NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20312 | 2fhm | 6884 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 2.019 -0.485 2.350 2 2H MET 1 2H MET 1 1.934 -2.034 1.817 3 3H MET 1 3H MET 1 3.353 -1.239 1.751 4 HA MET 1 HA MET 1 0.939 -0.586 0.202 5 1HB MET 1 1HB MET 1 3.650 0.780 0.340 6 2HB MET 1 2HB MET 1 2.643 0.853 -1.103 7 1HG MET 1 1HG MET 1 0.765 1.788 0.192 8 2HG MET 1 2HG MET 1 1.785 1.805 1.639 9 1HE MET 1 1HE MET 1 1.086 3.124 -1.854 10 2HE MET 1 2HE MET 1 2.255 4.440 -2.134 11 3HE MET 1 3HE MET 1 2.781 2.740 -2.176 12 H LEU 2 H LEU 2 1.664 -0.633 -2.316 13 HA LEU 2 HA LEU 2 2.585 -3.439 -2.717 14 1HB LEU 2 1HB LEU 2 -0.079 -2.097 -2.979 15 2HB LEU 2 2HB LEU 2 0.420 -3.039 -4.366 16 HG LEU 2 HG LEU 2 0.829 -5.022 -2.916 17 1HD1 LEU 2 1HD1 LEU 2 -0.680 -3.354 -0.862 18 2HD1 LEU 2 2HD1 LEU 2 -0.475 -5.114 -0.771 19 3HD1 LEU 2 3HD1 LEU 2 0.941 -4.072 -0.686 20 1HD2 LEU 2 1HD2 LEU 2 -1.571 -5.618 -2.848 21 2HD2 LEU 2 2HD2 LEU 2 -1.984 -3.911 -3.109 22 3HD2 LEU 2 3HD2 LEU 2 -1.119 -4.822 -4.362 23 H GLN 3 H GLN 3 2.518 -3.946 -5.108 24 HA GLN 3 HA GLN 3 3.008 -1.731 -6.956 25 1HB GLN 3 1HB GLN 3 5.243 -2.521 -5.951 26 2HB GLN 3 2HB GLN 3 4.881 -4.116 -6.607 27 1HG GLN 3 1HG GLN 3 4.812 -2.954 -8.929 28 2HG GLN 3 2HG GLN 3 5.459 -1.539 -8.100 29 1HE2 GLN 3 2HE2 GLN 3 7.535 -1.404 -8.850 30 2HE2 GLN 3 1HE2 GLN 3 8.706 -2.715 -8.730 31 H TYR 4 H TYR 4 2.575 -2.465 -9.184 32 HA TYR 4 HA TYR 4 1.640 -5.272 -9.434 33 1HB TYR 4 1HB TYR 4 0.044 -4.700 -11.148 34 2HB TYR 4 2HB TYR 4 -0.349 -3.955 -9.624 35 HD1 TYR 4 HD1 TYR 4 -1.644 -2.092 -10.108 36 HD2 TYR 4 HD2 TYR 4 1.772 -2.798 -12.632 37 HE1 TYR 4 HE1 TYR 4 -1.881 0.166 -11.074 38 HE2 TYR 4 HE2 TYR 4 1.562 -0.553 -13.567 39 HH TYR 4 HH TYR 4 0.465 1.501 -13.443 40 H ARG 5 H ARG 5 1.921 -6.168 -11.541 41 HA ARG 5 HA ARG 5 3.271 -4.472 -13.527 42 1HB ARG 5 1HB ARG 5 4.959 -6.217 -12.787 43 2HB ARG 5 2HB ARG 5 3.826 -7.465 -13.329 44 1HG ARG 5 1HG ARG 5 3.891 -6.412 -15.641 45 2HG ARG 5 2HG ARG 5 5.132 -5.302 -15.059 46 1HD ARG 5 1HD ARG 5 5.332 -8.343 -15.138 47 2HD ARG 5 2HD ARG 5 6.043 -7.255 -16.317 48 HE ARG 5 HE ARG 5 6.892 -7.710 -13.519 49 1HH1 ARG 5 1HH2 ARG 5 7.614 -6.049 -16.637 50 2HH1 ARG 5 2HH2 ARG 5 9.204 -5.616 -16.130 51 1HH2 ARG 5 1HH1 ARG 5 9.006 -7.111 -12.931 52 2HH2 ARG 5 2HH1 ARG 5 10.011 -6.233 -14.014 53 H ILE 6 H ILE 6 2.084 -4.607 -15.472 54 HA ILE 6 HA ILE 6 -0.266 -6.435 -15.568 55 HB ILE 6 HB ILE 6 -0.186 -3.421 -16.020 56 1HG1 ILE 6 1HG1 ILE 6 -1.946 -5.018 -14.125 57 2HG1 ILE 6 2HG1 ILE 6 -0.449 -4.237 -13.629 58 1HG2 ILE 6 1HG2 ILE 6 -1.544 -4.397 -17.793 59 2HG2 ILE 6 2HG2 ILE 6 -2.458 -5.367 -16.614 60 3HG2 ILE 6 3HG2 ILE 6 -2.603 -3.597 -16.657 61 1HD1 ILE 6 1HD1 ILE 6 -2.240 -2.829 -13.003 62 2HD1 ILE 6 2HD1 ILE 6 -1.378 -2.041 -14.336 63 3HD1 ILE 6 3HD1 ILE 6 -2.951 -2.843 -14.619 64 H ILE 7 H ILE 7 -0.671 -7.137 -17.661 65 HA ILE 7 HA ILE 7 0.839 -5.912 -19.871 66 HB ILE 7 HB ILE 7 0.386 -8.716 -20.412 67 1HG1 ILE 7 1HG1 ILE 7 0.836 -9.097 -17.948 68 2HG1 ILE 7 2HG1 ILE 7 1.836 -9.947 -19.101 69 1HG2 ILE 7 1HG2 ILE 7 2.928 -7.077 -20.385 70 2HG2 ILE 7 2HG2 ILE 7 2.708 -8.667 -21.158 71 3HG2 ILE 7 3HG2 ILE 7 1.783 -7.261 -21.705 72 1HD1 ILE 7 1HD1 ILE 7 3.736 -8.475 -18.689 73 2HD1 ILE 7 2HD1 ILE 7 2.759 -7.460 -17.609 74 3HD1 ILE 7 3HD1 ILE 7 3.126 -9.132 -17.163 75 H VAL 8 H VAL 8 -0.534 -5.598 -21.659 76 HA VAL 8 HA VAL 8 -3.227 -6.836 -21.596 77 HB VAL 8 HB VAL 8 -4.158 -4.559 -22.238 78 1HG1 VAL 8 1HG1 VAL 8 -3.190 -4.882 -19.385 79 2HG1 VAL 8 2HG1 VAL 8 -4.554 -3.890 -19.945 80 3HG1 VAL 8 3HG1 VAL 8 -4.616 -5.641 -20.124 81 1HG2 VAL 8 1HG2 VAL 8 -1.641 -3.474 -20.897 82 2HG2 VAL 8 2HG2 VAL 8 -2.062 -3.336 -22.620 83 3HG2 VAL 8 3HG2 VAL 8 -3.066 -2.546 -21.401 84 H ASP 9 H ASP 9 -4.264 -6.964 -23.579 85 HA ASP 9 HA ASP 9 -2.795 -6.137 -26.013 86 1HB ASP 9 1HB ASP 9 -2.378 -8.614 -25.269 87 2HB ASP 9 2HB ASP 9 -4.039 -8.893 -25.754 88 H GLY 10 H GLY 10 -4.283 -6.029 -27.857 89 1HA GLY 10 1HA GLY 10 -6.838 -6.260 -28.368 90 2HA GLY 10 2HA GLY 10 -6.953 -5.114 -27.009 91 H ARG 11 H ARG 11 -7.677 -3.464 -28.490 92 HA ARG 11 HA ARG 11 -5.600 -2.327 -30.276 93 1HB ARG 11 1HB ARG 11 -8.046 -2.207 -30.955 94 2HB ARG 11 2HB ARG 11 -8.339 -1.224 -29.519 95 1HG ARG 11 1HG ARG 11 -6.592 0.422 -30.452 96 2HG ARG 11 2HG ARG 11 -6.683 -0.507 -31.959 97 1HD ARG 11 1HD ARG 11 -9.148 -0.076 -32.020 98 2HD ARG 11 2HD ARG 11 -9.007 0.842 -30.508 99 HE ARG 11 HE ARG 11 -7.270 1.766 -32.666 100 1HH1 ARG 11 1HH2 ARG 11 -10.391 2.244 -31.023 101 2HH1 ARG 11 2HH2 ARG 11 -10.837 3.607 -31.989 102 1HH2 ARG 11 1HH1 ARG 11 -7.774 3.714 -33.779 103 2HH2 ARG 11 2HH1 ARG 11 -9.243 4.551 -33.463 104 H VAL 12 H VAL 12 -4.251 -2.531 -28.198 105 HA VAL 12 HA VAL 12 -4.912 -0.570 -26.098 106 HB VAL 12 HB VAL 12 -3.010 -1.648 -24.890 107 1HG1 VAL 12 1HG1 VAL 12 -5.338 -2.322 -24.581 108 2HG1 VAL 12 2HG1 VAL 12 -5.208 -3.502 -25.892 109 3HG1 VAL 12 3HG1 VAL 12 -4.245 -3.711 -24.418 110 1HG2 VAL 12 1HG2 VAL 12 -2.040 -3.721 -25.664 111 2HG2 VAL 12 2HG2 VAL 12 -2.991 -3.699 -27.158 112 3HG2 VAL 12 3HG2 VAL 12 -1.723 -2.485 -26.885 113 H GLN 13 H GLN 13 -4.164 0.417 -28.769 114 HA GLN 13 HA GLN 13 -2.554 2.532 -27.863 115 1HB GLN 13 1HB GLN 13 -0.891 0.520 -28.701 116 2HB GLN 13 2HB GLN 13 -1.226 1.267 -30.251 117 1HG GLN 13 1HG GLN 13 0.811 2.186 -29.295 118 2HG GLN 13 2HG GLN 13 -0.403 3.457 -29.331 119 1HE2 GLN 13 2HE2 GLN 13 1.152 1.050 -27.120 120 2HE2 GLN 13 1HE2 GLN 13 0.823 1.939 -25.663 121 H GLY 14 H GLY 14 -2.070 3.830 -30.250 122 1HA GLY 14 1HA GLY 14 -3.626 3.590 -32.444 123 2HA GLY 14 2HA GLY 14 -4.767 4.303 -31.283 124 H VAL 15 H VAL 15 -3.201 5.942 -29.789 125 HA VAL 15 HA VAL 15 -1.282 7.415 -31.387 126 HB VAL 15 HB VAL 15 -3.350 8.488 -32.102 127 1HG1 VAL 15 1HG1 VAL 15 -3.850 9.253 -29.199 128 2HG1 VAL 15 2HG1 VAL 15 -4.759 9.816 -30.614 129 3HG1 VAL 15 3HG1 VAL 15 -4.807 8.110 -30.175 130 1HG2 VAL 15 1HG2 VAL 15 -1.785 10.371 -30.307 131 2HG2 VAL 15 2HG2 VAL 15 -1.294 9.841 -31.932 132 3HG2 VAL 15 3HG2 VAL 15 -2.770 10.795 -31.720 133 H GLY 16 H GLY 16 -2.964 6.869 -28.250 134 1HA GLY 16 1HA GLY 16 -0.454 7.047 -26.838 135 2HA GLY 16 2HA GLY 16 -1.447 8.498 -26.625 136 H PHE 17 H PHE 17 -2.268 4.939 -26.757 137 HA PHE 17 HA PHE 17 -4.071 5.157 -24.481 138 1HB PHE 17 1HB PHE 17 -4.211 3.323 -26.167 139 2HB PHE 17 2HB PHE 17 -2.657 2.725 -25.602 140 HD1 PHE 17 HD1 PHE 17 -2.652 1.000 -23.970 141 HD2 PHE 17 HD2 PHE 17 -6.044 3.649 -24.213 142 HE1 PHE 17 HE1 PHE 17 -3.873 -0.408 -22.342 143 HE2 PHE 17 HE2 PHE 17 -7.268 2.223 -22.594 144 HZ PHE 17 HZ PHE 17 -6.195 0.185 -21.666 145 H ARG 18 H ARG 18 -0.611 4.317 -25.001 146 HA ARG 18 HA ARG 18 -0.103 3.690 -22.283 147 1HB ARG 18 1HB ARG 18 2.177 3.790 -22.734 148 2HB ARG 18 2HB ARG 18 1.414 3.134 -24.161 149 1HG ARG 18 1HG ARG 18 1.718 5.366 -25.293 150 2HG ARG 18 2HG ARG 18 2.457 5.978 -23.806 151 1HD ARG 18 1HD ARG 18 4.321 5.405 -25.037 152 2HD ARG 18 2HD ARG 18 4.119 3.974 -24.009 153 HE ARG 18 HE ARG 18 2.697 3.422 -26.347 154 1HH1 ARG 18 1HH2 ARG 18 6.173 4.143 -25.607 155 2HH1 ARG 18 2HH2 ARG 18 6.654 3.552 -27.188 156 1HH2 ARG 18 1HH1 ARG 18 3.588 2.600 -28.379 157 2HH2 ARG 18 2HH1 ARG 18 5.320 2.712 -28.614 158 H TYR 19 H TYR 19 -0.332 6.881 -23.880 159 HA TYR 19 HA TYR 19 0.592 8.327 -21.545 160 1HB TYR 19 1HB TYR 19 0.537 9.286 -23.858 161 2HB TYR 19 2HB TYR 19 -1.224 9.291 -23.790 162 HD1 TYR 19 HD1 TYR 19 -2.426 11.025 -22.608 163 HD2 TYR 19 HD2 TYR 19 1.865 10.708 -22.247 164 HE1 TYR 19 HE1 TYR 19 -2.356 13.234 -21.491 165 HE2 TYR 19 HE2 TYR 19 1.941 12.901 -21.108 166 HH TYR 19 HH TYR 19 0.705 14.724 -20.336 167 H PHE 20 H PHE 20 -2.661 7.364 -22.819 168 HA PHE 20 HA PHE 20 -4.217 8.559 -20.839 169 1HB PHE 20 1HB PHE 20 -5.467 7.663 -22.586 170 2HB PHE 20 2HB PHE 20 -4.600 6.141 -22.579 171 HD1 PHE 20 HD1 PHE 20 -7.190 8.092 -20.705 172 HD2 PHE 20 HD2 PHE 20 -5.303 4.257 -21.293 173 HE1 PHE 20 HE1 PHE 20 -8.922 7.014 -19.292 174 HE2 PHE 20 HE2 PHE 20 -7.029 3.186 -19.865 175 HZ PHE 20 HZ PHE 20 -8.843 4.563 -18.868 176 H VAL 21 H VAL 21 -2.786 5.185 -20.665 177 HA VAL 21 HA VAL 21 -3.929 4.797 -18.126 178 HB VAL 21 HB VAL 21 -2.466 2.984 -17.820 179 1HG1 VAL 21 1HG1 VAL 21 -4.394 2.715 -19.350 180 2HG1 VAL 21 2HG1 VAL 21 -3.334 3.026 -20.738 181 3HG1 VAL 21 3HG1 VAL 21 -3.070 1.603 -19.725 182 1HG2 VAL 21 1HG2 VAL 21 -0.716 2.264 -19.375 183 2HG2 VAL 21 2HG2 VAL 21 -0.918 3.766 -20.289 184 3HG2 VAL 21 3HG2 VAL 21 -0.282 3.797 -18.626 185 H GLN 22 H GLN 22 -0.809 6.408 -18.998 186 HA GLN 22 HA GLN 22 -0.118 6.685 -16.202 187 1HB GLN 22 1HB GLN 22 0.943 8.173 -18.617 188 2HB GLN 22 2HB GLN 22 1.632 8.193 -16.998 189 1HG GLN 22 1HG GLN 22 1.411 5.723 -18.769 190 2HG GLN 22 2HG GLN 22 2.841 6.708 -18.547 191 1HE2 GLN 22 2HE2 GLN 22 4.318 5.451 -17.420 192 2HE2 GLN 22 1HE2 GLN 22 3.893 4.547 -15.969 193 H MET 23 H MET 23 -2.258 8.532 -18.281 194 HA MET 23 HA MET 23 -2.393 10.852 -16.509 195 1HB MET 23 1HB MET 23 -4.655 9.682 -18.182 196 2HB MET 23 2HB MET 23 -4.629 11.238 -17.380 197 1HG MET 23 1HG MET 23 -2.668 11.868 -18.860 198 2HG MET 23 2HG MET 23 -3.016 10.413 -19.800 199 1HE MET 23 1HE MET 23 -5.419 10.177 -21.366 200 2HE MET 23 2HE MET 23 -6.116 10.121 -19.723 201 3HE MET 23 3HE MET 23 -6.788 11.214 -20.951 202 H GLU 24 H GLU 24 -4.170 7.714 -16.758 203 HA GLU 24 HA GLU 24 -5.800 8.179 -14.462 204 1HB GLU 24 1HB GLU 24 -4.963 5.577 -15.810 205 2HB GLU 24 2HB GLU 24 -6.236 5.729 -14.606 206 1HG GLU 24 1HG GLU 24 -6.256 7.153 -17.325 207 2HG GLU 24 2HG GLU 24 -7.076 5.640 -16.947 208 H ALA 25 H ALA 25 -2.532 6.826 -14.825 209 HA ALA 25 HA ALA 25 -2.140 5.936 -12.161 210 1HB ALA 25 1HB ALA 25 0.256 6.205 -12.618 211 2HB ALA 25 2HB ALA 25 -0.527 5.530 -14.056 212 3HB ALA 25 3HB ALA 25 -0.065 7.245 -13.995 213 H ASP 26 H ASP 26 -1.384 9.136 -13.659 214 HA ASP 26 HA ASP 26 -0.565 10.399 -11.240 215 1HB ASP 26 1HB ASP 26 -0.009 11.360 -13.376 216 2HB ASP 26 2HB ASP 26 -1.709 11.550 -13.810 217 H LYS 27 H LYS 27 -3.765 10.237 -12.816 218 HA LYS 27 HA LYS 27 -5.208 11.917 -11.109 219 1HB LYS 27 1HB LYS 27 -6.067 11.126 -13.195 220 2HB LYS 27 2HB LYS 27 -5.976 9.447 -12.695 221 1HG LYS 27 1HG LYS 27 -7.755 11.295 -11.118 222 2HG LYS 27 2HG LYS 27 -8.265 10.851 -12.735 223 1HD LYS 27 1HD LYS 27 -7.495 8.774 -10.650 224 2HD LYS 27 2HD LYS 27 -9.143 9.372 -10.841 225 1HE LYS 27 1HE LYS 27 -7.500 7.970 -12.996 226 2HE LYS 27 2HE LYS 27 -8.687 7.181 -11.963 227 1HZ LYS 27 1HZ LYS 27 -9.537 7.784 -14.149 228 2HZ LYS 27 2HZ LYS 27 -10.415 8.512 -12.954 229 3HZ LYS 27 3HZ LYS 27 -9.330 9.367 -13.852 230 H ARG 28 H ARG 28 -4.027 8.646 -10.435 231 HA ARG 28 HA ARG 28 -5.289 8.879 -7.745 232 1HB ARG 28 1HB ARG 28 -5.962 6.998 -9.577 233 2HB ARG 28 2HB ARG 28 -4.626 6.149 -8.804 234 1HG ARG 28 1HG ARG 28 -5.737 6.255 -6.644 235 2HG ARG 28 2HG ARG 28 -6.903 7.454 -7.230 236 1HD ARG 28 1HD ARG 28 -7.857 5.793 -8.804 237 2HD ARG 28 2HD ARG 28 -6.717 4.590 -8.227 238 HE ARG 28 HE ARG 28 -7.930 4.351 -6.234 239 1HH1 ARG 28 1HH2 ARG 28 -9.345 7.015 -8.123 240 2HH1 ARG 28 2HH2 ARG 28 -10.777 7.093 -7.167 241 1HH2 ARG 28 1HH1 ARG 28 -9.781 4.470 -4.978 242 2HH2 ARG 28 2HH1 ARG 28 -11.036 5.616 -5.332 243 H LYS 29 H LYS 29 -2.658 9.798 -8.855 244 HA LYS 29 HA LYS 29 -0.457 9.772 -8.471 245 1HB LYS 29 1HB LYS 29 -1.529 9.751 -5.627 246 2HB LYS 29 2HB LYS 29 0.089 10.282 -6.085 247 1HG LYS 29 1HG LYS 29 -2.492 11.572 -7.074 248 2HG LYS 29 2HG LYS 29 -1.503 12.160 -5.741 249 1HD LYS 29 1HD LYS 29 0.382 12.599 -7.222 250 2HD LYS 29 2HD LYS 29 -0.469 11.880 -8.601 251 1HE LYS 29 1HE LYS 29 -2.254 13.580 -8.405 252 2HE LYS 29 2HE LYS 29 -1.366 14.355 -7.081 253 1HZ LYS 29 1HZ LYS 29 0.448 14.762 -8.646 254 2HZ LYS 29 2HZ LYS 29 -0.370 14.018 -9.863 255 3HZ LYS 29 3HZ LYS 29 -0.933 15.415 -9.216 256 H LEU 30 H LEU 30 -1.040 7.309 -9.248 257 HA LEU 30 HA LEU 30 0.730 5.454 -7.758 258 1HB LEU 30 1HB LEU 30 -0.392 5.400 -10.594 259 2HB LEU 30 2HB LEU 30 0.571 4.123 -9.859 260 HG LEU 30 HG LEU 30 -2.206 5.014 -8.944 261 1HD1 LEU 30 1HD1 LEU 30 -2.888 2.794 -9.764 262 2HD1 LEU 30 2HD1 LEU 30 -2.233 3.811 -11.057 263 3HD1 LEU 30 3HD1 LEU 30 -1.241 2.509 -10.379 264 1HD2 LEU 30 1HD2 LEU 30 -2.041 2.888 -7.546 265 2HD2 LEU 30 2HD2 LEU 30 -0.306 2.887 -7.906 266 3HD2 LEU 30 3HD2 LEU 30 -1.034 4.235 -6.997 267 H ALA 31 H ALA 31 2.798 4.804 -8.884 268 HA ALA 31 HA ALA 31 3.952 6.815 -10.719 269 1HB ALA 31 1HB ALA 31 5.948 7.045 -9.253 270 2HB ALA 31 2HB ALA 31 4.494 7.680 -8.470 271 3HB ALA 31 3HB ALA 31 5.137 6.091 -7.994 272 H GLY 32 H GLY 32 5.237 5.759 -12.232 273 1HA GLY 32 1HA GLY 32 6.571 3.273 -11.960 274 2HA GLY 32 2HA GLY 32 4.883 2.985 -12.413 275 H TRP 33 H TRP 33 5.864 2.058 -14.433 276 HA TRP 33 HA TRP 33 6.275 4.197 -16.421 277 1HB TRP 33 1HB TRP 33 8.032 3.032 -17.526 278 2HB TRP 33 2HB TRP 33 8.472 3.345 -15.864 279 HD1 TRP 33 HD1 TRP 33 7.021 0.341 -17.878 280 HE1 TRP 33 HE1 TRP 33 8.195 -1.791 -17.154 281 HE3 TRP 33 HE3 TRP 33 9.997 2.285 -14.183 282 HZ2 TRP 33 HZ2 TRP 33 10.272 -2.567 -15.283 283 HZ3 TRP 33 HZ3 TRP 33 11.590 0.823 -12.973 284 HH2 TRP 33 HH2 TRP 33 11.744 -1.599 -13.518 285 H VAL 34 H VAL 34 5.816 3.581 -18.639 286 HA VAL 34 HA VAL 34 4.243 1.068 -19.030 287 HB VAL 34 HB VAL 34 2.682 2.972 -18.778 288 1HG1 VAL 34 1HG1 VAL 34 4.096 4.784 -19.669 289 2HG1 VAL 34 2HG1 VAL 34 4.042 4.050 -21.281 290 3HG1 VAL 34 3HG1 VAL 34 2.566 4.684 -20.536 291 1HG2 VAL 34 1HG2 VAL 34 2.755 1.826 -21.597 292 2HG2 VAL 34 2HG2 VAL 34 2.130 1.002 -20.163 293 3HG2 VAL 34 3HG2 VAL 34 1.354 2.485 -20.733 294 H LYS 35 H LYS 35 4.456 0.099 -21.044 295 HA LYS 35 HA LYS 35 6.631 0.996 -22.863 296 1HB LYS 35 1HB LYS 35 7.586 -0.294 -20.925 297 2HB LYS 35 2HB LYS 35 6.439 -1.589 -21.252 298 1HG LYS 35 1HG LYS 35 7.600 -1.951 -23.483 299 2HG LYS 35 2HG LYS 35 8.767 -0.713 -23.008 300 1HD LYS 35 1HD LYS 35 9.692 -2.915 -22.599 301 2HD LYS 35 2HD LYS 35 9.406 -2.125 -21.038 302 1HE LYS 35 1HE LYS 35 7.325 -3.403 -20.735 303 2HE LYS 35 2HE LYS 35 7.466 -4.086 -22.357 304 1HZ LYS 35 1HZ LYS 35 9.435 -5.288 -21.605 305 2HZ LYS 35 2HZ LYS 35 9.310 -4.639 -20.106 306 3HZ LYS 35 3HZ LYS 35 8.134 -5.637 -20.660 307 H ASN 36 H ASN 36 6.562 -0.267 -24.877 308 HA ASN 36 HA ASN 36 4.184 -2.050 -25.214 309 1HB ASN 36 1HB ASN 36 3.599 -0.317 -26.673 310 2HB ASN 36 2HB ASN 36 5.262 -0.024 -27.165 311 1HD2 ASN 36 2HD2 ASN 36 3.108 -3.031 -27.173 312 2HD2 ASN 36 1HD2 ASN 36 3.506 -3.385 -28.822 313 H ARG 37 H ARG 37 4.747 -4.069 -25.560 314 HA ARG 37 HA ARG 37 7.580 -4.811 -25.509 315 1HB ARG 37 1HB ARG 37 4.932 -6.321 -25.584 316 2HB ARG 37 2HB ARG 37 6.498 -7.130 -25.462 317 1HG ARG 37 1HG ARG 37 6.891 -6.365 -23.270 318 2HG ARG 37 2HG ARG 37 5.732 -5.033 -23.402 319 1HD ARG 37 1HD ARG 37 4.828 -6.843 -21.981 320 2HD ARG 37 2HD ARG 37 3.857 -6.531 -23.392 321 HE ARG 37 HE ARG 37 4.578 -8.573 -24.371 322 1HH1 ARG 37 1HH2 ARG 37 6.114 -8.046 -21.173 323 2HH1 ARG 37 2HH2 ARG 37 6.431 -9.730 -20.919 324 1HH2 ARG 37 1HH1 ARG 37 4.941 -10.762 -24.016 325 2HH2 ARG 37 2HH1 ARG 37 5.775 -11.330 -22.597 326 H ASP 38 H ASP 38 8.611 -6.048 -27.140 327 HA ASP 38 HA ASP 38 7.967 -5.549 -29.867 328 1HB ASP 38 1HB ASP 38 10.225 -6.106 -29.111 329 2HB ASP 38 2HB ASP 38 9.686 -7.701 -28.576 330 H ASP 39 H ASP 39 6.940 -8.085 -27.628 331 HA ASP 39 HA ASP 39 5.881 -9.856 -29.626 332 1HB ASP 39 1HB ASP 39 5.268 -11.235 -27.944 333 2HB ASP 39 2HB ASP 39 6.589 -10.376 -27.172 334 H GLY 40 H GLY 40 4.775 -6.813 -28.619 335 1HA GLY 40 1HA GLY 40 3.106 -5.820 -29.961 336 2HA GLY 40 2HA GLY 40 2.181 -7.324 -29.974 337 H ARG 41 H ARG 41 2.863 -7.422 -26.853 338 HA ARG 41 HA ARG 41 0.323 -6.227 -26.037 339 1HB ARG 41 1HB ARG 41 2.594 -7.701 -24.716 340 2HB ARG 41 2HB ARG 41 1.565 -6.703 -23.715 341 1HG ARG 41 1HG ARG 41 0.938 -9.096 -23.717 342 2HG ARG 41 2HG ARG 41 -0.348 -7.990 -24.137 343 1HD ARG 41 1HD ARG 41 -0.574 -9.831 -25.564 344 2HD ARG 41 2HD ARG 41 0.036 -8.513 -26.577 345 HE ARG 41 HE ARG 41 2.295 -9.945 -25.756 346 1HH1 ARG 41 1HH2 ARG 41 -0.666 -10.534 -27.675 347 2HH1 ARG 41 2HH2 ARG 41 -0.025 -11.952 -28.444 348 1HH2 ARG 41 1HH1 ARG 41 3.073 -11.813 -26.661 349 2HH2 ARG 41 2HH1 ARG 41 2.193 -12.707 -27.881 350 H VAL 42 H VAL 42 0.171 -4.653 -24.272 351 HA VAL 42 HA VAL 42 2.440 -2.714 -24.110 352 HB VAL 42 HB VAL 42 -0.547 -2.381 -23.837 353 1HG1 VAL 42 1HG1 VAL 42 -0.240 -0.173 -22.787 354 2HG1 VAL 42 2HG1 VAL 42 0.257 -1.476 -21.705 355 3HG1 VAL 42 3HG1 VAL 42 1.489 -0.512 -22.555 356 1HG2 VAL 42 1HG2 VAL 42 1.661 -0.726 -25.121 357 2HG2 VAL 42 2HG2 VAL 42 0.571 -1.851 -25.970 358 3HG2 VAL 42 3HG2 VAL 42 -0.081 -0.399 -25.200 359 H GLU 43 H GLU 43 3.151 -2.251 -21.965 360 HA GLU 43 HA GLU 43 2.349 -4.202 -19.889 361 1HB GLU 43 1HB GLU 43 4.360 -4.975 -21.225 362 2HB GLU 43 2HB GLU 43 5.228 -3.565 -20.628 363 1HG GLU 43 1HG GLU 43 4.866 -4.361 -18.289 364 2HG GLU 43 2HG GLU 43 4.014 -5.774 -18.901 365 H ILE 44 H ILE 44 2.547 -3.331 -17.801 366 HA ILE 44 HA ILE 44 3.417 -0.513 -17.535 367 HB ILE 44 HB ILE 44 0.892 -1.504 -16.254 368 1HG1 ILE 44 1HG1 ILE 44 0.824 -0.470 -19.109 369 2HG1 ILE 44 2HG1 ILE 44 0.415 -2.104 -18.582 370 1HG2 ILE 44 1HG2 ILE 44 0.347 0.816 -16.126 371 2HG2 ILE 44 2HG2 ILE 44 2.053 0.723 -15.742 372 3HG2 ILE 44 3HG2 ILE 44 1.555 1.254 -17.357 373 1HD1 ILE 44 1HD1 ILE 44 -1.133 0.401 -17.863 374 2HD1 ILE 44 2HD1 ILE 44 -1.608 -0.891 -18.974 375 3HD1 ILE 44 3HD1 ILE 44 -1.457 -1.238 -17.241 376 H LEU 45 H LEU 45 4.215 -0.105 -15.385 377 HA LEU 45 HA LEU 45 3.890 -2.199 -13.316 378 1HB LEU 45 1HB LEU 45 5.810 -2.997 -14.531 379 2HB LEU 45 2HB LEU 45 6.563 -1.409 -14.545 380 HG LEU 45 HG LEU 45 5.943 -2.569 -11.834 381 1HD1 LEU 45 1HD1 LEU 45 6.801 -4.534 -13.019 382 2HD1 LEU 45 2HD1 LEU 45 8.206 -3.605 -13.590 383 3HD1 LEU 45 3HD1 LEU 45 7.992 -3.943 -11.856 384 1HD2 LEU 45 1HD2 LEU 45 8.344 -1.103 -13.011 385 2HD2 LEU 45 2HD2 LEU 45 7.084 -0.384 -12.004 386 3HD2 LEU 45 3HD2 LEU 45 8.170 -1.589 -11.319 387 H ALA 46 H ALA 46 3.663 -1.142 -11.312 388 HA ALA 46 HA ALA 46 4.862 1.478 -10.877 389 1HB ALA 46 1HB ALA 46 2.751 2.019 -12.200 390 2HB ALA 46 2HB ALA 46 1.820 1.183 -10.929 391 3HB ALA 46 3HB ALA 46 2.711 2.647 -10.540 392 H GLU 47 H GLU 47 4.612 2.197 -8.724 393 HA GLU 47 HA GLU 47 3.795 0.160 -6.730 394 1HB GLU 47 1HB GLU 47 4.918 1.529 -5.095 395 2HB GLU 47 2HB GLU 47 6.015 1.008 -6.367 396 1HG GLU 47 1HG GLU 47 6.020 3.230 -7.366 397 2HG GLU 47 2HG GLU 47 4.736 3.781 -6.284 398 H GLY 48 H GLY 48 2.326 0.850 -4.979 399 1HA GLY 48 1HA GLY 48 1.244 3.382 -4.602 400 2HA GLY 48 2HA GLY 48 0.189 2.594 -5.777 401 HA PRO 49 HA PRO 49 -1.167 0.952 -1.667 402 1HB PRO 49 1HB PRO 49 -3.500 2.313 -1.270 403 2HB PRO 49 2HB PRO 49 -1.911 2.916 -0.706 404 1HG PRO 49 1HG PRO 49 -3.437 3.694 -3.180 405 2HG PRO 49 2HG PRO 49 -2.580 4.760 -2.033 406 1HD PRO 49 1HD PRO 49 -1.474 3.922 -4.433 407 2HD PRO 49 2HD PRO 49 -0.503 4.294 -2.987 408 H GLU 50 H GLU 50 -2.947 -0.562 -1.504 409 HA GLU 50 HA GLU 50 -3.300 -2.000 -3.850 410 1HB GLU 50 1HB GLU 50 -3.459 -2.888 -1.536 411 2HB GLU 50 2HB GLU 50 -5.012 -2.075 -1.327 412 1HG GLU 50 1HG GLU 50 -5.985 -3.448 -3.156 413 2HG GLU 50 2HG GLU 50 -4.422 -4.221 -3.419 414 H ASN 51 H ASN 51 -5.728 0.164 -2.276 415 HA ASN 51 HA ASN 51 -7.796 -0.355 -4.162 416 1HB ASN 51 1HB ASN 51 -8.278 0.758 -2.031 417 2HB ASN 51 2HB ASN 51 -7.258 2.134 -2.475 418 1HD2 ASN 51 2HD2 ASN 51 -10.332 0.447 -3.258 419 2HD2 ASN 51 1HD2 ASN 51 -11.023 1.779 -4.141 420 H ALA 52 H ALA 52 -5.087 1.997 -4.264 421 HA ALA 52 HA ALA 52 -6.147 3.437 -6.527 422 1HB ALA 52 1HB ALA 52 -3.844 4.354 -6.699 423 2HB ALA 52 2HB ALA 52 -4.481 4.462 -5.052 424 3HB ALA 52 3HB ALA 52 -3.303 3.189 -5.467 425 H LEU 53 H LEU 53 -3.783 0.802 -6.112 426 HA LEU 53 HA LEU 53 -3.095 0.507 -8.852 427 1HB LEU 53 1HB LEU 53 -3.066 -1.424 -6.506 428 2HB LEU 53 2HB LEU 53 -2.359 -1.815 -8.060 429 HG LEU 53 HG LEU 53 -1.486 0.603 -6.411 430 1HD1 LEU 53 1HD1 LEU 53 -1.108 -1.409 -5.126 431 2HD1 LEU 53 2HD1 LEU 53 -0.336 -2.212 -6.519 432 3HD1 LEU 53 3HD1 LEU 53 0.439 -0.812 -5.743 433 1HD2 LEU 53 1HD2 LEU 53 -0.850 0.653 -8.848 434 2HD2 LEU 53 2HD2 LEU 53 0.520 0.605 -7.741 435 3HD2 LEU 53 3HD2 LEU 53 0.046 -0.864 -8.587 436 H GLN 54 H GLN 54 -5.632 -1.119 -6.902 437 HA GLN 54 HA GLN 54 -6.468 -2.746 -9.102 438 1HB GLN 54 1HB GLN 54 -7.817 -2.016 -6.470 439 2HB GLN 54 2HB GLN 54 -8.521 -3.142 -7.632 440 1HG GLN 54 1HG GLN 54 -5.819 -3.489 -6.257 441 2HG GLN 54 2HG GLN 54 -7.302 -4.328 -5.836 442 1HE2 GLN 54 2HE2 GLN 54 -4.434 -4.910 -7.297 443 2HE2 GLN 54 1HE2 GLN 54 -4.923 -6.069 -8.505 444 H SER 55 H SER 55 -7.633 0.418 -7.915 445 HA SER 55 HA SER 55 -9.862 0.593 -9.712 446 1HB SER 55 1HB SER 55 -8.129 2.839 -8.614 447 2HB SER 55 2HB SER 55 -9.756 3.003 -9.299 448 HG SER 55 HG SER 55 -8.944 1.702 -6.910 449 H PHE 56 H PHE 56 -6.393 1.479 -10.073 450 HA PHE 56 HA PHE 56 -6.542 2.435 -12.732 451 1HB PHE 56 1HB PHE 56 -4.644 2.803 -11.307 452 2HB PHE 56 2HB PHE 56 -4.320 1.084 -11.162 453 HD1 PHE 56 HD1 PHE 56 -3.619 4.069 -13.040 454 HD2 PHE 56 HD2 PHE 56 -3.665 -0.253 -13.265 455 HE1 PHE 56 HE1 PHE 56 -2.039 4.116 -14.928 456 HE2 PHE 56 HE2 PHE 56 -2.202 -0.150 -15.264 457 HZ PHE 56 HZ PHE 56 -1.402 2.052 -16.104 458 H VAL 57 H VAL 57 -5.968 -0.970 -11.502 459 HA VAL 57 HA VAL 57 -5.728 -2.161 -14.033 460 HB VAL 57 HB VAL 57 -6.838 -3.224 -11.412 461 1HG1 VAL 57 1HG1 VAL 57 -6.588 -5.515 -12.338 462 2HG1 VAL 57 2HG1 VAL 57 -7.885 -4.615 -13.123 463 3HG1 VAL 57 3HG1 VAL 57 -6.329 -4.819 -13.955 464 1HG2 VAL 57 1HG2 VAL 57 -4.285 -3.994 -12.855 465 2HG2 VAL 57 2HG2 VAL 57 -4.336 -2.661 -11.691 466 3HG2 VAL 57 3HG2 VAL 57 -4.732 -4.305 -11.168 467 H GLU 58 H GLU 58 -8.780 -1.409 -12.214 468 HA GLU 58 HA GLU 58 -10.498 -2.419 -14.227 469 1HB GLU 58 1HB GLU 58 -10.938 -0.186 -12.206 470 2HB GLU 58 2HB GLU 58 -12.209 -0.861 -13.216 471 1HG GLU 58 1HG GLU 58 -10.558 -2.477 -11.229 472 2HG GLU 58 2HG GLU 58 -12.129 -1.771 -10.887 473 H ALA 59 H ALA 59 -9.046 0.818 -13.871 474 HA ALA 59 HA ALA 59 -10.396 2.087 -16.052 475 1HB ALA 59 1HB ALA 59 -8.641 3.757 -15.891 476 2HB ALA 59 2HB ALA 59 -9.101 3.258 -14.248 477 3HB ALA 59 3HB ALA 59 -7.597 2.663 -14.970 478 H VAL 60 H VAL 60 -7.361 0.110 -16.024 479 HA VAL 60 HA VAL 60 -6.972 0.535 -18.879 480 HB VAL 60 HB VAL 60 -5.890 -1.877 -17.355 481 1HG1 VAL 60 1HG1 VAL 60 -5.618 -1.751 -19.853 482 2HG1 VAL 60 2HG1 VAL 60 -4.762 -0.214 -19.660 483 3HG1 VAL 60 3HG1 VAL 60 -4.077 -1.709 -18.989 484 1HG2 VAL 60 1HG2 VAL 60 -5.135 -0.052 -15.975 485 2HG2 VAL 60 2HG2 VAL 60 -3.801 -0.486 -17.010 486 3HG2 VAL 60 3HG2 VAL 60 -4.759 0.965 -17.381 487 H LYS 61 H LYS 61 -8.287 -2.196 -16.904 488 HA LYS 61 HA LYS 61 -8.781 -3.939 -19.028 489 1HB LYS 61 1HB LYS 61 -8.694 -4.498 -16.602 490 2HB LYS 61 2HB LYS 61 -10.261 -3.716 -16.365 491 1HG LYS 61 1HG LYS 61 -11.342 -5.370 -17.834 492 2HG LYS 61 2HG LYS 61 -9.770 -6.098 -18.210 493 1HD LYS 61 1HD LYS 61 -9.493 -6.699 -15.804 494 2HD LYS 61 2HD LYS 61 -11.075 -5.970 -15.451 495 1HE LYS 61 1HE LYS 61 -12.154 -7.570 -17.027 496 2HE LYS 61 2HE LYS 61 -10.581 -8.305 -17.359 497 1HZ LYS 61 1HZ LYS 61 -10.470 -8.959 -15.020 498 2HZ LYS 61 2HZ LYS 61 -11.925 -8.275 -14.716 499 3HZ LYS 61 3HZ LYS 61 -11.817 -9.559 -15.710 500 H ASN 62 H ASN 62 -10.962 -1.450 -17.648 501 HA ASN 62 HA ASN 62 -13.300 -2.201 -19.058 502 1HB ASN 62 1HB ASN 62 -13.265 -0.601 -17.159 503 2HB ASN 62 2HB ASN 62 -12.407 0.575 -18.160 504 1HD2 ASN 62 2HD2 ASN 62 -13.748 2.094 -19.143 505 2HD2 ASN 62 1HD2 ASN 62 -15.438 1.825 -19.523 506 H GLY 63 H GLY 63 -10.382 -0.552 -20.203 507 1HA GLY 63 1HA GLY 63 -9.828 0.358 -22.217 508 2HA GLY 63 2HA GLY 63 -11.107 -0.660 -22.919 509 H SER 64 H SER 64 -11.244 2.047 -20.553 510 HA SER 64 HA SER 64 -13.593 3.176 -21.448 511 1HB SER 64 1HB SER 64 -11.311 4.661 -20.089 512 2HB SER 64 2HB SER 64 -13.048 4.985 -19.977 513 HG SER 64 HG SER 64 -12.154 3.797 -18.195 514 HA PRO 65 HA PRO 65 -11.133 6.231 -24.320 515 1HB PRO 65 1HB PRO 65 -8.804 4.494 -25.108 516 2HB PRO 65 2HB PRO 65 -8.871 6.269 -24.890 517 1HG PRO 65 1HG PRO 65 -7.740 4.708 -23.014 518 2HG PRO 65 2HG PRO 65 -8.838 6.043 -22.521 519 1HD PRO 65 1HD PRO 65 -9.506 3.099 -22.842 520 2HD PRO 65 2HD PRO 65 -9.832 4.161 -21.450 521 H PHE 66 H PHE 66 -10.413 6.030 -26.796 522 HA PHE 66 HA PHE 66 -12.130 4.266 -28.309 523 1HB PHE 66 1HB PHE 66 -10.674 5.125 -30.215 524 2HB PHE 66 2HB PHE 66 -11.569 6.324 -29.307 525 HD1 PHE 66 HD1 PHE 66 -10.469 8.080 -28.073 526 HD2 PHE 66 HD2 PHE 66 -8.144 4.893 -29.839 527 HE1 PHE 66 HE1 PHE 66 -8.377 9.281 -27.505 528 HE2 PHE 66 HE2 PHE 66 -6.067 6.088 -29.249 529 HZ PHE 66 HZ PHE 66 -6.171 8.284 -28.071 530 H SER 67 H SER 67 -8.691 4.179 -27.282 531 HA SER 67 HA SER 67 -8.109 1.568 -28.399 532 1HB SER 67 1HB SER 67 -6.917 3.210 -26.124 533 2HB SER 67 2HB SER 67 -6.176 1.751 -26.769 534 HG SER 67 HG SER 67 -5.889 2.798 -28.737 535 H LYS 68 H LYS 68 -8.348 -0.454 -27.294 536 HA LYS 68 HA LYS 68 -9.408 -0.463 -24.612 537 1HB LYS 68 1HB LYS 68 -11.488 -1.449 -24.882 538 2HB LYS 68 2HB LYS 68 -11.491 -0.106 -26.002 539 1HG LYS 68 1HG LYS 68 -11.139 -3.058 -26.692 540 2HG LYS 68 2HG LYS 68 -12.625 -2.121 -26.823 541 1HD LYS 68 1HD LYS 68 -11.485 -0.627 -28.517 542 2HD LYS 68 2HD LYS 68 -10.082 -1.695 -28.403 543 1HE LYS 68 1HE LYS 68 -11.292 -2.351 -30.353 544 2HE LYS 68 2HE LYS 68 -11.465 -3.624 -29.144 545 1HZ LYS 68 1HZ LYS 68 -13.561 -3.115 -30.238 546 2HZ LYS 68 2HZ LYS 68 -13.688 -2.755 -28.656 547 3HZ LYS 68 3HZ LYS 68 -13.510 -1.560 -29.762 548 H VAL 69 H VAL 69 -9.395 -2.475 -23.615 549 HA VAL 69 HA VAL 69 -7.289 -4.259 -24.599 550 HB VAL 69 HB VAL 69 -8.924 -4.131 -22.015 551 1HG1 VAL 69 1HG1 VAL 69 -7.073 -5.445 -21.012 552 2HG1 VAL 69 2HG1 VAL 69 -7.972 -6.353 -22.219 553 3HG1 VAL 69 3HG1 VAL 69 -6.378 -5.664 -22.632 554 1HG2 VAL 69 1HG2 VAL 69 -7.521 -2.090 -22.279 555 2HG2 VAL 69 2HG2 VAL 69 -6.943 -3.129 -20.984 556 3HG2 VAL 69 3HG2 VAL 69 -6.093 -3.116 -22.540 557 H THR 70 H THR 70 -7.661 -6.493 -25.003 558 HA THR 70 HA THR 70 -10.433 -7.524 -24.700 559 HB THR 70 HB THR 70 -10.020 -8.923 -26.736 560 HG1 THR 70 HG1 THR 70 -7.833 -8.807 -27.003 561 1HG2 THR 70 1HG2 THR 70 -9.897 -5.924 -27.294 562 2HG2 THR 70 2HG2 THR 70 -10.519 -7.194 -28.368 563 3HG2 THR 70 3HG2 THR 70 -11.367 -6.825 -26.857 564 H ASP 71 H ASP 71 -7.079 -7.823 -23.883 565 HA ASP 71 HA ASP 71 -7.736 -10.179 -22.268 566 1HB ASP 71 1HB ASP 71 -6.851 -11.241 -24.303 567 2HB ASP 71 2HB ASP 71 -5.456 -10.158 -24.293 568 H ILE 72 H ILE 72 -6.513 -10.153 -20.345 569 HA ILE 72 HA ILE 72 -4.378 -8.161 -20.026 570 HB ILE 72 HB ILE 72 -6.390 -6.922 -19.493 571 1HG1 ILE 72 1HG1 ILE 72 -5.106 -7.620 -16.833 572 2HG1 ILE 72 2HG1 ILE 72 -4.261 -6.711 -18.074 573 1HG2 ILE 72 1HG2 ILE 72 -7.940 -7.519 -17.685 574 2HG2 ILE 72 2HG2 ILE 72 -7.968 -8.728 -18.963 575 3HG2 ILE 72 3HG2 ILE 72 -7.100 -9.058 -17.447 576 1HD1 ILE 72 1HD1 ILE 72 -6.086 -4.961 -17.993 577 2HD1 ILE 72 2HD1 ILE 72 -6.791 -5.853 -16.622 578 3HD1 ILE 72 3HD1 ILE 72 -5.177 -5.147 -16.490 579 H SER 73 H SER 73 -2.963 -8.664 -18.354 580 HA SER 73 HA SER 73 -3.564 -10.914 -16.540 581 1HB SER 73 1HB SER 73 -0.937 -10.609 -18.070 582 2HB SER 73 2HB SER 73 -1.314 -11.850 -16.867 583 HG SER 73 HG SER 73 -2.930 -12.630 -18.307 584 H VAL 74 H VAL 74 -2.613 -10.555 -14.495 585 HA VAL 74 HA VAL 74 -1.069 -8.063 -14.100 586 HB VAL 74 HB VAL 74 -3.530 -8.841 -12.476 587 1HG1 VAL 74 1HG1 VAL 74 -1.731 -6.377 -12.389 588 2HG1 VAL 74 2HG1 VAL 74 -3.283 -6.518 -11.540 589 3HG1 VAL 74 3HG1 VAL 74 -1.951 -7.593 -11.120 590 1HG2 VAL 74 1HG2 VAL 74 -3.278 -6.724 -14.647 591 2HG2 VAL 74 2HG2 VAL 74 -4.384 -8.112 -14.594 592 3HG2 VAL 74 3HG2 VAL 74 -4.596 -6.783 -13.457 593 H THR 75 H THR 75 0.364 -8.217 -12.419 594 HA THR 75 HA THR 75 0.351 -10.573 -10.626 595 HB THR 75 HB THR 75 2.846 -9.368 -11.917 596 HG1 THR 75 HG1 THR 75 1.645 -10.506 -13.452 597 1HG2 THR 75 1HG2 THR 75 2.448 -11.890 -10.240 598 2HG2 THR 75 2HG2 THR 75 3.958 -11.428 -11.059 599 3HG2 THR 75 3HG2 THR 75 3.324 -10.420 -9.756 600 H GLU 76 H GLU 76 1.191 -9.905 -8.476 601 HA GLU 76 HA GLU 76 1.570 -7.007 -8.123 602 1HB GLU 76 1HB GLU 76 0.012 -7.163 -6.120 603 2HB GLU 76 2HB GLU 76 -0.693 -7.107 -7.727 604 1HG GLU 76 1HG GLU 76 -1.920 -8.634 -6.300 605 2HG GLU 76 2HG GLU 76 -1.245 -9.455 -7.694 606 H SER 77 H SER 77 2.560 -6.418 -6.160 607 HA SER 77 HA SER 77 4.075 -8.463 -4.671 608 1HB SER 77 1HB SER 77 5.413 -6.274 -6.334 609 2HB SER 77 2HB SER 77 6.224 -7.498 -5.349 610 HG SER 77 HG SER 77 6.239 -8.004 -7.577 611 H ARG 78 H ARG 78 5.566 -7.224 -3.074 612 HA ARG 78 HA ARG 78 4.272 -4.709 -2.076 613 1HB ARG 78 1HB ARG 78 5.547 -7.107 -0.767 614 2HB ARG 78 2HB ARG 78 5.808 -5.553 -0.007 615 1HG ARG 78 1HG ARG 78 3.881 -6.833 0.923 616 2HG ARG 78 2HG ARG 78 3.535 -5.185 0.427 617 1HD ARG 78 1HD ARG 78 1.686 -6.604 -0.152 618 2HD ARG 78 2HD ARG 78 2.444 -5.955 -1.605 619 HE ARG 78 HE ARG 78 3.375 -8.623 -0.821 620 1HH1 ARG 78 1HH2 ARG 78 0.971 -6.808 -2.748 621 2HH1 ARG 78 2HH2 ARG 78 0.510 -8.238 -3.664 622 1HH2 ARG 78 1HH1 ARG 78 2.716 -10.446 -2.229 623 2HH2 ARG 78 2HH1 ARG 78 1.478 -10.130 -3.430 624 H SER 79 H SER 79 6.784 -5.641 -3.991 625 HA SER 79 HA SER 79 9.010 -4.305 -2.922 626 1HB SER 79 1HB SER 79 8.487 -5.066 -5.818 627 2HB SER 79 2HB SER 79 10.046 -4.946 -4.981 628 HG SER 79 HG SER 79 9.360 -7.109 -5.143 629 H LEU 80 H LEU 80 7.894 -2.197 -2.385 630 HA LEU 80 HA LEU 80 7.379 -0.225 -4.389 631 1HB LEU 80 1HB LEU 80 8.030 -0.236 -1.469 632 2HB LEU 80 2HB LEU 80 8.544 1.204 -2.338 633 HG LEU 80 HG LEU 80 6.296 1.564 -3.220 634 1HD1 LEU 80 1HD1 LEU 80 4.369 0.305 -2.424 635 2HD1 LEU 80 2HD1 LEU 80 5.458 -0.779 -3.259 636 3HD1 LEU 80 3HD1 LEU 80 5.425 -0.790 -1.485 637 1HD2 LEU 80 1HD2 LEU 80 6.333 1.215 -0.192 638 2HD2 LEU 80 2HD2 LEU 80 6.966 2.611 -1.090 639 3HD2 LEU 80 3HD2 LEU 80 5.234 2.265 -1.119 640 H GLU 81 H GLU 81 8.694 1.477 -5.163 641 HA GLU 81 HA GLU 81 11.424 0.508 -5.838 642 1HB GLU 81 1HB GLU 81 9.572 2.384 -7.346 643 2HB GLU 81 2HB GLU 81 11.022 1.594 -7.956 644 1HG GLU 81 1HG GLU 81 9.892 -0.580 -7.915 645 2HG GLU 81 2HG GLU 81 8.465 0.121 -7.131 646 H GLY 82 H GLY 82 9.521 3.224 -4.659 647 1HA GLY 82 1HA GLY 82 10.218 5.261 -3.726 648 2HA GLY 82 2HA GLY 82 11.877 4.997 -4.297 649 H HIS 83 H HIS 83 9.034 4.405 -6.383 650 HA HIS 83 HA HIS 83 10.069 6.312 -8.352 651 1HB HIS 83 1HB HIS 83 8.572 3.983 -8.546 652 2HB HIS 83 2HB HIS 83 7.338 5.195 -8.749 653 HD1 HIS 83 HD1 HIS 83 7.389 6.451 -11.205 654 HD2 HIS 83 HD2 HIS 83 10.602 3.863 -10.330 655 HE1 HIS 83 HE1 HIS 83 8.650 6.134 -13.361 656 H HIS 84 H HIS 84 9.223 8.352 -8.761 657 HA HIS 84 HA HIS 84 6.981 9.356 -7.060 658 1HB HIS 84 1HB HIS 84 9.786 10.482 -7.405 659 2HB HIS 84 2HB HIS 84 8.442 11.473 -6.864 660 HD1 HIS 84 HD1 HIS 84 10.516 8.474 -5.551 661 HD2 HIS 84 HD2 HIS 84 7.592 11.284 -4.397 662 HE1 HIS 84 HE1 HIS 84 10.332 8.320 -3.024 663 H ARG 85 H ARG 85 7.413 8.612 -10.061 664 HA ARG 85 HA ARG 85 5.907 10.859 -11.144 665 1HB ARG 85 1HB ARG 85 7.389 11.128 -13.100 666 2HB ARG 85 2HB ARG 85 8.176 11.639 -11.617 667 1HG ARG 85 1HG ARG 85 9.570 9.677 -11.531 668 2HG ARG 85 2HG ARG 85 8.655 8.865 -12.807 669 1HD ARG 85 1HD ARG 85 10.246 11.427 -13.200 670 2HD ARG 85 2HD ARG 85 10.838 9.799 -13.584 671 HE ARG 85 HE ARG 85 8.679 9.659 -15.015 672 1HH1 ARG 85 1HH2 ARG 85 10.909 12.420 -14.915 673 2HH1 ARG 85 2HH2 ARG 85 10.260 13.162 -16.330 674 1HH2 ARG 85 1HH1 ARG 85 7.673 10.731 -16.663 675 2HH2 ARG 85 2HH1 ARG 85 8.406 12.106 -17.444 676 H PHE 86 H PHE 86 5.281 10.230 -13.510 677 HA PHE 86 HA PHE 86 5.170 7.278 -13.821 678 1HB PHE 86 1HB PHE 86 3.467 7.590 -15.488 679 2HB PHE 86 2HB PHE 86 2.952 8.207 -13.937 680 HD1 PHE 86 HD1 PHE 86 2.063 10.381 -13.775 681 HD2 PHE 86 HD2 PHE 86 4.286 9.276 -17.300 682 HE1 PHE 86 HE1 PHE 86 1.424 12.529 -14.865 683 HE2 PHE 86 HE2 PHE 86 3.626 11.400 -18.388 684 HZ PHE 86 HZ PHE 86 2.199 13.035 -17.171 685 H SER 87 H SER 87 6.001 6.453 -15.802 686 HA SER 87 HA SER 87 7.578 8.326 -17.503 687 1HB SER 87 1HB SER 87 8.541 5.725 -16.247 688 2HB SER 87 2HB SER 87 9.465 6.765 -17.350 689 HG SER 87 HG SER 87 10.016 7.237 -15.225 690 H ILE 88 H ILE 88 8.136 7.470 -19.595 691 HA ILE 88 HA ILE 88 6.278 5.370 -20.588 692 HB ILE 88 HB ILE 88 6.642 8.135 -21.836 693 1HG1 ILE 88 1HG1 ILE 88 4.340 7.075 -20.151 694 2HG1 ILE 88 2HG1 ILE 88 5.387 8.440 -19.762 695 1HG2 ILE 88 1HG2 ILE 88 4.877 7.429 -23.355 696 2HG2 ILE 88 2HG2 ILE 88 6.117 6.182 -23.358 697 3HG2 ILE 88 3HG2 ILE 88 4.623 5.935 -22.423 698 1HD1 ILE 88 1HD1 ILE 88 3.292 9.313 -20.475 699 2HD1 ILE 88 2HD1 ILE 88 4.473 9.658 -21.756 700 3HD1 ILE 88 3HD1 ILE 88 3.287 8.339 -21.950 701 H VAL 89 H VAL 89 7.609 3.879 -21.434 702 HA VAL 89 HA VAL 89 10.300 4.495 -22.341 703 HB VAL 89 HB VAL 89 8.592 2.000 -22.760 704 1HG1 VAL 89 1HG1 VAL 89 11.618 2.401 -22.893 705 2HG1 VAL 89 2HG1 VAL 89 10.770 0.847 -23.037 706 3HG1 VAL 89 3HG1 VAL 89 10.546 2.083 -24.274 707 1HG2 VAL 89 1HG2 VAL 89 8.855 2.416 -20.330 708 2HG2 VAL 89 2HG2 VAL 89 9.837 1.043 -20.831 709 3HG2 VAL 89 3HG2 VAL 89 10.604 2.620 -20.546 710 H TYR 90 H TYR 90 10.929 4.845 -24.471 711 HA TYR 90 HA TYR 90 8.876 5.831 -26.272 712 1HB TYR 90 1HB TYR 90 11.094 6.943 -25.713 713 2HB TYR 90 2HB TYR 90 11.887 5.712 -26.683 714 HD1 TYR 90 HD1 TYR 90 12.284 6.248 -28.970 715 HD2 TYR 90 HD2 TYR 90 9.084 8.242 -26.867 716 HE1 TYR 90 HE1 TYR 90 11.879 