD1 LEU 55 1HD1 LEU 55 2.449 -6.496 3.877 399 2HD1 LEU 55 2HD1 LEU 55 1.310 -5.905 2.647 400 3HD1 LEU 55 3HD1 LEU 55 2.310 -4.754 3.524 401 1HD2 LEU 55 1HD2 LEU 55 0.405 -7.692 4.793 402 2HD2 LEU 55 2HD2 LEU 55 -1.020 -6.792 5.291 403 3HD2 LEU 55 3HD2 LEU 55 -0.613 -6.920 3.571 404 H ASN 56 H ASN 56 3.637 -5.871 7.653 405 HA ASN 56 HA ASN 56 6.152 -5.172 6.300 406 1HB ASN 56 1HB ASN 56 5.708 -5.565 8.909 407 2HB ASN 56 2HB ASN 56 5.891 -7.262 8.479 408 1HD2 ASN 56 1HD2 ASN 56 7.523 -4.187 8.965 409 2HD2 ASN 56 2HD2 ASN 56 9.123 -4.787 8.643 410 H VAL 57 H VAL 57 6.256 -6.203 4.308 411 HA VAL 57 HA VAL 57 4.610 -8.388 3.661 412 HB VAL 57 HB VAL 57 5.566 -6.558 2.243 413 1HG1 VAL 57 1HG1 VAL 57 7.959 -6.869 2.558 414 2HG1 VAL 57 2HG1 VAL 57 7.878 -8.521 1.903 415 3HG1 VAL 57 3HG1 VAL 57 7.544 -7.140 0.855 416 1HG2 VAL 57 1HG2 VAL 57 4.131 -8.418 1.441 417 2HG2 VAL 57 2HG2 VAL 57 5.220 -7.744 0.227 418 3HG2 VAL 57 3HG2 VAL 57 5.606 -9.297 1.002 419 H ASP 58 H ASP 58 7.590 -8.418 5.333 420 HA ASP 58 HA ASP 58 8.550 -11.068 4.783 421 1HB ASP 58 1HB ASP 58 9.714 -9.095 5.929 422 2HB ASP 58 2HB ASP 58 8.759 -9.499 7.351 423 H GLU 59 H GLU 59 6.071 -9.695 6.926 424 HA GLU 59 HA GLU 59 5.457 -12.201 8.327 425 1HB GLU 59 1HB GLU 59 5.088 -10.023 9.416 426 2HB GLU 59 2HB GLU 59 4.020 -9.551 8.099 427 1HG GLU 59 1HG GLU 59 2.484 -11.483 8.757 428 2HG GLU 59 2HG GLU 59 3.464 -11.634 10.215 429 H ASN 60 H ASN 60 4.457 -10.461 5.432 430 HA ASN 60 HA ASN 60 2.059 -12.177 5.168 431 1HB ASN 60 1HB ASN 60 1.290 -10.018 5.457 432 2HB ASN 60 2HB ASN 60 2.580 -9.296 4.512 433 1HD2 ASN 60 1HD2 ASN 60 0.236 -11.995 3.639 434 2HD2 ASN 60 2HD2 ASN 60 -0.153 -11.242 2.113 435 HA PRO 61 HA PRO 61 4.137 -13.579 1.350 436 1HB PRO 61 1HB PRO 61 3.744 -16.247 1.621 437 2HB PRO 61 2HB PRO 61 5.071 -15.391 2.466 438 1HG PRO 61 1HG PRO 61 2.334 -16.126 3.575 439 2HG PRO 61 2HG PRO 61 3.942 -16.449 4.302 440 1HD PRO 61 1HD PRO 61 2.448 -14.288 5.009 441 2HD PRO 61 2HD PRO 61 4.225 -14.192 4.908 442 H GLU 62 H GLU 62 0.861 -13.978 2.811 443 HA GLU 62 HA GLU 62 -0.247 -15.306 0.532 444 1HB GLU 62 1HB GLU 62 -1.053 -15.326 2.917 445 2HB GLU 62 2HB GLU 62 -1.732 -13.713 2.658 446 1HG GLU 62 1HG GLU 62 -2.430 -15.919 0.707 447 2HG GLU 62 2HG GLU 62 -3.097 -16.014 2.328 448 H THR 63 H THR 63 -1.018 -14.485 -1.303 449 HA THR 63 HA THR 63 -1.431 -13.195 -3.041 450 HB THR 63 HB THR 63 -2.208 -11.132 -0.965 451 HG1 THR 63 1HG THR 63 -3.572 -12.970 -1.014 452 1HG2 THR 63 1HG2 THR 63 -2.744 -11.087 -3.961 453 2HG2 THR 63 2HG2 THR 63 -3.425 -9.982 -2.751 454 3HG2 THR 63 3HG2 THR 63 -1.690 -9.940 -3.092 455 H THR 64 H THR 64 0.816 -11.950 -0.768 456 HA THR 64 HA THR 64 2.518 -10.334 -2.374 457 HB THR 64 HB THR 64 3.023 -12.289 -0.139 458 HG1 THR 64 1HG THR 64 2.985 -10.584 1.098 459 1HG2 THR 64 1HG2 THR 64 5.202 -11.477 0.294 460 2HG2 THR 64 2HG2 THR 64 5.194 -12.060 -1.365 461 3HG2 THR 64 3HG2 THR 64 5.130 -10.317 -1.033 462 H SER 65 H SER 65 2.684 -13.892 -1.782 463 HA SER 65 HA SER 65 4.592 -14.350 -3.875 464 1HB SER 65 1HB SER 65 4.299 -15.800 -1.869 465 2HB SER 65 2HB SER 65 2.715 -16.310 -2.495 466 HG SER 65 HG SER 65 4.016 -16.816 -4.482 467 H GLN 66 H GLN 66 1.341 -13.459 -4.264 468 HA GLN 66 HA GLN 66 0.922 -15.156 -6.653 469 1HB GLN 66 1HB GLN 66 -0.858 -14.785 -4.864 470 2HB GLN 66 2HB GLN 66 -0.965 -13.113 -5.422 471 1HG GLN 66 1HG GLN 66 -1.579 -13.878 -7.685 472 2HG GLN 66 2HG GLN 66 -1.429 -15.564 -7.172 473 1HE2 GLN 66 1HE2 GLN 66 -3.080 -16.455 -5.690 474 2HE2 GLN 66 2HE2 GLN 66 -4.572 -15.553 -5.453 475 H PHE 67 H PHE 67 1.528 -11.734 -5.622 476 HA PHE 67 HA PHE 67 1.517 -10.964 -8.500 477 1HB PHE 67 1HB PHE 67 1.073 -9.421 -5.944 478 2HB PHE 67 2HB PHE 67 1.409 -8.631 -7.483 479 HD1 PHE 67 1HD PHE 67 -1.071 -10.628 -5.605 480 HD2 PHE 67 2HD PHE 67 -0.179 -8.682 -9.343 481 HE1 PHE 67 1HE PHE 67 -3.445 -10.864 -6.295 482 HE2 PHE 67 2HE PHE 67 -2.551 -8.905 -10.023 483 HZ PHE 67 HZ PHE 67 -4.189 -9.999 -8.495 484 H GLY 68 H GLY 68 3.755 -12.240 -6.635 485 1HA GLY 68 1HA GLY 68 6.051 -12.295 -6.803 486 2HA GLY 68 2HA GLY 68 5.910 -11.205 -8.194 487 H ILE 69 H ILE 69 4.790 -10.572 -4.871 488 HA ILE 69 HA ILE 69 5.840 -7.903 -5.061 489 HB ILE 69 HB ILE 69 4.464 -9.330 -2.783 490 1HG1 ILE 69 1HG1 ILE 69 3.012 -9.328 -4.718 491 2HG1 ILE 69 2HG1 ILE 69 2.409 -8.225 -3.497 492 1HG2 ILE 69 1HG2 ILE 69 4.911 -6.354 -3.224 493 2HG2 ILE 69 2HG2 ILE 69 3.870 -7.091 -1.980 494 3HG2 ILE 69 3HG2 ILE 69 5.609 -7.357 -1.945 495 1HD1 ILE 69 1HD1 ILE 69 3.898 -7.417 -6.036 496 2HD1 ILE 69 2HD1 ILE 69 2.169 -7.237 -5.698 497 3HD1 ILE 69 3HD1 ILE 69 3.340 -6.300 -4.767 498 H MET 70 H MET 70 8.028 -8.330 -5.320 499 HA MET 70 HA MET 70 9.435 -8.274 -2.673 500 1HB MET 70 1HB MET 70 9.955 -10.234 -4.183 501 2HB MET 70 2HB MET 70 10.633 -9.092 -5.350 502 1HG MET 70 1HG MET 70 12.331 -8.407 -3.709 503 2HG MET 70 2HG MET 70 11.572 -9.416 -2.471 504 1HE MET 70 1HE MET 70 13.921 -10.472 -1.909 505 2HE MET 70 2HE MET 70 15.003 -11.180 -3.130 506 3HE MET 70 3HE MET 70 14.662 -9.434 -3.152 507 H SER 71 H SER 71 8.225 -6.289 -5.028 508 HA SER 71 HA SER 71 10.437 -4.733 -5.870 509 1HB SER 71 1HB SER 71 8.560 -3.427 -6.906 510 2HB SER 71 2HB SER 71 8.546 -5.145 -7.281 511 HG SER 71 HG SER 71 6.413 -4.373 -6.720 512 H ILE 72 H ILE 72 10.122 -4.751 -2.921 513 HA ILE 72 HA ILE 72 8.509 -2.635 -2.161 514 HB ILE 72 HB ILE 72 9.298 -2.943 0.134 515 1HG1 ILE 72 1HG1 ILE 72 11.207 -5.039 -0.982 516 2HG1 ILE 72 2HG1 ILE 72 11.687 -3.452 -0.365 517 1HG2 ILE 72 1HG2 ILE 72 7.510 -4.315 -0.985 518 2HG2 ILE 72 2HG2 ILE 72 8.722 -5.588 -1.244 519 3HG2 ILE 72 3HG2 ILE 72 8.285 -5.067 0.402 520 1HD1 ILE 72 1HD1 ILE 72 10.400 -5.699 1.212 521 2HD1 ILE 72 2HD1 ILE 72 12.015 -4.989 1.414 522 3HD1 ILE 72 3HD1 ILE 72 10.580 -4.038 1.834 523 HA PRO 73 HA PRO 73 8.239 -1.069 -0.186 524 1HB PRO 73 1HB PRO 73 7.447 1.519 -0.546 525 2HB PRO 73 2HB PRO 73 8.524 0.998 0.747 526 1HG PRO 73 1HG PRO 73 9.247 2.239 -1.905 527 2HG PRO 73 2HG PRO 73 9.971 2.586 -0.308 528 1HD PRO 73 1HD PRO 73 11.171 0.960 -2.157 529 2HD PRO 73 2HD PRO 73 11.304 0.637 -0.411 530 H THR 74 H THR 74 6.361 -1.732 -1.076 531 HA THR 74 HA THR 74 5.747 -0.893 -3.871 532 HB THR 74 HB THR 74 4.817 -3.492 -2.631 533 HG1 THR 74 1HG THR 74 6.707 -3.879 -4.489 534 1HG2 THR 74 1HG2 THR 74 4.429 -4.117 -4.947 535 2HG2 THR 74 2HG2 THR 74 3.569 -2.617 -4.559 536 3HG2 THR 74 3HG2 THR 74 5.065 -2.544 -5.489 537 H LEU 75 H LEU 75 3.838 0.097 -4.157 538 HA LEU 75 HA LEU 75 1.816 0.237 -1.949 539 1HB LEU 75 1HB LEU 75 3.109 2.254 -1.996 540 2HB LEU 75 2HB LEU 75 2.909 2.448 -3.692 541 HG LEU 75 HG LEU 75 0.347 2.056 -2.175 542 1HD1 LEU 75 1HD1 LEU 75 1.989 4.570 -1.809 543 2HD1 LEU 75 2HD1 LEU 75 0.268 4.398 -1.387 544 3HD1 LEU 75 3HD1 LEU 75 1.486 3.422 -0.554 545 1HD2 LEU 75 1HD2 LEU 75 1.374 3.877 -4.377 546 2HD2 LEU 75 2HD2 LEU 75 0.216 2.527 -4.511 547 3HD2 LEU 75 3HD2 LEU 75 -0.237 4.040 -3.707 548 H ILE 76 H ILE 76 0.192 -1.057 -2.645 549 HA ILE 76 HA ILE 76 -0.502 -0.826 -5.531 550 HB ILE 76 HB ILE 76 -0.868 -3.304 -3.862 551 1HG1 ILE 76 1HG1 ILE 76 1.291 -2.489 -5.817 552 2HG1 ILE 76 2HG1 ILE 76 1.450 -3.164 -4.197 553 1HG2 ILE 76 1HG2 ILE 76 -1.573 -4.370 -5.956 554 2HG2 ILE 76 2HG2 ILE 76 -2.565 -2.955 -5.694 555 3HG2 ILE 76 3HG2 ILE 76 -1.231 -2.892 -6.867 556 1HD1 ILE 76 1HD1 ILE 76 0.681 -5.370 -5.055 557 2HD1 ILE 76 2HD1 ILE 76 0.601 -4.686 -6.696 558 3HD1 ILE 76 3HD1 ILE 76 2.147 -4.759 -5.865 559 H LEU 77 H LEU 77 -2.474 -0.387 -5.954 560 HA LEU 77 HA LEU 77 -4.367 0.112 -3.708 561 1HB LEU 77 1HB LEU 77 -3.527 2.068 -5.168 562 2HB LEU 77 2HB LEU 77 -4.550 1.423 -6.450 563 HG LEU 77 HG LEU 77 -5.679 1.890 -3.700 564 1HD1 LEU 77 1HD1 LEU 77 -6.264 4.251 -4.373 565 2HD1 LEU 77 2HD1 LEU 77 -4.574 3.944 -3.983 566 3HD1 LEU 77 3HD1 LEU 77 -5.060 4.065 -5.674 567 1HD2 LEU 77 1HD2 LEU 77 -7.750 2.468 -4.941 568 2HD2 LEU 77 2HD2 LEU 77 -6.883 2.302 -6.487 569 3HD2 LEU 77 3HD2 LEU 77 -7.175 0.888 -5.461 570 H PHE 78 H PHE 78 -6.339 -0.907 -3.823 571 HA PHE 78 HA PHE 78 -6.991 -2.622 -6.151 572 1HB PHE 78 1HB PHE 78 -7.242 -3.429 -3.229 573 2HB PHE 78 2HB PHE 78 -7.646 -4.409 -4.619 574 HD1 PHE 78 1HD PHE 78 -6.046 -5.906 -5.549 575 HD2 PHE 78 2HD PHE 78 -4.791 -2.875 -2.741 576 HE1 PHE 78 1HE PHE 78 -3.839 -7.013 -5.330 577 HE2 PHE 78 2HE PHE 78 -2.605 -3.998 -2.509 578 HZ PHE 78 HZ PHE 78 -2.110 -6.057 -3.828 579 H LYS 79 H LYS 79 -9.333 -3.144 -6.154 580 HA LYS 79 HA LYS 79 -10.846 -2.358 -3.820 581 1HB LYS 79 1HB LYS 79 -12.636 -1.104 -5.066 582 2HB LYS 79 2HB LYS 79 -11.126 -0.278 -4.751 583 1HG LYS 79 1HG LYS 79 -10.445 -0.825 -7.180 584 2HG LYS 79 2HG LYS 79 -12.112 -1.356 -7.415 585 1HD LYS 79 1HD LYS 79 -11.842 0.938 -8.171 586 2HD LYS 79 2HD LYS 79 -12.898 0.920 -6.748 587 1HE LYS 79 1HE LYS 79 -11.010 1.619 -5.312 588 2HE LYS 79 2HE LYS 79 -9.900 1.529 -6.677 589 1HZ LYS 79 1HZ LYS 79 -10.612 3.790 -6.246 590 2HZ LYS 79 2HZ LYS 79 -11.160 3.314 -7.720 591 3HZ LYS 79 3HZ LYS 79 -12.192 3.387 -6.441 592 H GLY 80 H GLY 80 -12.570 -3.644 -3.518 593 1HA GLY 80 1HA GLY 80 -13.690 -5.636 -3.615 594 2HA GLY 80 2HA GLY 80 -14.337 -4.913 -5.076 595 H GLY 81 H GLY 81 -11.253 -6.490 -4.090 596 1HA GLY 81 1HA GLY 81 -10.334 -8.484 -4.728 597 2HA GLY 81 2HA GLY 81 -11.680 -8.769 -5.834 598 H GLU 82 H GLU 82 -10.672 -5.749 -6.820 599 HA GLU 82 HA GLU 82 -8.991 -6.987 -8.909 600 1HB GLU 82 1HB GLU 82 -11.165 -6.087 -9.574 601 2HB GLU 82 2HB GLU 82 -10.700 -4.482 -8.984 602 1HG GLU 82 1HG GLU 82 -8.865 -4.384 -10.621 603 2HG GLU 82 2HG GLU 82 -9.203 -6.039 -11.141 604 HA PRO 83 HA PRO 83 -5.726 -4.165 -7.349 605 1HB PRO 83 1HB PRO 83 -3.720 -4.919 -9.034 606 2HB PRO 83 2HB PRO 83 -4.221 -5.922 -7.640 607 1HG PRO 83 1HG PRO 83 -5.031 -6.230 -10.542 608 2HG PRO 83 2HG PRO 83 -4.490 -7.496 -9.399 609 1HD PRO 83 1HD PRO 83 -7.126 -6.991 -9.941 610 2HD PRO 83 2HD PRO 83 -6.578 -7.565 -8.336 611 H VAL 84 H VAL 84 -5.360 -2.107 -8.013 612 HA VAL 84 HA VAL 84 -6.481 -1.284 -10.616 613 HB VAL 84 HB VAL 84 -5.922 0.250 -8.122 614 1HG1 VAL 84 1HG1 VAL 84 -7.374 1.101 -10.648 615 2HG1 VAL 84 2HG1 VAL 84 -7.287 2.035 -9.140 616 3HG1 VAL 84 3HG1 VAL 84 -5.815 1.737 -10.067 617 1HG2 VAL 84 1HG2 VAL 84 -7.810 -1.347 -7.842 618 2HG2 VAL 84 2HG2 VAL 84 -8.380 0.323 -7.855 619 3HG2 VAL 84 3HG2 VAL 84 -8.569 -0.697 -9.300 620 H LYS 85 H LYS 85 -3.581 -0.507 -8.534 621 HA LYS 85 HA LYS 85 -1.899 -0.764 -10.822 622 1HB LYS 85 1HB LYS 85 -0.943 1.430 -10.980 623 2HB LYS 85 2HB LYS 85 -2.674 1.583 -11.199 624 1HG LYS 85 1HG LYS 85 -2.732 2.235 -8.656 625 2HG LYS 85 2HG LYS 85 -0.976 2.368 -8.809 626 1HD LYS 85 1HD LYS 85 -1.684 4.564 -9.264 627 2HD LYS 85 2HD LYS 85 -1.491 3.895 -10.889 628 1HE LYS 85 1HE LYS 85 -3.965 3.260 -10.800 629 2HE LYS 85 2HE LYS 85 -4.064 4.149 -9.268 630 1HZ LYS 85 1HZ LYS 85 -3.398 6.153 -10.475 631 2HZ LYS 85 2HZ LYS 85 -3.398 5.321 -11.898 632 3HZ LYS 85 3HZ LYS 85 -4.792 5.559 -11.044 633 H GLN 86 H GLN 86 0.407 -0.413 -10.204 634 HA GLN 86 HA GLN 86 0.981 -0.807 -7.333 635 1HB GLN 86 1HB GLN 86 1.267 -2.965 -8.240 636 2HB GLN 86 2HB GLN 86 1.975 -2.362 -9.746 637 1HG GLN 86 1HG GLN 86 4.019 -1.779 -8.704 638 2HG GLN 86 2HG GLN 86 3.388 -2.025 -7.082 639 1HE2 GLN 86 1HE2 GLN 86 2.295 -4.676 -8.970 640 2HE2 GLN 86 2HE2 GLN 86 3.626 -5.751 -8.579 641 H LEU 87 H LEU 87 2.442 0.562 -6.591 642 HA LEU 87 HA LEU 87 4.165 2.212 -8.371 643 1HB LEU 87 1HB LEU 87 2.790 2.627 -5.710 644 2HB LEU 87 2HB LEU 87 4.299 3.461 -6.012 645 HG LEU 87 HG LEU 87 2.502 4.947 -6.355 646 1HD1 LEU 87 1HD1 LEU 87 4.523 4.861 -7.955 647 2HD1 LEU 87 2HD1 LEU 87 3.381 4.252 -9.164 648 3HD1 LEU 87 3HD1 LEU 87 3.135 5.847 -8.405 649 1HD2 LEU 87 1HD2 LEU 87 1.341 3.097 -8.473 650 2HD2 LEU 87 2HD2 LEU 87 0.688 3.305 -6.833 651 3HD2 LEU 87 3HD2 LEU 87 0.709 4.673 -7.961 652 H ILE 88 H ILE 88 6.374 2.193 -7.777 653 HA ILE 88 HA ILE 88 7.250 0.230 -5.754 654 HB ILE 88 HB ILE 88 8.870 -0.636 -7.515 655 1HG1 ILE 88 1HG1 ILE 88 6.814 0.493 -9.489 656 2HG1 ILE 88 2HG1 ILE 88 8.462 1.091 -9.293 657 1HG2 ILE 88 1HG2 ILE 88 5.902 -1.203 -7.789 658 2HG2 ILE 88 2HG2 ILE 88 7.206 -2.317 -8.218 659 3HG2 ILE 88 3HG2 ILE 88 6.971 -1.835 -6.530 660 1HD1 ILE 88 1HD1 ILE 88 7.641 -1.649 -10.312 661 2HD1 ILE 88 2HD1 ILE 88 8.415 -0.338 -11.208 662 3HD1 ILE 88 3HD1 ILE 88 9.319 -1.184 -9.933 663 H GLY 89 H GLY 89 8.647 1.080 -4.515 664 1HA GLY 89 1HA GLY 89 10.682 2.160 -3.957 665 2HA GLY 89 2HA GLY 89 10.696 2.989 -5.519 666 H TYR 90 H TYR 90 11.237 4.453 -3.375 667 HA TYR 90 HA TYR 90 9.008 5.647 -2.014 668 1HB TYR 90 1HB TYR 90 11.230 5.246 -1.070 669 2HB TYR 90 2HB TYR 90 11.912 6.406 -2.194 670 HD1 TYR 90 1HD TYR 90 8.889 7.996 -1.193 671 HD2 TYR 90 2HD TYR 90 12.759 6.804 0.330 672 HE1 TYR 90 1HE TYR 90 8.819 9.824 0.429 673 HE2 TYR 90 2HE TYR 90 12.652 8.606 2.010 674 HH TYR 90 HH TYR 90 11.414 10.410 2.827 675 H GLN 91 H GLN 91 7.705 6.237 -3.898 676 HA GLN 91 HA GLN 91 8.477 8.575 -5.450 677 1HB GLN 91 1HB GLN 91 5.574 8.388 -4.929 678 2HB GLN 91 2HB GLN 91 6.445 8.532 -6.420 679 1HG GLN 91 1HG GLN 91 6.061 5.896 -4.976 680 2HG GLN 91 2HG GLN 91 5.007 6.542 -6.226 681 1HE2 GLN 91 1HE2 GLN 91 7.581 4.487 -5.768 682 2HE2 GLN 91 2HE2 GLN 91 8.165 4.410 -7.407 683 HA PRO 92 HA PRO 92 7.575 11.390 -1.938 684 1HB PRO 92 1HB PRO 92 7.733 13.798 -3.231 685 2HB PRO 92 2HB PRO 92 9.179 12.850 -2.765 686 1HG PRO 92 1HG PRO 92 7.809 12.961 -5.460 687 2HG PRO 92 2HG PRO 92 9.559 13.080 -5.105 688 1HD PRO 92 1HD PRO 92 8.362 10.735 -5.887 689 2HD PRO 92 2HD PRO 92 9.747 10.759 -4.757 690 H LYS 93 H LYS 93 5.713 12.857 -1.469 691 HA LYS 93 HA LYS 93 3.349 11.604 -2.222 692 1HB LYS 93 1HB LYS 93 4.149 13.943 -0.596 693 2HB LYS 93 2HB LYS 93 2.601 14.176 -1.357 694 1HG LYS 93 1HG LYS 93 2.257 13.155 0.828 695 2HG LYS 93 2HG LYS 93 1.719 12.089 -0.465 696 1HD LYS 93 1HD LYS 93 2.847 10.712 1.146 697 2HD LYS 93 2HD LYS 93 3.916 10.811 -0.240 698 1HE LYS 93 1HE LYS 93 5.470 11.301 1.362 699 2HE LYS 93 2HE LYS 93 4.853 12.947 1.139 700 1HZ LYS 93 1HZ LYS 93 3.277 12.486 2.966 701 2HZ LYS 93 2HZ LYS 93 3.929 11.018 3.195 702 3HZ LYS 93 3HZ LYS 93 4.838 12.380 3.465 703 H GLU 94 H GLU 94 4.648 14.618 -3.547 704 HA GLU 94 HA GLU 94 2.462 15.306 -5.189 705 1HB GLU 94 1HB GLU 94 4.441 16.700 -4.597 706 2HB GLU 94 2HB GLU 94 5.466 15.686 -5.616 707 1HG GLU 94 1HG GLU 94 4.224 16.427 -7.622 708 2HG GLU 94 2HG GLU 94 3.126 17.375 -6.603 709 H GLN 95 H GLN 95 4.798 12.711 -5.667 710 HA GLN 95 HA GLN 95 4.267 12.365 -8.542 711 1HB GLN 95 1HB GLN 95 6.523 12.095 -7.106 712 2HB GLN 95 2HB GLN 95 5.849 10.560 -6.677 713 1HG GLN 95 1HG GLN 95 6.896 11.543 -9.309 714 2HG GLN 95 2HG GLN 95 7.379 10.127 -8.382 715 1HE2 GLN 95 1HE2 GLN 95 6.285 8.006 -8.858 716 2HE2 GLN 95 2HE2 GLN 95 5.061 8.002 -10.109 717 H LEU 96 H LEU 96 3.910 10.847 -5.335 718 HA LEU 96 HA LEU 96 2.585 8.486 -6.003 719 1HB LEU 96 1HB LEU 96 3.767 9.532 -3.846 720 2HB LEU 96 2HB LEU 96 2.100 9.798 -3.397 721 HG LEU 96 HG LEU 96 3.142 7.107 -4.394 722 1HD1 LEU 96 1HD1 LEU 96 4.457 7.809 -2.427 723 2HD1 LEU 96 2HD1 LEU 96 2.953 8.010 -1.498 724 3HD1 LEU 96 3HD1 LEU 96 3.424 6.408 -2.118 725 1HD2 LEU 96 1HD2 LEU 96 1.206 6.158 -3.273 726 2HD2 LEU 96 2HD2 LEU 96 0.755 7.731 -2.606 727 3HD2 LEU 96 3HD2 LEU 96 0.648 7.436 -4.355 728 H GLU 97 H GLU 97 1.085 11.560 -4.659 729 HA GLU 97 HA GLU 97 -1.542 10.589 -5.215 730 1HB GLU 97 1HB GLU 97 -0.271 13.035 -4.138 731 2HB GLU 97 2HB GLU 97 -1.683 13.373 -5.098 732 1HG GLU 97 1HG GLU 97 -1.544 11.520 -2.699 733 2HG GLU 97 2HG GLU 97 -2.034 13.193 -2.651 734 H ALA 98 H ALA 98 0.922 12.320 -7.272 735 HA ALA 98 HA ALA 98 -1.205 12.986 -9.178 736 1HB ALA 98 1HB ALA 98 1.815 12.739 -9.614 737 2HB ALA 98 2HB ALA 98 0.654 13.380 -10.795 738 3HB ALA 98 3HB ALA 98 0.908 14.236 -9.266 739 H GLN 99 H GLN 99 0.762 10.103 -8.566 740 HA GLN 99 HA GLN 99 -0.332 8.687 -10.903 741 1HB GLN 99 1HB GLN 99 1.502 8.078 -8.685 742 2HB GLN 99 2HB GLN 99 0.282 6.833 -8.812 743 1HG GLN 99 1HG GLN 99 1.847 5.981 -10.244 744 2HG GLN 99 2HG GLN 99 0.854 6.849 -11.397 745 1HE2 GLN 99 1HE2 GLN 99 1.756 9.546 -10.914 746 2HE2 GLN 99 2HE2 GLN 99 3.492 9.641 -11.129 747 H LEU 100 H LEU 100 -1.697 9.547 -7.898 748 HA LEU 100 HA LEU 100 -3.603 7.264 -8.022 749 1HB LEU 100 1HB LEU 100 -1.550 7.693 -6.281 750 2HB LEU 100 2HB LEU 100 -2.859 8.470 -5.427 751 HG LEU 100 HG LEU 100 -4.068 6.245 -5.509 752 1HD1 LEU 100 1HD1 LEU 100 -3.140 5.254 -7.533 753 2HD1 LEU 100 2HD1 LEU 100 -1.483 5.368 -6.893 754 3HD1 LEU 100 3HD1 LEU 100 -2.653 4.239 -6.179 755 1HD2 LEU 100 1HD2 LEU 100 -1.200 6.093 -4.473 756 2HD2 LEU 100 2HD2 LEU 100 -2.554 6.850 -3.617 757 3HD2 LEU 100 3HD2 LEU 100 -2.566 5.110 -3.918 758 H ALA 101 H ALA 101 -3.524 10.661 -7.997 759 HA ALA 101 HA ALA 101 -5.839 11.429 -6.723 760 1HB ALA 101 1HB ALA 101 -4.203 12.992 -7.608 761 2HB ALA 101 2HB ALA 101 -4.507 12.457 -9.273 762 3HB ALA 101 3HB ALA 101 -5.758 13.342 -8.372 763 H ASP 102 H ASP 102 -5.704 9.368 -9.555 764 HA ASP 102 HA ASP 102 -8.390 9.965 -10.508 765 1HB ASP 102 1HB ASP 102 -8.017 7.930 -11.866 766 2HB ASP 102 2HB ASP 102 -6.671 9.059 -12.016 767 H VAL 103 H VAL 103 -7.037 7.989 -7.910 768 HA VAL 103 HA VAL 103 -9.715 6.930 -7.326 769 HB VAL 103 HB VAL 103 -8.283 5.053 -6.360 770 1HG1 VAL 103 1HG1 VAL 103 -9.806 4.954 -8.404 771 2HG1 VAL 103 2HG1 VAL 103 -8.372 5.234 -9.393 772 3HG1 VAL 103 3HG1 VAL 103 -8.481 3.771 -8.396 773 1HG2 VAL 103 1HG2 VAL 103 -6.227 6.002 -8.381 774 2HG2 VAL 103 2HG2 VAL 103 -6.049 5.988 -6.616 775 3HG2 VAL 103 3HG2 VAL 103 -6.217 4.468 -7.525 776 H LEU 104 H LEU 104 -7.238 8.956 -6.195 777 HA LEU 104 HA LEU 104 -8.634 9.124 -3.613 778 1HB LEU 104 1HB LEU 104 -6.115 10.282 -4.860 779 2HB LEU 104 2HB LEU 104 -6.871 11.099 -3.543 780 HG LEU 104 HG LEU 104 -5.136 9.805 -2.596 781 1HD1 LEU 104 1HD1 LEU 104 -6.196 8.435 -1.014 782 2HD1 LEU 104 2HD1 LEU 104 -7.302 9.780 -1.391 783 3HD1 LEU 104 3HD1 LEU 104 -7.596 8.147 -2.061 784 1HD2 LEU 104 1HD2 LEU 104 -4.784 8.192 -4.396 785 2HD2 LEU 104 2HD2 LEU 104 -4.862 7.395 -2.814 786 3HD2 LEU 104 3HD2 LEU 104 -6.241 7.299 -3.924 787 H GLN 105 H GLN 105 -9.377 9.903 -6.685 788 HA GLN 105 HA GLN 105 -10.454 12.517 -6.548 789 1HB GLN 105 2HB GLN 105 -10.397 11.453 -8.640 790 2HB GLN 105 3HB GLN 105 -11.181 10.015 -8.023 791 1HG GLN 105 2HG GLN 105 -12.716 11.214 -9.436 792 2HG GLN 105 3HG GLN 105 -13.325 11.285 -7.794 793 1HE2 GLN 105 1HE2 GLN 105 -12.732 13.384 -6.532 794 2HE2 GLN 105 2HE2 GLN 105 -12.772 14.868 -7.508 Start of MODEL 9 1 1H ALA 1 H ALA 1 -8.147 -0.883 7.363 2 2H ALA 1 2HN ALA 1 -8.961 -0.812 5.932 3 3H ALA 1 3HN ALA 1 -7.364 -0.380 6.003 4 HA ALA 1 HA ALA 1 -8.790 1.514 5.809 5 1HB ALA 1 1HB ALA 1 -10.136 2.193 7.744 6 2HB ALA 1 2HB ALA 1 -10.727 0.689 7.017 7 3HB ALA 1 3HB ALA 1 -9.794 0.635 8.534 8 H THR 2 H THR 2 -7.190 0.373 8.858 9 HA THR 2 HA THR 2 -5.416 2.727 8.824 10 HB THR 2 HB THR 2 -7.588 3.317 9.925 11 HG1 THR 2 1HG THR 2 -5.329 2.928 11.545 12 1HG2 THR 2 1HG2 THR 2 -7.003 0.946 11.782 13 2HG2 THR 2 2HG2 THR 2 -8.294 2.141 11.990 14 3HG2 THR 2 3HG2 THR 2 -8.326 1.038 10.611 15 H MET 3 H MET 3 -5.183 -0.416 8.710 16 HA MET 3 HA MET 3 -4.033 -0.837 11.426 17 1HB MET 3 1HB MET 3 -6.385 -1.729 10.858 18 2HB MET 3 2HB MET 3 -5.549 -2.962 9.905 19 1HG MET 3 1HG MET 3 -4.360 -3.687 11.980 20 2HG MET 3 2HG MET 3 -5.160 -2.395 12.877 21 1HE MET 3 1HE MET 3 -5.029 -5.388 13.768 22 2HE MET 3 2HE MET 3 -5.907 -4.152 14.701 23 3HE MET 3 3HE MET 3 -6.697 -5.695 14.304 24 H THR 4 H THR 4 -2.591 -2.574 11.821 25 HA THR 4 HA THR 4 -0.666 -3.309 9.865 26 HB THR 4 HB THR 4 -1.288 -4.690 12.469 27 HG1 THR 4 1HG THR 4 0.247 -2.340 12.086 28 1HG2 THR 4 1HG2 THR 4 1.305 -4.239 10.914 29 2HG2 THR 4 2HG2 THR 4 1.194 -4.991 12.523 30 3HG2 THR 4 3HG2 THR 4 0.449 -5.781 11.129 31 H LEU 5 H LEU 5 -0.506 -5.311 8.788 32 HA LEU 5 HA LEU 5 -2.978 -6.974 8.688 33 1HB LEU 5 1HB LEU 5 -1.738 -5.171 6.764 34 2HB LEU 5 2HB LEU 5 -1.770 -6.814 6.123 35 HG LEU 5 HG LEU 5 -4.167 -6.895 6.431 36 1HD1 LEU 5 1HD1 LEU 5 -5.340 -4.596 6.877 37 2HD1 LEU 5 2HD1 LEU 5 -4.801 -5.582 8.221 38 3HD1 LEU 5 3HD1 LEU 5 -3.830 -4.206 7.746 39 1HD2 LEU 5 1HD2 LEU 5 -3.241 -6.160 4.316 40 2HD2 LEU 5 2HD2 LEU 5 -4.681 -5.187 4.641 41 3HD2 LEU 5 3HD2 LEU 5 -3.054 -4.525 4.884 42 H THR 6 H THR 6 -2.648 -9.119 7.722 43 HA THR 6 HA THR 6 0.095 -10.182 8.089 44 HB THR 6 HB THR 6 -0.928 -12.070 9.302 45 HG1 THR 6 1HG THR 6 -2.943 -12.309 8.977 46 1HG2 THR 6 1HG2 THR 6 -1.289 -11.008 11.427 47 2HG2 THR 6 2HG2 THR 6 -0.006 -10.121 10.584 48 3HG2 THR 6 3HG2 THR 6 -1.649 -9.445 10.669 49 H ASP 7 H ASP 7 -3.056 -11.259 7.277 50 HA ASP 7 HA ASP 7 -2.600 -12.387 4.645 51 1HB ASP 7 1HB ASP 7 -2.731 -14.704 5.451 52 2HB ASP 7 2HB ASP 7 -1.257 -13.895 5.973 53 H ALA 8 H ALA 8 -4.526 -13.460 7.470 54 HA ALA 8 HA ALA 8 -7.028 -13.452 6.062 55 1HB ALA 8 1HB ALA 8 -7.976 -13.747 8.330 56 2HB ALA 8 2HB ALA 8 -6.594 -14.835 8.071 57 3HB ALA 8 3HB ALA 8 -6.395 -13.363 9.050 58 H ASN 9 H ASN 9 -5.230 -11.093 8.008 59 HA ASN 9 HA ASN 9 -7.484 -9.241 8.023 60 1HB ASN 9 1HB ASN 9 -5.622 -9.438 9.818 61 2HB ASN 9 2HB ASN 9 -4.693 -8.415 8.719 62 1HD2 ASN 9 1HD2 ASN 9 -4.737 -6.565 10.413 63 2HD2 ASN 9 2HD2 ASN 9 -6.291 -5.852 10.735 64 H PHE 10 H PHE 10 -4.954 -10.081 5.815 65 HA PHE 10 HA PHE 10 -4.881 -7.565 4.352 66 1HB PHE 10 1HB PHE 10 -3.022 -9.303 4.372 67 2HB PHE 10 2HB PHE 10 -4.040 -10.319 3.374 68 HD1 PHE 10 1HD PHE 10 -5.020 -8.980 1.128 69 HD2 PHE 10 2HD PHE 10 -1.288 -8.218 3.200 70 HE1 PHE 10 1HE PHE 10 -4.077 -8.017 -0.907 71 HE2 PHE 10 2HE PHE 10 -0.356 -7.335 1.153 72 HZ PHE 10 HZ PHE 10 -1.725 -7.204 -0.935 73 H GLN 11 H GLN 11 -6.352 -10.806 3.799 74 HA GLN 11 HA GLN 11 -7.975 -9.897 1.625 75 1HB GLN 11 1HB GLN 11 -8.371 -12.263 3.505 76 2HB GLN 11 2HB GLN 11 -9.243 -11.982 1.985 77 1HG GLN 11 1HG GLN 11 -7.048 -11.971 0.763 78 2HG GLN 11 2HG GLN 11 -6.228 -12.391 2.278 79 1HE2 GLN 11 1HE2 GLN 11 -5.614 -14.113 0.421 80 2HE2 GLN 11 2HE2 GLN 11 -6.576 -15.587 0.562 81 H GLN 12 H GLN 12 -8.647 -9.955 5.173 82 HA GLN 12 HA GLN 12 -11.298 -8.984 5.046 83 1HB GLN 12 1HB GLN 12 -10.075 -9.757 7.113 84 2HB GLN 12 2HB GLN 12 -9.153 -8.256 7.073 85 1HG GLN 12 1HG GLN 12 -10.889 -8.046 8.709 86 2HG GLN 12 2HG GLN 12 -11.241 -6.951 7.381 87 1HE2 GLN 12 1HE2 GLN 12 -11.924 -10.483 8.072 88 2HE2 GLN 12 2HE2 GLN 12 -13.639 -10.315 7.713 89 H ALA 13 H ALA 13 -8.165 -7.094 5.001 90 HA ALA 13 HA ALA 13 -9.455 -4.588 4.982 91 1HB ALA 13 1HB ALA 13 -7.067 -4.940 5.500 92 2HB ALA 13 2HB ALA 13 -6.758 -5.298 3.782 93 3HB ALA 13 3HB ALA 13 -7.308 -3.683 4.270 94 H ILE 14 H ILE 14 -8.477 -6.664 2.202 95 HA ILE 14 HA ILE 14 -9.329 -4.638 0.295 96 HB ILE 14 HB ILE 14 -9.081 -6.430 -1.424 97 1HG1 ILE 14 1HG1 ILE 14 -7.523 -8.012 0.601 98 2HG1 ILE 14 2HG1 ILE 14 -9.197 -8.417 0.210 99 1HG2 ILE 14 1HG2 ILE 14 -6.678 -5.709 0.315 100 2HG2 ILE 14 2HG2 ILE 14 -6.616 -6.165 -1.397 101 3HG2 ILE 14 3HG2 ILE 14 -7.417 -4.674 -0.924 102 1HD1 ILE 14 1HD1 ILE 14 -6.887 -8.364 -1.764 103 2HD1 ILE 14 2HD1 ILE 14 -7.690 -9.790 -1.093 104 3HD1 ILE 14 3HD1 ILE 14 -8.588 -8.700 -2.165 105 H GLN 15 H GLN 15 -10.709 -7.748 0.924 106 HA GLN 15 HA GLN 15 -12.534 -8.818 0.329 107 1HB GLN 15 1HB GLN 15 -14.220 -8.514 1.920 108 2HB GLN 15 2HB GLN 15 -12.680 -8.128 2.667 109 1HG GLN 15 1HG GLN 15 -13.206 -5.701 2.500 110 2HG GLN 15 2HG GLN 15 -14.735 -6.083 1.692 111 1HE2 GLN 15 1HE2 GLN 15 -12.912 -6.460 4.711 112 2HE2 GLN 15 2HE2 GLN 15 -14.235 -6.924 5.752 113 H GLY 16 H GLY 16 -12.752 -5.722 -1.047 114 1HA GLY 16 1HA GLY 16 -14.897 -6.447 -2.882 115 2HA GLY 16 2HA GLY 16 -15.528 -5.597 -1.476 116 H ASP 17 H ASP 17 -16.337 -4.151 -3.027 117 HA ASP 17 HA ASP 17 -15.066 -2.904 -5.077 118 1HB ASP 17 1HB ASP 17 -17.566 -2.073 -3.594 119 2HB ASP 17 2HB ASP 17 -17.128 -1.625 -5.248 120 H GLY 18 H GLY 18 -14.543 -1.919 -1.850 121 1HA GLY 18 1HA GLY 18 -14.731 0.947 -2.246 122 2HA GLY 18 2HA GLY 18 -14.031 0.119 -0.846 123 HA PRO 19 HA PRO 19 -10.395 1.829 -3.391 124 1HB PRO 19 1HB PRO 19 -9.844 4.121 -1.929 125 2HB PRO 19 2HB PRO 19 -10.881 4.136 -3.365 126 1HG PRO 19 1HG PRO 19 -11.749 4.014 -0.470 127 2HG PRO 19 2HG PRO 19 -12.402 5.030 -1.785 128 1HD PRO 19 1HD PRO 19 -13.580 2.691 -0.974 129 2HD PRO 19 2HD PRO 19 -13.634 3.237 -2.676 130 H VAL 20 H VAL 20 -9.110 0.139 -2.506 131 HA VAL 20 HA VAL 20 -8.290 0.551 0.324 132 HB VAL 20 HB VAL 20 -8.457 -2.060 -1.216 133 1HG1 VAL 20 1HG1 VAL 20 -7.931 -3.165 0.946 134 2HG1 VAL 20 2HG1 VAL 20 -6.618 -2.125 0.424 135 3HG1 VAL 20 3HG1 VAL 20 -7.729 -1.592 1.705 136 1HG2 VAL 20 1HG2 VAL 20 -10.157 -1.520 1.201 137 2HG2 VAL 20 2HG2 VAL 20 -10.724 -1.085 -0.422 138 3HG2 VAL 20 3HG2 VAL 20 -10.320 -2.748 -0.047 139 H LEU 21 H LEU 21 -6.134 0.431 0.767 140 HA LEU 21 HA LEU 21 -4.369 -0.273 -1.450 141 1HB LEU 21 1HB LEU 21 -3.010 1.579 -1.542 142 2HB LEU 21 2HB LEU 21 -4.629 2.233 -1.523 143 HG LEU 21 HG LEU 21 -4.277 2.646 1.009 144 1HD1 LEU 21 1HD1 LEU 21 -2.254 1.445 1.575 145 2HD1 LEU 21 2HD1 LEU 21 -1.417 2.033 0.140 146 3HD1 LEU 21 3HD1 LEU 21 -1.753 3.125 1.483 147 1HD2 LEU 21 1HD2 LEU 21 -3.138 4.773 0.564 148 2HD2 LEU 21 2HD2 LEU 21 -2.574 4.170 -1.006 149 3HD2 LEU 21 3HD2 LEU 21 -4.301 4.424 -0.717 150 H VAL 22 H VAL 22 -2.293 -0.882 -0.837 151 HA VAL 22 HA VAL 22 -2.060 -1.810 1.990 152 HB VAL 22 HB VAL 22 -2.039 -3.216 -0.664 153 1HG1 VAL 22 1HG1 VAL 22 -0.279 -4.139 1.612 154 2HG1 VAL 22 2HG1 VAL 22 -0.807 -5.146 0.247 155 3HG1 VAL 22 3HG1 VAL 22 0.193 -3.726 -0.028 156 1HG2 VAL 22 1HG2 VAL 22 -3.981 -3.403 0.833 157 2HG2 VAL 22 2HG2 VAL 22 -3.182 -4.973 0.663 158 3HG2 VAL 22 3HG2 VAL 22 -2.943 -4.014 2.139 159 H ASP 23 H ASP 23 -0.258 -1.097 2.948 160 HA ASP 23 HA ASP 23 1.955 0.037 1.390 161 1HB ASP 23 1HB ASP 23 0.676 0.555 3.893 162 2HB ASP 23 2HB ASP 23 2.265 -0.064 4.286 163 H PHE 24 H PHE 24 3.282 -1.598 0.549 164 HA PHE 24 HA PHE 24 3.968 -3.951 2.221 165 1HB PHE 24 1HB PHE 24 4.509 -3.297 -0.683 166 2HB PHE 24 2HB PHE 24 5.225 -4.642 0.126 167 HD1 PHE 24 1HD PHE 24 3.731 -6.262 1.382 168 HD2 PHE 24 2HD PHE 24 2.377 -3.707 -1.807 169 HE1 PHE 24 1HE PHE 24 2.105 -7.967 0.708 170 HE2 PHE 24 2HE PHE 24 0.697 -5.432 -2.456 171 HZ PHE 24 HZ PHE 24 0.716 -7.665 -1.261 172 H TRP 25 H TRP 25 5.539 -3.625 3.585 173 HA TRP 25 HA TRP 25 8.037 -2.397 2.700 174 1HB TRP 25 1HB TRP 25 8.276 -0.940 4.550 175 2HB TRP 25 2HB TRP 25 6.698 -0.576 3.883 176 HD1 TRP 25 HD TRP 25 4.636 -2.074 5.250 177 HE1 TRP 25 1HE TRP 25 4.365 -2.528 7.739 178 HE3 TRP 25 3HE TRP 25 9.322 -0.733 6.824 179 HZ2 TRP 25 2HZ TRP 25 6.033 -2.461 10.135 180 HZ3 TRP 25 3HZ TRP 25 9.947 -0.934 9.206 181 HH2 TRP 25 HH TRP 25 8.319 -1.821 10.865 182 H ALA 26 H ALA 26 9.493 -2.816 5.042 183 HA ALA 26 HA ALA 26 8.715 -5.092 6.514 184 1HB ALA 26 1HB ALA 26 10.587 -6.571 5.862 185 2HB ALA 26 2HB ALA 26 9.537 -6.296 4.476 186 3HB ALA 26 3HB ALA 26 11.076 -5.414 4.594 187 H ALA 27 H ALA 27 10.618 -5.563 8.082 188 HA ALA 27 HA ALA 27 11.406 -3.081 9.186 189 1HB ALA 27 1HB ALA 27 10.994 -5.109 10.514 190 2HB ALA 27 2HB ALA 27 12.452 -5.867 9.826 191 3HB ALA 27 3HB ALA 27 12.589 -4.425 10.858 192 H TRP 28 H TRP 28 13.016 -4.811 6.659 193 HA TRP 28 HA TRP 28 15.663 -3.744 7.464 194 1HB TRP 28 1HB TRP 28 16.573 -5.652 6.862 195 2HB TRP 28 2HB TRP 28 14.963 -6.294 7.058 196 HD1 TRP 28 HD TRP 28 17.629 -5.478 4.541 197 HE1 TRP 28 1HE TRP 28 17.077 -6.379 2.214 198 HE3 TRP 28 3HE TRP 28 12.852 -7.153 5.411 199 HZ2 TRP 28 2HZ TRP 28 14.771 -7.394 0.823 200 HZ3 TRP 28 3HZ TRP 28 11.454 -7.987 3.489 201 HH2 TRP 28 HH TRP 28 12.426 -8.032 1.217 202 H CYS 29 H CYS 29 13.370 -3.382 4.862 203 HA CYS 29 HA CYS 29 15.071 -3.295 2.662 204 1HB CYS 29 1HB CYS 29 12.972 -2.415 1.523 205 2HB CYS 29 2HB CYS 29 12.981 -3.976 2.298 206 H GLY 30 H GLY 30 16.102 -1.241 4.474 207 1HA GLY 30 1HA GLY 30 16.978 0.889 4.463 208 2HA GLY 30 2HA GLY 30 17.123 0.565 2.744 209 HA PRO 31 HA PRO 31 14.781 4.414 2.427 210 1HB PRO 31 1HB PRO 31 13.877 4.222 -0.195 211 2HB PRO 31 2HB PRO 31 15.525 4.731 0.299 212 1HG PRO 31 1HG PRO 31 14.590 1.984 -0.565 213 2HG PRO 31 2HG PRO 31 16.048 2.883 -1.103 214 1HD PRO 31 1HD PRO 31 16.257 0.997 0.794 215 2HD PRO 31 2HD PRO 31 17.128 2.548 0.995 216 H CYS 32 H CYS 32 13.220 1.313 1.979 217 HA CYS 32 HA CYS 32 10.527 2.267 1.932 218 1HB CYS 32 1HB CYS 32 9.861 0.197 2.890 219 2HB CYS 32 2HB CYS 32 11.170 -0.134 1.757 220 H ARG 33 H ARG 33 12.934 2.319 4.548 221 HA ARG 33 HA ARG 33 11.047 3.014 6.621 222 1HB ARG 33 1HB ARG 33 13.574 2.057 6.642 223 2HB ARG 33 2HB ARG 33 13.947 3.778 6.808 224 1HG ARG 33 1HG ARG 33 12.335 3.806 8.800 225 2HG ARG 33 2HG ARG 33 12.153 2.061 8.579 226 1HD ARG 33 1HD ARG 33 14.937 2.384 8.648 227 2HD ARG 33 2HD ARG 33 14.382 3.631 9.757 228 HE ARG 33 HE ARG 33 13.706 2.029 11.255 229 1HH1 ARG 33 2HH2 ARG 33 14.407 0.406 8.163 230 2HH1 ARG 33 1HH2 ARG 33 14.259 -1.203 8.834 231 1HH2 ARG 33 2HH1 ARG 33 13.578 -0.167 12.108 232 2HH2 ARG 33 1HH1 ARG 33 13.846 -1.499 11.026 233 H MET 34 H MET 34 12.089 4.835 3.940 234 HA MET 34 HA MET 34 11.557 7.400 5.298 235 1HB MET 34 1HB MET 34 12.908 6.771 2.638 236 2HB MET 34 2HB MET 34 12.611 8.395 3.266 237 1HG MET 34 1HG MET 34 13.991 7.772 5.286 238 2HG MET 34 2HG MET 34 14.430 6.277 4.451 239 1HE MET 34 1HE MET 34 14.725 7.338 1.377 240 2HE MET 34 2HE MET 34 16.459 7.714 1.339 241 3HE MET 34 3HE MET 34 15.900 6.241 2.151 242 H MET 35 H MET 35 10.552 5.184 2.804 243 HA MET 35 HA MET 35 8.550 6.852 1.560 244 1HB MET 35 1HB MET 35 9.835 4.925 0.488 245 2HB MET 35 2HB MET 35 8.966 3.818 1.553 246 1HG MET 35 1HG MET 35 8.005 3.865 -0.664 247 2HG MET 35 2HG MET 35 6.844 4.454 0.520 248 1HE MET 35 1HE MET 35 6.264 6.119 -3.057 249 2HE MET 35 2HE MET 35 6.869 4.504 -2.642 250 3HE MET 35 3HE MET 35 5.472 5.165 -1.783 251 H ALA 36 H ALA 36 8.595 4.194 4.033 252 HA ALA 36 HA ALA 36 5.820 4.011 4.411 253 1HB ALA 36 1HB ALA 36 7.374 2.348 5.277 254 2HB ALA 36 2HB ALA 36 8.078 3.527 6.404 255 3HB ALA 36 3HB ALA 36 6.390 3.005 6.597 256 HA PRO 37 HA PRO 37 5.929 7.482 7.679 257 1HB PRO 37 1HB PRO 37 7.873 9.434 7.528 258 2HB PRO 37 2HB PRO 37 7.819 8.075 8.693 259 1HG PRO 37 1HG PRO 37 9.337 8.279 6.109 260 2HG PRO 37 2HG PRO 37 9.893 7.611 7.662 261 1HD PRO 37 1HD PRO 37 9.072 5.971 5.666 262 2HD PRO 37 2HD PRO 37 8.683 5.607 7.366 263 H VAL 38 H VAL 38 7.274 8.148 4.345 264 HA VAL 38 HA VAL 38 5.606 10.515 4.114 265 HB VAL 38 HB VAL 38 7.640 9.319 2.558 266 1HG1 VAL 38 1HG1 VAL 38 6.096 8.227 1.076 267 2HG1 VAL 38 2HG1 VAL 38 5.184 9.733 0.820 268 3HG1 VAL 38 3HG1 VAL 38 6.859 9.576 0.250 269 1HG2 VAL 38 1HG2 VAL 38 6.020 11.861 2.142 270 2HG2 VAL 38 2HG2 VAL 38 7.442 11.678 3.187 271 3HG2 VAL 38 3HG2 VAL 38 7.613 11.518 1.431 272 H LEU 39 H LEU 39 5.019 7.073 3.477 273 HA LEU 39 HA LEU 39 2.368 7.447 2.473 274 1HB LEU 39 1HB LEU 39 4.142 5.168 3.291 275 2HB LEU 39 2HB LEU 39 2.424 4.890 3.213 276 HG LEU 39 HG LEU 39 2.269 5.278 0.918 277 1HD1 LEU 39 1HD1 LEU 39 3.925 6.207 -0.556 278 2HD1 LEU 39 2HD1 LEU 39 3.652 7.378 0.714 279 3HD1 LEU 39 3HD1 LEU 39 5.097 6.339 0.757 280 1HD2 LEU 39 1HD2 LEU 39 4.950 3.911 1.411 281 2HD2 LEU 39 2HD2 LEU 39 3.382 3.141 1.244 282 3HD2 LEU 39 3HD2 LEU 39 4.102 3.894 -0.162 283 H GLU 40 H GLU 40 3.717 7.248 5.731 284 HA GLU 40 HA GLU 40 1.247 6.883 7.125 285 1HB GLU 40 1HB GLU 40 3.946 7.310 7.807 286 2HB GLU 40 2HB GLU 40 3.151 8.729 8.442 287 1HG GLU 40 1HG GLU 40 2.923 7.386 10.250 288 2HG GLU 40 2HG GLU 40 1.460 6.879 9.413 289 H GLU 41 H GLU 41 2.996 9.801 5.989 290 HA GLU 41 HA GLU 41 1.017 11.719 6.791 291 1HB GLU 41 1HB GLU 41 3.331 12.322 5.974 292 2HB GLU 41 2HB GLU 41 2.830 11.862 4.345 293 1HG GLU 41 1HG GLU 41 0.874 13.598 4.726 294 2HG GLU 41 2HG GLU 41 1.906 14.210 6.017 295 H PHE 42 H PHE 42 1.471 9.919 3.709 296 HA PHE 42 HA PHE 42 -0.789 10.851 2.338 297 1HB PHE 42 1HB PHE 42 1.002 9.302 1.425 298 2HB PHE 42 2HB PHE 42 0.239 7.969 2.256 299 HD1 PHE 42 1HD PHE 42 0.189 10.012 -0.691 300 HD2 PHE 42 2HD PHE 42 -2.191 7.334 1.722 301 HE1 PHE 42 1HE PHE 42 -1.410 9.725 -2.546 302 HE2 PHE 42 2HE PHE 42 -3.799 7.098 -0.125 303 HZ PHE 42 HZ PHE 42 -3.384 8.350 -2.290 304 H ALA 43 H ALA 43 -0.594 8.062 4.581 305 HA ALA 43 HA ALA 43 -3.292 7.354 4.362 306 1HB ALA 43 1HB ALA 43 -2.843 5.902 6.275 307 2HB ALA 43 2HB ALA 43 -1.410 5.909 5.217 308 3HB ALA 43 3HB ALA 43 -1.405 6.846 6.720 309 H GLU 44 H GLU 44 -1.643 9.294 6.904 310 HA GLU 44 HA GLU 44 -3.894 9.710 8.545 311 1HB GLU 44 1HB GLU 44 -1.591 10.172 9.188 312 2HB GLU 44 2HB GLU 44 -1.517 11.571 8.122 313 1HG GLU 44 1HG GLU 44 -3.808 11.434 10.096 314 2HG GLU 44 2HG GLU 44 -2.205 11.608 10.769 315 H ALA 45 H ALA 45 -2.677 11.707 5.836 316 HA ALA 45 HA ALA 45 -4.686 13.677 5.983 317 1HB ALA 45 1HB ALA 45 -2.582 13.980 4.753 318 2HB ALA 45 2HB ALA 45 -3.045 12.709 3.596 319 3HB ALA 45 3HB ALA 45 -3.953 14.235 3.656 320 H HIS 46 H HIS 46 -5.081 10.429 4.868 321 HA HIS 46 HA HIS 46 -7.571 11.144 3.378 322 1HB HIS 46 1HB HIS 46 -5.381 9.439 2.405 323 2HB HIS 46 2HB HIS 46 -6.970 9.514 1.661 324 HD1 HIS 46 1HD HIS 46 -6.586 12.943 2.405 325 HD2 HIS 46 2HD HIS 46 -4.704 10.208 -0.182 326 HE1 HIS 46 1HE HIS 46 -5.719 14.339 0.402 327 HE2 HIS 46 2HE HIS 46 -4.544 12.808 -1.128 328 H ALA 47 H ALA 47 -6.730 9.612 6.041 329 HA ALA 47 HA ALA 47 -7.266 7.036 6.101 330 1HB ALA 47 1HB ALA 47 -8.480 9.079 8.011 331 2HB ALA 47 2HB ALA 47 -8.128 7.373 8.377 332 3HB ALA 47 3HB ALA 47 -6.798 8.502 8.041 333 H ASP 48 H ASP 48 -10.025 9.389 6.102 334 HA ASP 48 HA ASP 48 -11.964 7.289 5.872 335 1HB ASP 48 1HB ASP 48 -12.307 10.290 5.453 336 2HB ASP 48 2HB ASP 48 -13.582 9.129 5.823 337 H LYS 49 H LYS 49 -10.068 8.760 3.450 338 HA LYS 49 HA LYS 49 -12.205 8.521 1.384 339 1HB LYS 49 1HB LYS 49 -10.805 10.612 1.580 340 2HB LYS 49 2HB LYS 49 -9.396 9.663 1.089 341 1HG LYS 49 1HG LYS 49 -10.364 9.169 -1.059 342 2HG LYS 49 2HG LYS 49 -11.940 9.813 -0.600 343 1HD LYS 49 1HD LYS 49 -9.562 11.687 -0.543 344 2HD LYS 49 2HD LYS 49 -10.190 11.145 -2.092 345 1HE LYS 49 1HE LYS 49 -11.202 13.231 -1.612 346 2HE LYS 49 2HE LYS 49 -12.416 11.951 -1.613 347 1HZ LYS 49 1HZ LYS 49 -12.318 11.953 0.804 348 2HZ LYS 49 2HZ LYS 49 -11.215 13.181 0.789 349 3HZ LYS 49 3HZ LYS 49 -12.741 13.435 0.226 350 H VAL 50 H VAL 50 -9.391 6.824 2.624 351 HA VAL 50 HA VAL 50 -9.851 4.763 0.597 352 HB VAL 50 HB VAL 50 -8.352 6.010 -0.639 353 1HG1 VAL 50 1HG1 VAL 50 -6.074 6.696 0.118 354 2HG1 VAL 50 2HG1 VAL 50 -7.373 7.503 0.992 355 3HG1 VAL 50 3HG1 VAL 50 -6.489 6.176 1.770 356 1HG2 VAL 50 1HG2 VAL 50 -6.589 3.872 0.564 357 2HG2 VAL 50 2HG2 VAL 50 -7.906 3.571 -0.604 358 3HG2 VAL 50 3HG2 VAL 50 -6.532 4.575 -1.070 359 H THR 51 H THR 51 -9.442 2.836 1.250 360 HA THR 51 HA THR 51 -9.252 2.370 4.058 361 HB THR 51 HB THR 51 -9.399 0.366 1.873 362 HG1 THR 51 1HG THR 51 -10.973 1.580 1.328 363 1HG2 THR 51 1HG2 THR 51 -10.756 -0.986 3.362 364 2HG2 THR 51 2HG2 THR 51 -9.117 -0.737 3.950 365 3HG2 THR 51 3HG2 THR 51 -10.495 0.193 4.658 366 H VAL 52 H VAL 52 -6.972 2.960 4.637 367 HA VAL 52 HA VAL 52 -4.838 1.810 3.000 368 HB VAL 52 HB VAL 52 -4.692 3.369 5.547 369 1HG1 VAL 52 1HG1 VAL 52 -2.571 2.623 3.526 370 2HG1 VAL 52 2HG1 VAL 52 -2.358 3.956 4.658 371 3HG1 VAL 52 3HG1 VAL 52 -2.574 2.332 5.274 372 1HG2 VAL 52 1HG2 VAL 52 -5.762 4.802 3.894 373 2HG2 VAL 52 2HG2 VAL 52 -4.093 5.318 4.037 374 3HG2 VAL 52 3HG2 VAL 52 -4.583 4.328 2.652 375 H ALA 53 H ALA 53 -3.160 0.352 3.963 376 HA ALA 53 HA ALA 53 -3.441 -0.450 6.668 377 1HB ALA 53 1HB ALA 53 -5.094 -2.063 5.827 378 2HB ALA 53 2HB ALA 53 -4.008 -2.505 4.483 379 3HB ALA 53 3HB ALA 53 -3.556 -2.863 6.166 380 H LYS 54 H LYS 54 -1.520 -1.768 7.260 381 HA LYS 54 HA LYS 54 0.700 -1.341 5.297 382 1HB LYS 54 1HB LYS 54 0.364 0.579 6.834 383 2HB LYS 54 2HB LYS 54 0.439 -0.496 8.236 384 1HG LYS 54 1HG LYS 54 2.812 -0.994 7.765 385 2HG LYS 54 2HG LYS 54 2.745 0.043 6.326 386 1HD LYS 54 1HD LYS 54 1.961 1.928 7.880 387 2HD LYS 54 2HD LYS 54 2.401 0.861 9.222 388 1HE LYS 54 1HE LYS 54 4.748 0.754 8.204 389 2HE LYS 54 2HE LYS 54 4.208 1.966 7.014 390 1HZ LYS 54 1HZ LYS 54 5.104 3.252 8.778 391 2HZ LYS 54 2HZ LYS 54 3.533 3.340 8.990 392 3HZ LYS 54 3HZ LYS 54 4.384 2.322 9.945 393 H LEU 55 H LEU 55 2.138 -3.130 5.180 394 HA LEU 55 HA LEU 55 2.252 -4.896 7.518 395 1HB LEU 55 1HB LEU 55 1.679 -6.903 6.118 396 2HB LEU 55 2HB LEU 55 0.394 -5.863 6.625 397 HG LEU 55 HG LEU 55 0.084 -6.795 4.423 398 1HD1 LEU 55 1HD1 LEU 55 -0.763 -4.370 5.092 399 2HD1 LEU 55 2HD1 LEU 55 0.313 -3.865 3.806 400 3HD1 LEU 55 3HD1 LEU 55 -0.991 -5.031 3.473 401 1HD2 LEU 55 1HD2 LEU 55 1.282 -6.124 2.492 402 2HD2 LEU 55 2HD2 LEU 55 2.316 -5.014 3.404 403 3HD2 LEU 55 3HD2 LEU 55 2.454 -6.771 3.653 404 H ASN 56 H ASN 56 3.757 -6.492 7.489 405 HA ASN 56 HA ASN 56 6.277 -5.682 6.227 406 1HB ASN 56 1HB ASN 56 6.338 -5.989 8.620 407 2HB ASN 56 2HB ASN 56 5.415 -7.493 8.534 408 1HD2 ASN 56 1HD2 ASN 56 6.885 -8.806 9.657 409 2HD2 ASN 56 2HD2 ASN 56 8.473 -9.177 8.969 410 H VAL 57 H VAL 57 6.464 -6.513 4.221 411 HA VAL 57 HA VAL 57 4.786 -8.457 3.190 412 HB VAL 57 HB VAL 57 6.009 -6.588 2.087 413 1HG1 VAL 57 1HG1 VAL 57 8.325 -7.082 2.680 414 2HG1 VAL 57 2HG1 VAL 57 8.252 -8.655 1.851 415 3HG1 VAL 57 3HG1 VAL 57 8.137 -7.181 0.911 416 1HG2 VAL 57 1HG2 VAL 57 4.648 -8.280 0.842 417 2HG2 VAL 57 2HG2 VAL 57 5.927 -7.477 -0.082 418 3HG2 VAL 57 3HG2 VAL 57 6.162 -9.138 0.496 419 H ASP 58 H ASP 58 7.842 -9.028 4.797 420 HA ASP 58 HA ASP 58 8.436 -11.646 3.718 421 1HB ASP 58 1HB ASP 58 10.095 -10.210 4.786 422 2HB ASP 58 2HB ASP 58 9.187 -10.247 6.292 423 H GLU 59 H GLU 59 6.688 -10.401 6.489 424 HA GLU 59 HA GLU 59 5.905 -12.970 7.648 425 1HB GLU 59 1HB GLU 59 6.571 -11.156 9.014 426 2HB GLU 59 2HB GLU 59 5.496 -10.039 8.170 427 1HG GLU 59 1HG GLU 59 3.537 -11.079 9.171 428 2HG GLU 59 2HG GLU 59 4.576 -12.240 10.020 429 H ASN 60 H ASN 60 4.667 -10.696 5.354 430 HA ASN 60 HA ASN 60 2.012 -12.057 5.285 431 1HB ASN 60 1HB ASN 60 1.655 -9.717 5.640 432 2HB ASN 60 2HB ASN 60 2.920 -9.276 4.499 433 1HD2 ASN 60 1HD2 ASN 60 -0.093 -11.310 4.277 434 2HD2 ASN 60 2HD2 ASN 60 -0.372 -10.807 2.573 435 HA PRO 61 HA PRO 61 4.063 -13.551 1.407 436 1HB PRO 61 1HB PRO 61 3.529 -16.215 1.671 437 2HB PRO 61 2HB PRO 61 4.951 -15.427 2.405 438 1HG PRO 61 1HG PRO 61 2.288 -16.116 3.704 439 2HG PRO 61 2HG PRO 61 3.938 -16.390 4.351 440 1HD PRO 61 1HD PRO 61 2.368 -14.242 5.062 441 2HD PRO 61 2HD PRO 61 4.148 -14.141 4.993 442 H GLU 62 H GLU 62 0.966 -13.797 2.958 443 HA GLU 62 HA GLU 62 -0.586 -14.988 0.888 444 1HB GLU 62 1HB GLU 62 -1.476 -15.024 3.054 445 2HB GLU 62 2HB GLU 62 -1.133 -13.326 3.348 446 1HG GLU 62 1HG GLU 62 -3.588 -14.045 3.013 447 2HG GLU 62 2HG GLU 62 -3.010 -12.566 2.243 448 H THR 63 H THR 63 -1.321 -14.186 -0.903 449 HA THR 63 HA THR 63 -1.629 -13.033 -2.750 450 HB THR 63 HB THR 63 -2.210 -10.848 -0.754 451 HG1 THR 63 1HG THR 63 -3.772 -12.555 -0.898 452 1HG2 THR 63 1HG2 THR 63 -3.276 -9.589 -2.620 453 2HG2 THR 63 2HG2 THR 63 -1.513 -9.645 -2.771 454 3HG2 THR 63 3HG2 THR 63 -2.539 -10.701 -3.782 455 H THR 64 H THR 64 0.756 -11.782 -0.653 456 HA THR 64 HA THR 64 2.440 -10.286 -2.308 457 HB THR 64 HB THR 64 2.944 -12.231 -0.064 458 HG1 THR 64 1HG THR 64 2.891 -10.544 1.155 459 1HG2 THR 64 1HG2 THR 64 5.119 -12.115 -1.197 460 2HG2 THR 64 2HG2 THR 64 5.056 -10.340 -1.103 461 3HG2 THR 64 3HG2 THR 64 5.132 -11.309 0.371 462 H SER 65 H SER 65 2.523 -13.850 -1.741 463 HA SER 65 HA SER 65 4.620 -14.349 -3.568 464 1HB SER 65 1HB SER 65 3.881 -15.880 -1.760 465 2HB SER 65 2HB SER 65 2.380 -16.206 -2.641 466 HG SER 65 HG SER 65 4.988 -16.682 -3.678 467 H GLN 66 H GLN 66 1.078 -14.292 -4.072 468 HA GLN 66 HA GLN 66 1.043 -15.373 -6.685 469 1HB GLN 66 1HB GLN 66 -0.910 -15.146 -5.173 470 2HB GLN 66 2HB GLN 66 -0.889 -13.394 -5.392 471 1HG GLN 66 1HG GLN 66 -1.381 -13.629 -7.773 472 2HG GLN 66 2HG GLN 66 -1.228 -15.387 -7.675 473 1HE2 GLN 66 1HE2 GLN 66 -3.158 -16.544 -7.303 474 2HE2 GLN 66 2HE2 GLN 66 -4.617 -15.756 -6.709 475 H PHE 67 H PHE 67 1.371 -11.934 -5.579 476 HA PHE 67 HA PHE 67 1.538 -11.135 -8.438 477 1HB PHE 67 1HB PHE 67 1.018 -9.615 -5.889 478 2HB PHE 67 2HB PHE 67 1.447 -8.804 -7.392 479 HD1 PHE 67 1HD PHE 67 -1.136 -10.879 -5.716 480 HD2 PHE 67 2HD PHE 67 -0.087 -8.667 -9.266 481 HE1 PHE 67 1HE PHE 67 -3.487 -10.994 -6.483 482 HE2 PHE 67 2HE PHE 67 -2.444 -8.788 -10.032 483 HZ PHE 67 HZ PHE 67 -4.148 -9.954 -8.643 484 H GLY 68 H GLY 68 3.814 -12.346 -6.420 485 1HA GLY 68 1HA GLY 68 6.106 -12.337 -6.605 486 2HA GLY 68 2HA GLY 68 5.933 -11.296 -8.030 487 H ILE 69 H ILE 69 4.766 -10.563 -4.777 488 HA ILE 69 HA ILE 69 5.731 -7.862 -4.989 489 HB ILE 69 HB ILE 69 4.289 -9.425 -2.859 490 1HG1 ILE 69 1HG1 ILE 69 2.918 -9.411 -4.778 491 2HG1 ILE 69 2HG1 ILE 69 2.246 -8.212 -3.685 492 1HG2 ILE 69 1HG2 ILE 69 3.901 -7.722 -1.552 493 2HG2 ILE 69 2HG2 ILE 69 5.359 -7.005 -2.234 494 3HG2 ILE 69 3HG2 ILE 69 3.765 -6.520 -2.831 495 1HD1 ILE 69 1HD1 ILE 69 3.846 -7.744 -6.229 496 2HD1 ILE 69 2HD1 ILE 69 2.212 -7.187 -5.821 497 3HD1 ILE 69 3HD1 ILE 69 3.633 -6.463 -5.032 498 H MET 70 H MET 70 7.983 -8.393 -5.168 499 HA MET 70 HA MET 70 9.335 -8.499 -2.495 500 1HB MET 70 1HB MET 70 10.363 -9.218 -5.273 501 2HB MET 70 2HB MET 70 11.277 -9.317 -3.765 502 1HG MET 70 1HG MET 70 9.667 -10.987 -2.885 503 2HG MET 70 2HG MET 70 8.740 -10.880 -4.378 504 1HE MET 70 1HE MET 70 12.853 -12.936 -3.923 505 2HE MET 70 2HE MET 70 12.699 -11.177 -3.727 506 3HE MET 70 3HE MET 70 11.875 -12.275 -2.593 507 H SER 71 H SER 71 8.374 -6.241 -4.722 508 HA SER 71 HA SER 71 10.911 -4.908 -5.184 509 1HB SER 71 1HB SER 71 9.176 -5.181 -6.947 510 2HB SER 71 2HB SER 71 8.067 -4.163 -5.998 511 HG SER 71 HG SER 71 9.794 -2.586 -6.058 512 H ILE 72 H ILE 72 9.825 -4.908 -2.399 513 HA ILE 72 HA ILE 72 8.576 -2.604 -1.728 514 HB ILE 72 HB ILE 72 9.315 -2.994 0.602 515 1HG1 ILE 72 1HG1 ILE 72 10.934 -5.271 -0.646 516 2HG1 ILE 72 2HG1 ILE 72 11.559 -3.862 0.215 517 1HG2 ILE 72 1HG2 ILE 72 7.929 -4.916 0.823 518 2HG2 ILE 72 2HG2 ILE 72 7.332 -4.021 -0.567 519 3HG2 ILE 72 3HG2 ILE 72 8.303 -5.484 -0.825 520 1HD1 ILE 72 1HD1 ILE 72 11.614 -5.550 1.814 521 2HD1 ILE 72 2HD1 ILE 72 10.107 -4.710 2.221 522 3HD1 ILE 72 3HD1 ILE 72 10.084 -6.239 1.310 523 HA PRO 73 HA PRO 73 8.449 -0.892 0.063 524 1HB PRO 73 1HB PRO 73 7.969 1.731 -0.499 525 2HB PRO 73 2HB PRO 73 9.016 1.184 0.833 526 1HG PRO 73 1HG PRO 73 9.812 2.087 -1.944 527 2HG PRO 73 2HG PRO 73 10.569 2.565 -0.397 528 1HD PRO 73 1HD PRO 73 11.609 0.618 -2.020 529 2HD PRO 73 2HD PRO 73 11.722 0.495 -0.247 530 H THR 74 H THR 74 6.462 -1.233 -0.775 531 HA THR 74 HA THR 74 5.844 -0.320 -3.532 532 HB THR 74 HB THR 74 5.701 -3.147 -2.422 533 HG1 THR 74 1HG THR 74 7.505 -1.897 -3.756 534 1HG2 THR 74 1HG2 THR 74 4.699 -3.856 -4.557 535 2HG2 THR 74 2HG2 THR 74 3.603 -2.817 -3.635 536 3HG2 THR 74 3HG2 THR 74 4.480 -2.159 -5.032 537 H LEU 75 H LEU 75 3.651 0.032 -3.903 538 HA LEU 75 HA LEU 75 1.769 -0.070 -1.630 539 1HB LEU 75 1HB LEU 75 2.809 2.160 -1.786 540 2HB LEU 75 2HB LEU 75 2.208 2.318 -3.417 541 HG LEU 75 HG LEU 75 0.197 1.511 -1.332 542 1HD1 LEU 75 1HD1 LEU 75 -0.145 3.900 -0.693 543 2HD1 LEU 75 2HD1 LEU 75 1.378 3.213 -0.133 544 3HD1 LEU 75 3HD1 LEU 75 1.369 4.307 -1.540 545 1HD2 LEU 75 1HD2 LEU 75 -1.303 2.921 -2.636 546 2HD2 LEU 75 2HD2 LEU 75 0.049 3.503 -3.638 547 3HD2 LEU 75 3HD2 LEU 75 -0.481 1.812 -3.724 548 H ILE 76 H ILE 76 -0.033 -1.156 -2.421 549 HA ILE 76 HA ILE 76 -0.570 -0.972 -5.350 550 HB ILE 76 HB ILE 76 -0.620 -3.506 -3.690 551 1HG1 ILE 76 1HG1 ILE 76 0.707 -3.299 -6.362 552 2HG1 ILE 76 2HG1 ILE 76 1.573 -2.495 -5.079 553 1HG2 ILE 76 1HG2 ILE 76 -1.551 -3.027 -6.563 554 2HG2 ILE 76 2HG2 ILE 76 -1.355 -4.620 -5.824 555 3HG2 ILE 76 3HG2 ILE 76 -2.575 -3.507 -5.192 556 1HD1 ILE 76 1HD1 ILE 76 0.734 -5.408 -4.985 557 2HD1 ILE 76 2HD1 ILE 76 2.242 -4.804 -5.714 558 3HD1 ILE 76 3HD1 ILE 76 1.961 -4.559 -3.995 559 H LEU 77 H LEU 77 -2.726 -1.011 -5.874 560 HA LEU 77 HA LEU 77 -4.508 -0.213 -3.628 561 1HB LEU 77 1HB LEU 77 -3.352 1.660 -4.842 562 2HB LEU 77 2HB LEU 77 -4.294 1.257 -6.284 563 HG LEU 77 HG LEU 77 -5.599 1.760 -3.604 564 1HD1 LEU 77 1HD1 LEU 77 -5.007 3.922 -5.610 565 2HD1 LEU 77 2HD1 LEU 77 -5.746 4.083 -3.984 566 3HD1 LEU 77 3HD1 LEU 77 -4.074 3.607 -4.124 567 1HD2 LEU 77 1HD2 LEU 77 -6.623 2.218 -6.442 568 2HD2 LEU 77 2HD2 LEU 77 -7.124 0.889 -5.372 569 3HD2 LEU 77 3HD2 LEU 77 -7.531 2.535 -4.938 570 H PHE 78 H PHE 78 -6.448 -1.104 -3.674 571 HA PHE 78 HA PHE 78 -7.178 -2.814 -5.979 572 1HB PHE 78 1HB PHE 78 -7.642 -3.275 -3.007 573 2HB PHE 78 2HB PHE 78 -8.155 -4.342 -4.296 574 HD1 PHE 78 1HD PHE 78 -6.769 -6.148 -4.954 575 HD2 PHE 78 2HD PHE 78 -5.082 -2.921 -2.637 576 HE1 PHE 78 1HE PHE 78 -4.699 -7.459 -4.627 577 HE2 PHE 78 2HE PHE 78 -3.014 -4.240 -2.331 578 HZ PHE 78 HZ PHE 78 -2.812 -6.510 -3.315 579 H LYS 79 H LYS 79 -9.355 -3.044 -6.454 580 HA LYS 79 HA LYS 79 -11.349 -2.248 -4.591 581 1HB LYS 79 1HB LYS 79 -12.723 -0.837 -5.960 582 2HB LYS 79 2HB LYS 79 -11.222 -0.043 -5.575 583 1HG LYS 79 1HG LYS 79 -11.988 -1.286 -8.258 584 2HG LYS 79 2HG LYS 79 -12.051 0.422 -7.851 585 1HD LYS 79 1HD LYS 79 -9.534 -1.263 -8.108 586 2HD LYS 79 2HD LYS 79 -10.104 -0.061 -9.242 587 1HE LYS 79 1HE LYS 79 -9.364 0.571 -6.345 588 2HE LYS 79 2HE LYS 79 -8.229 0.691 -7.682 589 1HZ LYS 79 1HZ LYS 79 -9.260 2.811 -7.161 590 2HZ LYS 79 2HZ LYS 79 -9.599 2.355 -8.700 591 3HZ LYS 79 3HZ LYS 79 -10.748 2.208 -7.528 592 H GLY 80 H GLY 80 -13.246 -3.441 -5.001 593 1HA GLY 80 1HA GLY 80 -14.487 -5.218 -5.844 594 2HA GLY 80 2HA GLY 80 -13.556 -5.173 -7.350 595 H GLY 81 H GLY 81 -11.871 -5.212 -4.251 596 1HA GLY 81 1HA GLY 81 -10.418 -6.745 -3.332 597 2HA GLY 81 2HA GLY 81 -11.279 -8.025 -4.190 598 H GLU 82 H GLU 82 -10.242 -5.746 -6.552 599 HA GLU 82 HA GLU 82 -7.941 -7.497 -7.198 600 1HB GLU 82 1HB GLU 82 -10.047 -7.816 -8.488 601 2HB GLU 82 2HB GLU 82 -9.948 -6.137 -9.037 602 1HG GLU 82 1HG GLU 82 -7.803 -6.633 -10.168 603 2HG GLU 82 2HG GLU 82 -7.836 -8.284 -9.526 604 HA PRO 83 HA PRO 83 -5.670 -3.697 -7.047 605 1HB PRO 83 1HB PRO 83 -3.310 -4.337 -8.222 606 2HB PRO 83 2HB PRO 83 -3.850 -5.010 -6.651 607 1HG PRO 83 1HG PRO 83 -4.072 -6.291 -9.387 608 2HG PRO 83 2HG PRO 83 -3.459 -7.011 -7.862 609 1HD PRO 83 1HD PRO 83 -6.012 -7.376 -8.739 610 2HD PRO 83 2HD PRO 83 -5.629 -7.262 -6.999 611 H VAL 84 H VAL 84 -5.904 -1.858 -8.168 612 HA VAL 84 HA VAL 84 -6.447 -1.889 -11.056 613 HB VAL 84 HB VAL 84 -7.425 -0.394 -9.115 614 1HG1 VAL 84 1HG1 VAL 84 -5.459 0.795 -8.394 615 2HG1 VAL 84 2HG1 VAL 84 -5.332 1.549 -10.007 616 3HG1 VAL 84 3HG1 VAL 84 -6.727 1.876 -8.984 617 1HG2 VAL 84 1HG2 VAL 84 -6.948 0.586 -11.938 618 2HG2 VAL 84 2HG2 VAL 84 -8.291 -0.428 -11.372 619 3HG2 VAL 84 3HG2 VAL 84 -8.169 1.258 -10.838 620 H LYS 85 H LYS 85 -3.906 -0.807 -8.829 621 HA LYS 85 HA LYS 85 -1.902 -0.792 -10.935 622 1HB LYS 85 1HB LYS 85 -1.431 1.452 -11.069 623 2HB LYS 85 2HB LYS 85 -3.187 1.481 -11.060 624 1HG LYS 85 1HG LYS 85 -3.166 2.159 -8.656 625 2HG LYS 85 2HG LYS 85 -1.402 2.046 -8.632 626 1HD LYS 85 1HD LYS 85 -1.700 4.301 -8.937 627 2HD LYS 85 2HD LYS 85 -1.380 3.721 -10.571 628 1HE LYS 85 1HE LYS 85 -3.958 3.585 -10.833 629 2HE LYS 85 2HE LYS 85 -4.048 4.470 -9.309 630 1HZ LYS 85 1HZ LYS 85 -2.857 6.290 -10.298 631 2HZ LYS 85 2HZ LYS 85 -2.569 5.506 -11.681 632 3HZ LYS 85 3HZ LYS 85 -4.129 5.985 -11.197 633 H GLN 86 H GLN 86 0.248 -0.118 -10.048 634 HA GLN 86 HA GLN 86 0.456 -0.243 -7.123 635 1HB GLN 86 1HB GLN 86 2.170 -1.851 -7.244 636 2HB GLN 86 2HB GLN 86 0.794 -2.472 -8.204 637 1HG GLN 86 1HG GLN 86 3.270 -1.264 -9.355 638 2HG GLN 86 2HG GLN 86 3.039 -2.982 -9.065 639 1HE2 GLN 86 1HE2 GLN 86 1.963 -4.237 -10.647 640 2HE2 GLN 86 2HE2 GLN 86 1.138 -3.505 -12.016 641 H LEU 87 H LEU 87 2.377 0.658 -6.297 642 HA LEU 87 HA LEU 87 4.058 2.369 -8.049 643 1HB LEU 87 1HB LEU 87 2.922 2.843 -5.264 644 2HB LEU 87 2HB LEU 87 4.365 3.653 -5.804 645 HG LEU 87 HG LEU 87 2.539 5.139 -5.934 646 1HD1 LEU 87 1HD1 LEU 87 3.130 4.369 -8.800 647 2HD1 LEU 87 2HD1 LEU 87 2.889 5.991 -8.078 648 3HD1 LEU 87 3HD1 LEU 87 4.351 5.074 -7.718 649 1HD2 LEU 87 1HD2 LEU 87 0.586 4.930 -7.302 650 2HD2 LEU 87 2HD2 LEU 87 1.091 3.356 -7.922 651 3HD2 LEU 87 3HD2 LEU 87 0.653 3.532 -6.208 652 H ILE 88 H ILE 88 6.286 2.216 -7.482 653 HA ILE 88 HA ILE 88 7.085 0.332 -5.376 654 HB ILE 88 HB ILE 88 8.655 -0.760 -6.938 655 1HG1 ILE 88 1HG1 ILE 88 7.074 0.540 -9.210 656 2HG1 ILE 88 2HG1 ILE 88 8.705 1.009 -8.714 657 1HG2 ILE 88 1HG2 ILE 88 7.082 -2.343 -7.859 658 2HG2 ILE 88 2HG2 ILE 88 6.437 -1.763 -6.331 659 3HG2 ILE 88 3HG2 ILE 88 5.772 -1.142 -7.851 660 1HD1 ILE 88 1HD1 ILE 88 7.887 -1.672 -9.888 661 2HD1 ILE 88 2HD1 ILE 88 8.887 -0.417 -10.630 662 3HD1 ILE 88 3HD1 ILE 88 9.501 -1.312 -9.225 663 H GLY 89 H GLY 89 9.232 0.656 -4.687 664 1HA GLY 89 1HA GLY 89 11.192 1.802 -4.304 665 2HA GLY 89 2HA GLY 89 10.988 2.687 -5.829 666 H TYR 90 H TYR 90 11.885 4.332 -4.017 667 HA TYR 90 HA TYR 90 9.817 5.530 -2.350 668 1HB TYR 90 1HB TYR 90 12.217 5.662 -1.769 669 2HB TYR 90 2HB TYR 90 12.493 6.624 -3.218 670 HD1 TYR 90 1HD TYR 90 11.386 8.929 -3.426 671 HD2 TYR 90 2HD TYR 90 11.385 6.660 0.251 672 HE1 TYR 90 1HE TYR 90 10.715 10.956 -2.168 673 HE2 TYR 90 2HE TYR 90 10.723 8.688 1.498 674 HH TYR 90 HH TYR 90 10.139 10.914 1.364 675 H GLN 91 H GLN 91 8.225 6.952 -3.117 676 HA GLN 91 HA GLN 91 8.875 8.660 -5.398 677 1HB GLN 91 1HB GLN 91 6.050 7.695 -4.794 678 2HB GLN 91 2HB GLN 91 6.646 8.571 -6.160 679 1HG GLN 91 1HG GLN 91 7.273 5.649 -5.599 680 2HG GLN 91 2HG GLN 91 6.113 6.270 -6.771 681 1HE2 GLN 91 1HE2 GLN 91 8.613 4.553 -7.226 682 2HE2 GLN 91 2HE2 GLN 91 9.543 5.552 -8.341 683 HA PRO 92 HA PRO 92 7.999 11.342 -1.883 684 1HB PRO 92 1HB PRO 92 7.608 13.776 -3.128 685 2HB PRO 92 2HB PRO 92 9.223 13.039 -2.889 686 1HG PRO 92 1HG PRO 92 7.456 12.937 -5.342 687 2HG PRO 92 2HG PRO 92 9.207 13.310 -5.263 688 1HD PRO 92 1HD PRO 92 8.316 10.819 -5.918 689 2HD PRO 92 2HD PRO 92 9.767 11.033 -4.890 690 H LYS 93 H LYS 93 6.198 12.481 -0.973 691 HA LYS 93 HA LYS 93 3.714 11.391 -1.290 692 1HB LYS 93 1HB LYS 93 4.963 13.540 0.183 693 2HB LYS 93 2HB LYS 93 3.453 14.170 -0.400 694 1HG LYS 93 1HG LYS 93 3.735 11.525 1.088 695 2HG LYS 93 2HG LYS 93 3.305 13.040 1.848 696 1HD LYS 93 1HD LYS 93 1.685 11.607 -0.302 697 2HD LYS 93 2HD LYS 93 1.414 11.549 1.428 698 1HE LYS 93 1HE LYS 93 -0.204 13.025 0.713 699 2HE LYS 93 2HE LYS 93 1.048 14.078 1.369 700 1HZ LYS 93 1HZ LYS 93 1.454 14.915 -0.656 701 2HZ LYS 93 2HZ LYS 93 1.175 13.498 -1.489 702 3HZ LYS 93 3HZ LYS 93 -0.092 14.423 -0.987 703 H GLU 94 H GLU 94 4.959 14.244 -2.862 704 HA GLU 94 HA GLU 94 2.664 15.218 -4.204 705 1HB GLU 94 1HB GLU 94 5.560 15.167 -5.138 706 2HB GLU 94 2HB GLU 94 4.293 16.214 -5.787 707 1HG GLU 94 1HG GLU 94 4.154 17.487 -3.765 708 2HG GLU 94 2HG GLU 94 5.103 16.312 -2.851 709 H GLN 95 H GLN 95 4.973 12.585 -5.225 710 HA GLN 95 HA GLN 95 3.864 12.427 -7.914 711 1HB GLN 95 1HB GLN 95 6.300 12.061 -7.111 712 2HB GLN 95 2HB GLN 95 5.774 10.570 -6.416 713 1HG GLN 95 1HG GLN 95 6.740 10.086 -8.590 714 2HG GLN 95 2HG GLN 95 5.012 9.756 -8.653 715 1HE2 GLN 95 1HE2 GLN 95 7.521 12.209 -9.561 716 2HE2 GLN 95 2HE2 GLN 95 6.543 12.880 -10.861 717 H LEU 96 H LEU 96 3.874 10.818 -4.830 718 HA LEU 96 HA LEU 96 2.407 8.467 -5.407 719 1HB LEU 96 1HB LEU 96 3.575 9.435 -3.191 720 2HB LEU 96 2HB LEU 96 1.942 9.920 -2.855 721 HG LEU 96 HG LEU 96 2.161 7.883 -1.753 722 1HD1 LEU 96 1HD1 LEU 96 0.079 7.990 -3.177 723 2HD1 LEU 96 2HD1 LEU 96 0.886 6.960 -4.365 724 3HD1 LEU 96 3HD1 LEU 96 0.591 6.365 -2.718 725 1HD2 LEU 96 1HD2 LEU 96 4.246 7.171 -2.793 726 2HD2 LEU 96 2HD2 LEU 96 3.075 5.838 -2.712 727 3HD2 LEU 96 3HD2 LEU 96 3.377 6.660 -4.259 728 H GLU 97 H GLU 97 1.168 11.594 -4.012 729 HA GLU 97 HA GLU 97 -1.558 10.801 -4.401 730 1HB GLU 97 1HB GLU 97 -0.183 12.941 -3.139 731 2HB GLU 97 2HB GLU 97 -1.255 13.695 -4.332 732 1HG GLU 97 1HG GLU 97 -3.085 12.219 -3.292 733 2HG GLU 97 2HG GLU 97 -1.908 11.859 -2.015 734 H ALA 98 H ALA 98 0.768 12.464 -6.510 735 HA ALA 98 HA ALA 98 -1.315 13.290 -8.373 736 1HB ALA 98 1HB ALA 98 0.510 13.670 -9.979 737 2HB ALA 98 2HB ALA 98 0.949 14.341 -8.399 738 3HB ALA 98 3HB ALA 98 1.655 12.798 -8.939 739 H GLN 99 H GLN 99 0.810 10.373 -8.229 740 HA GLN 99 HA GLN 99 -0.395 9.199 -10.563 741 1HB GLN 99 1HB GLN 99 1.781 8.532 -9.524 742 2HB GLN 99 2HB GLN 99 0.927 7.856 -8.160 743 1HG GLN 99 1HG GLN 99 1.681 6.178 -9.897 744 2HG GLN 99 2HG GLN 99 -0.009 6.092 -9.416 745 1HE2 GLN 99 1HE2 GLN 99 1.834 8.036 -11.916 746 2HE2 GLN 99 2HE2 GLN 99 0.783 7.517 -13.223 747 H LEU 100 H LEU 100 -1.186 9.044 -7.125 748 HA LEU 100 HA LEU 100 -3.298 7.057 -7.550 749 1HB LEU 100 1HB LEU 100 -1.616 7.780 -5.430 750 2HB LEU 100 2HB LEU 100 -3.178 8.291 -4.901 751 HG LEU 100 HG LEU 100 -3.952 5.896 -5.456 752 1HD1 LEU 100 1HD1 LEU 100 -1.979 5.384 -6.971 753 2HD1 LEU 100 2HD1 LEU 100 -0.935 5.428 -5.541 754 3HD1 LEU 100 3HD1 LEU 100 -2.197 4.186 -5.689 755 1HD2 LEU 100 1HD2 LEU 100 -3.644 6.274 -3.149 756 2HD2 LEU 100 2HD2 LEU 100 -2.519 4.945 -3.425 757 3HD2 LEU 100 3HD2 LEU 100 -1.898 6.582 -3.327 758 H ALA 101 H ALA 101 -3.341 10.435 -7.884 759 HA ALA 101 HA ALA 101 -5.574 11.382 -6.794 760 1HB ALA 101 1HB ALA 101 -5.715 12.928 -8.732 761 2HB ALA 101 2HB ALA 101 -4.051 12.716 -8.172 762 3HB ALA 101 3HB ALA 101 -4.603 11.880 -9.639 763 H ASP 102 H ASP 102 -5.720 9.107 -9.609 764 HA ASP 102 HA ASP 102 -8.454 9.755 -10.222 765 1HB ASP 102 1HB ASP 102 -8.459 7.637 -11.512 766 2HB ASP 102 2HB ASP 102 -7.073 8.654 -11.888 767 H VAL 103 H VAL 103 -7.257 8.157 -7.446 768 HA VAL 103 HA VAL 103 -10.131 7.466 -6.939 769 HB VAL 103 HB VAL 103 -8.388 5.537 -7.079 770 1HG1 VAL 103 1HG1 VAL 103 -7.982 6.291 -4.183 771 2HG1 VAL 103 2HG1 VAL 103 -7.506 4.796 -4.988 772 3HG1 VAL 103 3HG1 VAL 103 -6.760 6.316 -5.493 773 1HG2 VAL 103 1HG2 VAL 103 -10.729 5.198 -6.625 774 2HG2 VAL 103 2HG2 VAL 103 -9.754 4.198 -5.529 775 3HG2 VAL 103 3HG2 VAL 103 -10.508 5.694 -4.938 776 H LEU 104 H LEU 104 -7.925 9.833 -6.280 777 HA LEU 104 HA LEU 104 -9.016 10.278 -3.575 778 1HB LEU 104 1HB LEU 104 -6.384 10.871 -4.935 779 2HB LEU 104 2HB LEU 104 -6.920 11.894 -3.682 780 HG LEU 104 HG LEU 104 -5.548 10.420 -2.532 781 1HD1 LEU 104 1HD1 LEU 104 -7.772 10.238 -1.406 782 2HD1 LEU 104 2HD1 LEU 104 -8.070 8.733 -2.327 783 3HD1 LEU 104 3HD1 LEU 104 -6.721 8.822 -1.186 784 1HD2 LEU 104 1HD2 LEU 104 -6.586 8.193 -4.290 785 2HD2 LEU 104 2HD2 LEU 104 -5.024 8.998 -4.346 786 3HD2 LEU 104 3HD2 LEU 104 -5.440 7.952 -2.966 787 H GLN 105 H GLN 105 -9.115 11.336 -6.807 788 HA GLN 105 HA GLN 105 -10.066 14.011 -6.563 789 1HB GLN 105 2HB GLN 105 -9.230 12.955 -8.641 790 2HB GLN 105 3HB GLN 105 -10.556 11.803 -8.559 791 1HG GLN 105 2HG GLN 105 -12.197 13.628 -8.885 792 2HG GLN 105 3HG GLN 105 -10.890 14.823 -8.850 793 1HE2 GLN 105 1HE2 GLN 105 -11.607 11.701 -10.583 794 2HE2 GLN 105 2HE2 GLN 105 -11.121 12.338 -12.157 Start of MODEL 10 1 1H ALA 1 H ALA 1 -11.778 5.323 6.536 2 2H ALA 1 2HN ALA 1 -10.244 5.897 6.553 3 3H ALA 1 3HN ALA 1 -10.598 4.694 5.516 4 HA ALA 1 HA ALA 1 -10.669 4.533 8.447 5 1HB ALA 1 1HB ALA 1 -12.219 2.937 7.365 6 2HB ALA 1 2HB ALA 1 -10.891 2.321 6.354 7 3HB ALA 1 3HB ALA 1 -10.855 2.087 8.116 8 H THR 2 H THR 2 -8.830 3.141 9.368 9 HA THR 2 HA THR 2 -6.741 2.541 7.517 10 HB THR 2 HB THR 2 -6.230 4.459 9.817 11 HG1 THR 2 1HG THR 2 -6.816 4.823 7.317 12 1HG2 THR 2 1HG2 THR 2 -4.222 2.954 8.074 13 2HG2 THR 2 2HG2 THR 2 -3.826 4.382 9.050 14 3HG2 THR 2 3HG2 THR 2 -4.363 2.893 9.839 15 H MET 3 H MET 3 -5.428 0.826 8.315 16 HA MET 3 HA MET 3 -6.082 -0.325 10.928 17 1HB MET 3 1HB MET 3 -7.403 -1.164 8.535 18 2HB MET 3 2HB MET 3 -6.195 -2.403 8.840 19 1HG MET 3 1HG MET 3 -8.237 -1.366 10.851 20 2HG MET 3 2HG MET 3 -8.405 -2.842 9.901 21 1HE MET 3 1HE MET 3 -8.983 -4.108 12.169 22 2HE MET 3 2HE MET 3 -7.914 -4.117 13.591 23 3HE MET 3 3HE MET 3 -8.717 -2.609 13.095 24 H THR 4 H THR 4 -4.764 -2.636 10.871 25 HA THR 4 HA THR 4 -2.118 -2.233 9.581 26 HB THR 4 HB THR 4 -2.712 -3.754 12.123 27 HG1 THR 4 1HG THR 4 -2.685 -1.398 12.137 28 1HG2 THR 4 1HG2 THR 4 -0.836 -4.782 10.887 29 2HG2 THR 4 2HG2 THR 4 -0.065 -3.189 10.705 30 3HG2 THR 4 3HG2 THR 4 -0.234 -3.924 12.312 31 H LEU 5 H LEU 5 -1.438 -4.093 8.389 32 HA LEU 5 HA LEU 5 -3.605 -6.083 7.890 33 1HB LEU 5 1HB LEU 5 -2.158 -4.288 6.078 34 2HB LEU 5 2HB LEU 5 -1.810 -5.966 5.691 35 HG LEU 5 HG LEU 5 -4.083 -6.517 5.436 36 1HD1 LEU 5 1HD1 LEU 5 -5.848 -4.585 5.399 37 2HD1 LEU 5 2HD1 LEU 5 -5.450 -5.405 6.896 38 3HD1 LEU 5 3HD1 LEU 5 -4.755 -3.824 6.573 39 1HD2 LEU 5 1HD2 LEU 5 -4.641 -5.131 3.450 40 2HD2 LEU 5 2HD2 LEU 5 -3.465 -3.911 3.975 41 3HD2 LEU 5 3HD2 LEU 5 -2.919 -5.525 3.502 42 H THR 6 H THR 6 -2.764 -8.244 7.153 43 HA THR 6 HA THR 6 -0.057 -8.837 7.875 44 HB THR 6 HB THR 6 -1.111 -8.770 10.067 45 HG1 THR 6 1HG THR 6 0.572 -10.094 9.772 46 1HG2 THR 6 1HG2 THR 6 -3.449 -9.385 9.537 47 2HG2 THR 6 2HG2 THR 6 -2.938 -11.072 