7.679 -30.950 717 HE2 TYR 90 HE2 TYR 90 8.666 9.670 -28.842 718 HH TYR 90 HH TYR 90 9.302 10.190 -31.023 719 H SER 91 H SER 91 8.638 3.029 -25.843 720 HA SER 91 HA SER 91 9.772 1.306 -27.721 721 1HB SER 91 1HB SER 91 6.900 1.269 -26.763 722 2HB SER 91 2HB SER 91 7.911 -0.109 -27.214 723 HG SER 91 HG SER 91 9.125 0.246 -25.328 Start of MODEL 2 1 1H MET 1 1H MET 1 4.333 -0.780 1.580 2 2H MET 1 2H MET 1 3.129 0.021 2.365 3 3H MET 1 3H MET 1 2.958 -1.564 1.972 4 HA MET 1 HA MET 1 1.666 -0.197 0.507 5 1HB MET 1 1HB MET 1 3.661 1.639 0.697 6 2HB MET 1 2HB MET 1 4.114 0.878 -0.832 7 1HG MET 1 1HG MET 1 1.704 1.236 -1.577 8 2HG MET 1 2HG MET 1 1.417 2.096 -0.074 9 1HE MET 1 1HE MET 1 3.399 1.862 -3.310 10 2HE MET 1 2HE MET 1 3.975 3.515 -3.637 11 3HE MET 1 3HE MET 1 4.776 2.516 -2.402 12 H LEU 2 H LEU 2 2.089 -0.452 -2.239 13 HA LEU 2 HA LEU 2 3.061 -3.221 -2.584 14 1HB LEU 2 1HB LEU 2 0.468 -2.706 -1.856 15 2HB LEU 2 2HB LEU 2 0.366 -2.385 -3.570 16 HG LEU 2 HG LEU 2 1.514 -4.729 -3.842 17 1HD1 LEU 2 1HD1 LEU 2 1.043 -6.302 -2.004 18 2HD1 LEU 2 2HD1 LEU 2 2.119 -5.000 -1.455 19 3HD1 LEU 2 3HD1 LEU 2 0.401 -4.978 -1.015 20 1HD2 LEU 2 1HD2 LEU 2 -0.810 -4.281 -4.508 21 2HD2 LEU 2 2HD2 LEU 2 -0.683 -5.868 -3.738 22 3HD2 LEU 2 3HD2 LEU 2 -1.347 -4.496 -2.827 23 H GLN 3 H GLN 3 2.464 -3.795 -5.010 24 HA GLN 3 HA GLN 3 2.921 -1.628 -6.925 25 1HB GLN 3 1HB GLN 3 5.153 -2.081 -6.086 26 2HB GLN 3 2HB GLN 3 4.865 -3.813 -6.103 27 1HG GLN 3 1HG GLN 3 4.969 -3.834 -8.577 28 2HG GLN 3 2HG GLN 3 5.253 -2.084 -8.561 29 1HE2 GLN 3 1HE2 GLN 3 7.418 -1.903 -9.185 30 2HE2 GLN 3 2HE2 GLN 3 8.723 -2.612 -8.255 31 H TYR 4 H TYR 4 2.684 -2.439 -9.151 32 HA TYR 4 HA TYR 4 1.641 -5.201 -9.366 33 1HB TYR 4 1HB TYR 4 0.042 -4.612 -11.050 34 2HB TYR 4 2HB TYR 4 -0.299 -3.779 -9.559 35 HD1 TYR 4 HD1 TYR 4 -1.466 -1.844 -10.085 36 HD2 TYR 4 HD2 TYR 4 1.831 -2.895 -12.654 37 HE1 TYR 4 HE1 TYR 4 -1.654 0.327 -11.223 38 HE2 TYR 4 HE2 TYR 4 1.664 -0.726 -13.758 39 HH TYR 4 HH TYR 4 -0.773 1.718 -12.915 40 H ARG 5 H ARG 5 1.868 -6.101 -11.494 41 HA ARG 5 HA ARG 5 3.329 -4.519 -13.483 42 1HB ARG 5 1HB ARG 5 5.015 -6.149 -12.630 43 2HB ARG 5 2HB ARG 5 3.903 -7.476 -12.994 44 1HG ARG 5 1HG ARG 5 3.995 -6.883 -15.414 45 2HG ARG 5 2HG ARG 5 5.094 -5.536 -15.042 46 1HD ARG 5 1HD ARG 5 6.774 -7.113 -14.174 47 2HD ARG 5 2HD ARG 5 5.644 -8.458 -14.395 48 HE ARG 5 HE ARG 5 6.498 -6.851 -16.768 49 1HH1 ARG 5 1HH2 ARG 5 6.911 -9.887 -14.961 50 2HH1 ARG 5 2HH2 ARG 5 7.502 -10.761 -16.324 51 1HH2 ARG 5 1HH1 ARG 5 7.074 -8.027 -18.573 52 2HH2 ARG 5 2HH1 ARG 5 7.690 -9.654 -18.424 53 H ILE 6 H ILE 6 2.118 -4.639 -15.395 54 HA ILE 6 HA ILE 6 -0.232 -6.474 -15.482 55 HB ILE 6 HB ILE 6 -0.145 -3.451 -15.872 56 1HG1 ILE 6 1HG1 ILE 6 -1.876 -5.093 -13.987 57 2HG1 ILE 6 2HG1 ILE 6 -0.379 -4.308 -13.502 58 1HG2 ILE 6 1HG2 ILE 6 -2.567 -3.581 -16.483 59 2HG2 ILE 6 2HG2 ILE 6 -1.542 -4.373 -17.650 60 3HG2 ILE 6 3HG2 ILE 6 -2.452 -5.354 -16.477 61 1HD1 ILE 6 1HD1 ILE 6 -1.340 -2.106 -14.167 62 2HD1 ILE 6 2HD1 ILE 6 -2.909 -2.911 -14.430 63 3HD1 ILE 6 3HD1 ILE 6 -2.174 -2.910 -12.826 64 H ILE 7 H ILE 7 -0.753 -7.075 -17.594 65 HA ILE 7 HA ILE 7 0.747 -5.847 -19.808 66 HB ILE 7 HB ILE 7 0.222 -8.520 -20.572 67 1HG1 ILE 7 1HG1 ILE 7 0.333 -9.141 -18.097 68 2HG1 ILE 7 2HG1 ILE 7 1.328 -10.029 -19.230 69 1HG2 ILE 7 1HG2 ILE 7 1.907 -7.106 -21.538 70 2HG2 ILE 7 2HG2 ILE 7 2.870 -7.161 -20.061 71 3HG2 ILE 7 3HG2 ILE 7 2.606 -8.640 -21.014 72 1HD1 ILE 7 1HD1 ILE 7 2.421 -7.805 -17.454 73 2HD1 ILE 7 2HD1 ILE 7 2.487 -9.537 -17.093 74 3HD1 ILE 7 3HD1 ILE 7 3.348 -8.899 -18.499 75 H VAL 8 H VAL 8 -0.607 -5.475 -21.596 76 HA VAL 8 HA VAL 8 -3.326 -6.601 -21.563 77 HB VAL 8 HB VAL 8 -4.227 -4.281 -22.101 78 1HG1 VAL 8 1HG1 VAL 8 -3.249 -4.689 -19.256 79 2HG1 VAL 8 2HG1 VAL 8 -4.642 -3.724 -19.794 80 3HG1 VAL 8 3HG1 VAL 8 -4.653 -5.472 -20.010 81 1HG2 VAL 8 1HG2 VAL 8 -3.108 -2.321 -21.150 82 2HG2 VAL 8 2HG2 VAL 8 -1.679 -3.291 -20.742 83 3HG2 VAL 8 3HG2 VAL 8 -2.148 -3.042 -22.440 84 H ASP 9 H ASP 9 -4.286 -6.710 -23.599 85 HA ASP 9 HA ASP 9 -2.837 -5.547 -25.903 86 1HB ASP 9 1HB ASP 9 -2.245 -8.038 -25.732 87 2HB ASP 9 2HB ASP 9 -3.956 -8.368 -25.931 88 H GLY 10 H GLY 10 -4.272 -5.275 -27.747 89 1HA GLY 10 1HA GLY 10 -6.860 -5.569 -28.267 90 2HA GLY 10 2HA GLY 10 -6.952 -4.460 -26.886 91 H ARG 11 H ARG 11 -7.641 -2.682 -28.214 92 HA ARG 11 HA ARG 11 -5.535 -1.542 -29.978 93 1HB ARG 11 1HB ARG 11 -7.900 -1.172 -30.783 94 2HB ARG 11 2HB ARG 11 -8.214 -0.262 -29.295 95 1HG ARG 11 1HG ARG 11 -7.686 1.394 -30.885 96 2HG ARG 11 2HG ARG 11 -6.228 1.216 -29.908 97 1HD ARG 11 1HD ARG 11 -5.442 -0.437 -31.789 98 2HD ARG 11 2HD ARG 11 -6.719 0.296 -32.756 99 HE ARG 11 HE ARG 11 -4.262 1.562 -31.647 100 1HH1 ARG 11 1HH2 ARG 11 -7.187 2.085 -33.612 101 2HH1 ARG 11 2HH2 ARG 11 -6.650 3.610 -34.211 102 1HH2 ARG 11 1HH1 ARG 11 -3.591 3.476 -32.374 103 2HH2 ARG 11 2HH1 ARG 11 -4.497 4.433 -33.516 104 H VAL 12 H VAL 12 -3.987 -1.434 -28.446 105 HA VAL 12 HA VAL 12 -4.395 0.428 -26.160 106 HB VAL 12 HB VAL 12 -2.780 -0.980 -24.911 107 1HG1 VAL 12 1HG1 VAL 12 -4.301 -2.782 -24.339 108 2HG1 VAL 12 2HG1 VAL 12 -5.212 -1.286 -24.608 109 3HG1 VAL 12 3HG1 VAL 12 -5.212 -2.560 -25.842 110 1HG2 VAL 12 1HG2 VAL 12 -2.168 -3.214 -25.599 111 2HG2 VAL 12 2HG2 VAL 12 -3.097 -3.085 -27.103 112 3HG2 VAL 12 3HG2 VAL 12 -1.642 -2.104 -26.863 113 H GLN 13 H GLN 13 -3.177 0.631 -29.113 114 HA GLN 13 HA GLN 13 -0.837 2.205 -28.257 115 1HB GLN 13 1HB GLN 13 -0.735 -0.057 -30.287 116 2HB GLN 13 2HB GLN 13 0.450 1.247 -30.254 117 1HG GLN 13 1HG GLN 13 -0.054 -0.635 -27.917 118 2HG GLN 13 2HG GLN 13 1.200 -0.838 -29.124 119 1HE2 GLN 13 2HE2 GLN 13 0.166 1.161 -26.352 120 2HE2 GLN 13 1HE2 GLN 13 1.747 1.877 -26.093 121 H GLY 14 H GLY 14 -0.257 3.843 -29.638 122 1HA GLY 14 1HA GLY 14 -1.005 4.667 -32.091 123 2HA GLY 14 2HA GLY 14 -2.443 5.031 -31.116 124 H VAL 15 H VAL 15 -1.638 7.316 -31.770 125 HA VAL 15 HA VAL 15 0.803 8.345 -30.971 126 HB VAL 15 HB VAL 15 -0.227 10.576 -31.293 127 1HG1 VAL 15 1HG1 VAL 15 -1.030 8.549 -33.427 128 2HG1 VAL 15 2HG1 VAL 15 -0.754 10.287 -33.650 129 3HG1 VAL 15 3HG1 VAL 15 0.595 9.233 -33.204 130 1HG2 VAL 15 1HG2 VAL 15 -2.558 10.798 -32.010 131 2HG2 VAL 15 2HG2 VAL 15 -2.861 9.078 -31.712 132 3HG2 VAL 15 3HG2 VAL 15 -2.491 10.174 -30.361 133 H GLY 16 H GLY 16 -2.000 7.934 -28.851 134 1HA GLY 16 1HA GLY 16 -0.333 8.900 -26.582 135 2HA GLY 16 2HA GLY 16 -1.923 9.623 -26.861 136 H PHE 17 H PHE 17 -1.601 6.174 -27.582 137 HA PHE 17 HA PHE 17 -3.672 5.641 -25.601 138 1HB PHE 17 1HB PHE 17 -2.089 3.849 -27.449 139 2HB PHE 17 2HB PHE 17 -3.237 3.234 -26.271 140 HD1 PHE 17 HD1 PHE 17 -3.187 5.881 -28.997 141 HD2 PHE 17 HD2 PHE 17 -5.387 2.730 -27.036 142 HE1 PHE 17 HE1 PHE 17 -5.036 6.180 -30.602 143 HE2 PHE 17 HE2 PHE 17 -7.235 3.045 -28.664 144 HZ PHE 17 HZ PHE 17 -7.067 4.757 -30.443 145 H ARG 18 H ARG 18 -0.108 4.867 -25.768 146 HA ARG 18 HA ARG 18 -0.268 3.754 -23.092 147 1HB ARG 18 1HB ARG 18 2.114 3.703 -23.036 148 2HB ARG 18 2HB ARG 18 1.465 2.991 -24.498 149 1HG ARG 18 1HG ARG 18 2.154 5.039 -25.780 150 2HG ARG 18 2HG ARG 18 2.858 5.702 -24.279 151 1HD ARG 18 1HD ARG 18 4.276 3.671 -24.063 152 2HD ARG 18 2HD ARG 18 3.575 3.018 -25.553 153 HE ARG 18 HE ARG 18 4.706 5.537 -26.161 154 1HH1 ARG 18 1HH2 ARG 18 5.669 2.284 -25.176 155 2HH1 ARG 18 2HH2 ARG 18 7.257 2.339 -25.853 156 1HH2 ARG 18 1HH1 ARG 18 6.829 5.635 -27.162 157 2HH2 ARG 18 2HH1 ARG 18 7.919 4.294 -27.011 158 H TYR 19 H TYR 19 -0.107 7.068 -24.248 159 HA TYR 19 HA TYR 19 0.661 8.147 -21.675 160 1HB TYR 19 1HB TYR 19 0.764 9.428 -23.824 161 2HB TYR 19 2HB TYR 19 -0.993 9.482 -23.844 162 HD1 TYR 19 HD1 TYR 19 -2.236 11.006 -22.432 163 HD2 TYR 19 HD2 TYR 19 2.043 10.613 -22.017 164 HE1 TYR 19 HE1 TYR 19 -2.186 13.052 -21.043 165 HE2 TYR 19 HE2 TYR 19 2.097 12.635 -20.589 166 HH TYR 19 HH TYR 19 -0.865 14.518 -19.800 167 H PHE 20 H PHE 20 -2.488 7.120 -23.153 168 HA PHE 20 HA PHE 20 -4.145 8.226 -21.252 169 1HB PHE 20 1HB PHE 20 -5.773 7.208 -22.333 170 2HB PHE 20 2HB PHE 20 -4.575 6.495 -23.371 171 HD1 PHE 20 HD1 PHE 20 -4.775 4.156 -23.714 172 HD2 PHE 20 HD2 PHE 20 -6.265 5.810 -20.024 173 HE1 PHE 20 HE1 PHE 20 -5.478 1.908 -22.981 174 HE2 PHE 20 HE2 PHE 20 -7.049 3.557 -19.338 175 HZ PHE 20 HZ PHE 20 -6.643 1.601 -20.815 176 H VAL 21 H VAL 21 -2.552 4.956 -20.929 177 HA VAL 21 HA VAL 21 -3.725 4.554 -18.399 178 HB VAL 21 HB VAL 21 -1.974 2.915 -18.012 179 1HG1 VAL 21 1HG1 VAL 21 -3.243 2.697 -20.764 180 2HG1 VAL 21 2HG1 VAL 21 -2.683 1.349 -19.755 181 3HG1 VAL 21 3HG1 VAL 21 -4.045 2.344 -19.219 182 1HG2 VAL 21 1HG2 VAL 21 -0.872 3.518 -20.766 183 2HG2 VAL 21 2HG2 VAL 21 -0.056 3.928 -19.236 184 3HG2 VAL 21 3HG2 VAL 21 -0.360 2.240 -19.646 185 H GLN 22 H GLN 22 -0.828 6.467 -19.287 186 HA GLN 22 HA GLN 22 -0.059 6.700 -16.494 187 1HB GLN 22 1HB GLN 22 0.843 8.343 -18.874 188 2HB GLN 22 2HB GLN 22 1.571 8.291 -17.279 189 1HG GLN 22 1HG GLN 22 1.507 6.065 -19.338 190 2HG GLN 22 2HG GLN 22 2.898 6.957 -18.765 191 1HE2 GLN 22 2HE2 GLN 22 4.224 5.565 -17.582 192 2HE2 GLN 22 1HE2 GLN 22 3.595 4.407 -16.415 193 H MET 23 H MET 23 -2.287 8.442 -18.572 194 HA MET 23 HA MET 23 -2.708 10.665 -16.732 195 1HB MET 23 1HB MET 23 -4.827 9.339 -18.479 196 2HB MET 23 2HB MET 23 -4.922 10.897 -17.682 197 1HG MET 23 1HG MET 23 -2.964 11.643 -19.099 198 2HG MET 23 2HG MET 23 -3.170 10.161 -20.037 199 1HE MET 23 1HE MET 23 -5.442 9.780 -21.765 200 2HE MET 23 2HE MET 23 -6.213 9.650 -20.161 201 3HE MET 23 3HE MET 23 -6.906 10.703 -21.412 202 H GLU 24 H GLU 24 -4.204 7.402 -17.121 203 HA GLU 24 HA GLU 24 -5.919 7.680 -14.865 204 1HB GLU 24 1HB GLU 24 -4.883 5.172 -16.245 205 2HB GLU 24 2HB GLU 24 -6.221 5.224 -15.098 206 1HG GLU 24 1HG GLU 24 -6.179 6.684 -17.794 207 2HG GLU 24 2HG GLU 24 -6.974 5.151 -17.467 208 H ALA 25 H ALA 25 -2.563 6.613 -15.134 209 HA ALA 25 HA ALA 25 -2.212 5.632 -12.485 210 1HB ALA 25 1HB ALA 25 0.179 5.982 -12.922 211 2HB ALA 25 2HB ALA 25 -0.586 5.316 -14.376 212 3HB ALA 25 3HB ALA 25 -0.179 7.044 -14.281 213 H ASP 26 H ASP 26 -1.656 8.920 -13.900 214 HA ASP 26 HA ASP 26 -0.939 10.192 -11.458 215 1HB ASP 26 1HB ASP 26 -0.547 11.221 -13.626 216 2HB ASP 26 2HB ASP 26 -2.274 11.307 -13.955 217 H LYS 27 H LYS 27 -4.132 9.728 -13.004 218 HA LYS 27 HA LYS 27 -5.704 11.064 -11.082 219 1HB LYS 27 1HB LYS 27 -6.499 10.519 -13.257 220 2HB LYS 27 2HB LYS 27 -6.249 8.804 -13.024 221 1HG LYS 27 1HG LYS 27 -8.197 10.228 -11.215 222 2HG LYS 27 2HG LYS 27 -8.658 9.954 -12.885 223 1HD LYS 27 1HD LYS 27 -7.702 7.722 -11.063 224 2HD LYS 27 2HD LYS 27 -9.399 8.152 -11.243 225 1HE LYS 27 1HE LYS 27 -7.538 7.215 -13.475 226 2HE LYS 27 2HE LYS 27 -8.647 6.177 -12.592 227 1HZ LYS 27 1HZ LYS 27 -10.506 7.436 -13.466 228 2HZ LYS 27 2HZ LYS 27 -9.503 8.492 -14.234 229 3HZ LYS 27 3HZ LYS 27 -9.550 6.944 -14.716 230 H ARG 28 H ARG 28 -3.981 8.043 -10.693 231 HA ARG 28 HA ARG 28 -5.347 7.656 -8.048 232 1HB ARG 28 1HB ARG 28 -4.031 5.630 -9.906 233 2HB ARG 28 2HB ARG 28 -4.497 5.272 -8.253 234 1HG ARG 28 1HG ARG 28 -6.390 5.902 -10.532 235 2HG ARG 28 2HG ARG 28 -6.050 4.338 -9.811 236 1HD ARG 28 1HD ARG 28 -8.136 4.982 -8.953 237 2HD ARG 28 2HD ARG 28 -6.978 5.157 -7.622 238 HE ARG 28 HE ARG 28 -7.115 7.660 -8.846 239 1HH1 ARG 28 1HH1 ARG 28 -9.477 5.586 -7.179 240 2HH1 ARG 28 2HH1 ARG 28 -10.451 6.914 -6.671 241 1HH2 ARG 28 1HH2 ARG 28 -8.332 9.355 -8.197 242 2HH2 ARG 28 2HH2 ARG 28 -9.782 9.143 -7.267 243 H LYS 29 H LYS 29 -2.930 9.345 -9.069 244 HA LYS 29 HA LYS 29 -0.855 9.892 -8.456 245 1HB LYS 29 1HB LYS 29 -1.934 9.175 -5.701 246 2HB LYS 29 2HB LYS 29 -0.513 10.176 -6.025 247 1HG LYS 29 1HG LYS 29 -1.928 11.804 -7.264 248 2HG LYS 29 2HG LYS 29 -3.365 10.841 -6.864 249 1HD LYS 29 1HD LYS 29 -2.940 11.193 -4.443 250 2HD LYS 29 2HD LYS 29 -1.467 12.087 -4.829 251 1HE LYS 29 1HE LYS 29 -3.158 13.695 -4.321 252 2HE LYS 29 2HE LYS 29 -2.811 13.793 -6.048 253 1HZ LYS 29 1HZ LYS 29 -5.184 13.859 -5.581 254 2HZ LYS 29 2HZ LYS 29 -4.847 12.529 -6.456 255 3HZ LYS 29 3HZ LYS 29 -5.146 12.407 -4.849 256 H LEU 30 H LEU 30 -0.959 7.261 -9.452 257 HA LEU 30 HA LEU 30 0.853 5.570 -7.863 258 1HB LEU 30 1HB LEU 30 -0.142 5.422 -10.743 259 2HB LEU 30 2HB LEU 30 0.875 4.207 -9.967 260 HG LEU 30 HG LEU 30 -1.986 4.935 -9.244 261 1HD1 LEU 30 1HD1 LEU 30 -2.446 2.621 -9.975 262 2HD1 LEU 30 2HD1 LEU 30 -1.721 3.580 -11.278 263 3HD1 LEU 30 3HD1 LEU 30 -0.728 2.411 -10.388 264 1HD2 LEU 30 1HD2 LEU 30 -0.907 4.353 -7.152 265 2HD2 LEU 30 2HD2 LEU 30 -1.890 2.983 -7.674 266 3HD2 LEU 30 3HD2 LEU 30 -0.130 2.938 -7.908 267 H ALA 31 H ALA 31 2.989 4.956 -8.760 268 HA ALA 31 HA ALA 31 4.250 6.913 -10.597 269 1HB ALA 31 1HB ALA 31 6.292 6.880 -9.192 270 2HB ALA 31 2HB ALA 31 4.928 7.628 -8.333 271 3HB ALA 31 3HB ALA 31 5.429 5.963 -7.945 272 H GLY 32 H GLY 32 5.604 5.825 -12.097 273 1HA GLY 32 1HA GLY 32 6.439 3.130 -12.035 274 2HA GLY 32 2HA GLY 32 4.728 3.151 -12.467 275 H TRP 33 H TRP 33 5.894 2.118 -14.444 276 HA TRP 33 HA TRP 33 6.120 4.282 -16.423 277 1HB TRP 33 1HB TRP 33 7.982 3.215 -17.554 278 2HB TRP 33 2HB TRP 33 8.399 3.701 -15.927 279 HD1 TRP 33 HD1 TRP 33 7.553 0.491 -17.901 280 HE1 TRP 33 HE1 TRP 33 8.811 -1.476 -16.886 281 HE3 TRP 33 HE3 TRP 33 9.526 2.840 -13.797 282 HZ2 TRP 33 HZ2 TRP 33 10.579 -1.956 -14.630 283 HZ3 TRP 33 HZ3 TRP 33 11.006 1.603 -12.244 284 HH2 TRP 33 HH2 TRP 33 11.546 -0.790 -12.651 285 H VAL 34 H VAL 34 5.747 3.616 -18.635 286 HA VAL 34 HA VAL 34 4.330 0.991 -18.970 287 HB VAL 34 HB VAL 34 2.710 2.817 -18.936 288 1HG1 VAL 34 1HG1 VAL 34 2.626 4.488 -20.720 289 2HG1 VAL 34 2HG1 VAL 34 4.128 4.648 -19.804 290 3HG1 VAL 34 3HG1 VAL 34 4.143 3.872 -21.400 291 1HG2 VAL 34 1HG2 VAL 34 1.544 2.274 -21.005 292 2HG2 VAL 34 2HG2 VAL 34 3.021 1.640 -21.733 293 3HG2 VAL 34 3HG2 VAL 34 2.295 0.816 -20.341 294 H LYS 35 H LYS 35 4.652 -0.059 -20.932 295 HA LYS 35 HA LYS 35 6.945 0.740 -22.645 296 1HB LYS 35 1HB LYS 35 7.818 -0.434 -20.651 297 2HB LYS 35 2HB LYS 35 6.614 -1.706 -20.857 298 1HG LYS 35 1HG LYS 35 7.748 -2.460 -22.928 299 2HG LYS 35 2HG LYS 35 8.920 -1.142 -22.765 300 1HD LYS 35 1HD LYS 35 9.867 -3.256 -21.967 301 2HD LYS 35 2HD LYS 35 9.713 -2.111 -20.626 302 1HE LYS 35 1HE LYS 35 7.608 -3.238 -19.909 303 2HE LYS 35 2HE LYS 35 7.741 -4.364 -21.265 304 1HZ LYS 35 1HZ LYS 35 8.507 -5.271 -19.153 305 2HZ LYS 35 2HZ LYS 35 9.728 -5.266 -20.256 306 3HZ LYS 35 3HZ LYS 35 9.702 -4.157 -19.050 307 H ASN 36 H ASN 36 6.970 -0.619 -24.607 308 HA ASN 36 HA ASN 36 4.492 -2.235 -25.061 309 1HB ASN 36 1HB ASN 36 4.416 -0.224 -26.484 310 2HB ASN 36 2HB ASN 36 6.021 -0.608 -27.126 311 1HD2 ASN 36 2HD2 ASN 36 2.743 -2.130 -26.686 312 2HD2 ASN 36 1HD2 ASN 36 2.830 -3.110 -28.124 313 H ARG 37 H ARG 37 4.966 -4.343 -25.368 314 HA ARG 37 HA ARG 37 7.736 -5.211 -25.058 315 1HB ARG 37 1HB ARG 37 5.058 -6.613 -25.407 316 2HB ARG 37 2HB ARG 37 6.557 -7.494 -25.135 317 1HG ARG 37 1HG ARG 37 6.753 -6.826 -22.915 318 2HG ARG 37 2HG ARG 37 5.791 -5.358 -23.140 319 1HD ARG 37 1HD ARG 37 4.556 -7.066 -21.847 320 2HD ARG 37 2HD ARG 37 3.748 -6.596 -23.329 321 HE ARG 37 HE ARG 37 4.230 -8.674 -24.308 322 1HH1 ARG 37 1HH2 ARG 37 5.479 -8.529 -20.934 323 2HH1 ARG 37 2HH2 ARG 37 5.534 -10.253 -20.772 324 1HH2 ARG 37 1HH1 ARG 37 4.202 -10.918 -24.014 325 2HH2 ARG 37 2HH1 ARG 37 4.825 -11.649 -22.566 326 H ASP 38 H ASP 38 8.758 -6.774 -26.468 327 HA ASP 38 HA ASP 38 8.610 -6.310 -29.274 328 1HB ASP 38 1HB ASP 38 10.603 -7.203 -28.177 329 2HB ASP 38 2HB ASP 38 9.721 -8.650 -27.680 330 H ASP 39 H ASP 39 6.869 -8.574 -27.146 331 HA ASP 39 HA ASP 39 5.784 -10.166 -29.278 332 1HB ASP 39 1HB ASP 39 4.715 -11.389 -27.734 333 2HB ASP 39 2HB ASP 39 5.998 -10.736 -26.734 334 H GLY 40 H GLY 40 5.104 -6.959 -28.344 335 1HA GLY 40 1HA GLY 40 3.927 -5.657 -29.908 336 2HA GLY 40 2HA GLY 40 2.746 -6.954 -30.138 337 H ARG 41 H ARG 41 2.802 -7.293 -26.973 338 HA ARG 41 HA ARG 41 0.532 -5.418 -26.764 339 1HB ARG 41 1HB ARG 41 -0.479 -6.835 -25.429 340 2HB ARG 41 2HB ARG 41 0.532 -7.987 -26.259 341 1HG ARG 41 1HG ARG 41 2.098 -7.806 -24.207 342 2HG ARG 41 2HG ARG 41 0.779 -6.903 -23.435 343 1HD ARG 41 1HD ARG 41 0.482 -9.144 -22.739 344 2HD ARG 41 2HD ARG 41 -0.747 -8.872 -23.983 345 HE ARG 41 HE ARG 41 1.826 -9.965 -24.920 346 1HH1 ARG 41 1HH2 ARG 41 -1.503 -10.916 -23.837 347 2HH1 ARG 41 2HH2 ARG 41 -1.313 -12.495 -24.498 348 1HH2 ARG 41 1HH1 ARG 41 2.010 -11.946 -25.653 349 2HH2 ARG 41 2HH1 ARG 41 0.717 -13.126 -25.600 350 H VAL 42 H VAL 42 0.166 -4.472 -24.432 351 HA VAL 42 HA VAL 42 2.593 -2.804 -23.991 352 HB VAL 42 HB VAL 42 -0.384 -2.408 -23.548 353 1HG1 VAL 42 1HG1 VAL 42 0.676 -1.383 -21.581 354 2HG1 VAL 42 2HG1 VAL 42 1.850 -0.548 -22.627 355 3HG1 VAL 42 3HG1 VAL 42 0.123 -0.133 -22.696 356 1HG2 VAL 42 1HG2 VAL 42 0.001 -0.522 -25.066 357 2HG2 VAL 42 2HG2 VAL 42 1.739 -0.922 -25.151 358 3HG2 VAL 42 3HG2 VAL 42 0.514 -2.032 -25.822 359 H GLU 43 H GLU 43 3.306 -2.408 -21.883 360 HA GLU 43 HA GLU 43 2.394 -4.280 -19.789 361 1HB GLU 43 1HB GLU 43 4.400 -5.148 -21.047 362 2HB GLU 43 2HB GLU 43 5.312 -3.752 -20.486 363 1HG GLU 43 1HG GLU 43 5.026 -4.452 -18.157 364 2HG GLU 43 2HG GLU 43 3.925 -5.745 -18.632 365 H ILE 44 H ILE 44 2.526 -3.358 -17.718 366 HA ILE 44 HA ILE 44 3.426 -0.540 -17.501 367 HB ILE 44 HB ILE 44 0.871 -1.500 -16.239 368 1HG1 ILE 44 1HG1 ILE 44 0.877 -0.415 -19.078 369 2HG1 ILE 44 2HG1 ILE 44 0.451 -2.059 -18.598 370 1HG2 ILE 44 1HG2 ILE 44 1.633 1.257 -17.297 371 2HG2 ILE 44 2HG2 ILE 44 0.338 0.854 -16.148 372 3HG2 ILE 44 3HG2 ILE 44 2.013 0.703 -15.658 373 1HD1 ILE 44 1HD1 ILE 44 -1.104 0.440 -17.889 374 2HD1 ILE 44 2HD1 ILE 44 -1.571 -0.867 -18.986 375 3HD1 ILE 44 3HD1 ILE 44 -1.436 -1.190 -17.247 376 H LEU 45 H LEU 45 4.250 -0.109 -15.391 377 HA LEU 45 HA LEU 45 4.008 -2.200 -13.295 378 1HB LEU 45 1HB LEU 45 5.911 -2.877 -14.671 379 2HB LEU 45 2HB LEU 45 6.650 -1.287 -14.527 380 HG LEU 45 HG LEU 45 6.078 -3.005 -12.075 381 1HD1 LEU 45 1HD1 LEU 45 8.380 -3.878 -12.266 382 2HD1 LEU 45 2HD1 LEU 45 7.376 -4.376 -13.631 383 3HD1 LEU 45 3HD1 LEU 45 8.554 -3.064 -13.839 384 1HD2 LEU 45 1HD2 LEU 45 6.716 -0.779 -11.415 385 2HD2 LEU 45 2HD2 LEU 45 8.179 -1.754 -11.261 386 3HD2 LEU 45 3HD2 LEU 45 7.969 -0.690 -12.662 387 H ALA 46 H ALA 46 3.602 -1.094 -11.386 388 HA ALA 46 HA ALA 46 4.780 1.543 -10.935 389 1HB ALA 46 1HB ALA 46 1.750 1.209 -10.990 390 2HB ALA 46 2HB ALA 46 2.639 2.701 -10.716 391 3HB ALA 46 3HB ALA 46 2.663 1.960 -12.326 392 H GLU 47 H GLU 47 4.194 2.376 -8.801 393 HA GLU 47 HA GLU 47 3.440 0.277 -6.838 394 1HB GLU 47 1HB GLU 47 4.880 1.325 -5.231 395 2HB GLU 47 2HB GLU 47 5.807 0.831 -6.646 396 1HG GLU 47 1HG GLU 47 5.863 3.172 -7.444 397 2HG GLU 47 2HG GLU 47 4.835 3.680 -6.104 398 H GLY 48 H GLY 48 2.183 0.924 -5.068 399 1HA GLY 48 1HA GLY 48 1.245 3.443 -4.402 400 2HA GLY 48 2HA GLY 48 0.120 2.827 -5.621 401 HA PRO 49 HA PRO 49 -1.013 0.807 -1.555 402 1HB PRO 49 1HB PRO 49 -3.433 2.023 -1.096 403 2HB PRO 49 2HB PRO 49 -1.875 2.655 -0.484 404 1HG PRO 49 1HG PRO 49 -3.422 3.530 -2.917 405 2HG PRO 49 2HG PRO 49 -2.607 4.551 -1.698 406 1HD PRO 49 1HD PRO 49 -1.476 3.909 -4.145 407 2HD PRO 49 2HD PRO 49 -0.497 4.200 -2.676 408 H GLU 50 H GLU 50 -2.660 -0.847 -1.462 409 HA GLU 50 HA GLU 50 -3.020 -2.160 -3.877 410 1HB GLU 50 1HB GLU 50 -3.040 -3.157 -1.593 411 2HB GLU 50 2HB GLU 50 -4.655 -2.490 -1.327 412 1HG GLU 50 1HG GLU 50 -5.508 -3.849 -3.248 413 2HG GLU 50 2HG GLU 50 -3.888 -4.504 -3.490 414 H ASN 51 H ASN 51 -5.426 -0.110 -2.154 415 HA ASN 51 HA ASN 51 -7.601 -0.654 -3.909 416 1HB ASN 51 1HB ASN 51 -7.927 0.418 -1.727 417 2HB ASN 51 2HB ASN 51 -7.006 1.834 -2.246 418 1HD2 ASN 51 2HD2 ASN 51 -8.209 3.529 -3.157 419 2HD2 ASN 51 1HD2 ASN 51 -9.823 3.350 -3.789 420 H ALA 52 H ALA 52 -4.989 1.782 -4.118 421 HA ALA 52 HA ALA 52 -6.110 3.240 -6.360 422 1HB ALA 52 1HB ALA 52 -3.258 2.984 -5.284 423 2HB ALA 52 2HB ALA 52 -3.774 4.135 -6.518 424 3HB ALA 52 3HB ALA 52 -4.436 4.260 -4.884 425 H LEU 53 H LEU 53 -3.714 0.604 -5.984 426 HA LEU 53 HA LEU 53 -3.073 0.346 -8.745 427 1HB LEU 53 1HB LEU 53 -2.991 -1.629 -6.440 428 2HB LEU 53 2HB LEU 53 -2.291 -1.969 -8.012 429 HG LEU 53 HG LEU 53 -1.432 0.376 -6.255 430 1HD1 LEU 53 1HD1 LEU 53 -0.229 -2.408 -6.567 431 2HD1 LEU 53 2HD1 LEU 53 0.507 -1.045 -5.688 432 3HD1 LEU 53 3HD1 LEU 53 -1.024 -1.730 -5.127 433 1HD2 LEU 53 1HD2 LEU 53 -0.842 0.572 -8.713 434 2HD2 LEU 53 2HD2 LEU 53 0.529 0.544 -7.604 435 3HD2 LEU 53 3HD2 LEU 53 0.131 -0.907 -8.516 436 H GLN 54 H GLN 54 -5.536 -1.355 -6.762 437 HA GLN 54 HA GLN 54 -6.439 -2.949 -8.953 438 1HB GLN 54 1HB GLN 54 -7.637 -2.225 -6.254 439 2HB GLN 54 2HB GLN 54 -8.503 -3.243 -7.399 440 1HG GLN 54 1HG GLN 54 -5.707 -3.860 -6.334 441 2HG GLN 54 2HG GLN 54 -7.197 -4.545 -5.695 442 1HE2 GLN 54 2HE2 GLN 54 -4.661 -5.523 -7.482 443 2HE2 GLN 54 1HE2 GLN 54 -5.476 -6.547 -8.649 444 H SER 55 H SER 55 -7.600 0.175 -7.663 445 HA SER 55 HA SER 55 -9.824 0.455 -9.433 446 1HB SER 55 1HB SER 55 -8.000 2.629 -8.318 447 2HB SER 55 2HB SER 55 -9.621 2.862 -8.998 448 HG SER 55 HG SER 55 -8.850 1.510 -6.629 449 H PHE 56 H PHE 56 -6.337 1.248 -9.829 450 HA PHE 56 HA PHE 56 -6.529 2.305 -12.449 451 1HB PHE 56 1HB PHE 56 -4.584 2.621 -11.069 452 2HB PHE 56 2HB PHE 56 -4.271 0.898 -10.981 453 HD1 PHE 56 HD1 PHE 56 -3.570 -0.392 -13.032 454 HD2 PHE 56 HD2 PHE 56 -3.834 3.920 -12.944 455 HE1 PHE 56 HE1 PHE 56 -2.216 -0.255 -15.110 456 HE2 PHE 56 HE2 PHE 56 -2.426 4.023 -14.962 457 HZ PHE 56 HZ PHE 56 -1.640 1.957 -16.070 458 H VAL 57 H VAL 57 -5.943 -1.148 -11.375 459 HA VAL 57 HA VAL 57 -5.722 -2.239 -13.952 460 HB VAL 57 HB VAL 57 -6.839 -3.379 -11.358 461 1HG1 VAL 57 1HG1 VAL 57 -6.313 -4.921 -13.928 462 2HG1 VAL 57 2HG1 VAL 57 -6.602 -5.645 -12.327 463 3HG1 VAL 57 3HG1 VAL 57 -7.879 -4.721 -13.113 464 1HG2 VAL 57 1HG2 VAL 57 -4.340 -2.830 -11.571 465 2HG2 VAL 57 2HG2 VAL 57 -4.747 -4.492 -11.130 466 3HG2 VAL 57 3HG2 VAL 57 -4.270 -4.109 -12.796 467 H GLU 58 H GLU 58 -8.743 -1.644 -12.040 468 HA GLU 58 HA GLU 58 -10.507 -2.582 -14.054 469 1HB GLU 58 1HB GLU 58 -10.892 -0.476 -11.883 470 2HB GLU 58 2HB GLU 58 -12.200 -1.105 -12.878 471 1HG GLU 58 1HG GLU 58 -10.448 -2.815 -11.064 472 2HG GLU 58 2HG GLU 58 -12.011 -2.154 -10.614 473 H ALA 59 H ALA 59 -9.059 0.633 -13.555 474 HA ALA 59 HA ALA 59 -10.545 1.980 -15.579 475 1HB ALA 59 1HB ALA 59 -8.833 3.703 -15.430 476 2HB ALA 59 2HB ALA 59 -9.256 3.137 -13.799 477 3HB ALA 59 3HB ALA 59 -7.740 2.618 -14.565 478 H VAL 60 H VAL 60 -7.384 0.206 -15.774 479 HA VAL 60 HA VAL 60 -7.017 0.818 -18.563 480 HB VAL 60 HB VAL 60 -6.008 -1.730 -17.209 481 1HG1 VAL 60 1HG1 VAL 60 -4.953 -0.068 -19.549 482 2HG1 VAL 60 2HG1 VAL 60 -4.206 -1.537 -18.891 483 3HG1 VAL 60 3HG1 VAL 60 -5.783 -1.629 -19.681 484 1HG2 VAL 60 1HG2 VAL 60 -4.798 1.071 -17.163 485 2HG2 VAL 60 2HG2 VAL 60 -5.147 -0.009 -15.793 486 3HG2 VAL 60 3HG2 VAL 60 -3.856 -0.413 -16.898 487 H LYS 61 H LYS 61 -8.504 -2.005 -16.853 488 HA LYS 61 HA LYS 61 -9.130 -3.500 -19.147 489 1HB LYS 61 1HB LYS 61 -9.186 -4.259 -16.761 490 2HB LYS 61 2HB LYS 61 -10.681 -3.349 -16.520 491 1HG LYS 61 1HG LYS 61 -11.834 -4.742 -18.182 492 2HG LYS 61 2HG LYS 61 -10.319 -5.596 -18.552 493 1HD LYS 61 1HD LYS 61 -10.231 -6.437 -16.215 494 2HD LYS 61 2HD LYS 61 -11.749 -5.583 -15.855 495 1HE LYS 61 1HE LYS 61 -12.904 -6.914 -17.614 496 2HE LYS 61 2HE LYS 61 -11.396 -7.767 -17.962 497 1HZ LYS 61 1HZ LYS 61 -12.817 -9.043 -16.491 498 2HZ LYS 61 2HZ LYS 61 -11.451 -8.647 -15.697 499 3HZ LYS 61 3HZ LYS 61 -12.847 -7.856 -15.378 500 H ASN 62 H ASN 62 -11.051 -0.963 -17.510 501 HA ASN 62 HA ASN 62 -13.301 -1.110 -19.293 502 1HB ASN 62 1HB ASN 62 -13.380 -0.188 -16.983 503 2HB ASN 62 2HB ASN 62 -12.325 1.137 -17.482 504 1HD2 ASN 62 2HD2 ASN 62 -13.429 3.008 -17.945 505 2HD2 ASN 62 1HD2 ASN 62 -15.082 3.083 -18.535 506 H GLY 63 H GLY 63 -10.125 0.352 -19.644 507 1HA GLY 63 1HA GLY 63 -9.204 1.755 -21.145 508 2HA GLY 63 2HA GLY 63 -10.474 1.254 -22.278 509 H SER 64 H SER 64 -10.729 3.034 -19.158 510 HA SER 64 HA SER 64 -13.013 4.230 -19.745 511 1HB SER 64 1HB SER 64 -10.899 5.493 -17.973 512 2HB SER 64 2HB SER 64 -12.656 5.686 -17.851 513 HG SER 64 HG SER 64 -11.705 4.096 -16.429 514 HA PRO 65 HA PRO 65 -11.570 8.376 -21.417 515 1HB PRO 65 1HB PRO 65 -9.006 8.877 -22.246 516 2HB PRO 65 2HB PRO 65 -9.569 9.105 -20.567 517 1HG PRO 65 1HG PRO 65 -8.080 6.739 -21.722 518 2HG PRO 65 2HG PRO 65 -7.762 7.619 -20.193 519 1HD PRO 65 1HD PRO 65 -9.181 5.273 -20.265 520 2HD PRO 65 2HD PRO 65 -9.565 6.580 -19.111 521 H PHE 66 H PHE 66 -9.402 5.920 -22.967 522 HA PHE 66 HA PHE 66 -11.125 5.358 -25.127 523 1HB PHE 66 1HB PHE 66 -9.665 6.137 -26.974 524 2HB PHE 66 2HB PHE 66 -10.394 7.465 -26.111 525 HD1 PHE 66 HD1 PHE 66 -7.242 5.848 -27.053 526 HD2 PHE 66 HD2 PHE 66 -9.017 8.938 -24.622 527 HE1 PHE 66 HE1 PHE 66 -5.033 6.932 -26.799 528 HE2 PHE 66 HE2 PHE 66 -6.785 9.977 -24.313 529 HZ PHE 66 HZ PHE 66 -4.784 8.972 -25.397 530 H SER 67 H SER 67 -10.187 3.659 -26.376 531 HA SER 67 HA SER 67 -8.224 2.245 -26.957 532 1HB SER 67 1HB SER 67 -7.305 0.812 -25.155 533 2HB SER 67 2HB SER 67 -6.855 2.509 -24.986 534 HG SER 67 HG SER 67 -8.252 2.752 -23.412 535 H LYS 68 H LYS 68 -8.464 -0.295 -26.621 536 HA LYS 68 HA LYS 68 -10.541 -0.923 -24.842 537 1HB LYS 68 1HB LYS 68 -12.120 -2.142 -25.928 538 2HB LYS 68 2HB LYS 68 -11.929 -0.793 -27.019 539 1HG LYS 68 1HG LYS 68 -10.818 -3.611 -27.403 540 2HG LYS 68 2HG LYS 68 -12.246 -2.921 -28.166 541 1HD LYS 68 1HD LYS 68 -10.782 -1.198 -29.287 542 2HD LYS 68 2HD LYS 68 -9.389 -1.990 -28.554 543 1HE LYS 68 1HE LYS 68 -9.536 -2.800 -30.803 544 2HE LYS 68 2HE LYS 68 -9.990 -4.123 -29.728 545 1HZ LYS 68 1HZ LYS 68 -11.892 -2.411 -31.234 546 2HZ LYS 68 2HZ LYS 68 -11.482 -3.936 -31.620 547 3HZ LYS 68 3HZ LYS 68 -12.321 -3.651 -30.256 548 H VAL 69 H VAL 69 -10.455 -3.244 -24.221 549 HA VAL 69 HA VAL 69 -7.735 -4.342 -24.761 550 HB VAL 69 HB VAL 69 -9.207 -4.117 -22.102 551 1HG1 VAL 69 1HG1 VAL 69 -6.414 -5.150 -22.725 552 2HG1 VAL 69 2HG1 VAL 69 -7.082 -4.888 -21.101 553 3HG1 VAL 69 3HG1 VAL 69 -7.795 -6.114 -22.150 554 1HG2 VAL 69 1HG2 VAL 69 -7.327 -2.573 -21.474 555 2HG2 VAL 69 2HG2 VAL 69 -6.776 -2.600 -23.160 556 3HG2 VAL 69 3HG2 VAL 69 -8.356 -1.902 -22.734 557 H THR 70 H THR 70 -7.685 -6.498 -25.125 558 HA THR 70 HA THR 70 -10.201 -8.081 -24.897 559 HB THR 70 HB THR 70 -9.394 -9.164 -27.038 560 HG1 THR 70 HG1 THR 70 -7.278 -8.551 -27.159 561 1HG2 THR 70 1HG2 THR 70 -11.154 -7.378 -27.025 562 2HG2 THR 70 2HG2 THR 70 -9.884 -6.158 -27.280 563 3HG2 THR 70 3HG2 THR 70 -10.186 -7.402 -28.509 564 H ASP 71 H ASP 71 -7.043 -7.753 -23.772 565 HA ASP 71 HA ASP 71 -7.096 -10.386 -22.498 566 1HB ASP 71 1HB ASP 71 -5.782 -11.010 -24.428 567 2HB ASP 71 2HB ASP 71 -4.927 -9.470 -24.413 568 H ILE 72 H ILE 72 -6.313 -10.067 -20.421 569 HA ILE 72 HA ILE 72 -4.445 -7.924 -19.863 570 HB ILE 72 HB ILE 72 -6.492 -6.702 -19.594 571 1HG1 ILE 72 1HG1 ILE 72 -5.559 -7.425 -16.788 572 2HG1 ILE 72 2HG1 ILE 72 -4.573 -6.499 -17.910 573 1HG2 ILE 72 1HG2 ILE 72 -8.304 -7.270 -18.070 574 2HG2 ILE 72 2HG2 ILE 72 -8.121 -8.530 -19.283 575 3HG2 ILE 72 3HG2 ILE 72 -7.509 -8.795 -17.636 576 1HD1 ILE 72 1HD1 ILE 72 -6.411 -4.771 -18.051 577 2HD1 ILE 72 2HD1 ILE 72 -7.268 -5.669 -16.772 578 3HD1 ILE 72 3HD1 ILE 72 -5.684 -4.948 -16.447 579 H SER 73 H SER 73 -3.074 -8.529 -18.250 580 HA SER 73 HA SER 73 -3.798 -10.722 -16.408 581 1HB SER 73 1HB SER 73 -1.248 -10.659 -18.084 582 2HB SER 73 2HB SER 73 -1.587 -11.787 -16.761 583 HG SER 73 HG SER 73 -2.031 -12.687 -18.818 584 H VAL 74 H VAL 74 -2.662 -10.528 -14.417 585 HA VAL 74 HA VAL 74 -1.136 -8.028 -13.979 586 HB VAL 74 HB VAL 74 -3.602 -8.891 -12.398 587 1HG1 VAL 74 1HG1 VAL 74 -2.061 -7.678 -10.974 588 2HG1 VAL 74 2HG1 VAL 74 -1.846 -6.406 -12.187 589 3HG1 VAL 74 3HG1 VAL 74 -3.408 -6.614 -11.366 590 1HG2 VAL 74 1HG2 VAL 74 -3.352 -6.688 -14.482 591 2HG2 VAL 74 2HG2 VAL 74 -4.436 -8.091 -14.506 592 3HG2 VAL 74 3HG2 VAL 74 -4.685 -6.821 -13.315 593 H THR 75 H THR 75 0.304 -8.190 -12.313 594 HA THR 75 HA THR 75 0.231 -10.478 -10.443 595 HB THR 75 HB THR 75 2.763 -9.330 -11.714 596 HG1 THR 75 HG1 THR 75 1.599 -10.549 -13.215 597 1HG2 THR 75 1HG2 THR 75 2.329 -11.754 -9.911 598 2HG2 THR 75 2HG2 THR 75 3.855 -11.348 -10.729 599 3HG2 THR 75 3HG2 THR 75 3.207 -10.262 -9.499 600 H GLU 76 H GLU 76 1.079 -9.730 -8.303 601 HA GLU 76 HA GLU 76 1.448 -6.802 -8.078 602 1HB GLU 76 1HB GLU 76 -0.392 -8.500 -6.361 603 2HB GLU 76 2HB GLU 76 0.153 -6.869 -5.943 604 1HG GLU 76 1HG GLU 76 -0.848 -5.991 -8.045 605 2HG GLU 76 2HG GLU 76 -1.481 -7.599 -8.410 606 H SER 77 H SER 77 2.822 -6.183 -6.437 607 HA SER 77 HA SER 77 4.698 -8.283 -5.464 608 1HB SER 77 1HB SER 77 5.379 -5.890 -7.217 609 2HB SER 77 2HB SER 77 6.500 -7.138 -6.647 610 HG SER 77 HG SER 77 5.836 -7.524 -8.792 611 H ARG 78 H ARG 78 6.469 -7.239 -4.124 612 HA ARG 78 HA ARG 78 5.537 -4.783 -2.681 613 1HB ARG 78 1HB ARG 78 6.710 -7.387 -1.621 614 2HB ARG 78 2HB ARG 78 6.864 -5.894 -0.729 615 1HG ARG 78 1HG ARG 78 5.054 -7.075 0.202 616 2HG ARG 78 2HG ARG 78 4.447 -5.619 -0.571 617 1HD ARG 78 1HD ARG 78 2.969 -7.584 -0.850 618 2HD ARG 78 2HD ARG 78 3.491 -6.895 -2.383 619 HE ARG 78 HE ARG 78 5.118 -9.124 -1.346 620 1HH1 ARG 78 1HH2 ARG 78 2.289 -8.336 -3.324 621 2HH1 ARG 78 2HH2 ARG 78 2.578 -9.580 -4.496 622 1HH2 ARG 78 1HH1 ARG 78 5.356 -10.944 -2.755 623 2HH2 ARG 78 2HH1 ARG 78 4.223 -11.216 -4.022 624 H SER 79 H SER 79 7.811 -5.800 -4.882 625 HA SER 79 HA SER 79 10.264 -5.156 -3.684 626 1HB SER 79 1HB SER 79 9.607 -4.947 -6.640 627 2HB SER 79 2HB SER 79 11.143 -5.387 -5.884 628 HG SER 79 HG SER 79 10.019 -7.224 -6.650 629 H LEU 80 H LEU 80 7.850 -3.109 -5.200 630 HA LEU 80 HA LEU 80 7.586 -0.903 -5.524 631 1HB LEU 80 1HB LEU 80 9.940 -0.470 -3.651 632 2HB LEU 80 2HB LEU 80 8.875 0.773 -4.243 633 HG LEU 80 HG LEU 80 8.057 -1.532 -2.436 634 1HD1 LEU 80 1HD1 LEU 80 8.304 1.457 -1.903 635 2HD1 LEU 80 2HD1 LEU 80 7.758 0.222 -0.746 636 3HD1 LEU 80 3HD1 LEU 80 9.425 0.198 -1.338 637 1HD2 LEU 80 1HD2 LEU 80 6.386 0.790 -3.489 638 2HD2 LEU 80 2HD2 LEU 80 6.133 -0.934 -3.854 639 3HD2 LEU 80 3HD2 LEU 80 5.885 -0.344 -2.216 640 H GLU 81 H GLU 81 8.875 1.149 -6.396 641 HA GLU 81 HA GLU 81 11.041 0.273 -8.201 642 1HB GLU 81 1HB GLU 81 9.930 0.976 -10.204 643 2HB GLU 81 2HB GLU 81 9.034 -0.282 -9.393 644 1HG GLU 81 1HG GLU 81 7.365 1.153 -10.128 645 2HG GLU 81 2HG GLU 81 7.522 1.564 -8.429 646 H GLY 82 H GLY 82 9.464 2.848 -6.424 647 1HA GLY 82 1HA GLY 82 10.695 4.352 -5.278 648 2HA GLY 82 2HA GLY 82 12.129 3.889 -6.193 649 H HIS 83 H HIS 83 9.665 4.931 -8.384 650 HA HIS 83 HA HIS 83 10.957 7.590 -8.662 651 1HB HIS 83 1HB HIS 83 8.802 6.232 -10.328 652 2HB HIS 83 2HB HIS 83 9.520 7.800 -10.666 653 HD1 HIS 83 HD1 HIS 83 10.058 4.220 -11.400 654 HD2 HIS 83 HD2 HIS 83 12.324 7.763 -11.161 655 HE1 HIS 83 HE1 HIS 83 12.241 3.775 -12.676 656 H HIS 84 H HIS 84 9.210 9.351 -9.176 657 HA HIS 84 HA HIS 84 6.970 9.286 -7.211 658 1HB HIS 84 1HB HIS 84 7.529 11.628 -6.663 659 2HB HIS 84 2HB HIS 84 8.833 10.528 -6.254 660 HD1 HIS 84 HD1 HIS 84 11.170 10.920 -7.520 661 HD2 HIS 84 HD2 HIS 84 7.955 13.311 -8.818 662 HE1 HIS 84 HE1 HIS 84 12.160 12.661 -9.088 663 H ARG 85 H ARG 85 7.214 8.861 -10.255 664 HA ARG 85 HA ARG 85 5.190 10.764 -11.172 665 1HB ARG 85 1HB ARG 85 6.560 11.391 -13.152 666 2HB ARG 85 2HB ARG 85 7.203 12.040 -11.655 667 1HG ARG 85 1HG ARG 85 9.026 10.497 -11.599 668 2HG ARG 85 2HG ARG 85 8.311 9.451 -12.832 669 1HD ARG 85 1HD ARG 85 9.237 12.304 -13.338 670 2HD ARG 85 2HD ARG 85 10.205 10.852 -13.669 671 HE ARG 85 HE ARG 85 7.989 10.208 -15.004 672 1HH1 ARG 85 1HH2 ARG 85 9.931 13.177 -15.200 673 2HH1 ARG 85 2HH2 ARG 85 9.256 13.668 -16.709 674 1HH2 ARG 85 1HH1 ARG 85 6.984 10.915 -16.808 675 2HH2 ARG 85 2HH1 ARG 85 7.559 12.284 -17.722 676 H PHE 86 H PHE 86 4.552 10.139 -13.469 677 HA PHE 86 HA PHE 86 4.769 7.221 -13.936 678 1HB PHE 86 1HB PHE 86 3.185 7.648 -15.763 679 2HB PHE 86 2HB PHE 86 2.542 8.075 -14.192 680 HD1 PHE 86 HD1 PHE 86 1.738 10.276 -13.736 681 HD2 PHE 86 HD2 PHE 86 3.972 9.526 -17.352 682 HE1 PHE 86 HE1 PHE 86 1.174 12.551 -14.571 683 HE2 PHE 86 HE2 PHE 86 3.376 11.779 -18.189 684 HZ PHE 86 HZ PHE 86 1.980 13.299 -16.799 685 H SER 87 H SER 87 5.848 6.479 -15.826 686 HA SER 87 HA SER 87 7.245 8.475 -17.545 687 1HB SER 87 1HB SER 87 8.482 6.071 -16.141 688 2HB SER 87 2HB SER 87 9.306 7.131 -17.300 689 HG SER 87 HG SER 87 9.719 7.711 -15.120 690 H ILE 88 H ILE 88 8.166 7.450 -19.540 691 HA ILE 88 HA ILE 88 6.507 5.179 -20.508 692 HB ILE 88 HB ILE 88 6.868 7.836 -21.969 693 1HG1 ILE 88 1HG1 ILE 88 4.521 6.749 -20.374 694 2HG1 ILE 88 2HG1 ILE 88 5.370 8.269 -20.131 695 1HG2 ILE 88 1HG2 ILE 88 5.338 6.894 -23.610 696 2HG2 ILE 88 2HG2 ILE 88 6.660 5.755 -23.381 697 3HG2 ILE 88 3HG2 ILE 88 5.093 5.448 -22.605 698 1HD1 ILE 88 1HD1 ILE 88 3.458 7.603 -22.397 699 2HD1 ILE 88 2HD1 ILE 88 3.206 8.714 -21.050 700 3HD1 ILE 88 3HD1 ILE 88 4.421 9.103 -22.290 701 H VAL 89 H VAL 89 7.900 3.677 -21.162 702 HA VAL 89 HA VAL 89 10.715 4.194 -21.584 703 HB VAL 89 HB VAL 89 8.960 1.758 -22.160 704 1HG1 VAL 89 1HG1 VAL 89 11.999 1.972 -21.993 705 2HG1 VAL 89 2HG1 VAL 89 11.075 0.458 -22.094 706 3HG1 VAL 89 3HG1 VAL 89 11.041 1.588 -23.443 707 1HG2 VAL 89 1HG2 VAL 89 9.921 0.859 -20.043 708 2HG2 VAL 89 2HG2 VAL 89 10.742 2.408 -19.764 709 3HG2 VAL 89 3HG2 VAL 89 8.970 2.312 -19.750 710 H TYR 90 H TYR 90 11.796 4.379 -23.588 711 HA TYR 90 HA TYR 90 10.365 