9.278 48 3HG2 THR 6 3HG2 THR 6 -2.748 -10.323 10.862 49 H ASP 7 H ASP 7 -1.523 -11.738 8.078 50 HA ASP 7 HA ASP 7 -1.788 -12.079 5.141 51 1HB ASP 7 1HB ASP 7 -1.875 -14.424 5.483 52 2HB ASP 7 2HB ASP 7 -0.512 -13.796 6.400 53 H ALA 8 H ALA 8 -3.896 -13.122 7.848 54 HA ALA 8 HA ALA 8 -6.125 -13.523 6.222 55 1HB ALA 8 1HB ALA 8 -7.440 -13.430 8.321 56 2HB ALA 8 2HB ALA 8 -5.912 -14.310 8.556 57 3HB ALA 8 3HB ALA 8 -6.079 -12.641 9.146 58 H ASN 9 H ASN 9 -5.119 -10.555 7.801 59 HA ASN 9 HA ASN 9 -7.637 -9.176 7.212 60 1HB ASN 9 1HB ASN 9 -6.113 -8.802 9.278 61 2HB ASN 9 2HB ASN 9 -5.163 -7.787 8.174 62 1HD2 ASN 9 1HD2 ASN 9 -5.718 -5.689 9.364 63 2HD2 ASN 9 2HD2 ASN 9 -7.401 -5.223 9.347 64 H PHE 10 H PHE 10 -4.748 -9.874 5.445 65 HA PHE 10 HA PHE 10 -4.782 -7.477 3.766 66 1HB PHE 10 1HB PHE 10 -2.829 -8.973 4.121 67 2HB PHE 10 2HB PHE 10 -3.634 -10.225 3.210 68 HD1 PHE 10 1HD PHE 10 -1.433 -7.451 3.098 69 HD2 PHE 10 2HD PHE 10 -4.236 -9.678 0.691 70 HE1 PHE 10 1HE PHE 10 -0.376 -6.603 1.086 71 HE2 PHE 10 2HE PHE 10 -3.223 -8.725 -1.344 72 HZ PHE 10 HZ PHE 10 -1.299 -7.177 -1.177 73 H GLN 11 H GLN 11 -5.589 -10.876 3.039 74 HA GLN 11 HA GLN 11 -7.079 -10.347 0.744 75 1HB GLN 11 1HB GLN 11 -6.191 -12.519 1.470 76 2HB GLN 11 2HB GLN 11 -7.428 -12.642 2.720 77 1HG GLN 11 1HG GLN 11 -8.376 -12.135 -0.094 78 2HG GLN 11 2HG GLN 11 -7.613 -13.688 0.211 79 1HE2 GLN 11 1HE2 GLN 11 -8.901 -15.337 1.049 80 2HE2 GLN 11 2HE2 GLN 11 -10.467 -15.031 1.797 81 H GLN 12 H GLN 12 -8.336 -10.662 4.139 82 HA GLN 12 HA GLN 12 -11.028 -10.195 3.329 83 1HB GLN 12 1HB GLN 12 -9.661 -9.930 6.045 84 2HB GLN 12 2HB GLN 12 -11.406 -9.813 5.796 85 1HG GLN 12 1HG GLN 12 -11.458 -12.102 4.849 86 2HG GLN 12 2HG GLN 12 -9.721 -12.262 5.099 87 1HE2 GLN 12 1HE2 GLN 12 -12.888 -12.054 6.755 88 2HE2 GLN 12 2HE2 GLN 12 -12.251 -12.623 8.294 89 H ALA 13 H ALA 13 -8.421 -7.803 3.883 90 HA ALA 13 HA ALA 13 -10.337 -5.627 3.853 91 1HB ALA 13 1HB ALA 13 -7.327 -5.644 3.434 92 2HB ALA 13 2HB ALA 13 -8.354 -4.198 3.531 93 3HB ALA 13 3HB ALA 13 -8.200 -5.267 4.936 94 H ILE 14 H ILE 14 -7.931 -6.989 1.513 95 HA ILE 14 HA ILE 14 -8.615 -5.141 -0.506 96 HB ILE 14 HB ILE 14 -7.315 -6.502 -2.044 97 1HG1 ILE 14 1HG1 ILE 14 -6.566 -8.500 0.008 98 2HG1 ILE 14 2HG1 ILE 14 -8.044 -8.780 -0.928 99 1HG2 ILE 14 1HG2 ILE 14 -5.996 -6.215 0.694 100 2HG2 ILE 14 2HG2 ILE 14 -5.149 -6.361 -0.850 101 3HG2 ILE 14 3HG2 ILE 14 -6.158 -4.950 -0.536 102 1HD1 ILE 14 1HD1 ILE 14 -5.282 -8.307 -2.114 103 2HD1 ILE 14 2HD1 ILE 14 -6.074 -9.882 -1.926 104 3HD1 ILE 14 3HD1 ILE 14 -6.759 -8.663 -3.018 105 H GLN 15 H GLN 15 -10.221 -8.087 0.264 106 HA GLN 15 HA GLN 15 -11.641 -8.454 -2.182 107 1HB GLN 15 1HB GLN 15 -13.134 -9.883 -0.901 108 2HB GLN 15 2HB GLN 15 -11.452 -10.168 -0.483 109 1HG GLN 15 1HG GLN 15 -12.605 -10.300 1.532 110 2HG GLN 15 2HG GLN 15 -11.773 -8.750 1.557 111 1HE2 GLN 15 1HE2 GLN 15 -13.081 -7.645 3.010 112 2HE2 GLN 15 2HE2 GLN 15 -14.802 -7.347 2.700 113 H GLY 16 H GLY 16 -12.045 -5.868 0.178 114 1HA GLY 16 1HA GLY 16 -14.891 -5.503 -0.345 115 2HA GLY 16 2HA GLY 16 -13.815 -4.472 0.619 116 H ASP 17 H ASP 17 -15.683 -3.364 -1.113 117 HA ASP 17 HA ASP 17 -14.299 -2.581 -3.578 118 1HB ASP 17 1HB ASP 17 -16.753 -3.086 -3.515 119 2HB ASP 17 2HB ASP 17 -16.980 -1.590 -2.591 120 H GLY 18 H GLY 18 -14.028 -1.453 -0.448 121 1HA GLY 18 1HA GLY 18 -13.922 1.408 -0.903 122 2HA GLY 18 2HA GLY 18 -13.138 0.519 0.419 123 HA PRO 19 HA PRO 19 -9.850 1.438 -2.965 124 1HB PRO 19 1HB PRO 19 -8.984 3.991 -2.085 125 2HB PRO 19 2HB PRO 19 -9.888 3.624 -3.560 126 1HG PRO 19 1HG PRO 19 -10.907 4.738 -1.012 127 2HG PRO 19 2HG PRO 19 -11.548 4.942 -2.654 128 1HD PRO 19 1HD PRO 19 -12.617 3.288 -0.670 129 2HD PRO 19 2HD PRO 19 -12.914 3.096 -2.424 130 H VAL 20 H VAL 20 -8.884 -0.215 -1.825 131 HA VAL 20 HA VAL 20 -7.973 0.226 0.941 132 HB VAL 20 HB VAL 20 -8.613 -2.118 -0.824 133 1HG1 VAL 20 1HG1 VAL 20 -6.437 -2.783 0.194 134 2HG1 VAL 20 2HG1 VAL 20 -6.996 -2.244 1.788 135 3HG1 VAL 20 3HG1 VAL 20 -7.751 -3.643 1.004 136 1HG2 VAL 20 1HG2 VAL 20 -9.367 -1.549 2.050 137 2HG2 VAL 20 2HG2 VAL 20 -10.327 -1.019 0.658 138 3HG2 VAL 20 3HG2 VAL 20 -10.078 -2.743 0.956 139 H LEU 21 H LEU 21 -5.956 0.849 1.310 140 HA LEU 21 HA LEU 21 -3.922 0.712 -0.893 141 1HB LEU 21 1HB LEU 21 -4.979 2.907 -0.325 142 2HB LEU 21 2HB LEU 21 -4.364 2.774 1.315 143 HG LEU 21 HG LEU 21 -2.666 2.896 -1.207 144 1HD1 LEU 21 1HD1 LEU 21 -2.206 5.212 -0.544 145 2HD1 LEU 21 2HD1 LEU 21 -3.945 4.970 -0.759 146 3HD1 LEU 21 3HD1 LEU 21 -3.260 5.036 0.879 147 1HD2 LEU 21 1HD2 LEU 21 -1.221 1.893 0.386 148 2HD2 LEU 21 2HD2 LEU 21 -0.856 3.602 0.553 149 3HD2 LEU 21 3HD2 LEU 21 -1.898 2.809 1.738 150 H VAL 22 H VAL 22 -2.279 -0.540 -0.507 151 HA VAL 22 HA VAL 22 -1.816 -1.637 2.211 152 HB VAL 22 HB VAL 22 -1.338 -2.611 -0.647 153 1HG1 VAL 22 1HG1 VAL 22 0.405 -3.507 0.951 154 2HG1 VAL 22 2HG1 VAL 22 -0.936 -4.242 1.866 155 3HG1 VAL 22 3HG1 VAL 22 -0.622 -4.692 0.166 156 1HG2 VAL 22 1HG2 VAL 22 -3.045 -4.348 -0.040 157 2HG2 VAL 22 2HG2 VAL 22 -3.322 -3.500 1.491 158 3HG2 VAL 22 3HG2 VAL 22 -3.706 -2.706 -0.047 159 H ASP 23 H ASP 23 -0.085 -0.551 3.226 160 HA ASP 23 HA ASP 23 2.322 0.175 1.638 161 1HB ASP 23 1HB ASP 23 1.698 1.547 3.613 162 2HB ASP 23 2HB ASP 23 1.856 0.187 4.625 163 H PHE 24 H PHE 24 3.271 -1.657 0.809 164 HA PHE 24 HA PHE 24 3.977 -3.900 2.622 165 1HB PHE 24 1HB PHE 24 4.637 -3.292 -0.279 166 2HB PHE 24 2HB PHE 24 5.316 -4.618 0.616 167 HD1 PHE 24 1HD PHE 24 2.662 -3.747 -1.562 168 HD2 PHE 24 2HD PHE 24 3.649 -6.220 1.832 169 HE1 PHE 24 1HE PHE 24 1.110 -5.484 -2.369 170 HE2 PHE 24 2HE PHE 24 2.122 -7.972 0.998 171 HZ PHE 24 HZ PHE 24 0.963 -7.689 -1.133 172 H TRP 25 H TRP 25 5.554 -3.451 4.007 173 HA TRP 25 HA TRP 25 8.043 -2.287 2.959 174 1HB TRP 25 1HB TRP 25 8.363 -0.830 4.810 175 2HB TRP 25 2HB TRP 25 6.758 -0.480 4.203 176 HD1 TRP 25 HD TRP 25 4.711 -1.749 5.675 177 HE1 TRP 25 1HE TRP 25 4.540 -2.248 8.175 178 HE3 TRP 25 3HE TRP 25 9.574 -0.876 6.993 179 HZ2 TRP 25 2HZ TRP 25 6.321 -2.285 10.487 180 HZ3 TRP 25 3HZ TRP 25 10.298 -1.088 9.349 181 HH2 TRP 25 HH TRP 25 8.686 -1.819 11.100 182 H ALA 26 H ALA 26 9.688 -2.752 5.147 183 HA ALA 26 HA ALA 26 8.918 -4.957 6.742 184 1HB ALA 26 1HB ALA 26 11.100 -5.427 4.652 185 2HB ALA 26 2HB ALA 26 10.790 -6.483 6.052 186 3HB ALA 26 3HB ALA 26 9.570 -6.315 4.794 187 H ALA 27 H ALA 27 10.772 -5.438 8.285 188 HA ALA 27 HA ALA 27 11.647 -2.990 9.344 189 1HB ALA 27 1HB ALA 27 12.848 -4.350 10.996 190 2HB ALA 27 2HB ALA 27 11.235 -5.012 10.676 191 3HB ALA 27 3HB ALA 27 12.674 -5.788 9.965 192 H TRP 28 H TRP 28 13.289 -4.882 6.915 193 HA TRP 28 HA TRP 28 15.914 -3.773 7.671 194 1HB TRP 28 1HB TRP 28 16.808 -5.628 6.948 195 2HB TRP 28 2HB TRP 28 15.195 -6.286 6.959 196 HD1 TRP 28 HD TRP 28 18.050 -5.284 4.761 197 HE1 TRP 28 1HE TRP 28 17.635 -5.832 2.301 198 HE3 TRP 28 3HE TRP 28 13.117 -6.661 5.047 199 HZ2 TRP 28 2HZ TRP 28 15.402 -6.565 0.627 200 HZ3 TRP 28 3HZ TRP 28 11.845 -7.211 2.958 201 HH2 TRP 28 HH TRP 28 13.001 -7.137 0.769 202 H CYS 29 H CYS 29 13.534 -3.355 5.062 203 HA CYS 29 HA CYS 29 15.511 -2.755 3.088 204 1HB CYS 29 1HB CYS 29 13.400 -1.972 1.784 205 2HB CYS 29 2HB CYS 29 13.777 -3.656 2.077 206 H GLY 30 H GLY 30 16.784 -1.030 3.655 207 1HA GLY 30 1HA GLY 30 16.673 1.368 4.624 208 2HA GLY 30 2HA GLY 30 17.344 1.181 3.008 209 HA PRO 31 HA PRO 31 14.324 3.935 1.406 210 1HB PRO 31 1HB PRO 31 13.177 2.831 -0.841 211 2HB PRO 31 2HB PRO 31 14.876 3.391 -0.755 212 1HG PRO 31 1HG PRO 31 13.823 0.566 -0.408 213 2HG PRO 31 2HG PRO 31 15.195 1.121 -1.418 214 1HD PRO 31 1HD PRO 31 15.582 0.070 1.051 215 2HD PRO 31 2HD PRO 31 16.578 1.440 0.478 216 H CYS 32 H CYS 32 12.931 0.701 2.074 217 HA CYS 32 HA CYS 32 10.199 1.697 1.942 218 1HB CYS 32 1HB CYS 32 9.474 -0.409 2.558 219 2HB CYS 32 2HB CYS 32 10.935 -0.778 1.656 220 H ARG 33 H ARG 33 12.706 1.316 4.401 221 HA ARG 33 HA ARG 33 11.083 2.164 6.595 222 1HB ARG 33 1HB ARG 33 13.417 1.003 6.512 223 2HB ARG 33 2HB ARG 33 14.063 2.645 6.376 224 1HG ARG 33 1HG ARG 33 12.997 3.239 8.538 225 2HG ARG 33 2HG ARG 33 12.261 1.621 8.618 226 1HD ARG 33 1HD ARG 33 14.531 0.606 8.628 227 2HD ARG 33 2HD ARG 33 15.246 2.236 8.590 228 HE ARG 33 HE ARG 33 13.422 2.065 10.750 229 1HH1 ARG 33 2HH2 ARG 33 16.568 0.781 9.824 230 2HH1 ARG 33 1HH2 ARG 33 17.171 0.597 11.436 231 1HH2 ARG 33 2HH1 ARG 33 14.165 1.803 12.926 232 2HH2 ARG 33 1HH1 ARG 33 15.746 1.189 13.245 233 H MET 34 H MET 34 12.182 4.007 3.886 234 HA MET 34 HA MET 34 11.751 6.551 5.306 235 1HB MET 34 1HB MET 34 12.628 5.981 2.436 236 2HB MET 34 2HB MET 34 12.494 7.576 3.168 237 1HG MET 34 1HG MET 34 14.341 7.175 4.632 238 2HG MET 34 2HG MET 34 14.345 5.445 4.287 239 1HE MET 34 1HE MET 34 14.012 8.296 1.476 240 2HE MET 34 2HE MET 34 15.019 9.018 2.757 241 3HE MET 34 3HE MET 34 15.733 8.606 1.182 242 H MET 35 H MET 35 10.398 4.490 2.747 243 HA MET 35 HA MET 35 8.382 6.372 1.961 244 1HB MET 35 1HB MET 35 9.364 4.485 0.555 245 2HB MET 35 2HB MET 35 8.342 3.372 1.471 246 1HG MET 35 1HG MET 35 6.338 4.507 0.740 247 2HG MET 35 2HG MET 35 7.267 5.843 0.046 248 1HE MET 35 1HE MET 35 4.884 4.331 -1.557 249 2HE MET 35 2HE MET 35 5.835 5.732 -2.116 250 3HE MET 35 3HE MET 35 5.669 4.292 -3.151 251 H ALA 36 H ALA 36 8.464 3.581 4.216 252 HA ALA 36 HA ALA 36 5.684 3.427 4.713 253 1HB ALA 36 1HB ALA 36 8.011 2.761 6.569 254 2HB ALA 36 2HB ALA 36 6.309 2.299 6.819 255 3HB ALA 36 3HB ALA 36 7.197 1.684 5.420 256 HA PRO 37 HA PRO 37 6.014 6.754 8.119 257 1HB PRO 37 1HB PRO 37 8.136 8.549 8.062 258 2HB PRO 37 2HB PRO 37 7.998 7.129 9.143 259 1HG PRO 37 1HG PRO 37 9.503 7.382 6.560 260 2HG PRO 37 2HG PRO 37 10.017 6.587 8.069 261 1HD PRO 37 1HD PRO 37 9.054 5.144 5.978 262 2HD PRO 37 2HD PRO 37 8.681 4.691 7.660 263 H VAL 38 H VAL 38 7.443 7.470 4.809 264 HA VAL 38 HA VAL 38 6.042 9.962 4.625 265 HB VAL 38 HB VAL 38 7.728 8.296 2.993 266 1HG1 VAL 38 1HG1 VAL 38 5.968 7.865 1.483 267 2HG1 VAL 38 2HG1 VAL 38 5.493 9.567 1.427 268 3HG1 VAL 38 3HG1 VAL 38 7.059 9.043 0.760 269 1HG2 VAL 38 1HG2 VAL 38 8.396 10.509 2.091 270 2HG2 VAL 38 2HG2 VAL 38 7.094 11.255 3.043 271 3HG2 VAL 38 3HG2 VAL 38 8.412 10.408 3.859 272 H LEU 39 H LEU 39 5.024 6.628 4.062 273 HA LEU 39 HA LEU 39 2.438 7.264 3.021 274 1HB LEU 39 1HB LEU 39 3.990 4.827 3.793 275 2HB LEU 39 2HB LEU 39 2.254 4.690 3.853 276 HG LEU 39 HG LEU 39 1.952 5.044 1.571 277 1HD1 LEU 39 1HD1 LEU 39 3.373 6.974 1.080 278 2HD1 LEU 39 2HD1 LEU 39 4.822 5.980 1.323 279 3HD1 LEU 39 3HD1 LEU 39 3.739 5.668 -0.040 280 1HD2 LEU 39 1HD2 LEU 39 2.812 2.844 2.030 281 2HD2 LEU 39 2HD2 LEU 39 3.540 3.365 0.513 282 3HD2 LEU 39 3HD2 LEU 39 4.489 3.411 2.004 283 H GLU 40 H GLU 40 3.749 6.794 6.296 284 HA GLU 40 HA GLU 40 1.262 6.545 7.675 285 1HB GLU 40 1HB GLU 40 3.776 6.338 8.477 286 2HB GLU 40 2HB GLU 40 3.662 8.076 8.736 287 1HG GLU 40 1HG GLU 40 3.105 7.265 10.811 288 2HG GLU 40 2HG GLU 40 1.498 7.479 10.117 289 H GLU 41 H GLU 41 3.216 9.375 6.709 290 HA GLU 41 HA GLU 41 1.360 11.412 7.538 291 1HB GLU 41 1HB GLU 41 3.336 11.351 5.250 292 2HB GLU 41 2HB GLU 41 2.529 12.818 5.804 293 1HG GLU 41 1HG GLU 41 3.693 12.665 7.957 294 2HG GLU 41 2HG GLU 41 4.468 11.153 7.466 295 H PHE 42 H PHE 42 1.759 9.669 4.397 296 HA PHE 42 HA PHE 42 -0.344 10.993 3.009 297 1HB PHE 42 1HB PHE 42 1.384 9.468 1.982 298 2HB PHE 42 2HB PHE 42 0.524 8.096 2.669 299 HD1 PHE 42 1HD PHE 42 -1.772 7.482 1.902 300 HD2 PHE 42 2HD PHE 42 0.557 10.557 -0.028 301 HE1 PHE 42 1HE PHE 42 -3.313 7.440 -0.035 302 HE2 PHE 42 2HE PHE 42 -0.940 10.456 -1.989 303 HZ PHE 42 HZ PHE 42 -2.919 8.924 -1.977 304 H ALA 43 H ALA 43 -0.404 8.159 5.188 305 HA ALA 43 HA ALA 43 -3.037 7.384 4.792 306 1HB ALA 43 1HB ALA 43 -2.877 6.235 6.933 307 2HB ALA 43 2HB ALA 43 -1.295 6.117 6.133 308 3HB ALA 43 3HB ALA 43 -1.544 7.265 7.456 309 H GLU 44 H GLU 44 -1.738 9.616 7.268 310 HA GLU 44 HA GLU 44 -4.182 10.446 8.398 311 1HB GLU 44 1HB GLU 44 -1.946 10.884 9.317 312 2HB GLU 44 2HB GLU 44 -1.630 12.076 8.061 313 1HG GLU 44 1HG GLU 44 -4.184 12.470 9.590 314 2HG GLU 44 2HG GLU 44 -2.723 12.560 10.553 315 H ALA 45 H ALA 45 -2.326 11.925 5.719 316 HA ALA 45 HA ALA 45 -4.054 14.031 5.188 317 1HB ALA 45 1HB ALA 45 -1.738 13.820 4.351 318 2HB ALA 45 2HB ALA 45 -2.262 12.556 3.211 319 3HB ALA 45 3HB ALA 45 -2.867 14.219 3.039 320 H HIS 46 H HIS 46 -4.799 10.748 4.509 321 HA HIS 46 HA HIS 46 -7.128 11.596 2.862 322 1HB HIS 46 1HB HIS 46 -5.362 9.318 2.271 323 2HB HIS 46 2HB HIS 46 -6.862 9.667 1.424 324 HD1 HIS 46 1HD HIS 46 -6.843 12.236 0.150 325 HD2 HIS 46 2HD HIS 46 -3.204 10.396 1.244 326 HE1 HIS 46 1HE HIS 46 -5.020 13.316 -1.296 327 HE2 HIS 46 2HE HIS 46 -2.812 12.200 -0.631 328 H ALA 47 H ALA 47 -6.554 10.659 5.774 329 HA ALA 47 HA ALA 47 -6.888 8.115 6.267 330 1HB ALA 47 1HB ALA 47 -7.984 10.365 7.992 331 2HB ALA 47 2HB ALA 47 -7.575 8.729 8.554 332 3HB ALA 47 3HB ALA 47 -6.304 9.786 7.932 333 H ASP 48 H ASP 48 -9.755 9.925 5.303 334 HA ASP 48 HA ASP 48 -11.152 7.353 5.536 335 1HB ASP 48 1HB ASP 48 -11.722 8.982 7.494 336 2HB ASP 48 2HB ASP 48 -12.735 9.789 6.293 337 H LYS 49 H LYS 49 -10.093 9.338 3.286 338 HA LYS 49 HA LYS 49 -12.493 8.896 1.582 339 1HB LYS 49 1HB LYS 49 -10.988 10.927 1.251 340 2HB LYS 49 2HB LYS 49 -9.800 9.810 0.540 341 1HG LYS 49 1HG LYS 49 -11.577 9.027 -1.064 342 2HG LYS 49 2HG LYS 49 -12.695 10.206 -0.358 343 1HD LYS 49 1HD LYS 49 -11.081 12.022 -1.097 344 2HD LYS 49 2HD LYS 49 -10.135 10.785 -1.897 345 1HE LYS 49 1HE LYS 49 -13.054 11.500 -2.461 346 2HE LYS 49 2HE LYS 49 -11.677 11.919 -3.463 347 1HZ LYS 49 1HZ LYS 49 -12.875 9.260 -3.115 348 2HZ LYS 49 2HZ LYS 49 -12.580 10.113 -4.510 349 3HZ LYS 49 3HZ LYS 49 -11.355 9.418 -3.741 350 H VAL 50 H VAL 50 -9.549 7.333 2.663 351 HA VAL 50 HA VAL 50 -10.117 5.061 0.851 352 HB VAL 50 HB VAL 50 -7.720 4.676 0.559 353 1HG1 VAL 50 1HG1 VAL 50 -8.408 7.521 -0.247 354 2HG1 VAL 50 2HG1 VAL 50 -7.209 6.447 -1.009 355 3HG1 VAL 50 3HG1 VAL 50 -8.940 6.082 -1.118 356 1HG2 VAL 50 1HG2 VAL 50 -7.230 7.363 1.895 357 2HG2 VAL 50 2HG2 VAL 50 -6.954 5.795 2.658 358 3HG2 VAL 50 3HG2 VAL 50 -6.018 6.254 1.220 359 H THR 51 H THR 51 -8.784 3.068 1.655 360 HA THR 51 HA THR 51 -9.076 2.785 4.545 361 HB THR 51 HB THR 51 -9.591 0.889 2.318 362 HG1 THR 51 1HG THR 51 -11.198 2.380 2.833 363 1HG2 THR 51 1HG2 THR 51 -8.572 -0.442 4.096 364 2HG2 THR 51 2HG2 THR 51 -9.632 0.320 5.308 365 3HG2 THR 51 3HG2 THR 51 -10.312 -0.744 4.056 366 H VAL 52 H VAL 52 -6.952 3.447 5.008 367 HA VAL 52 HA VAL 52 -4.726 2.391 3.412 368 HB VAL 52 HB VAL 52 -4.265 3.802 5.973 369 1HG1 VAL 52 1HG1 VAL 52 -3.012 4.058 3.217 370 2HG1 VAL 52 2HG1 VAL 52 -2.415 4.817 4.692 371 3HG1 VAL 52 3HG1 VAL 52 -2.372 3.062 4.544 372 1HG2 VAL 52 1HG2 VAL 52 -6.103 5.206 4.892 373 2HG2 VAL 52 2HG2 VAL 52 -4.586 6.009 5.145 374 3HG2 VAL 52 3HG2 VAL 52 -4.979 5.426 3.519 375 H ALA 53 H ALA 53 -3.110 0.802 4.166 376 HA ALA 53 HA ALA 53 -3.137 0.272 6.994 377 1HB ALA 53 1HB ALA 53 -3.650 -1.954 4.973 378 2HB ALA 53 2HB ALA 53 -3.262 -2.196 6.695 379 3HB ALA 53 3HB ALA 53 -4.788 -1.420 6.227 380 H LYS 54 H LYS 54 -1.274 -1.210 7.508 381 HA LYS 54 HA LYS 54 0.783 -1.244 5.431 382 1HB LYS 54 1HB LYS 54 2.488 -0.342 6.960 383 2HB LYS 54 2HB LYS 54 1.175 0.816 6.757 384 1HG LYS 54 1HG LYS 54 0.202 -0.199 8.966 385 2HG LYS 54 2HG LYS 54 1.815 -0.906 9.172 386 1HD LYS 54 1HD LYS 54 2.807 1.387 9.055 387 2HD LYS 54 2HD LYS 54 1.180 2.059 8.784 388 1HE LYS 54 1HE LYS 54 0.493 0.914 10.974 389 2HE LYS 54 2HE LYS 54 2.219 0.640 11.269 390 1HZ LYS 54 1HZ LYS 54 0.998 3.334 10.837 391 2HZ LYS 54 2HZ LYS 54 1.433 2.702 12.311 392 3HZ LYS 54 3HZ LYS 54 2.507 3.110 11.114 393 H LEU 55 H LEU 55 2.295 -2.788 5.596 394 HA LEU 55 HA LEU 55 2.191 -4.651 7.885 395 1HB LEU 55 1HB LEU 55 1.499 -6.576 6.829 396 2HB LEU 55 2HB LEU 55 0.306 -5.386 6.396 397 HG LEU 55 HG LEU 55 2.579 -6.082 4.476 398 1HD1 LEU 55 1HD1 LEU 55 1.030 -7.743 3.497 399 2HD1 LEU 55 2HD1 LEU 55 1.582 -8.151 5.136 400 3HD1 LEU 55 3HD1 LEU 55 -0.055 -7.526 4.896 401 1HD2 LEU 55 1HD2 LEU 55 -0.274 -5.090 4.026 402 2HD2 LEU 55 2HD2 LEU 55 1.189 -4.097 3.908 403 3HD2 LEU 55 3HD2 LEU 55 0.949 -5.421 2.776 404 H ASN 56 H ASN 56 3.774 -6.414 7.798 405 HA ASN 56 HA ASN 56 6.305 -5.551 6.536 406 1HB ASN 56 1HB ASN 56 6.443 -6.031 8.879 407 2HB ASN 56 2HB ASN 56 5.462 -7.482 8.731 408 1HD2 ASN 56 1HD2 ASN 56 6.599 -9.357 8.881 409 2HD2 ASN 56 2HD2 ASN 56 8.248 -9.571 8.325 410 H VAL 57 H VAL 57 6.375 -6.283 4.448 411 HA VAL 57 HA VAL 57 4.589 -7.964 3.268 412 HB VAL 57 HB VAL 57 6.083 -6.381 2.151 413 1HG1 VAL 57 1HG1 VAL 57 8.330 -7.030 1.379 414 2HG1 VAL 57 2HG1 VAL 57 8.259 -6.994 3.142 415 3HG1 VAL 57 3HG1 VAL 57 8.230 -8.546 2.275 416 1HG2 VAL 57 1HG2 VAL 57 6.227 -7.499 0.044 417 2HG2 VAL 57 2HG2 VAL 57 6.264 -9.098 0.808 418 3HG2 VAL 57 3HG2 VAL 57 4.793 -8.124 0.870 419 H ASP 58 H ASP 58 7.564 -9.055 4.792 420 HA ASP 58 HA ASP 58 7.817 -11.691 3.859 421 1HB ASP 58 1HB ASP 58 9.385 -10.342 5.251 422 2HB ASP 58 2HB ASP 58 8.319 -10.574 6.615 423 H GLU 59 H GLU 59 5.685 -10.353 6.422 424 HA GLU 59 HA GLU 59 4.842 -12.808 7.533 425 1HB GLU 59 1HB GLU 59 3.793 -11.435 8.906 426 2HB GLU 59 2HB GLU 59 4.824 -10.212 8.263 427 1HG GLU 59 1HG GLU 59 2.881 -9.595 6.671 428 2HG GLU 59 2HG GLU 59 1.891 -10.724 7.578 429 H ASN 60 H ASN 60 3.988 -11.180 4.676 430 HA ASN 60 HA ASN 60 1.365 -12.602 4.379 431 1HB ASN 60 1HB ASN 60 1.072 -10.244 4.648 432 2HB ASN 60 2HB ASN 60 2.264 -9.872 3.393 433 1HD2 ASN 60 1HD2 ASN 60 -1.040 -10.740 4.045 434 2HD2 ASN 60 2HD2 ASN 60 -1.577 -11.118 2.392 435 HA PRO 61 HA PRO 61 4.064 -14.111 0.964 436 1HB PRO 61 1HB PRO 61 3.586 -16.794 1.185 437 2HB PRO 61 2HB PRO 61 4.789 -15.929 2.190 438 1HG PRO 61 1HG PRO 61 1.943 -16.680 2.930 439 2HG PRO 61 2HG PRO 61 3.438 -16.913 3.892 440 1HD PRO 61 1HD PRO 61 1.765 -14.769 4.286 441 2HD PRO 61 2HD PRO 61 3.533 -14.628 4.474 442 H GLU 62 H GLU 62 0.689 -14.782 1.884 443 HA GLU 62 HA GLU 62 -0.224 -15.775 -0.633 444 1HB GLU 62 1HB GLU 62 -2.377 -15.619 0.146 445 2HB GLU 62 2HB GLU 62 -1.346 -16.185 1.444 446 1HG GLU 62 1HG GLU 62 -2.804 -14.744 2.406 447 2HG GLU 62 2HG GLU 62 -1.290 -13.838 2.357 448 H THR 63 H THR 63 -1.048 -14.661 -2.391 449 HA THR 63 HA THR 63 -1.473 -13.125 -3.907 450 HB THR 63 HB THR 63 -2.013 -11.252 -1.574 451 HG1 THR 63 1HG THR 63 -3.428 -12.845 -1.335 452 1HG2 THR 63 1HG2 THR 63 -2.836 -11.122 -4.514 453 2HG2 THR 63 2HG2 THR 63 -3.509 -10.115 -3.220 454 3HG2 THR 63 3HG2 THR 63 -1.799 -9.957 -3.656 455 H THR 64 H THR 64 0.788 -12.160 -1.552 456 HA THR 64 HA THR 64 2.405 -10.310 -3.011 457 HB THR 64 HB THR 64 2.759 -12.125 -0.624 458 HG1 THR 64 1HG THR 64 1.786 -10.424 0.221 459 1HG2 THR 64 1HG2 THR 64 5.064 -11.771 -1.560 460 2HG2 THR 64 2HG2 THR 64 4.788 -10.020 -1.437 461 3HG2 THR 64 3HG2 THR 64 4.813 -11.017 0.017 462 H SER 65 H SER 65 2.902 -13.856 -2.312 463 HA SER 65 HA SER 65 4.994 -14.116 -4.252 464 1HB SER 65 1HB SER 65 4.664 -15.632 -2.296 465 2HB SER 65 2HB SER 65 3.196 -16.270 -3.072 466 HG SER 65 HG SER 65 4.735 -16.589 -4.946 467 H GLN 66 H GLN 66 1.583 -13.789 -4.744 468 HA GLN 66 HA GLN 66 1.563 -15.192 -7.318 469 1HB GLN 66 1HB GLN 66 -0.415 -15.146 -5.909 470 2HB GLN 66 2HB GLN 66 -0.454 -13.401 -5.898 471 1HG GLN 66 1HG GLN 66 -0.638 -14.899 -8.524 472 2HG GLN 66 2HG GLN 66 -2.051 -14.691 -7.492 473 1HE2 GLN 66 1HE2 GLN 66 -2.459 -12.277 -6.721 474 2HE2 GLN 66 2HE2 GLN 66 -2.215 -11.099 -8.000 475 H PHE 67 H PHE 67 1.440 -11.709 -6.109 476 HA PHE 67 HA PHE 67 1.604 -10.899 -8.898 477 1HB PHE 67 1HB PHE 67 0.068 -10.027 -6.973 478 2HB PHE 67 2HB PHE 67 1.439 -9.057 -6.511 479 HD1 PHE 67 1HD PHE 67 1.235 -6.827 -7.274 480 HD2 PHE 67 2HD PHE 67 -0.363 -9.998 -9.721 481 HE1 PHE 67 1HE PHE 67 0.439 -5.155 -8.924 482 HE2 PHE 67 2HE PHE 67 -1.168 -8.324 -11.353 483 HZ PHE 67 HZ PHE 67 -0.767 -5.897 -10.960 484 H GLY 68 H GLY 68 4.012 -11.979 -7.148 485 1HA GLY 68 1HA GLY 68 6.271 -11.895 -7.553 486 2HA GLY 68 2HA GLY 68 5.988 -10.561 -8.676 487 H ILE 69 H ILE 69 4.914 -10.410 -5.316 488 HA ILE 69 HA ILE 69 6.151 -7.795 -5.212 489 HB ILE 69 HB ILE 69 4.172 -9.295 -3.519 490 1HG1 ILE 69 1HG1 ILE 69 3.488 -8.535 -5.811 491 2HG1 ILE 69 2HG1 ILE 69 2.504 -7.898 -4.507 492 1HG2 ILE 69 1HG2 ILE 69 5.089 -6.451 -3.041 493 2HG2 ILE 69 2HG2 ILE 69 3.551 -7.139 -2.466 494 3HG2 ILE 69 3HG2 ILE 69 5.054 -7.812 -1.897 495 1HD1 ILE 69 1HD1 ILE 69 3.080 -6.218 -6.295 496 2HD1 ILE 69 2HD1 ILE 69 3.543 -5.742 -4.660 497 3HD1 ILE 69 3HD1 ILE 69 4.773 -6.312 -5.813 498 H MET 70 H MET 70 8.293 -8.621 -5.255 499 HA MET 70 HA MET 70 9.314 -8.759 -2.432 500 1HB MET 70 1HB MET 70 10.015 -10.383 -4.647 501 2HB MET 70 2HB MET 70 11.339 -9.227 -4.504 502 1HG MET 70 1HG MET 70 11.882 -11.099 -3.141 503 2HG MET 70 2HG MET 70 11.453 -9.779 -2.045 504 1HE MET 70 1HE MET 70 11.675 -12.709 -0.968 505 2HE MET 70 2HE MET 70 11.084 -11.370 0.048 506 3HE MET 70 3HE MET 70 10.175 -12.894 -0.030 507 H SER 71 H SER 71 8.691 -6.587 -4.885 508 HA SER 71 HA SER 71 11.222 -5.245 -5.075 509 1HB SER 71 1HB SER 71 9.937 -3.946 -6.768 510 2HB SER 71 2HB SER 71 9.703 -5.692 -6.964 511 HG SER 71 HG SER 71 7.957 -3.819 -5.748 512 H ILE 72 H ILE 72 9.912 -5.113 -2.400 513 HA ILE 72 HA ILE 72 8.410 -2.781 -2.303 514 HB ILE 72 HB ILE 72 7.996 -3.200 -0.064 515 1HG1 ILE 72 1HG1 ILE 72 10.183 -3.247 0.898 516 2HG1 ILE 72 2HG1 ILE 72 9.201 -4.584 1.466 517 1HG2 ILE 72 1HG2 ILE 72 8.459 -5.947 -1.237 518 2HG2 ILE 72 2HG2 ILE 72 7.337 -5.463 0.040 519 3HG2 ILE 72 3HG2 ILE 72 7.099 -4.861 -1.602 520 1HD1 ILE 72 1HD1 ILE 72 10.433 -6.146 -0.022 521 2HD1 ILE 72 2HD1 ILE 72 11.429 -4.790 -0.612 522 3HD1 ILE 72 3HD1 ILE 72 11.502 -5.268 1.086 523 HA PRO 73 HA PRO 73 8.131 -1.145 0.089 524 1HB PRO 73 1HB PRO 73 7.591 1.453 -0.405 525 2HB PRO 73 2HB PRO 73 8.636 0.884 0.895 526 1HG PRO 73 1HG PRO 73 9.444 1.912 -1.845 527 2HG PRO 73 2HG PRO 73 10.192 2.321 -0.277 528 1HD PRO 73 1HD PRO 73 11.240 0.448 -1.981 529 2HD PRO 73 2HD PRO 73 11.362 0.264 -0.216 530 H THR 74 H THR 74 6.254 -1.729 -0.826 531 HA THR 74 HA THR 74 5.585 -0.667 -3.532 532 HB THR 74 HB THR 74 4.789 -3.401 -2.466 533 HG1 THR 74 1HG THR 74 6.173 -4.172 -4.038 534 1HG2 THR 74 1HG2 THR 74 3.102 -2.535 -3.977 535 2HG2 THR 74 2HG2 THR 74 4.328 -1.977 -5.121 536 3HG2 THR 74 3HG2 THR 74 4.076 -3.697 -4.891 537 H LEU 75 H LEU 75 3.525 0.058 -3.805 538 HA LEU 75 HA LEU 75 1.732 0.342 -1.433 539 1HB LEU 75 1HB LEU 75 2.978 2.383 -1.873 540 2HB LEU 75 2HB LEU 75 2.316 2.439 -3.503 541 HG LEU 75 HG LEU 75 0.551 2.239 -1.022 542 1HD1 LEU 75 1HD1 LEU 75 1.493 4.678 -2.508 543 2HD1 LEU 75 2HD1 LEU 75 0.329 4.658 -1.147 544 3HD1 LEU 75 3HD1 LEU 75 2.006 4.174 -0.876 545 1HD2 LEU 75 1HD2 LEU 75 -0.867 1.803 -2.886 546 2HD2 LEU 75 2HD2 LEU 75 -1.058 3.535 -2.640 547 3HD2 LEU 75 3HD2 LEU 75 -0.008 2.951 -3.934 548 H ILE 76 H ILE 76 0.121 -1.218 -2.177 549 HA ILE 76 HA ILE 76 -0.618 -0.994 -5.073 550 HB ILE 76 HB ILE 76 -1.286 -3.306 -3.247 551 1HG1 ILE 76 1HG1 ILE 76 0.722 -3.179 -5.555 552 2HG1 ILE 76 2HG1 ILE 76 1.083 -3.463 -3.862 553 1HG2 ILE 76 1HG2 ILE 76 -1.819 -2.833 -6.225 554 2HG2 ILE 76 2HG2 ILE 76 -2.218 -4.309 -5.323 555 3HG2 ILE 76 3HG2 ILE 76 -3.037 -2.839 -4.929 556 1HD1 ILE 76 1HD1 ILE 76 -0.372 -5.594 -4.072 557 2HD1 ILE 76 2HD1 ILE 76 -0.279 -5.328 -5.829 558 3HD1 ILE 76 3HD1 ILE 76 1.195 -5.583 -4.897 559 H LEU 77 H LEU 77 -2.735 -0.437 -5.454 560 HA LEU 77 HA LEU 77 -4.418 -0.014 -3.067 561 1HB LEU 77 1HB LEU 77 -3.719 2.103 -4.208 562 2HB LEU 77 2HB LEU 77 -4.688 1.614 -5.610 563 HG LEU 77 HG LEU 77 -5.910 1.578 -2.856 564 1HD1 LEU 77 1HD1 LEU 77 -5.473 4.110 -4.450 565 2HD1 LEU 77 2HD1 LEU 77 -6.506 3.957 -3.002 566 3HD1 LEU 77 3HD1 LEU 77 -4.768 3.701 -2.872 567 1HD2 LEU 77 1HD2 LEU 77 -7.292 0.785 -4.742 568 2HD2 LEU 77 2HD2 LEU 77 -7.948 2.277 -4.080 569 3HD2 LEU 77 3HD2 LEU 77 -7.028 2.326 -5.593 570 H PHE 78 H PHE 78 -6.107 -1.308 -3.038 571 HA PHE 78 HA PHE 78 -6.685 -3.038 -5.386 572 1HB PHE 78 1HB PHE 78 -6.629 -3.534 -2.385 573 2HB PHE 78 2HB PHE 78 -7.476 -4.601 -3.467 574 HD1 PHE 78 1HD PHE 78 -4.168 -3.641 -2.233 575 HD2 PHE 78 2HD PHE 78 -6.365 -6.134 -4.976 576 HE1 PHE 78 1HE PHE 78 -2.262 -5.229 -2.332 577 HE2 PHE 78 2HE PHE 78 -4.447 -7.681 -5.122 578 HZ PHE 78 HZ PHE 78 -2.387 -7.244 -3.789 579 H LYS 79 H LYS 79 -8.854 -3.828 -5.534 580 HA LYS 79 HA LYS 79 -10.701 -3.434 -3.421 581 1HB LYS 79 1HB LYS 79 -12.498 -2.359 -4.774 582 2HB LYS 79 2HB LYS 79 -11.218 -1.288 -4.219 583 1HG LYS 79 1HG LYS 79 -10.358 -0.957 -6.388 584 2HG LYS 79 2HG LYS 79 -11.111 -2.425 -7.034 585 1HD LYS 79 1HD LYS 79 -12.264 -0.323 -7.782 586 2HD LYS 79 2HD LYS 79 -13.293 -1.501 -6.952 587 1HE LYS 79 1HE LYS 79 -12.743 -0.121 -4.790 588 2HE LYS 79 2HE LYS 79 -12.258 1.158 -5.884 589 1HZ LYS 79 1HZ LYS 79 -14.529 1.196 -6.726 590 2HZ LYS 79 2HZ LYS 79 -14.878 -0.256 -5.988 591 3HZ LYS 79 3HZ LYS 79 -14.666 1.015 -5.062 592 H GLY 80 H GLY 80 -12.431 -4.930 -3.621 593 1HA GLY 80 1HA GLY 80 -13.454 -6.877 -4.359 594 2HA GLY 80 2HA GLY 80 -13.188 -6.291 -5.999 595 H GLY 81 H GLY 81 -10.382 -6.831 -3.937 596 1HA GLY 81 1HA GLY 81 -8.732 -8.422 -3.988 597 2HA GLY 81 2HA GLY 81 -9.695 -9.431 -5.070 598 H GLU 82 H GLU 82 -9.782 -6.513 -6.668 599 HA GLU 82 HA GLU 82 -7.668 -7.354 -8.499 600 1HB GLU 82 1HB GLU 82 -9.897 -6.702 -9.340 601 2HB GLU 82 2HB GLU 82 -9.689 -5.082 -8.658 602 1HG GLU 82 1HG GLU 82 -7.675 -4.750 -10.108 603 2HG GLU 82 2HG GLU 82 -7.929 -6.356 -10.799 604 HA PRO 83 HA PRO 83 -5.054 -3.982 -6.744 605 1HB PRO 83 1HB PRO 83 -2.778 -4.491 -8.138 606 2HB PRO 83 2HB PRO 83 -3.310 -5.531 -6.782 607 1HG PRO 83 1HG PRO 83 -3.666 -6.050 -9.735 608 2HG PRO 83 2HG PRO 83 -3.101 -7.169 -8.458 609 1HD PRO 83 1HD PRO 83 -5.709 -7.044 -9.360 610 2HD PRO 83 2HD PRO 83 -5.276 -7.547 -7.698 611 H VAL 84 H VAL 84 -6.346 -2.229 -7.695 612 HA VAL 84 HA VAL 84 -6.686 -1.927 -10.486 613 HB VAL 84 HB VAL 84 -7.207 0.475 -9.785 614 1HG1 VAL 84 1HG1 VAL 84 -8.931 -1.225 -10.256 615 2HG1 VAL 84 2HG1 VAL 84 -8.832 -1.809 -8.589 616 3HG1 VAL 84 3HG1 VAL 84 -9.446 -0.172 -8.929 617 1HG2 VAL 84 1HG2 VAL 84 -7.309 -0.588 -6.968 618 2HG2 VAL 84 2HG2 VAL 84 -6.080 0.547 -7.581 619 3HG2 VAL 84 3HG2 VAL 84 -7.788 1.009 -7.547 620 H LYS 85 H LYS 85 -4.198 -0.685 -8.282 621 HA LYS 85 HA LYS 85 -2.296 -0.376 -10.415 622 1HB LYS 85 1HB LYS 85 -1.878 2.112 -9.941 623 2HB LYS 85 2HB LYS 85 -3.273 1.739 -10.938 624 1HG LYS 85 1HG LYS 85 -4.786 2.017 -9.005 625 2HG LYS 85 2HG LYS 85 -3.395 2.321 -7.942 626 1HD LYS 85 1HD LYS 85 -2.840 4.326 -9.233 627 2HD LYS 85 2HD LYS 85 -4.184 4.036 -10.353 628 1HE LYS 85 1HE LYS 85 -4.466 4.381 -7.341 629 2HE LYS 85 2HE LYS 85 -4.574 5.705 -8.525 630 1HZ LYS 85 1HZ LYS 85 -6.464 4.849 -9.475 631 2HZ LYS 85 2HZ LYS 85 -6.381 3.388 -8.686 632 3HZ LYS 85 3HZ LYS 85 -6.743 4.810 -7.895 633 H GLN 86 H GLN 86 -0.150 0.327 -9.523 634 HA GLN 86 HA GLN 86 -0.026 0.558 -6.641 635 1HB GLN 86 1HB GLN 86 1.470 -1.204 -6.324 636 2HB GLN 86 2HB GLN 86 0.221 -1.883 -7.372 637 1HG GLN 86 1HG GLN 86 3.028 -1.027 -8.186 638 2HG GLN 86 2HG GLN 86 2.476 -2.663 -7.880 639 1HE2 GLN 86 1HE2 GLN 86 2.022 0.140 -10.127 640 2HE2 GLN 86 2HE2 GLN 86 1.518 -0.907 -11.469 641 H LEU 87 H LEU 87 2.033 1.326 -5.869 642 HA LEU 87 HA LEU 87 3.850 2.522 -7.906 643 1HB LEU 87 1HB LEU 87 3.458 3.432 -5.012 644 2HB LEU 87 2HB LEU 87 4.723 3.952 -6.081 645 HG LEU 87 HG LEU 87 3.254 5.711 -6.020 646 1HD1 LEU 87 1HD1 LEU 87 4.032 5.015 -8.320 647 2HD1 LEU 87 2HD1 LEU 87 2.401 4.357 -8.586 648 3HD1 LEU 87 3HD1 LEU 87 2.639 6.093 -8.242 649 1HD2 LEU 87 1HD2 LEU 87 0.875 5.711 -6.374 650 2HD2 LEU 87 2HD2 LEU 87 0.853 3.968 -6.676 651 3HD2 LEU 87 3HD2 LEU 87 1.270 4.592 -5.060 652 H ILE 88 H ILE 88 6.085 2.157 -7.411 653 HA ILE 88 HA ILE 88 6.773 0.201 -5.350 654 HB ILE 88 HB ILE 88 8.287 -0.889 -7.044 655 1HG1 ILE 88 1HG1 ILE 88 8.001 0.728 -8.941 656 2HG1 ILE 88 2HG1 ILE 88 7.903 -0.980 -9.320 657 1HG2 ILE 88 1HG2 ILE 88 5.313 -1.410 -7.259 658 2HG2 ILE 88 2HG2 ILE 88 6.598 -2.524 -7.780 659 3HG2 ILE 88 3HG2 ILE 88 6.459 -2.065 -6.077 660 1HD1 ILE 88 1HD1 ILE 88 5.429 -0.821 -9.529 661 2HD1 ILE 88 2HD1 ILE 88 5.537 0.933 -9.244 662 3HD1 ILE 88 3HD1 ILE 88 6.310 0.216 -10.654 663 H GLY 89 H GLY 89 8.696 0.689 -4.449 664 1HA GLY 89 1HA GLY 89 10.675 1.801 -4.018 665 2HA GLY 89 2HA GLY 89 10.654 2.511 -5.642 666 H TYR 90 H TYR 90 11.366 4.074 -3.507 667 HA TYR 90 HA TYR 90 9.292 5.513 -2.201 668 1HB TYR 90 1HB TYR 90 11.587 5.368 -1.392 669 2HB TYR 90 2HB TYR 90 12.153 6.255 -2.797 670 HD1 TYR 90 1HD TYR 90 11.766 8.696 -3.006 671 HD2 TYR 90 2HD TYR 90 10.460 6.500 0.465 672 HE1 TYR 90 1HE TYR 90 11.441 10.818 -1.805 673 HE2 TYR 90 2HE TYR 90 10.124 8.632 1.692 674 HH TYR 90 HH TYR 90 10.880 11.816 0.227 675 H GLN 91 H GLN 91 7.685 6.235 -3.643 676 HA GLN 91 HA GLN 91 8.477 8.277 -5.628 677 1HB GLN 91 1HB GLN 91 5.627 7.414 -4.978 678 2HB GLN 91 2HB GLN 91 6.215 8.293 -6.353 679 1HG GLN 91 1HG GLN 91 6.764 5.365 -5.808 680 2HG GLN 91 2HG GLN 91 5.728 6.056 -7.054 681 1HE2 GLN 91 1HE2 GLN 91 8.361 4.288 -7.214 682 2HE2 GLN 91 2HE2 GLN 91 9.312 5.281 -8.305 683 HA PRO 92 HA PRO 92 7.727 11.237 -2.283 684 1HB PRO 92 1HB PRO 92 7.738 13.589 -3.690 685 2HB PRO 92 2HB PRO 92 9.230 12.651 -3.370 686 1HG PRO 92 1HG PRO 92 7.507 12.618 -5.869 687 2HG PRO 92 2HG PRO 92 9.288 12.800 -5.759 688 1HD PRO 92 1HD PRO 92 8.107 10.392 -6.266 689 2HD PRO 92 2HD PRO 92 9.582 10.506 -5.260 690 H LYS 93 H LYS 93 5.951 12.782 -1.678 691 HA LYS 93 HA LYS 93 3.460 11.654 -2.144 692 1HB LYS 93 1HB LYS 93 4.534 14.005 -0.731 693 2HB LYS 93 2HB LYS 93 2.963 14.339 -1.415 694 1HG LYS 93 1HG LYS 93 2.594 13.465 0.807 695 2HG LYS 93 2HG LYS 93 2.007 12.310 -0.388 696 1HD LYS 93 1HD LYS 93 3.122 10.931 1.150 697 2HD LYS 93 2HD LYS 93 4.320 11.123 -0.114 698 1HE LYS 93 1HE LYS 93 5.675 11.624 1.639 699 2HE LYS 93 2HE LYS 93 5.031 13.252 1.408 700 1HZ LYS 93 1HZ LYS 93 4.908 12.459 3.750 701 2HZ LYS 93 2HZ LYS 93 3.413 12.774 3.142 702 3HZ LYS 93 3HZ LYS 93 3.967 11.218 3.286 703 H GLU 94 H GLU 94 4.865 14.442 -3.763 704 HA GLU 94 HA GLU 94 2.652 15.213 -5.320 705 1HB GLU 94 1HB GLU 94 4.804 16.442 -4.926 706 2HB GLU 94 2HB GLU 94 5.634 15.304 -5.992 707 1HG GLU 94 1HG GLU 94 4.265 16.090 -7.903 708 2HG GLU 94 2HG GLU 94 3.364 17.168 -6.822 709 H GLN 95 H GLN 95 4.642 12.289 -5.737 710 HA GLN 95 HA GLN 95 3.729 11.926 -8.530 711 1HB GLN 95 1HB GLN 95 6.156 11.656 -7.768 712 2HB GLN 95 2HB GLN 95 5.656 10.331 -6.776 713 1HG GLN 95 1HG GLN 95 6.601 9.513 -8.890 714 2HG GLN 95 2HG GLN 95 4.912 9.039 -8.727 715 1HE2 GLN 95 1HE2 GLN 95 6.664 12.007 -9.996 716 2HE2 GLN 95 2HE2 GLN 95 5.728 12.013 -11.484 717 H LEU 96 H LEU 96 3.866 10.581 -5.332 718 HA LEU 96 HA LEU 96 2.370 8.215 -5.429 719 1HB LEU 96 1HB LEU 96 3.714 9.457 -3.526 720 2HB LEU 96 2HB LEU 96 2.168 10.140 -3.150 721 HG LEU 96 HG LEU 96 2.361 8.392 -1.679 722 1HD1 LEU 96 1HD1 LEU 96 0.163 8.356 -2.943 723 2HD1 LEU 96 2HD1 LEU 96 0.805 7.008 -3.898 724 3HD1 LEU 96 3HD1 LEU 96 0.604 6.858 -2.136 725 1HD2 LEU 96 1HD2 LEU 96 4.330 7.365 -2.726 726 2HD2 LEU 96 2HD2 LEU 96 3.150 6.163 -2.199 727 3HD2 LEU 96 3HD2 LEU 96 3.285 6.566 -3.922 728 H GLU 97 H GLU 97 1.138 11.432 -4.396 729 HA GLU 97 HA GLU 97 -1.594 10.597 -4.494 730 1HB GLU 97 1HB GLU 97 -0.236 12.698 -3.374 731 2HB GLU 97 2HB GLU 97 -0.958 13.509 -4.749 732 1HG GLU 97 1HG GLU 97 -2.524 11.822 -2.760 733 2HG GLU 97 2HG GLU 97 -2.210 13.531 -2.527 734 H ALA 98 H ALA 98 0.621 12.081 -6.892 735 HA ALA 98 HA ALA 98 -1.502 12.819 -8.714 736 1HB ALA 98 1HB ALA 98 0.261 12.876 -10.469 737 2HB ALA 98 2HB ALA 98 0.681 13.800 -9.023 738 3HB ALA 98 3HB ALA 98 1.421 12.201 -9.308 739 H GLN 99 H GLN 99 0.475 9.827 -8.462 740 HA GLN 99 HA GLN 99 -0.855 8.517 -10.666 741 1HB GLN 99 1HB GLN 99 1.394 8.047 -9.325 742 2HB GLN 99 2HB GLN 99 0.385 7.011 -8.340 743 1HG GLN 99 1HG GLN 99 0.566 6.801 -11.384 744 2HG GLN 99 2HG GLN 99 1.688 5.980 -10.322 745 1HE2 GLN 99 1HE2 GLN 99 -1.017 5.402 -12.128 746 2HE2 GLN 99 2HE2 GLN 99 -1.631 4.045 -11.202 747 H LEU 100 H LEU 100 -1.757 9.068 -7.409 748 HA LEU 100 HA LEU 100 -3.778 6.917 -7.402 749 1HB LEU 100 1HB LEU 100 -1.831 7.642 -5.613 750 2HB LEU 100 2HB LEU 100 -3.225 8.378 -4.913 751 HG LEU 100 HG LEU 100 -4.291 5.995 -5.130 752 1HD1 LEU 100 1HD1 LEU 100 -2.722 4.135 -5.409 753 2HD1 LEU 100 2HD1 LEU 100 -2.492 5.203 -6.809 754 3HD1 LEU 100 3HD1 LEU 100 -1.343 5.244 -5.477 755 1HD2 LEU 100 1HD2 LEU 100 -1.819 6.486 -3.388 756 2HD2 LEU 100 2HD2 LEU 100 -3.510 6.802 -2.956 757 3HD2 LEU 100 3HD2 LEU 100 -2.949 5.141 -3.154 758 H ALA 101 H ALA 101 -3.654 10.250 -7.860 759 HA ALA 101 HA ALA 101 -5.869 11.358 -6.733 760 1HB ALA 101 1HB ALA 101 -4.096 12.635 -7.783 761 2HB ALA 101 2HB ALA 101 -4.537 12.004 -9.390 762 3HB ALA 101 3HB ALA 101 -5.637 13.080 -8.505 763 H ASP 102 H ASP 102 -6.159 8.892 -9.147 764 HA ASP 102 HA ASP 102 -8.753 9.806 -10.193 765 1HB ASP 102 1HB ASP 102 -8.609 7.711 -11.467 766 2HB ASP 102 2HB ASP 102 -7.066 8.563 -11.619 767 H VAL 103 H VAL 103 -7.538 8.103 -7.416 768 HA VAL 103 HA VAL 103 -10.376 7.328 -6.867 769 HB VAL 103 HB VAL 103 -8.390 5.495 -7.044 770 1HG1 VAL 103 1HG1 VAL 103 -8.430 6.099 -4.080 771 2HG1 VAL 103 2HG1 VAL 103 -7.702 4.713 -4.902 772 3HG1 VAL 103 3HG1 VAL 103 -7.057 6.334 -5.197 773 1HG2 VAL 103 1HG2 VAL 103 -10.727 5.374 -5.114 774 2HG2 VAL 103 2HG2 VAL 103 -10.802 5.076 -6.864 775 3HG2 VAL 103 3HG2 VAL 103 -9.863 3.988 -5.838 776 H LEU 104 H LEU 104 -7.634 9.278 -5.864 777 HA LEU 104 HA LEU 104 -9.079 10.117 -3.497 778 1HB LEU 104 1HB LEU 104 -6.549 10.985 -4.885 779 2HB LEU 104 2HB LEU 104 -7.267 11.911 -3.643 780 HG LEU 104 HG LEU 104 -5.692 10.711 -2.448 781 1HD1 LEU 104 1HD1 LEU 104 -7.895 10.189 -1.409 782 2HD1 LEU 104 2HD1 LEU 104 -7.919 8.660 -2.335 783 3HD1 LEU 104 3HD1 LEU 104 -6.642 8.953 -1.136 784 1HD2 LEU 104 1HD2 LEU 104 -4.964 9.364 -4.320 785 2HD2 LEU 104 2HD2 LEU 104 -5.027 8.423 -2.814 786 3HD2 LEU 104 3HD2 LEU 104 -6.282 8.201 -4.046 787 H GLN 105 H GLN 105 -9.502 10.510 -6.768 788 HA GLN 105 HA GLN 105 -10.944 13.055 -6.675 789 1HB GLN 105 2HB GLN 105 -10.209 11.051 -8.665 790 2HB GLN 105 3HB GLN 105 -11.894 11.458 -8.791 791 1HG GLN 105 2HG GLN 105 -11.419 13.820 -9.043 792 2HG GLN 105 3HG GLN 105 -9.722 13.583 -8.610 793 1HE2 GLN 105 1HE2 GLN 105 -8.447 12.118 -10.039 794 2HE2 GLN 105 2HE2 GLN 105 -8.736 12.254 -11.792 Start of MODEL 11 1 1H ALA 1 H ALA 1 -11.078 3.091 5.248 2 2H ALA 1 2HN ALA 1 -11.765 4.568 5.623 3 3H ALA 1 3HN ALA 1 -10.231 4.488 5.009 4 HA ALA 1 HA ALA 1 -10.306 5.018 7.323 5 1HB ALA 1 1HB ALA 1 -11.025 3.307 8.914 6 2HB ALA 1 2HB ALA 1 -12.344 3.713 7.805 7 3HB ALA 1 3HB ALA 1 -11.441 2.207 7.563 8 H THR 2 H THR 2 -9.405 2.017 8.488 9 HA THR 2 HA THR 2 -7.026 1.598 6.936 10 HB THR 2 HB THR 2 -6.903 2.653 9.796 11 HG1 THR 2 1HG THR 2 -6.835 3.887 7.516 12 1HG2 THR 2 1HG2 THR 2 -4.584 1.629 8.099 13 2HG2 THR 2 2HG2 THR 2 -4.462 2.422 9.677 14 3HG2 THR 2 3HG2 THR 2 -5.232 0.834 9.554 15 H MET 3 H MET 3 -6.427 -0.583 7.196 16 HA MET 3 HA MET 3 -7.393 -2.078 9.506 17 1HB MET 3 1HB MET 3 -9.299 -2.216 7.876 18 2HB MET 3 2HB MET 3 -8.209 -2.973 6.699 19 1HG MET 3 1HG MET 3 -7.747 -4.795 8.326 20 2HG MET 3 2HG MET 3 -8.820 -4.033 9.495 21 1HE MET 3 1HE MET 3 -12.366 -4.600 7.898 22 2HE MET 3 2HE MET 3 -11.442 -3.845 9.216 23 3HE MET 3 3HE MET 3 -11.366 -3.173 7.567 24 H THR 4 H THR 4 -5.548 -3.124 10.146 25 HA THR 4 HA THR 4 -3.273 -3.354 8.552 26 HB THR 4 HB THR 4 -3.875 -4.965 11.030 27 HG1 THR 4 1HG THR 4 -3.158 -3.088 12.141 28 1HG2 THR 4 1HG2 THR 4 -1.480 -4.567 11.503 29 2HG2 THR 4 2HG2 THR 4 -1.675 -5.360 9.938 30 3HG2 THR 4 3HG2 THR 4 -1.326 -3.621 10.005 31 H LEU 5 H LEU 5 -3.832 -4.416 6.599 32 HA LEU 5 HA LEU 5 -4.514 -7.160 6.323 33 1HB LEU 5 1HB LEU 5 -2.345 -5.714 4.801 34 2HB LEU 5 2HB LEU 5 -3.210 -7.166 4.286 35 HG LEU 5 HG LEU 5 -4.202 -4.314 4.464 36 1HD1 LEU 5 1HD1 LEU 5 -4.013 -6.173 2.068 37 2HD1 LEU 5 2HD1 LEU 5 -4.448 -4.451 2.059 38 3HD1 LEU 5 3HD1 LEU 5 -2.809 -4.950 2.496 39 1HD2 LEU 5 1HD2 LEU 5 -6.331 -4.944 3.560 40 2HD2 LEU 5 2HD2 LEU 5 -5.903 -6.661 3.670 41 3HD2 LEU 5 3HD2 LEU 5 -6.080 -5.678 5.142 42 H THR 6 H THR 6 -3.074 -9.116 6.421 43 HA THR 6 HA THR 6 -0.399 -8.750 7.490 44 HB THR 6 HB THR 6 -2.463 -10.038 9.316 45 HG1 THR 6 1HG THR 6 -1.657 -7.497 8.998 46 1HG2 THR 6 1HG2 THR 6 0.506 -9.491 9.772 47 2HG2 THR 6 2HG2 THR 6 -0.640 -10.056 11.003 48 3HG2 THR 6 3HG2 THR 6 -0.248 -11.094 9.625 49 H ASP 7 H ASP 7 -2.932 -10.908 6.569 50 HA ASP 7 HA ASP 7 -1.439 -12.098 4.627 51 1HB ASP 7 1HB ASP 7 -0.217 -13.452 6.348 52 2HB ASP 7 2HB ASP 7 -1.753 -14.050 6.976 53 H ALA 8 H ALA 8 -3.724 -13.995 6.628 54 HA ALA 8 HA ALA 8 -5.673 -14.237 4.622 55 1HB ALA 8 1HB ALA 8 -7.208 -14.819 6.473 56 2HB ALA 8 2HB ALA 8 -5.611 -15.568 6.709 57 3HB ALA 8 3HB ALA 8 -6.069 -14.124 7.648 58 H ASN 9 H ASN 9 -5.008 -11.457 6.651 59 HA ASN 9 HA ASN 9 -7.638 -10.291 6.215 60 1HB ASN 9 1HB ASN 9 -6.415 -9.843 8.288 61 2HB ASN 9 2HB ASN 9 -5.247 -8.910 7.357 62 1HD2 ASN 9 1HD2 ASN 9 -8.863 -9.108 8.156 63 2HD2 ASN 9 2HD2 ASN 9 -9.030 -7.373 7.899 64 H PHE 10 H PHE 10 -4.696 -10.530 4.423 65 HA PHE 10 HA PHE 10 -5.043 -8.325 2.616 66 1HB PHE 10 1HB PHE 10 -2.952 -9.724 3.222 67 2HB PHE 10 2HB PHE 10 -3.506 -10.887 2.064 68 HD1 PHE 10 1HD PHE 10 -1.640 -7.909 2.619 69 HD2 PHE 10 2HD PHE 10 -3.731 -10.066 -0.461 70 HE1 PHE 10 1HE PHE 10 -0.429 -6.630 0.891 71 HE2 PHE 10 2HE PHE 10 -2.617 -8.700 -2.169 72 HZ PHE 10 HZ PHE 10 -0.946 -6.979 -1.508 73 H GLN 11 H GLN 11 -7.057 -10.900 3.187 74 HA GLN 11 HA GLN 11 -8.244 -10.580 0.473 75 1HB GLN 11 1HB GLN 11 -8.182 -13.094 2.208 76 2HB GLN 11 2HB GLN 11 -9.161 -12.914 0.750 77 1HG GLN 11 1HG GLN 11 -6.124 -12.661 0.802 78 2HG GLN 11 2HG GLN 11 -6.987 -14.159 0.479 79 1HE2 GLN 11 1HE2 GLN 11 -6.233 -10.903 -0.823 80 2HE2 GLN 11 2HE2 GLN 11 -6.662 -11.365 -2.479 81 H GLN 12 H GLN 12 -8.876 -11.498 3.903 82 HA GLN 12 HA GLN 12 -11.621 -11.153 3.967 83 1HB GLN 12 1HB GLN 12 -10.107 -12.053 5.777 84 2HB GLN 12 2HB GLN 12 -9.605 -10.386 6.076 85 1HG GLN 12 1HG GLN 12 -11.976 -9.828 6.714 86 2HG GLN 12 2HG GLN 12 -12.336 -11.558 6.603 87 1HE2 GLN 12 1HE2 GLN 12 -12.591 -12.118 8.835 88 2HE2 GLN 12 2HE2 GLN 12 -11.353 -11.754 10.028 89 H ALA 13 H ALA 13 -9.117 -8.524 4.045 90 HA ALA 13 HA ALA 13 -11.062 -6.563 4.929 91 1HB ALA 13 1HB ALA 13 -8.637 -6.363 5.444 92 2HB ALA 13 2HB ALA 13 -8.310 -6.200 3.707 93 3HB ALA 13 3HB ALA 13 -9.249 -4.955 4.554 94 H ILE 14 H ILE 14 -9.429 -7.484 1.905 95 HA ILE 14 HA ILE 14 -10.373 -5.269 0.421 96 HB ILE 14 HB ILE 14 -9.859 -7.626 -1.200 97 1HG1 ILE 14 1HG1 ILE 14 -8.347 -8.286 0.662 98 2HG1 ILE 14 2HG1 ILE 14 -7.631 -8.101 -0.923 99 1HG2 ILE 14 1HG2 ILE 14 -9.890 -5.306 -2.032 100 2HG2 ILE 14 2HG2 ILE 14 -8.511 -4.911 -1.018 101 3HG2 ILE 14 3HG2 ILE 14 -8.316 -6.088 -2.338 102 1HD1 ILE 14 1HD1 ILE 14 -6.608 -6.010 -0.346 103 2HD1 ILE 14 2HD1 ILE 14 -7.479 -5.965 1.217 104 3HD1 ILE 14 3HD1 ILE 14 -6.227 -7.193 0.904 105 H GLN 15 H GLN 15 -11.912 -8.254 1.165 106 HA GLN 15 HA GLN 15 -13.246 -8.948 -1.063 107 1HB GLN 15 1HB GLN 15 -14.752 -10.230 0.243 108 2HB GLN 15 2HB GLN 15 -13.213 -10.182 1.101 109 1HG GLN 15 1HG GLN 15 -14.180 -8.351 2.575 110 2HG GLN 15 2HG GLN 15 -15.731 -8.592 1.765 111 1HE2 GLN 15 1HE2 GLN 15 -13.733 -9.665 4.328 112 2HE2 GLN 15 2HE2 GLN 15 -14.732 -11.072 4.765 113 H GLY 16 H GLY 16 -14.369 -6.309 1.045 114 1HA GLY 16 1HA GLY 16 -15.454 -4.937 -1.137 115 2HA GLY 16 2HA GLY 16 -16.807 -5.555 -0.180 116 H ASP 17 H ASP 17 -15.094 -2.952 -0.558 117 HA ASP 17 HA ASP 17 -15.255 -1.941 2.205 118 1HB ASP 17 1HB ASP 17 -13.101 -3.235 2.105 119 2HB ASP 17 2HB ASP 17 -12.541 -2.200 0.819 120 H GLY 18 H GLY 18 -13.205 -1.094 -0.607 121 1HA GLY 18 1HA GLY 18 -14.294 1.098 -1.830 122 2HA GLY 18 2HA GLY 18 -13.717 1.641 -0.228 123 HA PRO 19 HA PRO 19 -9.957 1.350 -3.032 124 1HB PRO 19 1HB PRO 19 -8.936 3.858 -2.504 125 2HB PRO 19 2HB PRO 19 -10.100 3.495 -3.805 126 1HG PRO 19 1HG PRO 19 -10.669 4.573 -1.063 127 2HG PRO 19 2HG PRO 19 -11.320 5.149 -2.624 128 1HD PRO 19 1HD PRO 19 -12.712 3.505 -0.951 129 2HD PRO 19 2HD PRO 19 -12.836 3.339 -2.729 130 H VAL 20 H VAL 20 -9.293 -0.252 -1.646 131 HA VAL 20 HA VAL 20 -8.050 0.168 0.959 132 HB VAL 20 HB VAL 20 -8.332 -2.086 -1.056 133 1HG1 VAL 20 1HG1 VAL 20 -6.831 -2.188 1.618 134 2HG1 VAL 20 2HG1 VAL 20 -7.298 -3.609 0.666 135 3HG1 VAL 20 3HG1 VAL 20 -6.126 -2.467 0.008 136 1HG2 VAL 20 1HG2 VAL 20 -9.684 -3.141 0.682 137 2HG2 VAL 20 2HG2 VAL 20 -9.358 -1.804 1.794 138 3HG2 VAL 20 3HG2 VAL 20 -10.310 -1.528 0.328 139 H LEU 21 H LEU 21 -5.790 0.264 1.334 140 HA LEU 21 HA LEU 21 -3.980 0.739 -0.981 141 1HB LEU 21 1HB LEU 21 -5.141 2.825 -0.244 142 2HB LEU 21 2HB LEU 21 -4.606 2.562 1.394 143 HG LEU 21 HG LEU 21 -3.364 4.308 0.325 144 1HD1 LEU 21 1HD1 LEU 21 -1.152 3.797 0.916 145 2HD1 LEU 21 2HD1 LEU 21 -2.130 2.740 1.942 146 3HD1 LEU 21 3HD1 LEU 21 -1.311 2.094 0.507 147 1HD2 LEU 21 1HD2 LEU 21 -2.338 2.285 -1.698 148 2HD2 LEU 21 2HD2 LEU 21 -3.613 3.486 -1.997 149 3HD2 LEU 21 3HD2 LEU 21 -1.974 4.026 -1.599 150 H VAL 22 H VAL 22 -2.057 -0.423 -0.577 151 HA VAL 22 HA VAL 22 -1.542 -1.174 2.270 152 HB VAL 22 HB VAL 22 -2.113 -2.997 0.540 153 1HG1 VAL 22 1HG1 VAL 22 -0.372 -3.908 -0.816 154 2HG1 VAL 22 2HG1 VAL 22 -0.704 -2.234 -1.288 155 3HG1 VAL 22 3HG1 VAL 22 0.755 -2.620 -0.353 156 1HG2 VAL 22 1HG2 VAL 22 0.526 -3.233 2.068 157 2HG2 VAL 22 2HG2 VAL 22 -1.078 -3.374 2.809 158 3HG2 VAL 22 3HG2 VAL 22 -0.554 -4.551 1.596 159 H ASP 23 H ASP 23 0.356 -0.619 3.234 160 HA ASP 23 HA ASP 23 2.646 0.299 1.517 161 1HB ASP 23 1HB ASP 23 1.955 1.512 3.688 162 2HB ASP 23 2HB ASP 23 2.527 0.139 4.562 163 H PHE 24 H PHE 24 3.720 -1.476 0.648 164 HA PHE 24 HA PHE 24 4.313 -3.834 2.353 165 1HB PHE 24 1HB PHE 24 4.834 -3.259 -0.570 166 2HB PHE 24 2HB PHE 24 5.606 -4.543 0.283 167 HD1 PHE 24 1HD PHE 24 2.777 -3.857 -1.724 168 HD2 PHE 24 2HD PHE 24 4.219 -6.192 1.594 169 HE1 PHE 24 1HE PHE 24 1.267 -5.707 -2.363 170 HE2 PHE 24 2HE PHE 24 2.721 -8.040 0.961 171 HZ PHE 24 HZ PHE 24 1.352 -7.884 -1.056 172 H TRP 25 H TRP 25 5.827 -3.446 3.707 173 HA TRP 25 HA TRP 25 8.368 -2.234 2.807 174 1HB TRP 25 1HB TRP 25 8.579 -0.866 4.728 175 2HB TRP 25 2HB TRP 25 6.988 -0.534 4.096 176 HD1 TRP 25 HD TRP 25 4.954 -1.935 5.476 177 HE1 TRP 25 1HE TRP 25 4.742 -2.503 7.964 178 HE3 TRP 25 3HE TRP 25 9.757 -0.947 6.931 179 HZ2 TRP 25 2HZ TRP 25 6.477 -2.567 10.304 180 HZ3 TRP 25 3HZ TRP 25 10.443 -1.241 9.285 181 HH2 TRP 25 HH TRP 25 8.819 -2.074 10.976 182 H ALA 26 H ALA 26 9.910 -2.755 5.068 183 HA ALA 26 HA ALA 26 9.235 -5.134 6.458 184 1HB ALA 26 1HB ALA 26 11.583 -5.281 4.505 185 2HB ALA 26 2HB ALA 26 11.158 -6.504 5.726 186 3HB ALA 26 3HB ALA 26 10.076 -6.214 4.366 187 H ALA 27 H ALA 27 11.079 -5.576 8.028 188 HA ALA 27 HA ALA 27 11.804 -3.160 9.255 189 1HB ALA 27 1HB ALA 27 12.992 -4.579 10.865 190 2HB ALA 27 2HB ALA 27 11.418 -5.277 10.444 191 3HB ALA 27 3HB ALA 27 12.910 -5.954 9.742 192 H TRP 28 H TRP 28 13.529 -4.662 6.662 193 HA TRP 28 HA TRP 28 16.102 -3.494 7.577 194 1HB TRP 28 1HB TRP 28 17.148 -5.248 6.796 195 2HB TRP 28 2HB TRP 28 15.587 -6.030 6.800 196 HD1 TRP 28 HD TRP 28 18.276 -4.604 4.586 197 HE1 TRP 28 1HE TRP 28 17.867 -5.088 2.111 198 HE3 TRP 28 3HE TRP 28 13.639 -6.780 4.931 199 HZ2 TRP 28 2HZ TRP 28 15.671 -5.960 0.458 200 HZ3 TRP 28 3HZ TRP 28 12.380 -7.369 2.845 201 HH2 TRP 28 HH TRP 28 13.381 -6.862 0.634 202 H CYS 29 H CYS 29 13.671 -2.968 5.075 203 HA CYS 29 HA CYS 29 15.561 -2.295 3.034 204 1HB CYS 29 1HB CYS 29 13.452 -1.389 1.865 205 2HB CYS 29 2HB CYS 29 13.753 -3.099 2.086 206 H GLY 30 H GLY 30 16.897 -0.636 3.876 207 1HA GLY 30 1HA GLY 30 16.805 1.735 4.895 208 2HA GLY 30 2HA GLY 30 17.535 1.588 3.300 209 HA PRO 31 HA PRO 31 14.596 4.438 1.652 210 1HB PRO 31 1HB PRO 31 13.416 3.356 -0.596 211 2HB PRO 31 2HB PRO 31 15.115 3.915 -0.514 212 1HG PRO 31 1HG PRO 31 14.060 1.090 -0.194 213 2HG PRO 31 2HG PRO 31 15.440 1.652 -1.189 214 1HD PRO 31 1HD PRO 31 15.805 0.565 1.263 215 2HD PRO 31 2HD PRO 31 16.809 1.940 0.722 216 H CYS 32 H CYS 32 13.048 1.225 2.207 217 HA CYS 32 HA CYS 32 10.361 2.312 2.099 218 1HB CYS 32 1HB CYS 32 9.584 0.249 2.793 219 2HB CYS 32 2HB CYS 32 10.998 -0.162 1.835 220 H ARG 33 H ARG 33 12.834 1.801 4.589 221 HA ARG 33 HA ARG 33 11.259 2.548 6.816 222 1HB ARG 33 1HB ARG 33 13.815 1.615 6.410 223 2HB ARG 33 2HB ARG 33 14.173 3.287 6.799 224 1HG ARG 33 1HG ARG 33 12.629 1.290 8.522 225 2HG ARG 33 2HG ARG 33 14.306 1.805 8.745 226 1HD ARG 33 1HD ARG 33 13.430 4.183 9.015 227 2HD ARG 33 2HD ARG 33 11.797 3.477 9.079 228 HE ARG 33 HE ARG 33 13.425 2.130 10.944 229 1HH1 ARG 33 2HH2 ARG 33 11.970 5.292 10.429 230 2HH1 ARG 33 1HH2 ARG 33 11.866 5.729 12.102 231 1HH2 ARG 33 2HH1 ARG 33 13.308 2.656 13.208 232 2HH2 ARG 33 1HH1 ARG 33 12.652 4.166 13.722 233 H MET 34 H MET 34 12.522 4.589 4.267 234 HA MET 34 HA MET 34 11.948 7.028 5.815 235 1HB MET 34 1HB MET 34 13.250 6.605 3.092 236 2HB MET 34 2HB MET 34 13.063 8.163 3.905 237 1HG MET 34 1HG MET 34 14.466 7.334 5.782 238 2HG MET 34 2HG MET 34 14.751 5.836 4.892 239 1HE MET 34 1HE MET 34 16.921 7.004 1.852 240 2HE MET 34 2HE MET 34 16.204 5.626 2.717 241 3HE MET 34 3HE MET 34 15.161 6.786 1.857 242 H MET 35 H MET 35 10.458 4.928 3.599 243 HA MET 35 HA MET 35 8.778 6.973 2.321 244 1HB MET 35 1HB MET 35 9.841 5.100 1.013 245 2HB MET 35 2HB MET 35 8.837 3.953 1.915 246 1HG MET 35 1HG MET 35 6.813 4.992 1.088 247 2HG MET 35 2HG MET 35 7.728 6.287 0.306 248 1HE MET 35 1HE MET 35 5.437 4.613 -1.176 249 2HE MET 35 2HE MET 35 6.394 5.954 -1.865 250 3HE MET 35 3HE MET 35 6.243 4.414 -2.746 251 H ALA 36 H ALA 36 8.612 4.182 4.570 252 HA ALA 36 HA ALA 36 5.830 4.099 4.931 253 1HB ALA 36 1HB ALA 36 7.295 2.382 5.803 254 2HB ALA 36 2HB ALA 36 8.039 3.518 6.950 255 3HB ALA 36 3HB ALA 36 6.327 3.061 7.119 256 HA PRO 37 HA PRO 37 6.011 7.584 8.232 257 1HB PRO 37 1HB PRO 37 8.100 9.394 8.162 258 2HB PRO 37 2HB PRO 37 8.033 7.959 9.233 259 1HG PRO 37 1HG PRO 37 9.420 8.230 6.561 260 2HG PRO 37 2HG PRO 37 10.073 7.545 8.083 261 1HD PRO 37 1HD PRO 37 9.118 5.933 6.171 262 2HD PRO 37 2HD PRO 37 8.752 5.588 7.878 263 H VAL 38 H VAL 38 7.425 8.142 4.941 264 HA VAL 38 HA VAL 38 6.055 10.660 4.603 265 HB VAL 38 HB VAL 38 7.877 9.056 3.123 266 1HG1 VAL 38 1HG1 VAL 38 7.086 9.408 0.781 267 2HG1 VAL 38 2HG1 VAL 38 6.162 8.191 1.657 268 3HG1 VAL 38 3HG1 VAL 38 5.487 9.807 1.402 269 1HG2 VAL 38 1HG2 VAL 38 8.310 11.140 1.945 270 2HG2 VAL 38 2HG2 VAL 38 6.789 11.827 2.552 271 3HG2 VAL 38 3HG2 VAL 38 8.106 11.426 3.676 272 H LEU 39 H LEU 39 5.209 7.275 3.963 273 HA LEU 39 HA LEU 39 2.645 7.706 2.879 274 1HB LEU 39 1HB LEU 39 4.252 5.424 3.856 275 2HB LEU 39 2HB LEU 39 2.524 5.214 4.026 276 HG LEU 39 HG LEU 39 2.122 5.541 1.690 277 1HD1 LEU 39 1HD1 LEU 39 3.971 5.855 0.043 278 2HD1 LEU 39 2HD1 LEU 39 3.710 7.278 1.042 279 3HD1 LEU 39 3HD1 LEU 39 5.070 6.195 1.394 280 1HD2 LEU 39 1HD2 LEU 39 2.778 3.307 2.310 281 2HD2 LEU 39 2HD2 LEU 39 3.503 3.658 0.735 282 3HD2 LEU 39 3HD2 LEU 39 4.504 3.711 2.193 283 H GLU 40 H GLU 40 3.757 7.988 6.177 284 HA GLU 40 HA GLU 40 1.187 7.512 7.417 285 1HB GLU 40 1HB GLU 40 3.789 7.688 8.327 286 2HB GLU 40 2HB GLU 40 3.216 9.278 8.770 287 1HG GLU 40 1HG GLU 40 2.842 7.854 10.654 288 2HG GLU 40 2HG GLU 40 1.238 8.061 9.928 289 H GLU 41 H GLU 41 3.036 10.457 6.548 290 HA GLU 41 HA GLU 41 0.961 12.308 7.224 291 1HB GLU 41 1HB GLU 41 3.390 12.819 6.931 292 2HB GLU 41 2HB GLU 41 3.219 12.577 5.190 293 1HG GLU 41 1HG GLU 41 1.588 14.460 5.102 294 2HG GLU 41 2HG GLU 41 1.748 14.676 6.853 295 H PHE 42 H PHE 42 1.817 10.679 4.170 296 HA PHE 42 HA PHE 42 -0.209 11.658 2.422 297 1HB PHE 42 1HB PHE 42 1.627 10.249 1.665 298 2HB PHE 42 2HB PHE 42 1.152 8.999 2.778 299 HD1 PHE 42 1HD PHE 42 -0.021 10.748 -0.328 300 HD2 PHE 42 2HD PHE 42 -0.128 7.170 2.092 301 HE1 PHE 42 1HE PHE 42 -1.286 9.578 -2.099 302 HE2 PHE 42 2HE PHE 42 -1.411 6.018 0.301 303 HZ PHE 42 HZ PHE 42 -2.079 7.273 -1.740 304 H ALA 43 H ALA 43 -0.320 8.702 4.560 305 HA ALA 43 HA ALA 43 -2.976 8.075 4.002 306 1HB ALA 43 1HB ALA 43 -1.268 7.582 6.494 307 2HB ALA 43 2HB ALA 43 -2.839 6.833 6.230 308 3HB ALA 43 3HB ALA 43 -1.494 6.489 5.115 309 H GLU 44 H GLU 44 -1.698 10.023 6.729 310 HA GLU 44 HA GLU 44 -4.144 10.507 8.014 311 1HB GLU 44 1HB GLU 44 -1.901 10.955 8.948 312 2HB GLU 44 2HB GLU 44 -1.712 12.338 7.857 313 1HG GLU 44 1HG GLU 44 -3.627 13.470 8.918 314 2HG GLU 44 2HG GLU 44 -3.953 12.044 9.911 315 H ALA 45 H ALA 45 -2.589 12.365 5.365 316 HA ALA 45 HA ALA 45 -4.473 14.454 5.228 317 1HB ALA 45 1HB ALA 45 -2.264 14.455 4.102 318 2HB ALA 45 2HB ALA 45 -2.858 13.243 2.945 319 3HB ALA 45 3HB ALA 45 -3.580 14.862 2.983 320 H HIS 46 H HIS 46 -5.027 11.155 4.353 321 HA HIS 46 HA HIS 46 -7.757 11.857 3.557 322 1HB HIS 46 1HB HIS 46 -7.568 10.183 1.625 323 2HB HIS 46 2HB HIS 46 -6.910 11.790 1.376 324 HD1 HIS 46 1HD HIS 46 -5.395 8.442 2.613 325 HD2 HIS 46 2HD HIS 46 -4.617 11.813 0.208 326 HE1 HIS 46 1HE HIS 46 -3.082 8.075 1.435 327 HE2 HIS 46 2HE HIS 46 -2.733 10.287 -0.056 328 H ALA 47 H ALA 47 -7.155 10.992 5.947 329 HA ALA 47 HA ALA 47 -6.584 8.357 6.431 330 1HB ALA 47 1HB ALA 47 -6.556 10.158 8.116 331 2HB ALA 47 2HB ALA 47 -8.336 10.197 8.117 332 3HB ALA 47 3HB ALA 47 -7.473 8.754 8.690 333 H ASP 48 H ASP 48 -9.740 9.537 5.417 334 HA ASP 48 HA ASP 48 -10.684 6.728 5.583 335 1HB ASP 48 1HB ASP 48 -11.563 8.180 7.468 336 2HB ASP 48 2HB ASP 48 -12.487 9.062 6.244 337 H LYS 49 H LYS 49 -10.096 9.177 3.385 338 HA LYS 49 HA LYS 49 -12.273 8.498 1.547 339 1HB LYS 49 1HB LYS 49 -10.902 10.549 1.184 340 2HB LYS 49 2HB LYS 49 -9.479 9.523 0.928 341 1HG LYS 49 1HG LYS 49 -10.558 8.470 -1.025 342 2HG LYS 49 2HG LYS 49 -11.989 9.481 -0.812 343 1HD LYS 49 1HD LYS 49 -9.245 10.736 -1.155 344 2HD LYS 49 2HD LYS 49 -10.047 10.024 -2.543 345 1HE LYS 49 1HE LYS 49 -11.352 12.192 -0.853 346 2HE LYS 49 2HE LYS 49 -10.329 12.489 -2.272 347 1HZ LYS 49 1HZ LYS 49 -12.316 12.414 -3.288 348 2HZ LYS 49 2HZ LYS 49 -11.872 10.957 -3.507 349 3HZ LYS 49 3HZ LYS 49 -12.979 11.223 -2.286 350 H VAL 50 H VAL 50 -9.206 7.055 2.589 351 HA VAL 50 HA VAL 50 -9.708 4.739 0.785 352 HB VAL 50 HB VAL 50 -7.256 4.487 0.567 353 1HG1 VAL 50 1HG1 VAL 50 -8.201 7.240 -0.338 354 2HG1 VAL 50 2HG1 VAL 50 -6.887 6.274 -1.043 355 3HG1 VAL 50 3HG1 VAL 50 -8.560 5.719 -1.166 356 1HG2 VAL 50 1HG2 VAL 50 -7.023 7.247 1.806 357 2HG2 VAL 50 2HG2 VAL 50 -6.609 5.746 2.657 358 3HG2 VAL 50 3HG2 VAL 50 -5.706 6.217 1.207 359 H THR 51 H THR 51 -8.685 2.733 1.568 360 HA THR 51 HA THR 51 -8.800 2.504 4.471 361 HB THR 51 HB THR 51 -9.523 0.667 2.283 362 HG1 THR 51 1HG THR 51 -11.473 0.807 3.097 363 1HG2 THR 51 1HG2 THR 51 -9.261 -0.060 5.228 364 2HG2 THR 51 2HG2 THR 51 -10.116 -1.028 4.007 365 3HG2 THR 51 3HG2 THR 51 -8.378 -0.800 3.870 366 H VAL 52 H VAL 52 -6.710 3.079 4.972 367 HA VAL 52 HA VAL 52 -4.426 2.127 3.492 368 HB VAL 52 HB VAL 52 -4.472 3.340 6.212 369 1HG1 VAL 52 1HG1 VAL 52 -2.229 2.564 5.633 370 2HG1 VAL 52 2HG1 VAL 52 -2.312 3.429 4.080 371 3HG1 VAL 52 3HG1 VAL 52 -2.281 4.309 5.618 372 1HG2 VAL 52 1HG2 VAL 52 -4.197 5.561 5.038 373 2HG2 VAL 52 2HG2 VAL 52 -4.518 4.739 3.500 374 3HG2 VAL 52 3HG2 VAL 52 -5.769 4.849 4.769 375 H ALA 53 H ALA 53 -2.682 0.697 4.280 376 HA ALA 53 HA ALA 53 -3.063 -0.782 6.747 377 1HB ALA 53 1HB ALA 53 -2.752 -2.930 5.584 378 2HB ALA 53 2HB ALA 53 -4.234 -2.135 4.976 379 3HB ALA 53 3HB ALA 53 -2.760 -2.111 4.004 380 H LYS 54 H LYS 54 -0.910 -1.714 7.323 381 HA LYS 54 HA LYS 54 1.273 -1.142 5.472 382 1HB LYS 54 1HB LYS 54 1.440 -0.325 8.413 383 2HB LYS 54 2HB LYS 54 2.680 -0.112 7.168 384 1HG LYS 54 1HG LYS 54 1.045 1.458 5.972 385 2HG LYS 54 2HG LYS 54 -0.006 1.309 7.377 386 1HD LYS 54 1HD LYS 54 1.032 3.098 8.159 387 2HD LYS 54 2HD LYS 54 2.355 2.019 8.608 388 1HE LYS 54 1HE LYS 54 3.618 2.596 6.635 389 2HE LYS 54 2HE LYS 54 2.200 3.292 5.848 390 1HZ LYS 54 1HZ LYS 54 2.151 5.013 7.550 391 2HZ LYS 54 2HZ LYS 54 3.399 4.460 8.304 392 3HZ LYS 54 3HZ LYS 54 3.644 5.038 6.764 393 H LEU 55 H LEU 55 2.568 -2.875 5.368 394 HA LEU 55 HA LEU 55 2.600 -4.766 7.666 395 1HB LEU 55 1HB LEU 55 1.999 -6.681 6.108 396 2HB LEU 55 2HB LEU 55 0.719 -5.625 6.679 397 HG LEU 55 HG LEU 55 0.519 -4.519 4.554 398 1HD1 LEU 55 1HD1 LEU 55 1.679 -5.452 2.529 399 2HD1 LEU 55 2HD1 LEU 55 2.729 -4.545 3.597 400 3HD1 LEU 55 3HD1 LEU 55 2.799 -6.318 3.621 401 1HD2 LEU 55 1HD2 LEU 55 0.690 -7.450 3.884 402 2HD2 LEU 55 2HD2 LEU 55 -0.484 -6.878 5.064 403 3HD2 LEU 55 3HD2 LEU 55 -0.512 -6.239 3.400 404 H ASN 56 H ASN 56 4.203 -6.383 7.620 405 HA ASN 56 HA ASN 56 6.593 -5.670 6.074 406 1HB ASN 56 1HB ASN 56 7.064 -6.265 8.271 407 2HB ASN 56 2HB ASN 56 5.917 -7.573 8.304 408 1HD2 ASN 56 1HD2 ASN 56 7.261 -9.282 8.835 409 2HD2 ASN 56 2HD2 ASN 56 8.503 -9.935 7.805 410 H VAL 57 H VAL 57 7.014 -6.558 4.161 411 HA VAL 57 HA VAL 57 5.041 -8.011 2.787 412 HB VAL 57 HB VAL 57 6.726 -6.451 1.879 413 1HG1 VAL 57 1HG1 VAL 57 8.652 -8.819 2.019 414 2HG1 VAL 57 2HG1 VAL 57 8.916 -7.335 1.117 415 3HG1 VAL 57 3HG1 VAL 57 8.802 -7.273 2.889 416 1HG2 VAL 57 1HG2 VAL 57 6.956 -7.447 -0.262 417 2HG2 VAL 57 2HG2 VAL 57 6.718 -9.084 0.397 418 3HG2 VAL 57 3HG2 VAL 57 5.387 -7.916 0.413 419 H ASP 58 H ASP 58 7.837 -9.189 4.560 420 HA ASP 58 HA ASP 58 7.838 -11.903 3.556 421 1HB ASP 58 1HB ASP 58 9.834 -11.513 4.464 422 2HB ASP 58 2HB ASP 58 9.297 -10.195 5.456 423 H GLU 59 H GLU 59 6.577 -10.304 6.315 424 HA GLU 59 HA GLU 59 5.303 -12.369 7.778 425 1HB GLU 59 1HB GLU 59 5.399 -10.435 8.965 426 2HB GLU 59 2HB GLU 59 5.173 -9.434 7.566 427 1HG GLU 59 1HG GLU 59 2.724 -9.825 7.622 428 2HG GLU 59 2HG GLU 59 2.950 -10.735 9.127 429 H ASN 60 H ASN 60 4.138 -10.592 4.977 430 HA ASN 60 HA ASN 60 1.541 -12.077 5.083 431 1HB ASN 60 1HB ASN 60 1.528 -9.581 5.310 432 2HB ASN 60 2HB ASN 60 2.207 -9.442 3.699 433 1HD2 ASN 60 1HD2 ASN 60 0.740 -11.035 2.055 434 2HD2 ASN 60 2HD2 ASN 60 -0.952 -10.651 2.123 435 HA PRO 61 HA PRO 61 3.645 -13.750 1.319 436 1HB PRO 61 1HB PRO 61 2.893 -16.392 1.592 437 2HB PRO 61 2HB PRO 61 4.350 -15.660 2.327 438 1HG PRO 61 1HG PRO 61 1.660 -16.159 3.612 439 2HG PRO 61 2HG PRO 61 3.288 -16.487 4.281 440 1HD PRO 61 1HD PRO 61 1.887 -14.243 4.954 441 2HD PRO 61 2HD PRO 61 3.652 -14.196 4.768 442 H GLU 62 H GLU 62 0.238 -14.220 2.478 443 HA GLU 62 HA GLU 62 -0.990 -15.084 0.188 444 1HB GLU 62 1HB GLU 62 -2.175 -14.871 2.233 445 2HB GLU 62 2HB GLU 62 -1.903 -13.125 2.311 446 1HG GLU 62 1HG GLU 62 -4.228 -13.763 1.715 447 2HG GLU 62 2HG GLU 62 -3.459 -12.726 0.518 448 H THR 63 H THR 63 -1.045 -14.407 -1.775 449 HA THR 63 HA THR 63 -1.099 -13.334 -3.677 450 HB THR 63 HB THR 63 -2.450 -11.302 -1.918 451 HG1 THR 63 1HG THR 63 -3.449 -13.439 -2.274 452 1HG2 THR 63 1HG2 THR 63 -2.387 -11.357 -4.958 453 2HG2 THR 63 2HG2 THR 63 -3.453 -10.350 -3.958 454 3HG2 THR 63 3HG2 THR 63 -1.704 -10.066 -3.933 455 H THR 64 H THR 64 0.723 -11.813 -1.246 456 HA THR 64 HA THR 64 2.534 -10.184 -2.713 457 HB THR 64 HB THR 64 3.059 -12.169 -0.466 458 HG1 THR 64 1HG THR 64 2.448 -10.701 0.863 459 1HG2 THR 64 1HG2 THR 64 4.922 -10.865 0.225 460 2HG2 THR 64 2HG2 THR 64 5.182 -11.254 -1.481 461 3HG2 THR 64 3HG2 THR 64 4.613 -9.635 -1.004 462 H SER 65 H SER 65 2.581 -13.717 -2.014 463 HA SER 65 HA SER 65 4.707 -14.321 -3.842 464 1HB SER 65 1HB SER 65 4.092 -15.682 -1.841 465 2HB SER 65 2HB SER 65 2.579 -16.148 -2.653 466 HG SER 65 HG SER 65 4.085 -16.787 -4.436 467 H GLN 66 H GLN 66 1.579 -13.295 -4.670 468 HA GLN 66 HA GLN 66 1.405 -15.071 -7.041 469 1HB GLN 66 1HB GLN 66 -0.551 -14.683 -5.376 470 2HB GLN 66 2HB GLN 66 -0.673 -13.073 -6.090 471 1HG GLN 66 1HG GLN 66 -2.256 -14.449 -7.217 472 2HG GLN 66 2HG GLN 66 -0.938 -14.188 -8.358 473 1HE2 GLN 66 1HE2 GLN 66 -2.193 -16.572 -5.909 474 2HE2 GLN 66 2HE2 GLN 66 -1.514 -17.955 -6.759 475 H PHE 67 H PHE 67 1.660 -11.580 -6.018 476 HA PHE 67 HA PHE 67 1.953 -10.832 -8.874 477 1HB PHE 67 1HB PHE 67 1.537 -9.284 -6.316 478 2HB PHE 67 2HB PHE 67 2.073 -8.495 -7.795 479 HD1 PHE 67 1HD PHE 67 -0.729 -10.212 -6.144 480 HD2 PHE 67 2HD PHE 67 0.612 -8.294 -9.755 481 HE1 PHE 67 1HE PHE 67 -3.086 -10.064 -6.939 482 HE2 PHE 67 2HE PHE 67 -1.734 -8.152 -10.553 483 HZ PHE 67 HZ PHE 67 -3.587 -9.037 -9.146 484 H GLY 68 H GLY 68 4.005 -12.264 -6.827 485 1HA GLY 68 1HA GLY 68 6.293 -12.505 -6.876 486 2HA GLY 68 2HA GLY 68 6.316 -11.440 -8.292 487 H ILE 69 H ILE 69 5.051 -10.631 -5.068 488 HA ILE 69 HA ILE 69 6.425 -8.079 -5.151 489 HB ILE 69 HB ILE 69 4.528 -9.348 -3.177 490 1HG1 ILE 69 1HG1 ILE 69 3.542 -9.019 -5.412 491 2HG1 ILE 69 2HG1 ILE 69 2.745 -8.104 -4.153 492 1HG2 ILE 69 1HG2 ILE 69 5.442 -6.451 -3.306 493 2HG2 ILE 69 2HG2 ILE 69 4.009 -7.032 -2.422 494 3HG2 ILE 69 3HG2 ILE 69 5.593 -7.591 -1.962 495 1HD1 ILE 69 1HD1 ILE 69 2.999 -6.815 -6.249 496 2HD1 ILE 69 2HD1 ILE 69 3.805 -6.032 -4.889 497 3HD1 ILE 69 3HD1 ILE 69 4.767 -6.910 -6.102 498 H MET 70 