5.630 -25.675 712 1HB TYR 90 1HB TYR 90 12.764 5.968 -25.181 713 2HB TYR 90 2HB TYR 90 13.117 4.330 -25.716 714 HD1 TYR 90 HD1 TYR 90 13.401 3.827 -28.064 715 HD2 TYR 90 HD2 TYR 90 11.897 7.683 -26.832 716 HE1 TYR 90 HE1 TYR 90 13.693 4.670 -30.370 717 HE2 TYR 90 HE2 TYR 90 12.185 8.537 -29.140 718 HH TYR 90 HH TYR 90 13.474 6.493 -31.806 719 H SER 91 H SER 91 11.662 2.321 -25.438 720 HA SER 91 HA SER 91 11.048 1.281 -27.917 721 1HB SER 91 1HB SER 91 10.796 -0.208 -25.278 722 2HB SER 91 2HB SER 91 11.232 -0.871 -26.859 723 HG SER 91 HG SER 91 13.098 -0.511 -25.551 Start of MODEL 3 1 1H MET 1 1H MET 1 2.777 -0.069 2.280 2 2H MET 1 2H MET 1 2.653 -1.641 1.825 3 3H MET 1 3H MET 1 4.020 -0.816 1.503 4 HA MET 1 HA MET 1 1.373 -0.270 0.368 5 1HB MET 1 1HB MET 1 3.246 1.647 0.715 6 2HB MET 1 2HB MET 1 3.860 0.956 -0.786 7 1HG MET 1 1HG MET 1 1.480 1.218 -1.692 8 2HG MET 1 2HG MET 1 1.102 2.114 -0.231 9 1HE MET 1 1HE MET 1 3.879 3.442 -3.679 10 2HE MET 1 2HE MET 1 4.604 2.484 -2.373 11 3HE MET 1 3HE MET 1 3.287 1.794 -3.346 12 H LEU 2 H LEU 2 1.775 -0.463 -2.343 13 HA LEU 2 HA LEU 2 2.972 -3.163 -2.737 14 1HB LEU 2 1HB LEU 2 0.109 -2.254 -2.999 15 2HB LEU 2 2HB LEU 2 0.742 -3.338 -4.208 16 HG LEU 2 HG LEU 2 1.495 -4.889 -2.293 17 1HD1 LEU 2 1HD1 LEU 2 -0.090 -4.813 -0.331 18 2HD1 LEU 2 2HD1 LEU 2 1.081 -3.505 -0.337 19 3HD1 LEU 2 3HD1 LEU 2 -0.594 -3.192 -0.847 20 1HD2 LEU 2 1HD2 LEU 2 -0.734 -5.966 -2.313 21 2HD2 LEU 2 2HD2 LEU 2 -1.441 -4.484 -2.989 22 3HD2 LEU 2 3HD2 LEU 2 -0.252 -5.417 -3.921 23 H GLN 3 H GLN 3 2.670 -3.754 -5.125 24 HA GLN 3 HA GLN 3 2.956 -1.591 -7.059 25 1HB GLN 3 1HB GLN 3 5.212 -1.850 -6.278 26 2HB GLN 3 2HB GLN 3 5.095 -3.596 -6.223 27 1HG GLN 3 1HG GLN 3 4.872 -2.337 -8.945 28 2HG GLN 3 2HG GLN 3 6.404 -2.215 -8.113 29 1HE2 GLN 3 2HE2 GLN 3 7.804 -3.770 -8.692 30 2HE2 GLN 3 1HE2 GLN 3 7.377 -5.439 -9.071 31 H TYR 4 H TYR 4 2.659 -2.401 -9.246 32 HA TYR 4 HA TYR 4 1.666 -5.187 -9.417 33 1HB TYR 4 1HB TYR 4 0.036 -4.623 -11.085 34 2HB TYR 4 2HB TYR 4 -0.290 -3.787 -9.592 35 HD1 TYR 4 HD1 TYR 4 -1.527 -1.903 -10.131 36 HD2 TYR 4 HD2 TYR 4 1.782 -2.868 -12.719 37 HE1 TYR 4 HE1 TYR 4 -1.738 0.286 -11.234 38 HE2 TYR 4 HE2 TYR 4 1.597 -0.684 -13.785 39 HH TYR 4 HH TYR 4 0.553 1.395 -13.775 40 H ARG 5 H ARG 5 1.849 -6.109 -11.520 41 HA ARG 5 HA ARG 5 3.358 -4.608 -13.550 42 1HB ARG 5 1HB ARG 5 4.965 -6.276 -12.582 43 2HB ARG 5 2HB ARG 5 3.829 -7.574 -12.981 44 1HG ARG 5 1HG ARG 5 4.034 -6.998 -15.400 45 2HG ARG 5 2HG ARG 5 5.148 -5.679 -14.984 46 1HD ARG 5 1HD ARG 5 6.686 -7.348 -13.947 47 2HD ARG 5 2HD ARG 5 5.595 -8.654 -14.453 48 HE ARG 5 HE ARG 5 6.065 -7.436 -16.830 49 1HH1 ARG 5 1HH2 ARG 5 8.278 -8.730 -14.363 50 2HH1 ARG 5 2HH2 ARG 5 9.600 -8.891 -15.457 51 1HH2 ARG 5 2HH1 ARG 5 7.798 -7.460 -18.190 52 2HH2 ARG 5 1HH1 ARG 5 9.309 -8.217 -17.738 53 H ILE 6 H ILE 6 2.143 -4.703 -15.444 54 HA ILE 6 HA ILE 6 -0.209 -6.531 -15.561 55 HB ILE 6 HB ILE 6 -0.098 -3.509 -15.937 56 1HG1 ILE 6 1HG1 ILE 6 -1.875 -5.137 -14.087 57 2HG1 ILE 6 2HG1 ILE 6 -0.378 -4.365 -13.575 58 1HG2 ILE 6 1HG2 ILE 6 -2.394 -5.402 -16.600 59 2HG2 ILE 6 2HG2 ILE 6 -2.513 -3.629 -16.592 60 3HG2 ILE 6 3HG2 ILE 6 -1.454 -4.406 -17.742 61 1HD1 ILE 6 1HD1 ILE 6 -1.310 -2.154 -14.275 62 2HD1 ILE 6 2HD1 ILE 6 -2.883 -2.950 -14.542 63 3HD1 ILE 6 3HD1 ILE 6 -2.158 -2.939 -12.932 64 H ILE 7 H ILE 7 -0.599 -7.230 -17.677 65 HA ILE 7 HA ILE 7 0.961 -6.002 -19.855 66 HB ILE 7 HB ILE 7 0.832 -8.705 -20.529 67 1HG1 ILE 7 1HG1 ILE 7 0.591 -9.239 -18.026 68 2HG1 ILE 7 2HG1 ILE 7 1.780 -10.097 -18.979 69 1HG2 ILE 7 1HG2 ILE 7 2.530 -7.155 -21.260 70 2HG2 ILE 7 2HG2 ILE 7 3.221 -7.096 -19.632 71 3HG2 ILE 7 3HG2 ILE 7 3.270 -8.608 -20.565 72 1HD1 ILE 7 1HD1 ILE 7 2.556 -7.728 -17.230 73 2HD1 ILE 7 2HD1 ILE 7 2.563 -9.418 -16.688 74 3HD1 ILE 7 3HD1 ILE 7 3.617 -8.902 -18.011 75 H VAL 8 H VAL 8 -0.312 -5.600 -21.577 76 HA VAL 8 HA VAL 8 -3.120 -6.617 -21.558 77 HB VAL 8 HB VAL 8 -3.630 -4.114 -22.061 78 1HG1 VAL 8 1HG1 VAL 8 -3.927 -3.686 -19.624 79 2HG1 VAL 8 2HG1 VAL 8 -4.498 -5.267 -20.162 80 3HG1 VAL 8 3HG1 VAL 8 -2.959 -5.134 -19.285 81 1HG2 VAL 8 1HG2 VAL 8 -1.105 -3.654 -20.407 82 2HG2 VAL 8 2HG2 VAL 8 -1.264 -3.296 -22.142 83 3HG2 VAL 8 3HG2 VAL 8 -2.270 -2.446 -20.967 84 H ASP 9 H ASP 9 -4.075 -6.811 -23.521 85 HA ASP 9 HA ASP 9 -2.592 -5.907 -25.936 86 1HB ASP 9 1HB ASP 9 -2.062 -8.295 -25.596 87 2HB ASP 9 2HB ASP 9 -3.778 -8.665 -25.445 88 H GLY 10 H GLY 10 -3.994 -5.516 -27.728 89 1HA GLY 10 1HA GLY 10 -6.609 -5.603 -28.222 90 2HA GLY 10 2HA GLY 10 -6.570 -4.467 -26.852 91 H ARG 11 H ARG 11 -7.111 -2.679 -28.174 92 HA ARG 11 HA ARG 11 -5.089 -1.785 -30.137 93 1HB ARG 11 1HB ARG 11 -7.533 -1.343 -30.598 94 2HB ARG 11 2HB ARG 11 -7.604 -0.375 -29.132 95 1HG ARG 11 1HG ARG 11 -7.408 1.157 -30.889 96 2HG ARG 11 2HG ARG 11 -5.809 1.133 -30.154 97 1HD ARG 11 1HD ARG 11 -6.474 -0.555 -32.594 98 2HD ARG 11 2HD ARG 11 -6.048 1.141 -32.738 99 HE ARG 11 HE ARG 11 -3.888 0.720 -31.713 100 1HH1 ARG 11 1HH2 ARG 11 -5.523 -2.143 -33.076 101 2HH1 ARG 11 2HH2 ARG 11 -4.050 -2.996 -33.348 102 1HH2 ARG 11 1HH1 ARG 11 -2.017 -0.358 -32.084 103 2HH2 ARG 11 2HH1 ARG 11 -1.978 -1.956 -32.765 104 H VAL 12 H VAL 12 -3.410 -2.018 -28.486 105 HA VAL 12 HA VAL 12 -3.594 -0.095 -26.236 106 HB VAL 12 HB VAL 12 -1.868 -1.516 -25.179 107 1HG1 VAL 12 1HG1 VAL 12 -3.382 -3.320 -24.571 108 2HG1 VAL 12 2HG1 VAL 12 -4.261 -1.785 -24.702 109 3HG1 VAL 12 3HG1 VAL 12 -4.404 -2.993 -25.988 110 1HG2 VAL 12 1HG2 VAL 12 -2.369 -3.511 -27.437 111 2HG2 VAL 12 2HG2 VAL 12 -0.891 -2.543 -27.252 112 3HG2 VAL 12 3HG2 VAL 12 -1.338 -3.721 -26.016 113 H GLN 13 H GLN 13 -2.421 0.109 -29.267 114 HA GLN 13 HA GLN 13 -0.442 2.080 -28.476 115 1HB GLN 13 1HB GLN 13 0.705 -0.287 -28.647 116 2HB GLN 13 2HB GLN 13 0.432 -0.137 -30.378 117 1HG GLN 13 1HG GLN 13 2.675 0.538 -29.931 118 2HG GLN 13 2HG GLN 13 1.800 2.015 -30.312 119 1HE2 GLN 13 2HE2 GLN 13 2.944 -0.018 -27.557 120 2HE2 GLN 13 1HE2 GLN 13 3.142 1.313 -26.427 121 H GLY 14 H GLY 14 0.009 3.516 -30.326 122 1HA GLY 14 1HA GLY 14 -0.283 4.320 -32.482 123 2HA GLY 14 2HA GLY 14 -1.427 3.022 -32.840 124 H VAL 15 H VAL 15 -2.547 4.197 -29.969 125 HA VAL 15 HA VAL 15 -4.176 6.385 -31.172 126 HB VAL 15 HB VAL 15 -6.170 5.432 -30.117 127 1HG1 VAL 15 1HG1 VAL 15 -6.571 3.592 -31.619 128 2HG1 VAL 15 2HG1 VAL 15 -5.613 4.819 -32.460 129 3HG1 VAL 15 3HG1 VAL 15 -4.833 3.334 -31.872 130 1HG2 VAL 15 1HG2 VAL 15 -5.123 4.196 -28.235 131 2HG2 VAL 15 2HG2 VAL 15 -6.214 3.189 -29.169 132 3HG2 VAL 15 3HG2 VAL 15 -4.461 3.005 -29.381 133 H GLY 16 H GLY 16 -1.836 6.070 -29.042 134 1HA GLY 16 1HA GLY 16 -1.218 7.342 -27.241 135 2HA GLY 16 2HA GLY 16 -2.789 8.149 -27.271 136 H PHE 17 H PHE 17 -2.968 4.668 -27.093 137 HA PHE 17 HA PHE 17 -4.390 4.527 -24.703 138 1HB PHE 17 1HB PHE 17 -4.310 2.644 -26.205 139 2HB PHE 17 2HB PHE 17 -2.565 2.531 -26.065 140 HD1 PHE 17 HD1 PHE 17 -1.492 1.422 -24.120 141 HD2 PHE 17 HD2 PHE 17 -5.763 1.824 -24.391 142 HE1 PHE 17 HE1 PHE 17 -1.762 -0.210 -22.278 143 HE2 PHE 17 HE2 PHE 17 -6.039 0.209 -22.524 144 HZ PHE 17 HZ PHE 17 -4.034 -0.827 -21.480 145 H ARG 18 H ARG 18 -0.798 4.087 -25.107 146 HA ARG 18 HA ARG 18 -0.606 3.722 -22.261 147 1HB ARG 18 1HB ARG 18 1.748 3.562 -22.508 148 2HB ARG 18 2HB ARG 18 0.871 2.513 -23.607 149 1HG ARG 18 1HG ARG 18 1.429 3.989 -25.500 150 2HG ARG 18 2HG ARG 18 2.256 5.122 -24.393 151 1HD ARG 18 1HD ARG 18 3.781 3.353 -23.669 152 2HD ARG 18 2HD ARG 18 2.949 2.158 -24.667 153 HE ARG 18 HE ARG 18 3.629 3.791 -26.604 154 1HH1 ARG 18 1HH2 ARG 18 5.600 2.823 -23.807 155 2HH1 ARG 18 2HH2 ARG 18 7.106 2.868 -24.627 156 1HH2 ARG 18 1HH1 ARG 18 5.654 4.001 -27.703 157 2HH2 ARG 18 2HH1 ARG 18 7.135 3.632 -26.907 158 H TYR 19 H TYR 19 -0.821 6.657 -24.062 159 HA TYR 19 HA TYR 19 0.364 8.250 -21.883 160 1HB TYR 19 1HB TYR 19 0.205 9.158 -24.197 161 2HB TYR 19 2HB TYR 19 -1.552 9.076 -24.102 162 HD1 TYR 19 HD1 TYR 19 -2.823 10.787 -22.970 163 HD2 TYR 19 HD2 TYR 19 1.478 10.665 -22.595 164 HE1 TYR 19 HE1 TYR 19 -2.856 13.014 -21.889 165 HE2 TYR 19 HE2 TYR 19 1.451 12.882 -21.498 166 HH TYR 19 HH TYR 19 0.134 14.659 -20.757 167 H PHE 20 H PHE 20 -2.883 7.156 -23.027 168 HA PHE 20 HA PHE 20 -4.429 8.319 -21.023 169 1HB PHE 20 1HB PHE 20 -5.813 7.428 -22.579 170 2HB PHE 20 2HB PHE 20 -4.787 6.065 -22.918 171 HD1 PHE 20 HD1 PHE 20 -5.122 3.907 -21.852 172 HD2 PHE 20 HD2 PHE 20 -7.358 7.355 -20.541 173 HE1 PHE 20 HE1 PHE 20 -6.566 2.446 -20.471 174 HE2 PHE 20 HE2 PHE 20 -8.820 5.880 -19.185 175 HZ PHE 20 HZ PHE 20 -8.426 3.426 -19.138 176 H VAL 21 H VAL 21 -2.833 5.016 -20.815 177 HA VAL 21 HA VAL 21 -3.852 4.657 -18.238 178 HB VAL 21 HB VAL 21 -2.347 2.955 -17.879 179 1HG1 VAL 21 1HG1 VAL 21 -4.136 2.540 -19.526 180 2HG1 VAL 21 2HG1 VAL 21 -2.983 2.855 -20.841 181 3HG1 VAL 21 3HG1 VAL 21 -2.736 1.485 -19.751 182 1HG2 VAL 21 1HG2 VAL 21 -0.620 3.910 -20.158 183 2HG2 VAL 21 2HG2 VAL 21 -0.175 3.800 -18.449 184 3HG2 VAL 21 3HG2 VAL 21 -0.464 2.326 -19.370 185 H GLN 22 H GLN 22 -0.902 6.529 -19.189 186 HA GLN 22 HA GLN 22 -0.188 6.800 -16.380 187 1HB GLN 22 1HB GLN 22 0.830 8.373 -18.751 188 2HB GLN 22 2HB GLN 22 1.500 8.366 -17.124 189 1HG GLN 22 1HG GLN 22 1.451 6.022 -19.060 190 2HG GLN 22 2HG GLN 22 2.837 6.999 -18.626 191 1HE2 GLN 22 2HE2 GLN 22 4.209 5.435 -17.683 192 2HE2 GLN 22 1HE2 GLN 22 3.700 4.449 -16.316 193 H MET 23 H MET 23 -2.396 8.507 -18.490 194 HA MET 23 HA MET 23 -2.742 10.787 -16.692 195 1HB MET 23 1HB MET 23 -4.920 9.455 -18.354 196 2HB MET 23 2HB MET 23 -4.975 11.028 -17.585 197 1HG MET 23 1HG MET 23 -3.057 11.731 -19.090 198 2HG MET 23 2HG MET 23 -3.323 10.236 -19.993 199 1HE MET 23 1HE MET 23 -5.713 9.858 -21.592 200 2HE MET 23 2HE MET 23 -6.380 9.755 -19.940 201 3HE MET 23 3HE MET 23 -7.139 10.804 -21.155 202 H GLU 24 H GLU 24 -4.279 7.530 -16.953 203 HA GLU 24 HA GLU 24 -5.949 7.876 -14.677 204 1HB GLU 24 1HB GLU 24 -4.935 5.325 -15.996 205 2HB GLU 24 2HB GLU 24 -6.239 5.409 -14.816 206 1HG GLU 24 1HG GLU 24 -6.291 6.782 -17.557 207 2HG GLU 24 2HG GLU 24 -7.045 5.243 -17.150 208 H ALA 25 H ALA 25 -2.621 6.698 -15.009 209 HA ALA 25 HA ALA 25 -2.185 5.795 -12.362 210 1HB ALA 25 1HB ALA 25 -0.204 7.219 -14.208 211 2HB ALA 25 2HB ALA 25 0.195 6.176 -12.854 212 3HB ALA 25 3HB ALA 25 -0.593 5.482 -14.287 213 H ASP 26 H ASP 26 -1.678 9.059 -13.837 214 HA ASP 26 HA ASP 26 -0.893 10.358 -11.426 215 1HB ASP 26 1HB ASP 26 -0.522 11.361 -13.612 216 2HB ASP 26 2HB ASP 26 -2.251 11.461 -13.919 217 H LYS 27 H LYS 27 -4.118 9.980 -12.931 218 HA LYS 27 HA LYS 27 -5.637 11.397 -11.030 219 1HB LYS 27 1HB LYS 27 -6.507 10.804 -13.158 220 2HB LYS 27 2HB LYS 27 -6.245 9.093 -12.902 221 1HG LYS 27 1HG LYS 27 -8.155 10.546 -11.075 222 2HG LYS 27 2HG LYS 27 -8.654 10.221 -12.723 223 1HD LYS 27 1HD LYS 27 -7.634 8.032 -10.873 224 2HD LYS 27 2HD LYS 27 -9.336 8.466 -10.998 225 1HE LYS 27 1HE LYS 27 -7.574 7.481 -13.285 226 2HE LYS 27 2HE LYS 27 -8.640 6.460 -12.330 227 1HZ LYS 27 1HZ LYS 27 -9.571 8.730 -13.990 228 2HZ LYS 27 2HZ LYS 27 -9.622 7.167 -14.428 229 3HZ LYS 27 3HZ LYS 27 -10.537 7.688 -13.158 230 H ARG 28 H ARG 28 -4.046 8.291 -10.630 231 HA ARG 28 HA ARG 28 -5.358 8.065 -7.954 232 1HB ARG 28 1HB ARG 28 -5.562 6.217 -10.060 233 2HB ARG 28 2HB ARG 28 -4.224 5.591 -9.125 234 1HG ARG 28 1HG ARG 28 -6.032 4.523 -8.195 235 2HG ARG 28 2HG ARG 28 -5.809 5.848 -7.055 236 1HD ARG 28 1HD ARG 28 -7.893 5.616 -9.278 237 2HD ARG 28 2HD ARG 28 -8.170 5.458 -7.541 238 HE ARG 28 HE ARG 28 -7.072 8.027 -8.533 239 1HH1 ARG 28 1HH2 ARG 28 -9.985 6.355 -7.361 240 2HH1 ARG 28 2HH2 ARG 28 -10.859 7.820 -7.110 241 1HH2 ARG 28 1HH1 ARG 28 -8.176 9.888 -8.242 242 2HH2 ARG 28 2HH1 ARG 28 -9.793 9.910 -7.610 243 H LYS 29 H LYS 29 -2.793 9.390 -9.040 244 HA LYS 29 HA LYS 29 -0.661 9.688 -8.460 245 1HB LYS 29 1HB LYS 29 -1.970 9.355 -5.730 246 2HB LYS 29 2HB LYS 29 -0.303 9.877 -5.949 247 1HG LYS 29 1HG LYS 29 -1.388 11.887 -5.752 248 2HG LYS 29 2HG LYS 29 -1.149 11.713 -7.484 249 1HD LYS 29 1HD LYS 29 -3.624 10.895 -7.574 250 2HD LYS 29 2HD LYS 29 -3.719 11.343 -5.878 251 1HE LYS 29 1HE LYS 29 -4.619 13.114 -7.261 252 2HE LYS 29 2HE LYS 29 -3.146 13.691 -6.475 253 1HZ LYS 29 1HZ LYS 29 -3.185 12.635 -9.250 254 2HZ LYS 29 2HZ LYS 29 -3.355 14.233 -8.891 255 3HZ LYS 29 3HZ LYS 29 -1.972 13.452 -8.525 256 H LEU 30 H LEU 30 -0.969 7.179 -9.454 257 HA LEU 30 HA LEU 30 0.811 5.365 -7.933 258 1HB LEU 30 1HB LEU 30 -0.189 5.292 -10.813 259 2HB LEU 30 2HB LEU 30 0.756 4.034 -10.017 260 HG LEU 30 HG LEU 30 -2.100 4.871 -9.393 261 1HD1 LEU 30 1HD1 LEU 30 -2.588 2.548 -10.091 262 2HD1 LEU 30 2HD1 LEU 30 -1.807 3.474 -11.387 263 3HD1 LEU 30 3HD1 LEU 30 -0.864 2.303 -10.453 264 1HD2 LEU 30 1HD2 LEU 30 -0.336 2.852 -7.964 265 2HD2 LEU 30 2HD2 LEU 30 -1.107 4.296 -7.254 266 3HD2 LEU 30 3HD2 LEU 30 -2.102 2.935 -7.785 267 H ALA 31 H ALA 31 2.924 4.765 -8.979 268 HA ALA 31 HA ALA 31 4.089 6.790 -10.806 269 1HB ALA 31 1HB ALA 31 6.123 6.901 -9.365 270 2HB ALA 31 2HB ALA 31 4.703 7.592 -8.557 271 3HB ALA 31 3HB ALA 31 5.284 5.969 -8.112 272 H GLY 32 H GLY 32 5.344 5.745 -12.358 273 1HA GLY 32 1HA GLY 32 6.696 3.268 -12.116 274 2HA GLY 32 2HA GLY 32 5.013 2.963 -12.578 275 H TRP 33 H TRP 33 6.042 2.058 -14.571 276 HA TRP 33 HA TRP 33 6.194 4.229 -16.570 277 1HB TRP 33 1HB TRP 33 8.057 3.119 -17.728 278 2HB TRP 33 2HB TRP 33 8.481 3.739 -16.147 279 HD1 TRP 33 HD1 TRP 33 8.071 0.448 -18.030 280 HE1 TRP 33 HE1 TRP 33 9.266 -1.413 -16.762 281 HE3 TRP 33 HE3 TRP 33 9.124 2.986 -13.710 282 HZ2 TRP 33 HZ2 TRP 33 10.636 -1.732 -14.213 283 HZ3 TRP 33 HZ3 TRP 33 10.370 1.875 -11.877 284 HH2 TRP 33 HH2 TRP 33 11.153 -0.468 -12.134 285 H VAL 34 H VAL 34 5.812 3.524 -18.793 286 HA VAL 34 HA VAL 34 4.514 0.854 -19.071 287 HB VAL 34 HB VAL 34 2.754 2.521 -18.744 288 1HG1 VAL 34 1HG1 VAL 34 3.764 3.871 -21.267 289 2HG1 VAL 34 2HG1 VAL 34 2.303 4.276 -20.343 290 3HG1 VAL 34 3HG1 VAL 34 3.895 4.524 -19.630 291 1HG2 VAL 34 1HG2 VAL 34 2.352 0.570 -20.208 292 2HG2 VAL 34 2HG2 VAL 34 1.395 1.974 -20.685 293 3HG2 VAL 34 3HG2 VAL 34 2.828 1.522 -21.623 294 H LYS 35 H LYS 35 4.785 -0.175 -20.998 295 HA LYS 35 HA LYS 35 6.879 0.849 -22.855 296 1HB LYS 35 1HB LYS 35 7.914 -0.114 -20.808 297 2HB LYS 35 2HB LYS 35 6.908 -1.552 -20.999 298 1HG LYS 35 1HG LYS 35 8.116 -2.054 -23.136 299 2HG LYS 35 2HG LYS 35 9.149 -0.646 -22.855 300 1HD LYS 35 1HD LYS 35 10.283 -2.699 -22.163 301 2HD LYS 35 2HD LYS 35 9.941 -1.710 -20.729 302 1HE LYS 35 1HE LYS 35 7.920 -3.102 -20.267 303 2HE LYS 35 2HE LYS 35 8.238 -4.061 -21.714 304 1HZ LYS 35 1HZ LYS 35 8.927 -5.078 -19.643 305 2HZ LYS 35 2HZ LYS 35 10.215 -4.910 -20.662 306 3HZ LYS 35 3HZ LYS 35 10.043 -3.911 -19.369 307 H ASN 36 H ASN 36 6.988 -0.525 -24.793 308 HA ASN 36 HA ASN 36 4.614 -2.300 -25.185 309 1HB ASN 36 1HB ASN 36 5.522 -0.560 -27.006 310 2HB ASN 36 2HB ASN 36 6.615 -1.896 -27.389 311 1HD2 ASN 36 2HD2 ASN 36 5.285 -4.236 -27.505 312 2HD2 ASN 36 1HD2 ASN 36 3.681 -4.075 -28.189 313 H ARG 37 H ARG 37 4.935 -4.481 -24.783 314 HA ARG 37 HA ARG 37 7.641 -5.374 -24.070 315 1HB ARG 37 1HB ARG 37 5.531 -6.006 -22.831 316 2HB ARG 37 2HB ARG 37 5.012 -6.933 -24.241 317 1HG ARG 37 1HG ARG 37 6.851 -8.479 -23.988 318 2HG ARG 37 2HG ARG 37 7.619 -7.463 -22.747 319 1HD ARG 37 1HD ARG 37 5.844 -7.878 -21.178 320 2HD ARG 37 2HD ARG 37 4.848 -8.668 -22.410 321 HE ARG 37 HE ARG 37 6.835 -10.331 -22.534 322 1HH1 ARG 37 1HH2 ARG 37 5.804 -8.847 -19.417 323 2HH1 ARG 37 2HH2 ARG 37 5.947 -10.339 -18.568 324 1HH2 ARG 37 1HH1 ARG 37 7.160 -12.213 -21.306 325 2HH2 ARG 37 2HH1 ARG 37 6.828 -12.236 -19.620 326 H ASP 38 H ASP 38 8.708 -7.100 -25.228 327 HA ASP 38 HA ASP 38 8.822 -6.717 -28.007 328 1HB ASP 38 1HB ASP 38 10.689 -7.535 -26.655 329 2HB ASP 38 2HB ASP 38 9.814 -9.025 -26.294 330 H ASP 39 H ASP 39 6.855 -8.954 -26.144 331 HA ASP 39 HA ASP 39 6.092 -10.816 -28.138 332 1HB ASP 39 1HB ASP 39 5.600 -11.140 -25.780 333 2HB ASP 39 2HB ASP 39 4.624 -9.671 -25.733 334 H GLY 40 H GLY 40 5.153 -7.447 -27.659 335 1HA GLY 40 1HA GLY 40 4.286 -6.276 -29.609 336 2HA GLY 40 2HA GLY 40 3.164 -7.619 -29.887 337 H ARG 41 H ARG 41 2.582 -7.984 -26.996 338 HA ARG 41 HA ARG 41 0.519 -5.987 -26.657 339 1HB ARG 41 1HB ARG 41 -0.115 -7.215 -24.747 340 2HB ARG 41 2HB ARG 41 0.363 -8.371 -25.959 341 1HG ARG 41 1HG ARG 41 2.597 -8.569 -24.724 342 2HG ARG 41 2HG ARG 41 1.882 -7.581 -23.434 343 1HD ARG 41 1HD ARG 41 0.726 -10.198 -24.485 344 2HD ARG 41 2HD ARG 41 1.694 -10.039 -23.020 345 HE ARG 41 HE ARG 41 -0.109 -8.382 -22.268 346 1HH1 ARG 41 1HH1 ARG 41 -1.000 -11.134 -24.386 347 2HH1 ARG 41 2HH1 ARG 41 -2.567 -11.292 -23.612 348 1HH2 ARG 41 1HH2 ARG 41 -2.160 -8.882 -21.182 349 2HH2 ARG 41 2HH2 ARG 41 -3.180 -10.079 -21.963 350 H VAL 42 H VAL 