H MET 70 8.505 -9.319 -5.216 499 HA MET 70 HA MET 70 9.684 -9.448 -2.469 500 1HB MET 70 1HB MET 70 10.302 -11.135 -4.225 501 2HB MET 70 2HB MET 70 11.041 -9.835 -5.170 502 1HG MET 70 1HG MET 70 12.613 -9.377 -3.336 503 2HG MET 70 2HG MET 70 11.829 -10.588 -2.321 504 1HE MET 70 1HE MET 70 11.399 -13.149 -4.130 505 2HE MET 70 2HE MET 70 12.947 -13.968 -3.850 506 3HE MET 70 3HE MET 70 12.132 -13.136 -2.507 507 H SER 71 H SER 71 9.085 -7.287 -5.083 508 HA SER 71 HA SER 71 11.040 -5.225 -4.564 509 1HB SER 71 1HB SER 71 9.801 -5.186 -6.639 510 2HB SER 71 2HB SER 71 8.246 -5.283 -5.794 511 HG SER 71 HG SER 71 8.419 -3.206 -5.147 512 H ILE 72 H ILE 72 11.120 -3.865 -2.732 513 HA ILE 72 HA ILE 72 8.736 -2.779 -1.815 514 HB ILE 72 HB ILE 72 9.499 -2.893 0.553 515 1HG1 ILE 72 1HG1 ILE 72 11.336 -5.100 -0.444 516 2HG1 ILE 72 2HG1 ILE 72 11.770 -3.586 0.360 517 1HG2 ILE 72 1HG2 ILE 72 8.232 -4.837 1.035 518 2HG2 ILE 72 2HG2 ILE 72 7.617 -4.232 -0.501 519 3HG2 ILE 72 3HG2 ILE 72 8.714 -5.623 -0.488 520 1HD1 ILE 72 1HD1 ILE 72 10.156 -4.569 2.270 521 2HD1 ILE 72 2HD1 ILE 72 10.636 -6.099 1.497 522 3HD1 ILE 72 3HD1 ILE 72 11.863 -5.000 2.134 523 HA PRO 73 HA PRO 73 8.585 -0.966 -0.014 524 1HB PRO 73 1HB PRO 73 8.084 1.635 -0.574 525 2HB PRO 73 2HB PRO 73 9.105 1.105 0.768 526 1HG PRO 73 1HG PRO 73 9.974 2.074 -1.966 527 2HG PRO 73 2HG PRO 73 10.687 2.487 -0.377 528 1HD PRO 73 1HD PRO 73 11.763 0.582 -2.035 529 2HD PRO 73 2HD PRO 73 11.822 0.419 -0.256 530 H THR 74 H THR 74 6.773 -1.540 -0.940 531 HA THR 74 HA THR 74 6.079 -0.614 -3.689 532 HB THR 74 HB THR 74 5.680 -3.389 -2.499 533 HG1 THR 74 1HG THR 74 7.381 -3.870 -3.493 534 1HG2 THR 74 1HG2 THR 74 4.820 -4.005 -4.748 535 2HG2 THR 74 2HG2 THR 74 3.736 -2.901 -3.893 536 3HG2 THR 74 3HG2 THR 74 4.786 -2.290 -5.190 537 H LEU 75 H LEU 75 3.871 -0.171 -4.010 538 HA LEU 75 HA LEU 75 2.059 -0.034 -1.672 539 1HB LEU 75 1HB LEU 75 3.210 2.077 -1.895 540 2HB LEU 75 2HB LEU 75 2.808 2.187 -3.575 541 HG LEU 75 HG LEU 75 0.445 1.675 -1.791 542 1HD1 LEU 75 1HD1 LEU 75 0.291 4.089 -1.130 543 2HD1 LEU 75 2HD1 LEU 75 1.538 3.157 -0.298 544 3HD1 LEU 75 3HD1 LEU 75 1.991 4.275 -1.606 545 1HD2 LEU 75 1HD2 LEU 75 0.955 3.709 -3.974 546 2HD2 LEU 75 2HD2 LEU 75 0.312 2.072 -4.239 547 3HD2 LEU 75 3HD2 LEU 75 -0.616 3.225 -3.286 548 H ILE 76 H ILE 76 0.024 -0.753 -2.295 549 HA ILE 76 HA ILE 76 -0.612 -0.793 -5.174 550 HB ILE 76 HB ILE 76 -1.201 -3.079 -3.260 551 1HG1 ILE 76 1HG1 ILE 76 0.934 -2.830 -5.429 552 2HG1 ILE 76 2HG1 ILE 76 1.165 -3.191 -3.717 553 1HG2 ILE 76 1HG2 ILE 76 -2.899 -2.769 -5.060 554 2HG2 ILE 76 2HG2 ILE 76 -1.612 -2.785 -6.291 555 3HG2 ILE 76 3HG2 ILE 76 -2.001 -4.233 -5.357 556 1HD1 ILE 76 1HD1 ILE 76 0.094 -5.030 -5.871 557 2HD1 ILE 76 2HD1 ILE 76 1.527 -5.217 -4.858 558 3HD1 ILE 76 3HD1 ILE 76 -0.087 -5.382 -4.136 559 H LEU 77 H LEU 77 -2.753 -0.341 -5.525 560 HA LEU 77 HA LEU 77 -4.417 0.301 -3.148 561 1HB LEU 77 1HB LEU 77 -3.672 2.240 -4.635 562 2HB LEU 77 2HB LEU 77 -4.732 1.591 -5.889 563 HG LEU 77 HG LEU 77 -5.683 2.266 -3.082 564 1HD1 LEU 77 1HD1 LEU 77 -6.411 4.462 -3.916 565 2HD1 LEU 77 2HD1 LEU 77 -4.669 4.275 -3.920 566 3HD1 LEU 77 3HD1 LEU 77 -5.556 4.143 -5.451 567 1HD2 LEU 77 1HD2 LEU 77 -7.134 2.109 -5.762 568 2HD2 LEU 77 2HD2 LEU 77 -7.345 0.998 -4.384 569 3HD2 LEU 77 3HD2 LEU 77 -7.870 2.661 -4.257 570 H PHE 78 H PHE 78 -6.408 -0.788 -3.142 571 HA PHE 78 HA PHE 78 -7.076 -2.609 -5.386 572 1HB PHE 78 1HB PHE 78 -7.090 -3.374 -2.436 573 2HB PHE 78 2HB PHE 78 -7.623 -4.376 -3.760 574 HD1 PHE 78 1HD PHE 78 -6.106 -5.720 -5.045 575 HD2 PHE 78 2HD PHE 78 -4.681 -3.080 -1.945 576 HE1 PHE 78 1HE PHE 78 -3.969 -6.961 -4.975 577 HE2 PHE 78 2HE PHE 78 -2.580 -4.382 -1.820 578 HZ PHE 78 HZ PHE 78 -2.210 -6.310 -3.355 579 H LYS 79 H LYS 79 -9.301 -3.494 -5.123 580 HA LYS 79 HA LYS 79 -10.917 -2.650 -2.931 581 1HB LYS 79 1HB LYS 79 -12.490 -1.331 -3.815 582 2HB LYS 79 2HB LYS 79 -11.199 -0.806 -4.851 583 1HG LYS 79 1HG LYS 79 -13.586 -2.569 -5.479 584 2HG LYS 79 2HG LYS 79 -13.191 -0.984 -6.111 585 1HD LYS 79 1HD LYS 79 -12.156 -3.668 -6.957 586 2HD LYS 79 2HD LYS 79 -12.835 -2.388 -7.924 587 1HE LYS 79 1HE LYS 79 -10.834 -1.107 -7.898 588 2HE LYS 79 2HE LYS 79 -10.197 -1.958 -6.506 589 1HZ LYS 79 1HZ LYS 79 -10.643 -3.466 -9.017 590 2HZ LYS 79 2HZ LYS 79 -9.212 -2.680 -8.722 591 3HZ LYS 79 3HZ LYS 79 -9.727 -3.818 -7.698 592 H GLY 80 H GLY 80 -12.778 -4.222 -2.793 593 1HA GLY 80 1HA GLY 80 -13.697 -6.285 -3.034 594 2HA GLY 80 2HA GLY 80 -13.824 -5.805 -4.705 595 H GLY 81 H GLY 81 -10.841 -6.629 -2.907 596 1HA GLY 81 1HA GLY 81 -9.309 -8.372 -3.112 597 2HA GLY 81 2HA GLY 81 -10.527 -9.294 -3.962 598 H GLU 82 H GLU 82 -9.698 -6.177 -5.341 599 HA GLU 82 HA GLU 82 -8.028 -7.475 -7.447 600 1HB GLU 82 1HB GLU 82 -10.428 -7.506 -8.059 601 2HB GLU 82 2HB GLU 82 -10.540 -5.778 -7.731 602 1HG GLU 82 1HG GLU 82 -8.749 -5.483 -9.590 603 2HG GLU 82 2HG GLU 82 -9.075 -7.166 -10.003 604 HA PRO 83 HA PRO 83 -5.788 -3.656 -6.647 605 1HB PRO 83 1HB PRO 83 -3.987 -3.607 -8.704 606 2HB PRO 83 2HB PRO 83 -3.908 -4.760 -7.339 607 1HG PRO 83 1HG PRO 83 -5.127 -5.214 -10.083 608 2HG PRO 83 2HG PRO 83 -3.953 -6.254 -9.208 609 1HD PRO 83 1HD PRO 83 -6.626 -6.755 -9.153 610 2HD PRO 83 2HD PRO 83 -5.614 -7.006 -7.697 611 H VAL 84 H VAL 84 -5.322 -1.537 -7.588 612 HA VAL 84 HA VAL 84 -6.806 -0.794 -10.066 613 HB VAL 84 HB VAL 84 -6.582 1.330 -8.072 614 1HG1 VAL 84 1HG1 VAL 84 -7.767 1.555 -10.251 615 2HG1 VAL 84 2HG1 VAL 84 -8.909 0.289 -9.747 616 3HG1 VAL 84 3HG1 VAL 84 -8.852 1.843 -8.884 617 1HG2 VAL 84 1HG2 VAL 84 -7.262 -0.302 -6.443 618 2HG2 VAL 84 2HG2 VAL 84 -8.701 0.622 -6.868 619 3HG2 VAL 84 3HG2 VAL 84 -8.444 -0.997 -7.548 620 H LYS 85 H LYS 85 -3.835 -0.812 -8.467 621 HA LYS 85 HA LYS 85 -2.248 -0.704 -10.523 622 1HB LYS 85 1HB LYS 85 -1.165 1.420 -10.759 623 2HB LYS 85 2HB LYS 85 -2.846 1.582 -11.178 624 1HG LYS 85 1HG LYS 85 -3.175 2.467 -8.722 625 2HG LYS 85 2HG LYS 85 -1.410 2.510 -8.658 626 1HD LYS 85 1HD LYS 85 -1.615 4.594 -9.484 627 2HD LYS 85 2HD LYS 85 -1.838 3.835 -11.043 628 1HE LYS 85 1HE LYS 85 -4.083 4.603 -9.105 629 2HE LYS 85 2HE LYS 85 -3.548 5.583 -10.457 630 1HZ LYS 85 1HZ LYS 85 -5.479 4.402 -11.029 631 2HZ LYS 85 2HZ LYS 85 -4.257 3.845 -11.950 632 3HZ LYS 85 3HZ LYS 85 -4.810 2.906 -10.700 633 H GLN 86 H GLN 86 0.056 -0.080 -9.902 634 HA GLN 86 HA GLN 86 0.607 -0.561 -7.050 635 1HB GLN 86 1HB GLN 86 0.753 -2.724 -8.032 636 2HB GLN 86 2HB GLN 86 1.628 -2.130 -9.448 637 1HG GLN 86 1HG GLN 86 3.625 -1.714 -8.184 638 2HG GLN 86 2HG GLN 86 2.814 -2.002 -6.645 639 1HE2 GLN 86 1HE2 GLN 86 5.237 -3.394 -7.642 640 2HE2 GLN 86 2HE2 GLN 86 4.743 -5.079 -7.781 641 H LEU 87 H LEU 87 2.406 0.489 -6.341 642 HA LEU 87 HA LEU 87 3.986 2.224 -8.119 643 1HB LEU 87 1HB LEU 87 2.500 2.654 -5.531 644 2HB LEU 87 2HB LEU 87 4.091 3.390 -5.645 645 HG LEU 87 HG LEU 87 2.408 4.987 -6.150 646 1HD1 LEU 87 1HD1 LEU 87 3.301 5.852 -8.149 647 2HD1 LEU 87 2HD1 LEU 87 4.597 4.856 -7.463 648 3HD1 LEU 87 3HD1 LEU 87 3.631 4.241 -8.821 649 1HD2 LEU 87 1HD2 LEU 87 0.631 3.370 -6.897 650 2HD2 LEU 87 2HD2 LEU 87 0.785 4.822 -7.911 651 3HD2 LEU 87 3HD2 LEU 87 1.442 3.281 -8.473 652 H ILE 88 H ILE 88 6.208 2.242 -7.544 653 HA ILE 88 HA ILE 88 7.157 0.376 -5.500 654 HB ILE 88 HB ILE 88 8.717 -0.548 -7.297 655 1HG1 ILE 88 1HG1 ILE 88 7.920 1.039 -9.164 656 2HG1 ILE 88 2HG1 ILE 88 8.239 -0.650 -9.527 657 1HG2 ILE 88 1HG2 ILE 88 5.819 -1.428 -7.319 658 2HG2 ILE 88 2HG2 ILE 88 7.235 -2.405 -7.811 659 3HG2 ILE 88 3HG2 ILE 88 7.052 -1.858 -6.137 660 1HD1 ILE 88 1HD1 ILE 88 5.442 0.506 -9.216 661 2HD1 ILE 88 2HD1 ILE 88 6.289 0.196 -10.732 662 3HD1 ILE 88 3HD1 ILE 88 5.866 -1.156 -9.680 663 H GLY 89 H GLY 89 8.946 1.156 -4.574 664 1HA GLY 89 1HA GLY 89 11.005 2.299 -4.456 665 2HA GLY 89 2HA GLY 89 10.648 3.150 -5.969 666 H TYR 90 H TYR 90 11.632 4.557 -3.865 667 HA TYR 90 HA TYR 90 9.611 5.626 -2.122 668 1HB TYR 90 1HB TYR 90 11.923 5.202 -1.436 669 2HB TYR 90 2HB TYR 90 12.475 6.434 -2.560 670 HD1 TYR 90 1HD TYR 90 13.670 7.254 -0.491 671 HD2 TYR 90 2HD TYR 90 9.359 7.396 -0.849 672 HE1 TYR 90 1HE TYR 90 13.550 8.876 1.383 673 HE2 TYR 90 2HE TYR 90 9.258 8.969 1.012 674 HH TYR 90 HH TYR 90 10.833 9.280 3.153 675 H GLN 91 H GLN 91 8.246 6.216 -4.088 676 HA GLN 91 HA GLN 91 8.928 8.744 -5.350 677 1HB GLN 91 1HB GLN 91 6.058 7.844 -5.243 678 2HB GLN 91 2HB GLN 91 6.940 8.663 -6.490 679 1HG GLN 91 1HG GLN 91 7.276 5.710 -5.826 680 2HG GLN 91 2HG GLN 91 6.308 6.380 -7.121 681 1HE2 GLN 91 1HE2 GLN 91 7.322 7.522 -8.866 682 2HE2 GLN 91 2HE2 GLN 91 9.018 7.151 -9.272 683 HA PRO 92 HA PRO 92 7.477 11.167 -1.762 684 1HB PRO 92 1HB PRO 92 7.483 13.686 -2.864 685 2HB PRO 92 2HB PRO 92 8.977 12.818 -2.401 686 1HG PRO 92 1HG PRO 92 7.691 12.974 -5.145 687 2HG PRO 92 2HG PRO 92 9.405 13.279 -4.710 688 1HD PRO 92 1HD PRO 92 8.600 10.870 -5.675 689 2HD PRO 92 2HD PRO 92 9.826 10.968 -4.382 690 H LYS 93 H LYS 93 5.588 12.852 -1.397 691 HA LYS 93 HA LYS 93 3.215 11.465 -2.043 692 1HB LYS 93 1HB LYS 93 3.956 14.071 -0.690 693 2HB LYS 93 2HB LYS 93 2.344 13.945 -1.340 694 1HG LYS 93 1HG LYS 93 2.015 13.181 0.819 695 2HG LYS 93 2HG LYS 93 2.125 11.703 -0.121 696 1HD LYS 93 1HD LYS 93 3.634 11.043 1.404 697 2HD LYS 93 2HD LYS 93 4.793 12.075 0.589 698 1HE LYS 93 1HE LYS 93 2.993 12.876 2.924 699 2HE LYS 93 2HE LYS 93 4.685 12.425 3.077 700 1HZ LYS 93 1HZ LYS 93 5.284 14.381 1.819 701 2HZ LYS 93 2HZ LYS 93 3.691 14.756 1.553 702 3HZ LYS 93 3HZ LYS 93 4.292 14.803 3.073 703 H GLU 94 H GLU 94 4.575 14.494 -3.304 704 HA GLU 94 HA GLU 94 2.422 15.113 -4.985 705 1HB GLU 94 1HB GLU 94 5.342 15.898 -5.412 706 2HB GLU 94 2HB GLU 94 3.901 16.759 -5.960 707 1HG GLU 94 1HG GLU 94 4.273 18.000 -4.109 708 2HG GLU 94 2HG GLU 94 3.340 16.754 -3.316 709 H GLN 95 H GLN 95 4.646 12.577 -5.421 710 HA GLN 95 HA GLN 95 4.190 12.387 -8.355 711 1HB GLN 95 1HB GLN 95 6.530 12.157 -7.147 712 2HB GLN 95 2HB GLN 95 5.959 10.612 -6.599 713 1HG GLN 95 1HG GLN 95 6.448 11.512 -9.454 714 2HG GLN 95 2HG GLN 95 7.383 10.357 -8.506 715 1HE2 GLN 95 1HE2 GLN 95 4.466 10.767 -10.499 716 2HE2 GLN 95 2HE2 GLN 95 4.177 9.050 -10.684 717 H LEU 96 H LEU 96 4.154 10.517 -5.335 718 HA LEU 96 HA LEU 96 2.776 8.217 -6.157 719 1HB LEU 96 1HB LEU 96 4.147 8.811 -4.103 720 2HB LEU 96 2HB LEU 96 2.672 9.467 -3.436 721 HG LEU 96 HG LEU 96 2.695 6.638 -4.527 722 1HD1 LEU 96 1HD1 LEU 96 3.679 7.471 -1.769 723 2HD1 LEU 96 2HD1 LEU 96 3.457 5.802 -2.356 724 3HD1 LEU 96 3HD1 LEU 96 4.682 6.841 -3.090 725 1HD2 LEU 96 1HD2 LEU 96 1.243 7.925 -2.170 726 2HD2 LEU 96 2HD2 LEU 96 0.524 7.629 -3.766 727 3HD2 LEU 96 3HD2 LEU 96 1.017 6.266 -2.751 728 H GLU 97 H GLU 97 1.403 11.075 -4.452 729 HA GLU 97 HA GLU 97 -1.287 10.158 -4.732 730 1HB GLU 97 1HB GLU 97 -0.210 11.752 -2.997 731 2HB GLU 97 2HB GLU 97 -0.409 13.011 -4.213 732 1HG GLU 97 1HG GLU 97 -2.756 12.955 -4.077 733 2HG GLU 97 2HG GLU 97 -2.796 11.265 -3.572 734 H ALA 98 H ALA 98 0.896 11.798 -6.960 735 HA ALA 98 HA ALA 98 -1.327 12.854 -8.584 736 1HB ALA 98 1HB ALA 98 1.617 12.496 -9.291 737 2HB ALA 98 2HB ALA 98 0.387 13.303 -10.277 738 3HB ALA 98 3HB ALA 98 0.839 13.983 -8.705 739 H GLN 99 H GLN 99 0.966 10.100 -8.671 740 HA GLN 99 HA GLN 99 -0.096 8.775 -10.931 741 1HB GLN 99 1HB GLN 99 2.072 8.390 -9.328 742 2HB GLN 99 2HB GLN 99 1.001 7.228 -8.563 743 1HG GLN 99 1HG GLN 99 2.297 6.056 -10.210 744 2HG GLN 99 2HG GLN 99 0.662 6.170 -10.860 745 1HE2 GLN 99 1HE2 GLN 99 0.541 6.971 -12.998 746 2HE2 GLN 99 2HE2 GLN 99 1.840 7.895 -13.741 747 H LEU 100 H LEU 100 -1.072 8.746 -7.588 748 HA LEU 100 HA LEU 100 -3.103 6.662 -7.959 749 1HB LEU 100 1HB LEU 100 -1.335 7.408 -5.924 750 2HB LEU 100 2HB LEU 100 -2.870 8.024 -5.365 751 HG LEU 100 HG LEU 100 -3.763 5.643 -5.722 752 1HD1 LEU 100 1HD1 LEU 100 -2.065 3.840 -5.914 753 2HD1 LEU 100 2HD1 LEU 100 -1.994 4.887 -7.331 754 3HD1 LEU 100 3HD1 LEU 100 -0.780 5.060 -6.050 755 1HD2 LEU 100 1HD2 LEU 100 -1.374 6.118 -3.862 756 2HD2 LEU 100 2HD2 LEU 100 -3.097 6.376 -3.496 757 3HD2 LEU 100 3HD2 LEU 100 -2.474 4.740 -3.738 758 H ALA 101 H ALA 101 -3.136 9.915 -8.627 759 HA ALA 101 HA ALA 101 -5.162 11.011 -7.086 760 1HB ALA 101 1HB ALA 101 -3.675 12.334 -8.550 761 2HB ALA 101 2HB ALA 101 -4.451 11.637 -9.990 762 3HB ALA 101 3HB ALA 101 -5.373 12.689 -8.894 763 H ASP 102 H ASP 102 -5.550 8.789 -9.840 764 HA ASP 102 HA ASP 102 -8.307 9.491 -10.418 765 1HB ASP 102 1HB ASP 102 -8.248 7.420 -11.757 766 2HB ASP 102 2HB ASP 102 -6.786 8.359 -12.057 767 H VAL 103 H VAL 103 -6.840 7.763 -7.803 768 HA VAL 103 HA VAL 103 -9.581 6.972 -6.959 769 HB VAL 103 HB VAL 103 -7.593 5.337 -5.680 770 1HG1 VAL 103 1HG1 VAL 103 -10.030 4.958 -5.703 771 2HG1 VAL 103 2HG1 VAL 103 -9.968 4.644 -7.450 772 3HG1 VAL 103 3HG1 VAL 103 -9.150 3.545 -6.315 773 1HG2 VAL 103 1HG2 VAL 103 -6.296 5.383 -7.777 774 2HG2 VAL 103 2HG2 VAL 103 -7.031 3.796 -7.517 775 3HG2 VAL 103 3HG2 VAL 103 -7.747 4.914 -8.693 776 H LEU 104 H LEU 104 -7.311 9.220 -6.420 777 HA LEU 104 HA LEU 104 -8.249 9.491 -3.648 778 1HB LEU 104 1HB LEU 104 -5.632 10.045 -4.997 779 2HB LEU 104 2HB LEU 104 -6.182 11.240 -3.878 780 HG LEU 104 HG LEU 104 -4.749 9.756 -2.685 781 1HD1 LEU 104 1HD1 LEU 104 -7.532 8.813 -1.882 782 2HD1 LEU 104 2HD1 LEU 104 -6.088 8.900 -0.885 783 3HD1 LEU 104 3HD1 LEU 104 -6.853 10.406 -1.465 784 1HD2 LEU 104 1HD2 LEU 104 -6.462 7.373 -3.475 785 2HD2 LEU 104 2HD2 LEU 104 -4.923 7.805 -4.240 786 3HD2 LEU 104 3HD2 LEU 104 -4.978 7.371 -2.513 787 H GLN 105 H GLN 105 -8.720 10.657 -6.762 788 HA GLN 105 HA GLN 105 -9.838 13.199 -6.367 789 1HB GLN 105 2HB GLN 105 -9.542 12.027 -8.520 790 2HB GLN 105 3HB GLN 105 -10.757 10.855 -8.037 791 1HG GLN 105 2HG GLN 105 -12.475 12.648 -7.959 792 2HG GLN 105 3HG GLN 105 -11.248 13.850 -8.372 793 1HE2 GLN 105 1HE2 GLN 105 -9.842 12.793 -10.491 794 2HE2 GLN 105 2HE2 GLN 105 -10.965 12.445 -11.805 Start of MODEL 12 1 1H ALA 1 H ALA 1 -8.838 6.184 6.634 2 2H ALA 1 2HN ALA 1 -9.591 4.853 6.088 3 3H ALA 1 3HN ALA 1 -10.376 5.894 7.130 4 HA ALA 1 HA ALA 1 -8.993 5.415 8.913 5 1HB ALA 1 1HB ALA 1 -10.946 3.946 8.577 6 2HB ALA 1 2HB ALA 1 -9.963 2.844 7.588 7 3HB ALA 1 3HB ALA 1 -9.605 3.057 9.315 8 H THR 2 H THR 2 -7.368 3.593 9.804 9 HA THR 2 HA THR 2 -5.764 2.375 7.819 10 HB THR 2 HB THR 2 -4.365 4.273 9.753 11 HG1 THR 2 1HG THR 2 -5.449 4.666 7.340 12 1HG2 THR 2 1HG2 THR 2 -3.300 2.368 7.610 13 2HG2 THR 2 2HG2 THR 2 -2.346 3.694 8.304 14 3HG2 THR 2 3HG2 THR 2 -2.907 2.377 9.337 15 H MET 3 H MET 3 -4.541 0.592 8.770 16 HA MET 3 HA MET 3 -4.398 0.312 11.583 17 1HB MET 3 1HB MET 3 -6.745 -0.816 10.456 18 2HB MET 3 2HB MET 3 -5.657 -2.185 10.622 19 1HG MET 3 1HG MET 3 -6.416 -0.193 12.798 20 2HG MET 3 2HG MET 3 -7.076 -1.816 12.618 21 1HE MET 3 1HE MET 3 -4.950 -1.905 15.956 22 2HE MET 3 2HE MET 3 -5.771 -0.470 15.300 23 3HE MET 3 3HE MET 3 -6.576 -2.058 15.249 24 H THR 4 H THR 4 -3.564 -2.217 11.779 25 HA THR 4 HA THR 4 -1.268 -2.553 9.940 26 HB THR 4 HB THR 4 -2.009 -4.050 12.463 27 HG1 THR 4 1HG THR 4 -1.437 -1.735 12.552 28 1HG2 THR 4 1HG2 THR 4 0.596 -3.987 10.869 29 2HG2 THR 4 2HG2 THR 4 0.411 -4.705 12.482 30 3HG2 THR 4 3HG2 THR 4 -0.462 -5.396 11.117 31 H LEU 5 H LEU 5 -1.121 -4.745 8.934 32 HA LEU 5 HA LEU 5 -3.672 -6.266 8.741 33 1HB LEU 5 1HB LEU 5 -2.918 -4.509 6.805 34 2HB LEU 5 2HB LEU 5 -1.904 -5.839 6.346 35 HG LEU 5 HG LEU 5 -3.951 -7.289 6.128 36 1HD1 LEU 5 1HD1 LEU 5 -5.494 -6.037 7.633 37 2HD1 LEU 5 2HD1 LEU 5 -5.431 -4.643 6.544 38 3HD1 LEU 5 3HD1 LEU 5 -6.147 -6.169 6.002 39 1HD2 LEU 5 1HD2 LEU 5 -3.687 -4.715 4.507 40 2HD2 LEU 5 2HD2 LEU 5 -3.038 -6.315 4.125 41 3HD2 LEU 5 3HD2 LEU 5 -4.784 -6.017 4.051 42 H THR 6 H THR 6 -3.198 -8.577 7.877 43 HA THR 6 HA THR 6 -0.557 -9.537 7.967 44 HB THR 6 HB THR 6 -2.603 -10.249 10.110 45 HG1 THR 6 1HG THR 6 0.153 -9.389 10.147 46 1HG2 THR 6 1HG2 THR 6 -1.041 -12.021 10.887 47 2HG2 THR 6 2HG2 THR 6 -1.804 -12.396 9.340 48 3HG2 THR 6 3HG2 THR 6 -0.101 -11.844 9.396 49 H ASP 7 H ASP 7 -0.802 -11.716 7.284 50 HA ASP 7 HA ASP 7 -1.582 -11.894 4.750 51 1HB ASP 7 1HB ASP 7 -0.083 -13.483 5.984 52 2HB ASP 7 2HB ASP 7 -1.501 -14.334 6.572 53 H ALA 8 H ALA 8 -3.516 -13.515 7.246 54 HA ALA 8 HA ALA 8 -5.631 -14.361 5.526 55 1HB ALA 8 1HB ALA 8 -5.743 -13.681 8.502 56 2HB ALA 8 2HB ALA 8 -6.958 -14.615 7.608 57 3HB ALA 8 3HB ALA 8 -5.313 -15.263 7.802 58 H ASN 9 H ASN 9 -5.128 -11.336 7.239 59 HA ASN 9 HA ASN 9 -7.809 -10.300 6.693 60 1HB ASN 9 1HB ASN 9 -6.264 -9.823 8.752 61 2HB ASN 9 2HB ASN 9 -5.555 -8.610 7.685 62 1HD2 ASN 9 1HD2 ASN 9 -8.007 -7.750 6.320 63 2HD2 ASN 9 2HD2 ASN 9 -9.001 -6.986 7.575 64 H PHE 10 H PHE 10 -4.686 -10.392 5.072 65 HA PHE 10 HA PHE 10 -4.888 -8.074 3.453 66 1HB PHE 10 1HB PHE 10 -2.906 -9.632 3.646 67 2HB PHE 10 2HB PHE 10 -3.750 -10.760 2.599 68 HD1 PHE 10 1HD PHE 10 -1.540 -7.950 2.691 69 HD2 PHE 10 2HD PHE 10 -4.442 -9.976 0.206 70 HE1 PHE 10 1HE PHE 10 -0.547 -6.975 0.700 71 HE2 PHE 10 2HE PHE 10 -3.472 -8.888 -1.785 72 HZ PHE 10 HZ PHE 10 -1.500 -7.394 -1.553 73 H GLN 11 H GLN 11 -5.851 -11.437 2.637 74 HA GLN 11 HA GLN 11 -7.187 -10.749 0.261 75 1HB GLN 11 1HB GLN 11 -6.405 -13.012 1.036 76 2HB GLN 11 2HB GLN 11 -7.857 -13.140 2.033 77 1HG GLN 11 1HG GLN 11 -8.168 -12.435 -0.900 78 2HG GLN 11 2HG GLN 11 -7.652 -14.062 -0.493 79 1HE2 GLN 11 1HE2 GLN 11 -10.347 -11.696 0.147 80 2HE2 GLN 11 2HE2 GLN 11 -11.527 -13.002 0.351 81 H GLN 12 H GLN 12 -8.426 -10.963 3.608 82 HA GLN 12 HA GLN 12 -11.185 -10.478 2.881 83 1HB GLN 12 1HB GLN 12 -9.685 -10.280 5.531 84 2HB GLN 12 2HB GLN 12 -11.443 -10.185 5.374 85 1HG GLN 12 1HG GLN 12 -11.584 -12.456 4.547 86 2HG GLN 12 2HG GLN 12 -9.827 -12.606 4.455 87 1HE2 GLN 12 1HE2 GLN 12 -10.670 -14.625 5.805 88 2HE2 GLN 12 2HE2 GLN 12 -10.606 -14.352 7.544 89 H ALA 13 H ALA 13 -8.452 -8.284 3.332 90 HA ALA 13 HA ALA 13 -10.178 -5.970 3.628 91 1HB ALA 13 1HB ALA 13 -7.200 -6.192 3.017 92 2HB ALA 13 2HB ALA 13 -8.093 -4.684 3.297 93 3HB ALA 13 3HB ALA 13 -7.954 -5.875 4.596 94 H ILE 14 H ILE 14 -8.020 -7.318 1.060 95 HA ILE 14 HA ILE 14 -8.658 -5.366 -0.842 96 HB ILE 14 HB ILE 14 -7.652 -6.861 -2.513 97 1HG1 ILE 14 1HG1 ILE 14 -7.631 -8.966 -0.422 98 2HG1 ILE 14 2HG1 ILE 14 -8.713 -8.966 -1.804 99 1HG2 ILE 14 1HG2 ILE 14 -6.267 -5.555 -0.827 100 2HG2 ILE 14 2HG2 ILE 14 -6.081 -7.051 0.090 101 3HG2 ILE 14 3HG2 ILE 14 -5.452 -6.944 -1.555 102 1HD1 ILE 14 1HD1 ILE 14 -6.737 -9.024 -3.336 103 2HD1 ILE 14 2HD1 ILE 14 -5.697 -9.242 -1.910 104 3HD1 ILE 14 3HD1 ILE 14 -6.913 -10.460 -2.309 105 H GLN 15 H GLN 15 -10.532 -8.137 -0.024 106 HA GLN 15 HA GLN 15 -12.199 -8.213 -2.366 107 1HB GLN 15 1HB GLN 15 -13.627 -9.694 -1.119 108 2HB GLN 15 2HB GLN 15 -11.937 -10.104 -0.875 109 1HG GLN 15 1HG GLN 15 -12.949 -10.393 1.202 110 2HG GLN 15 2HG GLN 15 -12.014 -8.904 1.308 111 1HE2 GLN 15 1HE2 GLN 15 -13.139 -7.732 2.870 112 2HE2 GLN 15 2HE2 GLN 15 -14.867 -7.354 2.717 113 H GLY 16 H GLY 16 -12.082 -5.847 0.200 114 1HA GLY 16 1HA GLY 16 -14.847 -5.181 0.325 115 2HA GLY 16 2HA GLY 16 -13.464 -4.202 0.853 116 H ASP 17 H ASP 17 -15.601 -2.915 -0.233 117 HA ASP 17 HA ASP 17 -15.420 -2.620 -3.123 118 1HB ASP 17 1HB ASP 17 -17.331 -1.164 -2.822 119 2HB ASP 17 2HB ASP 17 -17.584 -2.652 -1.912 120 H GLY 18 H GLY 18 -14.772 -0.654 -0.224 121 1HA GLY 18 1HA GLY 18 -14.056 1.702 -1.638 122 2HA GLY 18 2HA GLY 18 -13.681 1.369 0.061 123 HA PRO 19 HA PRO 19 -9.836 1.256 -2.756 124 1HB PRO 19 1HB PRO 19 -8.675 3.700 -2.106 125 2HB PRO 19 2HB PRO 19 -9.766 3.384 -3.487 126 1HG PRO 19 1HG PRO 19 -10.454 4.553 -0.816 127 2HG PRO 19 2HG PRO 19 -10.988 5.093 -2.430 128 1HD PRO 19 1HD PRO 19 -12.538 3.549 -0.792 129 2HD PRO 19 2HD PRO 19 -12.567 3.354 -2.571 130 H VAL 20 H VAL 20 -8.995 -0.362 -1.618 131 HA VAL 20 HA VAL 20 -7.926 -0.029 1.112 132 HB VAL 20 HB VAL 20 -8.340 -2.344 -0.836 133 1HG1 VAL 20 1HG1 VAL 20 -6.208 -2.854 0.299 134 2HG1 VAL 20 2HG1 VAL 20 -6.905 -2.426 1.880 135 3HG1 VAL 20 3HG1 VAL 20 -7.487 -3.849 0.986 136 1HG2 VAL 20 1HG2 VAL 20 -9.334 -1.877 2.021 137 2HG2 VAL 20 2HG2 VAL 20 -10.257 -1.430 0.573 138 3HG2 VAL 20 3HG2 VAL 20 -9.866 -3.120 0.878 139 H LEU 21 H LEU 21 -5.866 0.581 1.408 140 HA LEU 21 HA LEU 21 -3.949 0.367 -0.891 141 1HB LEU 21 1HB LEU 21 -4.834 2.641 -0.297 142 2HB LEU 21 2HB LEU 21 -4.063 2.516 1.258 143 HG LEU 21 HG LEU 21 -2.515 2.236 -1.366 144 1HD1 LEU 21 1HD1 LEU 21 -3.715 4.419 -1.217 145 2HD1 LEU 21 2HD1 LEU 21 -2.957 4.680 0.372 146 3HD1 LEU 21 3HD1 LEU 21 -1.965 4.620 -1.102 147 1HD2 LEU 21 1HD2 LEU 21 -0.635 3.129 0.195 148 2HD2 LEU 21 2HD2 LEU 21 -1.711 2.761 1.530 149 3HD2 LEU 21 3HD2 LEU 21 -1.127 1.466 0.462 150 H VAL 22 H VAL 22 -2.363 -1.125 -0.500 151 HA VAL 22 HA VAL 22 -1.839 -1.842 2.343 152 HB VAL 22 HB VAL 22 -1.020 -3.228 -0.241 153 1HG1 VAL 22 1HG1 VAL 22 -0.621 -3.988 2.697 154 2HG1 VAL 22 2HG1 VAL 22 -0.266 -5.027 1.302 155 3HG1 VAL 22 3HG1 VAL 22 0.661 -3.570 1.538 156 1HG2 VAL 22 1HG2 VAL 22 -2.602 -4.992 0.524 157 2HG2 VAL 22 2HG2 VAL 22 -3.084 -3.968 1.891 158 3HG2 VAL 22 3HG2 VAL 22 -3.440 -3.466 0.225 159 H ASP 23 H ASP 23 0.007 -1.053 3.339 160 HA ASP 23 HA ASP 23 2.187 0.051 1.604 161 1HB ASP 23 1HB ASP 23 1.353 1.358 3.602 162 2HB ASP 23 2HB ASP 23 1.834 0.040 4.616 163 H PHE 24 H PHE 24 3.335 -1.692 0.835 164 HA PHE 24 HA PHE 24 3.846 -4.057 2.561 165 1HB PHE 24 1HB PHE 24 4.296 -3.428 -0.355 166 2HB PHE 24 2HB PHE 24 5.155 -4.721 0.392 167 HD1 PHE 24 1HD PHE 24 3.764 -6.449 1.750 168 HD2 PHE 24 2HD PHE 24 2.280 -4.047 -1.505 169 HE1 PHE 24 1HE PHE 24 2.385 -8.353 0.976 170 HE2 PHE 24 2HE PHE 24 0.849 -5.935 -2.234 171 HZ PHE 24 HZ PHE 24 1.041 -8.161 -1.043 172 H TRP 25 H TRP 25 5.430 -3.734 3.889 173 HA TRP 25 HA TRP 25 7.974 -2.468 2.991 174 1HB TRP 25 1HB TRP 25 8.132 -1.101 4.906 175 2HB TRP 25 2HB TRP 25 6.504 -0.849 4.303 176 HD1 TRP 25 HD TRP 25 4.537 -2.263 5.688 177 HE1 TRP 25 1HE TRP 25 4.410 -3.074 8.117 178 HE3 TRP 25 3HE TRP 25 9.379 -1.401 7.060 179 HZ2 TRP 25 2HZ TRP 25 6.293 -3.555 10.316 180 HZ3 TRP 25 3HZ TRP 25 10.186 -2.036 9.316 181 HH2 TRP 25 HH TRP 25 8.655 -3.144 10.932 182 H ALA 26 H ALA 26 9.692 -2.852 4.962 183 HA ALA 26 HA ALA 26 9.325 -5.231 6.479 184 1HB ALA 26 1HB ALA 26 11.467 -5.257 4.284 185 2HB ALA 26 2HB ALA 26 11.168 -6.523 5.493 186 3HB ALA 26 3HB ALA 26 9.977 -6.213 4.233 187 H ALA 27 H ALA 27 11.328 -5.717 7.745 188 HA ALA 27 HA ALA 27 12.195 -3.242 8.921 189 1HB ALA 27 1HB ALA 27 12.980 -6.120 9.526 190 2HB ALA 27 2HB ALA 27 13.262 -4.706 10.571 191 3HB ALA 27 3HB ALA 27 11.605 -5.231 10.230 192 H TRP 28 H TRP 28 13.510 -4.812 6.220 193 HA TRP 28 HA TRP 28 16.242 -3.785 6.863 194 1HB TRP 28 1HB TRP 28 17.196 -5.657 6.220 195 2HB TRP 28 2HB TRP 28 15.642 -6.384 6.546 196 HD1 TRP 28 HD TRP 28 18.067 -5.489 3.823 197 HE1 TRP 28 1HE TRP 28 17.314 -6.308 1.525 198 HE3 TRP 28 3HE TRP 28 13.406 -7.248 5.068 199 HZ2 TRP 28 2HZ TRP 28 14.893 -7.311 0.314 200 HZ3 TRP 28 3HZ TRP 28 11.871 -8.068 3.287 201 HH2 TRP 28 HH TRP 28 12.609 -8.023 0.916 202 H CYS 29 H CYS 29 13.635 -3.316 4.663 203 HA CYS 29 HA CYS 29 15.088 -3.160 2.218 204 1HB CYS 29 1HB CYS 29 12.854 -2.276 1.383 205 2HB CYS 29 2HB CYS 29 12.963 -3.897 2.040 206 H GLY 30 H GLY 30 16.289 -1.337 4.006 207 1HA GLY 30 1HA GLY 30 16.799 0.854 4.546 208 2HA GLY 30 2HA GLY 30 17.181 0.831 2.835 209 HA PRO 31 HA PRO 31 14.635 4.418 2.499 210 1HB PRO 31 1HB PRO 31 13.616 4.201 -0.084 211 2HB PRO 31 2HB PRO 31 15.252 4.781 0.363 212 1HG PRO 31 1HG PRO 31 14.399 2.021 -0.534 213 2HG PRO 31 2HG PRO 31 15.834 2.967 -1.051 214 1HD PRO 31 1HD PRO 31 16.039 1.018 0.807 215 2HD PRO 31 2HD PRO 31 16.955 2.541 0.997 216 H CYS 32 H CYS 32 13.080 1.314 2.123 217 HA CYS 32 HA CYS 32 10.364 2.207 2.106 218 1HB CYS 32 1HB CYS 32 9.784 0.116 3.153 219 2HB CYS 32 2HB CYS 32 11.002 -0.169 1.924 220 H ARG 33 H ARG 33 12.780 2.264 4.718 221 HA ARG 33 HA ARG 33 10.941 2.911 6.827 222 1HB ARG 33 1HB ARG 33 13.394 2.046 6.927 223 2HB ARG 33 2HB ARG 33 13.854 3.713 6.619 224 1HG ARG 33 1HG ARG 33 12.030 3.874 8.795 225 2HG ARG 33 2HG ARG 33 12.897 2.378 9.076 226 1HD ARG 33 1HD ARG 33 14.064 4.153 10.221 227 2HD ARG 33 2HD ARG 33 15.064 3.593 8.884 228 HE ARG 33 HE ARG 33 14.945 5.637 7.908 229 1HH1 ARG 33 2HH2 ARG 33 12.315 5.506 10.252 230 2HH1 ARG 33 1HH2 ARG 33 11.911 7.184 10.155 231 1HH2 ARG 33 2HH1 ARG 33 14.443 7.884 7.754 232 2HH2 ARG 33 1HH1 ARG 33 13.148 8.553 8.680 233 H MET 34 H MET 34 11.939 4.793 4.105 234 HA MET 34 HA MET 34 11.254 7.322 5.456 235 1HB MET 34 1HB MET 34 12.841 6.713 2.944 236 2HB MET 34 2HB MET 34 12.432 8.338 3.490 237 1HG MET 34 1HG MET 34 14.086 8.423 4.962 238 2HG MET 34 2HG MET 34 13.688 6.857 5.651 239 1HE MET 34 1HE MET 34 15.510 8.657 2.646 240 2HE MET 34 2HE MET 34 16.457 7.323 1.945 241 3HE MET 34 3HE MET 34 14.691 7.327 1.790 242 H MET 35 H MET 35 10.207 5.009 3.086 243 HA MET 35 HA MET 35 8.221 6.780 1.880 244 1HB MET 35 1HB MET 35 9.294 4.878 0.617 245 2HB MET 35 2HB MET 35 8.385 3.748 1.629 246 1HG MET 35 1HG MET 35 6.300 4.698 0.806 247 2HG MET 35 2HG MET 35 7.151 6.013 -0.003 248 1HE MET 35 1HE MET 35 4.991 4.616 -1.684 249 2HE MET 35 2HE MET 35 6.149 5.828 -2.297 250 3HE MET 35 3HE MET 35 5.897 4.303 -3.181 251 H ALA 36 H ALA 36 8.345 4.058 4.276 252 HA ALA 36 HA ALA 36 5.629 3.864 4.811 253 1HB ALA 36 1HB ALA 36 7.216 2.311 5.735 254 2HB ALA 36 2HB ALA 36 8.022 3.580 6.682 255 3HB ALA 36 3HB ALA 36 6.374 3.080 7.093 256 HA PRO 37 HA PRO 37 5.545 7.589 7.822 257 1HB PRO 37 1HB PRO 37 7.488 9.513 7.716 258 2HB PRO 37 2HB PRO 37 7.523 8.111 8.828 259 1HG PRO 37 1HG PRO 37 8.907 8.404 6.153 260 2HG PRO 37 2HG PRO 37 9.604 7.827 7.698 261 1HD PRO 37 1HD PRO 37 8.769 6.080 5.824 262 2HD PRO 37 2HD PRO 37 8.469 5.757 7.550 263 H VAL 38 H VAL 38 6.896 7.963 4.453 264 HA VAL 38 HA VAL 38 5.349 10.368 3.974 265 HB VAL 38 HB VAL 38 7.239 8.691 2.581 266 1HG1 VAL 38 1HG1 VAL 38 6.546 9.129 0.266 267 2HG1 VAL 38 2HG1 VAL 38 5.463 8.007 1.091 268 3HG1 VAL 38 3HG1 VAL 38 4.969 9.699 0.848 269 1HG2 VAL 38 1HG2 VAL 38 7.645 10.978 3.265 270 2HG2 VAL 38 2HG2 VAL 38 7.802 10.828 1.507 271 3HG2 VAL 38 3HG2 VAL 38 6.346 11.561 2.210 272 H LEU 39 H LEU 39 4.717 6.860 3.808 273 HA LEU 39 HA LEU 39 2.133 7.164 2.649 274 1HB LEU 39 1HB LEU 39 3.649 4.883 3.956 275 2HB LEU 39 2HB LEU 39 2.064 4.703 3.285 276 HG LEU 39 HG LEU 39 4.603 5.446 1.804 277 1HD1 LEU 39 1HD1 LEU 39 2.770 3.040 1.585 278 2HD1 LEU 39 2HD1 LEU 39 4.159 3.363 0.521 279 3HD1 LEU 39 3HD1 LEU 39 4.423 3.091 2.241 280 1HD2 LEU 39 1HD2 LEU 39 3.010 6.785 0.698 281 2HD2 LEU 39 2HD2 LEU 39 3.354 5.389 -0.302 282 3HD2 LEU 39 3HD2 LEU 39 1.834 5.436 0.628 283 H GLU 40 H GLU 40 3.387 7.427 5.900 284 HA GLU 40 HA GLU 40 0.749 7.450 7.142 285 1HB GLU 40 1HB GLU 40 3.534 7.726 7.970 286 2HB GLU 40 2HB GLU 40 2.597 8.992 8.679 287 1HG GLU 40 1HG GLU 40 2.502 7.198 10.223 288 2HG GLU 40 2HG GLU 40 0.934 7.129 9.417 289 H GLU 41 H GLU 41 3.052 9.937 5.886 290 HA GLU 41 HA GLU 41 1.334 12.190 6.156 291 1HB GLU 41 1HB GLU 41 3.893 11.944 5.540 292 2HB GLU 41 2HB GLU 41 3.308 11.809 3.893 293 1HG GLU 41 1HG GLU 41 3.806 14.039 4.033 294 2HG GLU 41 2HG GLU 41 2.078 14.082 4.370 295 H PHE 42 H PHE 42 1.219 9.534 3.996 296 HA PHE 42 HA PHE 42 -0.847 10.675 2.190 297 1HB PHE 42 1HB PHE 42 0.957 8.969 1.522 298 2HB PHE 42 2HB PHE 42 0.058 7.774 2.428 299 HD1 PHE 42 1HD PHE 42 -2.131 6.948 1.657 300 HD2 PHE 42 2HD PHE 42 0.173 9.818 -0.603 301 HE1 PHE 42 1HE PHE 42 -3.651 6.666 -0.298 302 HE2 PHE 42 2HE PHE 42 -1.281 9.433 -2.564 303 HZ PHE 42 HZ PHE 42 -3.199 7.881 -2.416 304 H ALA 43 H ALA 43 -0.719 8.179 4.843 305 HA ALA 43 HA ALA 43 -3.478 7.781 4.939 306 1HB ALA 43 1HB ALA 43 -3.082 6.891 7.188 307 2HB ALA 43 2HB ALA 43 -1.763 6.378 6.118 308 3HB ALA 43 3HB ALA 43 -1.517 7.708 7.275 309 H GLU 44 H GLU 44 -1.653 10.456 6.490 310 HA GLU 44 HA GLU 44 -3.970 11.430 7.843 311 1HB GLU 44 1HB GLU 44 -1.687 12.158 8.414 312 2HB GLU 44 2HB GLU 44 -1.581 13.061 6.889 313 1HG GLU 44 1HG GLU 44 -3.475 14.483 7.556 314 2HG GLU 44 2HG GLU 44 -3.762 13.497 8.989 315 H ALA 45 H ALA 45 -2.544 12.464 4.727 316 HA ALA 45 HA ALA 45 -3.995 14.730 4.392 317 1HB ALA 45 1HB ALA 45 -2.875 12.929 2.202 318 2HB ALA 45 2HB ALA 45 -3.272 14.648 2.020 319 3HB ALA 45 3HB ALA 45 -1.977 14.158 3.126 320 H HIS 46 H HIS 46 -5.240 11.591 3.696 321 HA HIS 46 HA HIS 46 -7.857 12.752 2.919 322 1HB HIS 46 1HB HIS 46 -7.851 10.855 1.039 323 2HB HIS 46 2HB HIS 46 -7.207 12.468 0.753 324 HD1 HIS 46 1HD HIS 46 -4.738 12.455 -0.372 325 HD2 HIS 46 2HD HIS 46 -5.644 9.184 2.221 326 HE1 HIS 46 1HE HIS 46 -2.794 10.880 -0.368 327 HE2 HIS 46 2HE HIS 46 -3.330 8.940 1.132 328 H ALA 47 H ALA 47 -6.812 11.505 5.291 329 HA ALA 47 HA ALA 47 -6.796 9.119 6.026 330 1HB ALA 47 1HB ALA 47 -6.963 10.954 7.619 331 2HB ALA 47 2HB ALA 47 -8.721 11.054 7.364 332 3HB ALA 47 3HB ALA 47 -8.007 9.611 8.111 333 H ASP 48 H ASP 48 -10.184 10.250 5.695 334 HA ASP 48 HA ASP 48 -10.927 7.375 5.606 335 1HB ASP 48 1HB ASP 48 -12.368 9.790 6.687 336 2HB ASP 48 2HB ASP 48 -13.150 8.217 6.461 337 H LYS 49 H LYS 49 -10.373 9.477 3.219 338 HA LYS 49 HA LYS 49 -12.655 8.570 1.570 339 1HB LYS 49 1HB LYS 49 -11.425 10.619 0.945 340 2HB LYS 49 2HB LYS 49 -9.926 9.692 0.766 341 1HG LYS 49 1HG LYS 49 -10.790 8.419 -1.072 342 2HG LYS 49 2HG LYS 49 -12.438 8.989 -0.811 343 1HD LYS 49 1HD LYS 49 -10.152 10.796 -1.703 344 2HD LYS 49 2HD LYS 49 -11.212 9.906 -2.803 345 1HE LYS 49 1HE LYS 49 -13.189 11.037 -1.626 346 2HE LYS 49 2HE LYS 49 -11.993 12.118 -0.874 347 1HZ LYS 49 1HZ LYS 49 -11.245 12.597 -3.219 348 2HZ LYS 49 2HZ LYS 49 -12.468 11.735 -3.786 349 3HZ LYS 49 3HZ LYS 49 -12.814 13.097 -2.941 350 H VAL 50 H VAL 50 -9.602 7.359 2.833 351 HA VAL 50 HA VAL 50 -9.766 4.973 1.050 352 HB VAL 50 HB VAL 50 -7.312 4.974 1.048 353 1HG1 VAL 50 1HG1 VAL 50 -6.922 6.840 -0.453 354 2HG1 VAL 50 2HG1 VAL 50 -8.543 6.197 -0.757 355 3HG1 VAL 50 3HG1 VAL 50 -8.349 7.704 0.161 356 1HG2 VAL 50 1HG2 VAL 50 -6.907 6.158 3.219 357 2HG2 VAL 50 2HG2 VAL 50 -5.984 6.840 1.875 358 3HG2 VAL 50 3HG2 VAL 50 -7.440 7.674 2.474 359 H THR 51 H THR 51 -8.565 2.938 2.007 360 HA THR 51 HA THR 51 -8.147 3.327 4.844 361 HB THR 51 HB THR 51 -10.180 2.084 4.701 362 HG1 THR 51 1HG THR 51 -7.949 0.637 5.691 363 1HG2 THR 51 1HG2 THR 51 -8.583 -0.198 3.510 364 2HG2 THR 51 2HG2 THR 51 -10.290 -0.199 3.994 365 3HG2 THR 51 3HG2 THR 51 -9.764 0.793 2.616 366 H VAL 52 H VAL 52 -6.082 3.559 4.985 367 HA VAL 52 HA VAL 52 -4.224 2.036 3.306 368 HB VAL 52 HB VAL 52 -3.700 3.688 5.719 369 1HG1 VAL 52 1HG1 VAL 52 -1.776 2.589 3.666 370 2HG1 VAL 52 2HG1 VAL 52 -1.359 3.875 4.816 371 3HG1 VAL 52 3HG1 VAL 52 -1.798 2.278 5.410 372 1HG2 VAL 52 1HG2 VAL 52 -3.528 4.469 2.783 373 2HG2 VAL 52 2HG2 VAL 52 -4.641 5.150 3.994 374 3HG2 VAL 52 3HG2 VAL 52 -2.913 5.460 4.122 375 H ALA 53 H ALA 53 -2.913 0.354 4.193 376 HA ALA 53 HA ALA 53 -3.547 -0.702 6.860 377 1HB ALA 53 1HB ALA 53 -3.938 -2.369 4.347 378 2HB ALA 53 2HB ALA 53 -4.104 -2.900 6.043 379 3HB ALA 53 3HB ALA 53 -5.241 -1.732 5.383 380 H LYS 54 H LYS 54 -1.555 -0.909 7.725 381 HA LYS 54 HA LYS 54 0.717 -1.039 5.839 382 1HB LYS 54 1HB LYS 54 0.225 0.316 8.332 383 2HB LYS 54 2HB LYS 54 1.424 -0.911 8.715 384 1HG LYS 54 1HG LYS 54 2.868 -0.036 6.858 385 2HG LYS 54 2HG LYS 54 1.638 1.216 6.549 386 1HD LYS 54 1HD LYS 54 1.940 2.094 8.851 387 2HD LYS 54 2HD LYS 54 3.155 0.845 9.164 388 1HE LYS 54 1HE LYS 54 4.249 2.937 8.678 389 2HE LYS 54 2HE LYS 54 4.584 1.787 7.358 390 1HZ LYS 54 1HZ LYS 54 2.446 3.834 7.260 391 2HZ LYS 54 2HZ LYS 54 3.942 4.164 6.772 392 3HZ LYS 54 3HZ LYS 54 3.152 2.956 5.960 393 H LEU 55 H LEU 55 1.976 -2.891 5.516 394 HA LEU 55 HA LEU 55 1.907 -4.923 7.660 395 1HB LEU 55 1HB LEU 55 0.263 -6.002 6.890 396 2HB LEU 55 2HB LEU 55 0.093 -5.048 5.436 397 HG LEU 55 HG LEU 55 1.991 -7.426 5.590 398 1HD1 LEU 55 1HD1 LEU 55 0.045 -8.645 4.534 399 2HD1 LEU 55 2HD1 LEU 55 -0.205 -8.205 6.226 400 3HD1 LEU 55 3HD1 LEU 55 -0.984 -7.279 4.921 401 1HD2 LEU 55 1HD2 LEU 55 2.215 -5.810 3.641 402 2HD2 LEU 55 2HD2 LEU 55 1.684 -7.435 3.169 403 3HD2 LEU 55 3HD2 LEU 55 0.513 -6.110 3.264 404 H ASN 56 H ASN 56 3.471 -6.542 7.597 405 HA ASN 56 HA ASN 56 5.869 -5.600 6.187 406 1HB ASN 56 1HB ASN 56 6.177 -6.072 8.520 407 2HB ASN 56 2HB ASN 56 5.411 -7.655 8.365 408 1HD2 ASN 56 1HD2 ASN 56 7.751 -6.547 5.804 409 2HD2 ASN 56 2HD2 ASN 56 8.879 -7.838 6.196 410 H VAL 57 H VAL 57 6.262 -6.445 4.223 411 HA VAL 57 HA VAL 57 4.648 -8.260 2.934 412 HB VAL 57 HB VAL 57 6.226 -6.553 2.049 413 1HG1 VAL 57 1HG1 VAL 57 8.306 -7.292 3.199 414 2HG1 VAL 57 2HG1 VAL 57 8.326 -8.768 2.224 415 3HG1 VAL 57 3HG1 VAL 57 8.532 -7.197 1.448 416 1HG2 VAL 57 1HG2 VAL 57 5.006 -8.109 0.581 417 2HG2 VAL 57 2HG2 VAL 57 6.555 -7.592 -0.086 418 3HG2 VAL 57 3HG2 VAL 57 6.377 -9.215 0.619 419 H ASP 58 H ASP 58 7.483 -9.104 4.939 420 HA ASP 58 HA ASP 58 7.880 -11.723 4.096 421 1HB ASP 58 1HB ASP 58 8.265 -10.163 6.645 422 2HB ASP 58 2HB ASP 58 8.999 -11.708 6.303 423 H GLU 59 H GLU 59 5.479 -10.250 6.400 424 HA GLU 59 HA GLU 59 4.889 -12.645 7.792 425 1HB GLU 59 1HB GLU 59 3.753 -11.204 9.021 426 2HB GLU 59 2HB GLU 59 4.599 -9.963 8.177 427 1HG GLU 59 1HG GLU 59 2.573 -9.798 6.605 428 2HG GLU 59 2HG GLU 59 1.744 -10.926 7.664 429 H ASN 60 H ASN 60 3.961 -11.326 4.804 430 HA ASN 60 HA ASN 60 1.434 -12.905 4.617 431 1HB ASN 60 1HB ASN 60 0.736 -10.756 4.944 432 2HB ASN 60 2HB ASN 60 2.081 -10.052 4.040 433 1HD2 ASN 60 1HD2 ASN 60 -0.309 -12.644 2.887 434 2HD2 ASN 60 2HD2 ASN 60 -0.614 -11.701 1.442 435 HA PRO 61 HA PRO 61 3.837 -14.287 0.974 436 1HB PRO 61 1HB PRO 61 3.018 -16.918 1.054 437 2HB PRO 61 2HB PRO 61 4.412 -16.271 1.971 438 1HG PRO 61 1HG PRO 61 1.573 -16.711 2.954 439 2HG PRO 61 2HG PRO 61 3.109 -17.192 3.750 440 1HD PRO 61 1HD PRO 61 1.791 -14.924 4.453 441 2HD PRO 61 2HD PRO 61 3.568 -14.946 4.399 442 H GLU 62 H GLU 62 0.327 -14.618 1.907 443 HA GLU 62 HA GLU 62 -0.370 -15.582 -0.704 444 1HB GLU 62 1HB GLU 62 -1.669 -16.115 1.327 445 2HB GLU 62 2HB GLU 62 -2.147 -14.417 1.476 446 1HG GLU 62 1HG GLU 62 -3.924 -15.810 0.464 447 2HG GLU 62 2HG GLU 62 -3.400 -14.518 -0.607 448 H THR 63 H THR 63 -1.259 -14.571 -2.372 449 HA THR 63 HA THR 63 -1.408 -13.133 -4.040 450 HB THR 63 HB THR 63 -2.045 -11.002 -1.976 451 HG1 THR 63 1HG THR 63 -3.237 -13.061 -2.061 452 1HG2 THR 63 1HG2 THR 63 -3.406 -10.027 -3.836 453 2HG2 THR 63 2HG2 THR 63 -1.673 -10.008 -4.208 454 3HG2 THR 63 3HG2 THR 63 -2.732 -11.233 -4.945 455 H THR 64 H THR 64 0.656 -12.143 -1.494 456 HA THR 64 HA THR 64 2.425 -10.349 -2.772 457 HB THR 64 HB THR 64 3.021 -12.477 -0.683 458 HG1 THR 64 1HG THR 64 2.369 -11.092 0.745 459 1HG2 THR 64 1HG2 THR 64 4.459 -9.837 -1.013 460 2HG2 THR 64 2HG2 THR 64 4.802 -11.121 0.152 461 3HG2 THR 64 3HG2 THR 64 5.118 -11.397 -1.569 462 H SER 65 H SER 65 2.787 -13.924 -2.328 463 HA SER 65 HA SER 65 5.024 -14.230 -4.027 464 1HB SER 65 1HB SER 65 4.168 -15.886 -2.360 465 2HB SER 65 2HB SER 65 2.789 -16.220 -3.420 466 HG SER 65 HG SER 65 5.545 -16.647 -3.983 467 H GLN 66 H GLN 66 1.516 -14.442 -4.753 468 HA GLN 66 HA GLN 66 1.701 -15.281 -7.404 469 1HB GLN 66 1HB GLN 66 -0.344 -15.254 -6.017 470 2HB GLN 66 2HB GLN 66 -0.404 -13.507 -6.099 471 1HG GLN 66 1HG GLN 66 -2.020 -14.534 -7.625 472 2HG GLN 66 2HG GLN 66 -0.860 -13.534 -8.483 473 1HE2 GLN 66 1HE2 GLN 66 0.943 -14.672 -9.669 474 2HE2 GLN 66 2HE2 GLN 66 0.578 -16.294 -10.290 475 H PHE 67 H PHE 67 1.903 -11.942 -6.110 476 HA PHE 67 HA PHE 67 2.227 -10.922 -8.892 477 1HB PHE 67 1HB PHE 67 1.464 -9.659 -6.265 478 2HB PHE 67 2HB PHE 67 2.068 -8.684 -7.596 479 HD1 PHE 67 1HD PHE 67 0.691 -8.039 -9.407 480 HD2 PHE 67 2HD PHE 67 -0.661 -11.078 -6.661 481 HE1 PHE 67 1HE PHE 67 -1.570 -7.952 -10.415 482 HE2 PHE 67 2HE PHE 67 -2.921 -10.986 -7.670 483 HZ PHE 67 HZ PHE 67 -3.382 -9.425 -9.551 484 H GLY 68 H GLY 68 4.348 -12.369 -6.923 485 1HA GLY 68 1HA GLY 68 6.627 -12.329 -6.818 486 2HA GLY 68 2HA GLY 68 6.608 -11.177 -8.160 487 H ILE 69 H ILE 69 5.066 -10.578 -5.036 488 HA ILE 69 HA ILE 69 6.237 -7.949 -4.988 489 HB ILE 69 HB ILE 69 4.314 -9.398 -3.170 490 1HG1 ILE 69 1HG1 ILE 69 3.476 -9.100 -5.448 491 2HG1 ILE 69 2HG1 ILE 69 2.541 -8.200 -4.277 492 1HG2 ILE 69 1HG2 ILE 69 3.549 -7.114 -2.478 493 2HG2 ILE 69 2HG2 ILE 69 5.070 -7.642 -1.800 494 3HG2 ILE 69 3HG2 ILE 69 5.066 -6.466 -3.136 495 1HD1 ILE 69 1HD1 ILE 69 4.662 -6.996 -6.117 496 2HD1 ILE 69 2HD1 ILE 69 2.903 -6.879 -6.309 497 3HD1 ILE 69 3HD1 ILE 69 3.684 -6.108 -4.931 498 H MET 70 H MET 70 8.434 -8.701 -4.849 499 HA MET 70 HA MET 70 9.312 -8.510 -1.983 500 1HB MET 70 1HB MET 70 10.616 -9.814 -4.393 501 2HB MET 70 2HB MET 70 11.512 -9.433 -2.929 502 1HG MET 70 1HG MET 70 9.016 -11.169 -2.856 503 2HG MET 70 2HG MET 70 10.616 -11.801 -3.205 504 1HE MET 70 1HE MET 70 8.066 -11.265 -0.551 505 2HE MET 70 2HE MET 70 8.956 -10.901 0.944 506 3HE MET 70 3HE MET 70 8.728 -9.638 -0.276 507 H SER 71 H SER 71 8.785 -6.679 -4.668 508 HA SER 71 HA SER 71 11.231 -5.138 -4.817 509 1HB SER 71 1HB SER 71 9.778 -5.595 -6.775 510 2HB SER 71 2HB SER 71 8.450 -4.710 -5.993 511 HG SER 71 HG SER 71 9.946 -2.930 -5.885 512 H ILE 72 H ILE 72 10.054 -5.142 -2.104 513 HA ILE 72 HA ILE 72 8.508 -2.832 -1.808 514 HB ILE 72 HB ILE 72 8.469 -3.182 0.502 515 1HG1 ILE 72 1HG1 ILE 72 10.718 -3.565 1.072 516 2HG1 ILE 72 2HG1 ILE 72 9.682 -4.809 1.751 517 1HG2 ILE 72 1HG2 ILE 72 7.468 -5.305 0.590 518 2HG2 ILE 72 2HG2 ILE 72 7.147 -4.632 -1.009 519 3HG2 ILE 72 3HG2 ILE 72 8.369 -5.903 -0.821 520 1HD1 ILE 72 1HD1 ILE 72 11.784 -5.731 1.018 521 2HD1 ILE 72 2HD1 ILE 72 10.494 -6.401 0.003 522 3HD1 ILE 72 3HD1 ILE 72 11.576 -5.118 -0.617 523 HA PRO 73 HA PRO 73 8.300 -1.082 0.282 524 1HB PRO 73 1HB PRO 73 7.879 1.522 -0.273 525 2HB PRO 73 2HB PRO 73 8.942 0.958 1.026 526 1HG PRO 73 1HG PRO 73 9.723 1.851 -1.766 527 2HG PRO 73 2HG PRO 73 10.494 2.312 -0.219 528 1HD PRO 73 1HD PRO 73 11.479 0.325 -1.837 529 2HD PRO 73 2HD PRO 73 11.612 0.229 -0.064 530 H THR 74 H THR 74 6.436 -1.672 -0.620 531 HA THR 74 HA THR 74 5.809 -0.794 -3.401 532 HB THR 74 HB THR 74 5.292 -3.531 -2.171 533 HG1 THR 74 1HG THR 74 7.353 -2.539 -3.561 534 1HG2 THR 74 1HG2 THR 74 3.437 -3.048 -3.653 535 2HG2 THR 74 2HG2 THR 74 4.526 -2.436 -4.907 536 3HG2 THR 74 3HG2 THR 74 4.548 -4.145 -4.482 537 H LEU 75 H LEU 75 3.652 -0.489 -3.849 538 HA LEU 75 HA LEU 75 1.709 -0.109 -1.610 539 1HB LEU 75 1HB LEU 75 2.895 2.009 -2.280 540 2HB LEU 75 2HB LEU 75 2.265 1.809 -3.900 541 HG LEU 75 HG LEU 75 0.283 1.655 -1.627 542 1HD1 LEU 75 1HD1 LEU 75 1.661 4.151 -2.630 543 2HD1 LEU 75 2HD1 LEU 75 0.180 4.159 -1.642 544 3HD1 LEU 75 3HD1 LEU 75 1.683 3.496 -0.973 545 1HD2 LEU 75 1HD2 LEU 75 -0.550 1.390 -3.947 546 2HD2 LEU 75 2HD2 LEU 75 -1.147 2.888 -3.239 547 3HD2 LEU 75 3HD2 LEU 75 0.195 2.931 -4.403 548 H ILE 76 H ILE 76 -0.192 -1.240 -2.250 549 HA ILE 76 HA ILE 76 -0.785 -1.186 -5.134 550 HB ILE 76 HB ILE 76 -1.313 -3.566 -3.366 551 1HG1 ILE 76 1HG1 ILE 76 0.849 -3.206 -5.466 552 2HG1 ILE 76 2HG1 ILE 76 1.044 -3.598 -3.760 553 1HG2 ILE 76 1HG2 ILE 76 -1.706 -3.129 -6.378 554 2HG2 ILE 76 2HG2 ILE 76 -2.067 -4.637 -5.525 555 3HG2 ILE 76 3HG2 ILE 76 -3.007 -3.211 -5.167 556 1HD1 ILE 76 1HD1 ILE 76 0.063 -5.413 -5.972 557 2HD1 ILE 76 2HD1 ILE 76 1.446 -5.604 -4.888 558 3HD1 ILE 76 3HD1 ILE 76 -0.195 -5.790 -4.250 559 H LEU 77 H LEU 77 -2.872 -0.728 -5.516 560 HA LEU 77 HA LEU 77 -4.588 -0.070 -3.177 561 1HB LEU 77 1HB LEU 77 -3.739 1.841 -4.602 562 2HB LEU 77 2HB LEU 77 -4.673 1.188 -5.923 563 HG LEU 77 HG LEU 77 -5.958 2.921 -5.043 564 1HD1 LEU 77 1HD1 LEU 77 -7.348 0.748 -5.180 565 2HD1 LEU 77 2HD1 LEU 77 -7.228 0.684 -3.420 566 3HD1 LEU 77 3HD1 LEU 77 -8.005 2.050 -4.210 567 1HD2 LEU 77 1HD2 LEU 77 -4.650 3.196 -2.942 568 2HD2 LEU 77 2HD2 LEU 77 -6.393 3.369 -2.700 569 3HD2 LEU 77 3HD2 LEU 77 -5.577 1.864 -2.230 570 H PHE 78 H PHE 78 -6.231 -1.396 -3.030 571 HA PHE 78 HA PHE 78 -7.085 -3.127 -5.304 572 1HB PHE 78 1HB PHE 78 -6.974 -3.699 -2.320 573 2HB PHE 78 2HB PHE 78 -7.693 -4.762 -3.506 574 HD1 PHE 78 1HD PHE 78 -6.353 -6.119 -5.025 575 HD2 PHE 78 2HD PHE 78 -4.541 -3.601 -2.032 576 HE1 PHE 78 1HE PHE 78 -4.269 -7.446 -5.181 577 HE2 PHE 78 2HE PHE 78 -2.500 -5.004 -2.106 578 HZ PHE 78 HZ PHE 78 -2.347 -6.908 -3.711 579 H LYS 79 H LYS 79 -9.226 -3.916 -5.264 580 HA LYS 79 HA LYS 79 -11.052 -3.457 -3.215 581 1HB LYS 79 1HB LYS 79 -12.837 -2.368 -4.776 582 2HB LYS 79 2HB LYS 79 -11.728 -1.394 -3.844 583 1HG LYS 79 1HG LYS 79 -12.123 -0.441 -5.997 584 2HG LYS 79 2HG LYS 79 -10.428 -0.794 -5.781 585 1HD LYS 79 1HD LYS 79 -12.185 -2.751 -7.314 586 2HD LYS 79 2HD LYS 79 -11.670 -1.230 -8.057 587 1HE LYS 79 1HE LYS 79 -9.273 -1.862 -7.338 588 2HE LYS 79 2HE LYS 79 -9.905 -3.476 -7.056 589 1HZ LYS 79 1HZ LYS 79 -10.550 -3.628 -9.395 590 2HZ LYS 79 2HZ LYS 79 -10.088 -2.083 -9.664 591 3HZ LYS 79 3HZ LYS 79 -8.970 -3.229 -9.296 592 H GLY 80 H GLY 80 -12.985 -4.785 -3.604 593 1HA GLY 80 1HA GLY 80 -14.130 -6.590 -4.419 594 2HA GLY 80 2HA GLY 80 -13.691 -6.012 -6.026 595 H GLY 81 H GLY 81 -10.985 -6.908 -4.025 596 1HA GLY 81 1HA GLY 81 -9.888 -8.978 -3.793 597 2HA GLY 81 2HA GLY 81 -10.829 -9.662 -5.116 598 H GLU 82 H GLU 82 -9.928 -6.683 -6.404 599 HA GLU 82 HA GLU 82 -7.460 -7.785 -7.566 600 1HB GLU 82 1HB GLU 82 -8.415 -6.685 -9.629 601 2HB GLU 82 2HB GLU 82 -9.233 -8.163 -9.085 602 1HG GLU 82 1HG GLU 82 -11.136 -6.956 -8.331 603 2HG GLU 82 2HG GLU 82 -10.242 -5.435 -8.301 604 HA PRO 83 HA PRO 83 -5.888 -3.659 -6.855 605 1HB PRO 83 1HB PRO 83 -3.913 -3.397 -8.691 606 2HB PRO 83 2HB PRO 83 -3.827 -4.588 -7.357 607 1HG PRO 83 1HG PRO 83 -4.726 -5.081 -10.214 608 2HG PRO 83 2HG PRO 83 -3.515 -6.003 -9.261 609 1HD PRO 83 1HD PRO 83 -6.125 -6.791 -9.461 610 2HD PRO 83 2HD PRO 83 -5.186 -7.027 -7.956 611 H VAL 84 H VAL 84 -5.802 -1.462 -7.825 612 HA VAL 84 HA VAL 84 -6.908 -1.195 -10.591 613 HB VAL 84 HB VAL 84 -6.748 1.352 -9.721 614 1HG1 VAL 84 1HG1 VAL 84 -9.233 -0.300 -9.219 615 2HG1 VAL 84 2HG1 VAL 84 -9.139 1.431 -9.560 616 3HG1 VAL 84 3HG1 VAL 84 -8.711 0.272 -10.825 617 1HG2 VAL 84 1HG2 VAL 84 -7.755 1.657 -7.537 618 2HG2 VAL 84 2HG2 VAL 84 -7.698 -0.088 -7.243 619 3HG2 VAL 84 3HG2 VAL 84 -6.189 0.842 -7.425 620 H LYS 85 H LYS 85 -4.169 -0.538 -8.343 621 HA LYS 85 HA LYS 85 -2.363 -0.560 -10.522 622 1HB LYS 85 1HB LYS 85 -1.386 1.717 -10.148 623 2HB LYS 85 2HB LYS 85 -2.956 1.700 -10.927 624 1HG LYS 85 1HG LYS 85 -4.029 2.305 -8.716 625 2HG LYS 85 2HG LYS 85 -2.413 2.370 -8.001 626 1HD LYS 85 1HD LYS 85 -3.122 4.623 -8.566 627 2HD LYS 85 2HD LYS 85 -1.790 4.165 -9.625 628 1HE LYS 85 1HE LYS 85 -3.405 5.313 -10.958 629 2HE LYS 85 2HE LYS 85 -3.528 3.602 -11.401 630 1HZ LYS 85 1HZ LYS 85 -5.334 5.211 -9.707 631 2HZ LYS 85 2HZ LYS 85 -5.717 4.611 -11.071 632 3HZ LYS 85 3HZ LYS 85 -5.478 3.536 -9.814 633 H GLN 86 H GLN 86 -0.119 -0.164 -9.714 634 HA GLN 86 HA GLN 86 0.378 -0.810 -6.906 635 1HB GLN 86 1HB GLN 86 0.405 -2.992 -7.809 636 2HB GLN 86 2HB GLN 86 1.067 -2.468 -9.355 637 1HG GLN 86 1HG GLN 86 3.264 -2.140 -8.448 638 2HG GLN 86 2HG GLN 86 2.725 -2.402 -6.795 639 1HE2 GLN 86 1HE2 GLN 86 4.868 -3.900 -7.710 640 2HE2 GLN 86 2HE2 GLN 86 4.315 -5.547 -7.985 641 H LEU 87 H LEU 87 2.340 0.119 -6.248 642 HA LEU 87 HA LEU 87 4.065 1.445 -8.262 643 1HB LEU 87 1HB LEU 87 3.270 2.679 -5.597 644 2HB LEU 87 2HB LEU 87 4.318 3.392 -6.813 645 HG LEU 87 HG LEU 87 1.351 2.835 -7.182 646 1HD1 LEU 87 1HD1 LEU 87 1.097 5.278 -6.968 647 2HD1 LEU 87 2HD1 LEU 87 1.707 4.527 -5.480 648 3HD1 LEU 87 3HD1 LEU 87 2.818 5.418 -6.547 649 1HD2 LEU 87 1HD2 LEU 87 1.520 4.150 -9.195 650 2HD2 LEU 87 2HD2 LEU 87 3.237 4.534 -8.872 651 3HD2 LEU 87 3HD2 LEU 87 2.740 2.895 -9.310 652 H ILE 88 H ILE 88 6.272 1.688 -7.477 653 HA ILE 88 HA ILE 88 7.055 0.046 -5.185 654 HB ILE 88 HB ILE 88 8.695 -1.142 -6.688 655 1HG1 ILE 88 1HG1 ILE 88 6.940 -0.048 -8.942 656 2HG1 ILE 88 2HG1 ILE 88 8.667 0.224 -8.693 657 1HG2 ILE 88 1HG2 ILE 88 5.791 -1.794 -7.307 658 2HG2 ILE 88 2HG2 ILE 88 7.175 -2.918 -7.223 659 3HG2 ILE 88 3HG2 ILE 88 6.601 -2.127 -5.765 660 1HD1 ILE 88 1HD1 ILE 88 9.024 -2.255 -9.047 661 2HD1 ILE 88 2HD1 ILE 88 7.299 -2.378 -9.480 662 3HD1 ILE 88 3HD1 ILE 88 8.379 -1.380 -10.457 663 H GLY 89 H GLY 89 8.936 0.716 -4.319 664 1HA GLY 89 1HA GLY 89 10.958 1.880 -4.115 665 2HA GLY 89 2HA GLY 89 10.728 2.604 -5.716 666 H TYR 90 H TYR 90 11.578 4.122 -3.560 667 HA TYR 90 HA TYR 90 9.424 5.311 -2.098 668 1HB TYR 90 1HB TYR 90 11.628 4.995 -1.144 669 2HB TYR 90 2HB TYR 90 12.331 6.065 -2.351 670 HD1 TYR 90 1HD TYR 90 9.055 7.046 -0.853 671 HD2 TYR 90 2HD TYR 90 13.360 7.382 -0.550 672 HE1 TYR 90 1HE TYR 90 8.799 8.790 0.817 673 HE2 TYR 90 2HE TYR 90 13.077 9.192 1.135 674 HH TYR 90 HH TYR 90 10.166 9.493 2.808 675 H GLN 91 H GLN 91 8.105 5.927 -4.009 676 HA GLN 91 HA GLN 91 8.832 8.354 -5.419 677 1HB GLN 91 1HB GLN 91 5.953 7.661 -4.765 678 2HB GLN 91 2HB GLN 91 6.604 8.533 -6.127 679 1HG GLN 91 1HG GLN 91 6.985 5.537 -5.740 680 2HG GLN 91 2HG GLN 91 5.765 6.295 -6.749 681 1HE2 GLN 91 1HE2 GLN 91 6.310 6.620 -8.927 682 2HE2 GLN 91 2HE2 GLN 91 7.983 6.635 -9.474 683 HA PRO 92 HA PRO 92 8.114 11.024 -1.855 684 1HB PRO 92 1HB PRO 92 7.926 13.491 -3.037 685 2HB PRO 92 2HB PRO 92 9.468 12.600 -2.872 686 1HG PRO 92 1HG PRO 92 7.649 12.757 -5.276 687 2HG PRO 92 2HG PRO 92 9.428 12.932 -5.226 688 1HD PRO 92 1HD PRO 92 8.192 10.572 -5.904 689 2HD PRO 92 2HD PRO 92 9.752 10.610 -5.029 690 H LYS 93 H LYS 93 6.423 12.344 -0.949 691 HA LYS 93 HA LYS 93 3.986 11.188 -1.070 692 1HB LYS 93 1HB LYS 93 5.153 13.496 0.238 693 2HB LYS 93 2HB LYS 93 3.604 14.007 -0.356 694 1HG LYS 93 1HG LYS 93 4.159 11.760 1.578 695 2HG LYS 93 2HG LYS 93 3.309 13.272 1.869 696 1HD LYS 93 1HD LYS 93 2.326 10.931 0.186 697 2HD LYS 93 2HD LYS 93 1.776 11.384 1.764 698 1HE LYS 93 1HE LYS 93 1.472 13.178 -0.681 699 2HE LYS 93 2HE LYS 93 0.259 12.029 -0.122 700 1HZ LYS 93 1HZ LYS 93 -0.371 13.985 0.694 701 2HZ LYS 93 2HZ LYS 93 0.315 13.279 2.050 702 3HZ LYS 93 3HZ LYS 93 1.126 14.476 1.198 703 H GLU 94 H GLU 94 4.802 14.210 -2.718 704 HA GLU 94 HA GLU 94 2.198 14.663 -3.695 705 1HB GLU 94 1HB GLU 94 4.788 15.830 -4.651 706 2HB GLU 94 2HB GLU 94 3.157 16.421 -5.034 707 1HG GLU 94 1HG GLU 94 4.465 16.235 -2.295 708 2HG GLU 94 2HG GLU 94 4.003 17.689 -3.198 709 H GLN 95 H GLN 95 4.729 12.537 -4.954 710 HA GLN 95 HA GLN 95 3.729 12.476 -7.701 711 1HB GLN 95 1HB GLN 95 6.147 11.980 -6.704 712 2HB GLN 95 2HB GLN 95 5.484 10.421 -6.308 713 1HG GLN 95 1HG GLN 95 6.595 10.211 -8.433 714 2HG GLN 95 2HG GLN 95 4.859 10.088 -8.724 715 1HE2 GLN 95 1HE2 GLN 95 7.684 12.357 -8.931 716 2HE2 GLN 95 2HE2 GLN 95 6.912 13.356 -10.156 717 H LEU 96 H LEU 96 3.589 10.806 -4.626 718 HA LEU 96 HA LEU 96 2.087 8.511 -5.335 719 1HB LEU 96 1HB LEU 96 3.320 9.389 -3.094 720 2HB LEU 96 2HB LEU 96 1.698 9.808 -2.700 721 HG LEU 96 HG LEU 96 1.802 7.748 -1.738 722 1HD1 LEU 96 1HD1 LEU 96 0.516 6.127 -2.912 723 2HD1 LEU 96 2HD1 LEU 96 -0.058 7.680 -3.492 724 3HD1 LEU 96 3HD1 LEU 96 1.031 6.723 -4.500 725 1HD2 LEU 96 1HD2 LEU 96 3.510 6.754 -4.048 726 2HD2 LEU 96 2HD2 LEU 96 4.084 7.273 -2.443 727 3HD2 LEU 96 3HD2 LEU 96 3.073 5.836 -2.590 728 H GLU 97 H GLU 97 0.906 11.660 -3.816 729 HA GLU 97 HA GLU 97 -1.810 10.930 -4.236 730 1HB GLU 97 1HB GLU 97 -0.272 13.301 -3.229 731 2HB GLU 97 2HB GLU 97 -1.849 13.634 -3.921 732 1HG GLU 97 1HG GLU 97 -2.748 11.702 -2.483 733 2HG GLU 97 2HG GLU 97 -1.187 11.718 -1.672 734 H ALA 98 H ALA 98 0.534 12.443 -6.374 735 HA ALA 98 HA ALA 98 -1.546 13.323 -8.245 736 1HB ALA 98 1HB ALA 98 0.321 13.525 -9.868 737 2HB ALA 98 2HB ALA 98 0.701 14.332 -8.336 738 3HB ALA 98 3HB ALA 98 1.423 12.750 -8.710 739 H GLN 99 H GLN 99 0.672 10.480 -8.146 740 HA GLN 99 HA GLN 99 -0.342 9.300 -10.503 741 1HB GLN 99 1HB GLN 99 1.792 8.766 -9.391 742 2HB GLN 99 2HB GLN 99 0.946 8.013 -8.051 743 1HG GLN 99 1HG GLN 99 1.906 6.389 -9.606 744 2HG GLN 99 2HG GLN 99 0.160 6.200 -9.452 745 1HE2 GLN 99 1HE2 GLN 99 -1.200 7.162 -11.283 746 2HE2 GLN 99 2HE2 GLN 99 -0.462 7.099 -12.895 747 H LEU 100 H LEU 100 -1.359 8.951 -7.143 748 HA LEU 100 HA LEU 100 -3.447 7.002 -7.829 749 1HB LEU 100 1HB LEU 100 -1.896 7.703 -5.490 750 2HB LEU 100 2HB LEU 100 -3.570 7.909 -5.124 751 HG LEU 100 HG LEU 100 -3.866 5.500 -6.149 752 1HD1 LEU 100 1HD1 LEU 100 -1.533 5.542 -7.207 753 2HD1 LEU 100 2HD1 LEU 100 -0.863 5.460 -5.573 754 3HD1 LEU 100 3HD1 LEU 100 -1.850 4.120 -6.186 755 1HD2 LEU 100 1HD2 LEU 100 -4.030 5.895 -3.737 756 2HD2 LEU 100 2HD2 LEU 100 -3.100 4.418 -4.048 757 3HD2 LEU 100 3HD2 LEU 100 -2.254 5.905 -3.587 758 H ALA 101 H ALA 101 -3.401 10.349 -8.228 759 HA ALA 101 HA ALA 101 -5.541 11.352 -6.848 760 1HB ALA 101 1HB ALA 101 -5.739 13.005 -8.665 761 2HB ALA 101 2HB ALA 101 -4.046 12.713 -8.253 762 3HB ALA 101 3HB ALA 101 -4.737 11.987 -9.718 763 H ASP 102 H ASP 102 -5.784 9.180 -9.667 764 HA ASP 102 HA ASP 102 -8.534 9.790 -10.316 765 1HB ASP 102 1HB ASP 102 -8.391 7.869 -11.755 766 2HB ASP 102 2HB ASP 102 -6.857 8.730 -11.873 767 H VAL 103 H VAL 103 -7.092 8.018 -7.727 768 HA VAL 103 HA VAL 103 -9.711 6.792 -7.007 769 HB VAL 103 HB VAL 103 -6.901 6.040 -6.365 770 1HG1 VAL 103 1HG1 VAL 103 -9.459 4.922 -5.193 771 2HG1 VAL 103 2HG1 VAL 103 -7.893 4.085 -5.145 772 3HG1 VAL 103 3HG1 VAL 103 -8.082 5.622 -4.305 773 1HG2 VAL 103 1HG2 VAL 103 -7.450 3.945 -7.468 774 2HG2 VAL 103 2HG2 VAL 103 -9.123 4.493 -7.736 775 3HG2 VAL 103 3HG2 VAL 103 -7.774 5.285 -8.566 776 H LEU 104 H LEU 104 -7.853 9.549 -6.404 777 HA LEU 104 HA LEU 104 -9.033 9.852 -3.712 778 1HB LEU 104 1HB LEU 104 -6.435 10.632 -5.014 779 2HB LEU 104 2HB LEU 104 -7.101 11.725 -3.860 780 HG LEU 104 HG LEU 104 -5.536 10.331 -2.727 781 1HD1 LEU 104 1HD1 LEU 104 -8.205 9.094 -1.955 782 2HD1 LEU 104 2HD1 LEU 104 -6.765 9.302 -0.963 783 3HD1 LEU 104 3HD1 LEU 104 -7.686 10.736 -1.489 784 1HD2 LEU 104 1HD2 LEU 104 -7.021 7.820 -3.586 785 2HD2 LEU 104 2HD2 LEU 104 -5.542 8.424 -4.343 786 3HD2 LEU 104 3HD2 LEU 104 -5.530 7.926 -2.642 787 H GLN 105 H GLN 105 -9.422 10.849 -6.894 788 HA GLN 105 HA GLN 105 -10.595 13.376 -6.720 789 1HB GLN 105 2HB GLN 105 -10.128 12.055 -8.752 790 2HB GLN 105 3HB GLN 105 -11.467 10.998 -8.364 791 1HG GLN 105 2HG GLN 105 -11.984 13.978 -8.583 792 2HG GLN 105 3HG GLN 105 -11.637 13.082 -10.051 793 1HE2 GLN 105 1HE2 GLN 105 -13.885 13.011 -7.204 794 2HE2 GLN 105 2HE2 GLN 105 -15.235 12.372 -8.170 Start of MODEL 13 1 1H ALA 1 H ALA 1 -10.834 3.088 5.514 2 2H ALA 1 2HN ALA 1 -11.398 4.640 5.713 3 3H ALA 1 3HN ALA 1 -9.808 4.351 5.415 4 HA ALA 1 HA ALA 1 -10.284 4.887 7.758 5 1HB ALA 1 1HB ALA 1 -12.388 3.603 7.946 6 2HB ALA 1 2HB ALA 1 -11.491 2.089 7.663 7 3HB ALA 1 3HB ALA 1 -11.188 3.044 9.129 8 H THR 2 H THR 2 -8.592 4.157 9.298 9 HA THR 2 HA THR 2 -6.540 2.532 7.867 10 HB THR 2 HB THR 2 -6.062 4.722 9.916 11 HG1 THR 2 1HG THR 2 -7.110 5.490 7.917 12 1HG2 THR 2 1HG2 THR 2 -4.298 3.333 7.832 13 2HG2 THR 2 2HG2 THR 2 -3.787 4.683 8.865 14 3HG2 THR 2 3HG2 THR 2 -4.202 3.119 9.588 15 H MET 3 H MET 3 -6.033 0.625 8.865 16 HA MET 3 HA MET 3 -5.975 0.564 11.795 17 1HB MET 3 1HB MET 3 -8.338 -0.153 10.756 18 2HB MET 3 2HB MET 3 -7.491 -1.668 10.442 19 1HG MET 3 1HG MET 3 -6.873 -1.628 12.965 20 2HG MET 3 2HG MET 3 -7.979 -0.266 13.097 21 1HE MET 3 1HE MET 3 -9.076 -4.685 12.286 22 2HE MET 3 2HE MET 3 -8.098 -3.757 11.128 23 3HE MET 3 3HE MET 3 -7.476 -4.068 12.765 24 H THR 4 H THR 4 -4.361 -0.128 9.144 25 HA THR 4 HA THR 4 -2.885 -1.641 8.353 26 HB THR 4 HB THR 4 -2.241 -0.956 11.017 27 HG1 THR 4 1HG THR 4 -0.372 -1.754 9.071 28 1HG2 THR 4 1HG2 THR 4 -2.131 -3.397 11.536 29 2HG2 THR 4 2HG2 THR 4 -0.876 -3.562 10.278 30 3HG2 THR 4 3HG2 THR 4 -0.597 -2.521 11.677 31 H LEU 5 H LEU 5 -1.926 -4.121 8.791 32 HA LEU 5 HA LEU 5 -4.236 -5.942 8.721 33 1HB LEU 5 1HB LEU 5 -2.334 -5.337 6.434 34 2HB LEU 5 2HB LEU 5 -3.505 -6.657 6.419 35 HG LEU 5 HG LEU 5 -4.243 -3.717 6.568 36 1HD1 LEU 5 1HD1 LEU 5 -3.057 -4.208 4.464 37 2HD1 LEU 5 2HD1 LEU 5 -4.173 -5.540 4.139 38 3HD1 LEU 5 3HD1 LEU 5 -4.774 -3.871 4.174 39 1HD2 LEU 5 1HD2 LEU 5 -6.010 -5.110 7.419 40 2HD2 LEU 5 2HD2 LEU 5 -6.456 -4.395 5.873 41 3HD2 LEU 5 3HD2 LEU 5 -5.964 -6.098 5.937 42 H THR 6 H THR 6 -3.298 -8.187 8.209 43 HA THR 6 HA THR 6 -0.492 -8.471 9.114 44 HB THR 6 HB THR 6 -2.843 -10.130 10.062 45 HG1 THR 6 1HG THR 6 -1.056 -8.337 11.320 46 1HG2 THR 6 1HG2 THR 6 -0.811 -11.565 9.812 47 2HG2 THR 6 2HG2 THR 6 0.101 -10.416 10.809 48 3HG2 THR 6 3HG2 THR 6 -1.262 -11.316 11.505 49 H ASP 7 H ASP 7 -2.703 -11.065 8.189 50 HA ASP 7 HA ASP 7 -1.526 -11.150 5.466 51 1HB ASP 7 1HB ASP 7 -0.090 -12.629 6.733 52 2HB ASP 7 2HB ASP 7 -1.478 -13.430 7.475 53 H ALA 8 H ALA 8 -3.651 -13.283 7.429 54 HA ALA 8 HA ALA 8 -5.619 -13.707 5.530 55 1HB ALA 8 1HB ALA 8 -5.999 -13.295 8.533 56 2HB ALA 8 2HB ALA 8 -7.116 -14.147 7.448 57 3HB ALA 8 3HB ALA 8 -5.493 -14.813 7.748 58 H ASN 9 H ASN 9 -5.031 -10.789 7.350 59 HA ASN 9 HA ASN 9 -7.674 -9.618 6.976 60 1HB ASN 9 1HB ASN 9 -5.947 -9.182 8.863 61 2HB ASN 9 2HB ASN 9 -5.206 -8.083 7.683 62 1HD2 ASN 9 1HD2 ASN 9 -5.994 -6.889 10.010 63 2HD2 ASN 9 2HD2 ASN 9 -7.479 -6.015 9.700 64 H PHE 10 H PHE 10 -4.700 -9.854 5.098 65 HA PHE 10 HA PHE 10 -4.917 -7.457 3.544 66 1HB PHE 10 1HB PHE 10 -2.868 -8.764 3.725 67 2HB PHE 10 2HB PHE 10 -3.604 -10.132 2.914 68 HD1 PHE 10 1HD PHE 10 -1.876 -6.974 2.439 69 HD2 PHE 10 2HD PHE 10 -4.156 -10.044 0.445 70 HE1 PHE 10 1HE PHE 10 -1.054 -6.178 0.253 71 HE2 PHE 10 2HE PHE 10 -3.347 -9.223 -1.721 72 HZ PHE 10 HZ PHE 10 -1.762 -7.311 -1.828 73 H GLN 11 H GLN 11 -5.769 -10.833 2.641 74 HA GLN 11 HA GLN 11 -7.173 -10.110 0.299 75 1HB GLN 11 1HB GLN 11 -6.267 -12.375 1.002 76 2HB GLN 11 2HB GLN 11 -7.760 -12.591 1.932 77 1HG GLN 11 1HG GLN 11 -9.055 -12.227 -0.194 78 2HG GLN 11 2HG GLN 11 -7.534 -12.023 -1.077 79 1HE2 GLN 11 1HE2 GLN 11 -5.942 -13.974 -1.094 80 2HE2 GLN 11 2HE2 GLN 11 -6.733 -15.539 -1.016 81 H GLN 12 H GLN 12 -8.335 -10.607 3.661 82 HA GLN 12 HA GLN 12 -11.109 -10.272 3.158 83 1HB GLN 12 1HB GLN 12 -10.118 -11.340 5.158 84 2HB GLN 12 2HB GLN 12 -9.379 -9.807 5.630 85 1HG GLN 12 1HG GLN 12 -11.566 -8.828 6.088 86 2HG GLN 12 2HG GLN 12 -12.373 -10.279 5.469 87 1HE2 GLN 12 1HE2 GLN 12 -13.431 -10.848 7.455 88 2HE2 GLN 12 2HE2 GLN 12 -12.489 -11.315 8.868 89 H ALA 13 H ALA 13 -8.549 -7.788 3.633 90 HA ALA 13 HA ALA 13 -10.469 -5.652 3.720 91 1HB ALA 13 1HB ALA 13 -7.480 -5.622 3.128 92 2HB ALA 13 2HB ALA 13 -8.507 -4.200 3.431 93 3HB ALA 13 3HB ALA 13 -8.262 -5.403 4.709 94 H ILE 14 H ILE 14 -8.152 -6.777 1.174 95 HA ILE 14 HA ILE 14 -8.933 -4.851 -0.705 96 HB ILE 14 HB ILE 14 -7.736 -6.184 -2.386 97 1HG1 ILE 14 1HG1 ILE 14 -7.427 -8.282 -0.318 98 2HG1 ILE 14 2HG1 ILE 14 -8.546 -8.419 -1.666 99 1HG2 ILE 14 1HG2 ILE 14 -6.499 -4.724 -0.811 100 2HG2 ILE 14 2HG2 ILE 14 -6.273 -6.094 0.291 101 3HG2 ILE 14 3HG2 ILE 14 -5.532 -6.107 -1.311 102 1HD1 ILE 14 1HD1 ILE 14 -5.520 -8.287 -1.858 103 2HD1 ILE 14 2HD1 ILE 14 -6.566 -9.665 -2.222 104 3HD1 ILE 14 3HD1 ILE 14 -6.614 -8.219 -3.254 105 H GLN 15 H GLN 15 -10.581 -7.771 0.009 106 HA GLN 15 HA GLN 15 -12.116 -8.130 -2.345 107 1HB GLN 15 1HB GLN 15 -13.523 -9.523 -0.975 108 2HB GLN 15 2HB GLN 15 -11.861 -9.723 -0.448 109 1HG GLN 15 1HG GLN 15 -12.906 -9.583 1.578 110 2HG GLN 15 2HG GLN 15 -12.440 -7.899 1.324 111 1HE2 GLN 15 1HE2 GLN 15 -14.047 -6.619 2.189 112 2HE2 GLN 15 2HE2 GLN 15 -15.770 -6.914 1.928 113 H GLY 16 H GLY 16 -12.292 -5.471 -0.037 114 1HA GLY 16 1HA GLY 16 -15.065 -4.882 -0.233 115 2HA GLY 16 2HA GLY 16 -13.759 -3.774 0.235 116 H ASP 17 H ASP 17 -16.001 -3.007 -1.302 117 HA ASP 17 HA ASP 17 -15.324 -2.795 -4.133 118 1HB ASP 17 1HB ASP 17 -17.385 -1.538 -4.259 119 2HB ASP 17 2HB ASP 17 -17.674 -2.985 -3.293 120 H GLY 18 H GLY 18 -15.291 -0.781 -1.220 121 1HA GLY 18 1HA GLY 18 -14.471 1.655 -2.409 122 2HA GLY 18 2HA GLY 18 -14.217 1.206 -0.712 123 HA PRO 19 HA PRO 19 -10.103 1.214 -3.199 124 1HB PRO 19 1HB PRO 19 -9.024 3.578 -2.284 125 2HB PRO 19 2HB PRO 19 -10.019 3.446 -3.764 126 1HG PRO 19 1HG PRO 19 -10.936 4.253 -0.995 127 2HG PRO 19 2HG PRO 19 -11.263 5.077 -2.553 128 1HD PRO 19 1HD PRO 19 -13.047 3.396 -1.400 129 2HD PRO 19 2HD PRO 19 -12.816 3.396 -3.175 130 H VAL 20 H VAL 20 -9.206 -0.430 -2.055 131 HA VAL 20 HA VAL 20 -8.296 0.078 0.750 132 HB VAL 20 HB VAL 20 -8.452 -2.450 -0.944 133 1HG1 VAL 20 1HG1 VAL 20 -7.737 -3.676 1.114 134 2HG1 VAL 20 2HG1 VAL 20 -6.465 -2.646 0.464 135 3HG1 VAL 20 3HG1 VAL 20 -7.379 -2.123 1.892 136 1HG2 VAL 20 1HG2 VAL 20 -10.605 -1.496 0.181 137 2HG2 VAL 20 2HG2 VAL 20 -10.193 -3.189 0.375 138 3HG2 VAL 20 3HG2 VAL 20 -9.860 -2.064 1.694 139 H LEU 21 H LEU 21 -6.036 0.125 1.114 140 HA LEU 21 HA LEU 21 -4.332 -0.590 -1.124 141 1HB LEU 21 1HB LEU 21 -3.052 1.413 -1.327 142 2HB LEU 21 2HB LEU 21 -4.737 1.773 -1.587 143 HG LEU 21 HG LEU 21 -4.727 2.516 0.951 144 1HD1 LEU 21 1HD1 LEU 21 -2.431 1.857 1.562 145 2HD1 LEU 21 2HD1 LEU 21 -1.777 2.715 0.161 146 3HD1 LEU 21 3HD1 LEU 21 -2.500 3.615 1.505 147 1HD2 LEU 21 1HD2 LEU 21 -4.106 4.799 0.222 148 2HD2 LEU 21 2HD2 LEU 21 -3.478 4.126 -1.301 149 3HD2 LEU 21 3HD2 LEU 21 -5.207 3.997 -0.901 150 H VAL 22 H VAL 22 -2.148 -0.968 -0.581 151 HA VAL 22 HA VAL 22 -1.750 -1.432 2.346 152 HB VAL 22 HB VAL 22 -1.194 -3.439 0.107 153 1HG1 VAL 22 1HG1 VAL 22 -0.926 -3.530 3.143 154 2HG1 VAL 22 2HG1 VAL 22 -0.817 -4.964 2.111 155 3HG1 VAL 22 3HG1 VAL 22 0.380 -3.691 1.946 156 1HG2 VAL 22 1HG2 VAL 22 -3.591 -3.343 0.375 157 2HG2 VAL 22 2HG2 VAL 22 -3.034 -4.772 1.241 158 3HG2 VAL 22 3HG2 VAL 22 -3.454 -3.303 2.142 159 H ASP 23 H ASP 23 0.117 -0.663 3.063 160 HA ASP 23 HA ASP 23 2.418 -0.159 1.230 161 1HB ASP 23 1HB ASP 23 2.068 1.294 3.243 162 2HB ASP 23 2HB ASP 23 2.189 -0.101 4.229 163 H PHE 24 H PHE 24 3.685 -1.788 0.642 164 HA PHE 24 HA PHE 24 4.149 -4.098 2.464 165 1HB PHE 24 1HB PHE 24 4.772 -3.597 -0.455 166 2HB PHE 24 2HB PHE 24 5.411 -4.959 0.436 167 HD1 PHE 24 1HD PHE 24 2.768 -4.008 -1.730 168 HD2 PHE 24 2HD PHE 24 3.660 -6.383 1.757 169 HE1 PHE 24 1HE PHE 24 1.044 -5.650 -2.409 170 HE2 PHE 24 2HE PHE 24 1.951 -8.023 1.075 171 HZ PHE 24 HZ PHE 24 0.748 -7.755 -1.018 172 H TRP 25 H TRP 25 5.646 -3.506 3.822 173 HA TRP 25 HA TRP 25 8.202 -2.385 2.812 174 1HB TRP 25 1HB TRP 25 8.487 -1.002 4.712 175 2HB TRP 25 2HB TRP 25 6.872 -0.660 4.131 176 HD1 TRP 25 HD TRP 25 4.853 -1.905 5.589 177 HE1 TRP 25 1HE TRP 25 4.709 -2.557 8.062 178 HE3 TRP 25 3HE TRP 25 9.762 -1.274 6.862 179 HZ2 TRP 25 2HZ TRP 25 6.557 -2.888 10.307 180 HZ3 TRP 25 3HZ TRP 25 10.534 -1.708 9.167 181 HH2 TRP 25 HH TRP 25 8.947 -2.544 10.890 182 H ALA 26 H ALA 26 9.894 -2.923 4.883 183 HA ALA 26 HA ALA 26 9.232 -5.242 6.405 184 1HB ALA 26 1HB ALA 26 11.410 -5.497 4.274 185 2HB ALA 26 2HB ALA 26 11.039 -6.695 5.537 186 3HB ALA 26 3HB ALA 26 9.864 -6.371 4.264 187 H ALA 27 H ALA 27 11.148 -5.769 7.821 188 HA ALA 27 HA ALA 27 12.116 -3.372 8.963 189 1HB ALA 27 1HB ALA 27 12.957 -6.245 9.507 190 2HB ALA 27 2HB ALA 27 13.199 -4.850 10.582 191 3HB ALA 27 3HB ALA 27 11.556 -5.409 10.224 192 H TRP 28 H TRP 28 13.447 -4.754 6.205 193 HA TRP 28 HA TRP 28 16.205 -3.878 6.940 194 1HB TRP 28 1HB TRP 28 17.076 -5.699 6.105 195 2HB TRP 28 2HB TRP 28 15.480 -6.390 6.247 196 HD1 TRP 28 HD TRP 28 18.028 -5.084 3.794 197 HE1 TRP 28 1HE TRP 28 17.395 -5.583 1.370 198 HE3 TRP 28 3HE TRP 28 13.377 -7.124 4.560 199 HZ2 TRP 28 2HZ TRP 28 15.048 -6.423 -0.078 200 HZ3 TRP 28 3HZ TRP 28 11.928 -7.698 2.598 201 HH2 TRP 28 HH TRP 28 12.760 -7.265 0.301 202 H CYS 29 H CYS 29 13.592 -3.257 4.646 203 HA CYS 29 HA CYS 29 15.317 -2.769 2.422 204 1HB CYS 29 1HB CYS 29 13.146 -1.771 1.437 205 2HB CYS 29 2HB CYS 29 13.365 -3.489 1.699 206 H GLY 30 H GLY 30 16.820 -1.134 3.050 207 1HA GLY 30 1HA GLY 30 17.016 1.248 3.941 208 2HA GLY 30 2HA GLY 30 17.446 1.047 2.247 209 HA PRO 31 HA PRO 31 14.476 4.134 1.114 210 1HB PRO 31 1HB PRO 31 13.029 3.139 -1.021 211 2HB PRO 31 2HB PRO 31 14.742 3.659 -1.116 212 1HG PRO 31 1HG PRO 31 13.647 0.854 -0.773 213 2HG PRO 31 2HG PRO 31 14.926 1.415 -1.895 214 1HD PRO 31 1HD PRO 31 15.519 0.231 0.470 215 2HD PRO 31 2HD PRO 31 16.502 1.596 -0.137 216 H CYS 32 H CYS 32 12.963 0.994 1.893 217 HA CYS 32 HA CYS 32 10.290 2.120 1.977 218 1HB CYS 32 1HB CYS 32 9.510 0.130 2.802 219 2HB CYS 32 2HB CYS 32 10.801 -0.349 1.711 220 H ARG 33 H ARG 33 13.062 2.000 4.176 221 HA ARG 33 HA ARG 33 11.599 2.802 6.504 222 1HB ARG 33 1HB ARG 33 13.898 1.813 6.450 223 2HB ARG 33 2HB ARG 33 14.516 3.356 5.863 224 1HG ARG 33 1HG ARG 33 12.875 3.360 8.390 225 2HG ARG 33 2HG ARG 33 14.483 2.648 8.465 226 1HD ARG 33 1HD ARG 33 15.572 4.658 7.813 227 2HD ARG 33 2HD ARG 33 14.080 5.452 7.346 228 HE ARG 33 HE ARG 33 15.193 5.152 10.001 229 1HH1 ARG 33 2HH2 ARG 33 12.144 5.793 8.239 230 2HH1 ARG 33 1HH2 ARG 33 11.388 6.575 9.587 231 1HH2 ARG 33 2HH1 ARG 33 14.160 6.194 11.773 232 2HH2 ARG 33 1HH1 ARG 33 12.554 6.805 11.619 233 H MET 34 H MET 34 12.444 4.631 3.632 234 HA MET 34 HA MET 34 11.856 7.172 5.003 235 1HB MET 34 1HB MET 34 13.133 6.486 2.322 236 2HB MET 34 2HB MET 34 12.596 8.108 2.742 237 1HG MET 34 1HG MET 34 14.791 8.254 3.353 238 2HG MET 34 2HG MET 34 14.029 7.859 4.886 239 1HE MET 34 1HE MET 34 16.659 5.117 2.258 240 2HE MET 34 2HE MET 34 15.254 6.029 1.664 241 3HE MET 34 3HE MET 34 16.693 6.896 2.222 242 H MET 35 H MET 35 10.508 4.876 2.817 243 HA MET 35 HA MET 35 8.395 6.558 1.760 244 1HB MET 35 1HB MET 35 9.393 4.586 0.568 245 2HB MET 35 2HB MET 35 8.696 3.528 1.799 246 1HG MET 35 1HG MET 35 7.396 3.512 -0.218 247 2HG MET 35 2HG MET 35 6.466 4.193 1.097 248 1HE MET 35 1HE MET 35 4.949 4.580 -1.358 249 2HE MET 35 2HE MET 35 5.569 5.673 -2.620 250 3HE MET 35 3HE MET 35 6.381 4.128 -2.292 251 H ALA 36 H ALA 36 8.715 3.969 4.311 252 HA ALA 36 HA ALA 36 6.079 3.852 5.121 253 1HB ALA 36 1HB ALA 36 6.953 3.112 7.316 254 2HB ALA 36 2HB ALA 36 7.756 2.331 5.944 255 3HB ALA 36 3HB ALA 36 8.585 3.629 6.827 256 HA PRO 37 HA PRO 37 6.317 7.643 7.979 257 1HB PRO 37 1HB PRO 37 8.232 9.584 7.617 258 2HB PRO 37 2HB PRO 37 8.372 8.224 8.774 259 1HG PRO 37 1HG PRO 37 9.505 8.422 5.980 260 2HG PRO 37 2HG PRO 37 10.338 7.880 7.468 261 1HD PRO 37 1HD PRO 37 9.319 6.087 5.721 262 2HD PRO 37 2HD PRO 37 9.190 5.810 7.476 263 H VAL 38 H VAL 38 7.382 7.988 4.501 264 HA VAL 38 HA VAL 38 5.752 10.383 4.173 265 HB VAL 38 HB VAL 38 7.603 8.909 2.600 266 1HG1 VAL 38 1HG1 VAL 38 5.038 9.352 1.024 267 2HG1 VAL 38 2HG1 VAL 38 6.622 8.899 0.365 268 3HG1 VAL 38 3HG1 VAL 38 5.763 7.775 1.414 269 1HG2 VAL 38 1HG2 VAL 38 7.599 11.327 2.970 270 2HG2 VAL 38 2HG2 VAL 38 7.623 10.952 1.239 271 3HG2 VAL 38 3HG2 VAL 38 6.113 11.490 2.015 272 H LEU 39 H LEU 39 5.162 6.872 3.948 273 HA LEU 39 HA LEU 39 2.531 7.045 2.953 274 1HB LEU 39 1HB LEU 39 4.103 4.907 4.414 275 2HB LEU 39 2HB LEU 39 2.484 4.674 3.818 276 HG LEU 39 HG LEU 39 4.903 5.357 2.094 277 1HD1 LEU 39 1HD1 LEU 39 4.621 3.071 1.225 278 2HD1 LEU 39 2HD1 LEU 39 4.859 3.039 2.978 279 3HD1 LEU 39 3HD1 LEU 39 3.232 2.845 2.279 280 1HD2 LEU 39 1HD2 LEU 39 2.018 4.940 1.314 281 2HD2 LEU 39 2HD2 LEU 39 3.081 6.338 0.970 282 3HD2 LEU 39 3HD2 LEU 39 3.397 4.779 0.206 283 H GLU 40 H GLU 40 3.914 7.471 6.165 284 HA GLU 40 HA GLU 40 1.458 7.168 7.625 285 1HB GLU 40 1HB GLU 40 4.057 7.405 8.390 286 2HB GLU 40 2HB GLU 40 3.595 9.096 8.545 287 1HG GLU 40 1HG GLU 40 3.185 8.232 10.671 288 2HG GLU 40 2HG GLU 40 1.572 8.177 9.949 289 H GLU 41 H GLU 41 3.225 10.043 6.314 290 HA GLU 41 HA GLU 41 1.016 11.808 6.920 291 1HB GLU 41 1HB GLU 41 2.207 13.521 5.871 292 2HB GLU 41 2HB GLU 41 3.384 12.550 6.760 293 1HG GLU 41 1HG GLU 41 4.411 11.778 4.853 294 2HG GLU 41 2HG GLU 41 2.993 12.018 3.820 295 H PHE 42 H PHE 42 1.694 9.750 4.214 296 HA PHE 42 HA PHE 42 -0.392 10.717 2.438 297 1HB PHE 42 1HB PHE 42 1.476 9.144 1.789 298 2HB PHE 42 2HB PHE 42 0.740 7.940 2.839 299 HD1 PHE 42 1HD PHE 42 -0.470 6.250 1.839 300 HD2 PHE 42 2HD PHE 42 -0.234 10.114 -0.064 301 HE1 PHE 42 1HE PHE 42 -1.818 5.410 -0.060 302 HE2 PHE 42 2HE PHE 42 -1.639 9.285 -1.922 303 HZ PHE 42 HZ PHE 42 -2.483 6.959 -1.896 304 H ALA 43 H ALA 43 -0.369 7.934 4.791 305 HA ALA 43 HA ALA 43 -3.091 7.412 4.589 306 1HB ALA 43 1HB ALA 43 -1.320 7.144 7.078 307 2HB ALA 43 2HB ALA 43 -2.840 6.275 6.779 308 3HB ALA 43 3HB ALA 43 -1.412 5.952 5.772 309 H GLU 44 H GLU 44 -1.459 9.621 6.889 310 HA GLU 44 HA GLU 44 -3.680 10.438 8.380 311 1HB GLU 44 1HB GLU 44 -1.331 10.927 8.912 312 2HB GLU 44 2HB GLU 44 -1.227 12.028 7.530 313 1HG GLU 44 1HG GLU 44 -2.876 13.533 8.569 314 2HG GLU 44 2HG GLU 44 -3.116 12.390 9.898 315 H ALA 45 H ALA 45 -2.535 11.695 5.230 316 HA ALA 45 HA ALA 45 -4.314 13.927 5.140 317 1HB ALA 45 1HB ALA 45 -3.670 14.058 2.764 318 2HB ALA 45 2HB ALA 45 -2.253 13.769 3.790 319 3HB ALA 45 3HB ALA 45 -2.960 12.437 2.846 320 H HIS 46 H HIS 46 -5.026 10.576 4.694 321 HA HIS 46 HA HIS 46 -7.804 11.162 4.026 322 1HB HIS 46 1HB HIS 46 -7.683 9.632 2.023 323 2HB HIS 46 2HB HIS 46 -6.956 11.223 1.809 324 HD1 HIS 46 1HD HIS 46 -5.708 7.736 2.826 325 HD2 HIS 46 2HD HIS 46 -4.568 11.207 0.776 326 HE1 HIS 46 1HE HIS 46 -3.362 7.250 1.714 327 HE2 HIS 46 2HE HIS 46 -2.738 9.508 0.483 328 H ALA 47 H ALA 47 -7.103 10.279 6.339 329 HA ALA 47 HA ALA 47 -6.417 7.535 6.605 330 1HB ALA 47 1HB ALA 47 -6.887 7.897 8.995 331 2HB ALA 47 2HB ALA 47 -5.986 9.267 8.321 332 3HB ALA 47 3HB ALA 47 -7.736 9.412 8.621 333 H ASP 48 H ASP 48 -9.389 9.017 5.869 334 HA ASP 48 HA ASP 48 -11.154 6.888 6.806 335 1HB ASP 48 1HB ASP 48 -12.854 8.645 6.566 336 2HB ASP 48 2HB ASP 48 -11.545 9.183 7.617 337 H LYS 49 H LYS 49 -10.668 9.038 3.992 338 HA LYS 49 HA LYS 49 -12.514 8.004 2.257 339 1HB LYS 49 1HB LYS 49 -11.236 10.061 1.870 340 2HB LYS 49 2HB LYS 49 -9.761 9.128 1.595 341 1HG LYS 49 1HG LYS 49 -10.717 8.111 -0.426 342 2HG LYS 49 2HG LYS 49 -12.241 8.957 -0.164 343 1HD LYS 49 1HD LYS 49 -9.539 10.254 -0.772 344 2HD LYS 49 2HD LYS 49 -10.823 9.934 -1.938 345 1HE LYS 49 1HE LYS 49 -12.353 11.388 -0.448 346 2HE LYS 49 2HE LYS 49 -10.879 11.867 0.411 347 1HZ LYS 49 1HZ LYS 49 -11.129 13.474 -1.257 348 2HZ LYS 49 2HZ LYS 49 -10.077 12.403 -1.991 349 3HZ LYS 49 3HZ LYS 49 -11.613 12.390 -2.410 350 H VAL 50 H VAL 50 -9.427 6.477 3.021 351 HA VAL 50 HA VAL 50 -10.119 4.319 1.088 352 HB VAL 50 HB VAL 50 -7.872 4.084 0.298 353 1HG1 VAL 50 1HG1 VAL 50 -9.325 5.794 -0.860 354 2HG1 VAL 50 2HG1 VAL 50 -8.514 7.043 0.086 355 3HG1 VAL 50 3HG1 VAL 50 -7.592 6.040 -1.065 356 1HG2 VAL 50 1HG2 VAL 50 -7.150 6.345 2.187 357 2HG2 VAL 50 2HG2 VAL 50 -6.504 4.694 2.143 358 3HG2 VAL 50 3HG2 VAL 50 -6.108 5.821 0.841 359 H THR 51 H THR 51 -9.435 2.252 1.687 360 HA THR 51 HA THR 51 -8.969 1.888 4.509 361 HB THR 51 HB THR 51 -9.599 0.005 2.327 362 HG1 THR 51 1HG THR 51 -11.578 0.034 3.284 363 1HG2 THR 51 1HG2 THR 51 -8.330 -1.276 4.006 364 2HG2 THR 51 2HG2 THR 51 -9.286 -0.546 5.311 365 3HG2 THR 51 3HG2 THR 51 -10.044 -1.665 4.152 366 H VAL 52 H VAL 52 -6.928 3.092 4.329 367 HA VAL 52 HA VAL 52 -4.680 1.818 2.982 368 HB VAL 52 HB VAL 52 -4.481 4.069 2.972 369 1HG1 VAL 52 1HG1 VAL 52 -4.674 5.609 4.993 370 2HG1 VAL 52 2HG1 VAL 52 -6.192 4.881 4.485 371 3HG1 VAL 52 3HG1 VAL 52 -5.318 4.210 5.870 372 1HG2 VAL 52 1HG2 VAL 52 -2.556 4.758 4.157 373 2HG2 VAL 52 2HG2 VAL 52 -2.813 3.552 5.434 374 3HG2 VAL 52 3HG2 VAL 52 -2.361 3.044 3.794 375 H ALA 53 H ALA 53 -2.924 0.793 3.926 376 HA ALA 53 HA ALA 53 -2.991 0.296 6.794 377 1HB ALA 53 1HB ALA 53 -3.209 -1.807 4.574 378 2HB ALA 53 2HB ALA 53 -2.717 -2.199 6.226 379 3HB ALA 53 3HB ALA 53 -4.355 -1.547 5.908 380 H LYS 54 H LYS 54 -0.900 -0.683 7.468 381 HA LYS 54 HA LYS 54 0.946 -1.187 5.269 382 1HB LYS 54 1HB LYS 54 2.880 -0.343 6.506 383 2HB LYS 54 2HB LYS 54 1.717 0.940 6.164 384 1HG LYS 54 1HG LYS 54 0.884 0.743 8.535 385 2HG LYS 54 2HG LYS 54 2.204 -0.417 8.843 386 1HD LYS 54 1HD LYS 54 3.860 1.303 8.139 387 2HD LYS 54 2HD LYS 54 2.536 2.422 7.761 388 1HE LYS 54 1HE LYS 54 1.818 2.230 10.198 389 2HE LYS 54 2HE LYS 54 3.364 1.407 10.504 390 1HZ LYS 54 1HZ LYS 54 3.476 3.888 10.844 391 2HZ LYS 54 2HZ LYS 54 4.447 3.441 9.560 392 3HZ LYS 54 3HZ LYS 54 2.948 4.131 9.410 393 H LEU 55 H LEU 55 2.214 -2.911 5.389 394 HA LEU 55 HA LEU 55 2.215 -4.468 7.885 395 1HB LEU 55 1HB LEU 55 1.421 -6.528 6.768 396 2HB LEU 55 2HB LEU 55 0.211 -5.272 7.000 397 HG LEU 55 HG LEU 55 0.267 -4.697 4.651 398 1HD1 LEU 55 1HD1 LEU 55 2.410 -5.274 3.806 399 2HD1 LEU 55 2HD1 LEU 55 2.275 -6.958 4.376 400 3HD1 LEU 55 3HD1 LEU 55 1.277 -6.361 3.024 401 1HD2 LEU 55 1HD2 LEU 55 -0.811 -7.046 5.856 402 2HD2 LEU 55 2HD2 LEU 55 -1.409 -6.149 4.452 403 3HD2 LEU 55 3HD2 LEU 55 -0.306 -7.516 4.246 404 H ASN 56 H ASN 56 3.806 -6.205 7.862 405 HA ASN 56 HA ASN 56 6.154 -5.461 6.251 406 1HB ASN 56 1HB ASN 56 6.653 -5.893 8.482 407 2HB ASN 56 2HB ASN 56 5.592 -7.268 8.603 408 1HD2 ASN 56 1HD2 ASN 56 7.053 -8.929 9.183 409 2HD2 ASN 56 2HD2 ASN 56 8.398 -9.375 8.147 410 H VAL 57 H VAL 57 6.676 -6.504 4.380 411 HA VAL 57 HA VAL 57 4.759 -8.302 3.251 412 HB VAL 57 HB VAL 57 6.202 -6.620 2.098 413 1HG1 VAL 57 1HG1 VAL 57 8.433 -7.302 2.870 414 2HG1 VAL 57 2HG1 VAL 57 8.245 -8.897 2.112 415 3HG1 VAL 57 3HG1 VAL 57 8.325 -7.457 1.103 416 1HG2 VAL 57 1HG2 VAL 57 6.122 -9.337 0.795 417 2HG2 VAL 57 2HG2 VAL 57 4.711 -8.290 0.974 418 3HG2 VAL 57 3HG2 VAL 57 6.095 -7.739 0.021 419 H ASP 58 H ASP 58 7.572 -8.910 5.263 420 HA ASP 58 HA ASP 58 7.759 -11.747 4.589 421 1HB ASP 58 1HB ASP 58 9.276 -9.784 6.053 422 2HB ASP 58 2HB ASP 58 8.852 -11.055 7.177 423 H GLU 59 H GLU 59 5.621 -9.787 6.504 424 HA GLU 59 HA GLU 59 4.705 -11.953 8.265 425 1HB GLU 59 1HB GLU 59 4.568 -10.038 9.473 426 2HB GLU 59 2HB GLU 59 4.544 -9.016 8.086 427 1HG GLU 59 1HG GLU 59 2.101 -9.502 7.745 428 2HG GLU 59 2HG GLU 59 2.123 -10.375 9.281 429 H ASN 60 H ASN 60 3.828 -10.172 5.361 430 HA ASN 60 HA ASN 60 1.353 -11.797 5.043 431 1HB ASN 60 1HB ASN 60 1.117 -9.330 4.960 432 2HB ASN 60 2HB ASN 60 2.238 -9.237 3.621 433 1HD2 ASN 60 1HD2 ASN 60 1.521 -10.153 1.439 434 2HD2 ASN 60 2HD2 ASN 60 -0.165 -10.517 1.217 435 HA PRO 61 HA PRO 61 3.601 -13.782 1.606 436 1HB PRO 61 1HB PRO 61 2.616 -16.317 2.004 437 2HB PRO 61 2HB PRO 61 4.099 -15.678 2.768 438 1HG PRO 61 1HG PRO 61 1.300 -15.824 3.940 439 2HG PRO 61 2HG PRO 61 2.844 -16.310 4.711 440 1HD PRO 61 1HD PRO 61 1.698 -13.903 5.219 441 2HD PRO 61 2HD PRO 61 3.445 -14.024 5.099 442 H GLU 62 H GLU 62 0.152 -13.723 2.735 443 HA GLU 62 HA GLU 62 -1.038 -14.865 0.499 444 1HB GLU 62 1HB GLU 62 -2.392 -14.573 2.358 445 2HB GLU 62 2HB GLU 62 -1.961 -12.869 2.554 446 1HG GLU 62 1HG GLU 62 -4.308 -13.307 1.767 447 2HG GLU 62 2HG GLU 62 -3.361 -12.134 0.859 448 H THR 63 H THR 63 -1.151 -14.341 -1.525 449 HA THR 63 HA THR 63 -0.980 -13.366 -3.490 450 HB THR 63 HB THR 63 -2.341 -11.185 -1.939 451 HG1 THR 63 1HG THR 63 -3.718 -12.856 -2.272 452 1HG2 THR 63 1HG2 THR 63 -3.026 -10.172 -4.087 453 2HG2 THR 63 2HG2 THR 63 -1.293 -9.972 -3.787 454 3HG2 THR 63 3HG2 THR 63 -1.865 -11.201 -4.948 455 H THR 64 H THR 64 0.943 -12.039 -1.028 456 HA THR 64 HA THR 64 2.774 -10.426 -2.447 457 HB THR 64 HB THR 64 3.186 -12.450 -0.235 458 HG1 THR 64 1HG THR 64 3.155 -10.793 1.055 459 1HG2 THR 64 1HG2 THR 64 5.333 -11.520 0.305 460 2HG2 THR 64 2HG2 THR 64 5.391 -12.183 -1.327 461 3HG2 THR 64 3HG2 THR 64 5.268 -10.428 -1.087 462 H SER 65 H SER 65 2.796 -13.950 -1.917 463 HA SER 65 HA SER 65 4.873 -14.485 -3.838 464 1HB SER 65 1HB SER 65 4.422 -15.874 -1.820 465 2HB SER 65 2HB SER 65 2.860 -16.355 -2.511 466 HG SER 65 HG SER 65 4.239 -16.971 -4.409 467 H GLN 66 H GLN 66 1.763 -13.449 -4.533 468 HA GLN 66 HA GLN 66 1.463 -15.230 -6.891 469 1HB GLN 66 1HB GLN 66 -0.361 -14.958 -5.039 470 2HB GLN 66 2HB GLN 66 -0.637 -13.367 -5.753 471 1HG GLN 66 1HG GLN 66 -2.228 -14.864 -6.720 472 2HG GLN 66 2HG GLN 66 -1.045 -14.502 -7.976 473 1HE2 GLN 66 1HE2 GLN 66 -1.901 -16.980 -5.457 474 2HE2 GLN 66 2HE2 GLN 66 -1.194 -18.307 -6.375 475 H PHE 67 H PHE 67 1.671 -11.739 -5.821 476 HA PHE 67 HA PHE 67 1.506 -10.981 -8.686 477 1HB PHE 67 1HB PHE 67 0.001 -10.080 -6.755 478 2HB PHE 67 2HB PHE 67 1.383 -9.120 -6.337 479 HD1 PHE 67 1HD PHE 67 1.965 -7.129 -7.754 480 HD2 PHE 67 2HD PHE 67 -1.161 -9.867 -8.927 481 HE1 PHE 67 1HE PHE 67 1.127 -5.481 -9.385 482 HE2 PHE 67 2HE PHE 67 -1.967 -8.219 -10.592 483 HZ PHE 67 HZ PHE 67 -0.837 -6.016 -10.816 484 H GLY 68 H GLY 68 3.931 -12.020 -6.869 485 1HA GLY 68 1HA GLY 68 6.204 -11.883 -7.190 486 2HA GLY 68 2HA GLY 68 5.910 -10.677 -8.451 487 H ILE 69 H ILE 69 4.846 -10.407 -5.059 488 HA ILE 69 HA ILE 69 5.818 -7.687 -4.989 489 HB ILE 69 HB ILE 69 4.555 -9.363 -2.824 490 1HG1 ILE 69 1HG1 ILE 69 3.014 -9.338 -4.701 491 2HG1 ILE 69 2HG1 ILE 69 2.401 -8.362 -3.380 492 1HG2 ILE 69 1HG2 ILE 69 3.898 -7.323 -1.780 493 2HG2 ILE 69 2HG2 ILE 69 5.645 -7.297 -2.012 494 3HG2 ILE 69 3HG2 ILE 69 4.632 -6.337 -3.074 495 1HD1 ILE 69 1HD1 ILE 69 3.098 -6.288 -4.550 496 2HD1 ILE 69 2HD1 ILE 69 3.721 -7.270 -5.902 497 3HD1 ILE 69 3HD1 ILE 69 1.993 -7.263 -5.487 498 H MET 70 H MET 70 8.058 -8.239 -5.321 499 HA MET 70 HA MET 70 9.443 -8.461 -2.658 500 1HB MET 70 1HB MET 70 9.810 -10.377 -4.220 501 2HB MET 70 2HB MET 70 10.526 -9.256 -5.387 502 1HG MET 70 1HG MET 70 12.359 -8.771 -3.847 503 2HG MET 70 2HG MET 70 11.551 -9.657 -2.551 504 1HE MET 70 1HE MET 70 13.463 -9.906 -5.975 505 2HE MET 70 2HE MET 70 13.513 -11.662 -6.255 506 3HE MET 70 3HE MET 70 11.972 -10.793 -6.387 507 H SER 71 H SER 71 8.608 -6.312 -5.117 508 HA SER 71 HA SER 71 11.150 -4.839 -5.171 509 1HB SER 71 1HB SER 71 9.756 -5.381 -7.230 510 2HB SER 71 2HB SER 71 8.566 -4.218 -6.635 511 HG SER 71 HG SER 71 11.290 -3.740 -7.323 512 H ILE 72 H ILE 72 10.520 -4.772 -2.678 513 HA ILE 72 HA ILE 72 8.555 -2.789 -2.069 514 HB ILE 72 HB ILE 72 9.025 -3.208 0.274 515 1HG1 ILE 72 1HG1 ILE 72 11.135 -5.172 -0.718 516 2HG1 ILE 72 2HG1 ILE 72 11.417 -3.671 0.171 517 1HG2 ILE 72 1HG2 ILE 72 8.655 -5.792 -1.291 518 2HG2 ILE 72 2HG2 ILE 72 7.989 -5.357 0.300 519 3HG2 ILE 72 3HG2 ILE 72 7.410 -4.534 -1.140 520 1HD1 ILE 72 1HD1 ILE 72 9.806 -4.713 1.975 521 2HD1 ILE 72 2HD1 ILE 72 10.211 -6.244 1.158 522 3HD1 ILE 72 3HD1 ILE 72 11.487 -5.240 1.862 523 HA PRO 73 HA PRO 73 8.248 -1.173 -0.039 524 1HB PRO 73 1HB PRO 73 7.527 1.418 -0.428 525 2HB PRO 73 2HB PRO 73 8.648 0.891 0.849 526 1HG PRO 73 1HG PRO 73 9.310 2.044 -1.865 527 2HG PRO 73 2HG PRO 73 10.058 2.459 -0.297 528 1HD PRO 73 1HD PRO 73 11.218 0.729 -2.066 529 2HD PRO 73 2HD PRO 73 11.362 0.493 -0.303 530 H THR 74 H THR 74 6.476 -1.953 -1.031 531 HA THR 74 HA THR 74 5.776 -1.018 -3.786 532 HB THR 74 HB THR 74 4.963 -3.634 -2.468 533 HG1 THR 74 1HG THR 74 7.233 -3.060 -3.990 534 1HG2 THR 74 1HG2 THR 74 3.359 -3.022 -4.125 535 2HG2 THR 74 2HG2 THR 74 4.620 -2.639 -5.303 536 3HG2 THR 74 3HG2 THR 74 4.373 -4.313 -4.783 537 H LEU 75 H LEU 75 3.650 -0.304 -4.086 538 HA LEU 75 HA LEU 75 1.809 -0.346 -1.773 539 1HB LEU 75 1HB LEU 75 2.947 1.921 -2.125 540 2HB LEU 75 2HB LEU 75 2.102 2.006 -3.654 541 HG LEU 75 HG LEU 75 0.368 1.266 -1.313 542 1HD1 LEU 75 1HD1 LEU 75 1.802 2.867 -0.224 543 2HD1 LEU 75 2HD1 LEU 75 1.596 4.021 -1.562 544 3HD1 LEU 75 3HD1 LEU 75 0.222 3.609 -0.517 545 1HD2 LEU 75 1HD2 LEU 75 -0.580 1.670 -3.573 546 2HD2 LEU 75 2HD2 LEU 75 -1.196 2.814 -2.378 547 3HD2 LEU 75 3HD2 LEU 75 0.053 3.327 -3.535 548 H ILE 76 H ILE 76 -0.189 -1.172 -2.462 549 HA ILE 76 HA ILE 76 -0.817 -0.914 -5.346 550 HB ILE 76 HB ILE 76 -1.277 -3.410 -3.691 551 1HG1 ILE 76 1HG1 ILE 76 0.733 -2.813 -5.881 552 2HG1 ILE 76 2HG1 ILE 76 1.055 -3.345 -4.232 553 1HG2 ILE 76 1HG2 ILE 76 -1.796 -2.913 -6.667 554 2HG2 ILE 76 2HG2 ILE 76 -2.141 -4.397 -5.767 555 3HG2 ILE 76 3HG2 ILE 76 -3.063 -2.961 -5.419 556 1HD1 ILE 76 1HD1 ILE 76 1.472 -5.127 -5.758 557 2HD1 ILE 76 2HD1 ILE 76 0.066 -5.569 -4.765 558 3HD1 ILE 76 3HD1 ILE 76 -0.129 -5.045 -6.462 559 H LEU 77 H LEU 77 -2.951 -0.541 -5.716 560 HA LEU 77 HA LEU 77 -4.705 -0.142 -3.359 561 1HB LEU 77 1HB LEU 77 -3.913 1.985 -4.393 562 2HB LEU 77 2HB LEU 77 -4.770 1.562 -5.881 563 HG LEU 77 HG LEU 77 -6.186 1.665 -3.213 564 1HD1 LEU 77 1HD1 LEU 77 -6.763 4.037 -3.622 565 2HD1 LEU 77 2HD1 LEU 77 -5.049 3.775 -3.316 566 3HD1 LEU 77 3HD1 LEU 77 -5.611 4.054 -4.977 567 1HD2 LEU 77 1HD2 LEU 77 -7.528 0.776 -5.091 568 2HD2 LEU 77 2HD2 LEU 77 -8.144 2.334 -4.563 569 3HD2 LEU 77 3HD2 LEU 77 -7.153 2.240 -6.022 570 H PHE 78 H PHE 78 -6.632 -1.171 -3.495 571 HA PHE 78 HA PHE 78 -7.194 -2.871 -5.871 572 1HB PHE 78 1HB PHE 78 -7.257 -3.577 -2.904 573 2HB PHE 78 2HB PHE 78 -7.807 -4.625 -4.184 574 HD1 PHE 78 1HD PHE 78 -4.810 -3.243 -2.504 575 HD2 PHE 78 2HD PHE 78 -6.339 -6.030 -5.424 576 HE1 PHE 78 1HE PHE 78 -2.717 -4.559 -2.362 577 HE2 PHE 78 2HE PHE 78 -4.228 -7.301 -5.324 578 HZ PHE 78 HZ PHE 78 -2.402 -6.565 -3.817 579 H LYS 79 H LYS 79 -9.360 -3.722 -5.936 580 HA LYS 79 HA LYS 79 -11.123 -3.425 -3.756 581 1HB LYS 79 1HB LYS 79 -13.046 -2.485 -5.040 582 2HB LYS 79 2HB LYS 79 -11.868 -1.346 -4.451 583 1HG LYS 79 1HG LYS 79 -11.605 -2.327 -7.307 584 2HG LYS 79 2HG LYS 79 -12.957 -1.278 -6.922 585 1HD LYS 79 1HD LYS 79 -10.010 -0.608 -6.609 586 2HD LYS 79 2HD LYS 79 -11.147 0.060 -7.775 587 1HE LYS 79 1HE LYS 79 -11.062 0.520 -4.777 588 2HE LYS 79 2HE LYS 79 -10.790 1.703 -6.063 589 1HZ LYS 79 1HZ LYS 79 -12.962 2.018 -5.207 590 2HZ LYS 79 2HZ LYS 79 -13.174 1.305 -6.677 591 3HZ LYS 79 3HZ LYS 79 -13.355 0.435 -5.283 592 H GLY 80 H GLY 80 -12.846 -4.944 -3.948 593 1HA GLY 80 1HA GLY 80 -13.702 -7.002 -4.564 594 2HA GLY 80 2HA GLY 80 -13.450 -6.517 -6.246 595 H GLY 81 H GLY 81 -10.665 -6.641 -4.096 596 1HA GLY 81 1HA GLY 81 -8.831 -8.015 -4.047 597 2HA GLY 81 2HA GLY 81 -9.696 -9.241 -4.977 598 H GLU 82 H GLU 82 -10.080 -6.489 -6.853 599 HA GLU 82 HA GLU 82 -8.002 -7.367 -8.697 600 1HB GLU 82 1HB GLU 82 -10.389 -6.909 -9.370 601 2HB GLU 82 2HB GLU 82 -10.138 -5.213 -8.967 602 1HG GLU 82 1HG GLU 82 -9.863 -5.309 -11.285 603 2HG GLU 82 2HG GLU 82 -8.216 -5.211 -10.673 604 HA PRO 83 HA PRO 83 -5.513 -3.825 -7.129 605 1HB PRO 83 1HB PRO 83 -3.205 -4.318 -8.502 606 2HB PRO 83 2HB PRO 83 -3.705 -5.262 -7.069 607 1HG PRO 83 1HG PRO 83 -4.026 -6.024 -9.971 608 2HG PRO 83 2HG PRO 83 -3.441 -7.024 -8.602 609 1HD PRO 83 1HD PRO 83 -6.019 -7.092 -9.519 610 2HD PRO 83 2HD PRO 83 -5.602 -7.379 -7.807 611 H VAL 84 H VAL 84 -6.309 -1.883 -8.027 612 HA VAL 84 HA VAL 84 -6.683 -1.640 -10.895 613 HB VAL 84 HB VAL 84 -7.075 0.785 -10.198 614 1HG1 VAL 84 1HG1 VAL 84 -9.396 0.292 -9.510 615 2HG1 VAL 84 2HG1 VAL 84 -8.873 -0.807 -10.792 616 3HG1 VAL 84 3HG1 VAL 84 -8.925 -1.385 -9.117 617 1HG2 VAL 84 1HG2 VAL 84 -7.749 1.314 -7.990 618 2HG2 VAL 84 2HG2 VAL 84 -7.404 -0.321 -7.408 619 3HG2 VAL 84 3HG2 VAL 84 -6.074 0.744 -7.934 620 H LYS 85 H LYS 85 -4.241 -0.582 -8.527 621 HA LYS 85 HA LYS 85 -2.321 -0.480 -10.676 622 1HB LYS 85 1HB LYS 85 -1.507 1.861 -10.194 623 2HB LYS 85 2HB LYS 85 -3.023 1.716 -11.070 624 1HG LYS 85 1HG LYS 85 -4.300 2.266 -9.029 625 2HG LYS 85 2HG LYS 85 -2.810 2.304 -8.076 626 1HD LYS 85 1HD LYS 85 -3.696 4.555 -8.712 627 2HD LYS 85 2HD LYS 85 -2.030 4.271 -9.268 628 1HE LYS 85 1HE LYS 85 -2.671 3.958 -11.500 629 2HE LYS 85 2HE LYS 85 -4.369 3.683 -11.073 630 1HZ LYS 85 1HZ LYS 85 -4.588 6.006 -10.515 631 2HZ LYS 85 2HZ LYS 85 -3.013 6.303 -10.781 632 3HZ LYS 85 3HZ LYS 85 -4.079 5.873 -12.019 633 H GLN 86 H GLN 86 -0.130 -0.074 -9.959 634 HA GLN 86 HA GLN 86 0.455 -0.688 -7.143 635 1HB GLN 86 1HB GLN 86 0.654 -2.806 -8.274 636 2HB GLN 86 2HB GLN 86 1.425 -2.068 -9.678 637 1HG GLN 86 1HG GLN 86 3.461 -1.613 -8.419 638 2HG GLN 86 2HG GLN 86 2.736 -2.184 -6.925 639 1HE2 GLN 86 1HE2 GLN 86 3.494 -3.322 -10.312 640 2HE2 GLN 86 2HE2 GLN 86 3.880 -4.950 -9.761 641 H LEU 87 H LEU 87 2.244 0.403 -6.411 642 HA LEU 87 HA LEU 87 3.976 1.930 -8.274 643 1HB LEU 87 1HB LEU 87 2.952 2.660 -5.490 644 2HB LEU 87 2HB LEU 87 4.421 3.334 -6.142 645 HG LEU 87 HG LEU 87 2.684 4.916 -6.347 646 1HD1 LEU 87 1HD1 LEU 87 4.424 4.577 -8.198 647 2HD1 LEU 87 2HD1 LEU 87 3.096 3.900 -9.169 648 3HD1 LEU 87 3HD1 LEU 87 3.016 5.576 -8.551 649 1HD2 LEU 87 1HD2 LEU 87 0.722 3.349 -6.464 650 2HD2 LEU 87 2HD2 LEU 87 0.679 4.709 -7.619 651 3HD2 LEU 87 3HD2 LEU 87 1.090 3.091 -8.183 652 H ILE 88 H ILE 88 6.208 1.800 -7.663 653 HA ILE 88 HA ILE 88 6.987 0.067 -5.450 654 HB ILE 88 HB ILE 88 8.635 -1.069 -7.036 655 1HG1 ILE 88 1HG1 ILE 88 6.640 -0.182 -9.183 656 2HG1 ILE 88 2HG1 ILE 88 8.328 0.319 -9.052 657 1HG2 ILE 88 1HG2 ILE 88 6.733 -2.147 -5.928 658 2HG2 ILE 88 2HG2 ILE 88 5.689 -1.771 -7.319 659 3HG2 ILE 88 3HG2 ILE 88 7.062 -2.880 -7.489 660 1HD1 ILE 88 1HD1 ILE 88 8.995 -2.097 -9.357 661 2HD1 ILE 88 2HD1 ILE 88 7.284 -2.462 -9.695 662 3HD1 ILE 88 3HD1 ILE 88 8.171 -1.359 -10.750 663 H GLY 89 H GLY 89 8.656 0.930 -4.458 664 1HA GLY 89 1HA GLY 89 10.835 2.005 -4.432 665 2HA GLY 89 2HA GLY 89 10.370 2.960 -5.849 666 H TYR 90 H TYR 90 11.400 4.286 -3.744 667 HA TYR 90 HA TYR 90 9.374 5.264 -1.891 668 1HB TYR 90 1HB TYR 90 11.594 5.022 -1.064 669 2HB TYR 90 2HB TYR 90 12.268 5.913 -2.418 670 HD1 TYR 90 1HD TYR 90 9.321 6.987 -0.329 671 HD2 TYR 90 2HD TYR 90 13.481 7.599 -1.291 672 HE1 TYR 90 1HE TYR 90 9.322 9.017 1.039 673 HE2 TYR 90 2HE TYR 90 13.483 9.667 0.079 674 HH TYR 90 HH TYR 90 10.615 10.725 1.936 675 H GLN 91 H GLN 91 7.891 5.831 -3.726 676 HA GLN 91 HA GLN 91 8.501 8.271 -5.200 677 1HB GLN 91 1HB GLN 91 5.638 7.454 -4.804 678 2HB GLN 91 2HB GLN 91 6.431 8.171 -6.161 679 1HG GLN 91 1HG GLN 91 6.772 5.250 -5.380 680 2HG GLN 91 2HG GLN 91 5.678 5.872 -6.603 681 1HE2 GLN 91 1HE2 GLN 91 6.587 7.044 -8.478 682 2HE2 GLN 91 2HE2 GLN 91 8.206 6.549 -9.023 683 HA PRO 92 HA PRO 92 7.511 10.661 -1.464 684 1HB PRO 92 1HB PRO 92 7.726 13.215 -2.442 685 2HB PRO 92 2HB PRO 92 9.146 12.173 -2.115 686 1HG PRO 92 1HG PRO 92 7.738 12.621 -4.765 687 2HG PRO 92 2HG PRO 92 9.496 12.709 -4.420 688 1HD PRO 92 1HD PRO 92 8.343 10.468 -5.457 689 2HD PRO 92 2HD PRO 92 9.677 10.355 -4.270 690 H LYS 93 H LYS 93 5.782 12.292 -0.826 691 HA LYS 93 HA LYS 93 3.285 11.390 -1.424 692 1HB LYS 93 1HB LYS 93 4.498 13.768 -0.099 693 2HB LYS 93 2HB LYS 93 2.868 14.045 -0.665 694 1HG LYS 93 1HG LYS 93 3.496 11.528 0.882 695 2HG LYS 93 2HG LYS 93 3.308 13.060 1.721 696 1HD LYS 93 1HD LYS 93 1.187 11.991 -0.146 697 2HD LYS 93 2HD LYS 93 1.292 11.544 1.550 698 1HE LYS 93 1HE LYS 93 0.999 14.409 0.579 699 2HE LYS 93 2HE LYS 93 -0.350 13.371 1.028 700 1HZ LYS 93 1HZ LYS 93 1.814 14.180 2.904 701 2HZ LYS 93 2HZ LYS 93 0.306 14.803 2.830 702 3HZ LYS 93 3HZ LYS 93 0.493 13.240 3.271 703 H GLU 94 H GLU 94 4.764 14.320 -2.920 704 HA GLU 94 HA GLU 94 2.481 14.956 -4.458 705 1HB GLU 94 1HB GLU 94 4.389 16.455 -3.849 706 2HB GLU 94 2HB GLU 94 5.442 15.559 -4.946 707 1HG GLU 94 1HG GLU 94 4.112 16.313 -6.880 708 2HG GLU 94 2HG GLU 94 2.949 17.098 -5.799 709 H GLN 95 H GLN 95 4.742 12.344 -4.974 710 HA GLN 95 HA GLN 95 4.123 12.166 -7.862 711 1HB GLN 95 1HB GLN 95 6.473 11.765 -6.677 712 2HB GLN 95 2HB GLN 95 5.793 10.261 -6.139 713 1HG GLN 95 1HG GLN 95 6.434 11.151 -8.953 714 2HG GLN 95 2HG GLN 95 7.145 9.835 -8.027 715 1HE2 GLN 95 1HE2 GLN 95 4.563 10.743 -10.209 716 2HE2 GLN 95 2HE2 GLN 95 3.939 9.126 -10.442 717 H LEU 96 H LEU 96 4.002 10.305 -4.850 718 HA LEU 96 HA LEU 96 2.507 8.085 -5.700 719 1HB LEU 96 1HB LEU 96 3.894 8.696 -3.557 720 2HB LEU 96 2HB LEU 96 2.350 9.244 -2.950 721 HG LEU 96 HG LEU 96 3.024 6.437 -3.912 722 1HD1 LEU 96 1HD1 LEU 96 2.347 7.493 -1.132 723 2HD1 LEU 96 2HD1 LEU 96 2.882 5.860 -1.590 724 3HD1 LEU 96 3HD1 LEU 96 4.001 7.224 -1.721 725 1HD2 LEU 96 1HD2 LEU 96 0.796 5.819 -2.874 726 2HD2 LEU 96 2HD2 LEU 96 0.423 7.546 -2.778 727 3HD2 LEU 96 3HD2 LEU 96 0.653 6.764 -4.358 728 H GLU 97 H GLU 97 1.378 11.006 -3.919 729 HA GLU 97 HA GLU 97 -1.366 10.234 -4.104 730 1HB GLU 97 1HB GLU 97 -0.062 11.616 -2.337 731 2HB GLU 97 2HB GLU 97 -0.324 12.990 -3.412 732 1HG GLU 97 1HG GLU 97 -2.629 13.002 -3.010 733 2HG GLU 97 2HG GLU 97 -2.681 11.270 -2.636 734 H ALA 98 H ALA 98 0.785 11.827 -6.388 735 HA ALA 98 HA ALA 98 -1.497 12.973 -7.873 736 1HB ALA 98 1HB ALA 98 1.418 12.593 -8.668 737 2HB ALA 98 2HB ALA 98 0.163 13.359 -9.662 738 3HB ALA 98 3HB ALA 98 0.636 14.096 -8.124 739 H GLN 99 H GLN 99 0.808 10.209 -8.198 740 HA GLN 99 HA GLN 99 -0.379 9.101 -10.499 741 1HB GLN 99 1HB GLN 99 1.897 8.574 -9.169 742 2HB GLN 99 2HB GLN 99 0.913 7.330 -8.411 743 1HG GLN 99 1HG GLN 99 1.964 6.293 -10.283 744 2HG GLN 99 2HG GLN 99 0.307 6.561 -10.804 745 1HE2 GLN 99 1HE2 GLN 99 0.148 7.544 -12.878 746 2HE2 GLN 99 2HE2 GLN 99 1.456 8.497 -13.564 747 H LEU 100 H LEU 100 -1.263 8.782 -7.125 748 HA LEU 100 HA LEU 100 -3.317 6.739 -7.673 749 1HB LEU 100 1HB LEU 100 -1.551 7.311 -5.514 750 2HB LEU 100 2HB LEU 100 -3.143 7.691 -4.930 751 HG LEU 100 HG LEU 100 -3.803 5.323 -5.854 752 1HD1 LEU 100 1HD1 LEU 100 -0.769 5.027 -5.721 753 2HD1 LEU 100 2HD1 LEU 100 -1.943 3.758 -6.141 754 3HD1 LEU 100 3HD1 LEU 100 -1.674 5.136 -7.232 755 1HD2 LEU 100 1HD2 LEU 100 -2.794 4.176 -3.865 756 2HD2 LEU 100 2HD2 LEU 100 -1.783 5.604 -3.579 757 3HD2 LEU 100 3HD2 LEU 100 -3.561 5.717 -3.457 758 H ALA 101 H ALA 101 -3.326 10.053 -7.987 759 HA ALA 101 HA ALA 101 -5.309 11.026 -6.323 760 1HB ALA 101 1HB ALA 101 -3.894 12.444 -7.763 761 2HB ALA 101 2HB ALA 101 -4.744 11.844 -9.204 762 3HB ALA 101 3HB ALA 101 -5.609 12.814 -7.989 763 H ASP 102 H ASP 102 -5.762 9.102 -9.273 764 HA ASP 102 HA ASP 102 -8.525 9.794 -9.764 765 1HB ASP 102 1HB ASP 102 -8.391 7.933 -11.369 766 2HB ASP 102 2HB ASP 102 -7.036 9.042 -11.546 767 H VAL 103 H VAL 103 -6.985 7.732 -7.410 768 HA VAL 103 HA VAL 103 -9.669 6.771 -6.653 769 HB VAL 103 HB VAL 103 -7.850 4.970 -5.564 770 1HG1 VAL 103 1HG1 VAL 103 -10.102 4.468 -6.381 771 2HG1 VAL 103 2HG1 VAL 103 -9.567 4.701 -8.057 772 3HG1 VAL 103 3HG1 VAL 103 -8.928 3.348 -7.103 773 1HG2 VAL 103 1HG2 VAL 103 -7.071 5.241 -8.483 774 2HG2 VAL 103 2HG2 VAL 103 -6.029 5.626 -7.091 775 3HG2 VAL 103 3HG2 VAL 103 -6.573 3.971 -7.367 776 H LEU 104 H LEU 104 -7.652 9.143 -5.940 777 HA LEU 104 HA LEU 104 -8.571 9.074 -3.149 778 1HB LEU 104 1HB LEU 104 -6.025 9.969 -4.476 779 2HB LEU 104 2HB LEU 104 -6.642 11.004 -3.233 780 HG LEU 104 HG LEU 104 -5.020 9.578 -2.253 781 1HD1 LEU 104 1HD1 LEU 104 -7.048 10.003 -0.880 782 2HD1 LEU 104 2HD1 LEU 104 -7.733 8.466 -1.444 783 3HD1 LEU 104 3HD1 LEU 104 -6.259 8.442 -0.494 784 1HD2 LEU 104 1HD2 LEU 104 -5.128 7.731 -3.940 785 2HD2 LEU 104 2HD2 LEU 104 -5.035 7.175 -2.254 786 3HD2 LEU 104 3HD2 LEU 104 -6.574 7.117 -3.127 787 H GLN 105 H GLN 105 -9.322 10.350 -6.095 788 HA GLN 105 HA GLN 105 -10.182 12.982 -5.346 789 1HB GLN 105 2HB GLN 105 -9.648 12.404 -7.637 790 2HB GLN 105 3HB GLN 105 -10.822 11.107 -7.611 791 1HG GLN 105 2HG GLN 105 -12.159 13.621 -6.943 792 2HG GLN 105 3HG GLN 105 -11.186 13.840 -8.386 793 1HE2 GLN 105 1HE2 GLN 105 -13.215 11.125 -7.082 794 2HE2 GLN 105 2HE2 GLN 105 -14.174 10.950 -8.571 Start of MODEL 14 1 1H ALA 1 H ALA 1 -9.738 4.403 6.576 2 2H ALA 1 2HN ALA 1 -8.329 5.224 6.737 3 3H ALA 1 3HN ALA 1 -8.380 3.870 5.794 4 HA ALA 1 HA ALA 1 -8.980 3.964 8.658 5 1HB ALA 1 1HB ALA 1 -10.001 2.077 7.516 6 2HB ALA 1 2HB ALA 1 -8.436 1.571 6.852 7 3HB ALA 1 3HB ALA 1 -8.728 1.513 8.611 8 H THR 2 H THR 2 -6.532 1.853 7.372 9 HA THR 2 HA THR 2 -4.266 1.989 7.282 10 HB THR 2 HB THR 2 -4.061 3.683 9.773 11 HG1 THR 2 1HG THR 2 -4.982 4.907 8.218 12 1HG2 THR 2 1HG2 THR 2 -2.139 2.184 9.142 13 2HG2 THR 2 2HG2 THR 2 -2.115 2.904 7.527 14 3HG2 THR 2 3HG2 THR 2 -1.726 3.894 8.948 15 H MET 3 H MET 3 -5.566 -0.051 7.713 16 HA MET 3 HA MET 3 -5.632 -0.981 10.474 17 1HB MET 3 1HB MET 3 -6.126 -2.373 7.813 18 2HB MET 3 2HB MET 3 -6.287 -3.165 9.390 19 1HG MET 3 1HG MET 3 -7.978 -1.497 10.062 20 2HG MET 3 2HG MET 3 -7.819 -0.692 8.496 21 1HE MET 3 1HE MET 3 -10.416 -0.738 8.202 22 2HE MET 3 2HE MET 3 -11.404 -2.212 8.331 23 3HE MET 3 3HE MET 3 -10.584 -1.566 9.771 24 H THR 4 H THR 4 -4.107 -2.145 11.555 25 HA THR 4 HA THR 4 -1.563 -2.873 10.406 26 HB THR 4 HB THR 4 -2.823 -3.801 12.992 27 HG1 THR 4 1HG THR 4 -1.721 -2.010 13.885 28 1HG2 THR 4 1HG2 THR 4 0.092 -3.452 12.143 29 2HG2 THR 4 2HG2 THR 4 -0.469 -4.005 13.738 30 3HG2 THR 4 3HG2 THR 4 -0.751 -5.006 12.306 31 H LEU 5 H LEU 5 -2.304 -4.016 8.578 32 HA LEU 5 HA LEU 5 -3.874 -6.466 8.735 33 1HB LEU 5 1HB LEU 5 -2.430 -4.845 6.704 34 2HB LEU 5 2HB LEU 5 -2.172 -6.562 6.482 35 HG LEU 5 HG LEU 5 -4.439 -7.054 6.160 36 1HD1 LEU 5 1HD1 LEU 5 -6.214 -5.322 6.127 37 2HD1 LEU 5 2HD1 LEU 5 -5.582 -5.627 7.736 38 3HD1 LEU 5 3HD1 LEU 5 -5.082 -4.177 6.879 39 1HD2 LEU 5 1HD2 LEU 5 -3.451 -4.594 4.659 40 2HD2 LEU 5 2HD2 LEU 5 -3.296 -6.284 4.195 41 3HD2 LEU 5 3HD2 LEU 5 -4.888 -5.502 4.162 42 H THR 6 H THR 6 -3.050 -8.638 8.412 43 HA THR 6 HA THR 6 -0.120 -8.871 8.551 44 HB THR 6 HB THR 6 -0.197 -10.976 9.649 45 HG1 THR 6 1HG THR 6 -1.894 -12.076 9.473 46 1HG2 THR 6 1HG2 THR 6 -0.831 -10.321 11.895 47 2HG2 THR 6 2HG2 THR 6 -0.075 -8.944 11.072 48 3HG2 THR 6 3HG2 THR 6 -1.843 -8.997 11.281 49 H ASP 7 H ASP 7 -2.427 -11.324 7.912 50 HA ASP 7 HA ASP 7 -1.564 -11.513 5.077 51 1HB ASP 7 1HB ASP 7 -1.078 -13.918 5.612 52 2HB ASP 7 2HB ASP 7 -0.079 -12.813 6.555 53 H ALA 8 H ALA 8 -3.598 -13.643 7.195 54 HA ALA 8 HA ALA 8 -5.698 -13.984 5.446 55 1HB ALA 8 1HB ALA 8 -7.011 -14.493 7.491 56 2HB ALA 8 2HB ALA 8 -5.372 -15.181 7.598 57 3HB ALA 8 3HB ALA 8 -5.774 -13.694 8.487 58 H ASN 9 H ASN 9 -4.941 -11.110 7.355 59 HA ASN 9 HA ASN 9 -7.682 -10.111 6.908 60 1HB ASN 9 1HB ASN 9 -6.380 -9.653 9.082 61 2HB ASN 9 2HB ASN 9 -5.590 -8.377 8.136 62 1HD2 ASN 9 1HD2 ASN 9 -8.922 -9.711 8.799 63 2HD2 ASN 9 2HD2 ASN 9 -9.731 -8.175 8.563 64 H PHE 10 H PHE 10 -4.742 -10.095 5.148 65 HA PHE 10 HA PHE 10 -5.237 -7.630 3.671 66 1HB PHE 10 1HB PHE 10 -2.972 -8.647 3.740 67 2HB PHE 10 2HB PHE 10 -3.604 -10.115 3.053 68 HD1 PHE 10 1HD PHE 10 -4.607 -6.768 1.641 69 HD2 PHE 10 2HD PHE 10 -2.110 -10.266 1.283 70 HE1 PHE 10 1HE PHE 10 -4.160 -6.223 -0.716 71 HE2 PHE 10 2HE PHE 10 -1.577 -9.657 -1.043 72 HZ PHE 10 HZ PHE 10 -2.642 -7.674 -2.072 73 H GLN 11 H GLN 11 -5.717 -11.113 3.061 74 HA GLN 11 HA GLN 11 -7.265 -10.772 0.685 75 1HB GLN 11 1HB GLN 11 -5.998 -12.798 1.382 76 2HB GLN 11 2HB GLN 11 -7.163 -13.091 2.681 77 1HG GLN 11 1HG GLN 11 -8.940 -13.489 1.057 78 2HG GLN 11 2HG GLN 11 -7.888 -12.981 -0.278 79 1HE2 GLN 11 1HE2 GLN 11 -6.461 -14.519 -1.189 80 2HE2 GLN 11 2HE2 GLN 11 -5.993 -15.991 -0.391 81 H GLN 12 H GLN 12 -8.192 -10.663 4.141 82 HA GLN 12 HA GLN 12 -11.040 -10.623 3.579 83 1HB GLN 12 1HB GLN 12 -10.071 -11.182 5.787 84 2HB GLN 12 2HB GLN 12 -9.516 -9.516 5.971 85 1HG GLN 12 1HG GLN 12 -12.451 -10.008 5.439 86 2HG GLN 12 2HG GLN 12 -11.799 -10.397 7.025 87 1HE2 GLN 12 1HE2 GLN 12 -12.437 -7.685 4.770 88 2HE2 GLN 12 2HE2 GLN 12 -12.259 -6.462 6.036 89 H ALA 13 H ALA 13 -8.559 -8.008 4.107 90 HA ALA 13 HA ALA 13 -10.440 -5.906 4.022 91 1HB ALA 13 1HB ALA 13 -8.453 -4.447 3.741 92 2HB ALA 13 2HB ALA 13 -8.235 -5.658 5.018 93 3HB ALA 13 3HB ALA 13 -7.450 -5.883 3.434 94 H ILE 14 H ILE 14 -8.478 -7.353 1.430 95 HA ILE 14 HA ILE 14 -8.968 -5.523 -0.642 96 HB ILE 14 HB ILE 14 -7.345 -7.480 -0.433 97 1HG1 ILE 14 1HG1 ILE 14 -8.643 -7.141 -3.137 98 2HG1 ILE 14 2HG1 ILE 14 -7.341 -6.167 -2.439 99 1HG2 ILE 14 1HG2 ILE 14 -9.273 -9.083 -0.001 100 2HG2 ILE 14 2HG2 ILE 14 -9.557 -9.068 -1.751 101 3HG2 ILE 14 3HG2 ILE 14 -8.008 -9.649 -1.091 102 1HD1 ILE 14 1HD1 ILE 14 -5.937 -8.259 -2.231 103 2HD1 ILE 14 2HD1 ILE 14 -7.204 -9.154 -3.096 104 3HD1 ILE 14 3HD1 ILE 14 -6.354 -7.856 -3.913 105 H GLN 15 H GLN 15 -11.236 -7.695 0.747 106 HA GLN 15 HA GLN 15 -12.454 -8.836 -1.401 107 1HB GLN 15 1HB GLN 15 -14.226 -9.487 0.068 108 2HB GLN 15 2HB GLN 15 -12.731 -9.439 0.996 109 1HG GLN 15 1HG GLN 15 -13.482 -7.051 1.725 110 2HG GLN 15 2HG GLN 15 -15.059 -7.472 1.051 111 1HE2 GLN 15 1HE2 GLN 15 -14.780 -6.749 3.722 112 2HE2 GLN 15 2HE2 GLN 15 -15.080 -8.177 4.712 113 H GLY 16 H GLY 16 -13.290 -5.657 -0.091 114 1HA GLY 16 1HA GLY 16 -14.428 -4.351 -2.179 115 2HA GLY 16 2HA GLY 16 -15.755 -5.381 -1.593 116 H ASP 17 H ASP 17 -15.014 -2.418 -1.406 117 HA ASP 17 HA ASP 17 -15.767 -1.677 1.285 118 1HB ASP 17 1HB ASP 17 -13.524 -2.512 1.841 119 2HB ASP 17 2HB ASP 17 -12.824 -1.688 0.459 120 H GLY 18 H GLY 18 -13.537 -0.784 -1.334 121 1HA GLY 18 1HA GLY 18 -14.494 1.354 -2.718 122 2HA GLY 18 2HA GLY 18 -13.991 1.958 -1.103 123 HA PRO 19 HA PRO 19 -9.940 1.416 -3.459 124 1HB PRO 19 1HB PRO 19 -8.765 3.601 -2.110 125 2HB PRO 19 2HB PRO 19 -9.452 3.598 -3.743 126 1HG PRO 19 1HG PRO 19 -10.756 4.447 -1.171 127 2HG PRO 19 2HG PRO 19 -10.873 5.219 -2.780 128 1HD PRO 19 1HD PRO 19 -12.828 3.660 -1.732 129 2HD PRO 19 2HD PRO 19 -12.462 3.621 -3.484 130 H VAL 20 H VAL 20 -9.236 -0.398 -2.534 131 HA VAL 20 HA VAL 20 -8.481 -0.467 0.335 132 HB VAL 20 HB VAL 20 -8.583 -2.790 -1.699 133 1HG1 VAL 20 1HG1 VAL 20 -7.681 -2.530 1.225 134 2HG1 VAL 20 2HG1 VAL 20 -8.073 -4.072 0.491 135 3HG1 VAL 20 3HG1 VAL 20 -6.725 -3.132 -0.147 136 1HG2 VAL 20 1HG2 VAL 20 -10.794 -1.913 -0.802 137 2HG2 VAL 20 2HG2 VAL 20 -10.400 -3.612 -0.511 138 3HG2 VAL 20 3HG2 VAL 20 -10.229 -2.443 0.796 139 H LEU 21 H LEU 21 -6.439 -0.148 0.851 140 HA LEU 21 HA LEU 21 -4.412 0.000 -1.363 141 1HB LEU 21 1HB LEU 21 -5.431 2.178 -0.952 142 2HB LEU 21 2HB LEU 21 -4.968 2.132 0.738 143 HG LEU 21 HG LEU 21 -2.964 2.004 -1.564 144 1HD1 LEU 21 1HD1 LEU 21 -3.878 4.432 0.041 145 2HD1 LEU 21 2HD1 LEU 21 -2.640 4.389 -1.238 146 3HD1 LEU 21 3HD1 LEU 21 -4.330 4.082 -1.643 147 1HD2 LEU 21 1HD2 LEU 21 -1.849 1.306 0.482 148 2HD2 LEU 21 2HD2 LEU 21 -1.412 2.978 0.233 149 3HD2 LEU 21 3HD2 LEU 21 -2.659 2.578 1.420 150 H VAL 22 H VAL 22 -2.577 -1.144 -0.879 151 HA VAL 22 HA VAL 22 -2.273 -1.891 1.986 152 HB VAL 22 HB VAL 22 -3.067 -3.593 -0.043 153 1HG1 VAL 22 1HG1 VAL 22 -0.145 -4.212 0.435 154 2HG1 VAL 22 2HG1 VAL 22 -1.334 -5.231 -0.399 155 3HG1 VAL 22 3HG1 VAL 22 -0.853 -3.681 -1.108 156 1HG2 VAL 22 1HG2 VAL 22 -2.498 -5.347 1.687 157 2HG2 VAL 22 2HG2 VAL 22 -1.643 -4.097 2.595 158 3HG2 VAL 22 3HG2 VAL 22 -3.393 -3.950 2.312 159 H ASP 23 H ASP 23 -0.511 -1.117 2.896 160 HA ASP 23 HA ASP 23 1.638 -0.120 1.176 161 1HB ASP 23 1HB ASP 23 0.271 0.971 3.246 162 2HB ASP 23 2HB ASP 23 1.556 0.237 4.161 163 H PHE 24 H PHE 24 2.962 -1.795 0.611 164 HA PHE 24 HA PHE 24 3.624 -3.992 2.475 165 1HB PHE 24 1HB PHE 24 4.068 -3.475 -0.450 166 2HB PHE 24 2HB PHE 24 5.025 -4.663 0.349 167 HD1 PHE 24 1HD PHE 24 3.824 -6.441 1.744 168 HD2 PHE 24 2HD PHE 24 2.011 -4.213 -1.461 169 HE1 PHE 24 1HE PHE 24 2.424 -8.387 1.197 170 HE2 PHE 24 2HE PHE 24 0.557 -6.139 -1.975 171 HZ PHE 24 HZ PHE 24 0.854 -8.304 -0.681 172 H TRP 25 H TRP 25 5.134 -3.585 3.824 173 HA TRP 25 HA TRP 25 7.643 -2.270 2.928 174 1HB TRP 25 1HB TRP 25 7.859 -1.023 4.920 175 2HB TRP 25 2HB TRP 25 6.247 -0.686 4.320 176 HD1 TRP 25 HD TRP 25 4.212 -2.132 5.632 177 HE1 TRP 25 1HE TRP 25 4.029 -2.862 8.080 178 HE3 TRP 25 3HE TRP 25 9.065 -1.479 7.001 179 HZ2 TRP 25 2HZ TRP 25 5.908 -3.417 10.307 180 HZ3 TRP 25 3HZ TRP 25 9.858 -2.101 9.285 181 HH2 TRP 25 HH TRP 25 8.274 -3.084 10.920 182 H ALA 26 H ALA 26 9.389 -2.881 4.835 183 HA ALA 26 HA ALA 26 8.977 -5.578 5.853 184 1HB ALA 26 1HB ALA 26 11.338 -4.933 4.020 185 2HB ALA 26 2HB ALA 26 10.961 -6.468 4.807 186 3HB ALA 26 3HB ALA 26 9.928 -5.875 3.514 187 H ALA 27 H ALA 27 10.842 -6.141 7.294 188 HA ALA 27 HA ALA 27 11.397 -3.842 8.936 189 1HB ALA 27 1HB ALA 27 10.922 -6.031 9.873 190 2HB ALA 27 2HB ALA 27 12.417 -6.690 9.163 191 3HB ALA 27 3HB ALA 27 12.493 -5.432 10.426 192 H TRP 28 H TRP 28 13.128 -4.918 6.185 193 HA TRP 28 HA TRP 28 15.653 -3.682 7.209 194 1HB TRP 28 1HB TRP 28 16.859 -5.369 6.403 195 2HB TRP 28 2HB TRP 28 15.377 -6.272 6.622 196 HD1 TRP 28 HD TRP 28 17.793 -4.974 4.069 197 HE1 TRP 28 1HE TRP 28 17.207 -5.712 1.693 198 HE3 TRP 28 3HE TRP 28 13.243 -7.207 4.982 199 HZ2 TRP 28 2HZ TRP 28 14.940 -6.839 0.311 200 HZ3 TRP 28 3HZ TRP 28 11.891 -8.046 3.094 201 HH2 TRP 28 HH TRP 28 12.710 -7.825 0.763 202 H CYS 29 H CYS 29 13.265 -3.203 4.832 203 HA CYS 29 HA CYS 29 14.761 -2.961 2.496 204 1HB CYS 29 1HB CYS 29 12.578 -2.037 1.593 205 2HB CYS 29 2HB CYS 29 12.599 -3.626 2.317 206 H GLY 30 H GLY 30 16.047 -1.085 4.200 207 1HA GLY 30 1HA GLY 30 16.935 1.048 4.263 208 2HA GLY 30 2HA GLY 30 17.055 0.716 2.549 209 HA PRO 31 HA PRO 31 14.806 4.578 1.973 210 1HB PRO 31 1HB PRO 31 13.513 4.088 -0.430 211 2HB PRO 31 2HB PRO 31 15.243 4.532 -0.268 212 1HG PRO 31 1HG PRO 31 14.021 1.769 -0.558 213 2HG PRO 31 2HG PRO 31 15.418 2.464 -1.449 214 1HD PRO 31 1HD PRO 31 15.817 0.848 0.660 215 2HD PRO 31 2HD PRO 31 16.815 2.321 0.479 216 H CYS 32 H CYS 32 13.060 1.505 2.107 217 HA CYS 32 HA CYS 32 10.437 2.667 2.319 218 1HB CYS 32 1HB CYS 32 9.725 0.670 3.316 219 2HB CYS 32 2HB CYS 32 10.922 0.225 2.107 220 H ARG 33 H ARG 33 13.198 2.785 4.562 221 HA ARG 33 HA ARG 33 11.554 3.520 6.836 222 1HB ARG 33 1HB ARG 33 14.094 2.625 6.668 223 2HB ARG 33 2HB ARG 33 14.439 4.341 6.607 224 1HG ARG 33 1HG ARG 33 14.478 4.262 8.811 225 2HG ARG 33 2HG ARG 33 12.724 4.342 8.717 226 1HD ARG 33 1HD ARG 33 14.495 1.878 8.975 227 2HD ARG 33 2HD ARG 33 13.416 2.568 10.177 228 HE ARG 33 HE ARG 33 12.806 0.696 8.100 229 1HH1 ARG 33 2HH2 ARG 33 11.251 3.319 9.891 230 2HH1 ARG 33 1HH2 ARG 33 9.638 2.738 9.647 231 1HH2 ARG 33 2HH1 ARG 33 10.706 -0.090 7.759 232 2HH2 ARG 33 1HH1 ARG 33 9.332 0.713 8.423 233 H MET 34 H MET 34 12.472 5.212 3.971 234 HA MET 34 HA MET 34 11.969 7.850 5.190 235 1HB MET 34 1HB MET 34 13.108 6.980 2.486 236 2HB MET 34 2HB MET 34 12.760 8.654 2.921 237 1HG MET 34 1HG MET 34 14.305 8.425 4.880 238 2HG MET 34 2HG MET 34 14.753 6.819 4.302 239 1HE MET 34 1HE MET 34 16.209 6.347 2.152 240 2HE MET 34 2HE MET 34 14.981 7.145 1.132 241 3HE MET 34 3HE MET 34 16.692 7.598 0.985 242 H MET 35 H MET 35 10.713 5.485 2.880 243 HA MET 35 HA MET 35 8.531 7.159 2.009 244 1HB MET 35 1HB MET 35 9.562 4.950 0.889 245 2HB MET 35 2HB MET 35 8.349 4.145 1.869 246 1HG MET 35 1HG MET 35 6.610 5.521 0.780 247 2HG MET 35 2HG MET 35 7.841 6.423 -0.105 248 1HE MET 35 1HE MET 35 5.171 4.555 -1.209 249 2HE MET 35 2HE MET 35 6.080 5.768 -2.145 250 3HE MET 35 3HE MET 35 5.904 4.103 -2.760 251 H ALA 36 H ALA 36 8.929 4.561 4.552 252 HA ALA 36 HA ALA 36 6.284 4.322 5.285 253 1HB ALA 36 1HB ALA 36 7.955 2.851 6.185 254 2HB ALA 36 2HB ALA 36 8.749 4.181 7.058 255 3HB ALA 36 3HB ALA 36 7.121 3.648 7.530 256 HA PRO 37 HA PRO 37 6.286 8.211 8.002 257 1HB PRO 37 1HB PRO 37 8.181 10.181 7.546 258 2HB PRO 37 2HB PRO 37 8.244 8.966 8.862 259 1HG PRO 37 1HG PRO 37 9.654 8.940 6.215 260 2HG PRO 37 2HG PRO 37 10.289 8.469 7.815 261 1HD PRO 37 1HD PRO 37 9.436 6.619 6.010 262 2HD PRO 37 2HD PRO 37 9.205 6.393 7.761 263 H VAL 38 H VAL 38 7.695 8.683 4.578 264 HA VAL 38 HA VAL 38 6.018 10.977 4.214 265 HB VAL 38 HB VAL 38 8.036 9.806 2.760 266 1HG1 VAL 38 1HG1 VAL 38 5.621 9.595 0.922 267 2HG1 VAL 38 2HG1 VAL 38 7.327 9.322 0.519 268 3HG1 VAL 38 3HG1 VAL 38 6.488 8.205 1.600 269 1HG2 VAL 38 1HG2 VAL 38 6.068 11.922 1.833 270 2HG2 VAL 38 2HG2 VAL 38 7.477 12.184 2.875 271 3HG2 VAL 38 3HG2 VAL 38 7.718 11.674 1.196 272 H LEU 39 H LEU 39 5.339 7.585 3.937 273 HA LEU 39 HA LEU 39 2.835 7.605 2.656 274 1HB LEU 39 1HB LEU 39 4.371 5.711 4.434 275 2HB LEU 39 2HB LEU 39 2.773 5.313 3.864 276 HG LEU 39 HG LEU 39 4.938 6.134 1.911 277 1HD1 LEU 39 1HD1 LEU 39 5.258 3.628 1.513 278 2HD1 LEU 39 2HD1 LEU 39 5.946 4.237 3.017 279 3HD1 LEU 39 3HD1 LEU 39 4.427 3.366 3.049 280 1HD2 LEU 39 1HD2 LEU 39 2.420 4.491 1.630 281 2HD2 LEU 39 2HD2 LEU 39 2.718 6.126 0.985 282 3HD2 LEU 39 3HD2 LEU 39 3.628 4.731 0.368 283 H GLU 40 H GLU 40 3.708 8.746 5.834 284 HA GLU 40 HA GLU 40 1.101 8.090 6.992 285 1HB GLU 40 1HB GLU 40 3.371 7.873 8.146 286 2HB GLU 40 2HB GLU 40 3.354 9.629 8.324 287 1HG GLU 40 1HG GLU 40 1.567 9.571 9.844 288 2HG GLU 40 2HG GLU 40 0.898 8.083 9.177 289 H GLU 41 H GLU 41 3.032 11.137 6.270 290 HA GLU 41 HA GLU 41 0.884 12.941 6.358 291 1HB GLU 41 1HB GLU 41 3.067 12.842 4.212 292 2HB GLU 41 2HB GLU 41 1.973 14.185 4.509 293 1HG GLU 41 1HG GLU 41 3.886 14.895 5.554 294 2HG GLU 41 2HG GLU 41 2.942 14.264 6.904 295 H PHE 42 H PHE 42 1.751 10.674 3.760 296 HA PHE 42 HA PHE 42 -0.339 11.266 1.896 297 1HB PHE 42 1HB PHE 42 1.565 9.884 1.309 298 2HB PHE 42 2HB PHE 42 1.162 8.758 2.583 299 HD1 PHE 42 1HD PHE 42 -0.163 10.130 -0.622 300 HD2 PHE 42 2HD PHE 42 -0.128 6.829 2.161 301 HE1 PHE 42 1HE PHE 42 -1.496 8.762 -2.207 302 HE2 PHE 42 2HE PHE 42 -1.465 5.484 0.572 303 HZ PHE 42 HZ PHE 42 -2.214 6.535 -1.611 304 H ALA 43 H ALA 43 -0.309 8.649 4.443 305 HA ALA 43 HA ALA 43 -2.969 7.929 4.085 306 1HB ALA 43 1HB ALA 43 -1.345 7.882 6.667 307 2HB ALA 43 2HB ALA 43 -2.827 6.957 6.357 308 3HB ALA 43 3HB ALA 43 -1.361 6.616 5.418 309 H GLU 44 H GLU 44 -1.699 10.392 6.356 310 HA GLU 44 HA GLU 44 -4.053 11.089 7.697 311 1HB GLU 44 1HB GLU 44 -1.801 11.864 8.320 312 2HB GLU 44 2HB GLU 44 -1.707 12.844 6.852 313 1HG GLU 44 1HG GLU 44 -3.685 14.182 7.670 314 2HG GLU 44 2HG GLU 44 -3.674 13.223 9.153 315 H ALA 45 H ALA 45 -2.754 12.438 4.657 316 HA ALA 45 HA ALA 45 -4.728 14.417 4.271 317 1HB ALA 45 1HB ALA 45 -3.895 14.499 1.957 318 2HB ALA 45 2HB ALA 45 -2.558 14.355 3.122 319 3HB ALA 45 3HB ALA 45 -3.088 12.931 2.184 320 H HIS 46 H HIS 46 -5.185 11.020 3.982 321 HA HIS 46 HA HIS 46 -7.945 11.470 3.160 322 1HB HIS 46 1HB HIS 46 -7.731 9.571 1.471 323 2HB HIS 46 2HB HIS 46 -7.110 11.155 0.997 324 HD1 HIS 46 1HD HIS 46 -5.599 7.990 2.625 325 HD2 HIS 46 2HD HIS 46 -4.773 11.125 -0.056 326 HE1 HIS 46 1HE HIS 46 -3.261 7.478 1.511 327 HE2 HIS 46 2HE HIS 46 -2.899 9.496 -0.200 328 H ALA 47 H ALA 47 -7.364 11.075 5.531 329 HA ALA 47 HA ALA 47 -6.439 8.836 6.678 330 1HB ALA 47 1HB ALA 47 -7.774 9.433 8.673 331 2HB ALA 47 2HB ALA 47 -7.063 10.869 7.912 332 3HB ALA 47 3HB ALA 47 -8.790 10.505 7.685 333 H ASP 48 H ASP 48 -9.888 9.271 5.760 334 HA ASP 48 HA ASP 48 -10.111 6.320 5.686 335 1HB ASP 48 1HB ASP 48 -10.994 7.514 7.856 336 2HB ASP 48 2HB ASP 48 -12.376 7.936 6.839 337 H LYS 49 H LYS 49 -10.179 8.777 3.651 338 HA LYS 49 HA LYS 49 -12.511 8.037 2.066 339 1HB LYS 49 1HB LYS 49 -11.360 10.128 1.570 340 2HB LYS 49 2HB LYS 49 -9.845 9.274 1.262 341 1HG LYS 49 1HG LYS 49 -10.753 8.143 -0.674 342 2HG LYS 49 2HG LYS 49 -12.370 8.772 -0.366 343 1HD LYS 49 1HD LYS 49 -9.969 10.524 -1.085 344 2HD LYS 49 2HD LYS 49 -11.053 9.773 -2.261 345 1HE LYS 49 1HE LYS 49 -12.980 10.915 -0.899 346 2HE LYS 49 2HE LYS 49 -11.687 11.955 -0.260 347 1HZ LYS 49 1HZ LYS 49 -11.128 12.394 -2.668 348 2HZ LYS 49 2HZ LYS 49 -12.414 11.584 -3.127 349 3HZ LYS 49 3HZ LYS 49 -12.632 12.958 -2.262 350 H VAL 50 H VAL 50 -9.285 6.667 2.655 351 HA VAL 50 HA VAL 50 -10.051 4.418 0.835 352 HB VAL 50 HB VAL 50 -7.795 4.073 0.191 353 1HG1 VAL 50 1HG1 VAL 50 -8.190 7.083 -0.031 354 2HG1 VAL 50 2HG1 VAL 50 -7.318 5.999 -1.141 355 3HG1 VAL 50 3HG1 VAL 50 -9.077 5.917 -1.014 356 1HG2 VAL 50 1HG2 VAL 50 -5.938 5.638 0.835 357 2HG2 VAL 50 2HG2 VAL 50 -7.006 6.314 2.091 358 3HG2 VAL 50 3HG2 VAL 50 -6.513 4.610 2.142 359 H THR 51 H THR 51 -9.738 2.295 1.593 360 HA THR 51 HA THR 51 -9.116 2.135 4.419 361 HB THR 51 HB THR 51 -11.124 1.027 3.506 362 HG1 THR 51 1HG THR 51 -10.938 -0.486 5.009 363 1HG2 THR 51 1HG2 THR 51 -9.159 -1.140 2.696 364 2HG2 THR 51 2HG2 THR 51 -10.907 -1.278 2.791 365 3HG2 THR 51 3HG2 THR 51 -10.199 -0.166 1.602 366 H VAL 52 H VAL 52 -7.147 3.094 3.937 367 HA VAL 52 HA VAL 52 -4.994 1.566 2.772 368 HB VAL 52 HB VAL 52 -4.471 3.757 2.904 369 1HG1 VAL 52 1HG1 VAL 52 -4.541 5.225 4.933 370 2HG1 VAL 52 2HG1 VAL 52 -6.140 4.705 4.411 371 3HG1 VAL 52 3HG1 VAL 52 -5.359 3.917 5.793 372 1HG2 VAL 52 1HG2 VAL 52 -2.572 2.394 3.703 373 2HG2 VAL 52 2HG2 VAL 52 -2.531 4.063 4.284 374 3HG2 VAL 52 3HG2 VAL 52 -3.041 2.766 5.373 375 H ALA 53 H ALA 53 -3.526 0.245 3.738 376 HA ALA 53 HA ALA 53 -3.690 -0.336 6.570 377 1HB ALA 53 1HB ALA 53 -4.155 -2.402 4.361 378 2HB ALA 53 2HB ALA 53 -3.728 -2.795 6.042 379 3HB ALA 53 3HB ALA 53 -5.281 -1.996 5.673 380 H LYS 54 H LYS 54 -1.773 -1.587 7.200 381 HA LYS 54 HA LYS 54 0.459 -1.270 5.247 382 1HB LYS 54 1HB LYS 54 0.362 0.734 6.631 383 2HB LYS 54 2HB LYS 54 0.252 -0.208 8.117 384 1HG LYS 54 1HG LYS 54 2.490 -0.789 8.120 385 2HG LYS 54 2HG LYS 54 2.674 -0.591 6.373 386 1HD LYS 54 1HD LYS 54 2.118 1.813 8.158 387 2HD LYS 54 2HD LYS 54 3.778 1.213 7.903 388 1HE LYS 54 1HE LYS 54 3.688 1.543 5.545 389 2HE LYS 54 2HE LYS 54 1.938 1.615 5.556 390 1HZ LYS 54 1HZ LYS 54 2.629 3.619 5.085 391 2HZ LYS 54 2HZ LYS 54 2.079 3.779 6.630 392 3HZ LYS 54 3HZ LYS 54 3.717 3.796 6.348 393 H LEU 55 H LEU 55 1.651 -3.082 5.138 394 HA LEU 55 HA LEU 55 1.672 -4.917 7.451 395 1HB LEU 55 1HB LEU 55 1.269 -6.878 5.888 396 2HB LEU 55 2HB LEU 55 -0.072 -5.947 6.502 397 HG LEU 55 HG LEU 55 -0.563 -4.982 4.401 398 1HD1 LEU 55 1HD1 LEU 55 0.797 -5.471 2.336 399 2HD1 LEU 55 2HD1 LEU 55 1.599 -4.410 3.485 400 3HD1 LEU 55 3HD1 LEU 55 2.069 -6.120 3.403 401 1HD2 LEU 55 1HD2 LEU 55 -0.954 -6.953 2.977 402 2HD2 LEU 55 2HD2 LEU 55 0.273 -7.874 3.875 403 3HD2 LEU 55 3HD2 LEU 55 -1.217 -7.383 4.674 404 H ASN 56 H ASN 56 3.167 -6.516 7.455 405 HA ASN 56 HA ASN 56 5.756 -5.706 6.352 406 1HB ASN 56 1HB ASN 56 5.570 -6.164 8.740 407 2HB ASN 56 2HB ASN 56 4.824 -7.743 8.426 408 1HD2 ASN 56 1HD2 ASN 56 6.358 -9.222 9.178 409 2HD2 ASN 56 2HD2 ASN 56 8.029 -9.191 8.632 410 H VAL 57 H VAL 57 6.226 -6.482 4.363 411 HA VAL 57 HA VAL 57 4.781 -8.505 3.077 412 HB VAL 57 HB VAL 57 6.118 -6.562 2.190 413 1HG1 VAL 57 1HG1 VAL 57 8.392 -8.600 2.082 414 2HG1 VAL 57 2HG1 VAL 57 8.427 -6.946 1.476 415 3HG1 VAL 57 3HG1 VAL 57 8.304 -7.247 3.220 416 1HG2 VAL 57 1HG2 VAL 57 6.316 -7.475 0.014 417 2HG2 VAL 57 2HG2 VAL 57 6.419 -9.137 0.640 418 3HG2 VAL 57 3HG2 VAL 57 4.920 -8.229 0.784 419 H ASP 58 H ASP 58 7.619 -8.813 5.159 420 HA ASP 58 HA ASP 58 8.592 -11.316 4.334 421 1HB ASP 58 1HB ASP 58 8.668 -9.517 6.752 422 2HB ASP 58 2HB ASP 58 9.529 -11.020 6.702 423 H GLU 59 H GLU 59 5.828 -10.281 6.243 424 HA GLU 59 HA GLU 59 5.570 -12.845 7.698 425 1HB GLU 59 1HB GLU 59 5.190 -10.870 8.976 426 2HB GLU 59 2HB GLU 59 4.114 -10.205 7.752 427 1HG GLU 59 1HG GLU 59 2.412 -11.898 8.232 428 2HG GLU 59 2HG GLU 59 3.490 -12.664 9.413 429 H ASN 60 H ASN 60 4.034 -10.986 5.058 430 HA ASN 60 HA ASN 60 1.901 -13.052 4.929 431 1HB ASN 60 1HB ASN 60 0.995 -10.911 5.189 432 2HB ASN 60 2HB ASN 60 1.957 -10.226 3.865 433 1HD2 ASN 60 1HD2 ASN 60 0.673 -10.001 1.979 434 2HD2 ASN 60 2HD2 ASN 60 -0.337 -11.307 1.398 435 HA PRO 61 HA PRO 61 3.752 -14.215 0.903 436 1HB PRO 61 1HB PRO 61 2.984 -16.819 0.846 437 2HB PRO 61 2HB PRO 61 4.368 -16.254 1.827 438 1HG PRO 61 1HG PRO 61 1.510 -16.745 2.743 439 2HG PRO 61 2HG PRO 61 3.024 -17.330 3.500 440 1HD PRO 61 1HD PRO 61 1.721 -15.069 4.353 441 2HD PRO 61 2HD PRO 61 3.499 -15.211 4.406 442 H GLU 62 H GLU 62 0.403 -14.272 2.133 443 HA GLU 62 HA GLU 62 -0.812 -15.449 -0.189 444 1HB GLU 62 1HB GLU 62 -1.969 -15.651 1.860 445 2HB GLU 62 2HB GLU 62 -1.891 -13.925 2.193 446 1HG GLU 62 1HG GLU 62 -4.140 -14.637 1.558 447 2HG GLU 62 2HG GLU 62 -3.492 -13.392 0.503 448 H THR 63 H THR 63 -1.129 -14.570 -2.043 449 HA THR 63 HA THR 63 -1.211 -13.289 -3.817 450 HB THR 63 HB THR 63 -2.644 -11.554 -1.803 451 HG1 THR 63 1HG THR 63 -3.471 -13.711 -2.392 452 1HG2 THR 63 1HG2 THR 63 -2.614 -11.234 -4.831 453 2HG2 THR 63 2HG2 THR 63 -3.732 -10.431 -3.707 454 3HG2 THR 63 3HG2 THR 63 -2.004 -10.042 -3.655 455 H THR 64 H THR 64 0.643 -12.083 -1.244 456 HA THR 64 HA THR 64 2.369 -10.243 -2.528 457 HB THR 64 HB THR 64 3.048 -12.509 -0.608 458 HG1 THR 64 1HG THR 64 2.609 -11.197 0.987 459 1HG2 THR 64 1HG2 THR 64 5.077 -11.374 -1.559 460 2HG2 THR 64 2HG2 THR 64 4.469 -9.853 -0.863 461 3HG2 THR 64 3HG2 THR 64 4.894 -11.205 0.194 462 H SER 65 H SER 65 2.521 -13.843 -2.279 463 HA SER 65 HA SER 65 4.683 -14.256 -4.036 464 1HB SER 65 1HB SER 65 3.713 -15.884 -2.413 465 2HB SER 65 2HB SER 65 2.304 -16.083 -3.468 466 HG SER 65 HG SER 65 3.932 -17.681 -3.794 467 H GLN 66 H GLN 66 1.163 -14.159 -4.725 468 HA GLN 66 HA GLN 66 1.188 -14.996 -7.361 469 1HB GLN 66 1HB GLN 66 -0.816 -14.696 -5.950 470 2HB GLN 66 2HB GLN 66 -0.647 -12.950 -6.045 471 1HG GLN 66 1HG GLN 66 -2.410 -13.754 -7.532 472 2HG GLN 66 2HG GLN 66 -1.138 -12.936 -8.422 473 1HE2 GLN 66 1HE2 GLN 66 0.446 -14.306 -9.639 474 2HE2 GLN 66 2HE2 GLN 66 -0.141 -15.872 -10.234 475 H PHE 67 H PHE 67 1.824 -11.707 -6.134 476 HA PHE 67 HA PHE 67 2.297 -10.816 -8.944 477 1HB PHE 67 1HB PHE 67 1.473 -9.294 -6.464 478 2HB PHE 67 2HB PHE 67 1.925 -8.538 -7.986 479 HD1 PHE 67 1HD PHE 67 0.602 -9.227 -10.120 480 HD2 PHE 67 2HD PHE 67 -0.778 -9.979 -6.104 481 HE1 PHE 67 1HE PHE 67 -1.716 -9.487 -10.961 482 HE2 PHE 67 2HE PHE 67 -3.097 -10.232 -6.955 483 HZ PHE 67 HZ PHE 67 -3.568 -9.992 -9.380 484 H GLY 68 H GLY 68 4.226 -12.236 -6.864 485 1HA GLY 68 1HA GLY 68 6.499 -12.227 -6.617 486 2HA GLY 68 2HA GLY 68 6.567 -11.085 -7.966 487 H ILE 69 H ILE 69 4.938 -10.475 -4.881 488 HA ILE 69 HA ILE 69 6.075 -7.835 -4.831 489 HB ILE 69 HB ILE 69 4.198 -9.296 -2.973 490 1HG1 ILE 69 1HG1 ILE 69 3.270 -9.165 -5.198 491 2HG1 ILE 69 2HG1 ILE 69 2.379 -8.129 -4.108 492 1HG2 ILE 69 1HG2 ILE 69 4.845 -6.338 -3.045 493 2HG2 ILE 69 2HG2 ILE 69 3.351 -7.013 -2.368 494 3HG2 ILE 69 3HG2 ILE 69 4.884 -7.464 -1.668 495 1HD1 ILE 69 1HD1 ILE 69 3.662 -6.151 -4.984 496 2HD1 ILE 69 2HD1 ILE 69 4.454 -7.216 -6.155 497 3HD1 ILE 69 3HD1 ILE 69 2.694 -6.980 -6.206 498 H MET 70 H MET 70 8.319 -8.544 -4.645 499 HA MET 70 HA MET 70 9.060 -8.154 -1.773 500 1HB MET 70 1HB MET 70 10.403 -9.843 -3.915 501 2HB MET 70 2HB MET 70 11.282 -9.258 -2.502 502 1HG MET 70 1HG MET 70 8.729 -10.888 -2.370 503 2HG MET 70 2HG MET 70 10.354 -11.554 -2.209 504 1HE MET 70 1HE MET 70 7.508 -11.270 -0.225 505 2HE MET 70 2HE MET 70 8.755 -12.506 0.086 506 3HE MET 70 3HE MET 70 8.282 -11.368 1.372 507 H SER 71 H SER 71 8.640 -6.539 -4.512 508 HA SER 71 HA SER 71 11.146 -5.082 -4.777 509 1HB SER 71 1HB SER 71 9.467 -5.787 -6.595 510 2HB SER 71 2HB SER 71 8.422 -4.494 -5.996 511 HG SER 71 HG SER 71 11.058 -4.265 -7.065 512 H ILE 72 H ILE 72 10.172 -4.954 -2.088 513 HA ILE 72 HA ILE 72 8.468 -2.708 -1.877 514 HB ILE 72 HB ILE 72 8.208 -3.111 0.378 515 1HG1 ILE 72 1HG1 ILE 72 10.422 -3.340 1.185 516 2HG1 ILE 72 2HG1 ILE 72 9.384 -4.626 1.760 517 1HG2 ILE 72 1HG2 ILE 72 7.122 -4.666 -1.196 518 2HG2 ILE 72 2HG2 ILE 72 8.403 -5.848 -0.888 519 3HG2 ILE 72 3HG2 ILE 72 7.346 -5.293 0.430 520 1HD1 ILE 72 1HD1 ILE 72 11.599 -5.469 1.254 521 2HD1 ILE 72 2HD1 ILE 72 10.442 -6.203 0.135 522 3HD1 ILE 72 3HD1 ILE 72 11.512 -4.883 -0.410 523 HA PRO 73 HA PRO 73 8.172 -1.017 0.368 524 1HB PRO 73 1HB PRO 73 7.725 1.601 -0.130 525 2HB PRO 73 2HB PRO 73 8.799 1.019 1.164 526 1HG PRO 73 1HG PRO 73 9.576 1.972 -1.603 527 2HG PRO 73 2HG PRO 73 10.329 2.411 -0.042 528 1HD PRO 73 1HD PRO 73 11.353 0.474 -1.689 529 2HD PRO 73 2HD PRO 73 11.467 0.334 0.081 530 H THR 74 H THR 74 6.363 -1.713 -0.606 531 HA THR 74 HA THR 74 5.762 -0.850 -3.393 532 HB THR 74 HB THR 74 5.209 -3.567 -2.133 533 HG1 THR 74 1HG THR 74 7.293 -2.685 -3.696 534 1HG2 THR 74 1HG2 THR 74 4.571 -4.225 -4.464 535 2HG2 THR 74 2HG2 THR 74 3.426 -3.134 -3.674 536 3HG2 THR 74 3HG2 THR 74 4.553 -2.515 -4.900 537 H LEU 75 H LEU 75 3.495 -0.606 -3.816 538 HA LEU 75 HA LEU 75 1.634 -0.345 -1.538 539 1HB LEU 75 1HB LEU 75 3.012 1.770 -1.897 540 2HB LEU 75 2HB LEU 75 2.272 1.889 -3.474 541 HG LEU 75 HG LEU 75 0.349 1.453 -1.201 542 1HD1 LEU 75 1HD1 LEU 75 2.004 3.970 -1.506 543 2HD1 LEU 75 2HD1 LEU 75 0.462 3.915 -0.620 544 3HD1 LEU 75 3HD1 LEU 75 1.833 2.924 -0.086 545 1HD2 LEU 75 1HD2 LEU 75 -0.451 1.804 -3.513 546 2HD2 LEU 75 2HD2 LEU 75 -0.963 3.120 -2.451 547 3HD2 LEU 75 3HD2 LEU 75 0.389 3.370 -3.575 548 H ILE 76 H ILE 76 -0.213 -1.351 -2.307 549 HA ILE 76 HA ILE 76 -0.637 -1.261 -5.262 550 HB ILE 76 HB ILE 76 -1.340 -3.595 -3.497 551 1HG1 ILE 76 1HG1 ILE 76 1.081 -3.265 -5.325 552 2HG1 ILE 76 2HG1 ILE 76 1.078 -3.498 -3.574 553 1HG2 ILE 76 1HG2 ILE 76 -1.290 -3.173 -6.549 554 2HG2 ILE 76 2HG2 ILE 76 -1.694 -4.711 -5.770 555 3HG2 ILE 76 3HG2 ILE 76 -2.745 -3.331 -5.543 556 1HD1 ILE 76 1HD1 ILE 76 -0.131 -5.748 -4.060 557 2HD1 ILE 76 2HD1 ILE 76 0.496 -5.539 -5.708 558 3HD1 ILE 76 3HD1 ILE 76 1.606 -5.603 -4.322 559 H LEU 77 H LEU 77 -2.599 -0.846 -5.929 560 HA LEU 77 HA LEU 77 -4.604 0.101 -3.951 561 1HB LEU 77 1HB LEU 77 -3.335 1.676 -5.543 562 2HB LEU 77 2HB LEU 77 -4.209 0.903 -6.852 563 HG LEU 77 HG LEU 77 -5.107 2.824 -4.721 564 1HD1 LEU 77 1HD1 LEU 77 -4.400 3.437 -7.067 565 2HD1 LEU 77 2HD1 LEU 77 -5.837 2.599 -7.671 566 3HD1 LEU 77 3HD1 LEU 77 -6.008 4.010 -6.626 567 1HD2 LEU 77 1HD2 LEU 77 -6.781 1.173 -4.300 568 2HD2 LEU 77 2HD2 LEU 77 -7.530 2.402 -5.306 569 3HD2 LEU 77 3HD2 LEU 77 -7.044 0.877 -6.027 570 H PHE 78 H PHE 78 -6.303 -1.133 -3.903 571 HA PHE 78 HA PHE 78 -7.225 -2.796 -6.185 572 1HB PHE 78 1HB PHE 78 -7.505 -3.585 -3.268 573 2HB PHE 78 2HB PHE 78 -7.878 -4.560 -4.657 574 HD1 PHE 78 1HD PHE 78 -5.193 -3.159 -2.513 575 HD2 PHE 78 2HD PHE 78 -6.154 -5.943 -5.655 576 HE1 PHE 78 1HE PHE 78 -3.024 -4.290 -2.196 577 HE2 PHE 78 2HE PHE 78 -3.947 -7.025 -5.390 578 HZ PHE 78 HZ PHE 78 -2.371 -6.194 -3.660 579 H LYS 79 H LYS 79 -9.611 -3.310 -5.813 580 HA LYS 79 HA LYS 79 -11.083 -1.422 -4.133 581 1HB LYS 79 1HB LYS 79 -12.348 -0.382 -6.093 582 2HB LYS 79 2HB LYS 79 -10.739 0.173 -5.740 583 1HG LYS 79 1HG LYS 79 -10.965 0.130 -8.077 584 2HG LYS 79 2HG LYS 79 -9.813 -1.122 -7.654 585 1HD LYS 79 1HD LYS 79 -12.757 -1.666 -8.214 586 2HD LYS 79 2HD LYS 79 -11.521 -1.674 -9.486 587 1HE LYS 79 1HE LYS 79 -10.393 -3.549 -8.607 588 2HE LYS 79 2HE LYS 79 -11.045 -3.301 -7.023 589 1HZ LYS 79 1HZ LYS 79 -13.292 -3.852 -8.003 590 2HZ LYS 79 2HZ LYS 79 -12.436 -4.542 -9.289 591 3HZ LYS 79 3HZ LYS 79 -12.240 -5.093 -7.779 592 H GLY 80 H GLY 80 -11.037 -4.063 -3.890 593 1HA GLY 80 1HA GLY 80 -12.862 -5.619 -3.514 594 2HA GLY 80 2HA GLY 80 -13.653 -5.049 -4.975 595 H GLY 81 H GLY 81 -10.932 -6.780 -3.697 596 1HA GLY 81 1HA GLY 81 -10.191 -8.844 -4.019 597 2HA GLY 81 2HA GLY 81 -11.328 -9.043 -5.354 