42 0.368 -4.711 -24.498 351 HA VAL 42 HA VAL 42 2.950 -3.262 -24.149 352 HB VAL 42 HB VAL 42 0.036 -2.478 -24.004 353 1HG1 VAL 42 1HG1 VAL 42 2.287 -0.809 -22.803 354 2HG1 VAL 42 2HG1 VAL 42 0.633 -0.260 -23.124 355 3HG1 VAL 42 3HG1 VAL 42 0.918 -1.517 -21.918 356 1HG2 VAL 42 1HG2 VAL 42 1.316 -2.262 -26.131 357 2HG2 VAL 42 2HG2 VAL 42 0.868 -0.677 -25.487 358 3HG2 VAL 42 3HG2 VAL 42 2.525 -1.263 -25.297 359 H GLU 43 H GLU 43 3.505 -2.614 -21.982 360 HA GLU 43 HA GLU 43 2.522 -4.397 -19.844 361 1HB GLU 43 1HB GLU 43 4.501 -5.439 -20.838 362 2HB GLU 43 2HB GLU 43 5.422 -3.941 -20.683 363 1HG GLU 43 1HG GLU 43 5.441 -4.103 -18.274 364 2HG GLU 43 2HG GLU 43 4.222 -5.387 -18.284 365 H ILE 44 H ILE 44 2.529 -3.402 -17.833 366 HA ILE 44 HA ILE 44 3.374 -0.567 -17.630 367 HB ILE 44 HB ILE 44 0.867 -1.583 -16.327 368 1HG1 ILE 44 1HG1 ILE 44 0.772 -0.630 -19.209 369 2HG1 ILE 44 2HG1 ILE 44 0.388 -2.250 -18.626 370 1HG2 ILE 44 1HG2 ILE 44 0.261 0.718 -16.233 371 2HG2 ILE 44 2HG2 ILE 44 1.983 0.687 -15.883 372 3HG2 ILE 44 3HG2 ILE 44 1.425 1.163 -17.495 373 1HD1 ILE 44 1HD1 ILE 44 -1.482 -1.312 -17.270 374 2HD1 ILE 44 2HD1 ILE 44 -1.176 0.279 -18.009 375 3HD1 ILE 44 3HD1 ILE 44 -1.669 -1.083 -19.019 376 H LEU 45 H LEU 45 4.254 -0.150 -15.528 377 HA LEU 45 HA LEU 45 3.978 -2.229 -13.426 378 1HB LEU 45 1HB LEU 45 5.833 -2.914 -14.923 379 2HB LEU 45 2HB LEU 45 6.637 -1.370 -14.664 380 HG LEU 45 HG LEU 45 6.016 -3.371 -12.437 381 1HD1 LEU 45 1HD1 LEU 45 8.564 -2.987 -14.054 382 2HD1 LEU 45 2HD1 LEU 45 8.386 -4.043 -12.633 383 3HD1 LEU 45 3HD1 LEU 45 7.482 -4.393 -14.110 384 1HD2 LEU 45 1HD2 LEU 45 6.451 -1.293 -11.371 385 2HD2 LEU 45 2HD2 LEU 45 8.013 -2.093 -11.389 386 3HD2 LEU 45 3HD2 LEU 45 7.663 -0.817 -12.581 387 H ALA 46 H ALA 46 3.534 -1.058 -11.565 388 HA ALA 46 HA ALA 46 4.867 1.495 -11.073 389 1HB ALA 46 1HB ALA 46 2.825 2.068 -12.517 390 2HB ALA 46 2HB ALA 46 1.823 1.352 -11.227 391 3HB ALA 46 3HB ALA 46 2.786 2.782 -10.895 392 H GLU 47 H GLU 47 4.359 2.347 -8.953 393 HA GLU 47 HA GLU 47 3.548 0.262 -7.017 394 1HB GLU 47 1HB GLU 47 4.903 1.295 -5.390 395 2HB GLU 47 2HB GLU 47 5.856 0.908 -6.817 396 1HG GLU 47 1HG GLU 47 5.721 3.329 -7.502 397 2HG GLU 47 2HG GLU 47 4.821 3.674 -6.017 398 H GLY 48 H GLY 48 2.232 0.957 -5.183 399 1HA GLY 48 1HA GLY 48 1.254 3.460 -4.584 400 2HA GLY 48 2HA GLY 48 0.145 2.841 -5.811 401 HA PRO 49 HA PRO 49 -0.985 0.901 -1.688 402 1HB PRO 49 1HB PRO 49 -3.379 2.147 -1.185 403 2HB PRO 49 2HB PRO 49 -1.799 2.769 -0.622 404 1HG PRO 49 1HG PRO 49 -3.398 3.626 -3.026 405 2HG PRO 49 2HG PRO 49 -2.539 4.654 -1.844 406 1HD PRO 49 1HD PRO 49 -1.479 3.973 -4.306 407 2HD PRO 49 2HD PRO 49 -0.464 4.267 -2.863 408 H GLU 50 H GLU 50 -2.615 -0.749 -1.516 409 HA GLU 50 HA GLU 50 -3.041 -2.111 -3.890 410 1HB GLU 50 1HB GLU 50 -3.008 -3.084 -1.607 411 2HB GLU 50 2HB GLU 50 -4.593 -2.376 -1.281 412 1HG GLU 50 1HG GLU 50 -5.561 -3.746 -3.140 413 2HG GLU 50 2HG GLU 50 -3.967 -4.439 -3.444 414 H ASN 51 H ASN 51 -5.416 -0.049 -2.137 415 HA ASN 51 HA ASN 51 -7.619 -0.597 -3.856 416 1HB ASN 51 1HB ASN 51 -7.912 0.488 -1.675 417 2HB ASN 51 2HB ASN 51 -6.989 1.895 -2.215 418 1HD2 ASN 51 2HD2 ASN 51 -8.183 3.590 -3.141 419 2HD2 ASN 51 1HD2 ASN 51 -9.808 3.421 -3.746 420 H ALA 52 H ALA 52 -4.975 1.805 -4.134 421 HA ALA 52 HA ALA 52 -6.193 3.232 -6.339 422 1HB ALA 52 1HB ALA 52 -3.906 4.212 -6.593 423 2HB ALA 52 2HB ALA 52 -4.504 4.322 -4.930 424 3HB ALA 52 3HB ALA 52 -3.297 3.083 -5.372 425 H LEU 53 H LEU 53 -3.712 0.670 -6.004 426 HA LEU 53 HA LEU 53 -3.100 0.370 -8.758 427 1HB LEU 53 1HB LEU 53 -3.064 -1.614 -6.454 428 2HB LEU 53 2HB LEU 53 -2.382 -1.966 -8.033 429 HG LEU 53 HG LEU 53 -1.441 0.324 -6.251 430 1HD1 LEU 53 1HD1 LEU 53 -0.314 -2.486 -6.636 431 2HD1 LEU 53 2HD1 LEU 53 0.482 -1.157 -5.761 432 3HD1 LEU 53 3HD1 LEU 53 -1.042 -1.815 -5.157 433 1HD2 LEU 53 1HD2 LEU 53 -0.886 0.542 -8.721 434 2HD2 LEU 53 2HD2 LEU 53 0.497 0.478 -7.629 435 3HD2 LEU 53 3HD2 LEU 53 0.063 -0.955 -8.552 436 H GLN 54 H GLN 54 -5.564 -1.285 -6.746 437 HA GLN 54 HA GLN 54 -6.565 -2.842 -8.910 438 1HB GLN 54 1HB GLN 54 -7.684 -2.064 -6.193 439 2HB GLN 54 2HB GLN 54 -8.617 -3.045 -7.322 440 1HG GLN 54 1HG GLN 54 -5.820 -3.788 -6.343 441 2HG GLN 54 2HG GLN 54 -7.317 -4.392 -5.641 442 1HE2 GLN 54 2HE2 GLN 54 -4.894 -5.273 -7.788 443 2HE2 GLN 54 1HE2 GLN 54 -5.829 -6.342 -8.816 444 H SER 55 H SER 55 -7.600 0.345 -7.659 445 HA SER 55 HA SER 55 -9.885 0.620 -9.347 446 1HB SER 55 1HB SER 55 -8.000 2.791 -8.327 447 2HB SER 55 2HB SER 55 -9.636 3.037 -8.964 448 HG SER 55 HG SER 55 -8.838 1.661 -6.609 449 H PHE 56 H PHE 56 -6.431 1.459 -9.881 450 HA PHE 56 HA PHE 56 -6.678 2.423 -12.527 451 1HB PHE 56 1HB PHE 56 -4.707 2.772 -11.192 452 2HB PHE 56 2HB PHE 56 -4.416 1.049 -11.033 453 HD1 PHE 56 HD1 PHE 56 -3.839 3.990 -13.077 454 HD2 PHE 56 HD2 PHE 56 -3.766 -0.335 -13.053 455 HE1 PHE 56 HE1 PHE 56 -2.361 3.974 -15.048 456 HE2 PHE 56 HE2 PHE 56 -2.368 -0.312 -15.100 457 HZ PHE 56 HZ PHE 56 -1.666 1.846 -16.100 458 H VAL 57 H VAL 57 -6.034 -0.992 -11.350 459 HA VAL 57 HA VAL 57 -5.892 -2.120 -13.918 460 HB VAL 57 HB VAL 57 -6.802 -3.241 -11.235 461 1HG1 VAL 57 1HG1 VAL 57 -7.917 -4.672 -12.861 462 2HG1 VAL 57 2HG1 VAL 57 -6.421 -4.828 -13.806 463 3HG1 VAL 57 3HG1 VAL 57 -6.539 -5.529 -12.174 464 1HG2 VAL 57 1HG2 VAL 57 -4.654 -4.279 -11.143 465 2HG2 VAL 57 2HG2 VAL 57 -4.325 -3.925 -12.849 466 3HG2 VAL 57 3HG2 VAL 57 -4.342 -2.617 -11.655 467 H GLU 58 H GLU 58 -8.855 -1.469 -11.931 468 HA GLU 58 HA GLU 58 -10.653 -2.608 -13.814 469 1HB GLU 58 1HB GLU 58 -11.021 -0.399 -11.749 470 2HB GLU 58 2HB GLU 58 -12.347 -1.073 -12.691 471 1HG GLU 58 1HG GLU 58 -10.551 -2.718 -10.859 472 2HG GLU 58 2HG GLU 58 -12.093 -2.026 -10.384 473 H ALA 59 H ALA 59 -9.321 0.680 -13.520 474 HA ALA 59 HA ALA 59 -10.823 1.890 -15.618 475 1HB ALA 59 1HB ALA 59 -9.107 3.617 -15.575 476 2HB ALA 59 2HB ALA 59 -9.508 3.135 -13.910 477 3HB ALA 59 3HB ALA 59 -8.005 2.578 -14.661 478 H VAL 60 H VAL 60 -7.645 0.154 -15.719 479 HA VAL 60 HA VAL 60 -7.304 0.532 -18.550 480 HB VAL 60 HB VAL 60 -6.199 -1.773 -16.879 481 1HG1 VAL 60 1HG1 VAL 60 -5.982 -2.126 -19.302 482 2HG1 VAL 60 2HG1 VAL 60 -5.299 -0.496 -19.500 483 3HG1 VAL 60 3HG1 VAL 60 -4.401 -1.741 -18.607 484 1HG2 VAL 60 1HG2 VAL 60 -5.373 0.188 -15.786 485 2HG2 VAL 60 2HG2 VAL 60 -4.088 -0.375 -16.820 486 3HG2 VAL 60 3HG2 VAL 60 -5.065 1.022 -17.329 487 H LYS 61 H LYS 61 -8.632 -2.233 -16.627 488 HA LYS 61 HA LYS 61 -9.164 -3.940 -18.777 489 1HB LYS 61 1HB LYS 61 -9.172 -4.566 -16.387 490 2HB LYS 61 2HB LYS 61 -10.664 -3.650 -16.136 491 1HG LYS 61 1HG LYS 61 -11.888 -5.162 -17.636 492 2HG LYS 61 2HG LYS 61 -10.388 -6.024 -18.033 493 1HD LYS 61 1HD LYS 61 -10.175 -6.770 -15.682 494 2HD LYS 61 2HD LYS 61 -11.580 -5.800 -15.234 495 1HE LYS 61 1HE LYS 61 -12.305 -8.070 -15.393 496 2HE LYS 61 2HE LYS 61 -13.022 -7.169 -16.729 497 1HZ LYS 61 1HZ LYS 61 -10.654 -8.946 -16.941 498 2HZ LYS 61 2HZ LYS 61 -12.160 -9.317 -17.427 499 3HZ LYS 61 3HZ LYS 61 -11.342 -8.140 -18.195 500 H ASN 62 H ASN 62 -11.269 -1.390 -17.378 501 HA ASN 62 HA ASN 62 -13.490 -1.991 -19.104 502 1HB ASN 62 1HB ASN 62 -13.638 -0.817 -16.892 503 2HB ASN 62 2HB ASN 62 -12.847 0.584 -17.615 504 1HD2 ASN 62 2HD2 ASN 62 -14.308 2.147 -18.246 505 2HD2 ASN 62 1HD2 ASN 62 -15.960 1.838 -18.761 506 H GLY 63 H GLY 63 -10.505 -0.234 -19.681 507 1HA GLY 63 1HA GLY 63 -9.788 1.172 -21.307 508 2HA GLY 63 2HA GLY 63 -10.868 0.266 -22.386 509 H SER 64 H SER 64 -11.635 2.422 -19.617 510 HA SER 64 HA SER 64 -14.079 2.954 -20.381 511 1HB SER 64 1HB SER 64 -12.418 5.015 -18.898 512 2HB SER 64 2HB SER 64 -14.149 4.691 -18.735 513 HG SER 64 HG SER 64 -12.711 3.717 -17.124 514 HA PRO 65 HA PRO 65 -13.554 7.044 -22.637 515 1HB PRO 65 1HB PRO 65 -11.153 7.920 -23.642 516 2HB PRO 65 2HB PRO 65 -11.745 8.278 -21.999 517 1HG PRO 65 1HG PRO 65 -9.817 6.092 -22.835 518 2HG PRO 65 2HG PRO 65 -9.665 7.265 -21.489 519 1HD PRO 65 1HD PRO 65 -10.595 4.747 -21.034 520 2HD PRO 65 2HD PRO 65 -11.292 6.150 -20.195 521 H PHE 66 H PHE 66 -11.043 4.785 -23.996 522 HA PHE 66 HA PHE 66 -12.675 4.113 -26.293 523 1HB PHE 66 1HB PHE 66 -11.123 5.152 -27.989 524 2HB PHE 66 2HB PHE 66 -12.080 6.294 -27.101 525 HD1 PHE 66 HD1 PHE 66 -8.602 4.786 -27.170 526 HD2 PHE 66 HD2 PHE 66 -11.072 8.143 -26.040 527 HE1 PHE 66 HE1 PHE 66 -6.585 6.067 -26.565 528 HE2 PHE 66 HE2 PHE 66 -9.038 9.416 -25.418 529 HZ PHE 66 HZ PHE 66 -6.788 8.381 -25.671 530 H SER 67 H SER 67 -10.561 3.058 -24.090 531 HA SER 67 HA SER 67 -8.397 3.916 -25.165 532 1HB SER 67 1HB SER 67 -8.134 1.728 -23.169 533 2HB SER 67 2HB SER 67 -7.210 3.227 -23.426 534 HG SER 67 HG SER 67 -8.591 3.717 -21.823 535 H LYS 68 H LYS 68 -7.379 0.244 -26.678 536 HA LYS 68 HA LYS 68 -8.914 0.106 -24.231 537 1HB LYS 68 1HB LYS 68 -10.765 -1.257 -25.289 538 2HB LYS 68 2HB LYS 68 -10.862 0.462 -25.471 539 1HG LYS 68 1HG LYS 68 -11.571 -0.415 -27.487 540 2HG LYS 68 2HG LYS 68 -9.975 0.239 -27.828 541 1HD LYS 68 1HD LYS 68 -9.000 -1.975 -27.876 542 2HD LYS 68 2HD LYS 68 -10.485 -2.722 -27.275 543 1HE LYS 68 1HE LYS 68 -10.200 -1.236 -29.933 544 2HE LYS 68 2HE LYS 68 -10.057 -2.986 -29.751 545 1HZ LYS 68 1HZ LYS 68 -12.356 -3.040 -28.973 546 2HZ LYS 68 2HZ LYS 68 -12.503 -1.420 -29.163 547 3HZ LYS 68 3HZ LYS 68 -12.266 -2.377 -30.456 548 H VAL 69 H VAL 69 -9.213 -2.229 -23.627 549 HA VAL 69 HA VAL 69 -7.057 -3.896 -24.834 550 HB VAL 69 HB VAL 69 -6.863 -5.039 -22.738 551 1HG1 VAL 69 1HG1 VAL 69 -5.526 -2.985 -23.140 552 2HG1 VAL 69 2HG1 VAL 69 -6.738 -2.037 -22.247 553 3HG1 VAL 69 3HG1 VAL 69 -5.815 -3.301 -21.421 554 1HG2 VAL 69 1HG2 VAL 69 -9.148 -4.864 -21.826 555 2HG2 VAL 69 2HG2 VAL 69 -7.942 -4.291 -20.673 556 3HG2 VAL 69 3HG2 VAL 69 -8.926 -3.119 -21.573 557 H THR 70 H THR 70 -7.492 -6.130 -25.112 558 HA THR 70 HA THR 70 -10.321 -7.012 -24.865 559 HB THR 70 HB THR 70 -9.863 -8.421 -26.922 560 HG1 THR 70 HG1 THR 70 -7.670 -8.287 -27.145 561 1HG2 THR 70 1HG2 THR 70 -9.742 -5.405 -27.381 562 2HG2 THR 70 2HG2 THR 70 -10.325 -6.640 -28.516 563 3HG2 THR 70 3HG2 THR 70 -11.217 -6.329 -27.018 564 H ASP 71 H ASP 71 -6.995 -7.478 -24.007 565 HA ASP 71 HA ASP 71 -7.784 -9.790 -22.398 566 1HB ASP 71 1HB ASP 71 -6.904 -10.894 -24.408 567 2HB ASP 71 2HB ASP 71 -5.474 -9.859 -24.386 568 H ILE 72 H ILE 72 -6.512 -9.885 -20.489 569 HA ILE 72 HA ILE 72 -4.388 -7.917 -20.060 570 HB ILE 72 HB ILE 72 -6.321 -6.560 -19.673 571 1HG1 ILE 72 1HG1 ILE 72 -5.396 -7.422 -16.906 572 2HG1 ILE 72 2HG1 ILE 72 -4.366 -6.531 -18.017 573 1HG2 ILE 72 1HG2 ILE 72 -7.426 -8.662 -17.768 574 2HG2 ILE 72 2HG2 ILE 72 -8.120 -7.060 -18.081 575 3HG2 ILE 72 3HG2 ILE 72 -8.082 -8.253 -19.370 576 1HD1 ILE 72 1HD1 ILE 72 -5.353 -4.963 -16.487 577 2HD1 ILE 72 2HD1 ILE 72 -6.084 -4.687 -18.080 578 3HD1 ILE 72 3HD1 ILE 72 -6.985 -5.555 -16.814 579 H SER 73 H SER 73 -3.017 -8.540 -18.411 580 HA SER 73 HA SER 73 -3.769 -10.764 -16.611 581 1HB SER 73 1HB SER 73 -1.148 -10.597 -18.164 582 2HB SER 73 2HB SER 73 -1.611 -11.856 -17.010 583 HG SER 73 HG SER 73 -3.282 -12.455 -18.467 584 H VAL 74 H VAL 74 -2.724 -10.541 -14.570 585 HA VAL 74 HA VAL 74 -1.223 -8.028 -14.081 586 HB VAL 74 HB VAL 74 -3.756 -8.910 -12.620 587 1HG1 VAL 74 1HG1 VAL 74 -2.018 -6.426 -12.287 588 2HG1 VAL 74 2HG1 VAL 74 -3.624 -6.642 -11.558 589 3HG1 VAL 74 3HG1 VAL 74 -2.301 -7.711 -11.102 590 1HG2 VAL 74 1HG2 VAL 74 -3.403 -6.686 -14.665 591 2HG2 VAL 74 2HG2 VAL 74 -4.479 -8.095 -14.757 592 3HG2 VAL 74 3HG2 VAL 74 -4.797 -6.834 -13.573 593 H THR 75 H THR 75 0.180 -8.177 -12.379 594 HA THR 75 HA THR 75 0.036 -10.428 -10.470 595 HB THR 75 HB THR 75 2.620 -9.367 -11.710 596 HG1 THR 75 HG1 THR 75 1.466 -10.552 -13.239 597 1HG2 THR 75 1HG2 THR 75 3.631 -11.409 -10.693 598 2HG2 THR 75 2HG2 THR 75 2.973 -10.310 -9.478 599 3HG2 THR 75 3HG2 THR 75 2.072 -11.779 -9.919 600 H GLU 76 H GLU 76 0.810 -9.669 -8.326 601 HA GLU 76 HA GLU 76 1.417 -6.791 -8.095 602 1HB GLU 76 1HB GLU 76 -0.781 -8.230 -6.555 603 2HB GLU 76 2HB GLU 76 -0.150 -6.627 -6.160 604 1HG GLU 76 1HG GLU 76 -0.894 -5.774 -8.362 605 2HG GLU 76 2HG GLU 76 -1.585 -7.355 -8.746 606 H SER 77 H SER 77 2.606 -6.303 -6.222 607 HA SER 77 HA SER 77 3.616 -8.496 -4.510 608 1HB SER 77 1HB SER 77 5.383 -6.722 -6.267 609 2HB SER 77 2HB SER 77 5.943 -7.940 -5.110 610 HG SER 77 HG SER 77 5.956 -8.701 -7.271 611 H ARG 78 H ARG 78 4.948 -7.565 -2.705 612 HA ARG 78 HA ARG 78 4.166 -4.796 -1.972 613 1HB ARG 78 1HB ARG 78 5.588 -7.066 -0.545 614 2HB ARG 78 2HB ARG 78 5.754 -5.410 0.022 615 1HG ARG 78 1HG ARG 78 4.008 -6.470 1.268 616 2HG ARG 78 2HG ARG 78 3.336 -5.168 0.283 617 1HD ARG 78 1HD ARG 78 2.482 -6.821 -1.341 618 2HD ARG 78 2HD ARG 78 3.196 -8.139 -0.386 619 HE ARG 78 HE ARG 78 1.583 -6.716 1.377 620 1HH1 ARG 78 1HH2 ARG 78 1.075 -8.574 -1.608 621 2HH1 ARG 78 2HH2 ARG 78 -0.562 -8.972 -1.249 622 1HH2 ARG 78 1HH1 ARG 78 -0.598 -7.260 1.863 623 2HH2 ARG 78 2HH1 ARG 78 -1.529 -8.210 0.771 624 H SER 79 H SER 79 6.713 -6.343 -3.706 625 HA SER 79 HA SER 79 8.934 -4.827 -3.070 626 1HB SER 79 1HB SER 79 8.278 -6.012 -5.791 627 2HB SER 79 2HB SER 79 9.872 -5.798 -5.041 628 HG SER 79 HG SER 79 9.146 -7.947 -4.843 629 H LEU 80 H LEU 80 8.289 -2.606 -2.854 630 HA LEU 80 HA LEU 80 7.332 -0.996 -4.996 631 1HB LEU 80 1HB LEU 80 9.232 -0.104 -2.787 632 2HB LEU 80 2HB LEU 80 8.144 0.903 -3.736 633 HG LEU 80 HG LEU 80 7.401 -1.133 -1.603 634 1HD1 LEU 80 1HD1 LEU 80 6.474 0.822 -0.442 635 2HD1 LEU 80 2HD1 LEU 80 8.191 1.057 -0.798 636 3HD1 LEU 80 3HD1 LEU 80 6.966 1.877 -1.788 637 1HD2 LEU 80 1HD2 LEU 80 5.713 -1.298 -3.400 638 2HD2 LEU 80 2HD2 LEU 80 5.056 -0.522 -1.978 639 3HD2 LEU 80 3HD2 LEU 80 5.513 0.466 -3.382 640 H GLU 81 H GLU 81 8.389 0.304 -6.506 641 HA GLU 81 HA GLU 81 11.063 -0.522 -7.367 642 1HB GLU 81 1HB GLU 81 9.171 1.642 -8.401 643 2HB GLU 81 2HB GLU 81 10.606 1.039 -9.225 644 1HG GLU 81 1HG GLU 81 7.993 -0.433 -8.671 645 2HG GLU 81 2HG GLU 81 8.669 0.031 -10.226 646 H GLY 82 H GLY 82 9.567 2.168 -5.648 647 1HA GLY 82 1HA GLY 82 10.556 3.929 -4.476 648 2HA GLY 82 2HA GLY 82 12.145 3.552 -5.170 649 H HIS 83 H HIS 83 9.199 3.665 -7.192 650 HA HIS 83 HA HIS 83 10.501 5.722 -8.851 651 1HB HIS 83 1HB HIS 83 9.041 3.564 -9.565 652 2HB HIS 83 2HB HIS 83 7.733 4.732 -9.470 653 HD1 HIS 83 HD1 HIS 83 7.490 6.125 -11.766 654 HD2 HIS 83 HD2 HIS 83 11.262 4.351 -11.136 655 HE1 HIS 83 HE1 HIS 83 8.797 6.469 -13.889 656 H HIS 84 H HIS 84 9.538 7.774 -9.299 657 HA HIS 84 HA HIS 84 7.562 8.759 -7.284 658 1HB HIS 84 1HB HIS 84 10.352 9.773 -7.936 659 2HB HIS 84 2HB HIS 84 9.142 10.808 -7.200 660 HD1 HIS 84 HD1 HIS 84 11.078 7.551 -6.245 661 HD2 HIS 84 HD2 HIS 84 8.692 10.647 -4.657 662 HE1 HIS 84 HE1 HIS 84 11.208 7.334 -3.729 663 H ARG 85 H ARG 85 7.714 8.259 -10.445 664 HA ARG 85 HA ARG 85 5.982 10.510 -11.078 665 1HB ARG 85 1HB ARG 85 7.202 11.122 -13.132 666 2HB ARG 85 2HB ARG 85 8.124 11.510 -11.691 667 1HG ARG 85 1HG ARG 85 9.646 9.683 -12.009 668 2HG ARG 85 2HG ARG 85 8.632 8.932 -13.245 669 1HD ARG 85 1HD ARG 85 9.959 11.653 -13.549 670 2HD ARG 85 2HD ARG 85 10.630 10.131 -14.165 671 HE ARG 85 HE ARG 85 8.382 9.893 -15.380 672 1HH1 ARG 85 1HH2 ARG 85 10.206 12.932 -15.128 673 2HH1 ARG 85 2HH2 ARG 85 9.328 13.715 -16.391 674 1HH2 ARG 85 1HH1 ARG 85 7.090 10.973 -16.816 675 2HH2 ARG 85 2HH1 ARG 85 7.544 12.521 -17.475 676 H PHE 86 H PHE 86 5.271 10.105 -13.558 677 HA PHE 86 HA PHE 86 5.083 7.174 -14.033 678 1HB PHE 86 1HB PHE 86 3.247 7.707 -15.584 679 2HB PHE 86 2HB PHE 86 2.879 8.009 -13.900 680 HD1 PHE 86 HD1 PHE 86 2.168 10.150 -13.152 681 HD2 PHE 86 HD2 PHE 86 3.751 9.692 -17.138 682 HE1 PHE 86 HE1 PHE 86 1.564 12.508 -13.671 683 HE2 PHE 86 HE2 PHE 86 3.090 12.024 -17.669 684 HZ PHE 86 HZ PHE 86 2.010 13.442 -15.933 685 H SER 87 H SER 87 5.964 6.425 -15.973 686 HA SER 87 HA SER 87 7.174 8.423 -17.838 687 1HB SER 87 1HB SER 87 8.557 6.016 -16.591 688 2HB SER 87 2HB SER 87 9.253 7.118 -17.793 689 HG SER 87 HG SER 87 9.908 7.749 -15.756 690 H ILE 88 H ILE 88 7.938 7.432 -19.894 691 HA ILE 88 HA ILE 88 6.360 5.075 -20.738 692 HB ILE 88 HB ILE 88 6.489 7.710 -22.279 693 1HG1 ILE 88 1HG1 ILE 88 4.220 6.569 -20.593 694 2HG1 ILE 88 2HG1 ILE 88 5.061 8.095 -20.344 695 1HG2 ILE 88 1HG2 ILE 88 4.895 6.613 -23.790 696 2HG2 ILE 88 2HG2 ILE 88 6.320 5.599 -23.619 697 3HG2 ILE 88 3HG2 ILE 88 4.836 5.193 -22.722 698 1HD1 ILE 88 1HD1 ILE 88 3.120 7.442 -22.584 699 2HD1 ILE 88 2HD1 ILE 88 2.914 8.581 -21.250 700 3HD1 ILE 88 3HD1 ILE 88 4.111 8.925 -22.516 701 H VAL 89 H VAL 89 7.719 3.708 -21.842 702 HA VAL 89 HA VAL 89 10.389 4.695 -22.676 703 HB VAL 89 HB VAL 89 10.285 4.222 -20.216 704 1HG1 VAL 89 1HG1 VAL 89 9.951 1.303 -20.995 705 2HG1 VAL 89 2HG1 VAL 89 10.231 1.948 -19.368 706 3HG1 VAL 89 3HG1 VAL 