598 H GLU 82 H GLU 82 -10.067 -6.658 -6.715 599 HA GLU 82 HA GLU 82 -7.633 -7.960 -7.760 600 1HB GLU 82 1HB GLU 82 -8.457 -7.582 -9.909 601 2HB GLU 82 2HB GLU 82 -9.827 -8.239 -9.024 602 1HG GLU 82 1HG GLU 82 -10.468 -5.783 -8.637 603 2HG GLU 82 2HG GLU 82 -9.313 -5.361 -9.898 604 HA PRO 83 HA PRO 83 -5.824 -3.906 -7.336 605 1HB PRO 83 1HB PRO 83 -3.636 -4.067 -8.936 606 2HB PRO 83 2HB PRO 83 -3.803 -5.062 -7.459 607 1HG PRO 83 1HG PRO 83 -4.416 -5.870 -10.322 608 2HG PRO 83 2HG PRO 83 -3.441 -6.759 -9.106 609 1HD PRO 83 1HD PRO 83 -6.087 -7.306 -9.571 610 2HD PRO 83 2HD PRO 83 -5.359 -7.458 -7.943 611 H VAL 84 H VAL 84 -5.559 -1.880 -8.444 612 HA VAL 84 HA VAL 84 -6.317 -1.783 -11.317 613 HB VAL 84 HB VAL 84 -6.583 0.737 -10.598 614 1HG1 VAL 84 1HG1 VAL 84 -8.357 -0.643 -11.628 615 2HG1 VAL 84 2HG1 VAL 84 -8.713 -1.382 -10.057 616 3HG1 VAL 84 3HG1 VAL 84 -9.035 0.348 -10.326 617 1HG2 VAL 84 1HG2 VAL 84 -5.999 0.437 -8.232 618 2HG2 VAL 84 2HG2 VAL 84 -7.614 1.134 -8.472 619 3HG2 VAL 84 3HG2 VAL 84 -7.445 -0.567 -8.006 620 H LYS 85 H LYS 85 -3.938 -0.708 -8.803 621 HA LYS 85 HA LYS 85 -1.887 -0.771 -10.778 622 1HB LYS 85 1HB LYS 85 -1.123 1.589 -10.598 623 2HB LYS 85 2HB LYS 85 -2.592 1.350 -11.514 624 1HG LYS 85 1HG LYS 85 -3.950 2.133 -9.607 625 2HG LYS 85 2HG LYS 85 -2.479 2.377 -8.642 626 1HD LYS 85 1HD LYS 85 -1.669 4.083 -10.102 627 2HD LYS 85 2HD LYS 85 -2.816 3.685 -11.384 628 1HE LYS 85 1HE LYS 85 -3.580 4.820 -8.669 629 2HE LYS 85 2HE LYS 85 -3.384 5.759 -10.162 630 1HZ LYS 85 1HZ LYS 85 -5.214 4.518 -11.123 631 2HZ LYS 85 2HZ LYS 85 -5.420 3.664 -9.709 632 3HZ LYS 85 3HZ LYS 85 -5.648 5.297 -9.811 633 H GLN 86 H GLN 86 0.193 0.117 -9.839 634 HA GLN 86 HA GLN 86 0.521 -0.474 -6.976 635 1HB GLN 86 1HB GLN 86 0.830 -2.608 -8.020 636 2HB GLN 86 2HB GLN 86 1.704 -1.910 -9.384 637 1HG GLN 86 1HG GLN 86 3.633 -1.410 -7.962 638 2HG GLN 86 2HG GLN 86 2.815 -2.076 -6.552 639 1HE2 GLN 86 1HE2 GLN 86 2.005 -4.504 -6.918 640 2HE2 GLN 86 2HE2 GLN 86 3.166 -5.489 -7.802 641 H LEU 87 H LEU 87 2.390 0.501 -6.116 642 HA LEU 87 HA LEU 87 4.241 1.963 -7.915 643 1HB LEU 87 1HB LEU 87 3.255 2.753 -5.134 644 2HB LEU 87 2HB LEU 87 4.764 3.324 -5.788 645 HG LEU 87 HG LEU 87 3.149 5.025 -5.998 646 1HD1 LEU 87 1HD1 LEU 87 3.497 3.924 -8.801 647 2HD1 LEU 87 2HD1 LEU 87 3.470 5.623 -8.261 648 3HD1 LEU 87 3HD1 LEU 87 4.843 4.587 -7.854 649 1HD2 LEU 87 1HD2 LEU 87 1.085 3.620 -6.048 650 2HD2 LEU 87 2HD2 LEU 87 1.113 4.972 -7.199 651 3HD2 LEU 87 3HD2 LEU 87 1.384 3.324 -7.775 652 H ILE 88 H ILE 88 6.451 1.726 -7.270 653 HA ILE 88 HA ILE 88 7.144 -0.141 -5.136 654 HB ILE 88 HB ILE 88 8.712 -1.307 -6.778 655 1HG1 ILE 88 1HG1 ILE 88 6.794 -0.165 -8.873 656 2HG1 ILE 88 2HG1 ILE 88 8.518 0.187 -8.716 657 1HG2 ILE 88 1HG2 ILE 88 6.722 -2.316 -5.733 658 2HG2 ILE 88 2HG2 ILE 88 5.745 -1.836 -7.132 659 3HG2 ILE 88 3HG2 ILE 88 7.066 -3.007 -7.308 660 1HD1 ILE 88 1HD1 ILE 88 7.243 -2.454 -9.512 661 2HD1 ILE 88 2HD1 ILE 88 8.232 -1.377 -10.502 662 3HD1 ILE 88 3HD1 ILE 88 8.979 -2.260 -9.149 663 H GLY 89 H GLY 89 8.977 0.474 -4.184 664 1HA GLY 89 1HA GLY 89 11.002 1.555 -3.803 665 2HA GLY 89 2HA GLY 89 11.004 2.181 -5.464 666 H TYR 90 H TYR 90 11.730 3.883 -3.464 667 HA TYR 90 HA TYR 90 9.748 5.289 -2.084 668 1HB TYR 90 1HB TYR 90 12.071 5.481 -1.507 669 2HB TYR 90 2HB TYR 90 12.430 6.249 -3.050 670 HD1 TYR 90 1HD TYR 90 11.844 8.605 -3.461 671 HD2 TYR 90 2HD TYR 90 10.835 6.695 0.268 672 HE1 TYR 90 1HE TYR 90 11.259 10.802 -2.507 673 HE2 TYR 90 2HE TYR 90 10.201 8.906 1.227 674 HH TYR 90 HH TYR 90 10.628 11.959 -0.548 675 H GLN 91 H GLN 91 7.989 6.216 -2.939 676 HA GLN 91 HA GLN 91 8.335 8.146 -5.160 677 1HB GLN 91 1HB GLN 91 5.692 7.378 -3.888 678 2HB GLN 91 2HB GLN 91 5.992 8.157 -5.419 679 1HG GLN 91 1HG GLN 91 6.431 5.228 -4.741 680 2HG GLN 91 2HG GLN 91 5.190 5.927 -5.767 681 1HE2 GLN 91 1HE2 GLN 91 8.177 4.357 -5.824 682 2HE2 GLN 91 2HE2 GLN 91 8.603 4.783 -7.472 683 HA PRO 92 HA PRO 92 7.924 10.950 -1.530 684 1HB PRO 92 1HB PRO 92 7.691 13.342 -2.844 685 2HB PRO 92 2HB PRO 92 9.263 12.512 -2.631 686 1HG PRO 92 1HG PRO 92 7.437 12.457 -5.045 687 2HG PRO 92 2HG PRO 92 9.206 12.736 -5.006 688 1HD PRO 92 1HD PRO 92 8.118 10.285 -5.561 689 2HD PRO 92 2HD PRO 92 9.651 10.443 -4.658 690 H LYS 93 H LYS 93 6.123 12.108 -0.715 691 HA LYS 93 HA LYS 93 3.557 11.242 -1.000 692 1HB LYS 93 1HB LYS 93 4.885 13.289 0.380 693 2HB LYS 93 2HB LYS 93 3.744 14.195 -0.558 694 1HG LYS 93 1HG LYS 93 2.994 11.873 1.268 695 2HG LYS 93 2HG LYS 93 2.949 13.577 1.698 696 1HD LYS 93 1HD LYS 93 1.442 13.500 -0.679 697 2HD LYS 93 2HD LYS 93 1.023 11.980 0.109 698 1HE LYS 93 1HE LYS 93 0.458 13.194 2.194 699 2HE LYS 93 2HE LYS 93 1.015 14.715 1.495 700 1HZ LYS 93 1HZ LYS 93 -0.787 14.609 -0.075 701 2HZ LYS 93 2HZ LYS 93 -1.274 13.136 0.454 702 3HZ LYS 93 3HZ LYS 93 -1.398 14.431 1.451 703 H GLU 94 H GLU 94 4.871 14.070 -2.619 704 HA GLU 94 HA GLU 94 2.664 14.883 -4.105 705 1HB GLU 94 1HB GLU 94 5.630 15.101 -4.750 706 2HB GLU 94 2HB GLU 94 4.364 16.077 -5.508 707 1HG GLU 94 1HG GLU 94 3.819 17.164 -3.417 708 2HG GLU 94 2HG GLU 94 4.844 16.067 -2.489 709 H GLN 95 H GLN 95 4.851 12.173 -4.910 710 HA GLN 95 HA GLN 95 4.029 12.185 -7.742 711 1HB GLN 95 1HB GLN 95 6.378 11.691 -7.077 712 2HB GLN 95 2HB GLN 95 5.861 10.378 -6.076 713 1HG GLN 95 1HG GLN 95 6.806 9.570 -8.193 714 2HG GLN 95 2HG GLN 95 5.150 9.041 -7.966 715 1HE2 GLN 95 1HE2 GLN 95 3.394 10.345 -9.171 716 2HE2 GLN 95 2HE2 GLN 95 3.904 11.030 -10.726 717 H LEU 96 H LEU 96 3.982 10.293 -4.874 718 HA LEU 96 HA LEU 96 2.453 8.014 -5.561 719 1HB LEU 96 1HB LEU 96 3.925 8.839 -3.473 720 2HB LEU 96 2HB LEU 96 2.347 9.225 -2.841 721 HG LEU 96 HG LEU 96 3.248 6.488 -3.845 722 1HD1 LEU 96 1HD1 LEU 96 3.328 5.895 -1.488 723 2HD1 LEU 96 2HD1 LEU 96 4.388 7.288 -1.755 724 3HD1 LEU 96 3HD1 LEU 96 2.800 7.519 -1.003 725 1HD2 LEU 96 1HD2 LEU 96 1.162 5.703 -2.667 726 2HD2 LEU 96 2HD2 LEU 96 0.739 7.396 -2.411 727 3HD2 LEU 96 3HD2 LEU 96 0.804 6.742 -4.058 728 H GLU 97 H GLU 97 1.371 10.957 -3.791 729 HA GLU 97 HA GLU 97 -1.398 10.310 -3.905 730 1HB GLU 97 1HB GLU 97 -0.028 11.880 -2.353 731 2HB GLU 97 2HB GLU 97 -0.190 13.058 -3.658 732 1HG GLU 97 1HG GLU 97 -1.869 13.636 -2.197 733 2HG GLU 97 2HG GLU 97 -2.746 12.682 -3.408 734 H ALA 98 H ALA 98 0.768 11.962 -6.242 735 HA ALA 98 HA ALA 98 -1.477 13.009 -7.804 736 1HB ALA 98 1HB ALA 98 0.218 13.397 -9.570 737 2HB ALA 98 2HB ALA 98 0.672 14.114 -8.019 738 3HB ALA 98 3HB ALA 98 1.447 12.605 -8.562 739 H GLN 99 H GLN 99 0.744 10.193 -8.104 740 HA GLN 99 HA GLN 99 -0.408 9.070 -10.446 741 1HB GLN 99 1HB GLN 99 1.743 8.383 -9.464 742 2HB GLN 99 2HB GLN 99 0.944 7.761 -8.036 743 1HG GLN 99 1HG GLN 99 1.634 5.957 -9.551 744 2HG GLN 99 2HG GLN 99 -0.099 5.968 -9.274 745 1HE2 GLN 99 1HE2 GLN 99 2.123 7.706 -11.615 746 2HE2 GLN 99 2HE2 GLN 99 1.181 7.202 -13.012 747 H LEU 100 H LEU 100 -1.203 8.594 -7.032 748 HA LEU 100 HA LEU 100 -3.406 6.779 -7.647 749 1HB LEU 100 1HB LEU 100 -1.635 7.297 -5.463 750 2HB LEU 100 2HB LEU 100 -3.236 7.626 -4.889 751 HG LEU 100 HG LEU 100 -3.884 5.316 -5.840 752 1HD1 LEU 100 1HD1 LEU 100 -0.836 5.078 -5.929 753 2HD1 LEU 100 2HD1 LEU 100 -1.979 3.753 -6.218 754 3HD1 LEU 100 3HD1 LEU 100 -1.869 5.101 -7.365 755 1HD2 LEU 100 1HD2 LEU 100 -1.738 5.454 -3.672 756 2HD2 LEU 100 2HD2 LEU 100 -3.492 5.691 -3.441 757 3HD2 LEU 100 3HD2 LEU 100 -2.872 4.108 -3.934 758 H ALA 101 H ALA 101 -3.319 10.086 -7.899 759 HA ALA 101 HA ALA 101 -5.315 11.129 -6.325 760 1HB ALA 101 1HB ALA 101 -4.600 11.911 -9.182 761 2HB ALA 101 2HB ALA 101 -5.477 12.920 -8.013 762 3HB ALA 101 3HB ALA 101 -3.794 12.484 -7.704 763 H ASP 102 H ASP 102 -5.788 9.130 -9.200 764 HA ASP 102 HA ASP 102 -8.440 10.015 -9.870 765 1HB ASP 102 1HB ASP 102 -8.502 8.096 -11.314 766 2HB ASP 102 2HB ASP 102 -6.890 8.800 -11.426 767 H VAL 103 H VAL 103 -7.240 7.890 -7.369 768 HA VAL 103 HA VAL 103 -10.066 7.075 -6.815 769 HB VAL 103 HB VAL 103 -7.919 5.402 -7.098 770 1HG1 VAL 103 1HG1 VAL 103 -8.218 5.778 -4.080 771 2HG1 VAL 103 2HG1 VAL 103 -7.306 4.512 -4.881 772 3HG1 VAL 103 3HG1 VAL 103 -6.787 6.190 -5.053 773 1HG2 VAL 103 1HG2 VAL 103 -9.352 3.695 -6.104 774 2HG2 VAL 103 2HG2 VAL 103 -10.393 4.968 -5.407 775 3HG2 VAL 103 3HG2 VAL 103 -10.252 4.782 -7.167 776 H LEU 104 H LEU 104 -7.566 9.157 -5.724 777 HA LEU 104 HA LEU 104 -8.782 9.609 -3.090 778 1HB LEU 104 1HB LEU 104 -6.409 10.613 -4.674 779 2HB LEU 104 2HB LEU 104 -6.988 11.552 -3.371 780 HG LEU 104 HG LEU 104 -5.456 10.447 -2.218 781 1HD1 LEU 104 1HD1 LEU 104 -7.457 9.510 -1.145 782 2HD1 LEU 104 2HD1 LEU 104 -7.387 8.111 -2.258 783 3HD1 LEU 104 3HD1 LEU 104 -6.091 8.372 -1.084 784 1HD2 LEU 104 1HD2 LEU 104 -4.419 8.313 -2.755 785 2HD2 LEU 104 2HD2 LEU 104 -5.643 8.008 -4.013 786 3HD2 LEU 104 3HD2 LEU 104 -4.485 9.360 -4.170 787 H GLN 105 H GLN 105 -9.199 10.630 -6.296 788 HA GLN 105 HA GLN 105 -10.519 12.954 -6.474 789 1HB GLN 105 2HB GLN 105 -10.284 11.401 -8.238 790 2HB GLN 105 3HB GLN 105 -11.202 10.175 -7.363 791 1HG GLN 105 2HG GLN 105 -13.272 11.399 -7.678 792 2HG GLN 105 3HG GLN 105 -12.395 12.776 -8.358 793 1HE2 GLN 105 1HE2 GLN 105 -11.328 9.441 -9.361 794 2HE2 GLN 105 2HE2 GLN 105 -12.091 9.610 -10.934 Start of MODEL 15 1 1H ALA 1 H ALA 1 -9.972 5.248 7.892 2 2H ALA 1 2HN ALA 1 -8.783 6.157 8.581 3 3H ALA 1 3HN ALA 1 -9.140 6.363 6.983 4 HA ALA 1 HA ALA 1 -8.472 4.014 6.645 5 1HB ALA 1 1HB ALA 1 -6.044 4.595 6.651 6 2HB ALA 1 2HB ALA 1 -7.024 5.896 5.953 7 3HB ALA 1 3HB ALA 1 -6.396 6.038 7.609 8 H THR 2 H THR 2 -7.604 2.135 7.575 9 HA THR 2 HA THR 2 -6.821 2.196 10.433 10 HB THR 2 HB THR 2 -8.127 0.270 9.738 11 HG1 THR 2 1HG THR 2 -6.734 -1.256 10.601 12 1HG2 THR 2 1HG2 THR 2 -7.257 0.018 7.345 13 2HG2 THR 2 2HG2 THR 2 -5.822 -0.751 8.058 14 3HG2 THR 2 3HG2 THR 2 -7.420 -1.465 8.294 15 H MET 3 H MET 3 -4.566 0.493 10.154 16 HA MET 3 HA MET 3 -2.776 1.661 8.234 17 1HB MET 3 1HB MET 3 -1.185 2.763 9.633 18 2HB MET 3 2HB MET 3 -2.765 3.408 10.033 19 1HG MET 3 1HG MET 3 -2.024 3.124 12.142 20 2HG MET 3 2HG MET 3 -2.668 1.499 11.927 21 1HE MET 3 1HE MET 3 -0.656 2.262 14.224 22 2HE MET 3 2HE MET 3 -1.258 0.609 13.947 23 3HE MET 3 3HE MET 3 0.485 0.898 14.159 24 H THR 4 H THR 4 -3.751 -1.022 9.627 25 HA THR 4 HA THR 4 -1.119 -2.366 9.418 26 HB THR 4 HB THR 4 -3.089 -3.059 11.589 27 HG1 THR 4 1HG THR 4 -1.757 -1.900 13.005 28 1HG2 THR 4 1HG2 THR 4 -1.412 -4.802 11.131 29 2HG2 THR 4 2HG2 THR 4 -0.103 -3.601 11.244 30 3HG2 THR 4 3HG2 THR 4 -1.055 -4.041 12.678 31 H LEU 5 H LEU 5 -1.386 -4.724 8.955 32 HA LEU 5 HA LEU 5 -4.048 -5.715 8.335 33 1HB LEU 5 1HB LEU 5 -2.015 -5.064 6.248 34 2HB LEU 5 2HB LEU 5 -2.532 -6.730 6.206 35 HG LEU 5 HG LEU 5 -4.453 -4.371 6.069 36 1HD1 LEU 5 1HD1 LEU 5 -3.018 -4.611 4.050 37 2HD1 LEU 5 2HD1 LEU 5 -3.475 -6.315 3.925 38 3HD1 LEU 5 3HD1 LEU 5 -4.699 -5.042 3.703 39 1HD2 LEU 5 1HD2 LEU 5 -6.063 -6.152 5.338 40 2HD2 LEU 5 2HD2 LEU 5 -4.883 -7.334 5.977 41 3HD2 LEU 5 3HD2 LEU 5 -5.645 -6.130 7.041 42 H THR 6 H THR 6 -3.817 -8.136 7.717 43 HA THR 6 HA THR 6 -1.524 -9.452 8.779 44 HB THR 6 HB THR 6 -3.000 -11.233 9.679 45 HG1 THR 6 1HG THR 6 -5.186 -10.752 10.028 46 1HG2 THR 6 1HG2 THR 6 -3.610 -8.573 11.036 47 2HG2 THR 6 2HG2 THR 6 -3.659 -10.188 11.772 48 3HG2 THR 6 3HG2 THR 6 -2.112 -9.506 11.238 49 H ASP 7 H ASP 7 -1.868 -11.649 7.884 50 HA ASP 7 HA ASP 7 -1.923 -11.725 5.019 51 1HB ASP 7 1HB ASP 7 -1.554 -14.128 5.330 52 2HB ASP 7 2HB ASP 7 -0.520 -13.234 6.445 53 H ALA 8 H ALA 8 -4.091 -13.186 7.456 54 HA ALA 8 HA ALA 8 -6.053 -14.070 5.634 55 1HB ALA 8 1HB ALA 8 -7.565 -14.149 7.603 56 2HB ALA 8 2HB ALA 8 -5.953 -14.787 7.997 57 3HB ALA 8 3HB ALA 8 -6.418 -13.155 8.526 58 H ASN 9 H ASN 9 -5.764 -10.954 7.302 59 HA ASN 9 HA ASN 9 -8.380 -10.116 6.349 60 1HB ASN 9 1HB ASN 9 -7.519 -9.446 8.581 61 2HB ASN 9 2HB ASN 9 -6.336 -8.430 7.757 62 1HD2 ASN 9 1HD2 ASN 9 -9.941 -9.049 7.337 63 2HD2 ASN 9 2HD2 ASN 9 -10.300 -7.332 7.335 64 H PHE 10 H PHE 10 -5.096 -9.910 5.155 65 HA PHE 10 HA PHE 10 -5.395 -7.693 3.416 66 1HB PHE 10 1HB PHE 10 -3.223 -8.773 3.803 67 2HB PHE 10 2HB PHE 10 -3.799 -10.256 3.078 68 HD1 PHE 10 1HD PHE 10 -4.533 -6.970 1.403 69 HD2 PHE 10 2HD PHE 10 -1.897 -10.389 1.605 70 HE1 PHE 10 1HE PHE 10 -3.629 -6.424 -0.810 71 HE2 PHE 10 2HE PHE 10 -0.924 -9.759 -0.561 72 HZ PHE 10 HZ PHE 10 -1.824 -7.796 -1.811 73 H GLN 11 H GLN 11 -5.789 -11.169 2.582 74 HA GLN 11 HA GLN 11 -7.159 -10.674 0.131 75 1HB GLN 11 1HB GLN 11 -5.965 -12.742 0.686 76 2HB GLN 11 2HB GLN 11 -7.123 -13.131 1.953 77 1HG GLN 11 1HG GLN 11 -8.299 -12.665 -0.768 78 2HG GLN 11 2HG GLN 11 -7.200 -14.033 -0.642 79 1HE2 GLN 11 1HE2 GLN 11 -8.235 -15.954 -0.218 80 2HE2 GLN 11 2HE2 GLN 11 -9.706 -16.071 0.742 81 H GLN 12 H GLN 12 -8.449 -11.423 3.457 82 HA GLN 12 HA GLN 12 -11.118 -11.527 2.559 83 1HB GLN 12 1HB GLN 12 -9.984 -10.975 5.308 84 2HB GLN 12 2HB GLN 12 -11.700 -11.214 5.011 85 1HG GLN 12 1HG GLN 12 -11.376 -13.455 4.219 86 2HG GLN 12 2HG GLN 12 -9.625 -13.305 4.237 87 1HE2 GLN 12 1HE2 GLN 12 -11.277 -15.303 5.680 88 2HE2 GLN 12 2HE2 GLN 12 -10.903 -15.040 7.380 89 H ALA 13 H ALA 13 -9.188 -8.620 3.296 90 HA ALA 13 HA ALA 13 -11.515 -6.906 3.110 91 1HB ALA 13 1HB ALA 13 -9.569 -6.195 4.431 92 2HB ALA 13 2HB ALA 13 -8.537 -6.272 2.986 93 3HB ALA 13 3HB ALA 13 -9.862 -5.089 3.077 94 H ILE 14 H ILE 14 -8.615 -7.637 0.994 95 HA ILE 14 HA ILE 14 -9.572 -5.895 -1.001 96 HB ILE 14 HB ILE 14 -7.928 -6.788 -2.503 97 1HG1 ILE 14 1HG1 ILE 14 -6.565 -8.666 -0.724 98 2HG1 ILE 14 2HG1 ILE 14 -8.144 -9.248 -1.268 99 1HG2 ILE 14 1HG2 ILE 14 -5.941 -6.171 -1.264 100 2HG2 ILE 14 2HG2 ILE 14 -7.295 -5.117 -0.825 101 3HG2 ILE 14 3HG2 ILE 14 -6.785 -6.399 0.280 102 1HD1 ILE 14 1HD1 ILE 14 -5.914 -8.258 -3.084 103 2HD1 ILE 14 2HD1 ILE 14 -6.356 -9.953 -2.787 104 3HD1 ILE 14 3HD1 ILE 14 -7.499 -8.877 -3.611 105 H GLN 15 H GLN 15 -10.576 -9.148 -0.453 106 HA GLN 15 HA GLN 15 -11.654 -9.797 -2.982 107 1HB GLN 15 1HB GLN 15 -13.090 -11.335 -1.855 108 2HB GLN 15 2HB GLN 15 -11.553 -11.324 -0.987 109 1HG GLN 15 1HG GLN 15 -12.552 -9.772 0.689 110 2HG GLN 15 2HG GLN 15 -14.102 -9.849 -0.149 111 1HE2 GLN 15 1HE2 GLN 15 -13.370 -10.626 2.627 112 2HE2 GLN 15 2HE2 GLN 15 -13.992 -12.290 2.743 113 H GLY 16 H GLY 16 -12.789 -7.310 -0.707 114 1HA GLY 16 1HA GLY 16 -14.451 -6.001 -2.503 115 2HA GLY 16 2HA GLY 16 -15.501 -7.135 -1.681 116 H ASP 17 H ASP 17 -14.322 -4.191 -1.606 117 HA ASP 17 HA ASP 17 -15.122 -3.515 1.115 118 1HB ASP 17 1HB ASP 17 -12.857 -4.391 1.530 119 2HB ASP 17 2HB ASP 17 -12.173 -3.295 0.343 120 H GLY 18 H GLY 18 -12.688 -1.997 -1.014 121 1HA GLY 18 1HA GLY 18 -13.941 0.086 -2.335 122 2HA GLY 18 2HA GLY 18 -13.828 0.500 -0.598 123 HA PRO 19 HA PRO 19 -9.661 1.319 -2.643 124 1HB PRO 19 1HB PRO 19 -9.193 3.826 -1.599 125 2HB PRO 19 2HB PRO 19 -10.104 3.546 -3.081 126 1HG PRO 19 1HG PRO 19 -11.244 3.917 -0.303 127 2HG PRO 19 2HG PRO 19 -11.765 4.702 -1.827 128 1HD PRO 19 1HD PRO 19 -13.053 2.564 -0.779 129 2HD PRO 19 2HD PRO 19 -12.834 2.713 -2.550 130 H VAL 20 H VAL 20 -9.107 -0.444 -1.308 131 HA VAL 20 HA VAL 20 -7.844 0.141 1.322 132 HB VAL 20 HB VAL 20 -8.310 -2.388 -0.324 133 1HG1 VAL 20 1HG1 VAL 20 -6.862 -2.097 2.366 134 2HG1 VAL 20 2HG1 VAL 20 -7.403 -3.639 1.663 135 3HG1 VAL 20 3HG1 VAL 20 -6.160 -2.694 0.844 136 1HG2 VAL 20 1HG2 VAL 20 -9.765 -3.018 1.532 137 2HG2 VAL 20 2HG2 VAL 20 -9.321 -1.556 2.432 138 3HG2 VAL 20 3HG2 VAL 20 -10.251 -1.424 0.928 139 H LEU 21 H LEU 21 -5.774 0.740 1.342 140 HA LEU 21 HA LEU 21 -4.045 -0.256 -0.867 141 1HB LEU 21 1HB LEU 21 -2.617 1.652 -0.809 142 2HB LEU 21 2HB LEU 21 -4.237 2.080 -1.276 143 HG LEU 21 HG LEU 21 -3.933 2.383 1.607 144 1HD1 LEU 21 1HD1 LEU 21 -1.579 2.722 1.152 145 2HD1 LEU 21 2HD1 LEU 21 -1.971 3.887 -0.124 146 3HD1 LEU 21 3HD1 LEU 21 -2.319 4.276 1.571 147 1HD2 LEU 21 1HD2 LEU 21 -5.687 3.440 0.187 148 2HD2 LEU 21 2HD2 LEU 21 -4.829 4.577 1.225 149 3HD2 LEU 21 3HD2 LEU 21 -4.434 4.509 -0.498 150 H VAL 22 H VAL 22 -2.041 -0.896 -0.469 151 HA VAL 22 HA VAL 22 -1.620 -1.853 2.321 152 HB VAL 22 HB VAL 22 -1.484 -3.345 -0.335 153 1HG1 VAL 22 1HG1 VAL 22 -1.181 -4.381 2.509 154 2HG1 VAL 22 2HG1 VAL 22 -1.211 -5.373 1.036 155 3HG1 VAL 22 3HG1 VAL 22 0.123 -4.249 1.301 156 1HG2 VAL 22 1HG2 VAL 22 -3.450 -4.618 0.643 157 2HG2 VAL 22 2HG2 VAL 22 -3.549 -3.381 1.908 158 3HG2 VAL 22 3HG2 VAL 22 -3.809 -2.952 0.205 159 H ASP 23 H ASP 23 0.241 -0.969 3.037 160 HA ASP 23 HA ASP 23 2.507 -0.368 1.226 161 1HB ASP 23 1HB ASP 23 1.920 1.156 3.116 162 2HB ASP 23 2HB ASP 23 2.202 -0.094 4.226 163 H PHE 24 H PHE 24 3.441 -2.224 0.560 164 HA PHE 24 HA PHE 24 4.152 -4.385 2.447 165 1HB PHE 24 1HB PHE 24 4.854 -3.840 -0.442 166 2HB PHE 24 2HB PHE 24 5.359 -5.250 0.455 167 HD1 PHE 24 1HD PHE 24 3.429 -6.597 1.664 168 HD2 PHE 24 2HD PHE 24 2.829 -4.021 -1.745 169 HE1 PHE 24 1HE PHE 24 1.616 -8.069 0.863 170 HE2 PHE 24 2HE PHE 24 1.010 -5.479 -2.536 171 HZ PHE 24 HZ PHE 24 0.519 -7.623 -1.259 172 H TRP 25 H TRP 25 5.676 -3.868 3.848 173 HA TRP 25 HA TRP 25 8.112 -2.456 2.907 174 1HB TRP 25 1HB TRP 25 8.223 -1.244 4.994 175 2HB TRP 25 2HB TRP 25 6.641 -0.967 4.326 176 HD1 TRP 25 HD TRP 25 4.598 -2.080 5.614 177 HE1 TRP 25 1HE TRP 25 4.288 -2.961 8.008 178 HE3 TRP 25 3HE TRP 25 9.498 -2.182 7.054 179 HZ2 TRP 25 2HZ TRP 25 6.012 -3.766 10.234 180 HZ3 TRP 25 3HZ TRP 25 10.132 -2.983 9.310 181 HH2 TRP 25 HH TRP 25 8.404 -3.805 10.887 182 H ALA 26 H ALA 26 9.960 -3.165 4.761 183 HA ALA 26 HA ALA 26 9.249 -5.493 6.243 184 1HB ALA 26 1HB ALA 26 9.751 -6.617 4.062 185 2HB ALA 26 2HB ALA 26 11.357 -5.850 4.074 186 3HB ALA 26 3HB ALA 26 10.917 -7.046 5.316 187 H ALA 27 H ALA 27 10.877 -6.078 7.748 188 HA ALA 27 HA ALA 27 12.185 -3.813 8.812 189 1HB ALA 27 1HB ALA 27 12.487 -6.749 9.559 190 2HB ALA 27 2HB ALA 27 12.914 -5.353 10.575 191 3HB ALA 27 3HB ALA 27 11.220 -5.644 10.144 192 H TRP 28 H TRP 28 13.475 -5.916 6.385 193 HA TRP 28 HA TRP 28 16.258 -5.295 7.176 194 1HB TRP 28 1HB TRP 28 16.927 -7.051 6.033 195 2HB TRP 28 2HB TRP 28 15.266 -7.575 6.148 196 HD1 TRP 28 HD TRP 28 17.897 -6.273 3.774 197 HE1 TRP 28 1HE TRP 28 17.148 -6.373 1.338 198 HE3 TRP 28 3HE TRP 28 13.082 -7.880 4.475 199 HZ2 TRP 28 2HZ TRP 28 14.669 -6.730 -0.105 200 HZ3 TRP 28 3HZ TRP 28 11.528 -8.031 2.533 201 HH2 TRP 28 HH TRP 28 12.302 -7.354 0.275 202 H CYS 29 H CYS 29 13.819 -3.747 5.364 203 HA CYS 29 HA CYS 29 15.127 -3.324 2.903 204 1HB CYS 29 1HB CYS 29 13.268 -2.004 2.357 205 2HB CYS 29 2HB CYS 29 12.640 -3.139 3.551 206 H GLY 30 H GLY 30 15.479 -1.021 1.999 207 1HA GLY 30 1HA GLY 30 16.776 0.855 3.934 208 2HA GLY 30 2HA GLY 30 16.997 0.879 2.187 209 HA PRO 31 HA PRO 31 14.153 4.059 1.922 210 1HB PRO 31 1HB PRO 31 12.733 3.658 -0.436 211 2HB PRO 31 2HB PRO 31 14.447 4.178 -0.334 212 1HG PRO 31 1HG PRO 31 13.349 1.387 -0.761 213 2HG PRO 31 2HG PRO 31 14.675 2.203 -1.648 214 1HD PRO 31 1HD PRO 31 15.188 0.451 0.350 215 2HD PRO 31 2HD PRO 31 16.167 1.942 0.181 216 H CYS 32 H CYS 32 12.535 0.916 1.957 217 HA CYS 32 HA CYS 32 9.885 1.939 2.165 218 1HB CYS 32 1HB CYS 32 9.166 -0.105 2.816 219 2HB CYS 32 2HB CYS 32 10.630 -0.541 1.950 220 H ARG 33 H ARG 33 12.491 1.805 4.560 221 HA ARG 33 HA ARG 33 10.789 2.560 6.766 222 1HB ARG 33 1HB ARG 33 12.970 1.256 6.813 223 2HB ARG 33 2HB ARG 33 13.808 2.783 6.573 224 1HG ARG 33 1HG ARG 33 11.801 2.703 8.811 225 2HG ARG 33 2HG ARG 33 13.188 1.630 8.992 226 1HD ARG 33 1HD ARG 33 14.751 3.473 8.774 227 2HD ARG 33 2HD ARG 33 13.429 4.619 8.475 228 HE ARG 33 HE ARG 33 12.805 3.366 10.865 229 1HH1 ARG 33 2HH2 ARG 33 15.422 5.411 9.696 230 2HH1 ARG 33 1HH2 ARG 33 15.797 6.116 11.232 231 1HH2 ARG 33 2HH1 ARG 33 13.258 4.284 12.936 232 2HH2 ARG 33 1HH1 ARG 33 14.515 5.451 13.120 233 H MET 34 H MET 34 11.981 4.393 4.101 234 HA MET 34 HA MET 34 11.710 6.900 5.616 235 1HB MET 34 1HB MET 34 13.249 7.872 4.253 236 2HB MET 34 2HB MET 34 13.809 6.211 4.100 237 1HG MET 34 1HG MET 34 12.306 6.117 1.983 238 2HG MET 34 2HG MET 34 12.209 7.859 2.117 239 1HE MET 34 1HE MET 34 15.066 8.861 2.945 240 2HE MET 34 2HE MET 34 15.784 9.060 1.329 241 3HE MET 34 3HE MET 34 14.080 9.489 1.603 242 H MET 35 H MET 35 10.205 4.901 3.277 243 HA MET 35 HA MET 35 8.399 6.923 2.220 244 1HB MET 35 1HB MET 35 9.271 5.009 0.877 245 2HB MET 35 2HB MET 35 8.404 3.881 1.925 246 1HG MET 35 1HG MET 35 6.279 4.847 1.224 247 2HG MET 35 2HG MET 35 7.108 6.135 0.331 248 1HE MET 35 1HE MET 35 4.847 4.371 -1.078 249 2HE MET 35 2HE MET 35 5.804 5.677 -1.834 250 3HE MET 35 3HE MET 35 5.658 4.094 -2.637 251 H ALA 36 H ALA 36 8.299 4.087 4.502 252 HA ALA 36 HA ALA 36 5.582 4.158 5.102 253 1HB ALA 36 1HB ALA 36 6.188 3.127 7.263 254 2HB ALA 36 2HB ALA 36 7.032 2.396 5.887 255 3HB ALA 36 3HB ALA 36 7.900 3.513 6.965 256 HA PRO 37 HA PRO 37 6.005 7.639 8.328 257 1HB PRO 37 1HB PRO 37 8.108 9.422 8.174 258 2HB PRO 37 2HB PRO 37 8.066 7.988 9.245 259 1HG PRO 37 1HG PRO 37 9.353 8.249 6.525 260 2HG PRO 37 2HG PRO 37 10.052 7.539 8.014 261 1HD PRO 37 1HD PRO 37 8.980 5.970 6.105 262 2HD PRO 37 2HD PRO 37 8.719 5.594 7.826 263 H VAL 38 H VAL 38 7.219 8.105 4.936 264 HA VAL 38 HA VAL 38 5.845 10.650 4.671 265 HB VAL 38 HB VAL 38 7.604 9.086 3.092 266 1HG1 VAL 38 1HG1 VAL 38 6.643 9.198 0.826 267 2HG1 VAL 38 2HG1 VAL 38 5.744 8.079 1.831 268 3HG1 VAL 38 3HG1 VAL 38 5.085 9.683 1.488 269 1HG2 VAL 38 1HG2 VAL 38 6.310 11.774 2.543 270 2HG2 VAL 38 2HG2 VAL 38 7.736 11.479 3.556 271 3HG2 VAL 38 3HG2 VAL 38 7.812 11.171 1.823 272 H LEU 39 H LEU 39 4.929 7.222 4.198 273 HA LEU 39 HA LEU 39 2.399 7.717 3.087 274 1HB LEU 39 1HB LEU 39 3.620 5.350 4.542 275 2HB LEU 39 2HB LEU 39 2.049 5.315 3.809 276 HG LEU 39 HG LEU 39 4.662 5.761 2.335 277 1HD1 LEU 39 1HD1 LEU 39 4.199 3.531 1.373 278 2HD1 LEU 39 2HD1 LEU 39 4.352 3.467 3.127 279 3HD1 LEU 39 3HD1 LEU 39 2.743 3.407 2.388 280 1HD2 LEU 39 1HD2 LEU 39 3.382 5.516 0.258 281 2HD2 LEU 39 2HD2 LEU 39 1.871 5.639 1.191 282 3HD2 LEU 39 3HD2 LEU 39 3.021 7.004 1.118 283 H GLU 40 H GLU 40 3.528 7.912 6.397 284 HA GLU 40 HA GLU 40 0.963 7.610 7.657 285 1HB GLU 40 1HB GLU 40 3.301 7.416 8.663 286 2HB GLU 40 2HB GLU 40 3.358 9.180 8.694 287 1HG GLU 40 1HG GLU 40 1.514 9.290 10.242 288 2HG GLU 40 2HG GLU 40 1.106 7.590 9.983 289 H GLU 41 H GLU 41 2.843 10.470 6.524 290 HA GLU 41 HA GLU 41 0.806 12.437 7.080 291 1HB GLU 41 1HB GLU 41 3.052 12.296 5.056 292 2HB GLU 41 2HB GLU 41 1.974 13.693 5.191 293 1HG GLU 41 1HG GLU 41 2.735 14.022 7.525 294 2HG GLU 41 2HG GLU 41 3.839 12.647 7.353 295 H PHE 42 H PHE 42 1.516 10.418 4.178 296 HA PHE 42 HA PHE 42 -0.581 11.399 2.519 297 1HB PHE 42 1HB PHE 42 1.223 9.925 1.720 298 2HB PHE 42 2HB PHE 42 0.611 8.633 2.733 299 HD1 PHE 42 1HD PHE 42 -0.846 10.892 0.039 300 HD2 PHE 42 2HD PHE 42 -0.370 6.888 1.608 301 HE1 PHE 42 1HE PHE 42 -2.106 9.970 -1.876 302 HE2 PHE 42 2HE PHE 42 -1.620 5.999 -0.331 303 HZ PHE 42 HZ PHE 42 -2.514 7.528 -2.066 304 H ALA 43 H ALA 43 -0.636 8.709 4.948 305 HA ALA 43 HA ALA 43 -3.259 7.874 4.603 306 1HB ALA 43 1HB ALA 43 -3.166 7.000 6.861 307 2HB ALA 43 2HB ALA 43 -1.611 6.728 6.051 308 3HB ALA 43 3HB ALA 43 -1.777 8.027 7.249 309 H GLU 44 H GLU 44 -2.101 10.414 6.829 310 HA GLU 44 HA GLU 44 -4.635 11.236 7.768 311 1HB GLU 44 1HB GLU 44 -2.468 11.774 8.827 312 2HB GLU 44 2HB GLU 44 -2.071 12.860 7.485 313 1HG GLU 44 1HG GLU 44 -4.018 14.279 8.035 314 2HG GLU 44 2HG GLU 44 -4.507 13.151 9.304 315 H ALA 45 H ALA 45 -2.675 12.486 5.024 316 HA ALA 45 HA ALA 45 -4.120 14.697 4.320 317 1HB ALA 45 1HB ALA 45 -1.952 13.977 3.318 318 2HB ALA 45 2HB ALA 45 -2.819 12.748 2.368 319 3HB ALA 45 3HB ALA 45 -3.135 14.462 2.084 320 H HIS 46 H HIS 46 -5.109 11.447 3.714 321 HA HIS 46 HA HIS 46 -7.640 12.401 2.433 322 1HB HIS 46 1HB HIS 46 -7.547 10.433 0.922 323 2HB HIS 46 2HB HIS 46 -6.272 11.608 0.646 324 HD1 HIS 46 1HD HIS 46 -6.004 8.812 3.354 325 HD2 HIS 46 2HD HIS 46 -4.368 10.186 -0.283 326 HE1 HIS 46 1HE HIS 46 -3.987 7.305 2.814 327 HE2 HIS 46 2HE HIS 46 -2.957 8.238 0.643 328 H ALA 47 H ALA 47 -6.986 11.716 5.156 329 HA ALA 47 HA ALA 47 -7.182 9.751 6.594 330 1HB ALA 47 1HB ALA 47 -9.395 11.833 6.746 331 2HB ALA 47 2HB ALA 47 -8.891 10.768 8.075 332 3HB ALA 47 3HB ALA 47 -7.760 11.965 7.424 333 H ASP 48 H ASP 48 -10.463 10.500 5.190 334 HA ASP 48 HA ASP 48 -11.339 7.776 5.887 335 1HB ASP 48 1HB ASP 48 -13.496 8.837 6.140 336 2HB ASP 48 2HB ASP 48 -12.302 9.767 7.046 337 H LYS 49 H LYS 49 -10.651 9.732 3.105 338 HA LYS 49 HA LYS 49 -12.729 8.635 1.392 339 1HB LYS 49 1HB LYS 49 -11.526 10.720 0.814 340 2HB LYS 49 2HB LYS 49 -10.019 9.808 0.608 341 1HG LYS 49 1HG LYS 49 -10.953 8.555 -1.261 342 2HG LYS 49 2HG LYS 49 -12.558 9.234 -0.995 343 1HD LYS 49 1HD LYS 49 -10.118 10.866 -1.807 344 2HD LYS 49 2HD LYS 49 -11.278 10.161 -2.947 345 1HE LYS 49 1HE LYS 49 -13.114 11.455 -1.795 346 2HE LYS 49 2HE LYS 49 -11.867 12.247 -0.812 347 1HZ LYS 49 1HZ LYS 49 -12.277 12.464 -3.751 348 2HZ LYS 49 2HZ LYS 49 -12.237 13.669 -2.639 349 3HZ LYS 49 3HZ LYS 49 -10.866 12.841 -3.098 350 H VAL 50 H VAL 50 -9.554 7.506 2.485 351 HA VAL 50 HA VAL 50 -10.123 4.926 1.127 352 HB VAL 50 HB VAL 50 -7.846 4.679 0.339 353 1HG1 VAL 50 1HG1 VAL 50 -8.805 7.408 -0.593 354 2HG1 VAL 50 2HG1 VAL 50 -7.827 6.222 -1.497 355 3HG1 VAL 50 3HG1 VAL 50 -9.537 5.916 -1.133 356 1HG2 VAL 50 1HG2 VAL 50 -6.222 6.532 0.395 357 2HG2 VAL 50 2HG2 VAL 50 -7.366 7.502 1.348 358 3HG2 VAL 50 3HG2 VAL 50 -6.652 6.027 2.039 359 H THR 51 H THR 51 -8.540 3.115 2.025 360 HA THR 51 HA THR 51 -7.876 3.787 4.770 361 HB THR 51 HB THR 51 -10.024 2.542 4.646 362 HG1 THR 51 1HG THR 51 -9.310 1.052 6.266 363 1HG2 THR 51 1HG2 THR 51 -9.986 0.143 4.304 364 2HG2 THR 51 2HG2 THR 51 -9.437 0.965 2.835 365 3HG2 THR 51 3HG2 THR 51 -8.249 0.184 3.912 366 H VAL 52 H VAL 52 -6.005 2.946 5.594 367 HA VAL 52 HA VAL 52 -4.096 1.969 3.566 368 HB VAL 52 HB VAL 52 -3.490 3.544 6.028 369 1HG1 VAL 52 1HG1 VAL 52 -1.809 2.856 3.597 370 2HG1 VAL 52 2HG1 VAL 52 -1.326 4.044 4.826 371 3HG1 VAL 52 3HG1 VAL 52 -1.537 2.361 5.279 372 1HG2 VAL 52 1HG2 VAL 52 -3.080 5.519 4.519 373 2HG2 VAL 52 2HG2 VAL 52 -3.859 4.613 3.212 374 3HG2 VAL 52 3HG2 VAL 52 -4.784 5.081 4.649 375 H ALA 53 H ALA 53 -2.603 0.387 4.276 376 HA ALA 53 HA ALA 53 -2.784 -0.613 7.027 377 1HB ALA 53 1HB ALA 53 -3.251 -2.263 4.515 378 2HB ALA 53 2HB ALA 53 -2.823 -2.909 6.117 379 3HB ALA 53 3HB ALA 53 -4.362 -2.038 5.892 380 H LYS 54 H LYS 54 -0.525 -1.027 7.592 381 HA LYS 54 HA LYS 54 1.262 -1.500 5.272 382 1HB LYS 54 1HB LYS 54 3.038 -0.374 6.327 383 2HB LYS 54 2HB LYS 54 1.640 0.678 6.480 384 1HG LYS 54 1HG LYS 54 1.485 -0.530 8.893 385 2HG LYS 54 2HG LYS 54 3.184 -0.847 8.566 386 1HD LYS 54 1HD LYS 54 3.505 1.633 8.138 387 2HD LYS 54 2HD LYS 54 1.799 1.878 8.535 388 1HE LYS 54 1HE LYS 54 3.041 2.439 10.488 389 2HE LYS 54 2HE LYS 54 2.200 0.915 10.804 390 1HZ LYS 54 1HZ LYS 54 4.269 -0.237 10.334 391 2HZ LYS 54 2HZ LYS 54 5.038 1.185 10.028 392 3HZ LYS 54 3HZ LYS 54 4.490 0.859 11.547 393 H LEU 55 H LEU 55 2.504 -3.172 5.235 394 HA LEU 55 HA LEU 55 2.634 -4.872 7.672 395 1HB LEU 55 1HB LEU 55 1.622 -6.783 6.943 396 2HB LEU 55 2HB LEU 55 0.516 -5.511 6.478 397 HG LEU 55 HG LEU 55 2.385 -7.088 4.644 398 1HD1 LEU 55 1HD1 LEU 55 0.288 -7.989 3.738 399 2HD1 LEU 55 2HD1 LEU 55 0.363 -8.288 5.485 400 3HD1 LEU 55 3HD1 LEU 55 -0.658 -6.986 4.842 401 1HD2 LEU 55 1HD2 LEU 55 2.220 -4.904 3.649 402 2HD2 LEU 55 2HD2 LEU 55 1.068 -5.928 2.799 403 3HD2 LEU 55 3HD2 LEU 55 0.492 -4.782 4.031 404 H ASN 56 H ASN 56 4.124 -6.427 7.801 405 HA ASN 56 HA ASN 56 6.602 -5.923 6.390 406 1HB ASN 56 1HB ASN 56 6.603 -6.283 8.807 407 2HB ASN 56 2HB ASN 56 5.721 -7.803 8.632 408 1HD2 ASN 56 1HD2 ASN 56 7.243 -9.120 9.665 409 2HD2 ASN 56 2HD2 ASN 56 8.807 -9.454 8.900 410 H VAL 57 H VAL 57 6.674 -6.718 4.339 411 HA VAL 57 HA VAL 57 4.874 -8.719 3.479 412 HB VAL 57 HB VAL 57 5.796 -6.771 2.243 413 1HG1 VAL 57 1HG1 VAL 57 8.187 -6.989 2.449 414 2HG1 VAL 57 2HG1 VAL 57 8.175 -8.635 1.774 415 3HG1 VAL 57 3HG1 VAL 57 7.786 -7.277 0.742 416 1HG2 VAL 57 1HG2 VAL 57 5.987 -9.266 0.589 417 2HG2 VAL 57 2HG2 VAL 57 4.434 -8.700 1.249 418 3HG2 VAL 57 3HG2 VAL 57 5.352 -7.670 0.154 419 H ASP 58 H ASP 58 8.056 -9.062 4.757 420 HA ASP 58 HA ASP 58 8.852 -11.658 3.830 421 1HB ASP 58 1HB ASP 58 10.357 -10.184 4.988 422 2HB ASP 58 2HB ASP 58 9.257 -10.039 6.347 423 H GLU 59 H GLU 59 6.819 -10.481 6.427 424 HA GLU 59 HA GLU 59 6.306 -13.092 7.614 425 1HB GLU 59 1HB GLU 59 6.869 -11.264 8.962 426 2HB GLU 59 2HB GLU 59 5.697 -10.205 8.169 427 1HG GLU 59 1HG GLU 59 3.848 -11.413 9.209 428 2HG GLU 59 2HG GLU 59 5.010 -12.451 10.055 429 H ASN 60 H ASN 60 4.599 -10.818 5.518 430 HA ASN 60 HA ASN 60 2.352 -12.802 5.439 431 1HB ASN 60 1HB ASN 60 1.357 -10.691 5.843 432 2HB ASN 60 2HB ASN 60 2.263 -9.941 4.500 433 1HD2 ASN 60 1HD2 ASN 60 0.869 -9.754 2.642 434 2HD2 ASN 60 2HD2 ASN 60 -0.035 -11.165 2.091 435 HA PRO 61 HA PRO 61 4.321 -13.677 1.410 436 1HB PRO 61 1HB PRO 61 4.161 -16.397 1.521 437 2HB PRO 61 2HB PRO 61 5.495 -15.468 2.262 438 1HG PRO 61 1HG PRO 61 2.994 -16.546 3.611 439 2HG PRO 61 2HG PRO 61 4.697 -16.701 4.156 440 1HD PRO 61 1HD PRO 61 3.017 -14.770 5.136 441 2HD PRO 61 2HD PRO 61 4.754 -14.460 4.912 442 H GLU 62 H GLU 62 1.177 -14.098 2.938 443 HA GLU 62 HA GLU 62 -0.020 -15.630 0.807 444 1HB GLU 62 1HB GLU 62 -0.734 -15.341 3.357 445 2HB GLU 62 2HB GLU 62 -1.628 -13.953 2.737 446 1HG GLU 62 1HG GLU 62 -1.948 -16.891 2.069 447 2HG GLU 62 2HG GLU 62 -3.155 -15.782 2.722 448 H THR 63 H THR 63 -1.064 -14.864 -0.919 449 HA THR 63 HA THR 63 -1.441 -13.699 -2.750 450 HB THR 63 HB THR 63 -2.438 -11.764 -0.653 451 HG1 THR 63 1HG THR 63 -3.560 -13.780 -0.709 452 1HG2 THR 63 1HG2 THR 63 -2.152 -10.496 -2.794 453 2HG2 THR 63 2HG2 THR 63 -3.084 -11.761 -3.630 454 3HG2 THR 63 3HG2 THR 63 -3.850 -10.762 -2.379 455 H THR 64 H THR 64 0.703 -12.202 -0.592 456 HA THR 64 HA THR 64 2.206 -10.356 -2.116 457 HB THR 64 HB THR 64 2.916 -12.449 -0.055 458 HG1 THR 64 1HG THR 64 2.814 -10.893 1.363 459 1HG2 THR 64 1HG2 THR 64 4.753 -10.239 -0.959 460 2HG2 THR 64 2HG2 THR 64 5.005 -11.332 0.422 461 3HG2 THR 64 3HG2 THR 64 5.016 -11.970 -1.219 462 H SER 65 H SER 65 2.817 -13.899 -1.696 463 HA SER 65 HA SER 65 4.782 -14.111 -3.700 464 1HB SER 65 1HB SER 65 4.313 -15.739 -1.881 465 2HB SER 65 2HB SER 65 2.810 -16.213 -2.693 466 HG SER 65 HG SER 65 4.614 -17.587 -3.154 467 H GLN 66 H GLN 66 1.249 -14.597 -3.896 468 HA GLN 66 HA GLN 66 1.084 -15.500 -6.545 469 1HB GLN 66 1HB GLN 66 -0.676 -15.536 -4.729 470 2HB GLN 66 2HB GLN 66 -0.981 -13.832 -5.050 471 1HG GLN 66 1HG GLN 66 -1.581 -14.380 -7.405 472 2HG GLN 66 2HG GLN 66 -1.288 -16.092 -7.076 473 1HE2 GLN 66 1HE2 GLN 66 -2.641 -16.993 -5.081 474 2HE2 GLN 66 2HE2 GLN 66 -4.277 -16.360 -4.997 475 H PHE 67 H PHE 67 1.168 -12.077 -5.314 476 HA PHE 67 HA PHE 67 0.834 -11.149 -8.115 477 1HB PHE 67 1HB PHE 67 0.554 -9.845 -5.412 478 2HB PHE 67 2HB PHE 67 0.774 -8.886 -6.866 479 HD1 PHE 67 1HD PHE 67 -1.074 -8.266 -8.178 480 HD2 PHE 67 2HD PHE 67 -1.434 -11.632 -5.508 481 HE1 PHE 67 1HE PHE 67 -3.496 -8.444 -8.698 482 HE2 PHE 67 2HE PHE 67 -3.837 -11.804 -6.039 483 HZ PHE 67 HZ PHE 67 -4.882 -10.195 -7.620 484 H GLY 68 H GLY 68 3.417 -12.413 -6.693 485 1HA GLY 68 1HA GLY 68 5.639 -12.251 -7.168 486 2HA GLY 68 2HA GLY 68 5.234 -11.052 -8.406 487 H ILE 69 H ILE 69 4.383 -10.585 -5.017 488 HA ILE 69 HA ILE 69 5.485 -7.932 -5.101 489 HB ILE 69 HB ILE 69 4.181 -9.538 -2.904 490 1HG1 ILE 69 1HG1 ILE 69 2.658 -9.319 -4.764 491 2HG1 ILE 69 2HG1 ILE 69 2.108 -8.355 -3.412 492 1HG2 ILE 69 1HG2 ILE 69 3.709 -7.523 -1.748 493 2HG2 ILE 69 2HG2 ILE 69 5.447 -7.636 -1.996 494 3HG2 ILE 69 3HG2 ILE 69 4.500 -6.525 -2.997 495 1HD1 ILE 69 1HD1 ILE 69 1.792 -7.205 -5.550 496 2HD1 ILE 69 2HD1 ILE 69 2.907 -6.300 -4.518 497 3HD1 ILE 69 3HD1 ILE 69 3.527 -7.261 -5.884 498 H MET 70 H MET 70 7.650 -8.168 -5.363 499 HA MET 70 HA MET 70 9.198 -8.810 -2.874 500 1HB MET 70 1HB MET 70 9.378 -10.213 -5.116 501 2HB MET 70 2HB MET 70 10.380 -8.876 -5.671 502 1HG MET 70 1HG MET 70 10.838 -10.468 -3.121 503 2HG MET 70 2HG MET 70 11.525 -10.898 -4.681 504 1HE MET 70 1HE MET 70 12.940 -10.342 -1.740 505 2HE MET 70 2HE MET 70 13.675 -8.729 -1.589 506 3HE MET 70 3HE MET 70 11.910 -8.915 -1.477 507 H SER 71 H SER 71 8.291 -6.358 -5.175 508 HA SER 71 HA SER 71 10.756 -4.936 -5.353 509 1HB SER 71 1HB SER 71 9.103 -3.539 -6.812 510 2HB SER 71 2HB SER 71 9.490 -5.197 -7.291 511 HG SER 71 HG SER 71 7.153 -4.568 -7.251 512 H ILE 72 H ILE 72 10.209 -4.895 -2.664 513 HA ILE 72 HA ILE 72 8.443 -2.802 -2.013 514 HB ILE 72 HB ILE 72 9.085 -3.097 0.311 515 1HG1 ILE 72 1HG1 ILE 72 11.048 -5.213 -0.647 516 2HG1 ILE 72 2HG1 ILE 72 11.489 -3.619 -0.011 517 1HG2 ILE 72 1HG2 ILE 72 8.604 -5.777 -1.009 518 2HG2 ILE 72 2HG2 ILE 72 7.975 -5.123 0.534 519 3HG2 ILE 72 3HG2 ILE 72 7.387 -4.484 -0.990 520 1HD1 ILE 72 1HD1 ILE 72 10.084 -5.856 1.473 521 2HD1 ILE 72 2HD1 ILE 72 11.651 -5.098 1.826 522 3HD1 ILE 72 3HD1 ILE 72 10.157 -4.185 2.082 523 HA PRO 73 HA PRO 73 8.158 -1.225 0.039 524 1HB PRO 73 1HB PRO 73 7.406 1.362 -0.321 525 2HB PRO 73 2HB PRO 73 8.502 0.816 0.952 526 1HG PRO 73 1HG PRO 73 9.213 2.033 -1.726 527 2HG PRO 73 2HG PRO 73 9.927 2.421 -0.134 528 1HD PRO 73 1HD PRO 73 11.146 0.747 -1.911 529 2HD PRO 73 2HD PRO 73 11.227 0.435 -0.155 530 H THR 74 H THR 74 6.327 -1.937 -0.927 531 HA THR 74 HA THR 74 5.649 -0.981 -3.677 532 HB THR 74 HB THR 74 4.849 -3.652 -2.486 533 HG1 THR 74 1HG THR 74 7.147 -3.042 -3.997 534 1HG2 THR 74 1HG2 THR 74 4.375 -4.272 -4.814 535 2HG2 THR 74 2HG2 THR 74 3.391 -2.906 -4.265 536 3HG2 THR 74 3HG2 THR 74 4.764 -2.622 -5.334 537 H LEU 75 H LEU 75 3.641 -0.068 -3.851 538 HA LEU 75 HA LEU 75 1.787 -0.243 -1.540 539 1HB LEU 75 1HB LEU 75 3.042 1.914 -1.582 540 2HB LEU 75 2HB LEU 75 2.322 2.271 -3.130 541 HG LEU 75 HG LEU 75 0.421 1.415 -0.941 542 1HD1 LEU 75 1HD1 LEU 75 1.734 4.149 -1.039 543 2HD1 LEU 75 2HD1 LEU 75 0.372 3.679 0.004 544 3HD1 LEU 75 3HD1 LEU 75 1.945 2.909 0.222 545 1HD2 LEU 75 1HD2 LEU 75 -0.458 1.977 -3.197 546 2HD2 LEU 75 2HD2 LEU 75 -1.012 3.148 -2.006 547 3HD2 LEU 75 3HD2 LEU 75 0.321 3.566 -3.096 548 H ILE 76 H ILE 76 0.007 -1.273 -2.313 549 HA ILE 76 HA ILE 76 -0.792 -0.720 -5.139 550 HB ILE 76 HB ILE 76 -1.164 -3.347 -3.674 551 1HG1 ILE 76 1HG1 ILE 76 0.871 -2.473 -5.748 552 2HG1 ILE 76 2HG1 ILE 76 1.164 -3.149 -4.145 553 1HG2 ILE 76 1HG2 ILE 76 -1.979 -4.194 -5.830 554 2HG2 ILE 76 2HG2 ILE 76 -2.947 -2.822 -5.349 555 3HG2 ILE 76 3HG2 ILE 76 -1.687 -2.618 -6.592 556 1HD1 ILE 76 1HD1 ILE 76 0.126 -4.662 -6.562 557 2HD1 ILE 76 2HD1 ILE 76 1.708 -4.777 -5.791 558 3HD1 ILE 76 3HD1 ILE 76 0.261 -5.335 -4.914 559 H LEU 77 H LEU 77 -2.943 -0.345 -5.421 560 HA LEU 77 HA LEU 77 -4.587 -0.109 -2.958 561 1HB LEU 77 1HB LEU 77 -3.782 2.080 -3.763 562 2HB LEU 77 2HB LEU 77 -4.678 1.852 -5.273 563 HG LEU 77 HG LEU 77 -6.028 1.644 -2.571 564 1HD1 LEU 77 1HD1 LEU 77 -6.562 4.042 -2.649 565 2HD1 LEU 77 2HD1 LEU 77 -4.815 3.784 -2.581 566 3HD1 LEU 77 3HD1 LEU 77 -5.554 4.210 -4.108 567 1HD2 LEU 77 1HD2 LEU 77 -7.031 2.434 -5.325 568 2HD2 LEU 77 2HD2 LEU 77 -7.461 0.963 -4.426 569 3HD2 LEU 77 3HD2 LEU 77 -8.004 2.532 -3.842 570 H PHE 78 H PHE 78 -6.283 -1.333 -3.024 571 HA PHE 78 HA PHE 78 -7.042 -2.710 -5.545 572 1HB PHE 78 1HB PHE 78 -7.269 -3.587 -2.643 573 2HB PHE 78 2HB PHE 78 -7.743 -4.544 -4.030 574 HD1 PHE 78 1HD PHE 78 -4.851 -3.201 -2.128 575 HD2 PHE 78 2HD PHE 78 -6.131 -5.812 -5.319 576 HE1 PHE 78 1HE PHE 78 -2.641 -4.311 -2.116 577 HE2 PHE 78 2HE PHE 78 -3.915 -6.921 -5.297 578 HZ PHE 78 HZ PHE 78 -2.165 -6.173 -3.698 579 H LYS 79 H LYS 79 -9.301 -3.384 -5.652 580 HA LYS 79 HA LYS 79 -11.098 -2.904 -3.484 581 1HB LYS 79 1HB LYS 79 -12.829 -1.671 -4.750 582 2HB LYS 79 2HB LYS 79 -11.405 -0.721 -4.408 583 1HG LYS 79 1HG LYS 79 -10.790 -1.692 -6.956 584 2HG LYS 79 2HG LYS 79 -12.549 -1.625 -7.019 585 1HD LYS 79 1HD LYS 79 -11.630 0.435 -7.855 586 2HD LYS 79 2HD LYS 79 -12.414 0.792 -6.298 587 1HE LYS 79 1HE LYS 79 -10.234 0.757 -5.151 588 2HE LYS 79 2HE LYS 79 -9.441 0.164 -6.606 589 1HZ LYS 79 1HZ LYS 79 -9.983 2.242 -7.695 590 2HZ LYS 79 2HZ LYS 79 -10.750 2.801 -6.351 591 3HZ LYS 79 3HZ LYS 79 -9.126 2.525 -6.322 592 H GLY 80 H GLY 80 -12.301 -4.788 -3.494 593 1HA GLY 80 1HA GLY 80 -13.206 -6.749 -4.195 594 2HA GLY 80 2HA GLY 80 -13.833 -5.793 -5.533 595 H GLY 81 H GLY 81 -10.531 -6.873 -4.695 596 1HA GLY 81 1HA GLY 81 -9.089 -8.332 -5.722 597 2HA GLY 81 2HA GLY 81 -10.320 -8.714 -6.922 598 H GLU 82 H GLU 82 -10.176 -5.404 -7.236 599 HA GLU 82 HA GLU 82 -8.344 -5.682 -9.518 600 1HB GLU 82 1HB GLU 82 -10.649 -4.988 -9.894 601 2HB GLU 82 2HB GLU 82 -10.439 -3.602 -8.828 602 1HG GLU 82 1HG GLU 82 -10.302 -2.866 -11.118 603 2HG GLU 82 2HG GLU 82 -8.724 -2.663 -10.369 604 HA PRO 83 HA PRO 83 -5.496 -2.944 -7.135 605 1HB PRO 83 1HB PRO 83 -3.171 -3.648 -8.328 606 2HB PRO 83 2HB PRO 83 -3.970 -4.676 -7.098 607 1HG PRO 83 1HG PRO 83 -4.147 -4.942 -10.119 608 2HG PRO 83 2HG PRO 83 -3.761 -6.206 -8.912 609 1HD PRO 83 1HD PRO 83 -6.278 -5.851 -9.892 610 2HD PRO 83 2HD PRO 83 -5.989 -6.340 -8.195 611 H VAL 84 H VAL 84 -6.508 -1.077 -8.077 612 HA VAL 84 HA VAL 84 -6.418 -0.386 -10.826 613 HB VAL 84 HB VAL 84 -6.866 1.925 -9.824 614 1HG1 VAL 84 1HG1 VAL 84 -9.232 1.372 -9.419 615 2HG1 VAL 84 2HG1 VAL 84 -8.613 0.389 -10.744 616 3HG1 VAL 84 3HG1 VAL 84 -8.801 -0.338 -9.138 617 1HG2 VAL 84 1HG2 VAL 84 -7.446 0.506 -7.236 618 2HG2 VAL 84 2HG2 VAL 84 -5.947 1.396 -7.530 619 3HG2 VAL 84 3HG2 VAL 84 -7.480 2.252 -7.625 620 H LYS 85 H LYS 85 -4.064 0.076 -8.374 621 HA LYS 85 HA LYS 85 -2.151 0.467 -10.457 622 1HB LYS 85 1HB LYS 85 -0.973 2.478 -9.455 623 2HB LYS 85 2HB LYS 85 -2.396 2.803 -10.385 624 1HG LYS 85 1HG LYS 85 -2.576 2.545 -7.363 625 2HG LYS 85 2HG LYS 85 -1.932 4.008 -8.085 626 1HD LYS 85 1HD LYS 85 -4.743 2.966 -8.670 627 2HD LYS 85 2HD LYS 85 -4.335 4.143 -7.460 628 1HE LYS 85 1HE LYS 85 -4.939 5.539 -9.157 629 2HE LYS 85 2HE LYS 85 -3.194 5.465 -9.423 630 1HZ LYS 85 1HZ LYS 85 -3.713 4.846 -11.434 631 2HZ LYS 85 2HZ LYS 85 -4.330 3.393 -10.891 632 3HZ LYS 85 3HZ LYS 85 -5.348 4.694 -11.039 633 H GLN 86 H GLN 86 0.034 0.268 -9.775 634 HA GLN 86 HA GLN 86 0.591 -0.550 -7.008 635 1HB GLN 86 1HB GLN 86 0.804 -2.588 -8.257 636 2HB GLN 86 2HB GLN 86 1.599 -1.778 -9.615 637 1HG GLN 86 1HG GLN 86 3.597 -1.354 -8.306 638 2HG GLN 86 2HG GLN 86 2.872 -1.999 -6.847 639 1HE2 GLN 86 1HE2 GLN 86 1.662 -4.422 -8.300 640 2HE2 GLN 86 2HE2 GLN 86 3.082 -5.409 -8.609 641 H LEU 87 H LEU 87 2.204 0.655 -6.171 642 HA LEU 87 HA LEU 87 3.920 2.372 -7.890 643 1HB LEU 87 1HB LEU 87 2.830 2.714 -5.070 644 2HB LEU 87 2HB LEU 87 4.199 3.625 -5.650 645 HG LEU 87 HG LEU 87 2.177 4.934 -5.608 646 1HD1 LEU 87 1HD1 LEU 87 3.954 5.383 -7.259 647 2HD1 LEU 87 2HD1 LEU 87 3.055 4.443 -8.470 648 3HD1 LEU 87 3HD1 LEU 87 2.361 5.935 -7.786 649 1HD2 LEU 87 1HD2 LEU 87 0.507 3.120 -6.109 650 2HD2 LEU 87 2HD2 LEU 87 0.277 4.635 -7.009 651 3HD2 LEU 87 3HD2 LEU 87 0.982 3.240 -7.822 652 H ILE 88 H ILE 88 6.161 2.250 -7.273 653 HA ILE 88 HA ILE 88 6.947 0.368 -5.193 654 HB ILE 88 HB ILE 88 8.657 -0.604 -6.804 655 1HG1 ILE 88 1HG1 ILE 88 6.745 0.476 -8.935 656 2HG1 ILE 88 2HG1 ILE 88 8.428 0.951 -8.684 657 1HG2 ILE 88 1HG2 ILE 88 6.763 -1.826 -5.872 658 2HG2 ILE 88 2HG2 ILE 88 5.741 -1.331 -7.246 659 3HG2 ILE 88 3HG2 ILE 88 7.137 -2.388 -7.496 660 1HD1 ILE 88 1HD1 ILE 88 7.392 -1.737 -9.651 661 2HD1 ILE 88 2HD1 ILE 88 8.356 -0.554 -10.539 662 3HD1 ILE 88 3HD1 ILE 88 9.089 -1.445 -9.183 663 H GLY 89 H GLY 89 8.783 0.981 -4.229 664 1HA GLY 89 1HA GLY 89 10.765 2.165 -3.830 665 2HA GLY 89 2HA GLY 89 10.609 2.984 -5.397 666 H TYR 90 H TYR 90 11.333 4.476 -3.257 667 HA TYR 90 HA TYR 90 9.100 5.706 -1.888 668 1HB TYR 90 1HB TYR 90 11.158 5.607 -0.714 669 2HB TYR 90 2HB TYR 90 12.038 6.308 -2.066 670 HD1 TYR 90 1HD TYR 90 8.791 7.587 -0.599 671 HD2 TYR 90 2HD TYR 90 13.040 8.206 -1.108 672 HE1 TYR 90 1HE TYR 90 8.567 9.907 0.187 673 HE2 TYR 90 2HE TYR 90 12.810 10.510 -0.266 674 HH TYR 90 HH TYR 90 11.313 12.151 0.509 675 H GLN 91 H GLN 91 7.833 6.083 -3.859 676 HA GLN 91 HA GLN 91 8.496 8.523 -5.334 677 1HB GLN 91 1HB GLN 91 5.673 7.421 -5.027 678 2HB GLN 91 2HB GLN 91 6.326 8.423 -6.286 679 1HG GLN 91 1HG GLN 91 7.039 5.495 -5.865 680 2HG GLN 91 2HG GLN 91 6.032 6.176 -7.131 681 1HE2 GLN 91 1HE2 GLN 91 7.029 7.345 -8.930 682 2HE2 GLN 91 2HE2 GLN 91 8.774 7.231 -9.139 683 HA PRO 92 HA PRO 92 7.283 10.928 -1.686 684 1HB PRO 92 1HB PRO 92 7.313 13.455 -2.718 685 2HB PRO 92 2HB PRO 92 8.809 12.527 -2.416 686 1HG PRO 92 1HG PRO 92 7.293 12.809 -5.032 687 2HG PRO 92 2HG PRO 92 9.048 13.050 -4.743 688 1HD PRO 92 1HD PRO 92 8.048 10.696 -5.694 689 2HD PRO 92 2HD PRO 92 9.427 10.720 -4.551 690 H LYS 93 H LYS 93 5.426 12.592 -1.189 691 HA LYS 93 HA LYS 93 2.963 11.360 -1.798 692 1HB LYS 93 1HB LYS 93 3.899 13.912 -0.478 693 2HB LYS 93 2HB LYS 93 2.310 13.983 -1.194 694 1HG LYS 93 1HG LYS 93 1.805 13.301 0.956 695 2HG LYS 93 2HG LYS 93 1.770 11.794 0.055 696 1HD LYS 93 1HD LYS 93 3.175 11.019 1.629 697 2HD LYS 93 2HD LYS 93 4.452 11.906 0.818 698 1HE LYS 93 1HE LYS 93 2.689 12.959 3.071 699 2HE LYS 93 2HE LYS 93 4.296 12.291 3.297 700 1HZ LYS 93 1HZ LYS 93 5.162 14.135 1.964 701 2HZ LYS 93 2HZ LYS 93 3.643 14.788 1.865 702 3HZ LYS 93 3HZ LYS 93 4.381 14.583 3.343 703 H GLU 94 H GLU 94 4.588 14.180 -3.186 704 HA GLU 94 HA GLU 94 2.387 14.998 -4.741 705 1HB GLU 94 1HB GLU 94 5.348 15.705 -4.913 706 2HB GLU 94 2HB GLU 94 4.016 16.601 -5.648 707 1HG GLU 94 1HG GLU 94 4.448 17.753 -3.667 708 2HG GLU 94 2HG GLU 94 2.981 16.867 -3.354 709 H GLN 95 H GLN 95 4.290 12.258 -5.263 710 HA GLN 95 HA GLN 95 3.785 12.253 -8.204 711 1HB GLN 95 1HB GLN 95 6.170 12.032 -7.325 712 2HB GLN 95 2HB GLN 95 5.700 10.578 -6.506 713 1HG GLN 95 1HG GLN 95 6.834 10.073 -8.631 714 2HG GLN 95 2HG GLN 95 5.190 9.442 -8.601 715 1HE2 GLN 95 1HE2 GLN 95 6.401 12.815 -9.386 716 2HE2 GLN 95 2HE2 GLN 95 5.691 12.769 -10.993 717 H LEU 96 H LEU 96 3.883 10.389 -5.251 718 HA LEU 96 HA LEU 96 2.270 8.098 -5.867 719 1HB LEU 96 1HB LEU 96 3.838 8.698 -3.905 720 2HB LEU 96 2HB LEU 96 2.455 9.508 -3.230 721 HG LEU 96 HG LEU 96 1.947 6.713 -4.142 722 1HD1 LEU 96 1HD1 LEU 96 3.770 7.230 -1.774 723 2HD1 LEU 96 2HD1 LEU 96 3.041 5.669 -2.231 724 3HD1 LEU 96 3HD1 LEU 96 4.210 6.445 -3.306 725 1HD2 LEU 96 1HD2 LEU 96 0.742 6.578 -2.013 726 2HD2 LEU 96 2HD2 LEU 96 1.422 8.132 -1.489 727 3HD2 LEU 96 3HD2 LEU 96 0.295 8.078 -2.857 728 H GLU 97 H GLU 97 1.137 11.051 -4.163 729 HA GLU 97 HA GLU 97 -1.612 10.284 -4.412 730 1HB GLU 97 1HB GLU 97 -0.474 11.815 -2.691 731 2HB GLU 97 2HB GLU 97 -0.549 13.073 -3.919 732 1HG GLU 97 1HG GLU 97 -2.796 13.388 -3.717 733 2HG GLU 97 2HG GLU 97 -3.131 11.668 -3.505 734 H ALA 98 H ALA 98 0.620 11.788 -6.647 735 HA ALA 98 HA ALA 98 -1.477 13.058 -8.250 736 1HB ALA 98 1HB ALA 98 1.396 12.386 -9.014 737 2HB ALA 98 2HB ALA 98 0.266 13.402 -9.922 738 3HB ALA 98 3HB ALA 98 0.826 13.921 -8.323 739 H GLN 99 H GLN 99 0.475 10.033 -8.482 740 HA GLN 99 HA GLN 99 -0.912 8.885 -10.712 741 1HB GLN 99 1HB GLN 99 1.234 8.054 -9.912 742 2HB GLN 99 2HB GLN 99 0.599 7.712 -8.332 743 1HG GLN 99 1HG GLN 99 0.980 5.703 -9.766 744 2HG GLN 99 2HG GLN 99 -0.598 5.829 -9.009 745 1HE2 GLN 99 1HE2 GLN 99 0.846 7.080 -12.130 746 2HE2 GLN 99 2HE2 GLN 99 -0.471 6.448 -13.104 747 H LEU 100 H LEU 100 -1.374 8.519 -7.157 748 HA LEU 100 HA LEU 100 -3.651 6.855 -7.370 749 1HB LEU 100 1HB LEU 100 -1.954 8.177 -5.297 750 2HB LEU 100 2HB LEU 100 -3.437 7.503 -4.810 751 HG LEU 100 HG LEU 100 -1.747 5.758 -6.550 752 1HD1 LEU 100 1HD1 LEU 100 -1.101 6.233 -3.620 753 2HD1 LEU 100 2HD1 LEU 100 -0.422 4.961 -4.656 754 3HD1 LEU 100 3HD1 LEU 100 -0.083 6.651 -5.020 755 1HD2 LEU 100 1HD2 LEU 100 -3.235 5.141 -3.971 756 2HD2 LEU 100 2HD2 LEU 100 -4.004 5.116 -5.563 757 3HD2 LEU 100 3HD2 LEU 100 -2.667 3.992 -5.204 758 H ALA 101 H ALA 101 -3.419 10.231 -7.826 759 HA ALA 101 HA ALA 101 -5.739 11.270 -6.692 760 1HB ALA 101 1HB ALA 101 -4.657 11.833 -9.483 761 2HB ALA 101 2HB ALA 101 -5.767 12.858 -8.556 762 3HB ALA 101 3HB ALA 101 -4.111 12.625 -7.985 763 H ASP 102 H ASP 102 -5.478 8.976 -9.369 764 HA ASP 102 HA ASP 102 -8.154 9.273 -10.363 765 1HB ASP 102 1HB ASP 102 -6.773 8.264 -11.903 766 2HB ASP 102 2HB ASP 102 -5.773 7.493 -10.693 767 H VAL 103 H VAL 103 -7.195 8.052 -7.341 768 HA VAL 103 HA VAL 103 -10.076 7.349 -7.045 769 HB VAL 103 HB VAL 103 -8.688 5.285 -7.022 770 1HG1 VAL 103 1HG1 VAL 103 -7.384 4.693 -5.119 771 2HG1 VAL 103 2HG1 VAL 103 -6.674 6.113 -5.888 772 3HG1 VAL 103 3HG1 VAL 103 -7.603 6.286 -4.375 773 1HG2 VAL 103 1HG2 VAL 103 -10.898 5.344 -5.940 774 2HG2 VAL 103 2HG2 VAL 103 -9.761 4.249 -5.117 775 3HG2 VAL 103 3HG2 VAL 103 -10.134 5.811 -4.407 776 H LEU 104 H LEU 104 -7.356 9.250 -5.871 777 HA LEU 104 HA LEU 104 -8.847 9.991 -3.485 778 1HB LEU 104 1HB LEU 104 -6.201 10.766 -4.735 779 2HB LEU 104 2HB LEU 104 -6.923 11.740 -3.525 780 HG LEU 104 HG LEU 104 -5.592 10.466 -2.200 781 1HD1 LEU 104 1HD1 LEU 104 -7.806 8.404 -2.450 782 2HD1 LEU 104 2HD1 LEU 104 -6.673 8.586 -1.097 783 3HD1 LEU 104 3HD1 LEU 104 -7.879 9.855 -1.414 784 1HD2 LEU 104 1HD2 LEU 104 -4.587 9.185 -3.996 785 2HD2 LEU 104 2HD2 LEU 104 -4.865 8.166 -2.576 786 3HD2 LEU 104 3HD2 LEU 104 -5.946 8.031 -3.978 787 H GLN 105 H GLN 105 -9.077 10.721 -6.742 788 HA GLN 105 HA GLN 105 -10.513 13.199 -6.658 789 1HB GLN 105 2HB GLN 105 -9.648 12.189 -8.710 790 2HB GLN 105 3HB GLN 105 -10.655 10.769 -8.450 791 1HG GLN 105 2HG GLN 105 -12.695 12.200 -8.681 792 2HG GLN 105 3HG GLN 105 -11.662 13.609 -8.950 793 1HE2 GLN 105 1HE2 GLN 105 -9.708 11.903 -10.645 794 2HE2 GLN 105 2HE2 GLN 105 -10.588 11.736 -12.163 Start of MODEL 16 1 1H ALA 1 H ALA 1 -9.648 5.523 6.008 2 2H ALA 1 2HN ALA 1 -10.048 3.996 6.512 3 3H ALA 1 3HN ALA 1 -11.036 5.293 6.868 4 HA ALA 1 HA ALA 1 -9.273 6.283 8.152 5 1HB ALA 1 1HB ALA 1 -9.597 4.851 10.112 6 2HB ALA 1 2HB ALA 1 -11.109 5.058 9.216 7 3HB ALA 1 3HB ALA 1 -10.206 3.535 9.066 8 H THR 2 H THR 2 -7.976 3.547 9.591 9 HA THR 2 HA THR 2 -6.093 2.804 7.579 10 HB THR 2 HB THR 2 -5.182 4.312 10.063 11 HG1 THR 2 1HG THR 2 -5.725 5.087 7.659 12 1HG2 THR 2 1HG2 THR 2 -3.641 2.441 9.860 13 2HG2 THR 2 2HG2 THR 2 -3.493 2.682 8.108 14 3HG2 THR 2 3HG2 THR 2 -2.846 3.888 9.236 15 H MET 3 H MET 3 -5.051 0.824 8.203 16 HA MET 3 HA MET 3 -6.000 -0.538 10.639 17 1HB MET 3 1HB MET 3 -6.289 -1.547 7.772 18 2HB MET 3 2HB MET 3 -6.511 -2.559 9.204 19 1HG MET 3 1HG MET 3 -8.349 -1.134 9.972 20 2HG MET 3 2HG MET 3 -8.158 -0.091 8.560 21 1HE MET 3 1HE MET 3 -10.770 -0.346 8.179 22 2HE MET 3 2HE MET 3 -11.584 -1.916 7.978 23 3HE MET 3 3HE MET 3 -10.881 -1.476 9.551 24 H THR 4 H THR 4 -4.791 -2.996 10.345 25 HA THR 4 HA THR 4 -2.204 -2.868 9.132 26 HB THR 4 HB THR 4 -2.508 -2.884 12.136 27 HG1 THR 4 1HG THR 4 -2.129 -0.970 10.507 28 1HG2 THR 4 1HG2 THR 4 0.002 -3.531 10.526 29 2HG2 THR 4 2HG2 THR 4 -0.051 -3.214 12.272 30 3HG2 THR 4 3HG2 THR 4 -0.863 -4.641 11.619 31 H LEU 5 H LEU 5 -1.301 -5.156 9.177 32 HA LEU 5 HA LEU 5 -3.555 -7.109 9.202 33 1HB LEU 5 1HB LEU 5 -1.720 -6.390 6.900 34 2HB LEU 5 2HB LEU 5 -3.003 -7.588 6.830 35 HG LEU 5 HG LEU 5 -3.427 -4.595 7.196 36 1HD1 LEU 5 1HD1 LEU 5 -4.182 -4.657 4.806 37 2HD1 LEU 5 2HD1 LEU 5 -2.448 -4.940 5.032 38 3HD1 LEU 5 3HD1 LEU 5 -3.535 -6.300 4.694 39 1HD2 LEU 5 1HD2 LEU 5 -5.414 -6.779 6.488 40 2HD2 LEU 5 2HD2 LEU 5 -5.293 -5.969 8.060 41 3HD2 LEU 5 3HD2 LEU 5 -5.759 -5.043 6.634 42 H THR 6 H THR 6 -2.714 -9.323 8.553 43 HA THR 6 HA THR 6 0.166 -9.716 9.169 44 HB THR 6 HB THR 6 -0.455 -12.006 9.860 45 HG1 THR 6 1HG THR 6 -2.704 -12.310 10.369 46 1HG2 THR 6 1HG2 THR 6 -1.373 -11.456 12.049 47 2HG2 THR 6 2HG2 THR 6 -0.228 -10.198 11.565 48 3HG2 THR 6 3HG2 THR 6 -1.974 -9.889 11.458 49 H ASP 7 H ASP 7 -1.680 -12.248 7.855 50 HA ASP 7 HA ASP 7 -0.751 -11.758 5.043 51 1HB ASP 7 1HB ASP 7 0.745 -13.414 6.007 52 2HB ASP 7 2HB ASP 7 -0.597 -14.316 6.690 53 H ALA 8 H ALA 8 -2.763 -14.202 6.787 54 HA ALA 8 HA ALA 8 -4.753 -14.448 4.870 55 1HB ALA 8 1HB ALA 8 -4.522 -15.886 6.868 56 2HB ALA 8 2HB ALA 8 -5.052 -14.542 7.909 57 3HB ALA 8 3HB ALA 8 -6.177 -15.252 6.732 58 H ASN 9 H ASN 9 -4.274 -11.822 7.122 59 HA ASN 9 HA ASN 9 -6.977 -10.747 6.886 60 1HB ASN 9 1HB ASN 9 -5.145 -10.456 8.829 61 2HB ASN 9 2HB ASN 9 -4.773 -9.019 7.861 62 1HD2 ASN 9 1HD2 ASN 9 -7.302 -10.681 9.790 63 2HD2 ASN 9 2HD2 ASN 9 -8.375 -9.298 9.802 64 H PHE 10 H PHE 10 -4.029 -10.582 5.009 65 HA PHE 10 HA PHE 10 -4.489 -7.998 3.793 66 1HB PHE 10 1HB PHE 10 -2.268 -9.097 3.780 67 2HB PHE 10 2HB PHE 10 -2.918 -10.416 2.834 68 HD1 PHE 10 1HD PHE 10 -1.536 -10.378 0.979 69 HD2 PHE 10 2HD PHE 10 -3.557 -6.741 2.135 70 HE1 PHE 10 1HE PHE 10 -0.796 -9.316 -1.089 71 HE2 PHE 10 2HE PHE 10 -2.882 -5.710 0.012 72 HZ PHE 10 HZ PHE 10 -1.452 -6.982 -1.605 73 H GLN 11 H GLN 11 -4.998 -11.358 2.590 74 HA GLN 11 HA GLN 11 -6.404 -10.597 0.264 75 1HB GLN 11 1HB GLN 11 -5.387 -12.864 0.823 76 2HB GLN 11 2HB GLN 11 -6.807 -13.179 1.835 77 1HG GLN 11 1HG GLN 11 -8.239 -12.740 -0.227 78 2HG GLN 11 2HG GLN 11 -6.751 -12.640 -1.171 79 1HE2 GLN 11 1HE2 GLN 11 -5.245 -14.750 -1.053 80 2HE2 GLN 11 2HE2 GLN 11 -6.184 -16.233 -0.892 81 H GLN 12 H GLN 12 -7.608 -11.168 3.600 82 HA GLN 12 HA GLN 12 -10.394 -10.833 2.996 83 1HB GLN 12 1HB GLN 12 -9.546 -11.793 5.106 84 2HB GLN 12 2HB GLN 12 -8.794 -10.250 5.535 85 1HG GLN 12 1HG GLN 12 -10.992 -9.174 5.703 86 2HG GLN 12 2HG GLN 12 -11.783 -10.650 5.129 87 1HE2 GLN 12 1HE2 GLN 12 -12.859 -11.583 6.877 88 2HE2 GLN 12 2HE2 GLN 12 -12.135 -11.736 8.474 89 H ALA 13 H ALA 13 -7.897 -8.425 4.088 90 HA ALA 13 HA ALA 13 -9.679 -6.250 4.194 91 1HB ALA 13 1HB ALA 13 -7.504 -6.237 5.293 92 2HB ALA 13 2HB ALA 13 -6.666 -6.266 3.722 93 3HB ALA 13 3HB ALA 13 -7.634 -4.852 4.194 94 H ILE 14 H ILE 14 -7.577 -7.342 1.472 95 HA ILE 14 HA ILE 14 -8.164 -5.141 -0.217 96 HB ILE 14 HB ILE 14 -7.409 -6.527 -2.081 97 1HG1 ILE 14 1HG1 ILE 14 -7.182 -8.818 -0.207 98 2HG1 ILE 14 2HG1 ILE 14 -8.495 -8.655 -1.364 99 1HG2 ILE 14 1HG2 ILE 14 -5.126 -6.844 -1.281 100 2HG2 ILE 14 2HG2 ILE 14 -5.810 -5.381 -0.567 101 3HG2 ILE 14 3HG2 ILE 14 -5.671 -6.855 0.395 102 1HD1 ILE 14 1HD1 ILE 14 -6.876 -8.619 -3.237 103 2HD1 ILE 14 2HD1 ILE 14 -5.556 -8.927 -2.079 104 3HD1 ILE 14 3HD1 ILE 14 -6.840 -10.127 -2.307 105 H GLN 15 H GLN 15 -10.209 -7.794 0.605 106 HA GLN 15 HA GLN 15 -11.918 -7.570 -1.718 107 1HB GLN 15 1HB GLN 15 -13.004 -9.368 -0.943 108 2HB GLN 15 2HB GLN 15 -11.544 -9.562 -0.019 109 1HG GLN 15 1HG GLN 15 -12.828 -9.785 1.774 110 2HG GLN 15 2HG GLN 15 -13.152 -8.066 1.732 111 1HE2 GLN 15 1HE2 GLN 15 -15.034 -7.631 -0.214 112 2HE2 GLN 15 2HE2 GLN 15 -16.417 -8.702 0.045 113 H GLY 16 H GLY 16 -11.459 -5.473 0.958 114 1HA GLY 16 1HA GLY 16 -14.105 -4.513 1.384 115 2HA GLY 16 2HA GLY 16 -12.610 -3.605 1.637 116 H ASP 17 H ASP 17 -15.328 -3.204 0.219 117 HA ASP 17 HA ASP 17 -14.593 -2.958 -2.567 118 1HB ASP 17 1HB ASP 17 -16.736 -3.972 -1.732 119 2HB ASP 17 2HB ASP 17 -17.299 -2.332 -1.364 120 H GLY 18 H GLY 18 -13.152 -1.120 -1.050 121 1HA GLY 18 1HA GLY 18 -13.834 1.369 -2.463 122 2HA GLY 18 2HA GLY 18 -13.642 1.486 -0.700 123 HA PRO 19 HA PRO 19 -9.416 1.744 -2.858 124 1HB PRO 19 1HB PRO 19 -8.677 4.219 -1.745 125 2HB PRO 19 2HB PRO 19 -9.371 3.966 -3.358 126 1HG PRO 19 1HG PRO 19 -10.799 4.677 -0.818 127 2HG PRO 19 2HG PRO 19 -11.032 5.392 -2.441 128 1HD PRO 19 1HD PRO 19 -12.722 3.554 -1.402 129 2HD PRO 19 2HD PRO 19 -12.273 3.483 -3.133 130 H VAL 20 H VAL 20 -8.806 0.038 -1.684 131 HA VAL 20 HA VAL 20 -7.994 0.315 1.149 132 HB VAL 20 HB VAL 20 -8.752 -1.968 -0.716 133 1HG1 VAL 20 1HG1 VAL 20 -6.662 -2.792 0.302 134 2HG1 VAL 20 2HG1 VAL 20 -7.126 -2.146 1.895 135 3HG1 VAL 20 3HG1 VAL 20 -8.002 -3.511 1.201 136 1HG2 VAL 20 1HG2 VAL 20 -9.554 -1.304 2.148 137 2HG2 VAL 20 2HG2 VAL 20 -10.480 -0.871 0.694 138 3HG2 VAL 20 3HG2 VAL 20 -10.233 -2.571 1.105 139 H LEU 21 H LEU 21 -5.834 0.568 1.542 140 HA LEU 21 HA LEU 21 -3.991 0.303 -0.811 141 1HB LEU 21 1HB LEU 21 -4.886 2.628 -0.095 142 2HB LEU 21 2HB LEU 21 -3.891 2.441 1.338 143 HG LEU 21 HG LEU 21 -1.861 2.197 -0.137 144 1HD1 LEU 21 1HD1 LEU 21 -2.322 3.074 -2.561 145 2HD1 LEU 21 2HD1 LEU 21 -2.700 1.410 -2.201 146 3HD1 LEU 21 3HD1 LEU 21 -4.000 2.623 -2.263 147 1HD2 LEU 21 1HD2 LEU 21 -1.786 4.587 -0.764 148 2HD2 LEU 21 2HD2 LEU 21 -3.551 4.692 -0.592 149 3HD2 LEU 21 3HD2 LEU 21 -2.523 4.383 0.831 150 H VAL 22 H VAL 22 -2.270 -1.046 -0.493 151 HA VAL 22 HA VAL 22 -1.683 -1.767 2.342 152 HB VAL 22 HB VAL 22 -2.353 -3.492 0.549 153 1HG1 VAL 22 1HG1 VAL 22 -0.666 -4.480 -0.813 154 2HG1 VAL 22 2HG1 VAL 22 -0.825 -2.766 -1.232 155 3HG1 VAL 22 3HG1 VAL 22 0.556 -3.319 -0.263 156 1HG2 VAL 22 1HG2 VAL 22 -1.497 -4.075 2.776 157 2HG2 VAL 22 2HG2 VAL 22 -0.809 -5.167 1.563 158 3HG2 VAL 22 3HG2 VAL 22 0.178 -3.852 2.216 159 H ASP 23 H ASP 23 0.195 -1.080 3.315 160 HA ASP 23 HA ASP 23 2.503 -0.272 1.585 161 1HB ASP 23 1HB ASP 23 2.023 1.037 3.672 162 2HB ASP 23 2HB ASP 23 2.290 -0.362 4.622 163 H PHE 24 H PHE 24 3.528 -2.021 0.745 164 HA PHE 24 HA PHE 24 4.181 -4.365 2.444 165 1HB PHE 24 1HB PHE 24 4.795 -3.589 -0.408 166 2HB PHE 24 2HB PHE 24 5.610 -4.908 0.367 167 HD1 PHE 24 1HD PHE 24 4.220 -6.676 1.558 168 HD2 PHE 24 2HD PHE 24 2.693 -4.096 -1.541 169 HE1 PHE 24 1HE PHE 24 2.632 -8.422 0.894 170 HE2 PHE 24 2HE PHE 24 1.073 -5.853 -2.188 171 HZ PHE 24 HZ PHE 24 1.166 -8.107 -1.027 172 H TRP 25 H TRP 25 5.656 -3.996 3.861 173 HA TRP 25 HA TRP 25 8.176 -2.655 3.043 174 1HB TRP 25 1HB TRP 25 8.525 -1.876 5.312 175 2HB TRP 25 2HB TRP 25 7.008 -1.227 4.717 176 HD1 TRP 25 HD TRP 25 4.766 -2.619 5.645 177 HE1 TRP 25 1HE TRP 25 4.320 -3.713 7.925 178 HE3 TRP 25 3HE TRP 25 9.557 -2.727 7.447 179 HZ2 TRP 25 2HZ TRP 25 5.885 -4.669 10.191 180 HZ3 TRP 25 3HZ TRP 25 10.050 -3.742 9.642 181 HH2 TRP 25 HH TRP 25 8.228 -4.738 11.010 182 H ALA 26 H ALA 26 9.857 -3.672 5.051 183 HA ALA 26 HA ALA 26 9.017 -6.351 5.690 184 1HB ALA 26 1HB ALA 26 10.849 -7.543 4.746 185 2HB ALA 26 2HB ALA 26 10.160 -6.587 3.426 186 3HB ALA 26 3HB ALA 26 11.655 -6.052 4.202 187 H ALA 27 H ALA 27 10.368 -7.342 7.255 188 HA ALA 27 HA ALA 27 11.507 -5.657 9.212 189 1HB ALA 27 1HB ALA 27 10.453 -7.843 9.641 190 2HB ALA 27 2HB ALA 27 11.801 -8.662 8.819 191 3HB ALA 27 3HB ALA 27 12.084 -7.765 10.328 192 H TRP 28 H TRP 28 12.952 -5.949 6.358 193 HA TRP 28 HA TRP 28 15.520 -5.277 7.600 194 1HB TRP 28 1HB TRP 28 16.920 -6.387 6.190 195 2HB TRP 28 2HB TRP 28 15.698 -7.600 6.491 196 HD1 TRP 28 HD TRP 28 17.382 -5.617 3.816 197 HE1 TRP 28 1HE TRP 28 16.461 -6.109 1.491 198 HE3 TRP 28 3HE TRP 28 13.390 -8.572 5.123 199 HZ2 TRP 28 2HZ TRP 28 14.150 -7.408 0.338 200 HZ3 TRP 28 3HZ TRP 28 11.812 -9.362 3.365 201 HH2 TRP 28 HH TRP 28 12.162 -8.742 0.999 202 H CYS 29 H CYS 29 14.112 -5.323 4.353 203 HA CYS 29 HA CYS 29 13.881 -3.793 2.725 204 1HB CYS 29 1HB CYS 29 11.774 -3.843 3.739 205 2HB CYS 29 2HB CYS 29 12.286 -2.805 5.063 206 H GLY 30 H GLY 30 13.822 -1.166 5.136 207 1HA GLY 30 1HA GLY 30 15.645 0.428 5.393 208 2HA GLY 30 2HA GLY 30 16.099 0.163 3.713 209 HA PRO 31 HA PRO 31 13.944 3.769 2.671 210 1HB PRO 31 1HB PRO 31 12.807 3.250 0.170 211 2HB PRO 31 2HB PRO 31 14.529 3.623 0.499 212 1HG PRO 31 1HG PRO 31 13.227 0.926 0.107 213 2HG PRO 31 2HG PRO 31 14.789 1.512 -0.536 214 1HD PRO 31 1HD PRO 31 14.640 -0.094 1.642 215 2HD PRO 31 2HD PRO 31 15.852 1.219 1.554 216 H CYS 32 H CYS 32 11.848 0.969 2.805 217 HA CYS 32 HA CYS 32 9.294 2.227 2.778 218 1HB CYS 32 1HB CYS 32 8.733 0.483 4.541 219 2HB CYS 32 2HB CYS 32 9.282 -0.133 2.990 220 H ARG 33 H ARG 33 11.892 2.308 5.282 221 HA ARG 33 HA ARG 33 10.224 3.448 7.325 222 1HB ARG 33 1HB ARG 33 12.566 2.272 7.447 223 2HB ARG 33 2HB ARG 33 13.204 3.886 7.109 224 1HG ARG 33 1HG ARG 33 11.920 4.719 9.142 225 2HG ARG 33 2HG ARG 33 11.417 3.045 9.439 226 1HD ARG 33 1HD ARG 33 13.865 2.413 9.539 227 2HD ARG 33 2HD ARG 33 14.275 4.126 9.441 228 HE ARG 33 HE ARG 33 13.347 2.625 11.713 229 1HH1 ARG 33 2HH2 ARG 33 13.270 5.898 10.380 230 2HH1 ARG 33 1HH2 ARG 33 13.072 6.692 11.904 231 1HH2 ARG 33 2HH1 ARG 33 13.066 3.651 13.755 232 2HH2 ARG 33 1HH1 ARG 33 12.947 5.367 13.865 233 H MET 34 H MET 34 11.444 4.836 4.402 234 HA MET 34 HA MET 34 11.205 7.597 5.402 235 1HB MET 34 1HB MET 34 12.449 6.351 2.910 236 2HB MET 34 2HB MET 34 12.379 8.083 3.211 237 1HG MET 34 1HG MET 34 13.965 8.017 4.896 238 2HG MET 34 2HG MET 34 13.641 6.342 5.313 239 1HE MET 34 1HE MET 34 14.259 7.490 1.544 240 2HE MET 34 2HE MET 34 15.194 8.660 2.509 241 3HE MET 34 3HE MET 34 16.030 7.458 1.496 242 H MET 35 H MET 35 9.515 5.177 3.695 243 HA MET 35 HA MET 35 7.847 7.030 2.129 244 1HB MET 35 1HB MET 35 8.858 4.883 1.152 245 2HB MET 35 2HB MET 35 7.735 3.987 2.180 246 1HG MET 35 1HG MET 35 5.842 5.066 1.092 247 2HG MET 35 2HG MET 35 6.903 6.120 0.163 248 1HE MET 35 1HE MET 35 5.486 5.479 -2.003 249 2HE MET 35 2HE MET 35 5.211 3.797 -2.528 250 3HE MET 35 3HE MET 35 4.470 4.389 -1.025 251 H ALA 36 H ALA 36 7.786 4.694 4.849 252 HA ALA 36 HA ALA 36 5.135 4.752 5.598 253 1HB ALA 36 1HB ALA 36 5.952 4.348 7.896 254 2HB ALA 36 2HB ALA 36 6.768 3.344 6.680 255 3HB ALA 36 3HB ALA 36 7.602 4.747 7.375 256 HA PRO 37 HA PRO 37 5.505 8.931 7.907 257 1HB PRO 37 1HB PRO 37 7.471 10.726 7.127 258 2HB PRO 37 2HB PRO 37 7.580 9.630 8.541 259 1HG PRO 37 1HG PRO 37 8.690 9.223 5.765 260 2HG PRO 37 2HG PRO 37 9.514 8.959 7.334 261 1HD PRO 37 1HD PRO 37 8.448 6.888 5.992 262 2HD PRO 37 2HD PRO 37 8.268 6.988 7.761 263 H VAL 38 H VAL 38 6.567 8.692 4.445 264 HA VAL 38 HA VAL 38 5.065 11.000 3.626 265 HB VAL 38 HB VAL 38 6.774 9.031 2.442 266 1HG1 VAL 38 1HG1 VAL 38 4.315 9.586 0.744 267 2HG1 VAL 38 2HG1 VAL 38 5.848 8.902 0.162 268 3HG1 VAL 38 3HG1 VAL 38 4.874 8.005 1.325 269 1HG2 VAL 38 1HG2 VAL 38 7.239 10.796 0.857 270 2HG2 VAL 38 2HG2 VAL 38 5.767 11.655 1.333 271 3HG2 VAL 38 3HG2 VAL 38 7.106 11.473 2.489 272 H LEU 39 H LEU 39 4.281 7.555 3.960 273 HA LEU 39 HA LEU 39 1.588 7.644 3.077 274 1HB LEU 39 1HB LEU 39 3.399 5.767 4.512 275 2HB LEU 39 2HB LEU 39 1.696 5.557 4.837 276 HG LEU 39 HG LEU 39 1.171 5.117 2.550 277 1HD1 LEU 39 1HD1 LEU 39 2.575 6.652 1.299 278 2HD1 LEU 39 2HD1 LEU 39 4.043 5.879 1.922 279 3HD1 LEU 39 3HD1 LEU 39 2.997 5.009 0.801 280 1HD2 LEU 39 1HD2 LEU 39 2.510 3.071 2.232 281 2HD2 LEU 39 2HD2 LEU 39 3.774 3.693 3.301 282 3HD2 LEU 39 3HD2 LEU 39 2.166 3.310 3.951 283 H GLU 40 H GLU 40 3.094 8.304 6.247 284 HA GLU 40 HA GLU 40 0.664 8.284 7.757 285 1HB GLU 40 1HB GLU 40 2.980 8.023 8.634 286 2HB GLU 40 2HB GLU 40 3.293 9.730 8.303 287 1HG GLU 40 1HG GLU 40 1.681 10.425 9.954 288 2HG GLU 40 2HG GLU 40 1.042 8.781 10.107 289 H GLU 41 H GLU 41 2.599 10.939 6.302 290 HA GLU 41 HA GLU 41 0.780 13.095 6.758 291 1HB GLU 41 1HB GLU 41 2.563 12.495 4.376 292 2HB GLU 41 2HB GLU 41 1.776 14.044 4.640 293 1HG GLU 41 1HG GLU 41 3.198 14.512 6.544 294 2HG GLU 41 2HG GLU 41 3.889 12.881 6.501 295 H PHE 42 H PHE 42 1.031 10.804 4.002 296 HA PHE 42 HA PHE 42 -1.107 11.745 2.428 297 1HB PHE 42 1HB PHE 42 0.694 10.173 1.760 298 2HB PHE 42 2HB PHE 42 -0.010 8.943 2.795 299 HD1 PHE 42 1HD PHE 42 -2.058 7.738 2.158 300 HD2 PHE 42 2HD PHE 42 -0.183 10.643 -0.433 301 HE1 PHE 42 1HE PHE 42 -3.270 6.803 0.222 302 HE2 PHE 42 2HE PHE 42 -1.365 9.663 -2.373 303 HZ PHE 42 HZ PHE 42 -2.889 7.763 -2.067 304 H ALA 43 H ALA 43 -1.124 9.269 5.072 305 HA ALA 43 HA ALA 43 -3.856 8.641 4.921 306 1HB ALA 43 1HB ALA 43 -2.217 7.279 6.166 307 2HB ALA 43 2HB ALA 43 -2.034 8.579 7.361 308 3HB ALA 43 3HB ALA 43 -3.588 7.746 7.185 309 H GLU 44 H GLU 44 -2.173 11.032 7.033 310 HA GLU 44 HA GLU 44 -4.464 12.095 8.296 311 1HB GLU 44 1HB GLU 44 -1.886 13.480 7.459 312 2HB GLU 44 2HB GLU 44 -3.137 14.248 8.437 313 1HG GLU 44 1HG GLU 44 -2.894 12.504 10.169 314 2HG GLU 44 2HG GLU 44 -1.606 11.738 9.237 315 H ALA 45 H ALA 45 -2.983 13.044 5.204 316 HA ALA 45 HA ALA 45 -4.832 15.126 4.576 317 1HB ALA 45 1HB ALA 45 -3.083 13.445 2.723 318 2HB ALA 45 2HB ALA 45 -3.797 15.025 2.339 319 3HB ALA 45 3HB ALA 45 -2.556 14.896 3.603 320 H HIS 46 H HIS 46 -5.421 11.750 4.516 321 HA HIS 46 HA HIS 46 -7.644 12.028 2.513 322 1HB HIS 46 1HB HIS 46 -5.640 9.877 2.680 323 2HB HIS 46 2HB HIS 46 -6.993 9.902 1.559 324 HD1 HIS 46 1HD HIS 46 -6.103 13.251 1.076 325 HD2 HIS 46 2HD HIS 46 -4.212 9.559 0.344 326 HE1 HIS 46 1HE HIS 46 -4.656 13.539 -1.096 327 HE2 HIS 46 2HE HIS 46 -3.574 11.284 -1.531 328 H ALA 47 H ALA 47 -7.040 11.298 5.595 329 HA ALA 47 HA ALA 47 -7.257 9.125 6.551 330 1HB ALA 47 1HB ALA 47 -9.285 11.178 7.477 331 2HB ALA 47 2HB ALA 47 -8.640 9.827 8.441 332 3HB ALA 47 3HB ALA 47 -7.555 11.119 7.889 333 H ASP 48 H ASP 48 -10.491 10.192 5.353 334 HA ASP 48 HA ASP 48 -11.199 7.301 5.265 335 1HB ASP 48 1HB ASP 48 -12.615 9.431 6.787 336 2HB ASP 48 2HB ASP 48 -13.592 8.188 6.002 337 H LYS 49 H LYS 49 -10.542 9.563 3.110 338 HA LYS 49 HA LYS 49 -12.733 8.766 1.291 339 1HB LYS 49 1HB LYS 49 -11.480 10.845 0.822 340 2HB LYS 49 2HB LYS 49 -9.976 9.929 0.665 341 1HG LYS 49 1HG LYS 49 -10.764 8.714 -1.242 342 2HG LYS 49 2HG LYS 49 -12.426 9.263 -1.034 343 1HD LYS 49 1HD LYS 49 -10.141 11.119 -1.796 344 2HD LYS 49 2HD LYS 49 -11.087 10.185 -2.965 345 1HE LYS 49 1HE LYS 49 -13.182 11.265 -2.036 346 2HE LYS 49 2HE LYS 49 -12.121 12.347 -1.108 347 1HZ LYS 49 1HZ LYS 49 -11.090 12.810 -3.432 348 2HZ LYS 49 2HZ LYS 49 -12.384 12.156 -4.069 349 3HZ LYS 49 3HZ LYS 49 -12.590 13.476 -3.123 350 H VAL 50 H VAL 50 -9.762 7.520 2.664 351 HA VAL 50 HA VAL 50 -9.880 5.093 0.961 352 HB VAL 50 HB VAL 50 -7.470 5.044 0.874 353 1HG1 VAL 50 1HG1 VAL 50 -8.287 7.874 0.101 354 2HG1 VAL 50 2HG1 VAL 50 -6.990 6.884 -0.592 355 3HG1 VAL 50 3HG1 VAL 50 -8.683 6.429 -0.844 356 1HG2 VAL 50 1HG2 VAL 50 -6.045 6.890 1.729 357 2HG2 VAL 50 2HG2 VAL 50 -7.461 7.623 2.507 358 3HG2 VAL 50 3HG2 VAL 50 -6.866 6.042 3.041 359 H THR 51 H THR 51 -8.540 3.237 2.063 360 HA THR 51 HA THR 51 -8.032 3.830 4.821 361 HB THR 51 HB THR 51 -10.315 2.732 4.674 362 HG1 THR 51 1HG THR 51 -8.627 1.390 6.415 363 1HG2 THR 51 1HG2 THR 51 -9.721 0.843 3.208 364 2HG2 THR 51 2HG2 THR 51 -8.665 0.191 4.483 365 3HG2 THR 51 3HG2 THR 51 -10.418 0.329 4.760 366 H VAL 52 H VAL 52 -5.937 3.593 5.058 367 HA VAL 52 HA VAL 52 -4.526 1.734 3.263 368 HB VAL 52 HB VAL 52 -3.707 3.894 3.168 369 1HG1 VAL 52 1HG1 VAL 52 -4.454 4.921 5.257 370 2HG1 VAL 52 2HG1 VAL 52 -3.267 3.956 6.164 371 3HG1 VAL 52 3HG1 VAL 52 -2.730 5.194 5.018 372 1HG2 VAL 52 1HG2 VAL 52 -1.369 3.749 3.623 373 2HG2 VAL 52 2HG2 VAL 52 -1.621 2.444 4.792 374 3HG2 VAL 52 3HG2 VAL 52 -1.958 2.184 3.064 375 H ALA 53 H ALA 53 -2.808 0.372 4.140 376 HA ALA 53 HA ALA 53 -2.874 -0.104 6.981 377 1HB ALA 53 1HB ALA 53 -3.498 -2.388 5.040 378 2HB ALA 53 2HB ALA 53 -3.370 -2.495 6.816 379 3HB ALA 53 3HB ALA 53 -4.713 -1.612 6.077 380 H LYS 54 H LYS 54 -1.161 -1.979 7.437 381 HA LYS 54 HA LYS 54 1.091 -1.647 5.562 382 1HB LYS 54 1HB LYS 54 1.033 0.219 7.186 383 2HB LYS 54 2HB LYS 54 1.012 -0.916 8.543 384 1HG LYS 54 1HG LYS 54 3.266 -1.606 8.118 385 2HG LYS 54 2HG LYS 54 3.270 -0.848 6.528 386 1HD LYS 54 1HD LYS 54 2.838 1.389 7.850 387 2HD LYS 54 2HD LYS 54 3.393 0.479 9.254 388 1HE LYS 54 1HE LYS 54 4.896 1.127 6.679 389 2HE LYS 54 2HE LYS 54 5.226 1.760 8.299 390 1HZ LYS 54 1HZ LYS 54 6.773 0.053 7.734 391 2HZ LYS 54 2HZ LYS 54 5.800 -0.550 8.929 392 3HZ LYS 54 3HZ LYS 54 5.592 -1.001 7.354 393 H LEU 55 H LEU 55 2.279 -3.432 5.307 394 HA LEU 55 HA LEU 55 2.328 -5.424 7.478 395 1HB LEU 55 1HB LEU 55 1.631 -7.288 5.967 396 2HB LEU 55 2HB LEU 55 0.407 -6.185 6.560 397 HG LEU 55 HG LEU 55 0.213 -5.107 4.384 398 1HD1 LEU 55 1HD1 LEU 55 2.298 -7.135 3.469 399 2HD1 LEU 55 2HD1 LEU 55 1.259 -6.199 2.380 400 3HD1 LEU 55 3HD1 LEU 55 2.409 -5.353 3.399 401 1HD2 LEU 55 1HD2 LEU 55 -0.769 -7.039 3.167 402 2HD2 LEU 55 2HD2 LEU 55 0.049 -8.146 4.281 403 3HD2 LEU 55 3HD2 LEU 55 -1.204 -7.061 4.878 404 H ASN 56 H ASN 56 3.749 -7.118 7.309 405 HA ASN 56 HA ASN 56 6.314 -6.357 6.101 406 1HB ASN 56 1HB ASN 56 6.367 -6.885 8.434 407 2HB ASN 56 2HB ASN 56 5.368 -8.320 8.218 408 1HD2 ASN 56 1HD2 ASN 56 6.663 -9.946 8.908 409 2HD2 ASN 56 2HD2 ASN 56 8.211 -10.399 8.212 410 H VAL 57 H VAL 57 6.755 -7.117 4.102 411 HA VAL 57 HA VAL 57 5.121 -8.931 2.759 412 HB VAL 57 HB VAL 57 6.599 -7.039 1.982 413 1HG1 VAL 57 1HG1 VAL 57 8.655 -9.256 1.548 414 2HG1 VAL 57 2HG1 VAL 57 8.817 -7.549 1.126 415 3HG1 VAL 57 3HG1 VAL 57 8.759 -8.049 2.835 416 1HG2 VAL 57 1HG2 VAL 57 6.585 -7.687 -0.248 417 2HG2 VAL 57 2HG2 VAL 57 6.704 -9.415 0.149 418 3HG2 VAL 57 3HG2 VAL 57 5.219 -8.519 0.508 419 H ASP 58 H ASP 58 7.890 -9.585 4.723 420 HA ASP 58 HA ASP 58 8.574 -12.235 3.772 421 1HB ASP 58 1HB ASP 58 10.283 -11.435 4.996 422 2HB ASP 58 2HB ASP 58 9.308 -10.346 5.923 423 H GLU 59 H GLU 59 6.674 -10.986 6.436 424 HA GLU 59 HA GLU 59 5.580 -13.467 7.390 425 1HB GLU 59 1HB GLU 59 5.644 -11.566 8.801 426 2HB GLU 59 2HB GLU 59 4.731 -10.591 7.644 427 1HG GLU 59 1HG GLU 59 2.714 -11.980 8.086 428 2HG GLU 59 2HG GLU 59 3.641 -12.895 9.289 429 H ASN 60 H ASN 60 4.507 -11.229 4.870 430 HA ASN 60 HA ASN 60 2.060 -12.866 4.438 431 1HB ASN 60 1HB ASN 60 1.450 -10.662 4.958 432 2HB ASN 60 2HB ASN 60 2.699 -9.966 3.940 433 1HD2 ASN 60 1HD2 ASN 60 0.298 -12.605 2.950 434 2HD2 ASN 60 2HD2 ASN 60 -0.110 -11.671 1.530 435 HA PRO 61 HA PRO 61 4.223 -13.901 0.561 436 1HB PRO 61 1HB PRO 61 3.720 -16.582 0.512 437 2HB PRO 61 2HB PRO 61 5.074 -15.861 1.437 438 1HG PRO 61 1HG PRO 61 2.324 -16.649 2.467 439 2HG PRO 61 2HG PRO 61 3.928 -17.059 3.163 440 1HD PRO 61 1HD PRO 61 2.457 -14.968 4.089 441 2HD PRO 61 2HD PRO 61 4.230 -14.866 3.990 442 H GLU 62 H GLU 62 0.837 -14.523 1.772 443 HA GLU 62 HA GLU 62 -0.023 -15.422 -0.843 444 1HB GLU 62 1HB GLU 62 -1.125 -15.768 1.559 445 2HB GLU 62 2HB GLU 62 -1.986 -14.289 1.136 446 1HG GLU 62 1HG GLU 62 -1.968 -16.971 -0.309 447 2HG GLU 62 2HG GLU 62 -3.341 -16.182 0.467 448 H THR 63 H THR 63 -1.054 -14.283 -2.419 449 HA THR 63 HA THR 63 -1.412 -12.718 -3.898 450 HB THR 63 HB THR 63 -2.234 -11.126 -1.497 451 HG1 THR 63 1HG THR 63 -3.471 -13.107 -2.098 452 1HG2 THR 63 1HG2 THR 63 -3.489 -9.704 -3.080 453 2HG2 THR 63 2HG2 THR 63 -1.749 -9.538 -3.354 454 3HG2 THR 63 3HG2 THR 63 -2.727 -10.535 -4.452 455 H THR 64 H THR 64 0.900 -11.954 -1.517 456 HA THR 64 HA THR 64 2.525 -10.046 -2.831 457 HB THR 64 HB THR 64 3.265 -12.325 -0.957 458 HG1 THR 64 1HG THR 64 2.825 -10.985 0.632 459 1HG2 THR 64 1HG2 THR 64 5.128 -11.023 -0.224 460 2HG2 THR 64 2HG2 THR 64 5.284 -11.273 -1.967 461 3HG2 THR 64 3HG2 THR 64 4.709 -9.710 -1.349 462 H SER 65 H SER 65 3.257 -13.598 -2.506 463 HA SER 65 HA SER 65 5.179 -13.495 -4.637 464 1HB SER 65 1HB SER 65 5.073 -15.184 -2.731 465 2HB SER 65 2HB SER 65 3.744 -15.975 -3.604 466 HG SER 65 HG SER 65 5.287 -16.038 -5.432 467 H GLN 66 H GLN 66 1.743 -14.044 -4.498 468 HA GLN 66 HA GLN 66 1.184 -15.206 -7.004 469 1HB GLN 66 1HB GLN 66 -0.238 -14.587 -4.802 470 2HB GLN 66 2HB GLN 66 -0.573 -13.134 -5.747 471 1HG GLN 66 1HG GLN 66 -1.368 -14.749 -7.597 472 2HG GLN 66 2HG GLN 66 -1.352 -15.994 -6.338 473 1HE2 GLN 66 1HE2 GLN 66 -2.641 -15.167 -4.051 474 2HE2 GLN 66 2HE2 GLN 66 -4.011 -14.187 -4.470 475 H PHE 67 H PHE 67 2.147 -11.842 -6.172 476 HA PHE 67 HA PHE 67 1.824 -11.090 -9.037 477 1HB PHE 67 1HB PHE 67 1.272 -9.548 -6.494 478 2HB PHE 67 2HB PHE 67 1.719 -8.710 -7.965 479 HD1 PHE 67 1HD PHE 67 -0.835 -11.099 -6.600 480 HD2 PHE 67 2HD PHE 67 0.136 -8.208 -9.644 481 HE1 PHE 67 1HE PHE 67 -3.163 -11.196 -7.423 482 HE2 PHE 67 2HE PHE 67 -2.209 -8.275 -10.443 483 HZ PHE 67 HZ PHE 67 -3.861 -9.781 -9.346 484 H GLY 68 H GLY 68 4.141 -12.315 -7.253 485 1HA GLY 68 1HA GLY 68 6.429 -12.180 -7.305 486 2HA GLY 68 2HA GLY 68 6.259 -11.063 -8.665 487 H ILE 69 H ILE 69 4.856 -10.295 -5.523 488 HA ILE 69 HA ILE 69 6.066 -7.714 -5.536 489 HB ILE 69 HB ILE 69 4.457 -9.226 -3.487 490 1HG1 ILE 69 1HG1 ILE 69 3.298 -8.767 -5.644 491 2HG1 ILE 69 2HG1 ILE 69 2.525 -8.055 -4.241 492 1HG2 ILE 69 1HG2 ILE 69 5.581 -7.519 -2.223 493 2HG2 ILE 69 2HG2 ILE 69 5.179 -6.276 -3.416 494 3HG2 ILE 69 3HG2 ILE 69 3.913 -7.058 -2.442 495 1HD1 ILE 69 1HD1 ILE 69 3.326 -5.861 -4.797 496 2HD1 ILE 69 2HD1 ILE 69 4.356 -6.481 -6.107 497 3HD1 ILE 69 3HD1 ILE 69 2.588 -6.556 -6.244 498 H MET 70 H MET 70 8.286 -8.083 -5.584 499 HA MET 70 HA MET 70 9.471 -8.386 -2.847 500 1HB MET 70 1HB MET 70 10.636 -8.984 -5.599 501 2HB MET 70 2HB MET 70 11.563 -9.000 -4.099 502 1HG MET 70 1HG MET 70 9.158 -10.776 -4.662 503 2HG MET 70 2HG MET 70 10.841 -11.259 -4.845 504 1HE MET 70 1HE MET 70 10.057 -13.397 -3.365 505 2HE MET 70 2HE MET 70 9.410 -13.246 -1.713 506 3HE MET 70 3HE MET 70 8.451 -12.672 -3.097 507 H SER 71 H SER 71 8.812 -6.127 -5.339 508 HA SER 71 HA SER 71 11.252 -4.558 -5.093 509 1HB SER 71 1HB SER 71 10.116 -4.834 -7.252 510 2HB SER 71 2HB SER 71 8.655 -4.064 -6.598 511 HG SER 71 HG SER 71 9.958 -2.235 -6.157 512 H ILE 72 H ILE 72 10.426 -4.697 -2.589 513 HA ILE 72 HA ILE 72 8.519 -2.791 -1.824 514 HB ILE 72 HB ILE 72 9.271 -3.222 0.477 515 1HG1 ILE 72 1HG1 ILE 72 11.437 -4.922 -0.848 516 2HG1 ILE 72 2HG1 ILE 72 11.665 -3.484 0.158 517 1HG2 ILE 72 1HG2 ILE 72 7.637 -4.636 -0.878 518 2HG2 ILE 72 2HG2 ILE 72 8.957 -5.804 -1.094 519 3HG2 ILE 72 3HG2 ILE 72 8.357 -5.400 0.534 520 1HD1 ILE 72 1HD1 ILE 72 10.485 -4.741 2.022 521 2HD1 ILE 72 2HD1 ILE 72 10.626 -6.196 1.003 522 3HD1 ILE 72 3HD1 ILE 72 12.088 -5.363 1.548 523 HA PRO 73 HA PRO 73 8.184 -1.324 0.223 524 1HB PRO 73 1HB PRO 73 7.273 1.261 0.032 525 2HB PRO 73 2HB PRO 73 8.390 0.678 1.279 526 1HG PRO 73 1HG PRO 73 9.070 2.086 -1.308 527 2HG PRO 73 2HG PRO 73 9.724 2.421 0.326 528 1HD PRO 73 1HD PRO 73 11.105 0.919 -1.469 529 2HD PRO 73 2HD PRO 73 11.077 0.473 0.266 530 H THR 74 H THR 74 6.339 -2.024 -0.766 531 HA THR 74 HA THR 74 5.694 -0.995 -3.505 532 HB THR 74 HB THR 74 5.039 -3.759 -2.417 533 HG1 THR 74 1HG THR 74 7.256 -2.813 -3.831 534 1HG2 THR 74 1HG2 THR 74 4.594 -2.436 -5.087 535 2HG2 THR 74 2HG2 THR 74 4.712 -4.182 -4.914 536 3HG2 THR 74 3HG2 THR 74 3.434 -3.288 -4.057 537 H LEU 75 H LEU 75 3.580 -0.370 -3.905 538 HA LEU 75 HA LEU 75 1.768 -0.146 -1.570 539 1HB LEU 75 1HB LEU 75 3.188 1.853 -1.765 540 2HB LEU 75 2HB LEU 75 2.645 2.104 -3.363 541 HG LEU 75 HG LEU 75 0.403 1.691 -1.417 542 1HD1 LEU 75 1HD1 LEU 75 2.151 4.154 -1.266 543 2HD1 LEU 75 2HD1 LEU 75 0.594 3.928 -0.435 544 3HD1 LEU 75 3HD1 LEU 75 1.981 2.916 -0.003 545 1HD2 LEU 75 1HD2 LEU 75 1.089 3.638 -3.651 546 2HD2 LEU 75 2HD2 LEU 75 -0.127 2.337 -3.651 547 3HD2 LEU 75 3HD2 LEU 75 -0.352 3.790 -2.647 548 H ILE 76 H ILE 76 0.054 -1.373 -2.218 549 HA ILE 76 HA ILE 76 -0.768 -1.166 -5.080 550 HB ILE 76 HB ILE 76 -1.503 -3.418 -3.234 551 1HG1 ILE 76 1HG1 ILE 76 0.777 -3.338 -5.266 552 2HG1 ILE 76 2HG1 ILE 76 0.899 -3.617 -3.523 553 1HG2 ILE 76 1HG2 ILE 76 -3.042 -2.959 -5.146 554 2HG2 ILE 76 2HG2 ILE 76 -1.678 -3.073 -6.277 555 3HG2 ILE 76 3HG2 ILE 76 -2.241 -4.490 -5.372 556 1HD1 ILE 76 1HD1 ILE 76 -0.545 -5.716 -3.886 557 2HD1 ILE 76 2HD1 ILE 76 -0.217 -5.502 -5.625 558 3HD1 ILE 76 3HD1 ILE 76 1.111 -5.758 -4.492 559 H LEU 77 H LEU 77 -2.636 -0.395 -5.442 560 HA LEU 77 HA LEU 77 -4.525 0.395 -3.290 561 1HB LEU 77 1HB LEU 77 -3.585 2.053 -4.957 562 2HB LEU 77 2HB LEU 77 -4.383 1.140 -6.226 563 HG LEU 77 HG LEU 77 -5.434 3.082 -4.216 564 1HD1 LEU 77 1HD1 LEU 77 -6.921 3.582 -6.220 565 2HD1 LEU 77 2HD1 LEU 77 -5.179 3.807 -6.458 566 3HD1 LEU 77 3HD1 LEU 77 -6.002 2.396 -7.126 567 1HD2 LEU 77 1HD2 LEU 77 -7.258 0.835 -5.126 568 2HD2 LEU 77 2HD2 LEU 77 -6.790 1.241 -3.464 569 3HD2 LEU 77 3HD2 LEU 77 -7.769 2.363 -4.404 570 H PHE 78 H PHE 78 -5.895 -1.146 -3.002 571 HA PHE 78 HA PHE 78 -6.835 -2.899 -5.223 572 1HB PHE 78 1HB PHE 78 -6.834 -3.397 -2.233 573 2HB PHE 78 2HB PHE 78 -7.765 -4.347 -3.365 574 HD1 PHE 78 1HD PHE 78 -6.785 -6.039 -4.778 575 HD2 PHE 78 2HD PHE 78 -4.317 -3.562 -2.241 576 HE1 PHE 78 1HE PHE 78 -4.924 -7.656 -5.011 577 HE2 PHE 78 2HE PHE 78 -2.478 -5.203 -2.460 578 HZ PHE 78 HZ PHE 78 -2.767 -7.246 -3.854 579 H LYS 79 H LYS 79 -9.107 -3.185 -5.384 580 HA LYS 79 HA LYS 79 -10.774 -2.049 -3.293 581 1HB LYS 79 1HB LYS 79 -11.727 -0.318 -4.359 582 2HB LYS 79 2HB LYS 79 -10.254 -0.284 -5.237 583 1HG LYS 79 1HG LYS 79 -11.864 0.042 -6.842 584 2HG LYS 79 2HG LYS 79 -11.349 -1.613 -7.108 585 1HD LYS 79 1HD LYS 79 -13.853 -1.054 -7.277 586 2HD LYS 79 2HD LYS 79 -13.455 -2.472 -6.308 587 1HE LYS 79 1HE LYS 79 -13.720 -1.286 -4.247 588 2HE LYS 79 2HE LYS 79 -13.771 0.276 -5.048 589 1HZ LYS 79 1HZ LYS 79 -15.932 -0.424 -6.041 590 2HZ LYS 79 2HZ LYS 79 -15.841 -1.850 -5.179 591 3HZ LYS 79 3HZ LYS 79 -15.960 -0.467 -4.375 592 H GLY 80 H GLY 80 -12.304 -3.604 -2.854 593 1HA GLY 80 1HA GLY 80 -13.682 -5.409 -3.125 594 2HA GLY 80 2HA GLY 80 -13.885 -4.902 -4.802 595 H GLY 81 H GLY 81 -10.739 -5.865 -3.437 596 1HA GLY 81 1HA GLY 81 -9.500 -7.784 -3.699 597 2HA GLY 81 2HA GLY 81 -10.749 -8.496 -4.722 598 H GLU 82 H GLU 82 -10.443 -5.588 -6.229 599 HA GLU 82 HA GLU 82 -8.618 -6.744 -8.212 600 1HB GLU 82 1HB GLU 82 -10.811 -5.907 -8.903 601 2HB GLU 82 2HB GLU 82 -10.404 -4.284 -8.324 602 1HG GLU 82 1HG GLU 82 -8.556 -4.135 -9.954 603 2HG GLU 82 2HG GLU 82 -8.846 -5.801 -10.467 604 HA PRO 83 HA PRO 83 -5.462 -3.767 -6.663 605 1HB PRO 83 1HB PRO 83 -3.322 -4.679 -8.072 606 2HB PRO 83 2HB PRO 83 -3.956 -5.516 -6.632 607 1HG PRO 83 1HG PRO 83 -4.486 -6.174 -9.536 608 2HG PRO 83 2HG PRO 83 -4.069 -7.285 -8.192 609 1HD PRO 83 1HD PRO 83 -6.643 -6.844 -9.061 610 2HD PRO 83 2HD PRO 83 -6.250 -7.253 -7.364 611 H VAL 84 H VAL 84 -6.700 -2.058 -7.701 612 HA VAL 84 HA VAL 84 -6.786 -1.680 -10.516 613 HB VAL 84 HB VAL 84 -7.378 0.741 -9.668 614 1HG1 VAL 84 1HG1 VAL 84 -9.191 -1.647 -9.122 615 2HG1 VAL 84 2HG1 VAL 84 -9.725 0.038 -9.326 616 3HG1 VAL 84 3HG1 VAL 84 -8.989 -0.833 -10.681 617 1HG2 VAL 84 1HG2 VAL 84 -8.014 -0.759 -7.112 618 2HG2 VAL 84 2HG2 VAL 84 -6.632 0.332 -7.313 619 3HG2 VAL 84 3HG2 VAL 84 -8.284 0.952 -7.483 620 H LYS 85 H LYS 85 -4.493 -0.470 -8.037 621 HA LYS 85 HA LYS 85 -2.676 0.151 -10.260 622 1HB LYS 85 1HB LYS 85 -3.416 2.330 -8.245 623 2HB LYS 85 2HB LYS 85 -1.951 2.348 -9.218 624 1HG LYS 85 1HG LYS 85 -3.257 2.263 -11.294 625 2HG LYS 85 2HG LYS 85 -4.765 2.287 -10.374 626 1HD LYS 85 1HD LYS 85 -2.697 4.506 -10.160 627 2HD LYS 85 2HD LYS 85 -3.943 4.497 -11.405 628 1HE LYS 85 1HE LYS 85 -4.506 4.400 -8.415 629 2HE LYS 85 2HE LYS 85 -4.524 5.859 -9.415 630 1HZ LYS 85 1HZ LYS 85 -6.267 4.812 -10.794 631 2HZ LYS 85 2HZ LYS 85 -6.338 3.536 -9.763 632 3HZ LYS 85 3HZ LYS 85 -6.787 5.069 -9.302 633 H GLN 86 H GLN 86 -0.427 0.311 -9.611 634 HA GLN 86 HA GLN 86 0.267 -0.607 -6.906 635 1HB GLN 86 1HB GLN 86 0.126 -2.677 -8.027 636 2HB GLN 86 2HB GLN 86 0.799 -2.053 -9.523 637 1HG GLN 86 1HG GLN 86 2.661 -1.938 -7.170 638 2HG GLN 86 2HG GLN 86 2.160 -3.538 -7.666 639 1HE2 GLN 86 1HE2 GLN 86 2.921 -0.605 -9.810 640 2HE2 GLN 86 2HE2 GLN 86 4.176 -1.531 -10.629 641 H LEU 87 H LEU 87 2.069 0.390 -6.202 642 HA LEU 87 HA LEU 87 3.836 1.912 -8.066 643 1HB LEU 87 1HB LEU 87 2.727 2.482 -5.307 644 2HB LEU 87 2HB LEU 87 4.200 3.239 -5.854 645 HG LEU 87 HG LEU 87 2.424 4.776 -5.982 646 1HD1 LEU 87 1HD1 LEU 87 2.810 3.946 -8.863 647 2HD1 LEU 87 2HD1 LEU 87 2.702 5.579 -8.141 648 3HD1 LEU 87 3HD1 LEU 87 4.137 4.595 -7.892 649 1HD2 LEU 87 1HD2 LEU 87 0.829 2.994 -7.851 650 2HD2 LEU 87 2HD2 LEU 87 0.501 3.177 -6.113 651 3HD2 LEU 87 3HD2 LEU 87 0.386 4.574 -7.203 652 H ILE 88 H ILE 88 6.091 1.701 -7.499 653 HA ILE 88 HA ILE 88 6.824 -0.367 -5.529 654 HB ILE 88 HB ILE 88 8.299 -1.277 -7.509 655 1HG1 ILE 88 1HG1 ILE 88 5.917 -0.225 -9.104 656 2HG1 ILE 88 2HG1 ILE 88 7.583 0.348 -9.226 657 1HG2 ILE 88 1HG2 ILE 88 6.678 -2.537 -6.169 658 2HG2 ILE 88 2HG2 ILE 88 5.361 -1.991 -7.237 659 3HG2 ILE 88 3HG2 ILE 88 6.644 -3.054 -7.846 660 1HD1 ILE 88 1HD1 ILE 88 8.253 -1.978 -9.946 661 2HD1 ILE 88 2HD1 ILE 88 6.521 -2.399 -9.992 662 3HD1 ILE 88 3HD1 ILE 88 7.145 -1.139 -11.059 663 H GLY 89 H GLY 89 8.384 0.395 -4.347 664 1HA GLY 89 1HA GLY 89 10.513 1.281 -3.904 665 2HA GLY 89 2HA GLY 89 10.492 2.170 -5.441 666 H TYR 90 H TYR 90 11.119 3.596 -3.232 667 HA TYR 90 HA TYR 90 8.976 4.863 -1.867 668 1HB TYR 90 1HB TYR 90 11.249 4.759 -1.015 669 2HB TYR 90 2HB TYR 90 11.823 5.709 -2.378 670 HD1 TYR 90 1HD TYR 90 12.903 7.135 -0.639 671 HD2 TYR 90 2HD TYR 90 8.598 6.848 -0.960 672 HE1 TYR 90 1HE TYR 90 12.636 9.120 0.839 673 HE2 TYR 90 2HE TYR 90 8.353 8.765 0.516 674 HH TYR 90 HH TYR 90 9.929 9.584 2.517 675 H GLN 91 H GLN 91 7.409 5.531 -3.365 676 HA GLN 91 HA GLN 91 8.039 7.499 -5.427 677 1HB GLN 91 1HB GLN 91 5.290 7.156 -4.194 678 2HB GLN 91 2HB GLN 91 5.709 7.683 -5.807 679 1HG GLN 91 1HG GLN 91 5.834 4.870 -4.704 680 2HG GLN 91 2HG GLN 91 4.715 5.538 -5.877 681 1HE2 GLN 91 1HE2 GLN 91 7.484 3.704 -5.535 682 2HE2 GLN 91 2HE2 GLN 91 8.015 3.716 -7.201 683 HA PRO 92 HA PRO 92 7.872 10.865 -2.280 684 1HB PRO 92 1HB PRO 92 7.956 13.026 -3.959 685 2HB PRO 92 2HB PRO 92 9.406 12.056 -3.561 686 1HG PRO 92 1HG PRO 92 7.620 11.830 -5.998 687 2HG PRO 92 2HG PRO 92 9.410 11.914 -5.945 688 1HD PRO 92 1HD PRO 92 8.068 9.540 -6.146 689 2HD PRO 92 2HD PRO 92 9.584 9.677 -5.210 690 H LYS 93 H LYS 93 6.240 12.779 -2.055 691 HA LYS 93 HA LYS 93 3.615 11.650 -2.136 692 1HB LYS 93 1HB LYS 93 4.820 13.860 -0.892 693 2HB LYS 93 2HB LYS 93 3.816 14.637 -2.089 694 1HG LYS 93 1HG LYS 93 2.369 14.486 -0.248 695 2HG LYS 93 2HG LYS 93 1.873 13.161 -1.292 696 1HD LYS 93 1HD LYS 93 1.982 11.963 0.638 697 2HD LYS 93 2HD LYS 93 3.682 11.813 0.236 698 1HE LYS 93 1HE LYS 93 2.377 13.820 2.129 699 2HE LYS 93 2HE LYS 93 3.361 12.427 2.584 700 1HZ LYS 93 1HZ LYS 93 4.477 14.566 2.724 701 2HZ LYS 93 2HZ LYS 93 5.280 13.489 1.845 702 3HZ LYS 93 3HZ LYS 93 4.447 14.725 1.076 703 H GLU 94 H GLU 94 5.204 14.123 -3.957 704 HA GLU 94 HA GLU 94 3.256 14.905 -5.764 705 1HB GLU 94 1HB GLU 94 6.223 14.786 -6.426 706 2HB GLU 94 2HB GLU 94 5.008 15.901 -7.045 707 1HG GLU 94 1HG GLU 94 5.932 17.257 -5.489 708 2HG GLU 94 2HG GLU 94 4.716 16.532 -4.459 709 H GLN 95 H GLN 95 4.801 11.830 -5.778 710 HA GLN 95 HA GLN 95 4.123 11.279 -8.624 711 1HB GLN 95 1HB GLN 95 6.442 10.776 -7.773 712 2HB GLN 95 2HB GLN 95 5.776 9.751 -6.559 713 1HG GLN 95 1HG GLN 95 6.582 8.331 -8.244 714 2HG GLN 95 2HG GLN 95 4.833 8.240 -8.320 715 1HE2 GLN 95 1HE2 GLN 95 7.264 7.929 -10.320 716 2HE2 GLN 95 2HE2 GLN 95 6.666 8.809 -11.722 717 H LEU 96 H LEU 96 3.990 9.931 -5.359 718 HA LEU 96 HA LEU 96 2.194 7.813 -5.738 719 1HB LEU 96 1HB LEU 96 3.749 8.736 -3.745 720 2HB LEU 96 2HB LEU 96 2.218 9.349 -3.194 721 HG LEU 96 HG LEU 96 2.905 6.435 -3.799 722 1HD1 LEU 96 1HD1 LEU 96 2.903 6.174 -1.348 723 2HD1 LEU 96 2HD1 LEU 96 4.075 7.404 -1.830 724 3HD1 LEU 96 3HD1 LEU 96 2.514 7.886 -1.142 725 1HD2 LEU 96 1HD2 LEU 96 0.372 7.612 -2.582 726 2HD2 LEU 96 2HD2 LEU 96 0.500 6.732 -4.121 727 3HD2 LEU 96 3HD2 LEU 96 0.785 5.893 -2.587 728 H GLU 97 H GLU 97 1.425 11.143 -4.528 729 HA GLU 97 HA GLU 97 -1.409 10.696 -4.554 730 1HB GLU 97 1HB GLU 97 0.369 12.675 -3.623 731 2HB GLU 97 2HB GLU 97 -0.540 13.495 -4.886 732 1HG GLU 97 1HG GLU 97 -1.221 12.625 -2.148 733 2HG GLU 97 2HG GLU 97 -1.601 14.119 -2.988 734 H ALA 98 H ALA 98 0.916 11.563 -7.080 735 HA ALA 98 HA ALA 98 -1.140 12.746 -8.814 736 1HB ALA 98 1HB ALA 98 1.155 13.506 -9.069 737 2HB ALA 98 2HB ALA 98 1.712 11.855 -9.429 738 3HB ALA 98 3HB ALA 98 0.623 12.694 -10.550 739 H GLN 99 H GLN 99 0.601 9.634 -8.569 740 HA GLN 99 HA GLN 99 -0.790 8.253 -10.682 741 1HB GLN 99 1HB GLN 99 0.949 7.522 -8.327 742 2HB GLN 99 2HB GLN 99 -0.205 6.310 -8.821 743 1HG GLN 99 1HG GLN 99 1.560 5.684 -10.078 744 2HG GLN 99 2HG GLN 99 0.701 6.671 -11.240 745 1HE2 GLN 99 1HE2 GLN 99 1.526 9.292 -10.758 746 2HE2 GLN 99 2HE2 GLN 99 3.295 9.365 -10.795 747 H LEU 100 H LEU 100 -1.382 8.493 -7.120 748 HA LEU 100 HA LEU 100 -3.782 6.919 -7.425 749 1HB LEU 100 1HB LEU 100 -1.881 7.479 -5.348 750 2HB LEU 100 2HB LEU 100 -3.432 7.999 -4.797 751 HG LEU 100 HG LEU 100 -4.286 5.682 -5.626 752 1HD1 LEU 100 1HD1 LEU 100 -2.265 5.162 -7.025 753 2HD1 LEU 100 2HD1 LEU 100 -1.267 5.165 -5.556 754 3HD1 LEU 100 3HD1 LEU 100 -2.521 3.933 -5.778 755 1HD2 LEU 100 1HD2 LEU 100 -4.018 6.246 -3.259 756 2HD2 LEU 100 2HD2 LEU 100 -3.588 4.579 -3.590 757 3HD2 LEU 100 3HD2 LEU 100 -2.293 5.774 -3.325 758 H ALA 101 H ALA 101 -3.272 10.250 -7.870 759 HA ALA 101 HA ALA 101 -5.595 11.471 -7.018 760 1HB ALA 101 1HB ALA 101 -4.346 11.639 -9.796 761 2HB ALA 101 2HB ALA 101 -5.502 12.793 -9.103 762 3HB ALA 101 3HB ALA 101 -3.897 12.619 -8.380 763 H ASP 102 H ASP 102 -5.250 8.999 -9.488 764 HA ASP 102 HA ASP 102 -7.994 9.030 -10.440 765 1HB ASP 102 1HB ASP 102 -6.047 8.485 -11.868 766 2HB ASP 102 2HB ASP 102 -5.598 7.170 -10.795 767 H VAL 103 H VAL 103 -7.448 8.688 -7.630 768 HA VAL 103 HA VAL 103 -9.798 7.136 -7.264 769 HB VAL 103 HB VAL 103 -7.745 5.470 -6.888 770 1HG1 VAL 103 1HG1 VAL 103 -8.087 6.567 -4.075 771 2HG1 VAL 103 2HG1 VAL 103 -7.238 5.089 -4.521 772 3HG1 VAL 103 3HG1 VAL 103 -6.621 6.641 -5.088 773 1HG2 VAL 103 1HG2 VAL 103 -10.226 5.486 -5.148 774 2HG2 VAL 103 2HG2 VAL 103 -10.148 4.944 -6.838 775 3HG2 VAL 103 3HG2 VAL 103 -9.247 4.066 -5.604 776 H LEU 104 H LEU 104 -7.327 9.320 -5.995 777 HA LEU 104 HA LEU 104 -8.902 10.146 -3.726 778 1HB LEU 104 1HB LEU 104 -6.398 11.059 -5.169 779 2HB LEU 104 2HB LEU 104 -7.154 12.117 -4.054 780 HG LEU 104 HG LEU 104 -5.647 11.180 -2.690 781 1HD1 LEU 104 1HD1 LEU 104 -7.763 10.579 -1.633 782 2HD1 LEU 104 2HD1 LEU 104 -7.663 8.953 -2.408 783 3HD1 LEU 104 3HD1 LEU 104 -6.441 9.454 -1.230 784 1HD2 LEU 104 1HD2 LEU 104 -4.680 9.689 -4.342 785 2HD2 LEU 104 2HD2 LEU 104 -4.744 8.925 -2.755 786 3HD2 LEU 104 3HD2 LEU 104 -5.928 8.456 -3.998 787 H GLN 105 H GLN 105 -9.095 10.690 -7.052 788 HA GLN 105 HA GLN 105 -10.618 13.134 -7.070 789 1HB GLN 105 2HB GLN 105 -9.406 12.180 -9.036 790 2HB GLN 105 3HB GLN 105 -10.511 10.840 -9.035 791 1HG GLN 105 2HG GLN 105 -12.053 13.318 -9.038 792 2HG GLN 105 3HG GLN 105 -10.783 13.460 -10.233 793 1HE2 GLN 105 1HE2 GLN 105 -12.924 10.774 -9.124 794 2HE2 GLN 105 2HE2 GLN 105 -13.495 10.359 -10.765 Start of MODEL 17 1 1H ALA 1 H ALA 1 -9.148 5.941 9.138 2 2H ALA 1 2HN ALA 1 -10.553 6.189 9.942 3 3H ALA 1 3HN ALA 1 -9.106 6.091 10.770 4 HA ALA 1 HA ALA 1 -10.274 4.081 11.118 5 1HB ALA 1 1HB ALA 1 -11.735 4.226 9.140 6 2HB ALA 1 2HB ALA 1 -10.343 3.951 8.067 7 3HB ALA 1 3HB ALA 1 -10.909 2.668 9.164 8 H THR 2 H THR 2 -9.329 1.764 10.231 9 HA THR 2 HA THR 2 -7.642 0.364 9.952 10 HB THR 2 HB THR 2 -8.389 1.138 7.769 11 HG1 THR 2 1HG THR 2 -6.114 0.512 6.797 12 1HG2 THR 2 1HG2 THR 2 -6.906 2.503 6.335 13 2HG2 THR 2 2HG2 THR 2 -7.637 3.437 7.603 14 3HG2 THR 2 3HG2 THR 2 -5.933 2.937 7.753 15 H MET 3 H MET 3 -5.167 0.578 8.863 16 HA MET 3 HA MET 3 -3.038 1.710 9.159 17 1HB MET 3 1HB MET 3 -3.566 2.660 11.457 18 2HB MET 3 2HB MET 3 -3.154 1.059 12.102 19 1HG MET 3 1HG MET 3 -0.914 1.327 10.870 20 2HG MET 3 2HG MET 3 -1.454 2.930 10.382 21 1HE MET 3 1HE MET 3 0.585 4.175 11.248 22 2HE MET 3 2HE MET 3 1.327 3.912 12.839 23 3HE MET 3 3HE MET 3 1.321 2.602 11.636 24 H THR 4 H THR 4 -1.807 -0.350 11.259 25 HA THR 4 HA THR 4 -0.757 -1.946 9.367 26 HB THR 4 HB THR 4 -1.081 -2.791 12.241 27 HG1 THR 4 1HG THR 4 0.654 -1.385 12.631 28 1HG2 THR 4 1HG2 THR 4 1.234 -3.068 10.264 29 2HG2 THR 4 2HG2 THR 4 1.258 -3.588 11.963 30 3HG2 THR 4 3HG2 THR 4 0.177 -4.385 10.815 31 H LEU 5 H LEU 5 -1.052 -3.890 8.449 32 HA LEU 5 HA LEU 5 -3.723 -5.148 8.587 33 1HB LEU 5 1HB LEU 5 -1.932 -4.430 6.550 34 2HB LEU 5 2HB LEU 5 -1.667 -6.155 6.710 35 HG LEU 5 HG LEU 5 -3.656 -6.744 5.856 36 1HD1 LEU 5 1HD1 LEU 5 -5.294 -5.843 7.171 37 2HD1 LEU 5 2HD1 LEU 5 -4.911 -4.174 6.800 38 3HD1 LEU 5 3HD1 LEU 5 -5.669 -5.212 5.578 39 1HD2 LEU 5 1HD2 LEU 5 -4.150 -5.013 3.917 40 2HD2 LEU 5 2HD2 LEU 5 -2.680 -4.239 4.514 41 3HD2 LEU 5 3HD2 LEU 5 -2.638 -5.910 3.982 42 H THR 6 H THR 6 -3.605 -7.622 8.027 43 HA THR 6 HA THR 6 -1.476 -9.069 9.206 44 HB THR 6 HB THR 6 -3.046 -10.739 10.141 45 HG1 THR 6 1HG THR 6 -5.202 -10.175 10.442 46 1HG2 THR 6 1HG2 THR 6 -2.091 -9.021 11.671 47 2HG2 THR 6 2HG2 THR 6 -3.544 -8.028 11.439 48 3HG2 THR 6 3HG2 THR 6 -3.668 -9.627 12.204 49 H ASP 7 H ASP 7 -2.267 -11.394 8.366 50 HA ASP 7 HA ASP 7 -2.333 -11.366 5.456 51 1HB ASP 7 1HB ASP 7 -2.333 -13.821 5.696 52 2HB ASP 7 2HB ASP 7 -1.068 -13.116 6.695 53 H ALA 8 H ALA 8 -4.517 -12.612 8.000 54 HA ALA 8 HA ALA 8 -6.687 -13.158 6.313 55 1HB ALA 8 1HB ALA 8 -6.773 -12.248 9.227 56 2HB ALA 8 2HB ALA 8 -8.074 -13.094 8.361 57 3HB ALA 8 3HB ALA 8 -6.529 -13.917 8.660 58 H ASN 9 H ASN 9 -5.780 -10.084 7.817 59 HA ASN 9 HA ASN 9 -8.289 -8.838 6.939 60 1HB ASN 9 1HB ASN 9 -7.333 -8.402 9.176 61 2HB ASN 9 2HB ASN 9 -6.004 -7.554 8.392 62 1HD2 ASN 9 1HD2 ASN 9 -6.526 -5.366 9.122 63 2HD2 ASN 9 2HD2 ASN 9 -8.066 -4.644 8.695 64 H PHE 10 H PHE 10 -4.998 -9.148 5.692 65 HA PHE 10 HA PHE 10 -5.104 -7.004 3.801 66 1HB PHE 10 1HB PHE 10 -3.008 -8.271 4.070 67 2HB PHE 10 2HB PHE 10 -3.818 -9.757 3.668 68 HD1 PHE 10 1HD PHE 10 -3.048 -10.673 1.699 69 HD2 PHE 10 2HD PHE 10 -3.554 -6.382 1.883 70 HE1 PHE 10 1HE PHE 10 -2.559 -10.504 -0.686 71 HE2 PHE 10 2HE PHE 10 -3.052 -6.239 -0.505 72 HZ PHE 10 HZ PHE 10 -2.546 -8.287 -1.821 73 H GLN 11 H GLN 11 -6.025 -10.414 3.559 74 HA GLN 11 HA GLN 11 -7.334 -10.200 1.026 75 1HB GLN 11 1HB GLN 11 -7.690 -12.168 3.358 76 2HB GLN 11 2HB GLN 11 -8.264 -12.451 1.711 77 1HG GLN 11 1HG GLN 11 -6.046 -12.648 0.850 78 2HG GLN 11 2HG GLN 11 -5.310 -11.941 2.286 79 1HE2 GLN 11 1HE2 GLN 11 -4.053 -13.497 3.274 80 2HE2 GLN 11 2HE2 GLN 11 -4.682 -15.113 3.628 81 H GLN 12 H GLN 12 -8.702 -10.119 4.422 82 HA GLN 12 HA GLN 12 -11.347 -9.764 3.550 83 1HB GLN 12 1HB GLN 12 -10.368 -10.271 5.942 84 2HB GLN 12 2HB GLN 12 -10.356 -8.514 6.117 85 1HG GLN 12 1HG GLN 12 -12.381 -9.284 7.068 86 2HG GLN 12 2HG GLN 12 -12.858 -8.588 5.525 87 1HE2 GLN 12 1HE2 GLN 12 -13.674 -10.089 3.820 88 2HE2 GLN 12 2HE2 GLN 12 -13.979 -11.768 4.248 89 H ALA 13 H ALA 13 -8.788 -7.243 3.944 90 HA ALA 13 HA ALA 13 -10.564 -5.069 3.416 91 1HB ALA 13 1HB ALA 13 -8.379 -4.710 4.458 92 2HB ALA 13 2HB ALA 13 -7.550 -5.318 3.011 93 3HB ALA 13 3HB ALA 13 -8.488 -3.813 2.932 94 H ILE 14 H ILE 14 -8.186 -6.807 1.290 95 HA ILE 14 HA ILE 14 -8.978 -5.276 -0.984 96 HB ILE 14 HB ILE 14 -7.550 -6.691 -2.262 97 1HG1 ILE 14 1HG1 ILE 14 -6.410 -8.524 -0.365 98 2HG1 ILE 14 2HG1 ILE 14 -8.144 -8.819 -0.532 99 1HG2 ILE 14 1HG2 ILE 14 -6.237 -6.047 0.381 100 2HG2 ILE 14 2HG2 ILE 14 -5.418 -6.406 -1.151 101 3HG2 ILE 14 3HG2 ILE 14 -6.442 -4.980 -1.026 102 1HD1 ILE 14 1HD1 ILE 14 -6.894 -10.100 -2.210 103 2HD1 ILE 14 2HD1 ILE 14 -7.918 -8.880 -2.998 104 3HD1 ILE 14 3HD1 ILE 14 -6.171 -8.599 -2.837 105 H GLN 15 H GLN 15 -10.579 -7.985 0.350 106 HA GLN 15 HA GLN 15 -11.430 -9.550 -1.647 107 1HB GLN 15 1HB GLN 15 -13.396 -10.098 -0.418 108 2HB GLN 15 2HB GLN 15 -12.124 -9.757 0.747 109 1HG GLN 15 1HG GLN 15 -13.105 -7.450 1.062 110 2HG GLN 15 2HG GLN 15 -14.412 -7.893 -0.036 111 1HE2 GLN 15 1HE2 GLN 15 -13.564 -7.765 3.205 112 2HE2 GLN 15 2HE2 GLN 15 -15.047 -8.598 3.744 113 H GLY 16 H GLY 16 -12.667 -6.290 -1.145 114 1HA GLY 16 1HA GLY 16 -12.788 -5.144 -3.293 115 2HA GLY 16 2HA GLY 16 -13.921 -6.360 -3.864 116 H ASP 17 H ASP 17 -13.584 -3.447 -2.682 117 HA ASP 17 HA ASP 17 -16.387 -2.909 -2.853 118 1HB ASP 17 1HB ASP 17 -16.442 -3.383 -0.498 119 2HB ASP 17 2HB ASP 17 -14.944 -2.490 -0.210 120 H GLY 18 H GLY 18 -14.466 -0.657 -1.152 121 1HA GLY 18 1HA GLY 18 -14.069 0.946 -3.614 122 2HA GLY 18 2HA GLY 18 -14.417 1.523 -1.988 123 HA PRO 19 HA PRO 19 -10.046 2.380 -2.854 124 1HB PRO 19 1HB PRO 19 -9.578 4.362 -1.031 125 2HB PRO 19 2HB PRO 19 -10.608 4.629 -2.429 126 1HG PRO 19 1HG PRO 19 -11.539 3.861 0.345 127 2HG PRO 19 2HG PRO 19 -12.113 5.218 -0.685 128 1HD PRO 19 1HD PRO 19 -13.415 2.856 -0.595 129 2HD PRO 19 2HD PRO 19 -13.219 3.714 -2.156 130 H VAL 20 H VAL 20 -9.323 0.174 -2.186 131 HA VAL 20 HA VAL 20 -8.195 0.118 0.554 132 HB VAL 20 HB VAL 20 -8.502 -1.910 -1.671 133 1HG1 VAL 20 1HG1 VAL 20 -7.718 -3.555 0.168 134 2HG1 VAL 20 2HG1 VAL 20 -6.445 -2.501 -0.465 135 3HG1 VAL 20 3HG1 VAL 20 -7.203 -2.150 1.107 136 1HG2 VAL 20 1HG2 VAL 20 -10.589 -1.381 -0.400 137 2HG2 VAL 20 2HG2 VAL 20 -10.045 -3.042 -0.183 138 3HG2 VAL 20 3HG2 VAL 20 -9.764 -1.854 1.103 139 H LEU 21 H LEU 21 -5.983 0.259 0.823 140 HA LEU 21 HA LEU 21 -4.323 -0.253 -1.540 141 1HB LEU 21 1HB LEU 21 -2.716 1.624 -0.532 142 2HB LEU 21 2HB LEU 21 -3.711 1.820 -1.948 143 HG LEU 21 HG LEU 21 -4.879 2.645 0.722 144 1HD1 LEU 21 1HD1 LEU 21 -2.577 3.582 0.687 145 2HD1 LEU 21 2HD1 LEU 21 -2.935 4.306 -0.899 146 3HD1 LEU 21 3HD1 LEU 21 -3.830 4.828 0.540 147 1HD2 LEU 21 1HD2 LEU 21 -5.058 3.750 -2.129 148 2HD2 LEU 21 2HD2 LEU 21 -6.302 2.800 -1.302 149 3HD2 LEU 21 3HD2 LEU 21 -5.897 4.411 -0.717 150 H VAL 22 H VAL 22 -2.728 -1.561 -1.118 151 HA VAL 22 HA VAL 22 -2.277 -2.348 1.714 152 HB VAL 22 HB VAL 22 -2.746 -4.075 -0.112 153 1HG1 VAL 22 1HG1 VAL 22 0.064 -3.484 -1.062 154 2HG1 VAL 22 2HG1 VAL 22 -1.073 -4.716 -1.659 155 3HG1 VAL 22 3HG1 VAL 22 -1.419 -2.989 -1.878 156 1HG2 VAL 22 1HG2 VAL 22 -1.601 -4.622 2.041 157 2HG2 VAL 22 2HG2 VAL 22 -0.965 -5.609 0.708 158 3HG2 VAL 22 3HG2 VAL 22 -0.044 -4.215 1.282 159 H ASP 23 H ASP 23 -0.286 -1.696 2.688 160 HA ASP 23 HA ASP 23 1.731 -0.457 0.918 161 1HB ASP 23 1HB ASP 23 0.253 0.426 3.267 162 2HB ASP 23 2HB ASP 23 1.951 0.341 3.638 163 H PHE 24 H PHE 24 2.961 -2.186 0.440 164 HA PHE 24 HA PHE 24 3.811 -4.158 2.443 165 1HB PHE 24 1HB PHE 24 4.529 -3.725 -0.471 166 2HB PHE 24 2HB PHE 24 5.131 -5.043 0.488 167 HD1 PHE 24 1HD PHE 24 3.333 -6.497 1.741 168 HD2 PHE 24 2HD PHE 24 2.583 -4.136 -1.781 169 HE1 PHE 24 1HE PHE 24 1.608 -8.118 1.026 170 HE2 PHE 24 2HE PHE 24 0.856 -5.748 -2.491 171 HZ PHE 24 HZ PHE 24 0.407 -7.799 -1.091 172 H TRP 25 H TRP 25 5.387 -3.715 3.818 173 HA TRP 25 HA TRP 25 7.831 -2.425 2.845 174 1HB TRP 25 1HB TRP 25 8.132 -1.172 4.866 175 2HB TRP 25 2HB TRP 25 6.581 -0.706 4.192 176 HD1 TRP 25 HD TRP 25 4.407 -2.021 5.416 177 HE1 TRP 25 1HE TRP 25 4.027 -2.627 7.877 178 HE3 TRP 25 3HE TRP 25 9.211 -1.533 7.109 179 HZ2 TRP 25 2HZ TRP 25 5.663 -3.050 10.252 180 HZ3 TRP 25 3HZ TRP 25 9.771 -2.050 9.455 181 HH2 TRP 25 HH TRP 25 8.011 -2.831 11.031 182 H ALA 26 H ALA 26 9.420 -3.073 5.111 183 HA ALA 26 HA ALA 26 8.510 -5.521 6.242 184 1HB ALA 26 1HB ALA 26 9.461 -6.466 4.156 185 2HB ALA 26 2HB ALA 26 10.993 -5.613 4.467 186 3HB ALA 26 3HB ALA 26 10.444 -6.906 5.554 187 H ALA 27 H ALA 27 9.895 -6.227 7.948 188 HA ALA 27 HA ALA 27 10.966 -4.180 9.523 189 1HB ALA 27 1HB ALA 27 11.614 -7.155 9.617 190 2HB ALA 27 2HB ALA 27 11.870 -5.984 10.932 191 3HB ALA 27 3HB ALA 27 10.223 -6.355 10.385 192 H TRP 28 H TRP 28 12.678 -6.046 7.007 193 HA TRP 28 HA TRP 28 15.269 -5.113 8.008 194 1HB TRP 28 1HB TRP 28 16.167 -6.840 6.999 195 2HB TRP 28 2HB TRP 28 14.536 -7.454 6.900 196 HD1 TRP 28 HD TRP 28 17.368 -5.984 4.878 197 HE1 TRP 28 1HE TRP 28 16.948 -6.160 2.363 198 HE3 TRP 28 3HE TRP 28 12.595 -7.863 4.976 199 HZ2 TRP 28 2HZ TRP 28 14.713 -6.713 0.616 200 HZ3 TRP 28 3HZ TRP 28 11.316 -8.123 2.856 201 HH2 TRP 28 HH TRP 28 12.368 -7.487 0.692 202 H CYS 29 H CYS 29 13.057 -4.065 5.437 203 HA CYS 29 HA CYS 29 15.094 -3.547 3.556 204 1HB CYS 29 1HB CYS 29 13.282 -2.376 2.260 205 2HB CYS 29 2HB CYS 29 13.042 -4.053 2.712 206 H GLY 30 H GLY 30 15.458 -1.479 2.410 207 1HA GLY 30 1HA GLY 30 16.446 0.520 4.292 208 2HA GLY 30 2HA GLY 30 16.855 0.358 2.588 209 HA PRO 31 HA PRO 31 14.438 3.894 1.639 210 1HB PRO 31 1HB PRO 31 13.009 3.256 -0.658 211 2HB PRO 31 2HB PRO 31 14.759 3.625 -0.610 212 1HG PRO 31 1HG PRO 31 13.414 0.910 -0.617 213 2HG PRO 31 2HG PRO 31 14.815 1.457 -1.590 214 1HD PRO 31 1HD PRO 31 15.154 -0.006 0.656 215 2HD PRO 31 2HD PRO 31 16.266 1.347 0.287 216 H CYS 32 H CYS 32 12.653 0.925 2.098 217 HA CYS 32 HA CYS 32 10.030 2.017 2.271 218 1HB CYS 32 1HB CYS 32 9.467 0.015 3.425 219 2HB CYS 32 2HB CYS 32 10.614 -0.405 2.160 220 H ARG 33 H ARG 33 12.822 2.277 4.599 221 HA ARG 33 HA ARG 33 11.142 3.181 6.760 222 1HB ARG 33 1HB ARG 33 14.109 3.100 6.139 223 2HB ARG 33 2HB ARG 33 13.465 3.844 7.575 224 1HG ARG 33 1HG ARG 33 12.473 1.788 8.348 225 2HG ARG 33 2HG ARG 33 12.908 0.940 6.850 226 1HD ARG 33 1HD ARG 33 15.218 0.947 7.352 227 2HD ARG 33 2HD ARG 33 15.056 2.271 8.512 228 HE ARG 33 HE ARG 33 14.558 0.846 10.171 229 1HH1 ARG 33 2HH2 ARG 33 14.283 -1.124 7.119 230 2HH1 ARG 33 1HH2 ARG 33 13.863 -2.530 8.072 231 1HH2 ARG 33 2HH1 ARG 33 14.105 -1.180 11.237 232 2HH2 ARG 33 1HH1 ARG 33 13.844 -2.586 10.226 233 H MET 34 H MET 34 12.243 4.678 3.826 234 HA MET 34 HA MET 34 11.931 7.389 4.948 235 1HB MET 34 1HB MET 34 12.785 6.329 2.197 236 2HB MET 34 2HB MET 34 12.611 8.036 2.592 237 1HG MET 34 1HG MET 34 14.418 7.927 4.196 238 2HG MET 34 2HG MET 34 14.494 6.170 4.074 239 1HE MET 34 1HE MET 34 15.088 9.561 2.200 240 2HE MET 34 2HE MET 34 15.879 9.037 0.696 241 3HE MET 34 3HE MET 34 14.154 8.699 0.949 242 H MET 35 H MET 35 10.428 4.983 2.843 243 HA MET 35 HA MET 35 8.343 6.764 1.969 244 1HB MET 35 1HB MET 35 9.330 4.611 0.804 245 2HB MET 35 2HB MET 35 8.102 3.764 1.758 246 1HG MET 35 1HG MET 35 6.358 5.206 0.793 247 2HG MET 35 2HG MET 35 7.569 6.186 -0.030 248 1HE MET 35 1HE MET 35 6.302 6.030 -2.273 249 2HE MET 35 2HE MET 35 5.853 4.505 -3.076 250 3HE MET 35 3HE MET 35 5.032 4.985 -1.576 251 H ALA 36 H ALA 36 8.671 4.266 4.564 252 HA ALA 36 HA ALA 36 6.040 4.125 5.394 253 1HB ALA 36 1HB ALA 36 8.577 4.019 7.062 254 2HB ALA 36 2HB ALA 36 6.956 3.595 7.652 255 3HB ALA 36 3HB ALA 36 7.687 2.669 6.330 256 HA PRO 37 HA PRO 37 6.320 8.131 7.985 257 1HB PRO 37 1HB PRO 37 8.291 9.994 7.325 258 2HB PRO 37 2HB PRO 37 8.352 8.848 8.703 259 1HG PRO 37 1HG PRO 37 9.639 8.628 6.018 260 2HG PRO 37 2HG PRO 37 10.307 8.186 7.610 261 1HD PRO 37 1HD PRO 37 9.292 6.310 5.926 262 2HD PRO 37 2HD PRO 37 9.105 6.177 7.692 263 H VAL 38 H VAL 38 7.458 8.253 4.477 264 HA VAL 38 HA VAL 38 5.770 10.514 3.917 265 HB VAL 38 HB VAL 38 7.655 8.769 2.578 266 1HG1 VAL 38 1HG1 VAL 38 5.869 8.186 1.063 267 2HG1 VAL 38 2HG1 VAL 38 5.503 9.916 0.812 268 3HG1 VAL 38 3HG1 VAL 38 7.057 9.226 0.285 269 1HG2 VAL 38 1HG2 VAL 38 8.110 11.073 3.276 270 2HG2 VAL 38 2HG2 VAL 38 8.333 10.870 1.534 271 3HG2 VAL 38 3HG2 VAL 38 6.868 11.666 2.149 272 H LEU 39 H LEU 39 5.065 7.168 4.409 273 HA LEU 39 HA LEU 39 2.425 7.291 3.256 274 1HB LEU 39 1HB LEU 39 4.243 5.192 4.371 275 2HB LEU 39 2HB LEU 39 2.540 4.876 4.352 276 HG LEU 39 HG LEU 39 2.389 4.590 2.122 277 1HD1 LEU 39 1HD1 LEU 39 3.855 5.489 0.364 278 2HD1 LEU 39 2HD1 LEU 39 2.996 6.743 1.251 279 3HD1 LEU 39 3HD1 LEU 39 4.715 6.432 1.597 280 1HD2 LEU 39 1HD2 LEU 39 5.369 4.079 2.592 281 2HD2 LEU 39 2HD2 LEU 39 4.038 2.974 2.986 282 3HD2 LEU 39 3HD2 LEU 39 4.383 3.365 1.301 283 H GLU 40 H GLU 40 3.905 7.836 6.375 284 HA GLU 40 HA GLU 40 1.367 7.522 7.808 285 1HB GLU 40 1HB GLU 40 4.088 7.647 8.576 286 2HB GLU 40 2HB GLU 40 3.433 9.192 9.103 287 1HG GLU 40 1HG GLU 40 3.237 7.578 10.902 288 2HG GLU 40 2HG GLU 40 1.614 7.960 10.320 289 H GLU 41 H GLU 41 3.358 10.156 6.472 290 HA GLU 41 HA GLU 41 1.552 12.331 6.772 291 1HB GLU 41 1HB GLU 41 3.858 12.501 5.868 292 2HB GLU 41 2HB GLU 41 3.412 11.503 4.495 293 1HG GLU 41 1HG GLU 41 3.519 13.778 3.770 294 2HG GLU 41 2HG GLU 41 1.847 13.242 3.689 295 H PHE 42 H PHE 42 1.772 9.831 4.201 296 HA PHE 42 HA PHE 42 -0.523 10.599 2.772 297 1HB PHE 42 1HB PHE 42 1.292 8.853 2.176 298 2HB PHE 42 2HB PHE 42 0.360 7.719 3.132 299 HD1 PHE 42 1HD PHE 42 -1.379 10.198 0.936 300 HD2 PHE 42 2HD PHE 42 0.145 6.162 1.318 301 HE1 PHE 42 1HE PHE 42 -2.572 9.549 -1.102 302 HE2 PHE 42 2HE PHE 42 -1.113 5.533 -0.710 303 HZ PHE 42 HZ PHE 42 -2.484 7.250 -1.927 304 H ALA 43 H ALA 43 -0.236 8.173 5.439 305 HA ALA 43 HA ALA 43 -2.823 7.265 5.575 306 1HB ALA 43 1HB ALA 43 -1.028 7.821 7.957 307 2HB ALA 43 2HB ALA 43 -2.430 6.749 7.912 308 3HB ALA 43 3HB ALA 43 -0.996 6.359 6.948 309 H GLU 44 H GLU 44 -1.566 10.062 7.425 310 HA GLU 44 HA GLU 44 -4.095 10.853 8.395 311 1HB GLU 44 1HB GLU 44 -1.867 11.520 9.310 312 2HB GLU 44 2HB GLU 44 -1.685 12.663 7.967 313 1HG GLU 44 1HG GLU 44 -3.667 13.900 8.676 314 2HG GLU 44 2HG GLU 44 -4.105 12.647 9.837 315 H ALA 45 H ALA 45 -2.295 11.983 5.477 316 HA ALA 45 HA ALA 45 -4.068 13.932 4.565 317 1HB ALA 45 1HB ALA 45 -3.053 13.555 2.363 318 2HB ALA 45 2HB ALA 45 -1.806 13.436 3.624 319 3HB ALA 45 3HB ALA 45 -2.466 11.971 2.865 320 H HIS 46 H HIS 46 -4.704 10.555 4.727 321 HA HIS 46 HA HIS 46 -7.324 11.038 3.476 322 1HB HIS 46 1HB HIS 46 -7.143 8.917 2.186 323 2HB HIS 46 2HB HIS 46 -6.072 10.195 1.656 324 HD1 HIS 46 1HD HIS 46 -4.910 7.926 4.558 325 HD2 HIS 46 2HD HIS 46 -4.416 8.668 0.447 326 HE1 HIS 46 1HE HIS 46 -2.951 6.452 3.721 327 HE2 HIS 46 2HE HIS 46 -2.663 6.954 1.243 328 H ALA 47 H ALA 47 -6.568 10.867 6.245 329 HA ALA 47 HA ALA 47 -6.453 8.577 7.534 330 1HB ALA 47 1HB ALA 47 -8.155 10.934 8.435 331 2HB ALA 47 2HB ALA 47 -7.449 9.693 9.489 332 3HB ALA 47 3HB ALA 47 -6.391 10.795 8.595 333 H ASP 48 H ASP 48 -9.612 9.812 6.437 334 HA ASP 48 HA ASP 48 -10.746 7.091 6.866 335 1HB ASP 48 1HB ASP 48 -11.465 9.333 8.370 336 2HB ASP 48 2HB ASP 48 -12.702 9.290 7.122 337 H LYS 49 H LYS 49 -9.635 8.886 4.574 338 HA LYS 49 HA LYS 49 -11.940 9.132 2.721 339 1HB LYS 49 1HB LYS 49 -10.301 10.968 2.950 340 2HB LYS 49 2HB LYS 49 -9.008 9.860 2.550 341 1HG LYS 49 1HG LYS 49 -10.099 9.594 0.240 342 2HG LYS 49 2HG LYS 49 -11.102 10.982 0.678 343 1HD LYS 49 1HD LYS 49 -8.049 10.894 0.579 344 2HD LYS 49 2HD LYS 49 -9.075 11.591 -0.668 345 1HE LYS 49 1HE LYS 49 -9.766 13.385 0.745 346 2HE LYS 49 2HE LYS 49 -9.129 12.612 2.204 347 1HZ LYS 49 1HZ LYS 49 -6.933 13.060 1.560 348 2HZ LYS 49 2HZ LYS 49 -7.359 13.443 0.002 349 3HZ LYS 49 3HZ LYS 49 -7.747 14.434 1.254 350 H VAL 50 H VAL 50 -9.219 6.976 3.450 351 HA VAL 50 HA VAL 50 -10.189 5.126 1.411 352 HB VAL 50 HB VAL 50 -8.006 4.569 0.570 353 1HG1 VAL 50 1HG1 VAL 50 -8.128 7.604 0.425 354 2HG1 VAL 50 2HG1 VAL 50 -7.410 6.474 -0.741 355 3HG1 VAL 50 3HG1 VAL 50 -9.165 6.537 -0.528 356 1HG2 VAL 50 1HG2 VAL 50 -6.541 4.849 2.415 357 2HG2 VAL 50 2HG2 VAL 50 -5.982 5.958 1.168 358 3HG2 VAL 50 3HG2 VAL 50 -6.923 6.567 2.556 359 H THR 51 H THR 51 -9.098 2.834 1.893 360 HA THR 51 HA THR 51 -8.311 2.707 4.686 361 HB THR 51 HB THR 51 -10.440 1.658 4.424 362 HG1 THR 51 1HG THR 51 -9.705 -0.305 5.435 363 1HG2 THR 51 1HG2 THR 51 -9.038 -0.499 2.831 364 2HG2 THR 51 2HG2 THR 51 -10.736 -0.453 3.350 365 3HG2 THR 51 3HG2 THR 51 -10.160 0.701 2.135 366 H VAL 52 H VAL 52 -6.309 3.255 4.282 367 HA VAL 52 HA VAL 52 -4.533 1.642 2.599 368 HB VAL 52 HB VAL 52 -3.871 3.866 2.900 369 1HG1 VAL 52 1HG1 VAL 52 -4.064 3.437 5.911 370 2HG1 VAL 52 2HG1 VAL 52 -3.228 4.811 5.195 371 3HG1 VAL 52 3HG1 VAL 52 -4.968 4.611 4.932 372 1HG2 VAL 52 1HG2 VAL 52 -1.623 3.741 3.660 373 2HG2 VAL 52 2HG2 VAL 52 -1.967 2.328 4.665 374 3HG2 VAL 52 3HG2 VAL 52 -2.040 2.212 2.890 375 H ALA 53 H ALA 53 -3.019 0.173 3.485 376 HA ALA 53 HA ALA 53 -3.073 -0.308 6.357 377 1HB ALA 53 1HB ALA 53 -3.552 -2.724 6.150 378 2HB ALA 53 2HB ALA 53 -4.973 -1.715 5.824 379 3HB ALA 53 3HB ALA 53 -4.097 -2.460 4.467 380 H LYS 54 H LYS 54 -1.027 -0.644 6.955 381 HA LYS 54 HA LYS 54 0.875 -1.475 4.859 382 1HB LYS 54 1HB LYS 54 2.605 -0.513 6.015 383 2HB LYS 54 2HB LYS 54 1.279 0.633 5.916 384 1HG LYS 54 1HG LYS 54 0.687 0.007 8.338 385 2HG LYS 54 2HG LYS 54 2.171 -0.972 8.350 386 1HD LYS 54 1HD LYS 54 2.903 1.081 9.190 387 2HD LYS 54 2HD LYS 54 3.360 1.156 7.469 388 1HE LYS 54 1HE LYS 54 1.101 2.347 7.085 389 2HE LYS 54 2HE LYS 54 0.961 2.456 8.845 390 1HZ LYS 54 1HZ LYS 54 3.065 3.740 7.196 391 2HZ LYS 54 2HZ LYS 54 1.837 4.454 8.078 392 3HZ LYS 54 3HZ LYS 54 2.991 3.808 8.870 393 H LEU 55 H LEU 55 2.330 -3.213 5.096 394 HA LEU 55 HA LEU 55 2.224 -4.798 7.549 395 1HB LEU 55 1HB LEU 55 1.408 -6.812 6.678 396 2HB LEU 55 2HB LEU 55 0.266 -5.556 6.267 397 HG LEU 55 HG LEU 55 2.201 -6.927 4.361 398 1HD1 LEU 55 1HD1 LEU 55 0.157 -8.217 5.089 399 2HD1 LEU 55 2HD1 LEU 55 -0.845 -6.922 4.482 400 3HD1 LEU 55 3HD1 LEU 55 0.165 -7.853 3.358 401 1HD2 LEU 55 1HD2 LEU 55 0.916 -5.717 2.586 402 2HD2 LEU 55 2HD2 LEU 55 0.181 -4.693 3.838 403 3HD2 LEU 55 3HD2 LEU 55 1.935 -4.655 3.542 404 H ASN 56 H ASN 56 3.688 -6.521 7.616 405 HA ASN 56 HA ASN 56 6.258 -5.751 6.454 406 1HB ASN 56 1HB ASN 56 6.107 -6.035 8.890 407 2HB ASN 56 2HB ASN 56 5.294 -7.593 8.716 408 1HD2 ASN 56 1HD2 ASN 56 6.709 -8.983 9.834 409 2HD2 ASN 56 2HD2 ASN 56 8.382 -9.160 9.307 410 H VAL 57 H VAL 57 6.326 -6.566 4.375 411 HA VAL 57 HA VAL 57 4.871 -8.819 3.600 412 HB VAL 57 HB VAL 57 5.663 -6.794 2.313 413 1HG1 VAL 57 1HG1 VAL 57 7.572 -7.262 0.752 414 2HG1 VAL 57 2HG1 VAL 57 8.093 -7.063 2.444 415 3HG1 VAL 57 3HG1 VAL 57 8.002 -8.675 1.691 416 1HG2 VAL 57 1HG2 VAL 57 5.632 -9.506 1.043 417 2HG2 VAL 57 2HG2 VAL 57 4.209 -8.565 1.466 418 3HG2 VAL 57 3HG2 VAL 57 5.309 -7.963 0.215 419 H ASP 58 H ASP 58 8.012 -8.687 4.970 420 HA ASP 58 HA ASP 58 9.255 -11.124 4.182 421 1HB ASP 58 1HB ASP 58 10.201 -9.189 5.458 422 2HB ASP 58 2HB ASP 58 9.240 -9.687 6.841 423 H GLU 59 H GLU 59 6.634 -10.349 6.317 424 HA GLU 59 HA GLU 59 6.404 -13.074 7.475 425 1HB GLU 59 1HB GLU 59 6.814 -11.234 8.934 426 2HB GLU 59 2HB GLU 59 5.493 -10.308 8.230 427 1HG GLU 59 1HG GLU 59 3.843 -11.785 9.214 428 2HG GLU 59 2HG GLU 59 5.132 -12.810 9.873 429 H ASN 60 H ASN 60 4.824 -10.827 5.271 430 HA ASN 60 HA ASN 60 2.381 -12.470 5.172 431 1HB ASN 60 1HB ASN 60 3.074 -9.559 4.689 432 2HB ASN 60 2HB ASN 60 1.708 -10.285 3.894 433 1HD2 ASN 60 1HD2 ASN 60 0.032 -11.380 5.247 434 2HD2 ASN 60 2HD2 ASN 60 -0.220 -10.773 6.881 435 HA PRO 61 HA PRO 61 4.423 -13.591 1.188 436 1HB PRO 61 1HB PRO 61 3.943 -16.301 1.270 437 2HB PRO 61 2HB PRO 61 5.392 -15.504 1.919 438 1HG PRO 61 1HG PRO 61 2.906 -16.412 3.407 439 2HG PRO 61 2HG PRO 61 4.615 -16.555 3.916 440 1HD PRO 61 1HD PRO 61 2.902 -14.581 4.823 441 2HD PRO 61 2HD PRO 61 4.661 -14.344 4.679 442 H GLU 62 H GLU 62 1.815 -15.912 1.809 443 HA GLU 62 HA GLU 62 -0.124 -16.399 0.864 444 1HB GLU 62 1HB GLU 62 -1.767 -15.110 1.880 445 2HB GLU 62 2HB GLU 62 -0.332 -14.954 2.886 446 1HG GLU 62 1HG GLU 62 0.119 -12.722 1.640 447 2HG GLU 62 2HG GLU 62 -1.501 -12.888 0.969 448 H THR 63 H THR 63 1.207 -13.863 -0.971 449 HA THR 63 HA THR 63 -0.128 -14.204 -3.350 450 HB THR 63 HB THR 63 -1.239 -12.013 -1.568 451 HG1 THR 63 1HG THR 63 -2.163 -14.211 -1.833 452 1HG2 THR 63 1HG2 THR 63 -2.555 -11.144 -3.493 453 2HG2 THR 63 2HG2 THR 63 -0.826 -10.837 -3.677 454 3HG2 THR 63 3HG2 THR 63 -1.594 -12.159 -4.591 455 H THR 64 H THR 64 1.813 -12.296 -1.193 456 HA THR 64 HA THR 64 3.034 -10.387 -2.665 457 HB THR 64 HB THR 64 4.110 -12.418 -0.690 458 HG1 THR 64 1HG THR 64 3.411 -10.982 0.770 459 1HG2 THR 64 1HG2 THR 64 6.049 -11.209 -0.227 460 2HG2 THR 64 2HG2 THR 64 6.065 -11.433 -1.963 461 3HG2 THR 64 3HG2 THR 64 5.590 -9.865 -1.288 462 H SER 65 H SER 65 4.204 -13.768 -2.448 463 HA SER 65 HA SER 65 6.209 -13.572 -4.416 464 1HB SER 65 1HB SER 65 5.988 -15.324 -2.657 465 2HB SER 65 2HB SER 65 4.607 -16.015 -3.519 466 HG SER 65 HG SER 65 6.603 -17.054 -4.021 467 H GLN 66 H GLN 66 2.779 -14.553 -4.684 468 HA GLN 66 HA GLN 66 2.784 -15.354 -7.374 469 1HB GLN 66 1HB GLN 66 1.032 -15.647 -5.429 470 2HB GLN 66 2HB GLN 66 0.403 -14.098 -5.972 471 1HG GLN 66 1HG GLN 66 -0.905 -15.776 -7.009 472 2HG GLN 66 2HG GLN 66 0.104 -15.089 -8.279 473 1HE2 GLN 66 1HE2 GLN 66 -0.872 -17.380 -9.091 474 2HE2 GLN 66 2HE2 GLN 66 0.255 -18.709 -8.848 475 H PHE 67 H PHE 67 2.575 -12.061 -5.983 476 HA PHE 67 HA PHE 67 2.135 -11.009 -8.739 477 1HB PHE 67 1HB PHE 67 0.580 -10.602 -6.562 478 2HB PHE 67 2HB PHE 67 1.676 -9.269 -6.367 479 HD1 PHE 67 1HD PHE 67 -1.079 -10.679 -8.303 480 HD2 PHE 67 2HD PHE 67 1.793 -7.460 -8.164 481 HE1 PHE 67 1HE PHE 67 -2.465 -9.358 -9.879 482 HE2 PHE 67 2HE PHE 67 0.402 -6.144 -9.703 483 HZ PHE 67 HZ PHE 67 -1.738 -7.081 -10.578 484 H GLY 68 H GLY 68 4.758 -11.800 -7.103 485 1HA GLY 68 1HA GLY 68 6.931 -11.198 -7.439 486 2HA GLY 68 2HA GLY 68 6.371 -9.941 -8.545 487 H ILE 69 H ILE 69 5.302 -9.986 -5.202 488 HA ILE 69 HA ILE 69 6.136 -7.230 -4.898 489 HB ILE 69 HB ILE 69 4.624 -9.132 -3.103 490 1HG1 ILE 69 1HG1 ILE 69 3.468 -9.016 -5.203 491 2HG1 ILE 69 2HG1 ILE 69 2.525 -8.181 -3.998 492 1HG2 ILE 69 1HG2 ILE 69 5.167 -7.102 -1.788 493 2HG2 ILE 69 2HG2 ILE 69 4.302 -6.126 -2.977 494 3HG2 ILE 69 3HG2 ILE 69 3.471 -7.392 -2.040 495 1HD1 ILE 69 1HD1 ILE 69 2.565 -6.978 -6.151 496 2HD1 ILE 69 2HD1 ILE 69 3.259 -5.996 -4.872 497 3HD1 ILE 69 3HD1 ILE 69 4.322 -6.799 -6.052 498 H MET 70 H MET 70 8.317 -8.531 -5.128 499 HA MET 70 HA MET 70 9.703 -8.510 -2.473 500 1HB MET 70 1HB MET 70 10.330 -10.182 -4.274 501 2HB MET 70 2HB MET 70 10.916 -8.828 -5.253 502 1HG MET 70 1HG MET 70 12.572 -8.280 -3.516 503 2HG MET 70 2HG MET 70 11.892 -9.518 -2.450 504 1HE MET 70 1HE MET 70 15.402 -10.981 -3.266 505 2HE MET 70 2HE MET 70 14.951 -9.284 -2.982 506 3HE MET 70 3HE MET 70 14.229 -10.577 -1.992 507 H SER 71 H SER 71 8.447 -6.343 -4.748 508 HA SER 71 HA SER 71 10.654 -4.657 -5.276 509 1HB SER 71 1HB SER 71 8.755 -3.359 -6.417 510 2HB SER 71 2HB SER 71 8.927 -5.052 -6.895 511 HG SER 71 HG SER 71 7.046 -4.001 -5.000 512 H ILE 72 H ILE 72 9.777 -4.850 -2.393 513 HA ILE 72 HA ILE 72 8.261 -2.662 -1.723 514 HB ILE 72 HB ILE 72 8.886 -3.020 0.618 515 1HG1 ILE 72 1HG1 ILE 72 10.828 -5.096 -0.494 516 2HG1 ILE 72 2HG1 ILE 72 11.226 -3.625 0.406 517 1HG2 ILE 72 1HG2 ILE 72 8.249 -5.614 -0.826 518 2HG2 ILE 72 2HG2 ILE 72 7.689 -5.040 0.770 519 3HG2 ILE 72 3HG2 ILE 72 7.109 -4.261 -0.694 520 1HD1 ILE 72 1HD1 ILE 72 9.742 -4.589 2.296 521 2HD1 ILE 72 2HD1 ILE 72 9.894 -6.131 1.416 522 3HD1 ILE 72 3HD1 ILE 72 11.335 -5.305 2.019 523 HA PRO 73 HA PRO 73 7.969 -1.055 0.132 524 1HB PRO 73 1HB PRO 73 7.334 1.552 -0.187 525 2HB PRO 73 2HB PRO 73 8.481 0.971 1.046 526 1HG PRO 73 1HG PRO 73 9.147 2.088 -1.706 527 2HG PRO 73 2HG PRO 73 9.872 2.552 -0.134 528 1HD PRO 73 1HD PRO 73 11.059 0.767 -1.801 529 2HD PRO 73 2HD PRO 73 11.116 0.546 -0.027 530 H THR 74 H THR 74 6.035 -1.562 -0.777 531 HA THR 74 HA THR 74 5.435 -0.672 -3.564 532 HB THR 74 HB THR 74 5.335 -3.493 -2.433 533 HG1 THR 74 1HG THR 74 7.190 -2.172 -3.660 534 1HG2 THR 74 1HG2 THR 74 3.340 -3.275 -3.825 535 2HG2 THR 74 2HG2 THR 74 4.274 -2.478 -5.097 536 3HG2 THR 74 3HG2 THR 74 4.581 -4.177 -4.712 537 H LEU 75 H LEU 75 3.314 -0.278 -4.033 538 HA LEU 75 HA LEU 75 1.332 -0.230 -1.802 539 1HB LEU 75 1HB LEU 75 2.778 1.852 -2.072 540 2HB LEU 75 2HB LEU 75 1.836 2.167 -3.519 541 HG LEU 75 HG LEU 75 0.520 1.523 -0.834 542 1HD1 LEU 75 1HD1 LEU 75 0.358 3.856 -0.419 543 2HD1 LEU 75 2HD1 LEU 75 2.051 3.431 -0.631 544 3HD1 LEU 75 3HD1 LEU 75 1.195 4.227 -1.976 545 1HD2 LEU 75 1HD2 LEU 75 -1.337 2.892 -1.885 546 2HD2 LEU 75 2HD2 LEU 75 -0.457 2.819 -3.421 547 3HD2 LEU 75 3HD2 LEU 75 -1.061 1.329 -2.654 548 H ILE 76 H ILE 76 -0.122 -1.695 -2.709 549 HA ILE 76 HA ILE 76 -0.796 -1.367 -5.599 550 HB ILE 76 HB ILE 76 -1.726 -3.628 -3.844 551 1HG1 ILE 76 1HG1 ILE 76 0.674 -3.627 -5.737 552 2HG1 ILE 76 2HG1 ILE 76 0.720 -3.838 -3.987 553 1HG2 ILE 76 1HG2 ILE 76 -2.359 -4.667 -5.953 554 2HG2 ILE 76 2HG2 ILE 76 -3.097 -3.088 -5.850 555 3HG2 ILE 76 3HG2 ILE 76 -1.661 -3.319 -6.872 556 1HD1 ILE 76 1HD1 ILE 76 0.915 -6.023 -4.857 557 2HD1 ILE 76 2HD1 ILE 76 -0.763 -5.919 -4.323 558 3HD1 ILE 76 3HD1 ILE 76 -0.357 -5.782 -6.055 559 H LEU 77 H LEU 77 -2.698 -0.556 -6.069 560 HA LEU 77 HA LEU 77 -4.538 0.352 -3.896 561 1HB LEU 77 1HB LEU 77 -3.556 1.920 -5.646 562 2HB LEU 77 2HB LEU 77 -4.495 1.055 -6.848 563 HG LEU 77 HG LEU 77 -5.406 2.875 -4.597 564 1HD1 LEU 77 1HD1 LEU 77 -4.654 3.636 -6.921 565 2HD1 LEU 77 2HD1 LEU 77 -6.104 2.861 -7.557 566 3HD1 LEU 77 3HD1 LEU 77 -6.234 4.211 -6.407 567 1HD2 LEU 77 1HD2 LEU 77 -7.105 1.223 -4.408 568 2HD2 LEU 77 2HD2 LEU 77 -7.787 2.463 -5.431 569 3HD2 LEU 77 3HD2 LEU 77 -7.188 0.965 -6.154 570 H PHE 78 H PHE 78 -6.348 -0.854 -3.680 571 HA PHE 78 HA PHE 78 -7.163 -2.648 -5.903 572 1HB PHE 78 1HB PHE 78 -7.411 -3.236 -2.948 573 2HB PHE 78 2HB PHE 78 -8.228 -4.126 -4.201 574 HD1 PHE 78 1HD PHE 78 -7.190 -5.953 -5.306 575 HD2 PHE 78 2HD PHE 78 -4.853 -3.330 -2.796 576 HE1 PHE 78 1HE PHE 78 -5.333 -7.605 -5.293 577 HE2 PHE 78 2HE PHE 78 -3.035 -5.020 -2.753 578 HZ PHE 78 HZ PHE 78 -3.263 -7.139 -4.019 579 H LYS 79 H LYS 79 -9.352 -2.714 -6.299 580 HA LYS 79 HA LYS 79 -11.254 -1.691 -4.417 581 1HB LYS 79 1HB LYS 79 -12.399 -0.086 -5.870 582 2HB LYS 79 2HB LYS 79 -10.767 0.437 -5.484 583 1HG LYS 79 1HG LYS 79 -10.097 -0.591 -7.798 584 2HG LYS 79 2HG LYS 79 -11.829 -0.649 -8.118 585 1HD LYS 79 1HD LYS 79 -10.968 1.350 -9.101 586 2HD LYS 79 2HD LYS 79 -11.907 1.864 -7.689 587 1HE LYS 79 1HE LYS 79 -9.911 2.245 -6.393 588 2HE LYS 79 2HE LYS 79 -8.926 1.336 -7.505 589 1HZ LYS 79 1HZ LYS 79 -10.076 4.050 -8.051 590 2HZ LYS 79 2HZ LYS 79 -8.502 3.660 -7.924 591 3HZ LYS 79 3HZ LYS 79 -9.316 3.185 -9.205 592 H GLY 80 H GLY 80 -13.464 -2.442 -5.105 593 1HA GLY 80 1HA GLY 80 -14.775 -4.182 -5.699 594 2HA GLY 80 2HA GLY 80 -14.200 -3.783 -7.311 595 H GLY 81 H GLY 81 -11.731 -5.149 -5.243 596 1HA GLY 81 1HA GLY 81 -11.148 -7.420 -4.863 597 2HA GLY 81 2HA GLY 81 -12.265 -7.934 -6.121 598 H GLU 82 H GLU 82 -10.228 -5.199 -6.912 599 HA GLU 82 HA GLU 82 -8.594 -6.906 -8.698 600 1HB GLU 82 1HB GLU 82 -10.596 -6.066 -9.853 601 2HB GLU 82 2HB GLU 82 -10.167 -4.405 -9.416 602 1HG GLU 82 1HG GLU 82 -8.027 -4.646 -10.707 603 2HG GLU 82 2HG GLU 82 -8.509 -6.284 -11.159 604 HA PRO 83 HA PRO 83 -5.484 -3.887 -7.211 605 1HB PRO 83 1HB PRO 83 -3.274 -4.970 -8.372 606 2HB PRO 83 2HB PRO 83 -4.083 -5.733 -6.976 607 1HG PRO 83 1HG PRO 83 -4.372 -6.457 -9.897 608 2HG PRO 83 2HG PRO 83 -4.121 -7.544 -8.494 609 1HD PRO 83 1HD PRO 83 -6.592 -7.001 -9.593 610 2HD PRO 83 2HD PRO 83 -6.365 -7.399 -7.864 611 H VAL 84 H VAL 84 -6.500 -2.132 -8.471 612 HA VAL 84 HA VAL 84 -6.451 -2.049 -11.296 613 HB VAL 84 HB VAL 84 -6.842 0.428 -10.859 614 1HG1 VAL 84 1HG1 VAL 84 -8.667 -1.160 -11.336 615 2HG1 VAL 84 2HG1 VAL 84 -8.775 -1.578 -9.622 616 3HG1 VAL 84 3HG1 VAL 84 -9.189 0.066 -10.177 617 1HG2 VAL 84 1HG2 VAL 84 -7.424 1.262 -8.772 618 2HG2 VAL 84 2HG2 VAL 84 -7.324 -0.341 -7.992 619 3HG2 VAL 84 3HG2 VAL 84 -5.859 0.495 -8.548 620 H LYS 85 H LYS 85 -4.130 -0.842 -8.905 621 HA LYS 85 HA LYS 85 -2.120 -0.885 -10.952 622 1HB LYS 85 1HB LYS 85 -1.364 1.342 -11.036 623 2HB LYS 85 2HB LYS 85 -3.098 1.434 -11.280 624 1HG LYS 85 1HG LYS 85 -3.239 1.972 -8.724 625 2HG LYS 85 2HG LYS 85 -1.486 2.163 -8.805 626 1HD LYS 85 1HD LYS 85 -1.901 4.303 -9.342 627 2HD LYS 85 2HD LYS 85 -2.257 3.721 -10.959 628 1HE LYS 85 1HE LYS 85 -4.214 4.267 -8.693 629 2HE LYS 85 2HE LYS 85 -4.055 5.207 -10.155 630 1HZ LYS 85 1HZ LYS 85 -5.932 3.695 -10.041 631 2HZ LYS 85 2HZ LYS 85 -5.005 3.449 -11.397 632 3HZ LYS 85 3HZ LYS 85 -4.924 2.388 -10.127 633 H GLN 86 H GLN 86 0.060 -0.305 -10.081 634 HA GLN 86 HA GLN 86 0.395 -0.766 -7.191 635 1HB GLN 86 1HB GLN 86 0.598 -2.935 -8.073 636 2HB GLN 86 2HB GLN 86 1.455 -2.391 -9.520 637 1HG GLN 86 1HG GLN 86 3.461 -1.958 -8.324 638 2HG GLN 86 2HG GLN 86 2.702 -2.190 -6.754 639 1HE2 GLN 86 1HE2 GLN 86 5.075 -3.642 -7.515 640 2HE2 GLN 86 2HE2 GLN 86 4.586 -5.315 -7.715 641 H LEU 87 H LEU 87 1.897 0.522 -6.354 642 HA LEU 87 HA LEU 87 3.806 1.995 -8.108 643 1HB LEU 87 1HB LEU 87 2.503 2.600 -5.432 644 2HB LEU 87 2HB LEU 87 4.071 3.276 -5.796 645 HG LEU 87 HG LEU 87 2.358 4.883 -6.217 646 1HD1 LEU 87 1HD1 LEU 87 3.198 5.675 -8.242 647 2HD1 LEU 87 2HD1 LEU 87 4.447 4.529 -7.745 648 3HD1 LEU 87 3HD1 LEU 87 3.282 4.051 -8.978 649 1HD2 LEU 87 1HD2 LEU 87 0.558 4.652 -7.766 650 2HD2 LEU 87 2HD2 LEU 87 1.183 3.117 -8.399 651 3HD2 LEU 87 3HD2 LEU 87 0.531 3.197 -6.755 652 H ILE 88 H ILE 88 5.993 1.971 -7.409 653 HA ILE 88 HA ILE 88 6.799 0.112 -5.311 654 HB ILE 88 HB ILE 88 8.413 -0.969 -6.876 655 1HG1 ILE 88 1HG1 ILE 88 6.804 0.443 -9.061 656 2HG1 ILE 88 2HG1 ILE 88 8.533 0.578 -8.731 657 1HG2 ILE 88 1HG2 ILE 88 5.545 -1.439 -7.721 658 2HG2 ILE 88 2HG2 ILE 88 6.877 -2.623 -7.647 659 3HG2 ILE 88 3HG2 ILE 88 6.214 -1.946 -6.159 660 1HD1 ILE 88 1HD1 ILE 88 8.232 -0.814 -10.663 661 2HD1 ILE 88 2HD1 ILE 88 8.747 -1.877 -9.329 662 3HD1 ILE 88 3HD1 ILE 88 7.042 -1.830 -9.846 663 H GLY 89 H GLY 89 8.678 0.711 -4.420 664 1HA GLY 89 1HA GLY 89 10.649 1.881 -4.038 665 2HA GLY 89 2HA GLY 89 10.548 2.595 -5.657 666 H TYR 90 H TYR 90 11.393 4.191 -3.719 667 HA TYR 90 HA TYR 90 9.382 5.592 -2.214 668 1HB TYR 90 1HB TYR 90 11.635 5.278 -1.394 669 2HB TYR 90 2HB TYR 90 12.295 6.120 -2.786 670 HD1 TYR 90 1HD TYR 90 12.839 8.405 -2.566 671 HD2 TYR 90 2HD TYR 90 9.919 6.681 0.075 672 HE1 TYR 90 1HE TYR 90 12.750 10.525 -1.308 673 HE2 TYR 90 2HE TYR 90 9.802 8.816 1.347 674 HH TYR 90 HH TYR 90 11.773 11.668 0.490 675 H GLN 91 H GLN 91 7.978 5.963 -4.213 676 HA GLN 91 HA GLN 91 8.678 8.359 -5.738 677 1HB GLN 91 1HB GLN 91 5.813 7.478 -5.286 678 2HB GLN 91 2HB GLN 91 6.514 8.371 -6.597 679 1HG GLN 91 1HG GLN 91 7.142 5.435 -6.172 680 2HG GLN 91 2HG GLN 91 5.838 6.066 -7.166 681 1HE2 GLN 91 1HE2 GLN 91 6.275 7.192 -9.160 682 2HE2 GLN 91 2HE2 GLN 91 7.900 7.053 -9.857 683 HA PRO 92 HA PRO 92 7.657 10.992 -2.213 684 1HB PRO 92 1HB PRO 92 7.540 13.460 -3.399 685 2HB PRO 92 2HB PRO 92 9.075 12.571 -3.157 686 1HG PRO 92 1HG PRO 92 7.363 12.685 -5.658 687 2HG PRO 92 2HG PRO 92 9.133 12.936 -5.518 688 1HD PRO 92 1HD PRO 92 8.064 10.530 -6.251 689 2HD PRO 92 2HD PRO 92 9.535 10.626 -5.234 690 H LYS 93 H LYS 93 5.856 12.531 -1.513 691 HA LYS 93 HA LYS 93 3.380 11.415 -1.869 692 1HB LYS 93 1HB LYS 93 4.453 14.065 -0.879 693 2HB LYS 93 2HB LYS 93 2.735 13.912 -1.081 694 1HG LYS 93 1HG LYS 93 4.310 11.927 0.600 695 2HG LYS 93 2HG LYS 93 3.742 13.462 1.230 696 1HD LYS 93 1HD LYS 93 2.145 11.827 1.885 697 2HD LYS 93 2HD LYS 93 1.391 12.869 0.683 698 1HE LYS 93 1HE LYS 93 0.739 10.573 0.393 699 2HE LYS 93 2HE LYS 93 1.631 11.121 -1.016 700 1HZ LYS 93 1HZ LYS 93 3.541 9.927 -0.269 701 2HZ LYS 93 2HZ LYS 93 2.900 9.635 1.209 702 3HZ LYS 93 3HZ LYS 93 2.263 8.889 -0.122 703 H GLU 94 H GLU 94 4.572 14.367 -3.467 704 HA GLU 94 HA GLU 94 2.357 15.061 -4.963 705 1HB GLU 94 1HB GLU 94 4.463 16.332 -4.664 706 2HB GLU 94 2HB GLU 94 5.325 15.166 -5.670 707 1HG GLU 94 1HG GLU 94 3.925 15.836 -7.625 708 2HG GLU 94 2HG GLU 94 3.073 17.002 -6.598 709 H GLN 95 H GLN 95 4.533 12.289 -5.618 710 HA GLN 95 HA GLN 95 3.566 11.999 -8.376 711 1HB GLN 95 1HB GLN 95 6.010 11.592 -7.316 712 2HB GLN 95 2HB GLN 95 5.321 10.087 -6.793 713 1HG GLN 95 1HG GLN 95 5.801 11.060 -9.619 714 2HG GLN 95 2HG GLN 95 6.577 9.723 -8.783 715 1HE2 GLN 95 1HE2 GLN 95 3.623 10.748 -10.509 716 2HE2 GLN 95 2HE2 GLN 95 3.048 9.110 -10.767 717 H LEU 96 H LEU 96 3.610 10.429 -5.193 718 HA LEU 96 HA LEU 96 2.158 8.118 -5.832 719 1HB LEU 96 1HB LEU 96 3.649 8.767 -3.882 720 2HB LEU 96 2HB LEU 96 2.207 9.440 -3.148 721 HG LEU 96 HG LEU 96 2.319 6.565 -4.168 722 1HD1 LEU 96 1HD1 LEU 96 2.924 5.812 -1.965 723 2HD1 LEU 96 2HD1 LEU 96 4.136 6.991 -2.497 724 3HD1 LEU 96 3HD1 LEU 96 2.900 7.458 -1.318 725 1HD2 LEU 96 1HD2 LEU 96 0.529 6.264 -2.426 726 2HD2 LEU 96 2HD2 LEU 96 0.559 8.014 -2.133 727 3HD2 LEU 96 3HD2 LEU 96 0.049 7.367 -3.704 728 H GLU 97 H GLU 97 0.941 11.188 -4.233 729 HA GLU 97 HA GLU 97 -1.772 10.516 -4.109 730 1HB GLU 97 1HB GLU 97 -0.256 13.107 -4.466 731 2HB GLU 97 2HB GLU 97 -1.926 13.018 -4.030 732 1HG GLU 97 1HG GLU 97 0.227 11.752 -2.305 733 2HG GLU 97 2HG GLU 97 -0.167 13.461 -2.196 734 H ALA 98 H ALA 98 0.317 11.670 -6.797 735 HA ALA 98 HA ALA 98 -2.014 12.430 -8.427 736 1HB ALA 98 1HB ALA 98 0.929 12.116 -9.187 737 2HB ALA 98 2HB ALA 98 -0.353 12.760 -10.232 738 3HB ALA 98 3HB ALA 98 0.102 13.628 -8.755 739 H GLN 99 H GLN 99 0.399 9.778 -8.422 740 HA GLN 99 HA GLN 99 -0.703 8.334 -10.595 741 1HB GLN 99 1HB GLN 99 1.559 8.072 -9.225 742 2HB GLN 99 2HB GLN 99 0.616 6.985 -8.216 743 1HG GLN 99 1HG GLN 99 1.575 5.544 -9.799 744 2HG GLN 99 2HG GLN 99 -0.012 5.816 -10.493 745 1HE2 GLN 99 1HE2 GLN 99 3.455 7.076 -10.590 746 2HE2 GLN 99 2HE2 GLN 99 3.336 7.365 -12.326 747 H LEU 100 H LEU 100 -1.446 8.190 -7.099 748 HA LEU 100 HA LEU 100 -3.454 6.084 -7.435 749 1HB LEU 100 1HB LEU 100 -1.750 7.041 -5.341 750 2HB LEU 100 2HB LEU 100 -3.386 7.333 -4.834 751 HG LEU 100 HG LEU 100 -3.865 4.899 -5.392 752 1HD1 LEU 100 1HD1 LEU 100 -0.809 4.849 -5.555 753 2HD1 LEU 100 2HD1 LEU 100 -1.838 3.409 -5.517 754 3HD1 LEU 100 3HD1 LEU 100 -1.913 4.506 -6.901 755 1HD2 LEU 100 1HD2 LEU 100 -2.842 4.020 -3.369 756 2HD2 LEU 100 2HD2 LEU 100 -1.758 5.428 -3.277 757 3HD2 LEU 100 3HD2 LEU 100 -3.527 5.623 -3.097 758 H ALA 101 H ALA 101 -3.641 9.362 -8.120 759 HA ALA 101 HA ALA 101 -5.779 10.362 -6.756 760 1HB ALA 101 1HB ALA 101 -5.151 10.743 -9.707 761 2HB ALA 101 2HB ALA 101 -6.171 11.800 -8.707 762 3HB ALA 101 3HB ALA 101 -4.444 11.647 -8.344 763 H ASP 102 H ASP 102 -6.028 7.822 -9.250 764 HA ASP 102 HA ASP 102 -8.846 8.202 -9.719 765 1HB ASP 102 1HB ASP 102 -8.669 6.568 -11.241 766 2HB ASP 102 2HB ASP 102 -6.932 6.703 -11.001 767 H VAL 103 H VAL 103 -7.376 7.245 -6.841 768 HA VAL 103 HA VAL 103 -10.181 6.684 -6.076 769 HB VAL 103 HB VAL 103 -8.382 4.648 -6.050 770 1HG1 VAL 103 1HG1 VAL 103 -7.018 5.550 -4.214 771 2HG1 VAL 103 2HG1 VAL 103 -8.438 5.536 -3.145 772 3HG1 VAL 103 3HG1 VAL 103 -7.803 4.022 -3.778 773 1HG2 VAL 103 1HG2 VAL 103 -10.884 5.097 -4.446 774 2HG2 VAL 103 2HG2 VAL 103 -10.735 4.437 -6.058 775 3HG2 VAL 103 3HG2 VAL 103 -10.106 3.502 -4.691 776 H LEU 104 H LEU 104 -7.919 8.994 -5.834 777 HA LEU 104 HA LEU 104 -8.856 9.842 -3.154 778 1HB LEU 104 1HB LEU 104 -6.495 10.548 -4.922 779 2HB LEU 104 2HB LEU 104 -7.006 11.586 -3.708 780 HG LEU 104 HG LEU 104 -5.314 10.526 -2.612 781 1HD1 LEU 104 1HD1 LEU 104 -6.057 8.838 -1.045 782 2HD1 LEU 104 2HD1 LEU 104 -7.327 10.056 -1.277 783 3HD1 LEU 104 3HD1 LEU 104 -7.470 8.463 -2.053 784 1HD2 LEU 104 1HD2 LEU 104 -5.993 7.900 -3.978 785 2HD2 LEU 104 2HD2 LEU 104 -4.727 9.064 -4.452 786 3HD2 LEU 104 3HD2 LEU 104 -4.609 8.214 -2.904 787 H GLN 105 H GLN 105 -9.339 10.253 -6.531 788 HA GLN 105 HA GLN 105 -10.394 12.912 -6.603 789 1HB GLN 105 2HB GLN 105 -9.601 11.474 -8.572 790 2HB GLN 105 3HB GLN 105 -11.031 10.505 -8.291 791 1HG GLN 105 2HG GLN 105 -11.576 11.938 -10.081 792 2HG GLN 105 3HG GLN 105 -12.437 12.599 -8.701 793 1HE2 GLN 105 1HE2 GLN 105 -9.222 13.507 -8.184 794 2HE2 GLN 105 2HE2 GLN 105 -9.275 15.047 -9.046 Start of MODEL 18 1 1H ALA 1 H ALA 1 -9.824 5.491 8.128 2 2H ALA 1 2HN ALA 1 -11.203 5.842 8.922 3 3H ALA 1 3HN ALA 1 -10.073 4.885 9.654 4 HA ALA 1 HA ALA 1 -11.908 3.563 8.883 5 1HB ALA 1 1HB ALA 1 -12.468 3.519 6.497 6 2HB ALA 1 2HB ALA 1 -12.595 5.171 7.116 7 3HB ALA 1 3HB ALA 1 -11.179 4.688 6.147 8 H THR 2 H THR 2 -8.944 3.033 9.554 9 HA THR 2 HA THR 2 -8.645 0.686 7.957 10 HB THR 2 HB THR 2 -7.795 2.723 6.572 11 HG1 THR 2 1HG THR 2 -7.493 0.722 5.918 12 1HG2 THR 2 1HG2 THR 2 -5.587 3.492 6.879 13 2HG2 THR 2 2HG2 THR 2 -6.434 3.758 8.407 14 3HG2 THR 2 3HG2 THR 2 -5.293 2.399 8.241 15 H MET 3 H MET 3 -6.283 -0.229 8.490 16 HA MET 3 HA MET 3 -5.488 0.169 11.261 17 1HB MET 3 1HB MET 3 -6.759 -2.434 10.261 18 2HB MET 3 2HB MET 3 -5.815 -2.295 11.744 19 1HG MET 3 1HG MET 3 -7.450 -0.733 12.694 20 2HG MET 3 2HG MET 3 -8.392 -0.788 11.204 21 1HE MET 3 1HE MET 3 -8.064 -4.350 14.159 22 2HE MET 3 2HE MET 3 -6.699 -3.914 13.114 23 3HE MET 3 3HE MET 3 -7.244 -2.789 14.386 24 H THR 4 H THR 4 -3.585 -1.393 11.702 25 HA THR 4 HA THR 4 -1.810 -1.915 9.484 26 HB THR 4 HB THR 4 -1.938 -3.080 12.271 27 HG1 THR 4 1HG THR 4 -0.517 -1.436 12.802 28 1HG2 THR 4 1HG2 THR 4 0.513 -3.418 12.024 29 2HG2 THR 4 2HG2 THR 4 -0.394 -4.369 10.845 30 3HG2 THR 4 3HG2 THR 4 0.412 -2.869 10.338 31 H LEU 5 H LEU 5 -1.434 -3.989 8.521 32 HA LEU 5 HA LEU 5 -3.794 -5.820 8.642 33 1HB LEU 5 1HB LEU 5 -3.053 -4.165 6.589 34 2HB LEU 5 2HB LEU 5 -2.028 -5.525 6.256 35 HG LEU 5 HG LEU 5 -4.088 -6.999 6.184 36 1HD1 LEU 5 1HD1 LEU 5 -5.534 -5.364 7.515 37 2HD1 LEU 5 2HD1 LEU 5 -5.538 -4.322 6.085 38 3HD1 LEU 5 3HD1 LEU 5 -6.248 -5.926 6.001 39 1HD2 LEU 5 1HD2 LEU 5 -3.645 -4.677 4.264 40 2HD2 LEU 5 2HD2 LEU 5 -3.236 -6.390 4.049 41 3HD2 LEU 5 3HD2 LEU 5 -4.919 -5.860 3.970 42 H THR 6 H THR 6 -3.313 -8.122 7.973 43 HA THR 6 HA THR 6 -0.471 -8.848 8.152 44 HB THR 6 HB THR 6 -0.980 -10.827 9.486 45 HG1 THR 6 1HG THR 6 -2.876 -10.999 10.558 46 1HG2 THR 6 1HG2 THR 6 -1.796 -8.278 10.942 47 2HG2 THR 6 2HG2 THR 6 -1.134 -9.761 11.663 48 3HG2 THR 6 3HG2 THR 6 -0.125 -8.774 10.594 49 H ASP 7 H ASP 7 -2.856 -11.194 8.027 50 HA ASP 7 HA ASP 7 -2.084 -11.893 5.204 51 1HB ASP 7 1HB ASP 7 -2.242 -13.571 7.742 52 2HB ASP 7 2HB ASP 7 -2.031 -14.246 6.115 53 H ALA 8 H ALA 8 -4.258 -13.410 7.576 54 HA ALA 8 HA ALA 8 -6.503 -13.909 5.958 55 1HB ALA 8 1HB ALA 8 -6.320 -12.954 8.865 56 2HB ALA 8 2HB ALA 8 -7.740 -13.719 8.127 57 3HB ALA 8 3HB ALA 8 -6.228 -14.647 8.325 58 H ASN 9 H ASN 9 -5.377 -10.969 7.531 59 HA ASN 9 HA ASN 9 -7.757 -9.385 7.086 60 1HB ASN 9 1HB ASN 9 -4.933 -8.735 7.900 61 2HB ASN 9 2HB ASN 9 -6.242 -7.558 7.816 62 1HD2 ASN 9 1HD2 ASN 9 -4.605 -9.610 10.019 63 2HD2 ASN 9 2HD2 ASN 9 -5.924 -9.610 11.190 64 H PHE 10 H PHE 10 -4.884 -10.248 5.223 65 HA PHE 10 HA PHE 10 -4.850 -7.940 3.494 66 1HB PHE 10 1HB PHE 10 -2.974 -9.607 3.872 67 2HB PHE 10 2HB PHE 10 -3.826 -10.710 2.814 68 HD1 PHE 10 1HD PHE 10 -4.440 -9.749 0.367 69 HD2 PHE 10 2HD PHE 10 -1.346 -8.191 2.954 70 HE1 PHE 10 1HE PHE 10 -3.406 -8.601 -1.539 71 HE2 PHE 10 2HE PHE 10 -0.320 -7.094 1.048 72 HZ PHE 10 HZ PHE 10 -1.317 -7.275 -1.222 73 H GLN 11 H GLN 11 -5.907 -11.311 2.814 74 HA GLN 11 HA GLN 11 -7.244 -10.528 0.450 75 1HB GLN 11 1HB GLN 11 -6.436 -12.877 1.292 76 2HB GLN 11 2HB GLN 11 -8.068 -13.013 1.964 77 1HG GLN 11 1HG GLN 11 -9.010 -12.564 -0.307 78 2HG GLN 11 2HG GLN 11 -7.374 -12.371 -0.951 79 1HE2 GLN 11 1HE2 GLN 11 -5.850 -14.331 -0.806 80 2HE2 GLN 11 2HE2 GLN 11 -6.640 -15.896 -0.934 81 H GLN 12 H GLN 12 -8.454 -10.820 3.830 82 HA GLN 12 HA GLN 12 -11.190 -10.312 3.066 83 1HB GLN 12 1HB GLN 12 -10.313 -11.612 5.075 84 2HB GLN 12 2HB GLN 12 -9.961 -10.066 5.841 85 1HG GLN 12 1HG GLN 12 -12.743 -10.251 4.801 86 2HG GLN 12 2HG GLN 12 -12.345 -11.555 5.907 87 1HE2 GLN 12 1HE2 GLN 12 -12.172 -7.964 5.645 88 2HE2 GLN 12 2HE2 GLN 12 -12.457 -7.700 7.380 89 H ALA 13 H ALA 13 -8.506 -8.090 3.303 90 HA ALA 13 HA ALA 13 -10.319 -5.839 3.714 91 1HB ALA 13 1HB ALA 13 -8.269 -4.463 3.499 92 2HB ALA 13 2HB ALA 13 -8.184 -5.651 4.809 93 3HB ALA 13 3HB ALA 13 -7.316 -5.946 3.279 94 H ILE 14 H ILE 14 -8.119 -7.181 1.178 95 HA ILE 14 HA ILE 14 -8.648 -5.167 -0.730 96 HB ILE 14 HB ILE 14 -7.688 -6.684 -2.390 97 1HG1 ILE 14 1HG1 ILE 14 -7.816 -8.784 -0.278 98 2HG1 ILE 14 2HG1 ILE 14 -8.785 -8.754 -1.738 99 1HG2 ILE 14 1HG2 ILE 14 -5.490 -6.838 -1.390 100 2HG2 ILE 14 2HG2 ILE 14 -6.276 -5.386 -0.772 101 3HG2 ILE 14 3HG2 ILE 14 -6.162 -6.830 0.243 102 1HD1 ILE 14 1HD1 ILE 14 -5.775 -9.141 -1.593 103 2HD1 ILE 14 2HD1 ILE 14 -7.000 -10.301 -2.124 104 3HD1 ILE 14 3HD1 ILE 14 -6.672 -8.863 -3.106 105 H GLN 15 H GLN 15 -10.706 -7.737 0.180 106 HA GLN 15 HA GLN 15 -12.438 -7.836 -2.087 107 1HB GLN 15 1HB GLN 15 -13.962 -8.976 -0.654 108 2HB GLN 15 2HB GLN 15 -12.332 -9.503 -0.277 109 1HG GLN 15 1HG GLN 15 -13.279 -9.283 1.830 110 2HG GLN 15 2HG GLN 15 -12.377 -7.781 1.644 111 1HE2 GLN 15 1HE2 GLN 15 -15.734 -8.973 0.769 112 2HE2 GLN 15 2HE2 GLN 15 -16.499 -7.536 1.435 113 H GLY 16 H GLY 16 -11.963 -5.231 0.225 114 1HA GLY 16 1HA GLY 16 -14.588 -4.238 0.382 115 2HA GLY 16 2HA GLY 16 -13.084 -3.336 0.665 116 H ASP 17 H ASP 17 -15.635 -2.634 -0.724 117 HA ASP 17 HA ASP 17 -15.246 -2.578 -3.550 118 1HB ASP 17 1HB ASP 17 -17.419 -2.610 -2.319 119 2HB ASP 17 2HB ASP 17 -17.130 -0.947 -1.801 120 H GLY 18 H GLY 18 -14.196 -0.358 -1.090 121 1HA GLY 18 1HA GLY 18 -13.953 1.941 -2.947 122 2HA GLY 18 2HA GLY 18 -13.716 1.955 -1.192 123 HA PRO 19 HA PRO 19 -9.456 1.953 -3.230 124 1HB PRO 19 1HB PRO 19 -8.562 4.213 -1.799 125 2HB PRO 19 2HB PRO 19 -9.161 4.190 -3.452 126 1HG PRO 19 1HG PRO 19 -10.667 4.839 -0.936 127 2HG PRO 19 2HG PRO 19 -10.761 5.660 -2.520 128 1HD PRO 19 1HD PRO 19 -12.635 3.900 -1.651 129 2HD PRO 19 2HD PRO 19 -12.167 3.972 -3.376 130 H VAL 20 H VAL 20 -9.302 -0.012 -2.103 131 HA VAL 20 HA VAL 20 -8.164 0.046 0.634 132 HB VAL 20 HB VAL 20 -8.570 -2.168 -1.445 133 1HG1 VAL 20 1HG1 VAL 20 -6.588 -2.767 -0.119 134 2HG1 VAL 20 2HG1 VAL 20 -7.355 -2.206 1.384 135 3HG1 VAL 20 3HG1 VAL 20 -7.934 -3.667 0.588 136 1HG2 VAL 20 1HG2 VAL 20 -10.255 -3.029 0.007 137 2HG2 VAL 20 2HG2 VAL 20 -9.899 -1.835 1.272 138 3HG2 VAL 20 3HG2 VAL 20 -10.639 -1.332 -0.267 139 H LEU 21 H LEU 21 -5.939 0.051 0.910 140 HA LEU 21 HA LEU 21 -4.322 -0.841 -1.317 141 1HB LEU 21 1HB LEU 21 -2.824 1.085 -1.481 142 2HB LEU 21 2HB LEU 21 -4.430 1.463 -2.061 143 HG LEU 21 HG LEU 21 -3.790 2.104 0.777 144 1HD1 LEU 21 1HD1 LEU 21 -1.810 2.892 -0.385 145 2HD1 LEU 21 2HD1 LEU 21 -2.824 3.822 -1.526 146 3HD1 LEU 21 3HD1 LEU 21 -2.775 4.246 0.201 147 1HD2 LEU 21 1HD2 LEU 21 -5.207 4.103 0.299 148 2HD2 LEU 21 2HD2 LEU 21 -5.391 3.562 -1.380 149 3HD2 LEU 21 3HD2 LEU 21 -6.069 2.606 -0.047 150 H VAL 22 H VAL 22 -2.053 -1.041 -0.773 151 HA VAL 22 HA VAL 22 -1.711 -1.628 2.144 152 HB VAL 22 HB VAL 22 -1.028 -3.238 -0.343 153 1HG1 VAL 22 1HG1 VAL 22 0.964 -3.339 1.042 154 2HG1 VAL 22 2HG1 VAL 22 0.001 -3.626 2.495 155 3HG1 VAL 22 3HG1 VAL 22 0.097 -4.851 1.195 156 1HG2 VAL 22 1HG2 VAL 22 -3.303 -3.554 0.591 157 2HG2 VAL 22 2HG2 VAL 22 -2.317 -5.000 0.840 158 3HG2 VAL 22 3HG2 VAL 22 -2.606 -3.882 2.190 159 H ASP 23 H ASP 23 -0.040 -0.700 3.060 160 HA ASP 23 HA ASP 23 2.289 0.306 1.462 161 1HB ASP 23 1HB ASP 23 1.569 1.549 3.566 162 2HB ASP 23 2HB ASP 23 1.926 0.130 4.473 163 H PHE 24 H PHE 24 3.671 -1.250 0.801 164 HA PHE 24 HA PHE 24 4.118 -3.662 2.497 165 1HB PHE 24 1HB PHE 24 4.526 -3.053 -0.406 166 2HB PHE 24 2HB PHE 24 5.435 -4.332 0.349 167 HD1 PHE 24 1HD PHE 24 2.458 -3.660 -1.425 168 HD2 PHE 24 2HD PHE 24 4.098 -6.029 1.788 169 HE1 PHE 24 1HE PHE 24 0.873 -5.501 -1.948 170 HE2 PHE 24 2HE PHE 24 2.631 -7.904 1.161 171 HZ PHE 24 HZ PHE 24 1.130 -7.697 -0.774 172 H TRP 25 H TRP 25 5.602 -3.231 3.849 173 HA TRP 25 HA TRP 25 8.157 -2.021 2.972 174 1HB TRP 25 1HB TRP 25 8.384 -0.775 4.971 175 2HB TRP 25 2HB TRP 25 6.782 -0.395 4.370 176 HD1 TRP 25 HD TRP 25 4.665 -1.579 5.793 177 HE1 TRP 25 1HE TRP 25 4.531 -2.451 8.178 178 HE3 TRP 25 3HE TRP 25 9.634 -1.376 7.017 179 HZ2 TRP 25 2HZ TRP 25 6.397 -3.206 10.323 180 HZ3 TRP 25 3HZ TRP 25 10.415 -2.128 9.243 181 HH2 TRP 25 HH TRP 25 8.804 -3.077 10.886 182 H ALA 26 H ALA 26 9.827 -2.765 4.998 183 HA ALA 26 HA ALA 26 9.197 -5.401 6.013 184 1HB ALA 26 1HB ALA 26 10.871 -6.608 4.880 185 2HB ALA 26 2HB ALA 26 10.184 -5.625 3.569 186 3HB ALA 26 3HB ALA 26 11.708 -5.162 4.318 187 H ALA 27 H ALA 27 10.963 -6.141 7.453 188 HA ALA 27 HA ALA 27 11.806 -4.002 9.116 189 1HB ALA 27 1HB ALA 27 11.160 -6.208 9.941 190 2HB ALA 27 2HB ALA 27 12.582 -6.941 9.159 191 3HB ALA 27 3HB ALA 27 12.788 -5.778 10.492 192 H TRP 28 H TRP 28 13.422 -5.114 6.295 193 HA TRP 28 HA TRP 28 16.016 -4.044 7.337 194 1HB TRP 28 1HB TRP 28 17.159 -5.782 6.520 195 2HB TRP 28 2HB TRP 28 15.647 -6.624 6.793 196 HD1 TRP 28 HD TRP 28 18.051 -5.487 4.157 197 HE1 TRP 28 1HE TRP 28 17.345 -6.203 1.806 198 HE3 TRP 28 3HE TRP 28 13.437 -7.489 5.244 199 HZ2 TRP 28 2HZ TRP 28 14.948 -7.143 0.506 200 HZ3 TRP 28 3HZ TRP 28 11.952 -8.215 3.396 201 HH2 TRP 28 HH TRP 28 12.675 -7.950 1.036 202 H CYS 29 H CYS 29 13.661 -3.525 4.886 203 HA CYS 29 HA CYS 29 15.308 -3.271 2.622 204 1HB CYS 29 1HB CYS 29 13.196 -2.451 1.570 205 2HB CYS 29 2HB CYS 29 13.182 -4.027 2.341 206 H GLY 30 H GLY 30 16.377 -1.396 4.454 207 1HA GLY 30 1HA GLY 30 16.958 0.820 4.831 208 2HA GLY 30 2HA GLY 30 17.355 0.673 3.131 209 HA PRO 31 HA PRO 31 14.912 4.342 2.610 210 1HB PRO 31 1HB PRO 31 14.063 4.063 -0.040 211 2HB PRO 31 2HB PRO 31 15.673 4.645 0.496 212 1HG PRO 31 1HG PRO 31 14.864 1.868 -0.380 213 2HG PRO 31 2HG PRO 31 16.337 2.794 -0.821 214 1HD PRO 31 1HD PRO 31 16.408 0.892 1.090 215 2HD PRO 31 2HD PRO 31 17.310 2.423 1.311 216 H CYS 32 H CYS 32 13.320 1.242 2.146 217 HA CYS 32 HA CYS 32 10.645 2.209 1.937 218 1HB CYS 32 1HB CYS 32 9.943 0.144 2.995 219 2HB CYS 32 2HB CYS 32 11.233 -0.204 1.850 220 H ARG 33 H ARG 33 12.858 2.128 4.721 221 HA ARG 33 HA ARG 33 10.896 2.816 6.694 222 1HB ARG 33 1HB ARG 33 13.329 1.792 6.849 223 2HB ARG 33 2HB ARG 33 13.829 3.487 6.917 224 1HG ARG 33 1HG ARG 33 12.283 3.772 8.909 225 2HG ARG 33 2HG ARG 33 11.899 2.043 8.794 226 1HD ARG 33 1HD ARG 33 14.373 1.557 9.024 227 2HD ARG 33 2HD ARG 33 14.644 3.273 9.339 228 HE ARG 33 HE ARG 33 13.615 1.246 11.113 229 1HH1 ARG 33 2HH2 ARG 33 13.444 4.724 10.524 230 2HH1 ARG 33 1HH2 ARG 33 13.095 5.155 12.163 231 1HH2 ARG 33 2HH1 ARG 33 13.136 1.779 13.299 232 2HH2 ARG 33 1HH1 ARG 33 12.905 3.422 13.772 233 H MET 34 H MET 34 12.133 4.721 4.125 234 HA MET 34 HA MET 34 11.580 7.237 5.547 235 1HB MET 34 1HB MET 34 13.038 6.700 2.931 236 2HB MET 34 2HB MET 34 12.790 8.287 3.674 237 1HG MET 34 1HG MET 34 14.082 7.462 5.673 238 2HG MET 34 2HG MET 34 14.506 6.026 4.732 239 1HE MET 34 1HE MET 34 14.848 7.328 1.754 240 2HE MET 34 2HE MET 34 16.574 7.724 1.739 241 3HE MET 34 3HE MET 34 16.034 6.174 2.412 242 H MET 35 H MET 35 10.211 5.012 3.331 243 HA MET 35 HA MET 35 8.470 7.054 2.069 244 1HB MET 35 1HB MET 35 9.650 5.213 0.681 245 2HB MET 35 2HB MET 35 8.535 4.081 1.454 246 1HG MET 35 1HG MET 35 6.633 5.600 0.647 247 2HG MET 35 2HG MET 35 7.825 6.502 -0.257 248 1HE MET 35 1HE MET 35 5.947 4.641 -3.113 249 2HE MET 35 2HE MET 35 5.232 5.299 -1.622 250 3HE MET 35 3HE MET 35 6.504 6.205 -2.473 251 H ALA 36 H ALA 36 8.513 4.157 4.199 252 HA ALA 36 HA ALA 36 5.788 3.812 4.650 253 1HB ALA 36 1HB ALA 36 8.098 3.479 6.600 254 2HB ALA 36 2HB ALA 36 6.450 2.838 6.806 255 3HB ALA 36 3HB ALA 36 7.454 2.268 5.467 256 HA PRO 37 HA PRO 37 5.670 7.286 7.927 257 1HB PRO 37 1HB PRO 37 7.524 9.336 7.819 258 2HB PRO 37 2HB PRO 37 7.634 7.912 8.896 259 1HG PRO 37 1HG PRO 37 8.954 8.314 6.199 260 2HG PRO 37 2HG PRO 37 9.697 7.718 7.718 261 1HD PRO 37 1HD PRO 37 8.900 5.992 5.824 262 2HD PRO 37 2HD PRO 37 8.598 5.625 7.540 263 H VAL 38 H VAL 38 6.869 7.929 4.588 264 HA VAL 38 HA VAL 38 5.211 10.301 4.303 265 HB VAL 38 HB VAL 38 7.262 9.019 2.807 266 1HG1 VAL 38 1HG1 VAL 38 4.817 9.523 1.063 267 2HG1 VAL 38 2HG1 VAL 38 6.472 9.274 0.486 268 3HG1 VAL 38 3HG1 VAL 38 5.644 7.964 1.322 269 1HG2 VAL 38 1HG2 VAL 38 7.129 11.388 3.420 270 2HG2 VAL 38 2HG2 VAL 38 7.382 11.176 1.683 271 3HG2 VAL 38 3HG2 VAL 38 5.769 11.613 2.297 272 H LEU 39 H LEU 39 4.768 6.808 3.777 273 HA LEU 39 HA LEU 39 2.129 7.005 2.720 274 1HB LEU 39 1HB LEU 39 3.955 4.851 3.743 275 2HB LEU 39 2HB LEU 39 2.266 4.496 3.679 276 HG LEU 39 HG LEU 39 2.256 4.081 1.515 277 1HD1 LEU 39 1HD1 LEU 39 3.980 6.509 0.909 278 2HD1 LEU 39 2HD1 LEU 39 3.307 5.397 -0.294 279 3HD1 LEU 39 3HD1 LEU 39 2.215 6.361 0.689 280 1HD2 LEU 39 1HD2 LEU 39 5.271 4.388 1.732 281 2HD2 LEU 39 2HD2 LEU 39 4.345 2.962 2.163 282 3HD2 LEU 39 3HD2 LEU 39 4.410 3.467 0.474 283 H GLU 40 H GLU 40 3.440 6.739 6.042 284 HA GLU 40 HA GLU 40 0.841 6.448 7.233 285 1HB GLU 40 1HB GLU 40 3.133 6.007 8.331 286 2HB GLU 40 2HB GLU 40 3.276 7.752 8.517 287 1HG GLU 40 1HG GLU 40 2.470 6.997 10.572 288 2HG GLU 40 2HG GLU 40 1.027 7.655 9.799 289 H GLU 41 H GLU 41 2.866 9.312 6.456 290 HA GLU 41 HA GLU 41 0.936 11.259 7.286 291 1HB GLU 41 1HB GLU 41 3.289 11.730 6.898 292 2HB GLU 41 2HB GLU 41 3.139 11.372 5.184 293 1HG GLU 41 1HG GLU 41 1.468 13.582 6.446 294 2HG GLU 41 2HG GLU 41 3.180 13.849 6.052 295 H PHE 42 H PHE 42 1.388 9.577 4.127 296 HA PHE 42 HA PHE 42 -0.842 10.688 2.752 297 1HB PHE 42 1HB PHE 42 1.006 9.204 1.828 298 2HB PHE 42 2HB PHE 42 0.211 7.837 2.559 299 HD1 PHE 42 1HD PHE 42 0.246 10.118 -0.266 300 HD2 PHE 42 2HD PHE 42 -1.960 6.981 1.721 301 HE1 PHE 42 1HE PHE 42 -0.953 9.638 -2.356 302 HE2 PHE 42 2HE PHE 42 -3.158 6.501 -0.407 303 HZ PHE 42 HZ PHE 42 -2.627 7.830 -2.451 304 H ALA 43 H ALA 43 -0.740 7.861 4.991 305 HA ALA 43 HA ALA 43 -3.482 7.270 4.863 306 1HB ALA 43 1HB ALA 43 -3.131 6.037 6.938 307 2HB ALA 43 2HB ALA 43 -1.726 5.785 5.878 308 3HB ALA 43 3HB ALA 43 -1.621 6.891 7.258 309 H GLU 44 H GLU 44 -1.731 9.308 7.232 310 HA GLU 44 HA GLU 44 -3.947 10.139 8.733 311 1HB GLU 44 1HB GLU 44 -1.510 10.419 9.260 312 2HB GLU 44 2HB GLU 44 -1.435 11.749 8.093 313 1HG GLU 44 1HG GLU 44 -3.096 13.012 9.423 314 2HG GLU 44 2HG GLU 44 -3.256 11.648 10.539 315 H ALA 45 H ALA 45 -2.493 11.682 5.846 316 HA ALA 45 HA ALA 45 -4.356 13.821 5.643 317 1HB ALA 45 1HB ALA 45 -2.673 12.491 3.475 318 2HB ALA 45 2HB ALA 45 -3.397 14.115 3.386 319 3HB ALA 45 3HB ALA 45 -2.117 13.780 4.568 320 H HIS 46 H HIS 46 -4.935 10.492 4.949 321 HA HIS 46 HA HIS 46 -7.327 11.181 3.296 322 1HB HIS 46 1HB HIS 46 -5.467 8.964 2.729 323 2HB HIS 46 2HB HIS 46 -6.929 9.339 1.848 324 HD1 HIS 46 1HD HIS 46 -5.960 12.631 1.971 325 HD2 HIS 46 2HD HIS 46 -4.022 9.209 0.449 326 HE1 HIS 46 1HE HIS 46 -4.490 13.404 -0.051 327 HE2 HIS 46 2HE HIS 46 -3.381 11.349 -0.970 328 H ALA 47 H ALA 47 -6.739 10.293 6.188 329 HA ALA 47 HA ALA 47 -6.937 7.802 6.790 330 1HB ALA 47 1HB ALA 47 -7.823 8.437 8.996 331 2HB ALA 47 2HB ALA 47 -6.656 9.639 8.406 332 3HB ALA 47 3HB ALA 47 -8.403 9.978 8.336 333 H ASP 48 H ASP 48 -9.886 9.549 5.924 334 HA ASP 48 HA ASP 48 -11.408 6.995 6.166 335 1HB ASP 48 1HB ASP 48 -12.334 9.814 6.767 336 2HB ASP 48 2HB ASP 48 -13.385 8.392 6.722 337 H LYS 49 H LYS 49 -10.201 9.064 3.778 338 HA LYS 49 HA LYS 49 -12.482 8.575 1.960 339 1HB LYS 49 1HB LYS 49 -11.142 10.626 1.659 340 2HB LYS 49 2HB LYS 49 -9.686 9.662 1.369 341 1HG LYS 49 1HG LYS 49 -10.585 8.663 -0.618 342 2HG LYS 49 2HG LYS 49 -12.205 9.272 -0.308 343 1HD LYS 49 1HD LYS 49 -9.861 11.118 -0.953 344 2HD LYS 49 2HD LYS 49 -10.844 10.324 -2.179 345 1HE LYS 49 1HE LYS 49 -12.915 11.309 -1.005 346 2HE LYS 49 2HE LYS 49 -11.785 12.367 -0.133 347 1HZ LYS 49 1HZ LYS 49 -12.481 13.507 -2.126 348 2HZ LYS 49 2HZ LYS 49 -10.958 12.937 -2.483 349 3HZ LYS 49 3HZ LYS 49 -12.249 12.191 -3.065 350 H VAL 50 H VAL 50 -9.274 7.221 2.829 351 HA VAL 50 HA VAL 50 -9.850 4.940 1.004 352 HB VAL 50 HB VAL 50 -7.597 4.811 0.318 353 1HG1 VAL 50 1HG1 VAL 50 -8.977 6.575 -0.857 354 2HG1 VAL 50 2HG1 VAL 50 -8.173 7.793 0.149 355 3HG1 VAL 50 3HG1 VAL 50 -7.226 6.785 -0.967 356 1HG2 VAL 50 1HG2 VAL 50 -6.339 5.327 2.281 357 2HG2 VAL 50 2HG2 VAL 50 -5.836 6.473 1.036 358 3HG2 VAL 50 3HG2 VAL 50 -6.944 6.989 2.329 359 H THR 51 H THR 51 -8.605 2.916 1.656 360 HA THR 51 HA THR 51 -8.069 2.937 4.511 361 HB THR 51 HB THR 51 -10.228 1.952 4.112 362 HG1 THR 51 1HG THR 51 -9.648 1.175 5.859 363 1HG2 THR 51 1HG2 THR 51 -9.807 0.815 1.965 364 2HG2 THR 51 2HG2 THR 51 -8.783 -0.369 2.833 365 3HG2 THR 51 3HG2 THR 51 -10.512 -0.233 3.215 366 H VAL 52 H VAL 52 -6.010 3.287 4.381 367 HA VAL 52 HA VAL 52 -4.325 1.560 2.714 368 HB VAL 52 HB VAL 52 -3.911 3.635 2.271 369 1HG1 VAL 52 1HG1 VAL 52 -4.890 4.980 4.034 370 2HG1 VAL 52 2HG1 VAL 52 -3.602 4.472 5.143 371 3HG1 VAL 52 3HG1 VAL 52 -3.229 5.496 3.730 372 1HG2 VAL 52 1HG2 VAL 52 -1.861 2.311 2.521 373 2HG2 VAL 52 2HG2 VAL 52 -1.556 4.045 2.708 374 3HG2 VAL 52 3HG2 VAL 52 -1.628 3.008 4.142 375 H ALA 53 H ALA 53 -3.387 0.000 3.449 376 HA ALA 53 HA ALA 53 -3.422 -0.272 6.395 377 1HB ALA 53 1HB ALA 53 -5.377 -1.295 5.287 378 2HB ALA 53 2HB ALA 53 -4.289 -2.381 4.391 379 3HB ALA 53 3HB ALA 53 -4.388 -2.454 6.177 380 H LYS 54 H LYS 54 -1.380 -0.236 6.966 381 HA LYS 54 HA LYS 54 0.696 -1.209 5.237 382 1HB LYS 54 1HB LYS 54 2.299 -0.490 6.852 383 2HB LYS 54 2HB LYS 54 1.148 0.783 6.497 384 1HG LYS 54 1HG LYS 54 0.987 -0.989 8.955 385 2HG LYS 54 2HG LYS 54 1.879 0.538 8.849 386 1HD LYS 54 1HD LYS 54 -0.419 1.530 8.022 387 2HD LYS 54 2HD LYS 54 -1.105 0.075 8.761 388 1HE LYS 54 1HE LYS 54 -1.246 1.886 10.337 389 2HE LYS 54 2HE LYS 54 -0.052 0.719 10.939 390 1HZ LYS 54 1HZ LYS 54 0.682 3.160 11.012 391 2HZ LYS 54 2HZ LYS 54 1.684 2.208 10.092 392 3HZ LYS 54 3HZ LYS 54 0.565 3.243 9.464 393 H LEU 55 H LEU 55 1.992 -2.881 5.262 394 HA LEU 55 HA LEU 55 2.012 -4.655 7.591 395 1HB LEU 55 1HB LEU 55 1.319 -6.681 6.466 396 2HB LEU 55 2HB LEU 55 0.074 -5.484 6.455 397 HG LEU 55 HG LEU 55 1.465 -5.065 3.984 398 1HD1 LEU 55 1HD1 LEU 55 0.945 -8.012 4.551 399 2HD1 LEU 55 2HD1 LEU 55 1.296 -7.327 2.959 400 3HD1 LEU 55 3HD1 LEU 55 2.531 -7.269 4.228 401 1HD2 LEU 55 1HD2 LEU 55 -1.093 -6.588 4.585 402 2HD2 LEU 55 2HD2 LEU 55 -0.960 -4.814 4.372 403 3HD2 LEU 55 3HD2 LEU 55 -0.656 -5.900 3.019 404 H ASN 56 H ASN 56 3.399 -6.578 7.219 405 HA ASN 56 HA ASN 56 5.990 -5.594 6.225 406 1HB ASN 56 1HB ASN 56 5.816 -6.179 8.586 407 2HB ASN 56 2HB ASN 56 5.101 -7.749 8.195 408 1HD2 ASN 56 1HD2 ASN 56 6.716 -8.867 9.378 409 2HD2 ASN 56 2HD2 ASN 56 8.367 -8.985 8.739 410 H VAL 57 H VAL 57 6.543 -6.253 4.241 411 HA VAL 57 HA VAL 57 5.253 -8.357 2.836 412 HB VAL 57 HB VAL 57 6.503 -6.256 2.072 413 1HG1 VAL 57 1HG1 VAL 57 8.793 -6.581 1.254 414 2HG1 VAL 57 2HG1 VAL 57 8.748 -7.039 2.962 415 3HG1 VAL 57 3HG1 VAL 57 8.768 -8.280 1.700 416 1HG2 VAL 57 1HG2 VAL 57 6.618 -8.813 0.460 417 2HG2 VAL 57 2HG2 VAL 57 5.240 -7.728 0.621 418 3HG2 VAL 57 3HG2 VAL 57 6.708 -7.145 -0.168 419 H ASP 58 H ASP 58 7.955 -8.349 5.041 420 HA ASP 58 HA ASP 58 9.354 -10.646 4.041 421 1HB ASP 58 1HB ASP 58 9.901 -8.504 5.649 422 2HB ASP 58 2HB ASP 58 9.613 -9.710 6.881 423 H GLU 59 H GLU 59 6.519 -10.353 5.501 424 HA GLU 59 HA GLU 59 6.534 -12.913 7.051 425 1HB GLU 59 1HB GLU 59 6.745 -11.102 8.507 426 2HB GLU 59 2HB GLU 59 5.561 -10.130 7.614 427 1HG GLU 59 1HG GLU 59 3.727 -11.483 8.418 428 2HG GLU 59 2HG GLU 59 4.846 -12.585 9.226 429 H ASN 60 H ASN 60 4.548 -10.630 5.078 430 HA ASN 60 HA ASN 60 2.355 -12.605 5.110 431 1HB ASN 60 1HB ASN 60 1.466 -10.461 5.333 432 2HB ASN 60 2HB ASN 60 2.492 -9.761 4.092 433 1HD2 ASN 60 1HD2 ASN 60 -0.703 -10.372 4.543 434 2HD2 ASN 60 2HD2 ASN 60 -1.079 -10.804 2.860 435 HA PRO 61 HA PRO 61 3.691 -13.926 0.948 436 1HB PRO 61 1HB PRO 61 2.741 -16.451 0.959 437 2HB PRO 61 2HB PRO 61 4.189 -16.008 1.915 438 1HG PRO 61 1HG PRO 61 1.317 -16.231 2.895 439 2HG PRO 61 2HG PRO 61 2.786 -16.973 3.609 440 1HD PRO 61 1HD PRO 61 1.764 -14.584 4.512 441 2HD PRO 61 2HD PRO 61 3.505 -14.930 4.503 442 H GLU 62 H GLU 62 0.525 -13.716 2.461 443 HA GLU 62 HA GLU 62 -1.093 -14.854 0.446 444 1HB GLU 62 1HB GLU 62 -1.951 -14.664 2.634 445 2HB GLU 62 2HB GLU 62 -1.656 -12.931 2.716 446 1HG GLU 62 1HG GLU 62 -4.089 -13.710 2.386 447 2HG GLU 62 2HG GLU 62 -3.490 -12.383 1.392 448 H THR 63 H THR 63 -1.254 -14.207 -1.551 449 HA THR 63 HA THR 63 -1.587 -13.101 -3.449 450 HB THR 63 HB THR 63 -2.682 -10.990 -1.582 451 HG1 THR 63 1HG THR 63 -4.011 -12.818 -1.749 452 1HG2 THR 63 1HG2 THR 63 -1.955 -9.777 -3.616 453 2HG2 THR 63 2HG2 THR 63 -2.823 -10.970 -4.617 454 3HG2 THR 63 3HG2 THR 63 -3.719 -9.910 -3.522 455 H THR 64 H THR 64 0.290 -11.483 -1.084 456 HA THR 64 HA THR 64 2.036 -9.832 -2.497 457 HB THR 64 HB THR 64 2.574 -11.736 -0.177 458 HG1 THR 64 1HG THR 64 1.404 -10.436 0.922 459 1HG2 THR 64 1HG2 THR 64 4.208 -10.083 0.603 460 2HG2 THR 64 2HG2 THR 64 4.692 -10.689 -0.988 461 3HG2 THR 64 3HG2 THR 64 3.921 -9.089 -0.816 462 H SER 65 H SER 65 2.375 -13.371 -1.870 463 HA SER 65 HA SER 65 4.727 -13.787 -3.378 464 1HB SER 65 1HB SER 65 3.687 -15.341 -1.724 465 2HB SER 65 2HB SER 65 2.402 -15.702 -2.891 466 HG SER 65 HG SER 65 4.190 -17.199 -2.869 467 H GLN 66 H GLN 66 1.277 -14.008 -4.380 468 HA GLN 66 HA GLN 66 1.706 -14.940 -7.007 469 1HB GLN 66 1HB GLN 66 -0.485 -14.985 -5.940 470 2HB GLN 66 2HB GLN 66 -0.541 -13.243 -5.839 471 1HG GLN 66 1HG GLN 66 -1.985 -14.008 -7.607 472 2HG GLN 66 2HG GLN 66 -0.700 -13.019 -8.272 473 1HE2 GLN 66 1HE2 GLN 66 1.184 -14.225 -9.354 474 2HE2 GLN 66 2HE2 GLN 66 0.761 -15.761 -10.131 475 H PHE 67 H PHE 67 1.547 -11.550 -5.773 476 HA PHE 67 HA PHE 67 1.883 -10.612 -8.561 477 1HB PHE 67 1HB PHE 67 1.155 -9.245 -5.979 478 2HB PHE 67 2HB PHE 67 1.614 -8.336 -7.416 479 HD1 PHE 67 1HD PHE 67 -0.950 -10.624 -6.017 480 HD2 PHE 67 2HD PHE 67 0.218 -8.261 -9.420 481 HE1 PHE 67 1HE PHE 67 -3.212 -10.905 -6.979 482 HE2 PHE 67 2HE PHE 67 -2.054 -8.536 -10.378 483 HZ PHE 67 HZ PHE 67 -3.775 -9.856 -9.157 484 H GLY 68 H GLY 68 4.106 -11.937 -6.697 485 1HA GLY 68 1HA GLY 68 6.369 -11.938 -6.854 486 2HA GLY 68 2HA GLY 68 6.237 -10.730 -8.143 487 H ILE 69 H ILE 69 5.000 -10.269 -4.850 488 HA ILE 69 HA ILE 69 6.138 -7.634 -4.912 489 HB ILE 69 HB ILE 69 4.382 -9.094 -2.939 490 1HG1 ILE 69 1HG1 ILE 69 3.342 -8.909 -5.152 491 2HG1 ILE 69 2HG1 ILE 69 2.502 -7.961 -3.957 492 1HG2 ILE 69 1HG2 ILE 69 3.587 -6.830 -2.271 493 2HG2 ILE 69 2HG2 ILE 69 5.181 -7.264 -1.711 494 3HG2 ILE 69 3HG2 ILE 69 5.011 -6.138 -3.075 495 1HD1 ILE 69 1HD1 ILE 69 3.578 -5.889 -4.810 496 2HD1 ILE 69 2HD1 ILE 69 4.475 -6.843 -6.011 497 3HD1 ILE 69 3HD1 ILE 69 2.706 -6.744 -6.073 498 H MET 70 H MET 70 8.321 -8.314 -4.938 499 HA MET 70 HA MET 70 9.475 -8.400 -2.166 500 1HB MET 70 1HB MET 70 9.907 -10.333 -3.772 501 2HB MET 70 2HB MET 70 10.836 -9.206 -4.765 502 1HG MET 70 1HG MET 70 12.330 -8.792 -2.785 503 2HG MET 70 2HG MET 70 11.416 -9.995 -1.877 504 1HE MET 70 1HE MET 70 10.961 -12.387 -4.006 505 2HE MET 70 2HE MET 70 12.416 -13.339 -3.649 506 3HE MET 70 3HE MET 70 11.511 -12.577 -2.322 507 H SER 71 H SER 71 8.810 -6.289 -4.672 508 HA SER 71 HA SER 71 11.397 -5.007 -4.943 509 1HB SER 71 1HB SER 71 9.843 -5.360 -6.840 510 2HB SER 71 2HB SER 71 8.654 -4.294 -6.059 511 HG SER 71 HG SER 71 10.368 -2.710 -6.051 512 H ILE 72 H ILE 72 10.233 -4.811 -2.227 513 HA ILE 72 HA ILE 72 8.788 -2.481 -1.970 514 HB ILE 72 HB ILE 72 8.905 -2.744 0.416 515 1HG1 ILE 72 1HG1 ILE 72 11.187 -3.245 0.798 516 2HG1 ILE 72 2HG1 ILE 72 10.114 -4.386 1.589 517 1HG2 ILE 72 1HG2 ILE 72 7.406 -4.091 -1.000 518 2HG2 ILE 72 2HG2 ILE 72 8.546 -5.445 -0.887 519 3HG2 ILE 72 3HG2 ILE 72 7.769 -4.772 0.574 520 1HD1 ILE 72 1HD1 ILE 72 12.056 -5.537 0.785 521 2HD1 ILE 72 2HD1 ILE 72 10.683 -6.075 -0.195 522 3HD1 ILE 72 3HD1 ILE 72 11.864 -4.901 -0.845 523 HA PRO 73 HA PRO 73 8.496 -0.758 0.148 524 1HB PRO 73 1HB PRO 73 7.956 1.824 -0.393 525 2HB PRO 73 2HB PRO 73 9.033 1.289 0.912 526 1HG PRO 73 1HG PRO 73 9.794 2.243 -1.869 527 2HG PRO 73 2HG PRO 73 10.529 2.731 -0.313 528 1HD PRO 73 1HD PRO 73 11.635 0.813 -1.923 529 2HD PRO 73 2HD PRO 73 11.721 0.686 -0.146 530 H THR 74 H THR 74 6.632 -1.367 -0.740 531 HA THR 74 HA THR 74 6.030 -0.660 -3.578 532 HB THR 74 HB THR 74 5.505 -3.299 -2.147 533 HG1 THR 74 1HG THR 74 6.901 -4.109 -3.669 534 1HG2 THR 74 1HG2 THR 74 3.666 -2.985 -3.664 535 2HG2 THR 74 2HG2 THR 74 4.750 -2.423 -4.951 536 3HG2 THR 74 3HG2 THR 74 4.810 -4.103 -4.418 537 H LEU 75 H LEU 75 3.809 -0.300 -4.034 538 HA LEU 75 HA LEU 75 1.946 -0.174 -1.742 539 1HB LEU 75 1HB LEU 75 2.930 2.074 -2.382 540 2HB LEU 75 2HB LEU 75 2.114 1.919 -3.921 541 HG LEU 75 HG LEU 75 0.412 1.421 -1.486 542 1HD1 LEU 75 1HD1 LEU 75 0.135 3.852 -1.077 543 2HD1 LEU 75 2HD1 LEU 75 1.764 3.269 -0.709 544 3HD1 LEU 75 3HD1 LEU 75 1.464 4.168 -2.213 545 1HD2 LEU 75 1HD2 LEU 75 -0.071 3.126 -3.961 546 2HD2 LEU 75 2HD2 LEU 75 -0.504 1.404 -3.827 547 3HD2 LEU 75 3HD2 LEU 75 -1.273 2.589 -2.776 548 H ILE 76 H ILE 76 0.068 -1.360 -2.360 549 HA ILE 76 HA ILE 76 -0.479 -1.487 -5.277 550 HB ILE 76 HB ILE 76 -1.161 -3.663 -3.328 551 1HG1 ILE 76 1HG1 ILE 76 1.013 -3.700 -5.463 552 2HG1 ILE 76 2HG1 ILE 76 1.241 -3.768 -3.713 553 1HG2 ILE 76 1HG2 ILE 76 -1.444 -3.514 -6.376 554 2HG2 ILE 76 2HG2 ILE 76 -1.903 -4.909 -5.389 555 3HG2 ILE 76 3HG2 ILE 76 -2.774 -3.417 -5.197 556 1HD1 ILE 76 1HD1 ILE 76 1.391 -6.000 -4.215 557 2HD1 ILE 76 2HD1 ILE 76 -0.321 -5.905 -3.858 558 3HD1 ILE 76 3HD1 ILE 76 0.224 -5.923 -5.552 559 H LEU 77 H LEU 77 -2.388 -0.854 -5.765 560 HA LEU 77 HA LEU 77 -4.342 0.129 -3.735 561 1HB LEU 77 1HB LEU 77 -3.279 1.428 -5.871 562 2HB LEU 77 2HB LEU 77 -4.546 0.593 -6.716 563 HG LEU 77 HG LEU 77 -4.635 2.824 -4.694 564 1HD1 LEU 77 1HD1 LEU 77 -6.008 3.892 -6.417 565 2HD1 LEU 77 2HD1 LEU 77 -4.522 3.253 -7.122 566 3HD1 LEU 77 3HD1 LEU 77 -6.060 2.390 -7.349 567 1HD2 LEU 77 1HD2 LEU 77 -6.314 1.578 -3.656 568 2HD2 LEU 77 2HD2 LEU 77 -7.159 2.723 -4.669 569 3HD2 LEU 77 3HD2 LEU 77 -7.039 1.036 -5.184 570 H PHE 78 H PHE 78 -6.390 -0.882 -3.754 571 HA PHE 78 HA PHE 78 -6.955 -3.129 -5.609 572 1HB PHE 78 1HB PHE 78 -6.932 -3.186 -2.559 573 2HB PHE 78 2HB PHE 78 -7.673 -4.421 -3.539 574 HD1 PHE 78 1HD PHE 78 -6.330 -6.073 -4.774 575 HD2 PHE 78 2HD PHE 78 -4.546 -3.170 -2.131 576 HE1 PHE 78 1HE PHE 78 -4.310 -7.478 -4.611 577 HE2 PHE 78 2HE PHE 78 -2.575 -4.645 -1.872 578 HZ PHE 78 HZ PHE 78 -2.431 -6.780 -3.155 579 H LYS 79 H LYS 79 -9.160 -3.881 -5.438 580 HA LYS 79 HA LYS 79 -10.912 -3.009 -3.529 581 1HB LYS 79 1HB LYS 79 -12.454 -1.665 -4.339 582 2HB LYS 79 2HB LYS 79 -11.109 -0.917 -5.128 583 1HG LYS 79 1HG LYS 79 -12.815 -2.956 -6.655 584 2HG LYS 79 2HG LYS 79 -13.457 -1.382 -6.298 585 1HD LYS 79 1HD LYS 79 -12.425 -1.575 -8.561 586 2HD LYS 79 2HD LYS 79 -11.839 -0.244 -7.558 587 1HE LYS 79 1HE LYS 79 -9.929 -1.190 -8.610 588 2HE LYS 79 2HE LYS 79 -9.878 -1.619 -6.902 589 1HZ LYS 79 1HZ LYS 79 -10.535 -3.827 -7.424 590 2HZ LYS 79 2HZ LYS 79 -10.889 -3.539 -8.978 591 3HZ LYS 79 3HZ LYS 79 -9.322 -3.449 -8.480 592 H GLY 80 H GLY 80 -12.835 -4.323 -3.572 593 1HA GLY 80 1HA GLY 80 -14.236 -6.043 -4.163 594 2HA GLY 80 2HA GLY 80 -13.842 -5.650 -5.837 595 H GLY 81 H GLY 81 -11.153 -6.662 -3.860 596 1HA GLY 81 1HA GLY 81 -10.137 -8.753 -3.616 597 2HA GLY 81 2HA GLY 81 -11.275 -9.477 -4.757 598 H GLU 82 H GLU 82 -10.433 -6.730 -6.419 599 HA GLU 82 HA GLU 82 -8.256 -8.081 -7.875 600 1HB GLU 82 1HB GLU 82 -9.701 -5.529 -8.455 601 2HB GLU 82 2HB GLU 82 -8.815 -6.481 -9.600 602 1HG GLU 82 1HG GLU 82 -10.634 -8.038 -9.810 603 2HG GLU 82 2HG GLU 82 -11.503 -7.324 -8.438 604 HA PRO 83 HA PRO 83 -5.676 -4.430 -6.612 605 1HB PRO 83 1HB PRO 83 -3.893 -4.312 -8.656 606 2HB PRO 83 2HB PRO 83 -3.843 -5.597 -7.416 607 1HG PRO 83 1HG PRO 83 -5.125 -5.725 -10.168 608 2HG PRO 83 2HG PRO 83 -3.963 -6.880 -9.440 609 1HD PRO 83 1HD PRO 83 -6.663 -7.281 -9.367 610 2HD PRO 83 2HD PRO 83 -5.610 -7.774 -8.007 611 H VAL 84 H VAL 84 -5.015 -2.379 -7.871 612 HA VAL 84 HA VAL 84 -6.526 -1.823 -10.363 613 HB VAL 84 HB VAL 84 -6.020 0.663 -8.968 614 1HG1 VAL 84 1HG1 VAL 84 -8.295 1.191 -9.692 615 2HG1 VAL 84 2HG1 VAL 84 -7.345 0.468 -11.001 616 3HG1 VAL 84 3HG1 VAL 84 -8.550 -0.512 -10.144 617 1HG2 VAL 84 1HG2 VAL 84 -8.026 0.566 -7.436 618 2HG2 VAL 84 2HG2 VAL 84 -7.927 -1.210 -7.566 619 3HG2 VAL 84 3HG2 VAL 84 -6.588 -0.302 -6.901 620 H LYS 85 H LYS 85 -3.753 -0.952 -8.201 621 HA LYS 85 HA LYS 85 -2.021 -0.629 -10.562 622 1HB LYS 85 1HB LYS 85 -2.390 1.448 -8.349 623 2HB LYS 85 2HB LYS 85 -1.127 1.499 -9.578 624 1HG LYS 85 1HG LYS 85 -2.786 1.821 -11.357 625 2HG LYS 85 2HG LYS 85 -4.109 1.614 -10.193 626 1HD LYS 85 1HD LYS 85 -3.202 3.585 -8.910 627 2HD LYS 85 2HD LYS 85 -2.140 3.925 -10.290 628 1HE LYS 85 1HE LYS 85 -4.003 4.303 -11.743 629 2HE LYS 85 2HE LYS 85 -5.129 3.499 -10.634 630 1HZ LYS 85 1HZ LYS 85 -4.866 5.326 -9.104 631 2HZ LYS 85 2HZ LYS 85 -3.832 6.116 -10.116 632 3HZ LYS 85 3HZ LYS 85 -5.402 5.886 -10.524 633 H GLN 86 H GLN 86 0.180 -1.055 -9.989 634 HA GLN 86 HA GLN 86 0.840 -1.545 -7.154 635 1HB GLN 86 1HB GLN 86 0.973 -3.721 -8.151 636 2HB GLN 86 2HB GLN 86 1.779 -3.093 -9.603 637 1HG GLN 86 1HG GLN 86 3.774 -2.510 -8.308 638 2HG GLN 86 2HG GLN 86 3.011 -3.010 -6.808 639 1HE2 GLN 86 1HE2 GLN 86 1.943 -5.498 -8.726 640 2HE2 GLN 86 2HE2 GLN 86 3.364 -6.527 -8.547 641 H LEU 87 H LEU 87 2.461 -0.228 -6.517 642 HA LEU 87 HA LEU 87 4.014 1.330 -8.518 643 1HB LEU 87 1HB LEU 87 3.078 2.364 -5.815 644 2HB LEU 87 2HB LEU 87 3.939 3.236 -7.050 645 HG LEU 87 HG LEU 87 1.764 4.085 -6.977 646 1HD1 LEU 87 1HD1 LEU 87 0.898 3.752 -9.223 647 2HD1 LEU 87 2HD1 LEU 87 2.680 3.830 -9.237 648 3HD1 LEU 87 3HD1 LEU 87 1.850 2.273 -9.413 649 1HD2 LEU 87 1HD2 LEU 87 0.422 1.429 -7.535 650 2HD2 LEU 87 2HD2 LEU 87 0.656 2.070 -5.906 651 3HD2 LEU 87 3HD2 LEU 87 -0.300 2.977 -7.093 652 H ILE 88 H ILE 88 6.256 1.499 -7.877 653 HA ILE 88 HA ILE 88 7.088 0.034 -5.463 654 HB ILE 88 HB ILE 88 8.720 -1.198 -6.898 655 1HG1 ILE 88 1HG1 ILE 88 8.507 0.007 -9.047 656 2HG1 ILE 88 2HG1 ILE 88 8.400 -1.743 -9.140 657 1HG2 ILE 88 1HG2 ILE 88 6.936 -2.349 -5.854 658 2HG2 ILE 88 2HG2 ILE 88 5.799 -1.954 -7.150 659 3HG2 ILE 88 3HG2 ILE 88 7.167 -3.039 -7.462 660 1HD1 ILE 88 1HD1 ILE 88 5.912 -1.558 -9.439 661 2HD1 ILE 88 2HD1 ILE 88 6.110 0.210 -9.540 662 3HD1 ILE 88 3HD1 ILE 88 6.884 -0.835 -10.723 663 H GLY 89 H GLY 89 8.925 0.795 -4.607 664 1HA GLY 89 1HA GLY 89 11.047 1.852 -4.602 665 2HA GLY 89 2HA GLY 89 10.663 2.673 -6.128 666 H TYR 90 H TYR 90 11.671 4.141 -4.001 667 HA TYR 90 HA TYR 90 9.527 5.354 -2.485 668 1HB TYR 90 1HB TYR 90 11.801 5.106 -1.578 669 2HB TYR 90 2HB TYR 90 12.381 6.273 -2.755 670 HD1 TYR 90 1HD TYR 90 9.150 7.507 -1.797 671 HD2 TYR 90 2HD TYR 90 13.173 7.002 -0.286 672 HE1 TYR 90 1HE TYR 90 8.707 9.189 -0.124 673 HE2 TYR 90 2HE TYR 90 12.714 8.743 1.416 674 HH TYR 90 HH TYR 90 10.207 9.342 2.638 675 H GLN 91 H GLN 91 8.196 5.775 -4.371 676 HA GLN 91 HA GLN 91 8.796 8.094 -6.002 677 1HB GLN 91 1HB GLN 91 5.952 7.365 -5.276 678 2HB GLN 91 2HB GLN 91 6.605 8.037 -6.747 679 1HG GLN 91 1HG GLN 91 7.008 5.149 -5.901 680 2HG GLN 91 2HG GLN 91 5.806 5.735 -7.037 681 1HE2 GLN 91 1HE2 GLN 91 6.495 6.728 -9.054 682 2HE2 GLN 91 2HE2 GLN 91 8.081 6.269 -9.719 683 HA PRO 92 HA PRO 92 8.127 10.918 -2.528 684 1HB PRO 92 1HB PRO 92 8.005 13.324 -3.818 685 2HB PRO 92 2HB PRO 92 9.517 12.417 -3.576 686 1HG PRO 92 1HG PRO 92 7.740 12.477 -6.031 687 2HG PRO 92 2HG PRO 92 9.516 12.672 -5.951 688 1HD PRO 92 1HD PRO 92 8.354 10.259 -6.538 689 2HD PRO 92 2HD PRO 92 9.847 10.354 -5.564 690 H LYS 93 H LYS 93 6.485 12.687 -1.911 691 HA LYS 93 HA LYS 93 3.989 11.406 -1.750 692 1HB LYS 93 1HB LYS 93 5.302 13.525 -0.508 693 2HB LYS 93 2HB LYS 93 4.047 14.384 -1.359 694 1HG LYS 93 1HG LYS 93 3.700 12.168 0.680 695 2HG LYS 93 2HG LYS 93 3.301 13.886 0.853 696 1HD LYS 93 1HD LYS 93 1.633 13.548 -1.080 697 2HD LYS 93 2HD LYS 93 1.879 11.801 -0.845 698 1HE LYS 93 1HE LYS 93 0.673 13.849 1.030 699 2HE LYS 93 2HE LYS 93 -0.092 12.397 0.370 700 1HZ LYS 93 1HZ LYS 93 0.687 12.358 2.736 701 2HZ LYS 93 2HZ LYS 93 1.373 11.088 1.845 702 3HZ LYS 93 3HZ LYS 93 2.157 12.498 2.296 703 H GLU 94 H GLU 94 5.061 14.165 -3.523 704 HA GLU 94 HA GLU 94 2.883 15.071 -4.980 705 1HB GLU 94 1HB GLU 94 5.664 14.805 -6.175 706 2HB GLU 94 2HB GLU 94 4.409 15.986 -6.549 707 1HG GLU 94 1HG GLU 94 5.726 17.243 -5.216 708 2HG GLU 94 2HG GLU 94 4.639 16.611 -3.994 709 H GLN 95 H GLN 95 4.907 12.207 -5.705 710 HA GLN 95 HA GLN 95 3.872 11.798 -8.396 711 1HB GLN 95 1HB GLN 95 6.254 11.326 -7.227 712 2HB GLN 95 2HB GLN 95 5.494 9.838 -6.754 713 1HG GLN 95 1HG GLN 95 5.890 10.864 -9.594 714 2HG GLN 95 2HG GLN 95 6.870 9.643 -8.790 715 1HE2 GLN 95 1HE2 GLN 95 3.986 10.172 -10.689 716 2HE2 GLN 95 2HE2 GLN 95 3.534 8.482 -10.783 717 H LEU 96 H LEU 96 3.707 10.481 -5.096 718 HA LEU 96 HA LEU 96 2.125 8.197 -5.501 719 1HB LEU 96 1HB LEU 96 3.370 9.361 -3.394 720 2HB LEU 96 2HB LEU 96 1.758 9.877 -3.082 721 HG LEU 96 HG LEU 96 1.824 7.957 -1.835 722 1HD1 LEU 96 1HD1 LEU 96 0.472 6.235 -2.769 723 2HD1 LEU 96 2HD1 LEU 96 -0.070 7.727 -3.537 724 3HD1 LEU 96 3HD1 LEU 96 0.969 6.608 -4.430 725 1HD2 LEU 96 1HD2 LEU 96 3.482 6.664 -4.026 726 2HD2 LEU 96 2HD2 LEU 96 4.054 7.292 -2.461 727 3HD2 LEU 96 3HD2 LEU 96 2.987 5.879 -2.509 728 H GLU 97 H GLU 97 1.037 11.534 -4.399 729 HA GLU 97 HA GLU 97 -1.707 11.018 -4.685 730 1HB GLU 97 1HB GLU 97 0.016 13.488 -4.767 731 2HB GLU 97 2HB GLU 97 -1.708 13.552 -4.742 732 1HG GLU 97 1HG GLU 97 -0.083 12.214 -2.549 733 2HG GLU 97 2HG GLU 97 -0.453 13.944 -2.560 734 H ALA 98 H ALA 98 0.814 12.214 -7.033 735 HA ALA 98 HA ALA 98 -1.229 12.932 -8.963 736 1HB ALA 98 1HB ALA 98 0.614 13.005 -10.619 737 2HB ALA 98 2HB ALA 98 1.050 13.864 -9.132 738 3HB ALA 98 3HB ALA 98 1.710 12.239 -9.448 739 H GLN 99 H GLN 99 0.567 9.904 -8.400 740 HA GLN 99 HA GLN 99 -0.636 8.615 -10.706 741 1HB GLN 99 1HB GLN 99 1.570 8.108 -9.217 742 2HB GLN 99 2HB GLN 99 0.462 7.083 -8.323 743 1HG GLN 99 1HG GLN 99 1.654 5.803 -9.978 744 2HG GLN 99 2HG GLN 99 -0.045 5.870 -10.473 745 1HE2 GLN 99 1HE2 GLN 99 -0.449 6.679 -12.591 746 2HE2 GLN 99 2HE2 GLN 99 0.807 7.444 -13.554 747 H LEU 100 H LEU 100 -1.665 9.023 -7.413 748 HA LEU 100 HA LEU 100 -3.840 7.055 -7.799 749 1HB LEU 100 1HB LEU 100 -1.955 7.614 -5.694 750 2HB LEU 100 2HB LEU 100 -3.544 7.940 -5.114 751 HG LEU 100 HG LEU 100 -4.188 5.592 -5.961 752 1HD1 LEU 100 1HD1 LEU 100 -2.305 4.024 -6.323 753 2HD1 LEU 100 2HD1 LEU 100 -2.259 5.321 -7.531 754 3HD1 LEU 100 3HD1 LEU 100 -1.143 5.358 -6.158 755 1HD2 LEU 100 1HD2 LEU 100 -3.779 6.029 -3.581 756 2HD2 LEU 100 2HD2 LEU 100 -3.100 4.457 -4.026 757 3HD2 LEU 100 3HD2 LEU 100 -2.022 5.851 -3.823 758 H ALA 101 H ALA 101 -3.501 10.427 -8.001 759 HA ALA 101 HA ALA 101 -5.466 11.603 -6.615 760 1HB ALA 101 1HB ALA 101 -5.711 13.190 -8.548 761 2HB ALA 101 2HB ALA 101 -4.034 12.876 -8.107 762 3HB ALA 101 3HB ALA 101 -4.733 12.081 -9.535 763 H ASP 102 H ASP 102 -6.028 9.560 -9.480 764 HA ASP 102 HA ASP 102 -8.810 10.236 -9.854 765 1HB ASP 102 1HB ASP 102 -8.745 8.167 -11.286 766 2HB ASP 102 2HB ASP 102 -7.478 9.331 -11.665 767 H VAL 103 H VAL 103 -7.308 8.373 -7.350 768 HA VAL 103 HA VAL 103 -10.029 7.400 -6.637 769 HB VAL 103 HB VAL 103 -7.841 5.778 -6.941 770 1HG1 VAL 103 1HG1 VAL 103 -6.585 6.725 -5.062 771 2HG1 VAL 103 2HG1 VAL 103 -7.916 6.328 -3.951 772 3HG1 VAL 103 3HG1 VAL 103 -7.034 5.044 -4.771 773 1HG2 VAL 103 1HG2 VAL 103 -9.156 4.119 -5.743 774 2HG2 VAL 103 2HG2 VAL 103 -10.185 5.418 -5.069 775 3HG2 VAL 103 3HG2 VAL 103 -10.153 5.109 -6.814 776 H LEU 104 H LEU 104 -7.781 9.846 -5.947 777 HA LEU 104 HA LEU 104 -8.713 10.202 -3.171 778 1HB LEU 104 1HB LEU 104 -6.469 11.261 -4.898 779 2HB LEU 104 2HB LEU 104 -7.002 12.201 -3.591 780 HG LEU 104 HG LEU 104 -5.309 11.194 -2.551 781 1HD1 LEU 104 1HD1 LEU 104 -5.865 9.211 -1.238 782 2HD1 LEU 104 2HD1 LEU 104 -7.203 10.389 -1.247 783 3HD1 LEU 104 3HD1 LEU 104 -7.266 8.898 -2.255 784 1HD2 LEU 104 1HD2 LEU 104 -4.372 9.023 -2.973 785 2HD2 LEU 104 2HD2 LEU 104 -5.690 8.622 -4.095 786 3HD2 LEU 104 3HD2 LEU 104 -4.526 9.931 -4.474 787 H GLN 105 H GLN 105 -9.462 11.194 -6.340 788 HA GLN 105 HA GLN 105 -10.459 13.771 -6.081 789 1HB GLN 105 2HB GLN 105 -10.256 12.488 -8.149 790 2HB GLN 105 3HB GLN 105 -11.581 11.451 -7.643 791 1HG GLN 105 2HG GLN 105 -13.086 13.494 -7.584 792 2HG GLN 105 3HG GLN 105 -11.728 14.460 -8.166 793 1HE2 GLN 105 1HE2 GLN 105 -10.703 12.523 -10.152 794 2HE2 GLN 105 2HE2 GLN 105 -11.941 12.478 -11.404 Start of MODEL 19 1 1H ALA 1 H ALA 1 -11.898 -0.504 7.294 2 2H ALA 1 2HN ALA 1 -12.685 -0.168 5.850 3 3H ALA 1 3HN ALA 1 -11.221 -0.833 5.826 4 HA ALA 1 HA ALA 1 -11.050 1.437 5.281 5 1HB ALA 1 1HB ALA 1 -12.021 2.008 8.096 6 2HB ALA 1 2HB ALA 1 -11.497 3.189 6.875 7 3HB ALA 1 3HB ALA 1 -12.970 2.253 6.601 8 H THR 2 H THR 2 -9.338 2.990 6.474 9 HA THR 2 HA THR 2 -7.038 1.596 6.399 10 HB THR 2 HB THR 2 -7.670 4.238 7.762 11 HG1 THR 2 1HG THR 2 -7.838 4.955 5.814 12 1HG2 THR 2 1HG2 THR 2 -4.981 3.188 6.775 13 2HG2 THR 2 2HG2 THR 2 -5.305 4.851 7.271 14 3HG2 THR 2 3HG2 THR 2 -5.412 3.527 8.445 15 H MET 3 H MET 3 -5.776 0.366 7.716 16 HA MET 3 HA MET 3 -5.558 0.733 10.520 17 1HB MET 3 1HB MET 3 -6.427 -1.433 11.274 18 2HB MET 3 2HB MET 3 -7.711 -0.427 10.625 19 1HG MET 3 1HG MET 3 -7.602 -1.685 8.475 20 2HG MET 3 2HG MET 3 -6.369 -2.730 9.164 21 1HE MET 3 1HE MET 3 -8.407 -4.680 11.939 22 2HE MET 3 2HE MET 3 -6.791 -4.267 11.320 23 3HE MET 3 3HE MET 3 -7.705 -3.087 12.290 24 H THR 4 H THR 4 -4.166 -1.407 11.387 25 HA THR 4 HA THR 4 -1.920 -1.738 9.633 26 HB THR 4 HB THR 4 -2.641 -3.412 12.042 27 HG1 THR 4 1HG THR 4 -1.426 -0.856 12.078 28 1HG2 THR 4 1HG2 THR 4 -0.181 -3.328 12.468 29 2HG2 THR 4 2HG2 THR 4 -0.567 -4.109 10.933 30 3HG2 THR 4 3HG2 THR 4 0.040 -2.438 10.944 31 H LEU 5 H LEU 5 -1.166 -3.852 8.670 32 HA LEU 5 HA LEU 5 -3.438 -5.681 8.090 33 1HB LEU 5 1HB LEU 5 -2.156 -3.917 6.297 34 2HB LEU 5 2HB LEU 5 -1.384 -5.416 6.021 35 HG LEU 5 HG LEU 5 -3.650 -6.498 5.713 36 1HD1 LEU 5 1HD1 LEU 5 -5.618 -5.207 5.417 37 2HD1 LEU 5 2HD1 LEU 5 -4.936 -4.594 6.925 38 3HD1 LEU 5 3HD1 LEU 5 -4.753 -3.679 5.427 39 1HD2 LEU 5 1HD2 LEU 5 -4.020 -5.376 3.438 40 2HD2 LEU 5 2HD2 LEU 5 -2.770 -4.214 3.895 41 3HD2 LEU 5 3HD2 LEU 5 -2.373 -5.935 3.751 42 H THR 6 H THR 6 -2.783 -7.911 7.403 43 HA THR 6 HA THR 6 -0.287 -8.968 7.539 44 HB THR 6 HB THR 6 -2.152 -9.827 9.811 45 HG1 THR 6 1HG THR 6 -0.513 -7.710 9.797 46 1HG2 THR 6 1HG2 THR 6 -0.094 -10.976 10.662 47 2HG2 THR 6 2HG2 THR 6 -0.607 -11.611 9.101 48 3HG2 THR 6 3HG2 THR 6 0.770 -10.485 9.194 49 H ASP 7 H ASP 7 -0.914 -11.427 7.180 50 HA ASP 7 HA ASP 7 -2.032 -11.691 4.806 51 1HB ASP 7 1HB ASP 7 -2.002 -13.789 7.018 52 2HB ASP 7 2HB ASP 7 -2.176 -14.144 5.299 53 H ALA 8 H ALA 8 -3.849 -12.723 7.680 54 HA ALA 8 HA ALA 8 -6.290 -13.246 6.307 55 1HB ALA 8 1HB ALA 8 -5.828 -14.065 8.592 56 2HB ALA 8 2HB ALA 8 -5.904 -12.399 9.216 57 3HB ALA 8 3HB ALA 8 -7.356 -13.159 8.539 58 H ASN 9 H ASN 9 -5.084 -10.276 7.783 59 HA ASN 9 HA ASN 9 -7.604 -8.886 7.438 60 1HB ASN 9 1HB ASN 9 -5.907 -8.420 9.307 61 2HB ASN 9 2HB ASN 9 -5.035 -7.486 8.075 62 1HD2 ASN 9 1HD2 ASN 9 -5.523 -5.232 9.029 63 2HD2 ASN 9 2HD2 ASN 9 -7.215 -4.801 9.062 64 H PHE 10 H PHE 10 -4.744 -9.423 5.542 65 HA PHE 10 HA PHE 10 -4.929 -7.360 3.623 66 1HB PHE 10 1HB PHE 10 -3.184 -9.293 3.925 67 2HB PHE 10 2HB PHE 10 -4.244 -10.226 2.883 68 HD1 PHE 10 1HD PHE 10 -1.220 -9.014 2.645 69 HD2 PHE 10 2HD PHE 10 -5.031 -8.307 0.736 70 HE1 PHE 10 1HE PHE 10 -0.106 -8.129 0.719 71 HE2 PHE 10 2HE PHE 10 -3.881 -7.354 -1.205 72 HZ PHE 10 HZ PHE 10 -1.414 -7.228 -1.245 73 H GLN 11 H GLN 11 -6.388 -10.664 3.547 74 HA GLN 11 HA GLN 11 -8.136 -10.079 1.344 75 1HB GLN 11 1HB GLN 11 -8.419 -12.134 3.601 76 2HB GLN 11 2HB GLN 11 -9.431 -12.056 2.155 77 1HG GLN 11 1HG GLN 11 -7.327 -12.340 0.760 78 2HG GLN 11 2HG GLN 11 -6.445 -12.656 2.262 79 1HE2 GLN 11 1HE2 GLN 11 -6.334 -14.851 2.876 80 2HE2 GLN 11 2HE2 GLN 11 -7.517 -16.044 2.343 81 H GLN 12 H GLN 12 -8.741 -9.899 4.927 82 HA GLN 12 HA GLN 12 -11.481 -9.199 4.639 83 1HB GLN 12 1HB GLN 12 -9.520 -8.444 6.837 84 2HB GLN 12 2HB GLN 12 -11.256 -8.236 6.958 85 1HG GLN 12 1HG GLN 12 -11.680 -10.581 6.968 86 2HG GLN 12 2HG GLN 12 -10.050 -10.978 6.446 87 1HE2 GLN 12 1HE2 GLN 12 -11.516 -9.000 9.153 88 2HE2 GLN 12 2HE2 GLN 12 -10.467 -9.729 10.361 89 H ALA 13 H ALA 13 -8.604 -7.058 4.380 90 HA ALA 13 HA ALA 13 -10.229 -4.695 4.080 91 1HB ALA 13 1HB ALA 13 -7.883 -4.570 4.785 92 2HB ALA 13 2HB ALA 13 -7.353 -5.255 3.234 93 3HB ALA 13 3HB ALA 13 -8.157 -3.668 3.291 94 H ILE 14 H ILE 14 -8.332 -6.724 1.721 95 HA ILE 14 HA ILE 14 -9.323 -5.174 -0.418 96 HB ILE 14 HB ILE 14 -8.193 -6.556 -1.903 97 1HG1 ILE 14 1HG1 ILE 14 -7.278 -8.647 0.008 98 2HG1 ILE 14 2HG1 ILE 14 -8.864 -8.825 -0.744 99 1HG2 ILE 14 1HG2 ILE 14 -6.323 -6.581 0.464 100 2HG2 ILE 14 2HG2 ILE 14 -5.996 -6.168 -1.226 101 3HG2 ILE 14 3HG2 ILE 14 -6.915 -5.085 -0.164 102 1HD1 ILE 14 1HD1 ILE 14 -7.861 -8.616 -2.986 103 2HD1 ILE 14 2HD1 ILE 14 -6.251 -8.412 -2.259 104 3HD1 ILE 14 3HD1 ILE 14 -7.126 -9.947 -2.072 105 H GLN 15 H GLN 15 -10.958 -7.779 1.077 106 HA GLN 15 HA GLN 15 -12.475 -8.809 -1.040 107 1HB GLN 15 1HB GLN 15 -14.156 -9.433 0.678 108 2HB GLN 15 2HB GLN 15 -12.506 -9.858 1.093 109 1HG GLN 15 1HG GLN 15 -13.612 -9.117 3.068 110 2HG GLN 15 2HG GLN 15 -12.365 -7.967 2.622 111 1HE2 GLN 15 1HE2 GLN 15 -13.124 -6.177 3.683 112 2HE2 GLN 15 2HE2 GLN 15 -14.667 -5.405 3.289 113 H GLY 16 H GLY 16 -12.717 -5.577 0.252 114 1HA GLY 16 1HA GLY 16 -14.721 -4.798 -1.709 115 2HA GLY 16 2HA GLY 16 -15.373 -4.920 -0.081 116 H ASP 17 H ASP 17 -15.259 -3.243 0.948 117 HA ASP 17 HA ASP 17 -14.682 -1.521 2.255 118 1HB ASP 17 1HB ASP 17 -13.035 -3.407 2.651 119 2HB ASP 17 2HB ASP 17 -11.858 -2.448 1.759 120 H GLY 18 H GLY 18 -13.350 -1.271 -0.886 121 1HA GLY 18 1HA GLY 18 -13.658 0.896 -2.045 122 2HA GLY 18 2HA GLY 18 -13.193 1.711 -0.545 123 HA PRO 19 HA PRO 19 -9.512 1.450 -3.450 124 1HB PRO 19 1HB PRO 19 -8.546 4.006 -2.505 125 2HB PRO 19 2HB PRO 19 -9.249 3.585 -4.069 126 1HG PRO 19 1HG PRO 19 -10.492 4.926 -1.778 127 2HG PRO 19 2HG PRO 19 -11.043 4.902 -3.463 128 1HD PRO 19 1HD PRO 19 -12.219 3.518 -1.335 129 2HD PRO 19 2HD PRO 19 -12.450 3.126 -3.063 130 H VAL 20 H VAL 20 -8.382 -0.139 -2.464 131 HA VAL 20 HA VAL 20 -7.382 0.250 0.253 132 HB VAL 20 HB VAL 20 -8.678 -1.846 -0.939 133 1HG1 VAL 20 1HG1 VAL 20 -7.362 -3.586 -1.550 134 2HG1 VAL 20 2HG1 VAL 20 -6.677 -2.207 -2.391 135 3HG1 VAL 20 3HG1 VAL 20 -5.844 -2.842 -0.958 136 1HG2 VAL 20 1HG2 VAL 20 -8.281 -1.671 1.521 137 2HG2 VAL 20 2HG2 VAL 20 -7.938 -3.280 0.910 138 3HG2 VAL 20 3HG2 VAL 20 -6.599 -2.167 1.281 139 H LEU 21 H LEU 21 -5.244 0.203 0.814 140 HA LEU 21 HA LEU 21 -3.245 0.027 -1.372 141 1HB LEU 21 1HB LEU 21 -3.354 2.190 0.759 142 2HB LEU 21 2HB LEU 21 -1.905 1.769 -0.109 143 HG LEU 21 HG LEU 21 -2.666 3.724 -1.047 144 1HD1 LEU 21 1HD1 LEU 21 -2.002 1.761 -2.607 145 2HD1 LEU 21 2HD1 LEU 21 -3.711 1.740 -3.047 146 3HD1 LEU 21 3HD1 LEU 21 -2.728 3.188 -3.332 147 1HD2 LEU 21 1HD2 LEU 21 -5.030 3.611 -0.198 148 2HD2 LEU 21 2HD2 LEU 21 -4.847 4.279 -1.822 149 3HD2 LEU 21 3HD2 LEU 21 -5.436 2.627 -1.615 150 H VAL 22 H VAL 22 -1.427 -1.062 -0.748 151 HA VAL 22 HA VAL 22 -1.267 -1.996 2.084 152 HB VAL 22 HB VAL 22 -0.749 -3.623 -0.451 153 1HG1 VAL 22 1HG1 VAL 22 0.728 -4.274 1.422 154 2HG1 VAL 22 2HG1 VAL 22 -0.677 -4.390 2.507 155 3HG1 VAL 22 3HG1 VAL 22 -0.495 -5.510 1.142 156 1HG2 VAL 22 1HG2 VAL 22 -3.147 -3.369 -0.200 157 2HG2 VAL 22 2HG2 VAL 22 -2.714 -4.981 0.369 158 3HG2 VAL 22 3HG2 VAL 22 -3.058 -3.694 1.541 159 H ASP 23 H ASP 23 0.464 -0.911 2.918 160 HA ASP 23 HA ASP 23 2.805 -0.237 1.238 161 1HB ASP 23 1HB ASP 23 2.057 1.179 3.206 162 2HB ASP 23 2HB ASP 23 2.498 -0.131 4.246 163 H PHE 24 H PHE 24 3.727 -2.007 0.477 164 HA PHE 24 HA PHE 24 4.466 -4.271 2.234 165 1HB PHE 24 1HB PHE 24 4.907 -3.635 -0.685 166 2HB PHE 24 2HB PHE 24 5.537 -5.072 0.067 167 HD1 PHE 24 1HD PHE 24 2.718 -3.796 -1.733 168 HD2 PHE 24 2HD PHE 24 3.889 -6.564 1.350 169 HE1 PHE 24 1HE PHE 24 0.909 -5.359 -2.429 170 HE2 PHE 24 2HE PHE 24 2.177 -8.158 0.599 171 HZ PHE 24 HZ PHE 24 0.802 -7.644 -1.367 172 H TRP 25 H TRP 25 6.007 -3.728 3.544 173 HA TRP 25 HA TRP 25 8.557 -2.721 2.461 174 1HB TRP 25 1HB TRP 25 9.035 -1.426 4.404 175 2HB TRP 25 2HB TRP 25 7.475 -0.878 3.813 176 HD1 TRP 25 HD TRP 25 5.302 -1.918 5.234 177 HE1 TRP 25 1HE TRP 25 5.058 -2.502 7.707 178 HE3 TRP 25 3HE TRP 25 10.254 -1.930 6.551 179 HZ2 TRP 25 2HZ TRP 25 6.823 -3.113 9.956 180 HZ3 TRP 25 3HZ TRP 25 10.938 -2.516 8.846 181 HH2 TRP 25 HH TRP 25 9.235 -3.136 10.551 182 H ALA 26 H ALA 26 10.240 -3.464 4.535 183 HA ALA 26 HA ALA 26 9.256 -5.773 5.890 184 1HB ALA 26 1HB ALA 26 9.879 -6.899 3.783 185 2HB ALA 26 2HB ALA 26 11.476 -6.113 3.821 186 3HB ALA 26 3HB ALA 26 11.036 -7.325 5.041 187 H ALA 27 H ALA 27 10.832 -6.608 7.386 188 HA ALA 27 HA ALA 27 12.107 -4.583 8.846 189 1HB ALA 27 1HB ALA 27 11.177 -6.654 9.792 190 2HB ALA 27 2HB ALA 27 12.475 -7.599 9.019 191 3HB ALA 27 3HB ALA 27 12.861 -6.417 10.289 192 H TRP 28 H TRP 28 13.407 -5.900 6.010 193 HA TRP 28 HA TRP 28 16.181 -5.312 6.923 194 1HB TRP 28 1HB TRP 28 16.970 -7.088 5.953 195 2HB TRP 28 2HB TRP 28 15.329 -7.674 5.887 196 HD1 TRP 28 HD TRP 28 18.163 -6.330 3.807 197 HE1 TRP 28 1HE TRP 28 17.656 -6.375 1.306 198 HE3 TRP 28 3HE TRP 28 13.296 -7.928 3.996 199 HZ2 TRP 28 2HZ TRP 28 15.316 -6.645 -0.373 200 HZ3 TRP 28 3HZ TRP 28 11.926 -7.991 1.917 201 HH2 TRP 28 HH TRP 28 12.923 -7.234 -0.237 202 H CYS 29 H CYS 29 13.664 -4.110 4.774 203 HA CYS 29 HA CYS 29 15.555 -3.268 2.719 204 1HB CYS 29 1HB CYS 29 13.662 -2.102 1.690 205 2HB CYS 29 2HB CYS 29 13.433 -3.818 1.963 206 H GLY 30 H GLY 30 15.814 -0.915 2.146 207 1HA GLY 30 1HA GLY 30 16.472 0.599 4.590 208 2HA GLY 30 2HA GLY 30 17.101 0.875 2.973 209 HA PRO 31 HA PRO 31 14.604 4.394 2.636 210 1HB PRO 31 1HB PRO 31 13.769 4.515 0.019 211 2HB PRO 31 2HB PRO 31 15.469 4.745 0.540 212 1HG PRO 31 1HG PRO 31 14.163 2.219 -0.508 213 2HG PRO 31 2HG PRO 31 15.715 2.957 -1.027 214 1HD PRO 31 1HD PRO 31 15.663 0.925 0.762 215 2HD PRO 31 2HD PRO 31 16.804 2.288 0.976 216 H CYS 32 H CYS 32 13.018 1.428 1.939 217 HA CYS 32 HA CYS 32 10.295 2.172 1.850 218 1HB CYS 32 1HB CYS 32 9.863 -0.024 2.776 219 2HB CYS 32 2HB CYS 32 11.155 -0.141 1.590 220 H ARG 33 H ARG 33 12.541 2.016 4.659 221 HA ARG 33 HA ARG 33 10.467 2.528 6.584 222 1HB ARG 33 1HB ARG 33 12.632 1.347 6.971 223 2HB ARG 33 2HB ARG 33 13.469 2.893 6.867 224 1HG ARG 33 1HG ARG 33 11.153 2.655 8.786 225 2HG ARG 33 2HG ARG 33 12.616 1.762 9.186 226 1HD ARG 33 1HD ARG 33 13.921 3.679 9.482 227 2HD ARG 33 2HD ARG 33 12.899 4.671 8.457 228 HE ARG 33 HE ARG 33 11.468 5.115 10.136 229 1HH1 ARG 33 2HH2 ARG 33 13.648 2.578 11.266 230 2HH1 ARG 33 1HH2 ARG 33 13.146 2.639 12.921 231 1HH2 ARG 33 2HH1 ARG 33 10.775 5.231 12.342 232 2HH2 ARG 33 1HH1 ARG 33 11.462 4.195 13.537 233 H MET 34 H MET 34 11.932 4.628 4.285 234 HA MET 34 HA MET 34 11.246 7.027 5.844 235 1HB MET 34 1HB MET 34 12.798 6.696 3.248 236 2HB MET 34 2HB MET 34 12.490 8.224 4.081 237 1HG MET 34 1HG MET 34 13.705 7.310 6.080 238 2HG MET 34 2HG MET 34 14.175 5.914 5.102 239 1HE MET 34 1HE MET 34 15.988 6.022 3.098 240 2HE MET 34 2HE MET 34 14.817 7.068 2.254 241 3HE MET 34 3HE MET 34 16.517 7.557 2.383 242 H MET 35 H MET 35 10.017 4.919 3.444 243 HA MET 35 HA MET 35 8.244 6.889 2.188 244 1HB MET 35 1HB MET 35 9.310 5.013 0.854 245 2HB MET 35 2HB MET 35 8.315 3.869 1.763 246 1HG MET 35 1HG MET 35 6.310 5.032 0.892 247 2HG MET 35 2HG MET 35 7.327 6.214 0.073 248 1HE MET 35 1HE MET 35 5.984 4.362 -3.044 249 2HE MET 35 2HE MET 35 5.082 4.848 -1.594 250 3HE MET 35 3HE MET 35 6.315 5.934 -2.280 251 H ALA 36 H ALA 36 8.181 4.015 4.392 252 HA ALA 36 HA ALA 36 5.500 3.845 4.930 253 1HB ALA 36 1HB ALA 36 6.165 2.994 7.174 254 2HB ALA 36 2HB ALA 36 7.111 2.305 5.847 255 3HB ALA 36 3HB ALA 36 7.822 3.563 6.882 256 HA PRO 37 HA PRO 37 5.382 7.463 8.065 257 1HB PRO 37 1HB PRO 37 7.304 9.439 7.961 258 2HB PRO 37 2HB PRO 37 7.342 8.040 9.076 259 1HG PRO 37 1HG PRO 37 8.751 8.345 6.417 260 2HG PRO 37 2HG PRO 37 9.427 7.743 7.963 261 1HD PRO 37 1HD PRO 37 8.611 6.025 6.056 262 2HD PRO 37 2HD PRO 37 8.284 5.681 7.772 263 H VAL 38 H VAL 38 6.830 8.046 4.777 264 HA VAL 38 HA VAL 38 5.272 10.431 4.299 265 HB VAL 38 HB VAL 38 7.220 8.847 2.920 266 1HG1 VAL 38 1HG1 VAL 38 5.484 7.962 1.443 267 2HG1 VAL 38 2HG1 VAL 38 4.894 9.607 1.116 268 3HG1 VAL 38 3HG1 VAL 38 6.509 9.110 0.580 269 1HG2 VAL 38 1HG2 VAL 38 7.634 10.942 1.734 270 2HG2 VAL 38 2HG2 VAL 38 6.100 11.604 2.343 271 3HG2 VAL 38 3HG2 VAL 38 7.418 11.212 3.468 272 H LEU 39 H LEU 39 4.657 6.933 3.923 273 HA LEU 39 HA LEU 39 2.120 7.211 2.705 274 1HB LEU 39 1HB LEU 39 3.590 4.935 4.057 275 2HB LEU 39 2HB LEU 39 2.049 4.749 3.269 276 HG LEU 39 HG LEU 39 4.585 5.707 1.894 277 1HD1 LEU 39 1HD1 LEU 39 3.215 3.003 1.909 278 2HD1 LEU 39 2HD1 LEU 39 4.540 3.446 0.813 279 3HD1 LEU 39 3HD1 LEU 39 4.817 3.399 2.553 280 1HD2 LEU 39 1HD2 LEU 39 2.792 6.620 0.661 281 2HD2 LEU 39 2HD2 LEU 39 3.421 5.233 -0.214 282 3HD2 LEU 39 3HD2 LEU 39 1.899 5.069 0.692 283 H GLU 40 H GLU 40 3.186 7.525 6.002 284 HA GLU 40 HA GLU 40 0.529 7.076 7.176 285 1HB GLU 40 1HB GLU 40 3.177 7.234 8.197 286 2HB GLU 40 2HB GLU 40 2.401 8.704 8.759 287 1HG GLU 40 1HG GLU 40 2.030 7.077 10.455 288 2HG GLU 40 2HG GLU 40 0.485 7.205 9.605 289 H GLU 41 H GLU 41 2.702 9.867 6.362 290 HA GLU 41 HA GLU 41 0.777 11.920 6.788 291 1HB GLU 41 1HB GLU 41 3.369 12.015 6.335 292 2HB GLU 41 2HB GLU 41 2.905 12.010 4.633 293 1HG GLU 41 1HG GLU 41 1.263 13.994 5.515 294 2HG GLU 41 2HG GLU 41 2.511 14.115 6.753 295 H PHE 42 H PHE 42 1.269 9.716 4.081 296 HA PHE 42 HA PHE 42 -0.602 10.863 2.208 297 1HB PHE 42 1HB PHE 42 1.097 9.108 1.654 298 2HB PHE 42 2HB PHE 42 0.212 7.970 2.653 299 HD1 PHE 42 1HD PHE 42 -0.230 10.173 -0.309 300 HD2 PHE 42 2HD PHE 42 -1.336 6.515 1.684 301 HE1 PHE 42 1HE PHE 42 -1.748 9.603 -2.186 302 HE2 PHE 42 2HE PHE 42 -2.827 5.936 -0.228 303 HZ PHE 42 HZ PHE 42 -3.067 7.571 -2.128 304 H ALA 43 H ALA 43 -1.045 8.086 4.502 305 HA ALA 43 HA ALA 43 -3.791 7.901 4.094 306 1HB ALA 43 1HB ALA 43 -3.794 6.644 6.243 307 2HB ALA 43 2HB ALA 43 -2.300 6.247 5.353 308 3HB ALA 43 3HB ALA 43 -2.252 7.382 6.708 309 H GLU 44 H GLU 44 -2.087 9.881 6.528 310 HA GLU 44 HA GLU 44 -4.244 10.829 8.009 311 1HB GLU 44 1HB GLU 44 -1.837 11.108 8.505 312 2HB GLU 44 2HB GLU 44 -1.694 12.277 7.184 313 1HG GLU 44 1HG GLU 44 -3.230 13.815 8.364 314 2HG GLU 44 2HG GLU 44 -3.485 12.608 9.633 315 H ALA 45 H ALA 45 -3.189 11.872 4.789 316 HA ALA 45 HA ALA 45 -4.769 14.314 4.804 317 1HB ALA 45 1HB ALA 45 -3.464 12.828 2.480 318 2HB ALA 45 2HB ALA 45 -4.084 14.491 2.452 319 3HB ALA 45 3HB ALA 45 -2.694 14.080 3.480 320 H HIS 46 H HIS 46 -5.644 11.012 4.294 321 HA HIS 46 HA HIS 46 -8.371 11.700 3.558 322 1HB HIS 46 1HB HIS 46 -8.189 10.174 1.495 323 2HB HIS 46 2HB HIS 46 -7.546 11.812 1.348 324 HD1 HIS 46 1HD HIS 46 -6.128 8.381 2.270 325 HD2 HIS 46 2HD HIS 46 -5.076 12.010 0.467 326 HE1 HIS 46 1HE HIS 46 -3.656 8.164 1.415 327 HE2 HIS 46 2HE HIS 46 -3.111 10.522 0.328 328 H ALA 47 H ALA 47 -7.927 10.656 5.849 329 HA ALA 47 HA ALA 47 -6.918 8.129 6.159 330 1HB ALA 47 1HB ALA 47 -8.028 8.123 8.353 331 2HB ALA 47 2HB ALA 47 -7.325 9.713 7.988 332 3HB ALA 47 3HB ALA 47 -9.083 9.453 7.841 333 H ASP 48 H ASP 48 -10.268 8.905 5.395 334 HA ASP 48 HA ASP 48 -10.939 6.002 5.233 335 1HB ASP 48 1HB ASP 48 -12.534 8.350 6.306 336 2HB ASP 48 2HB ASP 48 -13.199 6.735 6.051 337 H LYS 49 H LYS 49 -10.627 8.670 3.165 338 HA LYS 49 HA LYS 49 -12.785 7.882 1.338 339 1HB LYS 49 1HB LYS 49 -11.659 10.067 1.030 340 2HB LYS 49 2HB LYS 49 -10.117 9.246 0.735 341 1HG LYS 49 1HG LYS 49 -10.967 8.152 -1.258 342 2HG LYS 49 2HG LYS 49 -12.598 8.746 -0.968 343 1HD LYS 49 1HD LYS 49 -10.222 10.565 -1.582 344 2HD LYS 49 2HD LYS 49 -11.260 9.836 -2.812 345 1HE LYS 49 1HE LYS 49 -13.252 10.891 -1.534 346 2HE LYS 49 2HE LYS 49 -12.028 11.878 -0.708 347 1HZ LYS 49 1HZ LYS 49 -12.834 13.038 -2.678 348 2HZ LYS 49 2HZ LYS 49 -11.287 12.528 -3.019 349 3HZ LYS 49 3HZ LYS 49 -12.532 11.746 -3.645 350 H VAL 50 H VAL 50 -9.493 6.879 2.144 351 HA VAL 50 HA VAL 50 -9.728 4.570 0.294 352 HB VAL 50 HB VAL 50 -7.356 4.554 0.019 353 1HG1 VAL 50 1HG1 VAL 50 -8.141 7.480 -0.251 354 2HG1 VAL 50 2HG1 VAL 50 -6.900 6.587 -1.158 355 3HG1 VAL 50 3HG1 VAL 50 -8.607 6.208 -1.398 356 1HG2 VAL 50 1HG2 VAL 50 -5.837 6.237 1.021 357 2HG2 VAL 50 2HG2 VAL 50 -7.194 6.783 2.046 358 3HG2 VAL 50 3HG2 VAL 50 -6.556 5.147 2.211 359 H THR 51 H THR 51 -8.443 2.652 1.198 360 HA THR 51 HA THR 51 -8.520 2.524 4.098 361 HB THR 51 HB THR 51 -10.486 1.549 3.521 362 HG1 THR 51 1HG THR 51 -10.147 -0.717 3.963 363 1HG2 THR 51 1HG2 THR 51 -10.709 -0.283 1.804 364 2HG2 THR 51 2HG2 THR 51 -10.533 1.382 1.227 365 3HG2 THR 51 3HG2 THR 51 -9.160 0.276 1.181 366 H VAL 52 H VAL 52 -6.455 3.137 3.972 367 HA VAL 52 HA VAL 52 -4.491 1.493 2.473 368 HB VAL 52 HB VAL 52 -4.142 3.729 2.199 369 1HG1 VAL 52 1HG1 VAL 52 -3.931 4.342 5.139 370 2HG1 VAL 52 2HG1 VAL 52 -3.814 5.473 3.771 371 3HG1 VAL 52 3HG1 VAL 52 -5.351 4.716 4.141 372 1HG2 VAL 52 1HG2 VAL 52 -1.997 3.102 4.234 373 2HG2 VAL 52 2HG2 VAL 52 -2.017 2.468 2.575 374 3HG2 VAL 52 3HG2 VAL 52 -1.899 4.210 2.858 375 H ALA 53 H ALA 53 -2.544 0.614 3.564 376 HA ALA 53 HA ALA 53 -2.730 0.356 6.425 377 1HB ALA 53 1HB ALA 53 -3.022 -2.053 6.438 378 2HB ALA 53 2HB ALA 53 -4.358 -1.379 5.523 379 3HB ALA 53 3HB ALA 53 -2.998 -2.114 4.648 380 H LYS 54 H LYS 54 -0.917 -1.328 7.108 381 HA LYS 54 HA LYS 54 1.319 -1.305 5.201 382 1HB LYS 54 1HB LYS 54 1.561 -0.589 8.167 383 2HB LYS 54 2HB LYS 54 2.893 -0.724 7.016 384 1HG LYS 54 1HG LYS 54 2.062 1.259 5.802 385 2HG LYS 54 2HG LYS 54 0.716 1.419 6.927 386 1HD LYS 54 1HD LYS 54 2.056 2.190 8.649 387 2HD LYS 54 2HD LYS 54 3.454 1.236 8.147 388 1HE LYS 54 1HE LYS 54 3.865 3.623 7.855 389 2HE LYS 54 2HE LYS 54 3.952 2.743 6.311 390 1HZ LYS 54 1HZ LYS 54 1.803 3.629 5.764 391 2HZ LYS 54 2HZ LYS 54 1.633 4.280 7.285 392 3HZ LYS 54 3HZ LYS 54 2.804 4.870 6.286 393 H LEU 55 H LEU 55 2.645 -3.061 5.213 394 HA LEU 55 HA LEU 55 2.666 -4.738 7.580 395 1HB LEU 55 1HB LEU 55 2.020 -6.815 6.406 396 2HB LEU 55 2HB LEU 55 0.741 -5.649 6.717 397 HG LEU 55 HG LEU 55 0.528 -5.071 4.425 398 1HD1 LEU 55 1HD1 LEU 55 2.916 -6.897 3.899 399 2HD1 LEU 55 2HD1 LEU 55 1.775 -6.327 2.666 400 3HD1 LEU 55 3HD1 LEU 55 2.766 -5.154 3.527 401 1HD2 LEU 55 1HD2 LEU 55 -0.586 -7.187 5.266 402 2HD2 LEU 55 2HD2 LEU 55 -0.201 -7.229 3.541 403 3HD2 LEU 55 3HD2 LEU 55 0.812 -8.086 4.719 404 H ASN 56 H ASN 56 4.073 -6.615 7.409 405 HA ASN 56 HA ASN 56 6.605 -5.889 6.091 406 1HB ASN 56 1HB ASN 56 6.682 -6.272 8.491 407 2HB ASN 56 2HB ASN 56 5.787 -7.790 8.337 408 1HD2 ASN 56 1HD2 ASN 56 7.446 -8.947 9.490 409 2HD2 ASN 56 2HD2 ASN 56 8.981 -9.292 8.683 410 H VAL 57 H VAL 57 6.719 -6.691 4.045 411 HA VAL 57 HA VAL 57 5.089 -8.809 3.115 412 HB VAL 57 HB VAL 57 6.047 -6.832 1.900 413 1HG1 VAL 57 1HG1 VAL 57 8.441 -8.688 1.521 414 2HG1 VAL 57 2HG1 VAL 57 8.068 -7.330 0.475 415 3HG1 VAL 57 3HG1 VAL 57 8.424 -7.035 2.185 416 1HG2 VAL 57 1HG2 VAL 57 6.190 -9.464 0.428 417 2HG2 VAL 57 2HG2 VAL 57 4.684 -8.636 0.869 418 3HG2 VAL 57 3HG2 VAL 57 5.826 -7.861 -0.230 419 H ASP 58 H ASP 58 8.216 -8.909 4.651 420 HA ASP 58 HA ASP 58 9.188 -11.435 3.664 421 1HB ASP 58 1HB ASP 58 10.416 -9.554 4.860 422 2HB ASP 58 2HB ASP 58 9.668 -10.129 6.343 423 H GLU 59 H GLU 59 6.814 -10.452 5.904 424 HA GLU 59 HA GLU 59 6.601 -13.077 7.295 425 1HB GLU 59 1HB GLU 59 7.261 -11.223 8.612 426 2HB GLU 59 2HB GLU 59 5.944 -10.226 7.979 427 1HG GLU 59 1HG GLU 59 4.299 -11.528 9.199 428 2HG GLU 59 2HG GLU 59 5.563 -12.632 9.771 429 H ASN 60 H ASN 60 4.860 -10.841 5.246 430 HA ASN 60 HA ASN 60 2.379 -12.470 5.434 431 1HB ASN 60 1HB ASN 60 1.713 -10.267 5.584 432 2HB ASN 60 2HB ASN 60 2.970 -9.673 4.505 433 1HD2 ASN 60 1HD2 ASN 60 0.380 -12.233 4.000 434 2HD2 ASN 60 2HD2 ASN 60 -0.233 -11.448 2.551 435 HA PRO 61 HA PRO 61 4.010 -14.182 1.499 436 1HB PRO 61 1HB PRO 61 3.105 -16.741 1.820 437 2HB PRO 61 2HB PRO 61 4.635 -16.149 2.535 438 1HG PRO 61 1HG PRO 61 1.918 -16.358 3.880 439 2HG PRO 61 2HG PRO 61 3.500 -16.953 4.483 440 1HD PRO 61 1HD PRO 61 2.502 -14.569 5.294 441 2HD PRO 61 2HD PRO 61 4.238 -14.757 4.974 442 H GLU 62 H GLU 62 0.752 -14.215 3.078 443 HA GLU 62 HA GLU 62 -0.578 -15.270 0.769 444 1HB GLU 62 1HB GLU 62 -1.327 -15.492 3.145 445 2HB GLU 62 2HB GLU 62 -1.803 -13.779 3.107 446 1HG GLU 62 1HG GLU 62 -3.396 -14.209 1.312 447 2HG GLU 62 2HG GLU 62 -2.824 -15.871 1.143 448 H THR 63 H THR 63 -0.462 -14.172 -1.014 449 HA THR 63 HA THR 63 -1.483 -12.824 -2.571 450 HB THR 63 HB THR 63 -1.318 -10.377 -0.803 451 HG1 THR 63 1HG THR 63 -2.613 -11.718 0.234 452 1HG2 THR 63 1HG2 THR 63 -2.905 -11.075 -3.313 453 2HG2 THR 63 2HG2 THR 63 -3.164 -9.614 -2.344 454 3HG2 THR 63 3HG2 THR 63 -1.610 -9.857 -3.152 455 H THR 64 H THR 64 1.150 -11.960 -0.503 456 HA THR 64 HA THR 64 2.901 -10.650 -2.275 457 HB THR 64 HB THR 64 3.378 -12.680 -0.073 458 HG1 THR 64 1HG THR 64 3.394 -11.033 1.212 459 1HG2 THR 64 1HG2 THR 64 5.437 -12.611 -1.386 460 2HG2 THR 64 2HG2 THR 64 5.453 -10.839 -1.298 461 3HG2 THR 64 3HG2 THR 64 5.645 -11.805 0.174 462 H SER 65 H SER 65 2.479 -14.159 -1.633 463 HA SER 65 HA SER 65 4.138 -15.001 -3.812 464 1HB SER 65 1HB SER 65 3.638 -16.335 -1.754 465 2HB SER 65 2HB SER 65 1.970 -16.543 -2.332 466 HG SER 65 HG SER 65 3.093 -17.316 -4.343 467 H GLN 66 H GLN 66 1.005 -13.565 -4.021 468 HA GLN 66 HA GLN 66 0.174 -15.206 -6.311 469 1HB GLN 66 1HB GLN 66 -1.446 -14.426 -4.609 470 2HB GLN 66 2HB GLN 66 -1.095 -12.759 -5.015 471 1HG GLN 66 1HG GLN 66 -3.191 -13.514 -6.038 472 2HG GLN 66 2HG GLN 66 -2.022 -12.956 -7.222 473 1HE2 GLN 66 1HE2 GLN 66 -0.828 -14.613 -8.502 474 2HE2 GLN 66 2HE2 GLN 66 -1.667 -16.147 -8.805 475 H PHE 67 H PHE 67 1.550 -11.982 -5.554 476 HA PHE 67 HA PHE 67 1.645 -11.414 -8.487 477 1HB PHE 67 1HB PHE 67 1.344 -9.604 -6.090 478 2HB PHE 67 2HB PHE 67 1.577 -9.035 -7.737 479 HD1 PHE 67 1HD PHE 67 -0.187 -9.679 -9.513 480 HD2 PHE 67 2HD PHE 67 -0.813 -10.130 -5.275 481 HE1 PHE 67 1HE PHE 67 -2.641 -9.733 -9.879 482 HE2 PHE 67 2HE PHE 67 -3.271 -10.177 -5.643 483 HZ PHE 67 HZ PHE 67 -4.187 -9.980 -7.946 484 H GLY 68 H GLY 68 3.777 -12.420 -6.111 485 1HA GLY 68 1HA GLY 68 6.057 -12.659 -6.291 486 2HA GLY 68 2HA GLY 68 6.007 -11.755 -7.812 487 H ILE 69 H ILE 69 4.863 -10.756 -4.616 488 HA ILE 69 HA ILE 69 5.855 -8.091 -5.032 489 HB ILE 69 HB ILE 69 4.509 -9.414 -2.680 490 1HG1 ILE 69 1HG1 ILE 69 3.031 -9.640 -4.552 491 2HG1 ILE 69 2HG1 ILE 69 2.409 -8.339 -3.552 492 1HG2 ILE 69 1HG2 ILE 69 4.111 -6.475 -3.102 493 2HG2 ILE 69 2HG2 ILE 69 3.962 -7.519 -1.705 494 3HG2 ILE 69 3HG2 ILE 69 5.561 -7.051 -2.261 495 1HD1 ILE 69 1HD1 ILE 69 3.698 -6.720 -5.151 496 2HD1 ILE 69 2HD1 ILE 69 3.868 -8.120 -6.211 497 3HD1 ILE 69 3HD1 ILE 69 2.251 -7.522 -5.773 498 H MET 70 H MET 70 8.133 -8.616 -5.213 499 HA MET 70 HA MET 70 9.493 -8.451 -2.556 500 1HB MET 70 1HB MET 70 11.459 -9.301 -3.691 501 2HB MET 70 2HB MET 70 10.099 -10.406 -3.884 502 1HG MET 70 1HG MET 70 9.722 -9.532 -6.174 503 2HG MET 70 2HG MET 70 11.080 -8.418 -5.978 504 1HE MET 70 1HE MET 70 10.530 -10.588 -8.348 505 2HE MET 70 2HE MET 70 11.850 -9.393 -8.357 506 3HE MET 70 3HE MET 70 12.204 -11.112 -8.645 507 H SER 71 H SER 71 8.491 -6.479 -5.082 508 HA SER 71 HA SER 71 10.832 -4.977 -5.669 509 1HB SER 71 1HB SER 71 7.895 -4.341 -6.168 510 2HB SER 71 2HB SER 71 9.287 -3.750 -7.095 511 HG SER 71 HG SER 71 9.636 -5.852 -7.819 512 H ILE 72 H ILE 72 10.406 -4.869 -2.809 513 HA ILE 72 HA ILE 72 8.735 -2.718 -2.187 514 HB ILE 72 HB ILE 72 9.364 -3.081 0.148 515 1HG1 ILE 72 1HG1 ILE 72 11.320 -5.153 -0.935 516 2HG1 ILE 72 2HG1 ILE 72 11.725 -3.649 -0.093 517 1HG2 ILE 72 1HG2 ILE 72 8.804 -5.707 -1.266 518 2HG2 ILE 72 2HG2 ILE 72 8.197 -5.111 0.302 519 3HG2 ILE 72 3HG2 ILE 72 7.624 -4.383 -1.188 520 1HD1 ILE 72 1HD1 ILE 72 11.838 -5.301 1.574 521 2HD1 ILE 72 2HD1 ILE 72 10.275 -4.525 1.848 522 3HD1 ILE 72 3HD1 ILE 72 10.355 -6.103 1.032 523 HA PRO 73 HA PRO 73 8.513 -1.145 -0.179 524 1HB PRO 73 1HB PRO 73 7.804 1.455 -0.452 525 2HB PRO 73 2HB PRO 73 8.968 0.872 0.752 526 1HG PRO 73 1HG PRO 73 9.537 2.097 -1.964 527 2HG PRO 73 2HG PRO 73 10.330 2.494 -0.412 528 1HD PRO 73 1HD PRO 73 11.443 0.786 -2.242 529 2HD PRO 73 2HD PRO 73 11.641 0.520 -0.490 530 H THR 74 H THR 74 6.623 -1.764 -1.065 531 HA THR 74 HA THR 74 5.909 -0.752 -3.781 532 HB THR 74 HB THR 74 5.205 -3.495 -2.684 533 HG1 THR 74 1HG THR 74 7.425 -2.640 -4.119 534 1HG2 THR 74 1HG2 THR 74 4.841 -2.256 -5.427 535 2HG2 THR 74 2HG2 THR 74 4.639 -3.982 -5.054 536 3HG2 THR 74 3HG2 THR 74 3.584 -2.782 -4.297 537 H LEU 75 H LEU 75 3.830 -0.129 -4.084 538 HA LEU 75 HA LEU 75 1.839 -0.265 -1.880 539 1HB LEU 75 1HB LEU 75 3.081 2.015 -2.175 540 2HB LEU 75 2HB LEU 75 2.089 2.127 -3.624 541 HG LEU 75 HG LEU 75 0.128 1.294 -1.977 542 1HD1 LEU 75 1HD1 LEU 75 2.079 2.645 -0.061 543 2HD1 LEU 75 2HD1 LEU 75 0.395 2.220 0.312 544 3HD1 LEU 75 3HD1 LEU 75 1.577 0.950 -0.009 545 1HD2 LEU 75 1HD2 LEU 75 1.291 4.067 -1.992 546 2HD2 LEU 75 2HD2 LEU 75 0.152 3.364 -3.185 547 3HD2 LEU 75 3HD2 LEU 75 -0.372 3.638 -1.502 548 H ILE 76 H ILE 76 0.245 -1.599 -2.875 549 HA ILE 76 HA ILE 76 -0.278 -1.085 -5.774 550 HB ILE 76 HB ILE 76 -0.630 -3.665 -4.268 551 1HG1 ILE 76 1HG1 ILE 76 0.834 -3.589 -6.878 552 2HG1 ILE 76 2HG1 ILE 76 1.657 -2.716 -5.602 553 1HG2 ILE 76 1HG2 ILE 76 -2.527 -3.400 -5.829 554 2HG2 ILE 76 2HG2 ILE 76 -1.420 -2.955 -7.140 555 3HG2 ILE 76 3HG2 ILE 76 -1.403 -4.598 -6.471 556 1HD1 ILE 76 1HD1 ILE 76 1.837 -4.680 -4.263 557 2HD1 ILE 76 2HD1 ILE 76 0.718 -5.590 -5.323 558 3HD1 ILE 76 3HD1 ILE 76 2.320 -5.084 -5.913 559 H LEU 77 H LEU 77 -2.294 -0.774 -6.363 560 HA LEU 77 HA LEU 77 -4.172 0.112 -4.255 561 1HB LEU 77 1HB LEU 77 -3.071 1.724 -5.919 562 2HB LEU 77 2HB LEU 77 -4.051 0.972 -7.158 563 HG LEU 77 HG LEU 77 -4.801 2.807 -4.896 564 1HD1 LEU 77 1HD1 LEU 77 -5.862 4.076 -6.649 565 2HD1 LEU 77 2HD1 LEU 77 -4.278 3.579 -7.244 566 3HD1 LEU 77 3HD1 LEU 77 -5.726 2.740 -7.795 567 1HD2 LEU 77 1HD2 LEU 77 -6.839 0.958 -6.178 568 2HD2 LEU 77 2HD2 LEU 77 -6.453 1.143 -4.456 569 3HD2 LEU 77 3HD2 LEU 77 -7.237 2.453 -5.321 570 H PHE 78 H PHE 78 -5.853 -1.115 -4.033 571 HA PHE 78 HA PHE 78 -7.010 -2.502 -6.361 572 1HB PHE 78 1HB PHE 78 -7.150 -3.879 -3.682 573 2HB PHE 78 2HB PHE 78 -7.381 -4.530 -5.227 574 HD1 PHE 78 1HD PHE 78 -4.620 -3.138 -3.041 575 HD2 PHE 78 2HD PHE 78 -5.759 -6.020 -6.050 576 HE1 PHE 78 1HE PHE 78 -2.505 -4.342 -2.689 577 HE2 PHE 78 2HE PHE 78 -3.604 -7.191 -5.726 578 HZ PHE 78 HZ PHE 78 -1.981 -6.379 -4.026 579 H LYS 79 H LYS 79 -9.353 -3.316 -5.717 580 HA LYS 79 HA LYS 79 -10.396 -2.476 -3.198 581 1HB LYS 79 1HB LYS 79 -12.217 -1.115 -3.811 582 2HB LYS 79 2HB LYS 79 -10.798 -0.354 -4.490 583 1HG LYS 79 1HG LYS 79 -11.701 -1.911 -6.629 584 2HG LYS 79 2HG LYS 79 -13.202 -1.526 -5.787 585 1HD LYS 79 1HD LYS 79 -12.835 0.134 -7.470 586 2HD LYS 79 2HD LYS 79 -12.537 0.920 -5.910 587 1HE LYS 79 1HE LYS 79 -10.422 1.441 -6.544 588 2HE LYS 79 2HE LYS 79 -10.063 -0.283 -6.764 589 1HZ LYS 79 1HZ LYS 79 -9.693 0.939 -8.800 590 2HZ LYS 79 2HZ LYS 79 -10.861 -0.196 -8.974 591 3HZ LYS 79 3HZ LYS 79 -11.299 1.386 -8.878 592 H GLY 80 H GLY 80 -12.209 -3.883 -2.708 593 1HA GLY 80 1HA GLY 80 -13.191 -5.942 -2.865 594 2HA GLY 80 2HA GLY 80 -13.993 -5.153 -4.210 595 H GLY 81 H GLY 81 -10.675 -6.445 -3.864 596 1HA GLY 81 1HA GLY 81 -9.688 -8.347 -4.719 597 2HA GLY 81 2HA GLY 81 -11.161 -8.729 -5.604 598 H GLU 82 H GLU 82 -10.701 -5.618 -6.753 599 HA GLU 82 HA GLU 82 -9.159 -6.667 -9.014 600 1HB GLU 82 1HB GLU 82 -9.955 -4.813 -10.213 601 2HB GLU 82 2HB GLU 82 -11.268 -5.814 -9.639 602 1HG GLU 82 1HG GLU 82 -12.178 -4.113 -8.376 603 2HG GLU 82 2HG GLU 82 -10.636 -3.326 -8.077 604 HA PRO 83 HA PRO 83 -5.827 -3.768 -7.734 605 1HB PRO 83 1HB PRO 83 -3.939 -4.570 -9.520 606 2HB PRO 83 2HB PRO 83 -4.276 -5.491 -8.027 607 1HG PRO 83 1HG PRO 83 -5.288 -6.041 -10.827 608 2HG PRO 83 2HG PRO 83 -4.620 -7.203 -9.642 609 1HD PRO 83 1HD PRO 83 -7.315 -6.788 -10.041 610 2HD PRO 83 2HD PRO 83 -6.643 -7.296 -8.463 611 H VAL 84 H VAL 84 -5.388 -1.731 -8.764 612 HA VAL 84 HA VAL 84 -6.218 -1.470 -11.612 613 HB VAL 84 HB VAL 84 -6.406 1.024 -10.764 614 1HG1 VAL 84 1HG1 VAL 84 -8.150 -0.309 -11.931 615 2HG1 VAL 84 2HG1 VAL 84 -8.646 -0.999 -10.379 616 3HG1 VAL 84 3HG1 VAL 84 -8.829 0.751 -10.700 617 1HG2 VAL 84 1HG2 VAL 84 -7.478 1.323 -8.645 618 2HG2 VAL 84 2HG2 VAL 84 -7.383 -0.417 -8.286 619 3HG2 VAL 84 3HG2 VAL 84 -5.903 0.553 -8.400 620 H LYS 85 H LYS 85 -3.753 -0.360 -9.159 621 HA LYS 85 HA LYS 85 -1.769 -0.553 -11.161 622 1HB LYS 85 1HB LYS 85 -0.938 1.826 -11.070 623 2HB LYS 85 2HB LYS 85 -2.318 1.494 -12.079 624 1HG LYS 85 1HG LYS 85 -3.839 2.501 -10.405 625 2HG LYS 85 2HG LYS 85 -2.443 2.865 -9.360 626 1HD LYS 85 1HD LYS 85 -1.477 4.318 -11.060 627 2HD LYS 85 2HD LYS 85 -2.659 3.783 -12.266 628 1HE LYS 85 1HE LYS 85 -4.486 4.802 -10.855 629 2HE LYS 85 2HE LYS 85 -3.226 5.469 -9.800 630 1HZ LYS 85 1HZ LYS 85 -3.596 6.117 -12.663 631 2HZ LYS 85 2HZ LYS 85 -3.875 7.093 -11.366 632 3HZ LYS 85 3HZ LYS 85 -2.333 6.642 -11.707 633 H GLN 86 H GLN 86 0.361 0.323 -10.272 634 HA GLN 86 HA GLN 86 0.596 -0.141 -7.396 635 1HB GLN 86 1HB GLN 86 2.121 -1.886 -7.666 636 2HB GLN 86 2HB GLN 86 0.761 -2.317 -8.724 637 1HG GLN 86 1HG GLN 86 3.480 -1.219 -9.555 638 2HG GLN 86 2HG GLN 86 2.970 -2.887 -9.640 639 1HE2 GLN 86 1HE2 GLN 86 2.410 0.370 -11.056 640 2HE2 GLN 86 2HE2 GLN 86 1.737 -0.289 -12.566 641 H LEU 87 H LEU 87 2.619 0.502 -6.542 642 HA LEU 87 HA LEU 87 4.319 2.269 -8.206 643 1HB LEU 87 1HB LEU 87 3.201 2.863 -5.433 644 2HB LEU 87 2HB LEU 87 4.257 3.920 -6.374 645 HG LEU 87 HG LEU 87 1.435 3.101 -7.182 646 1HD1 LEU 87 1HD1 LEU 87 1.342 4.458 -5.196 647 2HD1 LEU 87 2HD1 LEU 87 2.373 5.696 -5.964 648 3HD1 LEU 87 3HD1 LEU 87 0.752 5.352 -6.610 649 1HD2 LEU 87 1HD2 LEU 87 3.122 5.375 -8.296 650 2HD2 LEU 87 2HD2 LEU 87 3.025 3.784 -9.074 651 3HD2 LEU 87 3HD2 LEU 87 1.563 4.731 -8.887 652 H ILE 88 H ILE 88 6.480 2.182 -7.593 653 HA ILE 88 HA ILE 88 7.283 0.312 -5.494 654 HB ILE 88 HB ILE 88 8.854 -0.702 -7.191 655 1HG1 ILE 88 1HG1 ILE 88 8.417 0.870 -9.118 656 2HG1 ILE 88 2HG1 ILE 88 8.446 -0.850 -9.459 657 1HG2 ILE 88 1HG2 ILE 88 7.244 -2.437 -7.866 658 2HG2 ILE 88 2HG2 ILE 88 7.093 -1.955 -6.170 659 3HG2 ILE 88 3HG2 ILE 88 5.907 -1.383 -7.359 660 1HD1 ILE 88 1HD1 ILE 88 6.755 0.226 -10.788 661 2HD1 ILE 88 2HD1 ILE 88 5.990 -0.900 -9.665 662 3HD1 ILE 88 3HD1 ILE 88 5.930 0.854 -9.363 663 H GLY 89 H GLY 89 9.036 1.013 -4.505 664 1HA GLY 89 1HA GLY 89 11.117 2.126 -4.240 665 2HA GLY 89 2HA GLY 89 10.865 2.999 -5.762 666 H TYR 90 H TYR 90 11.680 4.334 -3.484 667 HA TYR 90 HA TYR 90 9.494 5.402 -1.955 668 1HB TYR 90 1HB TYR 90 11.687 5.035 -0.996 669 2HB TYR 90 2HB TYR 90 12.398 6.181 -2.124 670 HD1 TYR 90 1HD TYR 90 9.125 7.247 -0.767 671 HD2 TYR 90 2HD TYR 90 13.396 7.198 -0.062 672 HE1 TYR 90 1HE TYR 90 8.853 8.923 0.983 673 HE2 TYR 90 2HE TYR 90 13.104 8.930 1.695 674 HH TYR 90 HH TYR 90 10.237 9.348 3.194 675 H GLN 91 H GLN 91 8.251 6.046 -3.909 676 HA GLN 91 HA GLN 91 8.979 8.609 -5.100 677 1HB GLN 91 1HB GLN 91 6.112 7.648 -4.955 678 2HB GLN 91 2HB GLN 91 6.910 8.618 -6.170 679 1HG GLN 91 1HG GLN 91 7.308 5.627 -5.762 680 2HG GLN 91 2HG GLN 91 6.396 6.402 -7.039 681 1HE2 GLN 91 1HE2 GLN 91 7.528 7.349 -8.859 682 2HE2 GLN 91 2HE2 GLN 91 9.262 7.099 -9.021 683 HA PRO 92 HA PRO 92 7.797 10.901 -1.449 684 1HB PRO 92 1HB PRO 92 7.526 13.460 -2.417 685 2HB PRO 92 2HB PRO 92 9.106 12.631 -2.292 686 1HG PRO 92 1HG PRO 92 7.287 12.819 -4.715 687 2HG PRO 92 2HG PRO 92 9.036 13.210 -4.623 688 1HD PRO 92 1HD PRO 92 8.200 10.785 -5.511 689 2HD PRO 92 2HD PRO 92 9.632 10.912 -4.447 690 H LYS 93 H LYS 93 6.061 12.374 -0.615 691 HA LYS 93 HA LYS 93 3.531 11.324 -0.862 692 1HB LYS 93 1HB LYS 93 4.814 13.637 0.423 693 2HB LYS 93 2HB LYS 93 3.221 14.093 -0.140 694 1HG LYS 93 1HG LYS 93 3.791 11.628 1.540 695 2HG LYS 93 2HG LYS 93 3.321 13.174 2.214 696 1HD LYS 93 1HD LYS 93 1.639 11.617 0.199 697 2HD LYS 93 2HD LYS 93 1.504 11.466 1.930 698 1HE LYS 93 1HE LYS 93 1.085 14.092 0.449 699 2HE LYS 93 2HE LYS 93 -0.215 12.946 0.796 700 1HZ LYS 93 1HZ LYS 93 1.413 14.321 2.859 701 2HZ LYS 93 2HZ LYS 93 -0.125 14.678 2.433 702 3HZ LYS 93 3HZ LYS 93 0.188 13.244 3.156 703 H GLU 94 H GLU 94 4.789 14.202 -2.543 704 HA GLU 94 HA GLU 94 2.483 15.032 -3.879 705 1HB GLU 94 1HB GLU 94 5.402 15.095 -4.751 706 2HB GLU 94 2HB GLU 94 4.112 16.057 -5.488 707 1HG GLU 94 1HG GLU 94 3.765 17.322 -3.463 708 2HG GLU 94 2HG GLU 94 4.807 16.253 -2.522 709 H GLN 95 H GLN 95 4.776 12.426 -4.764 710 HA GLN 95 HA GLN 95 3.725 12.148 -7.485 711 1HB GLN 95 1HB GLN 95 5.904 10.892 -5.819 712 2HB GLN 95 2HB GLN 95 5.117 9.851 -6.988 713 1HG GLN 95 1HG GLN 95 7.057 10.731 -8.009 714 2HG GLN 95 2HG GLN 95 5.641 11.400 -8.816 715 1HE2 GLN 95 1HE2 GLN 95 8.706 12.232 -7.543 716 2HE2 GLN 95 2HE2 GLN 95 8.368 13.949 -7.365 717 H LEU 96 H LEU 96 3.336 10.673 -4.249 718 HA LEU 96 HA LEU 96 1.853 8.431 -5.092 719 1HB LEU 96 1HB LEU 96 3.046 9.301 -2.769 720 2HB LEU 96 2HB LEU 96 1.395 9.679 -2.429 721 HG LEU 96 HG LEU 96 1.618 7.583 -1.497 722 1HD1 LEU 96 1HD1 LEU 96 0.221 6.061 -2.672 723 2HD1 LEU 96 2HD1 LEU 96 -0.322 7.660 -3.171 724 3HD1 LEU 96 3HD1 LEU 96 0.682 6.709 -4.258 725 1HD2 LEU 96 1HD2 LEU 96 3.219 6.738 -3.940 726 2HD2 LEU 96 2HD2 LEU 96 3.845 7.105 -2.321 727 3HD2 LEU 96 3HD2 LEU 96 2.810 5.690 -2.563 728 H GLU 97 H GLU 97 0.815 11.637 -3.602 729 HA GLU 97 HA GLU 97 -1.954 11.079 -3.841 730 1HB GLU 97 1HB GLU 97 -0.338 13.620 -3.660 731 2HB GLU 97 2HB GLU 97 -2.066 13.522 -3.486 732 1HG GLU 97 1HG GLU 97 -0.090 12.183 -1.616 733 2HG GLU 97 2HG GLU 97 -0.811 13.763 -1.347 734 H ALA 98 H ALA 98 0.462 12.490 -6.082 735 HA ALA 98 HA ALA 98 -1.590 13.390 -7.954 736 1HB ALA 98 1HB ALA 98 0.304 13.701 -9.531 737 2HB ALA 98 2HB ALA 98 0.645 14.442 -7.955 738 3HB ALA 98 3HB ALA 98 1.396 12.889 -8.391 739 H GLN 99 H GLN 99 0.676 10.525 -7.958 740 HA GLN 99 HA GLN 99 -0.404 9.543 -10.397 741 1HB GLN 99 1HB GLN 99 1.782 8.864 -9.297 742 2HB GLN 99 2HB GLN 99 0.879 7.945 -8.128 743 1HG GLN 99 1HG GLN 99 1.849 6.663 -10.125 744 2HG GLN 99 2HG GLN 99 0.172 6.340 -9.663 745 1HE2 GLN 99 1HE2 GLN 99 1.941 8.628 -11.902 746 2HE2 GLN 99 2HE2 GLN 99 0.815 8.332 -13.221 747 H LEU 100 H LEU 100 -1.311 9.031 -7.023 748 HA LEU 100 HA LEU 100 -3.323 7.034 -7.765 749 1HB LEU 100 1HB LEU 100 -1.770 7.443 -5.521 750 2HB LEU 100 2HB LEU 100 -3.310 8.094 -5.024 751 HG LEU 100 HG LEU 100 -4.213 5.797 -6.082 752 1HD1 LEU 100 1HD1 LEU 100 -2.506 3.989 -5.790 753 2HD1 LEU 100 2HD1 LEU 100 -1.968 5.167 -7.001 754 3HD1 LEU 100 3HD1 LEU 100 -1.291 5.191 -5.357 755 1HD2 LEU 100 1HD2 LEU 100 -4.109 4.764 -3.939 756 2HD2 LEU 100 2HD2 LEU 100 -2.726 5.763 -3.430 757 3HD2 LEU 100 3HD2 LEU 100 -4.350 6.475 -3.681 758 H ALA 101 H ALA 101 -3.398 10.380 -8.019 759 HA ALA 101 HA ALA 101 -5.544 11.350 -6.697 760 1HB ALA 101 1HB ALA 101 -4.056 12.704 -8.093 761 2HB ALA 101 2HB ALA 101 -4.743 11.978 -9.565 762 3HB ALA 101 3HB ALA 101 -5.752 12.997 -8.516 763 H ASP 102 H ASP 102 -5.795 9.214 -9.604 764 HA ASP 102 HA ASP 102 -8.459 9.792 -10.308 765 1HB ASP 102 1HB ASP 102 -7.464 6.938 -10.414 766 2HB ASP 102 2HB ASP 102 -8.365 7.840 -11.618 767 H VAL 103 H VAL 103 -7.256 8.081 -7.516 768 HA VAL 103 HA VAL 103 -10.028 7.139 -6.941 769 HB VAL 103 HB VAL 103 -7.721 5.602 -7.155 770 1HG1 VAL 103 1HG1 VAL 103 -7.208 4.715 -4.944 771 2HG1 VAL 103 2HG1 VAL 103 -6.760 6.417 -5.069 772 3HG1 VAL 103 3HG1 VAL 103 -8.221 5.934 -4.175 773 1HG2 VAL 103 1HG2 VAL 103 -10.278 4.992 -5.676 774 2HG2 VAL 103 2HG2 VAL 103 -10.003 4.879 -7.423 775 3HG2 VAL 103 3HG2 VAL 103 -9.113 3.807 -6.336 776 H LEU 104 H LEU 104 -7.804 9.548 -6.123 777 HA LEU 104 HA LEU 104 -8.962 9.969 -3.444 778 1HB LEU 104 1HB LEU 104 -6.605 11.018 -5.014 779 2HB LEU 104 2HB LEU 104 -7.239 11.960 -3.753 780 HG LEU 104 HG LEU 104 -5.595 10.922 -2.602 781 1HD1 LEU 104 1HD1 LEU 104 -6.277 9.021 -1.266 782 2HD1 LEU 104 2HD1 LEU 104 -7.648 10.141 -1.431 783 3HD1 LEU 104 3HD1 LEU 104 -7.590 8.637 -2.397 784 1HD2 LEU 104 1HD2 LEU 104 -4.692 8.719 -3.051 785 2HD2 LEU 104 2HD2 LEU 104 -5.964 8.407 -4.259 786 3HD2 LEU 104 3HD2 LEU 104 -4.763 9.697 -4.519 787 H GLN 105 H GLN 105 -9.421 10.842 -6.714 788 HA GLN 105 HA GLN 105 -10.477 13.379 -6.651 789 1HB GLN 105 2HB GLN 105 -10.146 12.174 -8.683 790 2HB GLN 105 3HB GLN 105 -11.276 10.930 -8.190 791 1HG GLN 105 2HG GLN 105 -12.284 12.364 -9.872 792 2HG GLN 105 3HG GLN 105 -13.170 12.533 -8.365 793 1HE2 GLN 105 1HE2 GLN 105 -12.571 14.493 -6.967 794 2HE2 GLN 105 2HE2 GLN 105 -12.172 15.981 -7.860 Start of MODEL 20 1 1H ALA 1 H ALA 1 -10.265 3.691 10.122 2 2H ALA 1 2HN ALA 1 -9.653 2.377 10.930 3 3H ALA 1 3HN ALA 1 -8.662 3.296 10.008 4 HA ALA 1 HA ALA 1 -10.916 1.719 9.031 5 1HB ALA 1 1HB ALA 1 -8.705 3.088 7.445 6 2HB ALA 1 2HB ALA 1 -10.102 2.171 6.813 7 3HB ALA 1 3HB ALA 1 -10.366 3.701 7.646 8 H THR 2 H THR 2 -8.714 0.534 7.082 9 HA THR 2 HA THR 2 -8.572 -1.817 8.572 10 HB THR 2 HB THR 2 -6.785 -1.283 6.208 11 HG1 THR 2 1HG THR 2 -8.632 -0.521 5.441 12 1HG2 THR 2 1HG2 THR 2 -7.302 -3.604 5.658 13 2HG2 THR 2 2HG2 THR 2 -6.680 -3.519 7.316 14 3HG2 THR 2 3HG2 THR 2 -8.422 -3.725 7.029 15 H MET 3 H MET 3 -5.970 0.071 7.542 16 HA MET 3 HA MET 3 -3.726 0.166 8.034 17 1HB MET 3 1HB MET 3 -4.753 1.297 10.098 18 2HB MET 3 2HB MET 3 -4.350 -0.187 10.972 19 1HG MET 3 1HG MET 3 -1.949 0.124 10.238 20 2HG MET 3 2HG MET 3 -2.433 1.571 9.363 21 1HE MET 3 1HE MET 3 -2.217 1.202 13.982 22 2HE MET 3 2HE MET 3 -3.557 0.451 13.089 23 3HE MET 3 3HE MET 3 -1.888 -0.118 12.839 24 H THR 4 H THR 4 -2.788 -1.523 10.520 25 HA THR 4 HA THR 4 -1.308 -3.067 8.962 26 HB THR 4 HB THR 4 -1.783 -3.764 11.844 27 HG1 THR 4 1HG THR 4 -0.245 -2.110 12.209 28 1HG2 THR 4 1HG2 THR 4 -0.183 -5.234 10.636 29 2HG2 THR 4 2HG2 THR 4 0.702 -3.811 10.056 30 3HG2 THR 4 3HG2 THR 4 0.674 -4.205 11.788 31 H LEU 5 H LEU 5 -1.347 -4.923 7.956 32 HA LEU 5 HA LEU 5 -3.602 -6.833 8.255 33 1HB LEU 5 1HB LEU 5 -1.784 -5.833 6.121 34 2HB LEU 5 2HB LEU 5 -2.034 -7.561 6.048 35 HG LEU 5 HG LEU 5 -4.241 -7.393 5.517 36 1HD1 LEU 5 1HD1 LEU 5 -5.244 -6.025 7.210 37 2HD1 LEU 5 2HD1 LEU 5 -4.384 -4.596 6.632 38 3HD1 LEU 5 3HD1 LEU 5 -5.665 -5.345 5.644 39 1HD2 LEU 5 1HD2 LEU 5 -2.958 -4.875 4.353 40 2HD2 LEU 5 2HD2 LEU 5 -2.820 -6.520 3.712 41 3HD2 LEU 5 3HD2 LEU 5 -4.383 -5.683 3.679 42 H THR 6 H THR 6 -2.973 -9.145 7.759 43 HA THR 6 HA THR 6 -0.563 -9.942 9.282 44 HB THR 6 HB THR 6 -2.395 -9.870 10.842 45 HG1 THR 6 1HG THR 6 -2.075 -11.889 11.653 46 1HG2 THR 6 1HG2 THR 6 -3.792 -12.065 9.253 47 2HG2 THR 6 2HG2 THR 6 -4.315 -11.322 10.768 48 3HG2 THR 6 3HG2 THR 6 -4.305 -10.354 9.293 49 H ASP 7 H ASP 7 -3.202 -11.206 7.278 50 HA ASP 7 HA ASP 7 -1.792 -11.936 5.058 51 1HB ASP 7 1HB ASP 7 -1.780 -14.115 7.171 52 2HB ASP 7 2HB ASP 7 -2.250 -14.595 5.549 53 H ALA 8 H ALA 8 -4.148 -13.799 7.041 54 HA ALA 8 HA ALA 8 -6.124 -13.967 5.056 55 1HB ALA 8 1HB ALA 8 -7.677 -14.426 6.930 56 2HB ALA 8 2HB ALA 8 -6.125 -15.258 7.182 57 3HB ALA 8 3HB ALA 8 -6.496 -13.771 8.085 58 H ASN 9 H ASN 9 -5.356 -11.239 7.133 59 HA ASN 9 HA ASN 9 -7.892 -9.885 6.653 60 1HB ASN 9 1HB ASN 9 -6.349 -9.639 8.705 61 2HB ASN 9 2HB ASN 9 -5.478 -8.470 7.702 62 1HD2 ASN 9 1HD2 ASN 9 -7.713 -7.180 6.377 63 2HD2 ASN 9 2HD2 ASN 9 -8.621 -6.372 7.665 64 H PHE 10 H PHE 10 -4.974 -10.328 4.854 65 HA PHE 10 HA PHE 10 -4.975 -7.806 3.410 66 1HB PHE 10 1HB PHE 10 -2.967 -9.264 3.562 67 2HB PHE 10 2HB PHE 10 -3.795 -10.496 2.656 68 HD1 PHE 10 1HD PHE 10 -1.457 -7.856 2.351 69 HD2 PHE 10 2HD PHE 10 -4.647 -9.829 0.191 70 HE1 PHE 10 1HE PHE 10 -0.595 -7.006 0.251 71 HE2 PHE 10 2HE PHE 10 -3.811 -8.896 -1.898 72 HZ PHE 10 HZ PHE 10 -1.762 -7.482 -1.903 73 H GLN 11 H GLN 11 -5.970 -11.129 2.415 74 HA GLN 11 HA GLN 11 -7.544 -10.166 0.236 75 1HB GLN 11 1HB GLN 11 -7.270 -12.809 1.622 76 2HB GLN 11 2HB GLN 11 -8.743 -12.518 0.703 77 1HG GLN 11 1HG GLN 11 -7.395 -11.891 -1.291 78 2HG GLN 11 2HG GLN 11 -5.919 -12.187 -0.377 79 1HE2 GLN 11 1HE2 GLN 11 -5.089 -14.248 -0.688 80 2HE2 GLN 11 2HE2 GLN 11 -6.088 -15.711 -0.956 81 H GLN 12 H GLN 12 -8.538 -10.928 3.657 82 HA GLN 12 HA GLN 12 -11.258 -10.550 3.226 83 1HB GLN 12 1HB GLN 12 -10.088 -11.438 5.288 84 2HB GLN 12 2HB GLN 12 -9.714 -9.757 5.714 85 1HG GLN 12 1HG GLN 12 -12.181 -9.303 5.846 86 2HG GLN 12 2HG GLN 12 -12.468 -11.023 5.539 87 1HE2 GLN 12 1HE2 GLN 12 -11.654 -8.624 7.957 88 2HE2 GLN 12 2HE2 GLN 12 -11.336 -9.773 9.248 89 H ALA 13 H ALA 13 -8.771 -7.997 3.536 90 HA ALA 13 HA ALA 13 -10.756 -5.884 3.658 91 1HB ALA 13 1HB ALA 13 -8.794 -4.398 3.536 92 2HB ALA 13 2HB ALA 13 -8.620 -5.610 4.820 93 3HB ALA 13 3HB ALA 13 -7.731 -5.808 3.291 94 H ILE 14 H ILE 14 -8.233 -6.979 1.257 95 HA ILE 14 HA ILE 14 -9.054 -5.042 -0.643 96 HB ILE 14 HB ILE 14 -7.732 -6.193 -2.278 97 1HG1 ILE 14 1HG1 ILE 14 -6.672 -8.368 -0.598 98 2HG1 ILE 14 2HG1 ILE 14 -8.342 -8.614 -1.119 99 1HG2 ILE 14 1HG2 ILE 14 -6.317 -6.136 0.411 100 2HG2 ILE 14 2HG2 ILE 14 -5.542 -6.124 -1.183 101 3HG2 ILE 14 3HG2 ILE 14 -6.573 -4.769 -0.696 102 1HD1 ILE 14 1HD1 ILE 14 -7.659 -8.230 -3.478 103 2HD1 ILE 14 2HD1 ILE 14 -5.968 -8.072 -2.931 104 3HD1 ILE 14 3HD1 ILE 14 -6.832 -9.611 -2.726 105 H GLN 15 H GLN 15 -10.450 -8.145 0.014 106 HA GLN 15 HA GLN 15 -11.713 -8.725 -2.426 107 1HB GLN 15 1HB GLN 15 -13.189 -10.151 -1.227 108 2HB GLN 15 2HB GLN 15 -11.674 -10.214 -0.354 109 1HG GLN 15 1HG GLN 15 -12.654 -8.469 1.234 110 2HG GLN 15 2HG GLN 15 -14.195 -8.670 0.401 111 1HE2 GLN 15 1HE2 GLN 15 -13.407 -9.208 3.236 112 2HE2 GLN 15 2HE2 GLN 15 -14.127 -10.824 3.465 113 H GLY 16 H GLY 16 -12.570 -6.250 -0.024 114 1HA GLY 16 1HA GLY 16 -14.585 -4.959 -1.559 115 2HA GLY 16 2HA GLY 16 -15.345 -6.143 -0.519 116 H ASP 17 H ASP 17 -13.991 -3.266 -0.780 117 HA ASP 17 HA ASP 17 -14.533 -2.279 1.915 118 1HB ASP 17 1HB ASP 17 -12.263 -3.073 2.288 119 2HB ASP 17 2HB ASP 17 -11.699 -2.357 0.793 120 H GLY 18 H GLY 18 -12.358 -1.247 -0.699 121 1HA GLY 18 1HA GLY 18 -13.654 -0.004 -2.638 122 2HA GLY 18 2HA GLY 18 -13.968 1.114 -1.301 123 HA PRO 19 HA PRO 19 -9.914 2.536 -2.662 124 1HB PRO 19 1HB PRO 19 -9.598 4.747 -1.076 125 2HB PRO 19 2HB PRO 19 -10.870 4.658 -2.311 126 1HG PRO 19 1HG PRO 19 -11.178 4.051 0.643 127 2HG PRO 19 2HG PRO 19 -12.200 5.107 -0.394 128 1HD PRO 19 1HD PRO 19 -12.857 2.537 0.167 129 2HD PRO 19 2HD PRO 19 -13.222 3.299 -1.417 130 H VAL 20 H VAL 20 -8.978 0.413 -1.850 131 HA VAL 20 HA VAL 20 -7.539 0.692 0.716 132 HB VAL 20 HB VAL 20 -7.773 -1.587 -1.284 133 1HG1 VAL 20 1HG1 VAL 20 -6.814 -2.953 0.631 134 2HG1 VAL 20 2HG1 VAL 20 -5.670 -1.767 -0.003 135 3HG1 VAL 20 3HG1 VAL 20 -6.524 -1.453 1.521 136 1HG2 VAL 20 1HG2 VAL 20 -9.066 -1.187 1.450 137 2HG2 VAL 20 2HG2 VAL 20 -9.897 -1.118 -0.112 138 3HG2 VAL 20 3HG2 VAL 20 -9.193 -2.645 0.447 139 H LEU 21 H LEU 21 -5.495 1.269 0.752 140 HA LEU 21 HA LEU 21 -3.804 0.600 -1.615 141 1HB LEU 21 1HB LEU 21 -2.124 2.195 -0.995 142 2HB LEU 21 2HB LEU 21 -3.562 2.881 -1.724 143 HG LEU 21 HG LEU 21 -3.252 2.906 1.270 144 1HD1 LEU 21 1HD1 LEU 21 -2.064 5.047 1.189 145 2HD1 LEU 21 2HD1 LEU 21 -1.113 3.734 0.502 146 3HD1 LEU 21 3HD1 LEU 21 -1.915 4.907 -0.568 147 1HD2 LEU 21 1HD2 LEU 21 -5.403 3.693 0.298 148 2HD2 LEU 21 2HD2 LEU 21 -4.541 4.996 1.113 149 3HD2 LEU 21 3HD2 LEU 21 -4.524 4.895 -0.658 150 H VAL 22 H VAL 22 -2.562 -1.008 -1.299 151 HA VAL 22 HA VAL 22 -2.298 -2.234 1.370 152 HB VAL 22 HB VAL 22 -2.222 -3.111 -1.520 153 1HG1 VAL 22 1HG1 VAL 22 -1.102 -5.196 -1.036 154 2HG1 VAL 22 2HG1 VAL 22 0.005 -3.871 -0.766 155 3HG1 VAL 22 3HG1 VAL 22 -0.759 -4.661 0.630 156 1HG2 VAL 22 1HG2 VAL 22 -3.467 -5.048 -0.537 157 2HG2 VAL 22 2HG2 VAL 22 -3.282 -4.334 1.071 158 3HG2 VAL 22 3HG2 VAL 22 -4.230 -3.496 -0.171 159 H ASP 23 H ASP 23 -0.448 -1.861 2.434 160 HA ASP 23 HA ASP 23 1.794 -0.612 0.917 161 1HB ASP 23 1HB ASP 23 0.393 0.452 2.976 162 2HB ASP 23 2HB ASP 23 1.678 -0.335 3.879 163 H PHE 24 H PHE 24 3.059 -2.286 0.289 164 HA PHE 24 HA PHE 24 3.838 -4.399 2.211 165 1HB PHE 24 1HB PHE 24 4.628 -3.818 -0.650 166 2HB PHE 24 2HB PHE 24 5.209 -5.173 0.279 167 HD1 PHE 24 1HD PHE 24 2.762 -4.214 -2.103 168 HD2 PHE 24 2HD PHE 24 3.343 -6.717 1.358 169 HE1 PHE 24 1HE PHE 24 1.227 -5.894 -3.052 170 HE2 PHE 24 2HE PHE 24 1.867 -8.427 0.365 171 HZ PHE 24 HZ PHE 24 0.884 -8.088 -1.818 172 H TRP 25 H TRP 25 5.319 -3.768 3.672 173 HA TRP 25 HA TRP 25 7.752 -2.421 2.697 174 1HB TRP 25 1HB TRP 25 7.928 -1.063 4.650 175 2HB TRP 25 2HB TRP 25 6.340 -0.746 3.969 176 HD1 TRP 25 HD TRP 25 4.254 -2.065 5.251 177 HE1 TRP 25 1HE TRP 25 3.938 -2.736 7.701 178 HE3 TRP 25 3HE TRP 25 9.087 -1.541 6.849 179 HZ2 TRP 25 2HZ TRP 25 5.608 -3.091 10.059 180 HZ3 TRP 25 3HZ TRP 25 9.697 -2.062 9.185 181 HH2 TRP 25 HH TRP 25 7.975 -2.855 10.795 182 H ALA 26 H ALA 26 9.505 -2.966 4.632 183 HA ALA 26 HA ALA 26 8.886 -5.592 5.790 184 1HB ALA 26 1HB ALA 26 11.267 -5.043 3.973 185 2HB ALA 26 2HB ALA 26 11.095 -6.444 5.026 186 3HB ALA 26 3HB ALA 26 9.949 -6.208 3.701 187 H ALA 27 H ALA 27 10.009 -6.018 7.632 188 HA ALA 27 HA ALA 27 11.036 -3.987 9.240 189 1HB ALA 27 1HB ALA 27 11.671 -6.968 9.303 190 2HB ALA 27 2HB ALA 27 11.922 -5.826 10.642 191 3HB ALA 27 3HB ALA 27 10.277 -6.167 10.067 192 H TRP 28 H TRP 28 12.802 -5.786 6.748 193 HA TRP 28 HA TRP 28 15.373 -4.776 7.749 194 1HB TRP 28 1HB TRP 28 16.327 -6.469 6.727 195 2HB TRP 28 2HB TRP 28 14.720 -7.142 6.609 196 HD1 TRP 28 HD TRP 28 17.451 -5.410 4.617 197 HE1 TRP 28 1HE TRP 28 17.022 -5.523 2.100 198 HE3 TRP 28 3HE TRP 28 12.922 -7.810 4.671 199 HZ2 TRP 28 2HZ TRP 28 14.830 -6.224 0.350 200 HZ3 TRP 28 3HZ TRP 28 11.639 -8.084 2.569 201 HH2 TRP 28 HH TRP 28 12.577 -7.230 0.418 202 H CYS 29 H CYS 29 13.029 -3.719 5.308 203 HA CYS 29 HA CYS 29 15.029 -3.147 3.343 204 1HB CYS 29 1HB CYS 29 13.257 -2.018 2.060 205 2HB CYS 29 2HB CYS 29 12.947 -3.677 2.524 206 H GLY 30 H GLY 30 15.562 -1.040 2.404 207 1HA GLY 30 1HA GLY 30 16.397 0.769 4.527 208 2HA GLY 30 2HA GLY 30 16.921 0.792 2.849 209 HA PRO 31 HA PRO 31 14.629 4.452 2.240 210 1HB PRO 31 1HB PRO 31 13.556 4.232 -0.311 211 2HB PRO 31 2HB PRO 31 15.276 4.570 0.059 212 1HG PRO 31 1HG PRO 31 13.983 1.918 -0.623 213 2HG PRO 31 2HG PRO 31 15.516 2.603 -1.253 214 1HD PRO 31 1HD PRO 31 15.511 0.770 0.739 215 2HD PRO 31 2HD PRO 31 16.656 2.143 0.775 216 H CYS 32 H CYS 32 12.790 1.513 2.008 217 HA CYS 32 HA CYS 32 10.140 2.554 2.022 218 1HB CYS 32 1HB CYS 32 9.500 0.495 3.065 219 2HB CYS 32 2HB CYS 32 10.735 0.138 1.863 220 H ARG 33 H ARG 33 12.633 2.423 4.614 221 HA ARG 33 HA ARG 33 10.846 3.161 6.736 222 1HB ARG 33 1HB ARG 33 13.083 1.975 6.855 223 2HB ARG 33 2HB ARG 33 13.848 3.547 6.565 224 1HG ARG 33 1HG ARG 33 12.935 4.427 8.660 225 2HG ARG 33 2HG ARG 33 11.954 2.958 8.887 226 1HD ARG 33 1HD ARG 33 14.012 1.599 8.996 227 2HD ARG 33 2HD ARG 33 14.999 3.064 8.797 228 HE ARG 33 HE ARG 33 13.443 3.669 10.940 229 1HH1 ARG 33 2HH2 ARG 33 15.538 0.916 10.235 230 2HH1 ARG 33 1HH2 ARG 33 15.970 0.595 11.876 231 1HH2 ARG 33 2HH1 ARG 33 13.996 3.276 13.160 232 2HH2 ARG 33 1HH1 ARG 33 15.064 1.987 13.577 233 H MET 34 H MET 34 12.205 5.023 4.136 234 HA MET 34 HA MET 34 11.751 7.580 5.528 235 1HB MET 34 1HB MET 34 13.047 6.918 2.850 236 2HB MET 34 2HB MET 34 12.888 8.533 3.554 237 1HG MET 34 1HG MET 34 14.217 7.712 5.535 238 2HG MET 34 2HG MET 34 14.547 6.233 4.626 239 1HE MET 34 1HE MET 34 16.687 7.636 1.591 240 2HE MET 34 2HE MET 34 16.004 6.180 2.346 241 3HE MET 34 3HE MET 34 14.931 7.389 1.594 242 H MET 35 H MET 35 10.170 5.347 3.525 243 HA MET 35 HA MET 35 8.423 7.296 2.174 244 1HB MET 35 1HB MET 35 9.476 5.285 0.974 245 2HB MET 35 2HB MET 35 8.442 4.254 1.975 246 1HG MET 35 1HG MET 35 6.446 5.438 1.055 247 2HG MET 35 2HG MET 35 7.505 6.418 0.045 248 1HE MET 35 1HE MET 35 5.934 4.179 -2.703 249 2HE MET 35 2HE MET 35 5.085 4.826 -1.284 250 3HE MET 35 3HE MET 35 6.283 5.830 -2.139 251 H ALA 36 H ALA 36 8.491 4.660 4.631 252 HA ALA 36 HA ALA 36 5.898 4.505 5.459 253 1HB ALA 36 1HB ALA 36 8.411 4.541 7.177 254 2HB ALA 36 2HB ALA 36 6.809 3.965 7.692 255 3HB ALA 36 3HB ALA 36 7.666 3.141 6.377 256 HA PRO 37 HA PRO 37 5.988 8.525 8.079 257 1HB PRO 37 1HB PRO 37 7.856 10.485 7.413 258 2HB PRO 37 2HB PRO 37 8.061 9.295 8.738 259 1HG PRO 37 1HG PRO 37 9.151 9.171 5.927 260 2HG PRO 37 2HG PRO 37 10.014 8.849 7.469 261 1HD PRO 37 1HD PRO 37 9.062 6.811 5.993 262 2HD PRO 37 2HD PRO 37 8.904 6.778 7.767 263 H VAL 38 H VAL 38 7.028 8.614 4.585 264 HA VAL 38 HA VAL 38 5.271 10.884 4.084 265 HB VAL 38 HB VAL 38 7.361 9.627 2.686 266 1HG1 VAL 38 1HG1 VAL 38 6.462 9.442 0.358 267 2HG1 VAL 38 2HG1 VAL 38 5.962 8.139 1.428 268 3HG1 VAL 38 3HG1 VAL 38 4.826 9.445 1.011 269 1HG2 VAL 38 1HG2 VAL 38 6.948 12.031 2.884 270 2HG2 VAL 38 2HG2 VAL 38 7.158 11.555 1.194 271 3HG2 VAL 38 3HG2 VAL 38 5.532 11.892 1.831 272 H LEU 39 H LEU 39 4.829 7.419 4.286 273 HA LEU 39 HA LEU 39 2.195 7.352 3.161 274 1HB LEU 39 1HB LEU 39 4.086 5.483 4.543 275 2HB LEU 39 2HB LEU 39 2.406 5.050 4.524 276 HG LEU 39 HG LEU 39 2.340 4.555 2.329 277 1HD1 LEU 39 1HD1 LEU 39 3.877 5.362 0.560 278 2HD1 LEU 39 2HD1 LEU 39 2.853 6.630 1.239 279 3HD1 LEU 39 3HD1 LEU 39 4.560 6.509 1.720 280 1HD2 LEU 39 1HD2 LEU 39 4.368 3.333 1.713 281 2HD2 LEU 39 2HD2 LEU 39 5.358 4.336 2.801 282 3HD2 LEU 39 3HD2 LEU 39 4.148 3.217 3.459 283 H GLU 40 H GLU 40 3.533 7.557 6.504 284 HA GLU 40 HA GLU 40 0.918 7.522 7.709 285 1HB GLU 40 1HB GLU 40 3.602 7.727 8.661 286 2HB GLU 40 2HB GLU 40 2.830 9.202 9.140 287 1HG GLU 40 1HG GLU 40 2.314 7.836 10.942 288 2HG GLU 40 2HG GLU 40 0.854 7.710 10.000 289 H GLU 41 H GLU 41 3.009 10.165 6.443 290 HA GLU 41 HA GLU 41 1.111 12.302 6.688 291 1HB GLU 41 1HB GLU 41 3.680 12.311 6.209 292 2HB GLU 41 2HB GLU 41 3.225 11.978 4.536 293 1HG GLU 41 1HG GLU 41 1.707 14.164 4.885 294 2HG GLU 41 2HG GLU 41 2.844 14.480 6.184 295 H PHE 42 H PHE 42 1.129 9.557 4.577 296 HA PHE 42 HA PHE 42 -0.628 10.804 2.560 297 1HB PHE 42 1HB PHE 42 1.049 8.900 2.086 298 2HB PHE 42 2HB PHE 42 -0.104 7.831 2.888 299 HD1 PHE 42 1HD PHE 42 0.767 9.610 -0.110 300 HD2 PHE 42 2HD PHE 42 -2.461 7.606 1.934 301 HE1 PHE 42 1HE PHE 42 -0.560 9.651 -2.172 302 HE2 PHE 42 2HE PHE 42 -3.787 7.613 -0.165 303 HZ PHE 42 HZ PHE 42 -2.867 8.746 -2.201 304 H ALA 43 H ALA 43 -0.810 8.386 5.226 305 HA ALA 43 HA ALA 43 -3.543 7.842 5.064 306 1HB ALA 43 1HB ALA 43 -1.876 6.534 6.390 307 2HB ALA 43 2HB ALA 43 -1.756 7.871 7.546 308 3HB ALA 43 3HB ALA 43 -3.284 6.994 7.366 309 H GLU 44 H GLU 44 -1.840 10.323 7.005 310 HA GLU 44 HA GLU 44 -4.083 11.382 8.352 311 1HB GLU 44 1HB GLU 44 -1.787 11.760 8.948 312 2HB GLU 44 2HB GLU 44 -1.513 12.771 7.538 313 1HG GLU 44 1HG GLU 44 -3.785 13.347 9.506 314 2HG GLU 44 2HG GLU 44 -2.144 13.754 9.922 315 H ALA 45 H ALA 45 -2.578 12.515 5.326 316 HA ALA 45 HA ALA 45 -4.029 14.831 5.099 317 1HB ALA 45 1HB ALA 45 -1.928 14.386 3.946 318 2HB ALA 45 2HB ALA 45 -2.729 13.208 2.872 319 3HB ALA 45 3HB ALA 45 -3.151 14.938 2.786 320 H HIS 46 H HIS 46 -5.296 11.738 4.322 321 HA HIS 46 HA HIS 46 -7.872 12.887 3.681 322 1HB HIS 46 1HB HIS 46 -7.911 11.083 1.660 323 2HB HIS 46 2HB HIS 46 -7.559 12.794 1.475 324 HD1 HIS 46 1HD HIS 46 -5.577 13.120 -0.202 325 HD2 HIS 46 2HD HIS 46 -5.249 9.764 2.378 326 HE1 HIS 46 1HE HIS 46 -3.304 12.145 -0.576 327 HE2 HIS 46 2HE HIS 46 -3.094 10.056 0.949 328 H ALA 47 H ALA 47 -7.085 11.788 5.987 329 HA ALA 47 HA ALA 47 -7.274 9.030 6.328 330 1HB ALA 47 1HB ALA 47 -7.845 9.583 8.669 331 2HB ALA 47 2HB ALA 47 -6.554 10.637 8.061 332 3HB ALA 47 3HB ALA 47 -8.218 11.253 8.192 333 H ASP 48 H ASP 48 -9.837 11.075 5.268 334 HA ASP 48 HA ASP 48 -12.011 9.346 6.158 335 1HB ASP 48 1HB ASP 48 -13.387 11.122 5.139 336 2HB ASP 48 2HB ASP 48 -12.244 11.826 6.282 337 H LYS 49 H LYS 49 -10.547 10.556 3.120 338 HA LYS 49 HA LYS 49 -12.410 9.072 1.549 339 1HB LYS 49 1HB LYS 49 -11.312 11.186 0.832 340 2HB LYS 49 2HB LYS 49 -9.786 10.314 0.621 341 1HG LYS 49 1HG LYS 49 -10.742 8.939 -1.127 342 2HG LYS 49 2HG LYS 49 -12.356 9.596 -0.868 343 1HD LYS 49 1HD LYS 49 -10.000 11.286 -1.792 344 2HD LYS 49 2HD LYS 49 -10.981 10.308 -2.891 345 1HE LYS 49 1HE LYS 49 -13.018 11.571 -2.025 346 2HE LYS 49 2HE LYS 49 -11.870 12.714 -1.294 347 1HZ LYS 49 1HZ LYS 49 -12.076 12.000 -4.186 348 2HZ LYS 49 2HZ LYS 49 -12.479 13.440 -3.552 349 3HZ LYS 49 3HZ LYS 49 -10.901 12.928 -3.608 350 H VAL 50 H VAL 50 -9.568 7.795 3.102 351 HA VAL 50 HA VAL 50 -9.665 5.474 1.224 352 HB VAL 50 HB VAL 50 -7.316 5.407 0.874 353 1HG1 VAL 50 1HG1 VAL 50 -8.198 8.246 0.288 354 2HG1 VAL 50 2HG1 VAL 50 -6.978 7.282 -0.580 355 3HG1 VAL 50 3HG1 VAL 50 -8.689 6.832 -0.655 356 1HG2 VAL 50 1HG2 VAL 50 -7.050 7.938 2.539 357 2HG2 VAL 50 2HG2 VAL 50 -6.420 6.336 2.957 358 3HG2 VAL 50 3HG2 VAL 50 -5.760 7.205 1.567 359 H THR 51 H THR 51 -8.427 3.502 1.951 360 HA THR 51 HA THR 51 -7.660 3.677 4.748 361 HB THR 51 HB THR 51 -9.599 2.255 4.664 362 HG1 THR 51 1HG THR 51 -7.049 1.139 5.241 363 1HG2 THR 51 1HG2 THR 51 -9.360 1.354 2.357 364 2HG2 THR 51 2HG2 THR 51 -8.010 0.347 2.936 365 3HG2 THR 51 3HG2 THR 51 -9.645 0.127 3.596 366 H VAL 52 H VAL 52 -5.542 3.563 4.977 367 HA VAL 52 HA VAL 52 -3.925 2.147 2.966 368 HB VAL 52 HB VAL 52 -2.948 3.078 5.621 369 1HG1 VAL 52 1HG1 VAL 52 -0.784 3.307 4.395 370 2HG1 VAL 52 2HG1 VAL 52 -1.406 1.659 4.340 371 3HG1 VAL 52 3HG1 VAL 52 -1.566 2.715 2.922 372 1HG2 VAL 52 1HG2 VAL 52 -3.289 4.797 3.132 373 2HG2 VAL 52 2HG2 VAL 52 -3.895 5.127 4.766 374 3HG2 VAL 52 3HG2 VAL 52 -2.163 5.210 4.438 375 H ALA 53 H ALA 53 -2.997 0.106 3.427 376 HA ALA 53 HA ALA 53 -3.702 -1.139 5.973 377 1HB ALA 53 1HB ALA 53 -4.493 -3.176 4.939 378 2HB ALA 53 2HB ALA 53 -5.517 -1.820 4.467 379 3HB ALA 53 3HB ALA 53 -4.316 -2.472 3.319 380 H LYS 54 H LYS 54 -1.673 -1.392 6.724 381 HA LYS 54 HA LYS 54 0.474 -1.859 4.748 382 1HB LYS 54 1HB LYS 54 2.027 -0.985 6.422 383 2HB LYS 54 2HB LYS 54 0.763 0.144 5.963 384 1HG LYS 54 1HG LYS 54 -0.439 -0.402 8.120 385 2HG LYS 54 2HG LYS 54 0.986 -1.344 8.600 386 1HD LYS 54 1HD LYS 54 2.408 0.685 8.374 387 2HD LYS 54 2HD LYS 54 1.022 1.613 7.785 388 1HE LYS 54 1HE LYS 54 -0.093 1.243 10.024 389 2HE LYS 54 2HE LYS 54 1.400 0.502 10.587 390 1HZ LYS 54 1HZ LYS 54 1.190 3.393 9.693 391 2HZ LYS 54 2HZ LYS 54 1.285 2.837 11.218 392 3HZ LYS 54 3HZ LYS 54 2.528 2.646 10.194 393 H LEU 55 H LEU 55 1.975 -3.510 4.861 394 HA LEU 55 HA LEU 55 1.747 -5.384 7.136 395 1HB LEU 55 1HB LEU 55 1.675 -7.349 5.793 396 2HB LEU 55 2HB LEU 55 0.228 -6.410 5.585 397 HG LEU 55 HG LEU 55 2.482 -6.333 3.534 398 1HD1 LEU 55 1HD1 LEU 55 0.251 -8.363 3.921 399 2HD1 LEU 55 2HD1 LEU 55 0.974 -8.064 2.334 400 3HD1 LEU 55 3HD1 LEU 55 1.983 -8.632 3.645 401 1HD2 LEU 55 1HD2 LEU 55 0.624 -5.789 1.984 402 2HD2 LEU 55 2HD2 LEU 55 -0.520 -5.771 3.348 403 3HD2 LEU 55 3HD2 LEU 55 0.778 -4.571 3.234 404 H ASN 56 H ASN 56 3.511 -6.681 7.486 405 HA ASN 56 HA ASN 56 6.072 -5.612 6.477 406 1HB ASN 56 1HB ASN 56 5.837 -5.857 8.931 407 2HB ASN 56 2HB ASN 56 5.305 -7.535 8.747 408 1HD2 ASN 56 1HD2 ASN 56 7.038 -8.412 10.075 409 2HD2 ASN 56 2HD2 ASN 56 8.685 -8.375 9.445 410 H VAL 57 H VAL 57 6.029 -6.435 4.417 411 HA VAL 57 HA VAL 57 4.917 -8.909 3.614 412 HB VAL 57 HB VAL 57 5.296 -6.779 2.396 413 1HG1 VAL 57 1HG1 VAL 57 7.266 -6.076 1.557 414 2HG1 VAL 57 2HG1 VAL 57 7.907 -6.896 2.968 415 3HG1 VAL 57 3HG1 VAL 57 7.960 -7.722 1.408 416 1HG2 VAL 57 1HG2 VAL 57 5.434 -7.767 0.200 417 2HG2 VAL 57 2HG2 VAL 57 6.147 -9.243 0.880 418 3HG2 VAL 57 3HG2 VAL 57 4.475 -8.796 1.270 419 H ASP 58 H ASP 58 7.885 -8.267 5.143 420 HA ASP 58 HA ASP 58 9.543 -10.490 4.422 421 1HB ASP 58 1HB ASP 58 9.983 -8.226 5.665 422 2HB ASP 58 2HB ASP 58 9.382 -9.071 7.079 423 H GLU 59 H GLU 59 6.734 -10.116 6.352 424 HA GLU 59 HA GLU 59 7.041 -12.698 7.811 425 1HB GLU 59 1HB GLU 59 7.471 -10.740 9.150 426 2HB GLU 59 2HB GLU 59 5.986 -9.979 8.565 427 1HG GLU 59 1HG GLU 59 4.617 -11.574 9.788 428 2HG GLU 59 2HG GLU 59 6.067 -12.452 10.305 429 H ASN 60 H ASN 60 4.886 -10.585 5.919 430 HA ASN 60 HA ASN 60 2.525 -12.256 6.430 431 1HB ASN 60 1HB ASN 60 3.022 -9.407 5.460 432 2HB ASN 60 2HB ASN 60 1.456 -10.144 5.705 433 1HD2 ASN 60 1HD2 ASN 60 1.551 -11.284 8.220 434 2HD2 ASN 60 2HD2 ASN 60 2.155 -10.143 9.429 435 HA PRO 61 HA PRO 61 4.046 -13.187 2.137 436 1HB PRO 61 1HB PRO 61 3.497 -15.898 2.050 437 2HB PRO 61 2HB PRO 61 4.946 -15.188 2.820 438 1HG PRO 61 1HG PRO 61 2.304 -15.940 4.141 439 2HG PRO 61 2HG PRO 61 3.962 -16.421 4.638 440 1HD PRO 61 1HD PRO 61 2.768 -14.326 5.828 441 2HD PRO 61 2HD PRO 61 4.479 -14.210 5.340 442 H GLU 62 H GLU 62 0.760 -13.216 3.307 443 HA GLU 62 HA GLU 62 -0.460 -14.573 1.143 444 1HB GLU 62 1HB GLU 62 -1.811 -14.075 3.031 445 2HB GLU 62 2HB GLU 62 -1.420 -12.341 2.954 446 1HG GLU 62 1HG GLU 62 -3.765 -13.068 2.169 447 2HG GLU 62 2HG GLU 62 -2.852 -11.875 1.277 448 H THR 63 H THR 63 -1.115 -14.000 -0.823 449 HA THR 63 HA THR 63 -0.902 -13.300 -2.902 450 HB THR 63 HB THR 63 -1.589 -10.777 -1.424 451 HG1 THR 63 1HG THR 63 -3.283 -12.414 -1.718 452 1HG2 THR 63 1HG2 THR 63 -2.182 -9.671 -3.557 453 2HG2 THR 63 2HG2 THR 63 -0.437 -9.896 -3.406 454 3HG2 THR 63 3HG2 THR 63 -1.395 -10.972 -4.466 455 H THR 64 H THR 64 1.499 -12.300 -0.783 456 HA THR 64 HA THR 64 3.170 -10.753 -2.361 457 HB THR 64 HB THR 64 3.756 -12.680 -0.088 458 HG1 THR 64 1HG THR 64 2.342 -11.107 0.595 459 1HG2 THR 64 1HG2 THR 64 5.503 -10.396 -0.997 460 2HG2 THR 64 2HG2 THR 64 5.732 -11.443 0.420 461 3HG2 THR 64 3HG2 THR 64 5.866 -12.122 -1.203 462 H SER 65 H SER 65 3.287 -14.244 -1.688 463 HA SER 65 HA SER 65 5.193 -14.880 -3.775 464 1HB SER 65 1HB SER 65 4.958 -16.187 -1.668 465 2HB SER 65 2HB SER 65 3.319 -16.665 -2.166 466 HG SER 65 HG SER 65 4.435 -17.386 -4.164 467 H GLN 66 H GLN 66 2.041 -13.803 -4.166 468 HA GLN 66 HA GLN 66 1.365 -15.743 -6.307 469 1HB GLN 66 1HB GLN 66 -0.184 -15.223 -4.268 470 2HB GLN 66 2HB GLN 66 -0.449 -13.665 -5.050 471 1HG GLN 66 1HG GLN 66 -2.259 -15.037 -5.653 472 2HG GLN 66 2HG GLN 66 -1.261 -14.863 -7.099 473 1HE2 GLN 66 1HE2 GLN 66 -2.932 -16.874 -7.392 474 2HE2 GLN 66 2HE2 GLN 66 -2.172 -18.417 -7.017 475 H PHE 67 H PHE 67 1.710 -12.221 -5.546 476 HA PHE 67 HA PHE 67 1.377 -11.575 -8.416 477 1HB PHE 67 1HB PHE 67 0.059 -10.567 -6.354 478 2HB PHE 67 2HB PHE 67 1.477 -9.621 -6.135 479 HD1 PHE 67 1HD PHE 67 -1.559 -10.181 -8.045 480 HD2 PHE 67 2HD PHE 67 2.117 -7.921 -7.989 481 HE1 PHE 67 1HE PHE 67 -2.525 -8.559 -9.649 482 HE2 PHE 67 2HE PHE 67 1.144 -6.308 -9.601 483 HZ PHE 67 HZ PHE 67 -1.180 -6.617 -10.425 484 H GLY 68 H GLY 68 3.913 -12.494 -6.554 485 1HA GLY 68 1HA GLY 68 6.164 -12.442 -6.998 486 2HA GLY 68 2HA GLY 68 5.821 -11.406 -8.393 487 H ILE 69 H ILE 69 5.107 -10.831 -4.945 488 HA ILE 69 HA ILE 69 5.871 -8.051 -5.245 489 HB ILE 69 HB ILE 69 4.806 -9.658 -2.935 490 1HG1 ILE 69 1HG1 ILE 69 3.219 -9.741 -4.752 491 2HG1 ILE 69 2HG1 ILE 69 2.589 -8.695 -3.506 492 1HG2 ILE 69 1HG2 ILE 69 3.984 -7.682 -1.917 493 2HG2 ILE 69 2HG2 ILE 69 5.720 -7.545 -2.070 494 3HG2 ILE 69 3HG2 ILE 69 4.665 -6.634 -3.168 495 1HD1 ILE 69 1HD1 ILE 69 3.375 -6.681 -4.852 496 2HD1 ILE 69 2HD1 ILE 69 3.835 -7.810 -6.147 497 3HD1 ILE 69 3HD1 ILE 69 2.149 -7.660 -5.623 498 H MET 70 H MET 70 8.097 -8.642 -5.763 499 HA MET 70 HA MET 70 9.853 -8.799 -3.343 500 1HB MET 70 1HB MET 70 10.537 -8.885 -6.313 501 2HB MET 70 2HB MET 70 11.652 -9.162 -4.964 502 1HG MET 70 1HG MET 70 10.179 -11.078 -4.247 503 2HG MET 70 2HG MET 70 9.263 -10.877 -5.742 504 1HE MET 70 1HE MET 70 10.115 -11.447 -8.130 505 2HE MET 70 2HE MET 70 11.461 -10.286 -7.976 506 3HE MET 70 3HE MET 70 11.779 -11.948 -8.514 507 H SER 71 H SER 71 8.469 -6.535 -5.481 508 HA SER 71 HA SER 71 10.703 -4.904 -6.035 509 1HB SER 71 1HB SER 71 7.738 -4.359 -6.405 510 2HB SER 71 2HB SER 71 9.083 -3.730 -7.394 511 HG SER 71 HG SER 71 8.008 -5.504 -8.377 512 H ILE 72 H ILE 72 10.032 -4.988 -3.149 513 HA ILE 72 HA ILE 72 8.341 -2.889 -2.527 514 HB ILE 72 HB ILE 72 8.620 -3.503 -0.229 515 1HG1 ILE 72 1HG1 ILE 72 11.011 -5.226 -1.001 516 2HG1 ILE 72 2HG1 ILE 72 11.134 -3.643 -0.225 517 1HG2 ILE 72 1HG2 ILE 72 8.006 -5.850 -0.403 518 2HG2 ILE 72 2HG2 ILE 72 7.324 -4.969 -1.760 519 3HG2 ILE 72 3HG2 ILE 72 8.758 -6.006 -1.972 520 1HD1 ILE 72 1HD1 ILE 72 9.914 -6.143 0.955 521 2HD1 ILE 72 2HD1 ILE 72 11.290 -5.188 1.530 522 3HD1 ILE 72 3HD1 ILE 72 9.659 -4.520 1.647 523 HA PRO 73 HA PRO 73 8.056 -1.467 -0.204 524 1HB PRO 73 1HB PRO 73 7.337 1.165 -0.327 525 2HB PRO 73 2HB PRO 73 8.512 0.507 0.844 526 1HG PRO 73 1HG PRO 73 9.083 1.862 -1.806 527 2HG PRO 73 2HG PRO 73 9.845 2.198 -0.222 528 1HD PRO 73 1HD PRO 73 11.043 0.597 -2.055 529 2HD PRO 73 2HD PRO 73 11.118 0.192 -0.321 530 H THR 74 H THR 74 6.190 -2.106 -1.146 531 HA THR 74 HA THR 74 5.551 -1.109 -3.892 532 HB THR 74 HB THR 74 4.849 -3.828 -2.729 533 HG1 THR 74 1HG THR 74 6.353 -4.602 -4.156 534 1HG2 THR 74 1HG2 THR 74 4.198 -4.345 -5.076 535 2HG2 THR 74 2HG2 THR 74 3.211 -3.041 -4.403 536 3HG2 THR 74 3HG2 THR 74 4.530 -2.659 -5.517 537 H LEU 75 H LEU 75 3.558 -0.317 -4.232 538 HA LEU 75 HA LEU 75 1.627 -0.191 -1.957 539 1HB LEU 75 1HB LEU 75 3.226 1.772 -2.205 540 2HB LEU 75 2HB LEU 75 2.331 2.195 -3.645 541 HG LEU 75 HG LEU 75 0.781 1.625 -1.090 542 1HD1 LEU 75 1HD1 LEU 75 2.581 3.029 -0.359 543 2HD1 LEU 75 2HD1 LEU 75 2.362 4.121 -1.740 544 3HD1 LEU 75 3HD1 LEU 75 1.115 4.006 -0.452 545 1HD2 LEU 75 1HD2 LEU 75 -0.629 3.494 -2.052 546 2HD2 LEU 75 2HD2 LEU 75 0.409 3.496 -3.474 547 3HD2 LEU 75 3HD2 LEU 75 -0.558 2.047 -3.069 548 H ILE 76 H ILE 76 0.083 -1.526 -2.848 549 HA ILE 76 HA ILE 76 -0.630 -1.151 -5.732 550 HB ILE 76 HB ILE 76 -1.398 -3.497 -3.975 551 1HG1 ILE 76 1HG1 ILE 76 0.865 -3.225 -5.980 552 2HG1 ILE 76 2HG1 ILE 76 0.967 -3.671 -4.277 553 1HG2 ILE 76 1HG2 ILE 76 -2.153 -4.483 -6.132 554 2HG2 ILE 76 2HG2 ILE 76 -2.970 -2.971 -5.856 555 3HG2 ILE 76 3HG2 ILE 76 -1.609 -3.033 -6.999 556 1HD1 ILE 76 1HD1 ILE 76 -0.115 -5.393 -6.543 557 2HD1 ILE 76 2HD1 ILE 76 1.305 -5.647 -5.533 558 3HD1 ILE 76 3HD1 ILE 76 -0.311 -5.797 -4.821 559 H LEU 77 H LEU 77 -2.834 -0.633 -6.116 560 HA LEU 77 HA LEU 77 -4.369 0.110 -3.670 561 1HB LEU 77 1HB LEU 77 -3.562 1.979 -5.036 562 2HB LEU 77 2HB LEU 77 -4.551 1.383 -6.399 563 HG LEU 77 HG LEU 77 -5.447 2.536 -3.729 564 1HD1 LEU 77 1HD1 LEU 77 -5.963 4.447 -4.991 565 2HD1 LEU 77 2HD1 LEU 77 -4.461 3.921 -5.718 566 3HD1 LEU 77 3HD1 LEU 77 -5.973 3.575 -6.542 567 1HD2 LEU 77 1HD2 LEU 77 -7.211 0.973 -4.299 568 2HD2 LEU 77 2HD2 LEU 77 -7.749 2.562 -4.801 569 3HD2 LEU 77 3HD2 LEU 77 -7.130 1.416 -6.010 570 H PHE 78 H PHE 78 -6.200 -1.071 -3.454 571 HA PHE 78 HA PHE 78 -7.026 -2.759 -5.755 572 1HB PHE 78 1HB PHE 78 -7.103 -3.497 -2.823 573 2HB PHE 78 2HB PHE 78 -7.893 -4.386 -4.098 574 HD1 PHE 78 1HD PHE 78 -4.523 -3.478 -2.744 575 HD2 PHE 78 2HD PHE 78 -6.757 -6.029 -5.417 576 HE1 PHE 78 1HE PHE 78 -2.574 -5.031 -2.925 577 HE2 PHE 78 2HE PHE 78 -4.779 -7.528 -5.617 578 HZ PHE 78 HZ PHE 78 -2.707 -7.028 -4.375 579 H LYS 79 H LYS 79 -9.248 -2.798 -6.035 580 HA LYS 79 HA LYS 79 -10.937 -1.574 -3.963 581 1HB LYS 79 1HB LYS 79 -12.198 -0.188 -5.580 582 2HB LYS 79 2HB LYS 79 -10.560 0.332 -5.227 583 1HG LYS 79 1HG LYS 79 -9.865 -0.824 -7.451 584 2HG LYS 79 2HG LYS 79 -11.596 -0.947 -7.783 585 1HD LYS 79 1HD LYS 79 -10.808 1.030 -8.860 586 2HD LYS 79 2HD LYS 79 -11.742 1.581 -7.461 587 1HE LYS 79 1HE LYS 79 -9.698 2.010 -6.186 588 2HE LYS 79 2HE LYS 79 -8.725 1.187 -7.384 589 1HZ LYS 79 1HZ LYS 79 -9.301 3.030 -9.000 590 2HZ LYS 79 2HZ LYS 79 -10.094 3.803 -7.799 591 3HZ LYS 79 3HZ LYS 79 -8.475 3.549 -7.778 592 H GLY 80 H GLY 80 -12.205 -3.072 -3.415 593 1HA GLY 80 1HA GLY 80 -13.263 -5.075 -3.332 594 2HA GLY 80 2HA GLY 80 -14.225 -4.389 -4.633 595 H GLY 81 H GLY 81 -11.028 -5.917 -4.109 596 1HA GLY 81 1HA GLY 81 -10.227 -7.903 -4.936 597 2HA GLY 81 2HA GLY 81 -11.518 -7.965 -6.137 598 H GLU 82 H GLU 82 -10.674 -5.003 -6.915 599 HA GLU 82 HA GLU 82 -8.947 -6.083 -9.021 600 1HB GLU 82 1HB GLU 82 -11.143 -5.036 -9.508 601 2HB GLU 82 2HB GLU 82 -10.525 -3.495 -8.914 602 1HG GLU 82 1HG GLU 82 -10.357 -3.450 -11.296 603 2HG GLU 82 2HG GLU 82 -8.715 -3.601 -10.684 604 HA PRO 83 HA PRO 83 -5.546 -3.440 -7.377 605 1HB PRO 83 1HB PRO 83 -3.475 -4.641 -8.678 606 2HB PRO 83 2HB PRO 83 -4.206 -5.304 -7.198 607 1HG PRO 83 1HG PRO 83 -4.774 -6.100 -10.065 608 2HG PRO 83 2HG PRO 83 -4.466 -7.165 -8.659 609 1HD PRO 83 1HD PRO 83 -6.974 -6.572 -9.555 610 2HD PRO 83 2HD PRO 83 -6.626 -6.844 -7.826 611 H VAL 84 H VAL 84 -6.336 -1.553 -8.519 612 HA VAL 84 HA VAL 84 -6.404 -1.376 -11.356 613 HB VAL 84 HB VAL 84 -6.493 1.125 -10.797 614 1HG1 VAL 84 1HG1 VAL 84 -8.831 0.982 -10.132 615 2HG1 VAL 84 2HG1 VAL 84 -8.467 -0.296 -11.292 616 3HG1 VAL 84 3HG1 VAL 84 -8.603 -0.700 -9.572 617 1HG2 VAL 84 1HG2 VAL 84 -5.448 0.979 -8.512 618 2HG2 VAL 84 2HG2 VAL 84 -6.963 1.859 -8.594 619 3HG2 VAL 84 3HG2 VAL 84 -6.939 0.199 -7.949 620 H LYS 85 H LYS 85 -3.899 -0.458 -9.012 621 HA LYS 85 HA LYS 85 -1.886 -0.421 -11.075 622 1HB LYS 85 1HB LYS 85 -1.173 1.919 -10.888 623 2HB LYS 85 2HB LYS 85 -2.802 1.803 -11.489 624 1HG LYS 85 1HG LYS 85 -2.962 3.571 -10.025 625 2HG LYS 85 2HG LYS 85 -3.605 2.270 -9.071 626 1HD LYS 85 1HD LYS 85 -0.674 2.509 -8.720 627 2HD LYS 85 2HD LYS 85 -1.490 4.038 -8.394 628 1HE LYS 85 1HE LYS 85 -2.796 3.195 -6.697 629 2HE LYS 85 2HE LYS 85 -2.705 1.539 -7.244 630 1HZ LYS 85 1HZ LYS 85 -0.431 3.008 -6.059 631 2HZ LYS 85 2HZ LYS 85 -1.391 1.964 -5.236 632 3HZ LYS 85 3HZ LYS 85 -0.438 1.406 -6.421 633 H GLN 86 H GLN 86 0.266 0.206 -10.153 634 HA GLN 86 HA GLN 86 0.613 -0.429 -7.292 635 1HB GLN 86 1HB GLN 86 0.832 -2.537 -8.380 636 2HB GLN 86 2HB GLN 86 1.747 -1.840 -9.729 637 1HG GLN 86 1HG GLN 86 3.649 -1.410 -8.322 638 2HG GLN 86 2HG GLN 86 2.810 -1.971 -6.885 639 1HE2 GLN 86 1HE2 GLN 86 1.784 -4.443 -7.394 640 2HE2 GLN 86 2HE2 GLN 86 3.046 -5.476 -8.053 641 H LEU 87 H LEU 87 2.169 0.841 -6.401 642 HA LEU 87 HA LEU 87 4.104 2.238 -8.192 643 1HB LEU 87 1HB LEU 87 3.402 2.943 -5.301 644 2HB LEU 87 2HB LEU 87 4.758 3.567 -6.189 645 HG LEU 87 HG LEU 87 3.220 5.281 -6.145 646 1HD1 LEU 87 1HD1 LEU 87 2.857 5.804 -8.424 647 2HD1 LEU 87 2HD1 LEU 87 4.305 4.791 -8.394 648 3HD1 LEU 87 3HD1 LEU 87 2.754 4.092 -8.902 649 1HD2 LEU 87 1HD2 LEU 87 1.228 3.927 -5.555 650 2HD2 LEU 87 2HD2 LEU 87 0.908 5.203 -6.744 651 3HD2 LEU 87 3HD2 LEU 87 1.052 3.523 -7.300 652 H ILE 88 H ILE 88 6.285 2.010 -7.485 653 HA ILE 88 HA ILE 88 6.940 0.048 -5.440 654 HB ILE 88 HB ILE 88 8.622 -0.949 -7.116 655 1HG1 ILE 88 1HG1 ILE 88 6.636 0.164 -9.166 656 2HG1 ILE 88 2HG1 ILE 88 8.328 0.638 -8.979 657 1HG2 ILE 88 1HG2 ILE 88 6.742 -2.135 -6.111 658 2HG2 ILE 88 2HG2 ILE 88 5.663 -1.563 -7.400 659 3HG2 ILE 88 3HG2 ILE 88 6.974 -2.674 -7.775 660 1HD1 ILE 88 1HD1 ILE 88 7.245 -2.052 -9.899 661 2HD1 ILE 88 2HD1 ILE 88 8.160 -0.867 -10.835 662 3HD1 ILE 88 3HD1 ILE 88 8.962 -1.756 -9.516 663 H GLY 89 H GLY 89 8.829 0.572 -4.479 664 1HA GLY 89 1HA GLY 89 10.785 1.739 -4.003 665 2HA GLY 89 2HA GLY 89 10.727 2.511 -5.595 666 H TYR 90 H TYR 90 11.447 4.119 -3.629 667 HA TYR 90 HA TYR 90 9.280 5.345 -2.176 668 1HB TYR 90 1HB TYR 90 11.548 5.118 -1.307 669 2HB TYR 90 2HB TYR 90 12.139 6.196 -2.560 670 HD1 TYR 90 1HD TYR 90 13.135 7.156 -0.360 671 HD2 TYR 90 2HD TYR 90 8.937 7.450 -1.361 672 HE1 TYR 90 1HE TYR 90 12.862 9.021 1.252 673 HE2 TYR 90 2HE TYR 90 8.686 9.284 0.236 674 HH TYR 90 HH TYR 90 10.376 9.727 2.656 675 H GLN 91 H GLN 91 7.908 5.743 -4.050 676 HA GLN 91 HA GLN 91 8.446 8.171 -5.595 677 1HB GLN 91 1HB GLN 91 5.666 7.137 -4.926 678 2HB GLN 91 2HB GLN 91 6.180 8.109 -6.276 679 1HG GLN 91 1HG GLN 91 6.814 5.161 -5.883 680 2HG GLN 91 2HG GLN 91 5.743 5.894 -7.073 681 1HE2 GLN 91 1HE2 GLN 91 8.459 4.212 -7.301 682 2HE2 GLN 91 2HE2 GLN 91 9.341 5.265 -8.401 683 HA PRO 92 HA PRO 92 7.650 10.642 -1.850 684 1HB PRO 92 1HB PRO 92 7.657 13.164 -2.920 685 2HB PRO 92 2HB PRO 92 9.156 12.208 -2.703 686 1HG PRO 92 1HG PRO 92 7.480 12.496 -5.219 687 2HG PRO 92 2HG PRO 92 9.255 12.691 -5.046 688 1HD PRO 92 1HD PRO 92 8.131 10.355 -5.905 689 2HD PRO 92 2HD PRO 92 9.582 10.353 -4.858 690 H LYS 93 H LYS 93 5.853 12.090 -1.096 691 HA LYS 93 HA LYS 93 3.318 11.229 -1.671 692 1HB LYS 93 1HB LYS 93 4.586 13.492 -0.245 693 2HB LYS 93 2HB LYS 93 3.019 13.924 -0.874 694 1HG LYS 93 1HG LYS 93 3.372 11.332 0.655 695 2HG LYS 93 2HG LYS 93 3.272 12.844 1.531 696 1HD LYS 93 1HD LYS 93 1.159 11.946 -0.454 697 2HD LYS 93 2HD LYS 93 1.112 11.547 1.263 698 1HE LYS 93 1HE LYS 93 1.131 14.386 0.164 699 2HE LYS 93 2HE LYS 93 -0.338 13.490 0.587 700 1HZ LYS 93 1HZ LYS 93 0.527 13.375 2.895 701 2HZ LYS 93 2HZ LYS 93 1.829 14.278 2.458 702 3HZ LYS 93 3HZ LYS 93 0.328 14.923 2.384 703 H GLU 94 H GLU 94 4.961 14.032 -3.185 704 HA GLU 94 HA GLU 94 2.839 15.019 -4.700 705 1HB GLU 94 1HB GLU 94 5.827 14.891 -5.309 706 2HB GLU 94 2HB GLU 94 4.708 16.009 -6.087 707 1HG GLU 94 1HG GLU 94 4.426 17.310 -4.137 708 2HG GLU 94 2HG GLU 94 5.006 16.042 -3.060 709 H GLN 95 H GLN 95 4.668 12.047 -5.330 710 HA GLN 95 HA GLN 95 3.825 11.999 -8.183 711 1HB GLN 95 1HB GLN 95 6.250 11.663 -7.487 712 2HB GLN 95 2HB GLN 95 5.777 10.280 -6.560 713 1HG GLN 95 1HG GLN 95 6.704 9.584 -8.726 714 2HG GLN 95 2HG GLN 95 5.026 9.079 -8.560 715 1HE2 GLN 95 1HE2 GLN 95 6.925 11.926 -9.851 716 2HE2 GLN 95 2HE2 GLN 95 5.872 12.100 -11.251 717 H LEU 96 H LEU 96 3.995 10.276 -5.181 718 HA LEU 96 HA LEU 96 2.492 7.933 -5.666 719 1HB LEU 96 1HB LEU 96 3.938 8.813 -3.663 720 2HB LEU 96 2HB LEU 96 2.393 9.346 -3.049 721 HG LEU 96 HG LEU 96 3.225 6.502 -3.763 722 1HD1 LEU 96 1HD1 LEU 96 4.228 7.419 -1.710 723 2HD1 LEU 96 2HD1 LEU 96 2.616 7.862 -1.102 724 3HD1 LEU 96 3HD1 LEU 96 3.046 6.161 -1.330 725 1HD2 LEU 96 1HD2 LEU 96 0.831 6.671 -4.214 726 2HD2 LEU 96 2HD2 LEU 96 1.082 5.775 -2.714 727 3HD2 LEU 96 3HD2 LEU 96 0.556 7.460 -2.642 728 H GLU 97 H GLU 97 1.316 11.006 -4.136 729 HA GLU 97 HA GLU 97 -1.423 10.239 -4.137 730 1HB GLU 97 1HB GLU 97 0.056 12.146 -2.946 731 2HB GLU 97 2HB GLU 97 -0.594 13.142 -4.226 732 1HG GLU 97 1HG GLU 97 -2.315 11.383 -2.414 733 2HG GLU 97 2HG GLU 97 -1.673 12.912 -1.845 734 H ALA 98 H ALA 98 0.640 11.722 -6.580 735 HA ALA 98 HA ALA 98 -1.648 12.612 -8.200 736 1HB ALA 98 1HB ALA 98 0.044 13.074 -9.944 737 2HB ALA 98 2HB ALA 98 0.541 13.759 -8.386 738 3HB ALA 98 3HB ALA 98 1.291 12.261 -8.981 739 H GLN 99 H GLN 99 0.558 9.771 -8.266 740 HA GLN 99 HA GLN 99 -0.824 8.555 -10.490 741 1HB GLN 99 1HB GLN 99 1.499 8.023 -9.206 742 2HB GLN 99 2HB GLN 99 0.505 6.800 -8.430 743 1HG GLN 99 1HG GLN 99 0.700 7.145 -11.465 744 2HG GLN 99 2HG GLN 99 1.868 6.217 -10.548 745 1HE2 GLN 99 1HE2 GLN 99 -1.839 6.289 -10.760 746 2HE2 GLN 99 2HE2 GLN 99 -1.851 4.569 -11.077 747 H LEU 100 H LEU 100 -1.204 8.389 -6.956 748 HA LEU 100 HA LEU 100 -3.291 6.420 -6.944 749 1HB LEU 100 1HB LEU 100 -1.564 7.489 -5.032 750 2HB LEU 100 2HB LEU 100 -3.099 8.199 -4.605 751 HG LEU 100 HG LEU 100 -3.999 5.773 -4.789 752 1HD1 LEU 100 1HD1 LEU 100 -2.300 4.004 -4.565 753 2HD1 LEU 100 2HD1 LEU 100 -1.930 4.958 -6.035 754 3HD1 LEU 100 3HD1 LEU 100 -0.996 5.206 -4.558 755 1HD2 LEU 100 1HD2 LEU 100 -3.144 5.044 -2.597 756 2HD2 LEU 100 2HD2 LEU 100 -1.977 6.380 -2.618 757 3HD2 LEU 100 3HD2 LEU 100 -3.739 6.694 -2.596 758 H ALA 101 H ALA 101 -3.454 9.639 -7.918 759 HA ALA 101 HA ALA 101 -5.746 10.675 -6.911 760 1HB ALA 101 1HB ALA 101 -4.258 11.833 -8.455 761 2HB ALA 101 2HB ALA 101 -4.801 10.802 -9.796 762 3HB ALA 101 3HB ALA 101 -5.935 11.925 -9.013 763 H ASP 102 H ASP 102 -5.707 7.835 -9.080 764 HA ASP 102 HA ASP 102 -8.470 8.104 -9.847 765 1HB ASP 102 1HB ASP 102 -7.895 6.390 -11.197 766 2HB ASP 102 2HB ASP 102 -6.311 6.315 -10.444 767 H VAL 103 H VAL 103 -7.225 7.449 -6.754 768 HA VAL 103 HA VAL 103 -10.043 6.882 -5.998 769 HB VAL 103 HB VAL 103 -7.939 5.086 -5.675 770 1HG1 VAL 103 1HG1 VAL 103 -7.787 4.551 -3.313 771 2HG1 VAL 103 2HG1 VAL 103 -7.029 6.094 -3.698 772 3HG1 VAL 103 3HG1 VAL 103 -8.623 6.053 -2.897 773 1HG2 VAL 103 1HG2 VAL 103 -10.278 4.589 -6.028 774 2HG2 VAL 103 2HG2 VAL 103 -9.667 3.697 -4.624 775 3HG2 VAL 103 3HG2 VAL 103 -10.675 5.153 -4.413 776 H LEU 104 H LEU 104 -7.663 9.206 -5.883 777 HA LEU 104 HA LEU 104 -8.820 10.357 -3.446 778 1HB LEU 104 1HB LEU 104 -6.158 10.611 -4.855 779 2HB LEU 104 2HB LEU 104 -6.765 11.927 -3.935 780 HG LEU 104 HG LEU 104 -5.391 10.808 -2.411 781 1HD1 LEU 104 1HD1 LEU 104 -8.004 9.378 -1.798 782 2HD1 LEU 104 2HD1 LEU 104 -6.702 9.790 -0.683 783 3HD1 LEU 104 3HD1 LEU 104 -7.686 11.087 -1.400 784 1HD2 LEU 104 1HD2 LEU 104 -4.994 8.822 -3.782 785 2HD2 LEU 104 2HD2 LEU 104 -5.272 8.406 -2.076 786 3HD2 LEU 104 3HD2 LEU 104 -6.550 8.153 -3.274 787 H GLN 105 H GLN 105 -9.009 10.525 -6.814 788 HA GLN 105 HA GLN 105 -9.995 13.082 -7.342 789 1HB GLN 105 2HB GLN 105 -9.549 11.343 -8.993 790 2HB GLN 105 3HB GLN 105 -10.844 10.358 -8.333 791 1HG GLN 105 2HG GLN 105 -12.518 12.024 -9.041 792 2HG GLN 105 3HG GLN 105 -11.238 13.134 -9.544 793 1HE2 GLN 105 1HE2 GLN 105 -9.524 11.882 -11.127 794 2HE2 GLN 105 2HE2 GLN 105 -10.346 11.049 -12.442
Contact the webmaster for help, if required. Friday, May 17, 2024 8:35:42 AM GMT (wattos1)