89 8.718 2.313 -20.206 707 1HG2 VAL 89 1HG2 VAL 89 12.414 4.125 -21.465 708 2HG2 VAL 89 2HG2 VAL 89 12.367 3.069 -20.047 709 3HG2 VAL 89 3HG2 VAL 89 12.199 2.367 -21.658 710 H TYR 90 H TYR 90 11.684 2.849 -23.683 711 HA TYR 90 HA TYR 90 10.019 0.773 -24.956 712 1HB TYR 90 1HB TYR 90 9.974 2.923 -26.331 713 2HB TYR 90 2HB TYR 90 11.692 2.709 -26.603 714 HD1 TYR 90 HD1 TYR 90 8.341 1.060 -27.013 715 HD2 TYR 90 HD2 TYR 90 12.416 1.290 -28.414 716 HE1 TYR 90 HE1 TYR 90 7.753 -0.371 -28.950 717 HE2 TYR 90 HE2 TYR 90 11.843 -0.151 -30.341 718 HH TYR 90 HH TYR 90 10.163 -1.345 -31.433 719 H SER 91 H SER 91 11.635 0.224 -22.944 720 HA SER 91 HA SER 91 14.348 -0.044 -23.211 721 1HB SER 91 1HB SER 91 12.602 -2.134 -21.883 722 2HB SER 91 2HB SER 91 14.208 -1.575 -21.408 723 HG SER 91 HG SER 91 12.624 -0.616 -20.083 Start of MODEL 4 1 1H MET 1 1H MET 1 2.447 -1.507 1.918 2 2H MET 1 2H MET 1 3.843 -0.735 1.590 3 3H MET 1 3H MET 1 2.623 0.067 2.349 4 HA MET 1 HA MET 1 1.222 -0.111 0.439 5 1HB MET 1 1HB MET 1 3.167 1.737 0.763 6 2HB MET 1 2HB MET 1 3.745 1.014 -0.737 7 1HG MET 1 1HG MET 1 1.390 1.358 -1.644 8 2HG MET 1 2HG MET 1 1.029 2.261 -0.184 9 1HE MET 1 1HE MET 1 4.573 2.591 -2.305 10 2HE MET 1 2HE MET 1 3.261 1.899 -3.278 11 3HE MET 1 3HE MET 1 3.857 3.545 -3.616 12 H LEU 2 H LEU 2 1.617 -0.377 -2.268 13 HA LEU 2 HA LEU 2 2.502 -3.224 -2.527 14 1HB LEU 2 1HB LEU 2 -0.145 -1.873 -3.001 15 2HB LEU 2 2HB LEU 2 0.361 -3.147 -4.092 16 HG LEU 2 HG LEU 2 0.563 -4.749 -2.243 17 1HD1 LEU 2 1HD1 LEU 2 -0.723 -4.235 -0.138 18 2HD1 LEU 2 2HD1 LEU 2 0.802 -3.377 -0.263 19 3HD1 LEU 2 3HD1 LEU 2 -0.725 -2.518 -0.601 20 1HD2 LEU 2 1HD2 LEU 2 -2.111 -3.362 -2.691 21 2HD2 LEU 2 2HD2 LEU 2 -1.405 -4.638 -3.695 22 3HD2 LEU 2 3HD2 LEU 2 -1.927 -4.998 -2.041 23 H GLN 3 H GLN 3 2.250 -3.875 -4.937 24 HA GLN 3 HA GLN 3 2.968 -1.803 -6.877 25 1HB GLN 3 1HB GLN 3 5.081 -2.358 -5.828 26 2HB GLN 3 2HB GLN 3 4.781 -4.079 -5.954 27 1HG GLN 3 1HG GLN 3 4.927 -2.549 -8.544 28 2HG GLN 3 2HG GLN 3 6.387 -2.663 -7.586 29 1HE2 GLN 3 2HE2 GLN 3 7.679 -4.243 -8.320 30 2HE2 GLN 3 1HE2 GLN 3 7.142 -5.848 -8.817 31 H TYR 4 H TYR 4 2.684 -2.550 -9.077 32 HA TYR 4 HA TYR 4 1.611 -5.277 -9.388 33 1HB TYR 4 1HB TYR 4 -0.047 -4.663 -10.985 34 2HB TYR 4 2HB TYR 4 -0.345 -3.840 -9.482 35 HD1 TYR 4 HD1 TYR 4 -1.551 -1.923 -9.975 36 HD2 TYR 4 HD2 TYR 4 1.661 -2.932 -12.663 37 HE1 TYR 4 HE1 TYR 4 -1.769 0.269 -11.078 38 HE2 TYR 4 HE2 TYR 4 1.465 -0.755 -13.734 39 HH TYR 4 HH TYR 4 0.439 1.338 -13.707 40 H ARG 5 H ARG 5 1.745 -6.075 -11.550 41 HA ARG 5 HA ARG 5 3.332 -4.583 -13.537 42 1HB ARG 5 1HB ARG 5 4.935 -6.244 -12.618 43 2HB ARG 5 2HB ARG 5 3.727 -7.515 -12.798 44 1HG ARG 5 1HG ARG 5 3.771 -7.026 -15.334 45 2HG ARG 5 2HG ARG 5 5.163 -5.993 -15.010 46 1HD ARG 5 1HD ARG 5 5.922 -8.172 -15.730 47 2HD ARG 5 2HD ARG 5 6.339 -7.982 -14.016 48 HE ARG 5 HE ARG 5 3.857 -9.227 -13.988 49 1HH1 ARG 5 1HH2 ARG 5 7.002 -10.075 -15.406 50 2HH1 ARG 5 2HH2 ARG 5 6.728 -11.775 -15.311 51 1HH2 ARG 5 1HH1 ARG 5 3.501 -11.399 -13.826 52 2HH2 ARG 5 2HH1 ARG 5 4.663 -12.568 -14.390 53 H ILE 6 H ILE 6 2.101 -4.644 -15.445 54 HA ILE 6 HA ILE 6 -0.195 -6.532 -15.632 55 HB ILE 6 HB ILE 6 -0.185 -3.495 -15.892 56 1HG1 ILE 6 1HG1 ILE 6 -1.925 -5.245 -14.118 57 2HG1 ILE 6 2HG1 ILE 6 -0.445 -4.473 -13.562 58 1HG2 ILE 6 1HG2 ILE 6 -1.516 -4.366 -17.732 59 2HG2 ILE 6 2HG2 ILE 6 -2.414 -5.442 -16.632 60 3HG2 ILE 6 3HG2 ILE 6 -2.599 -3.677 -16.545 61 1HD1 ILE 6 1HD1 ILE 6 -2.965 -3.053 -14.458 62 2HD1 ILE 6 2HD1 ILE 6 -2.217 -3.093 -12.854 63 3HD1 ILE 6 3HD1 ILE 6 -1.399 -2.249 -14.176 64 H ILE 7 H ILE 7 -0.561 -7.176 -17.783 65 HA ILE 7 HA ILE 7 0.829 -5.737 -19.911 66 HB ILE 7 HB ILE 7 1.008 -8.338 -20.751 67 1HG1 ILE 7 1HG1 ILE 7 0.757 -9.151 -18.324 68 2HG1 ILE 7 2HG1 ILE 7 2.033 -9.803 -19.330 69 1HG2 ILE 7 1HG2 ILE 7 3.456 -8.025 -20.624 70 2HG2 ILE 7 2HG2 ILE 7 2.592 -6.627 -21.282 71 3HG2 ILE 7 3HG2 ILE 7 3.176 -6.587 -19.615 72 1HD1 ILE 7 1HD1 ILE 7 2.809 -9.392 -17.032 73 2HD1 ILE 7 2HD1 ILE 7 3.735 -8.429 -18.196 74 3HD1 ILE 7 3HD1 ILE 7 2.489 -7.662 -17.209 75 H VAL 8 H VAL 8 -0.450 -5.528 -21.681 76 HA VAL 8 HA VAL 8 -3.108 -6.854 -21.682 77 HB VAL 8 HB VAL 8 -4.057 -4.514 -22.060 78 1HG1 VAL 8 1HG1 VAL 8 -2.992 -5.193 -19.305 79 2HG1 VAL 8 2HG1 VAL 8 -4.321 -4.071 -19.670 80 3HG1 VAL 8 3HG1 VAL 8 -4.475 -5.780 -20.078 81 1HG2 VAL 8 1HG2 VAL 8 -1.969 -3.242 -22.371 82 2HG2 VAL 8 2HG2 VAL 8 -2.944 -2.595 -21.056 83 3HG2 VAL 8 3HG2 VAL 8 -1.502 -3.561 -20.686 84 H ASP 9 H ASP 9 -4.060 -7.036 -23.673 85 HA ASP 9 HA ASP 9 -2.853 -5.669 -26.000 86 1HB ASP 9 1HB ASP 9 -1.791 -7.880 -26.001 87 2HB ASP 9 2HB ASP 9 -3.366 -8.661 -25.816 88 H GLY 10 H GLY 10 -4.408 -5.437 -27.715 89 1HA GLY 10 1HA GLY 10 -6.976 -5.946 -28.137 90 2HA GLY 10 2HA GLY 10 -7.087 -5.027 -26.616 91 H ARG 11 H ARG 11 -8.066 -3.240 -27.720 92 HA ARG 11 HA ARG 11 -6.235 -1.586 -29.375 93 1HB ARG 11 1HB ARG 11 -8.729 -1.468 -29.808 94 2HB ARG 11 2HB ARG 11 -8.933 -0.819 -28.176 95 1HG ARG 11 1HG ARG 11 -7.317 1.051 -28.827 96 2HG ARG 11 2HG ARG 11 -7.427 0.463 -30.492 97 1HD ARG 11 1HD ARG 11 -9.716 1.413 -28.730 98 2HD ARG 11 2HD ARG 11 -8.981 2.346 -30.040 99 HE ARG 11 HE ARG 11 -9.741 0.300 -31.477 100 1HH1 ARG 11 1HH2 ARG 11 -11.637 1.840 -28.855 101 2HH1 ARG 11 2HH2 ARG 11 -13.155 1.425 -29.562 102 1HH2 ARG 11 1HH1 ARG 11 -11.775 -0.238 -32.372 103 2HH2 ARG 11 2HH1 ARG 11 -13.235 0.234 -31.594 104 H VAL 12 H VAL 12 -4.546 -1.827 -27.790 105 HA VAL 12 HA VAL 12 -4.993 -0.409 -25.208 106 HB VAL 12 HB VAL 12 -2.923 -1.578 -24.479 107 1HG1 VAL 12 1HG1 VAL 12 -3.982 -3.783 -24.218 108 2HG1 VAL 12 2HG1 VAL 12 -5.118 -2.460 -23.915 109 3HG1 VAL 12 3HG1 VAL 12 -5.198 -3.367 -25.438 110 1HG2 VAL 12 1HG2 VAL 12 -1.981 -3.424 -25.700 111 2HG2 VAL 12 2HG2 VAL 12 -3.164 -3.268 -27.011 112 3HG2 VAL 12 3HG2 VAL 12 -1.929 -2.017 -26.760 113 H GLN 13 H GLN 13 -3.966 0.321 -28.244 114 HA GLN 13 HA GLN 13 -2.589 2.717 -27.282 115 1HB GLN 13 1HB GLN 13 -1.681 1.090 -29.703 116 2HB GLN 13 2HB GLN 13 -1.065 2.672 -29.252 117 1HG GLN 13 1HG GLN 13 -0.709 0.164 -27.548 118 2HG GLN 13 2HG GLN 13 0.436 0.713 -28.756 119 1HE2 GLN 13 2HE2 GLN 13 -1.135 1.732 -25.667 120 2HE2 GLN 13 1HE2 GLN 13 0.175 2.779 -25.189 121 H GLY 14 H GLY 14 -3.059 4.479 -28.914 122 1HA GLY 14 1HA GLY 14 -4.751 4.413 -31.090 123 2HA GLY 14 2HA GLY 14 -5.826 4.286 -29.688 124 H VAL 15 H VAL 15 -6.678 6.427 -29.944 125 HA VAL 15 HA VAL 15 -5.162 8.706 -30.477 126 HB VAL 15 HB VAL 15 -7.123 9.982 -29.632 127 1HG1 VAL 15 1HG1 VAL 15 -7.019 9.104 -31.944 128 2HG1 VAL 15 2HG1 VAL 15 -7.840 7.617 -31.425 129 3HG1 VAL 15 3HG1 VAL 15 -8.677 9.178 -31.333 130 1HG2 VAL 15 1HG2 VAL 15 -9.155 8.824 -28.914 131 2HG2 VAL 15 2HG2 VAL 15 -8.330 7.258 -28.947 132 3HG2 VAL 15 3HG2 VAL 15 -7.851 8.501 -27.769 133 H GLY 16 H GLY 16 -5.643 7.174 -27.295 134 1HA GLY 16 1HA GLY 16 -4.286 9.440 -25.945 135 2HA GLY 16 2HA GLY 16 -5.071 8.067 -25.175 136 H PHE 17 H PHE 17 -3.095 7.144 -27.809 137 HA PHE 17 HA PHE 17 -1.474 5.561 -27.842 138 1HB PHE 17 1HB PHE 17 -0.077 8.009 -26.728 139 2HB PHE 17 2HB PHE 17 0.758 6.607 -27.398 140 HD1 PHE 17 HD1 PHE 17 0.941 6.231 -29.762 141 HD2 PHE 17 HD2 PHE 17 -1.573 9.401 -28.259 142 HE1 PHE 17 HE1 PHE 17 0.721 7.151 -32.055 143 HE2 PHE 17 HE2 PHE 17 -1.788 10.317 -30.552 144 HZ PHE 17 HZ PHE 17 -0.642 9.194 -32.457 145 H ARG 18 H ARG 18 0.613 6.357 -25.355 146 HA ARG 18 HA ARG 18 -0.704 4.511 -23.419 147 1HB ARG 18 1HB ARG 18 1.790 4.175 -22.639 148 2HB ARG 18 2HB ARG 18 1.056 3.167 -23.835 149 1HG ARG 18 1HG ARG 18 2.201 4.531 -25.640 150 2HG ARG 18 2HG ARG 18 2.982 5.464 -24.357 151 1HD ARG 18 1HD ARG 18 3.878 3.244 -23.455 152 2HD ARG 18 2HD ARG 18 3.226 2.457 -24.890 153 HE ARG 18 HE ARG 18 5.629 4.088 -24.640 154 1HH1 ARG 18 1HH2 ARG 18 3.243 2.933 -27.081 155 2HH1 ARG 18 2HH2 ARG 18 4.408 2.971 -28.348 156 1HH2 ARG 18 1HH1 ARG 18 7.067 4.104 -26.274 157 2HH2 ARG 18 2HH1 ARG 18 6.639 3.660 -27.907 158 H TYR 19 H TYR 19 -0.251 7.734 -23.910 159 HA TYR 19 HA TYR 19 0.613 8.336 -21.185 160 1HB TYR 19 1HB TYR 19 -0.089 10.607 -21.581 161 2HB TYR 19 2HB TYR 19 1.056 10.039 -22.777 162 HD1 TYR 19 HD1 TYR 19 -2.546 10.853 -22.187 163 HD2 TYR 19 HD2 TYR 19 0.574 10.166 -25.089 164 HE1 TYR 19 HE1 TYR 19 -3.988 11.818 -23.951 165 HE2 TYR 19 HE2 TYR 19 -0.852 11.159 -26.861 166 HH TYR 19 HH TYR 19 -2.912 12.151 -27.360 167 H PHE 20 H PHE 20 -2.449 7.466 -22.776 168 HA PHE 20 HA PHE 20 -4.262 8.293 -20.850 169 1HB PHE 20 1HB PHE 20 -5.271 7.224 -22.592 170 2HB PHE 20 2HB PHE 20 -4.069 5.940 -22.685 171 HD1 PHE 20 HD1 PHE 20 -6.667 7.138 -20.200 172 HD2 PHE 20 HD2 PHE 20 -4.806 3.776 -22.164 173 HE1 PHE 20 HE1 PHE 20 -8.191 5.589 -19.010 174 HE2 PHE 20 HE2 PHE 20 -6.292 2.228 -20.901 175 HZ PHE 20 HZ PHE 20 -7.999 3.135 -19.348 176 H VAL 21 H VAL 21 -2.290 5.234 -20.585 177 HA VAL 21 HA VAL 21 -3.407 4.764 -17.992 178 HB VAL 21 HB VAL 21 -1.578 3.120 -17.781 179 1HG1 VAL 21 1HG1 VAL 21 -3.817 2.564 -18.695 180 2HG1 VAL 21 2HG1 VAL 21 -3.248 2.950 -20.330 181 3HG1 VAL 21 3HG1 VAL 21 -2.560 1.578 -19.458 182 1HG2 VAL 21 1HG2 VAL 21 -0.221 2.453 -19.611 183 2HG2 VAL 21 2HG2 VAL 21 -0.874 3.718 -20.668 184 3HG2 VAL 21 3HG2 VAL 21 0.132 4.153 -19.263 185 H GLN 22 H GLN 22 -0.586 6.694 -19.061 186 HA GLN 22 HA GLN 22 0.368 7.027 -16.342 187 1HB GLN 22 1HB GLN 22 0.817 8.658 -18.873 188 2HB GLN 22 2HB GLN 22 1.521 9.064 -17.335 189 1HG GLN 22 1HG GLN 22 2.107 6.715 -19.107 190 2HG GLN 22 2HG GLN 22 3.216 7.888 -18.374 191 1HE2 GLN 22 2HE2 GLN 22 2.367 4.692 -18.252 192 2HE2 GLN 22 1HE2 GLN 22 2.760 4.341 -16.580 193 H MET 23 H MET 23 -2.191 8.611 -18.230 194 HA MET 23 HA MET 23 -2.568 10.796 -16.365 195 1HB MET 23 1HB MET 23 -4.611 9.449 -18.199 196 2HB MET 23 2HB MET 23 -4.872 10.911 -17.263 197 1HG MET 23 1HG MET 23 -2.952 11.963 -18.549 198 2HG MET 23 2HG MET 23 -3.028 10.566 -19.631 199 1HE MET 23 1HE MET 23 -5.101 10.117 -21.381 200 2HE MET 23 2HE MET 23 -5.994 9.800 -19.863 201 3HE MET 23 3HE MET 23 -6.683 10.865 -21.108 202 H GLU 24 H GLU 24 -4.124 7.522 -16.741 203 HA GLU 24 HA GLU 24 -5.775 7.897 -14.445 204 1HB GLU 24 1HB GLU 24 -4.850 5.383 -15.909 205 2HB GLU 24 2HB GLU 24 -6.118 5.410 -14.680 206 1HG GLU 24 1HG GLU 24 -6.211 6.938 -17.343 207 2HG GLU 24 2HG GLU 24 -7.038 5.423 -16.964 208 H ALA 25 H ALA 25 -2.503 6.573 -14.813 209 HA ALA 25 HA ALA 25 -2.151 5.597 -12.168 210 1HB ALA 25 1HB ALA 25 -0.614 5.060 -14.007 211 2HB ALA 25 2HB ALA 25 -0.190 6.776 -14.202 212 3HB ALA 25 3HB ALA 25 0.296 5.913 -12.747 213 H ASP 26 H ASP 26 -1.330 8.783 -13.633 214 HA ASP 26 HA ASP 26 -0.328 9.945 -11.225 215 1HB ASP 26 1HB ASP 26 0.250 10.858 -13.385 216 2HB ASP 26 2HB ASP 26 -1.442 11.207 -13.757 217 H LYS 27 H LYS 27 -3.559 10.036 -12.735 218 HA LYS 27 HA LYS 27 -4.906 11.751 -10.984 219 1HB LYS 27 1HB LYS 27 -5.856 11.031 -13.038 220 2HB LYS 27 2HB LYS 27 -5.745 9.333 -12.615 221 1HG LYS 27 1HG LYS 27 -7.499 11.110 -10.930 222 2HG LYS 27 2HG LYS 27 -8.040 10.707 -12.547 223 1HD LYS 27 1HD LYS 27 -7.215 8.585 -10.528 224 2HD LYS 27 2HD LYS 27 -8.870 9.166 -10.691 225 1HE LYS 27 1HE LYS 27 -7.230 7.820 -12.882 226 2HE LYS 27 2HE LYS 27 -8.408 7.009 -11.858 227 1HZ LYS 27 1HZ LYS 27 -10.146 8.369 -12.810 228 2HZ LYS 27 2HZ LYS 27 -9.068 9.209 -13.727 229 3HZ LYS 27 3HZ LYS 27 -9.299 7.625 -14.012 230 H ARG 28 H ARG 28 -3.786 8.463 -10.372 231 HA ARG 28 HA ARG 28 -5.069 8.601 -7.689 232 1HB ARG 28 1HB ARG 28 -5.576 6.751 -9.721 233 2HB ARG 28 2HB ARG 28 -4.461 5.878 -8.686 234 1HG ARG 28 1HG ARG 28 -5.942 6.068 -6.791 235 2HG ARG 28 2HG ARG 28 -6.884 7.361 -7.551 236 1HD ARG 28 1HD ARG 28 -7.769 5.855 -9.239 237 2HD ARG 28 2HD ARG 28 -6.726 4.552 -8.687 238 HE ARG 28 HE ARG 28 -8.213 4.031 -7.042 239 1HH1 ARG 28 1HH2 ARG 28 -9.003 7.389 -7.870 240 2HH1 ARG 28 2HH2 ARG 28 -10.638 7.265 -7.344 241 1HH2 ARG 28 1HH1 ARG 28 -10.430 3.787 -6.660 242 2HH2 ARG 28 2HH1 ARG 28 -11.435 5.188 -6.502 243 H LYS 29 H LYS 29 -2.414 9.560 -8.687 244 HA LYS 29 HA LYS 29 -0.299 9.689 -8.034 245 1HB LYS 29 1HB LYS 29 -1.799 10.410 -6.055 246 2HB LYS 29 2HB LYS 29 -1.248 8.933 -5.258 247 1HG LYS 29 1HG LYS 29 1.124 9.745 -5.510 248 2HG LYS 29 2HG LYS 29 0.517 11.198 -6.321 249 1HD LYS 29 1HD LYS 29 -0.744 11.814 -4.275 250 2HD LYS 29 2HD LYS 29 -0.146 10.347 -3.466 251 1HE LYS 29 1HE LYS 29 2.191 11.143 -3.765 252 2HE LYS 29 2HE LYS 29 1.597 12.600 -4.569 253 1HZ LYS 29 1HZ LYS 29 2.079 13.009 -2.243 254 2HZ LYS 29 2HZ LYS 29 0.484 13.208 -2.499 255 3HZ LYS 29 3HZ LYS 29 1.034 11.860 -1.754 256 H LEU 30 H LEU 30 -0.765 7.180 -9.201 257 HA LEU 30 HA LEU 30 0.940 5.238 -7.762 258 1HB LEU 30 1HB LEU 30 0.058 5.332 -10.670 259 2HB LEU 30 2HB LEU 30 0.887 3.999 -9.879 260 HG LEU 30 HG LEU 30 -1.967 4.947 -9.376 261 1HD1 LEU 30 1HD1 LEU 30 -1.613 3.568 -11.407 262 2HD1 LEU 30 2HD1 LEU 30 -0.808 2.335 -10.430 263 3HD1 LEU 30 3HD1 LEU 30 -2.533 2.686 -10.179 264 1HD2 LEU 30 1HD2 LEU 30 -0.315 2.847 -7.930 265 2HD2 LEU 30 2HD2 LEU 30 -1.115 4.272 -7.217 266 3HD2 LEU 30 3HD2 LEU 30 -2.085 2.932 -7.843 267 H ALA 31 H ALA 31 3.053 4.624 -8.767 268 HA ALA 31 HA ALA 31 4.378 6.711 -10.432 269 1HB ALA 31 1HB ALA 31 5.482 5.548 -7.830 270 2HB ALA 31 2HB ALA 31 6.363 6.600 -8.957 271 3HB ALA 31 3HB ALA 31 4.960 7.231 -8.082 272 H GLY 32 H GLY 32 5.446 5.658 -12.135 273 1HA GLY 32 1HA GLY 32 6.514 3.008 -12.049 274 2HA GLY 32 2HA GLY 32 4.810 2.965 -12.523 275 H TRP 33 H TRP 33 5.689 2.033 -14.547 276 HA TRP 33 HA TRP 33 6.190 4.201 -16.475 277 1HB TRP 33 1HB TRP 33 7.868 2.996 -17.658 278 2HB TRP 33 2HB TRP 33 8.372 3.173 -15.996 279 HD1 TRP 33 HD1 TRP 33 6.627 0.370 -18.104 280 HE1 TRP 33 HE1 TRP 33 7.686 -1.877 -17.575 281 HE3 TRP 33 HE3 TRP 33 9.915 1.910 -14.487 282 HZ2 TRP 33 HZ2 TRP 33 9.863 -2.854 -15.936 283 HZ3 TRP 33 HZ3 TRP 33 11.487 0.288 -13.471 284 HH2 TRP 33 HH2 TRP 33 11.479 -2.094 -14.191 285 H VAL 34 H VAL 34 5.656 3.611 -18.695 286 HA VAL 34 HA VAL 34 4.253 1.006 -19.080 287 HB VAL 34 HB VAL 34 2.526 2.691 -18.938 288 1HG1 VAL 34 1HG1 VAL 34 3.821 4.097 -21.291 289 2HG1 VAL 34 2HG1 VAL 34 2.319 4.559 -20.464 290 3HG1 VAL 34 3HG1 VAL 34 3.872 4.697 -19.636 291 1HG2 VAL 34 1HG2 VAL 34 1.427 2.338 -21.129 292 2HG2 VAL 34 2HG2 VAL 34 2.942 1.754 -21.811 293 3HG2 VAL 34 3HG2 VAL 34 2.152 0.857 -20.503 294 H LYS 35 H LYS 35 4.771 -0.047 -21.018 295 HA LYS 35 HA LYS 35 6.250 1.402 -23.079 296 1HB LYS 35 1HB LYS 35 8.124 -0.043 -23.204 297 2HB LYS 35 2HB LYS 35 8.050 0.576 -21.559 298 1HG LYS 35 1HG LYS 35 7.392 -1.523 -20.648 299 2HG LYS 35 2HG LYS 35 7.036 -2.203 -22.248 300 1HD LYS 35 1HD LYS 35 9.409 -1.930 -22.908 301 2HD LYS 35 2HD LYS 35 9.810 -1.334 -21.299 302 1HE LYS 35 1HE LYS 35 8.494 -4.047 -21.727 303 2HE LYS 35 2HE LYS 35 10.233 -3.832 -21.964 304 1HZ LYS 35 1HZ LYS 35 8.755 -3.392 -19.440 305 2HZ LYS 35 2HZ LYS 35 9.797 -4.576 -19.759 306 3HZ LYS 35 3HZ LYS 35 10.366 -3.041 -19.647 307 H ASN 36 H ASN 36 6.421 0.062 -25.089 308 HA ASN 36 HA ASN 36 4.323 -2.021 -25.361 309 1HB ASN 36 1HB ASN 36 4.742 -0.495 -27.281 310 2HB ASN 36 2HB ASN 36 6.437 -1.002 -27.315 311 1HD2 ASN 36 2HD2 ASN 36 3.052 -2.234 -27.688 312 2HD2 ASN 36 1HD2 ASN 36 3.500 -3.592 -28.678 313 H ARG 37 H ARG 37 4.932 -4.262 -25.640 314 HA ARG 37 HA ARG 37 7.692 -4.963 -24.759 315 1HB ARG 37 1HB ARG 37 6.003 -5.119 -22.936 316 2HB ARG 37 2HB ARG 37 5.033 -6.212 -23.931 317 1HG ARG 37 1HG ARG 37 6.902 -7.863 -23.911 318 2HG ARG 37 2HG ARG 37 7.858 -6.759 -22.898 319 1HD ARG 37 1HD ARG 37 6.170 -6.905 -21.109 320 2HD ARG 37 2HD ARG 37 5.121 -7.862 -22.154 321 HE ARG 37 HE ARG 37 6.544 -9.717 -22.006 322 1HH1 ARG 37 1HH2 ARG 37 7.654 -7.097 -19.789 323 2HH1 ARG 37 2HH2 ARG 37 8.664 -8.173 -18.898 324 1HH2 ARG 37 1HH1 ARG 37 7.879 -11.071 -20.768 325 2HH2 ARG 37 2HH1 ARG 37 8.785 -10.451 -19.444 326 H ASP 38 H ASP 38 8.583 -6.679 -25.791 327 HA ASP 38 HA ASP 38 8.140 -6.749 -28.483 328 1HB ASP 38 1HB ASP 38 10.272 -7.208 -27.376 329 2HB ASP 38 2HB ASP 38 9.650 -8.739 -26.754 330 H ASP 39 H ASP 39 6.678 -8.968 -26.162 331 HA ASP 39 HA ASP 39 6.001 -11.093 -27.926 332 1HB ASP 39 1HB ASP 39 5.819 -11.222 -25.469 333 2HB ASP 39 2HB ASP 39 4.500 -10.047 -25.498 334 H GLY 40 H GLY 40 4.716 -7.846 -27.685 335 1HA GLY 40 1HA GLY 40 3.597 -6.966 -29.612 336 2HA GLY 40 2HA GLY 40 2.685 -8.471 -29.794 337 H ARG 41 H ARG 41 3.318 -6.545 -26.789 338 HA ARG 41 HA ARG 41 0.468 -5.846 -26.551 339 1HB ARG 41 1HB ARG 41 0.198 -7.023 -24.445 340 2HB ARG 41 2HB ARG 41 0.641 -8.151 -25.706 341 1HG ARG 41 1HG ARG 41 3.025 -8.103 -24.801 342 2HG ARG 41 2HG ARG 41 2.429 -7.057 -23.490 343 1HD ARG 41 1HD ARG 41 2.521 -9.327 -22.704 344 2HD ARG 41 2HD ARG 41 0.848 -8.753 -22.793 345 HE ARG 41 HE ARG 41 2.114 -10.558 -24.833 346 1HH1 ARG 41 1HH1 ARG 41 -0.743 -9.761 -22.848 347 2HH1 ARG 41 2HH1 ARG 41 -1.680 -11.083 -23.450 348 1HH2 ARG 41 1HH2 ARG 41 0.980 -12.165 -25.611 349 2HH2 ARG 41 2HH2 ARG 41 -0.677 -12.509 -25.134 350 H VAL 42 H VAL 42 0.189 -4.459 -24.494 351 HA VAL 42 HA VAL 42 2.592 -2.727 -24.146 352 HB VAL 42 HB VAL 42 -0.361 -2.371 -23.533 353 1HG1 VAL 42 1HG1 VAL 42 0.217 -0.108 -22.650 354 2HG1 VAL 42 2HG1 VAL 42 0.832 -1.403 -21.616 355 3HG1 VAL 42 3HG1 VAL 42 1.941 -0.550 -22.702 356 1HG2 VAL 42 1HG2 VAL 42 -0.166 -0.470 -25.044 357 2HG2 VAL 42 2HG2 VAL 42 1.580 -0.758 -25.240 358 3HG2 VAL 42 3HG2 VAL 42 0.400 -1.929 -25.865 359 H GLU 43 H GLU 43 3.383 -2.386 -22.054 360 HA GLU 43 HA GLU 43 2.542 -4.249 -19.905 361 1HB GLU 43 1HB GLU 43 4.682 -5.011 -20.951 362 2HB GLU 43 2HB GLU 43 5.337 -3.384 -20.763 363 1HG GLU 43 1HG GLU 43 4.842 -3.789 -18.184 364 2HG GLU 43 2HG GLU 43 4.833 -5.490 -18.645 365 H ILE 44 H ILE 44 2.470 -3.257 -17.893 366 HA ILE 44 HA ILE 44 3.203 -0.410 -17.620 367 HB ILE 44 HB ILE 44 0.669 -1.535 -16.447 368 1HG1 ILE 44 1HG1 ILE 44 0.656 -0.330 -19.238 369 2HG1 ILE 44 2HG1 ILE 44 0.372 -2.035 -18.867 370 1HG2 ILE 44 1HG2 ILE 44 1.708 0.702 -15.785 371 2HG2 ILE 44 2HG2 ILE 44 1.305 1.286 -17.406 372 3HG2 ILE 44 3HG2 ILE 44 0.025 0.783 -16.282 373 1HD1 ILE 44 1HD1 ILE 44 -1.601 -1.438 -17.508 374 2HD1 ILE 44 2HD1 ILE 44 -1.396 0.260 -18.001 375 3HD1 ILE 44 3HD1 ILE 44 -1.740 -0.976 -19.218 376 H LEU 45 H LEU 45 4.081 -0.075 -15.490 377 HA LEU 45 HA LEU 45 3.784 -2.234 -13.469 378 1HB LEU 45 1HB LEU 45 5.607 -2.997 -14.867 379 2HB LEU 45 2HB LEU 45 6.410 -1.436 -14.796 380 HG LEU 45 HG LEU 45 5.893 -2.917 -12.206 381 1HD1 LEU 45 1HD1 LEU 45 6.823 -4.634 -13.691 382 2HD1 LEU 45 2HD1 LEU 45 8.147 -3.545 -14.153 383 3HD1 LEU 45 3HD1 LEU 45 8.018 -4.147 -12.483 384 1HD2 LEU 45 1HD2 LEU 45 8.140 -1.921 -11.667 385 2HD2 LEU 45 2HD2 LEU 45 8.116 -1.093 -13.231 386 3HD2 LEU 45 3HD2 LEU 45 6.913 -0.699 -11.992 387 H ALA 46 H ALA 46 3.580 -1.226 -11.453 388 HA ALA 46 HA ALA 46 4.837 1.362 -10.977 389 1HB ALA 46 1HB ALA 46 2.715 1.929 -12.285 390 2HB ALA 46 2HB ALA 46 1.791 1.140 -10.982 391 3HB ALA 46 3HB ALA 46 2.741 2.585 -10.638 392 H GLU 47 H GLU 47 4.394 2.157 -8.814 393 HA GLU 47 HA GLU 47 3.483 0.098 -6.884 394 1HB GLU 47 1HB GLU 47 4.891 1.106 -5.208 395 2HB GLU 47 2HB GLU 47 5.829 0.532 -6.583 396 1HG GLU 47 1HG GLU 47 5.977 2.881 -7.439 397 2HG GLU 47 2HG GLU 47 5.047 3.437 -6.041 398 H GLY 48 H GLY 48 2.161 0.897 -5.110 399 1HA GLY 48 1HA GLY 48 1.381 3.504 -4.596 400 2HA GLY 48 2HA GLY 48 0.264 2.935 -5.834 401 HA PRO 49 HA PRO 49 -1.149 1.303 -1.674 402 1HB PRO 49 1HB PRO 49 -3.422 2.777 -1.282 403 2HB PRO 49 2HB PRO 49 -1.797 3.324 -0.768 404 1HG PRO 49 1HG PRO 49 -3.326 4.086 -3.251 405 2HG PRO 49 2HG PRO 49 -2.413 5.152 -2.146 406 1HD PRO 49 1HD PRO 49 -1.379 4.194 -4.525 407 2HD PRO 49 2HD PRO 49 -0.360 4.544 -3.096 408 H GLU 50 H GLU 50 -3.030 -0.079 -1.365 409 HA GLU 50 HA GLU 50 -3.433 -1.673 -3.582 410 1HB GLU 50 1HB GLU 50 -3.672 -2.352 -1.197 411 2HB GLU 50 2HB GLU 50 -5.202 -1.478 -1.103 412 1HG GLU 50 1HG GLU 50 -6.152 -2.970 -2.865 413 2HG GLU 50 2HG GLU 50 -4.614 -3.826 -2.967 414 H ASN 51 H ASN 51 -5.910 0.575 -2.189 415 HA ASN 51 HA ASN 51 -7.898 -0.014 -4.124 416 1HB ASN 51 1HB ASN 51 -8.448 1.189 -2.071 417 2HB ASN 51 2HB ASN 51 -7.367 2.517 -2.494 418 1HD2 ASN 51 2HD2 ASN 51 -8.323 4.288 -3.496 419 2HD2 ASN 51 1HD2 ASN 51 -9.870 4.249 -4.293 420 H ALA 52 H ALA 52 -5.168 2.283 -4.299 421 HA ALA 52 HA ALA 52 -6.106 3.629 -6.664 422 1HB ALA 52 1HB ALA 52 -3.285 3.312 -5.553 423 2HB ALA 52 2HB ALA 52 -3.773 4.421 -6.845 424 3HB ALA 52 3HB ALA 52 -4.413 4.649 -5.212 425 H LEU 53 H LEU 53 -3.856 0.905 -6.067 426 HA LEU 53 HA LEU 53 -3.185 0.443 -8.796 427 1HB LEU 53 1HB LEU 53 -3.237 -1.412 -6.391 428 2HB LEU 53 2HB LEU 53 -2.528 -1.854 -7.934 429 HG LEU 53 HG LEU 53 -1.574 0.495 -6.237 430 1HD1 LEU 53 1HD1 LEU 53 0.288 -1.020 -5.624 431 2HD1 LEU 53 2HD1 LEU 53 -1.282 -1.607 -5.052 432 3HD1 LEU 53 3HD1 LEU 53 -0.517 -2.357 -6.474 433 1HD2 LEU 53 1HD2 LEU 53 -0.032 -0.925 -8.427 434 2HD2 LEU 53 2HD2 LEU 53 -0.944 0.582 -8.698 435 3HD2 LEU 53 3HD2 LEU 53 0.402 0.542 -7.560 436 H GLN 54 H GLN 54 -5.700 -1.080 -6.734 437 HA GLN 54 HA GLN 54 -6.564 -2.834 -8.803 438 1HB GLN 54 1HB GLN 54 -8.076 -1.851 -6.338 439 2HB GLN 54 2HB GLN 54 -8.579 -3.200 -7.359 440 1HG GLN 54 1HG GLN 54 -6.112 -3.071 -5.595 441 2HG GLN 54 2HG GLN 54 -7.554 -4.008 -5.309 442 1HE2 GLN 54 2HE2 GLN 54 -4.827 -4.942 -5.352 443 2HE2 GLN 54 1HE2 GLN 54 -4.715 -6.186 -6.564 444 H SER 55 H SER 55 -7.782 0.381 -7.808 445 HA SER 55 HA SER 55 -9.990 0.426 -9.654 446 1HB SER 55 1HB SER 55 -8.318 2.760 -8.698 447 2HB SER 55 2HB SER 55 -9.955 2.846 -9.366 448 HG SER 55 HG SER 55 -9.130 1.665 -6.903 449 H PHE 56 H PHE 56 -6.513 1.335 -9.972 450 HA PHE 56 HA PHE 56 -6.687 2.304 -12.630 451 1HB PHE 56 1HB PHE 56 -4.774 2.779 -11.269 452 2HB PHE 56 2HB PHE 56 -4.416 1.072 -11.034 453 HD1 PHE 56 HD1 PHE 56 -4.115 3.926 -13.341 454 HD2 PHE 56 HD2 PHE 56 -3.586 -0.345 -12.869 455 HE1 PHE 56 HE1 PHE 56 -2.922 3.814 -15.498 456 HE2 PHE 56 HE2 PHE 56 -2.339 -0.412 -15.019 457 HZ PHE 56 HZ PHE 56 -2.041 1.650 -16.336 458 H VAL 57 H VAL 57 -6.075 -1.089 -11.398 459 HA VAL 57 HA VAL 57 -5.811 -2.280 -13.937 460 HB VAL 57 HB VAL 57 -6.956 -3.363 -11.329 461 1HG1 VAL 57 1HG1 VAL 57 -6.584 -5.644 -12.252 462 2HG1 VAL 57 2HG1 VAL 57 -7.881 -4.784 -13.081 463 3HG1 VAL 57 3HG1 VAL 57 -6.286 -4.927 -13.854 464 1HG2 VAL 57 1HG2 VAL 57 -4.464 -2.737 -11.462 465 2HG2 VAL 57 2HG2 VAL 57 -4.840 -4.396 -10.991 466 3HG2 VAL 57 3HG2 VAL 57 -4.314 -4.046 -12.646 467 H GLU 58 H GLU 58 -8.837 -1.605 -12.062 468 HA GLU 58 HA GLU 58 -10.624 -2.620 -14.003 469 1HB GLU 58 1HB GLU 58 -10.952 -0.349 -12.006 470 2HB GLU 58 2HB GLU 58 -12.278 -0.994 -12.954 471 1HG GLU 58 1HG GLU 58 -10.621 -2.826 -11.182 472 2HG GLU 58 2HG GLU 58 -11.890 -1.809 -10.512 473 H ALA 59 H ALA 59 -9.099 0.588 -13.761 474 HA ALA 59 HA ALA 59 -10.557 1.847 -15.869 475 1HB ALA 59 1HB ALA 59 -7.737 2.487 -14.893 476 2HB ALA 59 2HB ALA 59 -8.841 3.553 -15.774 477 3HB ALA 59 3HB ALA 59 -9.231 3.042 -14.117 478 H VAL 60 H VAL 60 -7.398 0.042 -15.940 479 HA VAL 60 HA VAL 60 -7.020 0.494 -18.761 480 HB VAL 60 HB VAL 60 -5.998 -1.984 -17.285 481 1HG1 VAL 60 1HG1 VAL 60 -4.902 -0.353 -19.630 482 2HG1 VAL 60 2HG1 VAL 60 -4.162 -1.800 -18.916 483 3HG1 VAL 60 3HG1 VAL 60 -5.713 -1.930 -19.756 484 1HG2 VAL 60 1HG2 VAL 60 -4.867 0.865 -17.288 485 2HG2 VAL 60 2HG2 VAL 60 -5.214 -0.182 -15.896 486 3HG2 VAL 60 3HG2 VAL 60 -3.884 -0.580 -16.954 487 H LYS 61 H LYS 61 -8.485 -2.252 -16.913 488 HA LYS 61 HA LYS 61 -9.065 -3.849 -19.156 489 1HB LYS 61 1HB LYS 61 -9.066 -4.579 -16.797 490 2HB LYS 61 2HB LYS 61 -10.530 -3.642 -16.488 491 1HG LYS 61 1HG LYS 61 -11.861 -5.075 -17.877 492 2HG LYS 61 2HG LYS 61 -10.439 -5.811 -18.623 493 1HD LYS 61 1HD LYS 61 -11.554 -7.321 -16.983 494 2HD LYS 61 2HD LYS 61 -9.860 -7.002 -16.634 495 1HE LYS 61 1HE LYS 61 -11.052 -6.963 -14.552 496 2HE LYS 61 2HE LYS 61 -10.503 -5.331 -14.913 497 1HZ LYS 61 1HZ LYS 61 -13.257 -6.374 -15.135 498 2HZ LYS 61 2HZ LYS 61 -12.681 -5.177 -14.158 499 3HZ LYS 61 3HZ LYS 61 -12.820 -4.922 -15.762 500 H ASN 62 H ASN 62 -11.069 -1.295 -17.611 501 HA ASN 62 HA ASN 62 -13.286 -1.629 -19.411 502 1HB ASN 62 1HB ASN 62 -13.394 -0.549 -17.144 503 2HB ASN 62 2HB ASN 62 -12.476 0.817 -17.784 504 1HD2 ASN 62 2HD2 ASN 62 -13.784 2.525 -18.408 505 2HD2 ASN 62 1HD2 ASN 62 -15.441 2.363 -18.963 506 H GLY 63 H GLY 63 -10.166 -0.057 -19.799 507 1HA GLY 63 1HA GLY 63 -9.292 1.378 -21.289 508 2HA GLY 63 2HA GLY 63 -10.354 0.596 -22.465 509 H SER 64 H SER 64 -11.198 2.669 -19.650 510 HA SER 64 HA SER 64 -13.519 3.445 -20.518 511 1HB SER 64 1HB SER 64 -11.774 5.372 -18.961 512 2HB SER 64 2HB SER 64 -13.525 5.152 -18.853 513 HG SER 64 HG SER 64 -12.223 4.081 -17.199 514 HA PRO 65 HA PRO 65 -12.573 7.496 -22.673 515 1HB PRO 65 1HB PRO 65 -10.093 8.210 -23.608 516 2HB PRO 65 2HB PRO 65 -10.672 8.519 -21.946 517 1HG PRO 65 1HG PRO 65 -8.929 6.228 -22.902 518 2HG PRO 65 2HG PRO 65 -8.708 7.299 -21.482 519 1HD PRO 65 1HD PRO 65 -9.835 4.817 -21.291 520 2HD PRO 65 2HD PRO 65 -10.380 6.168 -20.269 521 H PHE 66 H PHE 66 -10.815 4.678 -24.059 522 HA PHE 66 HA PHE 66 -12.181 4.979 -26.583 523 1HB PHE 66 1HB PHE 66 -10.358 5.472 -28.051 524 2HB PHE 66 2HB PHE 66 -10.405 6.756 -26.865 525 HD1 PHE 66 HD1 PHE 66 -8.629 6.904 -25.096 526 HD2 PHE 66 HD2 PHE 66 -8.467 3.929 -28.208 527 HE1 PHE 66 HE1 PHE 66 -6.311 6.333 -24.439 528 HE2 PHE 66 HE2 PHE 66 -6.144 3.371 -27.551 529 HZ PHE 66 HZ PHE 66 -5.047 4.582 -25.673 530 H SER 67 H SER 67 -9.642 3.407 -24.646 531 HA SER 67 HA SER 67 -8.923 1.420 -26.540 532 1HB SER 67 1HB SER 67 -7.915 0.565 -24.179 533 2HB SER 67 2HB SER 67 -7.217 1.874 -25.135 534 HG SER 67 HG SER 67 -7.399 2.573 -23.037 535 H LYS 68 H LYS 68 -8.956 -0.958 -25.881 536 HA LYS 68 HA LYS 68 -10.557 -1.704 -23.723 537 1HB LYS 68 1HB LYS 68 -12.266 -3.039 -24.475 538 2HB LYS 68 2HB LYS 68 -12.468 -1.588 -25.420 539 1HG LYS 68 1HG LYS 68 -11.283 -4.220 -26.402 540 2HG LYS 68 2HG LYS 68 -12.930 -3.652 -26.648 541 1HD LYS 68 1HD LYS 68 -12.039 -1.691 -27.952 542 2HD LYS 68 2HD LYS 68 -10.417 -2.355 -27.737 543 1HE LYS 68 1HE LYS 68 -11.161 -2.979 -29.925 544 2HE LYS 68 2HE LYS 68 -11.074 -4.428 -28.923 545 1HZ LYS 68 1HZ LYS 68 -13.569 -2.955 -29.576 546 2HZ LYS 68 2HZ LYS 68 -13.094 -4.357 -30.252 547 3HZ LYS 68 3HZ LYS 68 -13.491 -4.318 -28.675 548 H VAL 69 H VAL 69 -9.910 -3.795 -22.993 549 HA VAL 69 HA VAL 69 -7.575 -4.886 -24.437 550 HB VAL 69 HB VAL 69 -7.259 -6.293 -22.495 551 1HG1 VAL 69 1HG1 VAL 69 -6.658 -4.566 -20.889 552 2HG1 VAL 69 2HG1 VAL 69 -6.343 -3.987 -22.533 553 3HG1 VAL 69 3HG1 VAL 69 -7.764 -3.403 -21.644 554 1HG2 VAL 69 1HG2 VAL 69 -9.765 -5.021 -21.311 555 2HG2 VAL 69 2HG2 VAL 69 -9.544 -6.729 -21.743 556 3HG2 VAL 69 3HG2 VAL 69 -8.598 -6.026 -20.431 557 H THR 70 H THR 70 -7.534 -7.024 -25.217 558 HA THR 70 HA THR 70 -10.080 -8.569 -25.179 559 HB THR 70 HB THR 70 -9.227 -9.634 -27.296 560 HG1 THR 70 HG1 THR 70 -7.107 -9.071 -27.373 561 1HG2 THR 70 1HG2 THR 70 -10.968 -7.855 -27.337 562 2HG2 THR 70 2HG2 THR 70 -9.699 -6.621 -27.492 563 3HG2 THR 70 3HG2 THR 70 -9.936 -7.825 -28.777 564 H ASP 71 H ASP 71 -6.747 -8.308 -24.223 565 HA ASP 71 HA ASP 71 -7.083 -10.757 -22.662 566 1HB ASP 71 1HB ASP 71 -5.861 -11.588 -24.633 567 2HB ASP 71 2HB ASP 71 -4.707 -10.256 -24.510 568 H ILE 72 H ILE 72 -6.145 -10.446 -20.638 569 HA ILE 72 HA ILE 72 -4.303 -8.231 -20.166 570 HB ILE 72 HB ILE 72 -6.345 -7.043 -19.924 571 1HG1 ILE 72 1HG1 ILE 72 -5.630 -7.769 -17.060 572 2HG1 ILE 72 2HG1 ILE 72 -4.525 -6.877 -18.087 573 1HG2 ILE 72 1HG2 ILE 72 -7.435 -9.203 -18.080 574 2HG2 ILE 72 2HG2 ILE 72 -8.220 -7.662 -18.465 575 3HG2 ILE 72 3HG2 ILE 72 -7.988 -8.856 -19.733 576 1HD1 ILE 72 1HD1 ILE 72 -5.735 -5.283 -16.731 577 2HD1 ILE 72 2HD1 ILE 72 -6.297 -5.087 -18.389 578 3HD1 ILE 72 3HD1 ILE 72 -7.293 -5.971 -17.210 579 H SER 73 H SER 73 -2.888 -8.762 -18.592 580 HA SER 73 HA SER 73 -3.494 -10.999 -16.739 581 1HB SER 73 1HB SER 73 -0.910 -10.621 -18.318 582 2HB SER 73 2HB SER 73 -1.178 -11.814 -17.037 583 HG SER 73 HG SER 73 -2.509 -11.639 -19.548 584 H VAL 74 H VAL 74 -2.631 -10.644 -14.699 585 HA VAL 74 HA VAL 74 -1.299 -8.046 -14.171 586 HB VAL 74 HB VAL 74 -3.796 -9.124 -12.779 587 1HG1 VAL 74 1HG1 VAL 74 -2.236 -6.539 -12.334 588 2HG1 VAL 74 2HG1 VAL 74 -3.825 -6.903 -11.634 589 3HG1 VAL 74 3HG1 VAL 74 -2.427 -7.882 -11.195 590 1HG2 VAL 74 1HG2 VAL 74 -4.944 -7.106 -13.704 591 2HG2 VAL 74 2HG2 VAL 74 -3.518 -6.788 -14.714 592 3HG2 VAL 74 3HG2 VAL 74 -4.473 -8.267 -14.939 593 H THR 75 H THR 75 0.088 -8.131 -12.483 594 HA THR 75 HA THR 75 0.259 -10.522 -10.742 595 HB THR 75 HB THR 75 2.740 -9.018 -11.550 596 HG1 THR 75 HG1 THR 75 1.500 -9.756 -13.491 597 1HG2 THR 75 1HG2 THR 75 3.832 -11.194 -11.248 598 2HG2 THR 75 2HG2 THR 75 2.869 -10.774 -9.821 599 3HG2 THR 75 3HG2 THR 75 2.251 -11.969 -10.986 600 H GLU 76 H GLU 76 0.767 -9.790 -8.527 601 HA GLU 76 HA GLU 76 1.435 -6.967 -8.206 602 1HB GLU 76 1HB GLU 76 -0.246 -6.555 -6.524 603 2HB GLU 76 2HB GLU 76 -0.989 -6.927 -8.080 604 1HG GLU 76 1HG GLU 76 -1.615 -9.156 -7.326 605 2HG GLU 76 2HG GLU 76 -0.696 -8.955 -5.828 606 H SER 77 H SER 77 2.294 -6.464 -6.184 607 HA SER 77 HA SER 77 3.414 -8.666 -4.558 608 1HB SER 77 1HB SER 77 5.085 -6.614 -6.093 609 2HB SER 77 2HB SER 77 5.704 -7.884 -5.029 610 HG SER 77 HG SER 77 4.868 -9.428 -6.504 611 H ARG 78 H ARG 78 4.909 -7.522 -2.842 612 HA ARG 78 HA ARG 78 3.794 -4.847 -2.088 613 1HB ARG 78 1HB ARG 78 4.470 -7.203 -0.281 614 2HB ARG 78 2HB ARG 78 4.325 -5.544 0.286 615 1HG ARG 78 1HG ARG 78 2.236 -6.464 0.755 616 2HG ARG 78 2HG ARG 78 1.988 -5.469 -0.673 617 1HD ARG 78 1HD ARG 78 2.160 -7.622 -2.047 618 2HD ARG 78 2HD ARG 78 2.214 -8.504 -0.536 619 HE ARG 78 HE ARG 78 -0.045 -7.846 -0.094 620 1HH1 ARG 78 1HH1 ARG 78 0.936 -6.780 -3.404 621 2HH1 ARG 78 2HH1 ARG 78 -0.673 -7.125 -4.027 622 1HH2 ARG 78 1HH2 ARG 78 -2.158 -8.121 -1.111 623 2HH2 ARG 78 2HH2 ARG 78 -2.303 -7.753 -2.819 624 H SER 79 H SER 79 6.565 -6.565 -3.099 625 HA SER 79 HA SER 79 8.545 -4.799 -2.026 626 1HB SER 79 1HB SER 79 8.585 -6.452 -4.583 627 2HB SER 79 2HB SER 79 9.978 -5.802 -3.699 628 HG SER 79 HG SER 79 9.599 -8.011 -3.223 629 H LEU 80 H LEU 80 7.927 -2.659 -2.316 630 HA LEU 80 HA LEU 80 7.076 -1.372 -4.698 631 1HB LEU 80 1HB LEU 80 8.838 -0.496 -2.361 632 2HB LEU 80 2HB LEU 80 8.477 0.583 -3.689 633 HG LEU 80 HG LEU 80 6.102 0.565 -3.210 634 1HD1 LEU 80 1HD1 LEU 80 5.662 -1.622 -2.318 635 2HD1 LEU 80 2HD1 LEU 80 6.815 -1.380 -0.975 636 3HD1 LEU 80 3HD1 LEU 80 5.305 -0.474 -1.038 637 1HD2 LEU 80 1HD2 LEU 80 7.553 2.201 -2.092 638 2HD2 LEU 80 2HD2 LEU 80 6.224 1.742 -1.019 639 3HD2 LEU 80 3HD2 LEU 80 7.843 1.069 -0.752 640 H GLU 81 H GLU 81 8.306 -0.147 -6.235 641 HA GLU 81 HA GLU 81 10.844 -1.344 -7.098 642 1HB GLU 81 1HB GLU 81 9.267 1.065 -8.123 643 2HB GLU 81 2HB GLU 81 10.634 0.306 -8.931 644 1HG GLU 81 1HG GLU 81 7.876 -0.912 -8.442 645 2HG GLU 81 2HG GLU 81 8.559 -0.385 -9.971 646 H GLY 82 H GLY 82 9.654 1.469 -5.348 647 1HA GLY 82 1HA GLY 82 10.793 3.145 -4.196 648 2HA GLY 82 2HA GLY 82 12.354 2.569 -4.819 649 H HIS 83 H HIS 83 9.376 3.065 -6.777 650 HA HIS 83 HA HIS 83 10.852 4.543 -8.757 651 1HB HIS 83 1HB HIS 83 8.552 3.073 -8.852 652 2HB HIS 83 2HB HIS 83 7.867 4.684 -8.787 653 HD1 HIS 83 HD1 HIS 83 7.798 5.856 -11.222 654 HD2 HIS 83 HD2 HIS 83 10.520 2.660 -10.827 655 HE1 HIS 83 HE1 HIS 83 8.844 5.518 -13.502 656 H HIS 84 H HIS 84 10.428 6.725 -9.448 657 HA HIS 84 HA HIS 84 9.462 8.596 -7.345 658 1HB HIS 84 1HB HIS 84 11.514 9.852 -7.453 659 2HB HIS 84 2HB HIS 84 11.897 8.188 -7.050 660 HD1 HIS 84 HD1 HIS 84 12.795 10.847 -9.515 661 HD2 HIS 84 HD2 HIS 84 12.927 6.650 -9.226 662 HE1 HIS 84 HE1 HIS 84 14.400 10.055 -11.325 663 H ARG 85 H ARG 85 8.572 7.648 -10.139 664 HA ARG 85 HA ARG 85 8.180 10.244 -11.463 665 1HB ARG 85 1HB ARG 85 9.267 7.903 -13.048 666 2HB ARG 85 2HB ARG 85 9.147 9.591 -13.539 667 1HG ARG 85 1HG ARG 85 11.015 10.115 -11.918 668 2HG ARG 85 2HG ARG 85 11.154 8.369 -11.609 669 1HD ARG 85 1HD ARG 85 11.554 9.786 -14.271 670 2HD ARG 85 2HD ARG 85 12.819 9.072 -13.275 671 HE ARG 85 HE ARG 85 10.863 7.715 -15.004 672 1HH1 ARG 85 1HH2 ARG 85 13.201 7.177 -12.342 673 2HH1 ARG 85 2HH2 ARG 85 13.415 5.509 -12.726 674 1HH2 ARG 85 1HH1 ARG 85 11.224 5.539 -15.518 675 2HH2 ARG 85 2HH1 ARG 85 12.201 4.540 -14.510 676 H PHE 86 H PHE 86 6.760 9.799 -13.474 677 HA PHE 86 HA PHE 86 5.564 7.146 -13.566 678 1HB PHE 86 1HB PHE 86 3.330 7.840 -13.733 679 2HB PHE 86 2HB PHE 86 3.962 8.538 -12.271 680 HD1 PHE 86 HD1 PHE 86 4.539 11.052 -12.222 681 HD2 PHE 86 HD2 PHE 86 2.411 9.166 -15.451 682 HE1 PHE 86 HE1 PHE 86 3.731 13.274 -12.984 683 HE2 PHE 86 HE2 PHE 86 1.593 11.394 -16.220 684 HZ PHE 86 HZ PHE 86 2.262 13.450 -14.985 685 H SER 87 H SER 87 6.016 6.446 -15.602 686 HA SER 87 HA SER 87 7.055 8.490 -17.521 687 1HB SER 87 1HB SER 87 8.347 5.924 -16.510 688 2HB SER 87 2HB SER 87 9.052 7.055 -17.674 689 HG SER 87 HG SER 87 8.917 8.668 -16.001 690 H ILE 88 H ILE 88 7.531 7.804 -19.660 691 HA ILE 88 HA ILE 88 6.036 5.432 -20.650 692 HB ILE 88 HB ILE 88 6.214 8.138 -22.055 693 1HG1 ILE 88 1HG1 ILE 88 3.823 6.940 -20.612 694 2HG1 ILE 88 2HG1 ILE 88 4.742 8.358 -20.089 695 1HG2 ILE 88 1HG2 ILE 88 6.061 6.152 -23.537 696 2HG2 ILE 88 2HG2 ILE 88 4.617 5.611 -22.647 697 3HG2 ILE 88 3HG2 ILE 88 4.585 7.095 -23.615 698 1HD1 ILE 88 1HD1 ILE 88 4.066 9.518 -22.222 699 2HD1 ILE 88 2HD1 ILE 88 2.938 8.171 -22.522 700 3HD1 ILE 88 3HD1 ILE 88 2.761 9.172 -21.075 701 H VAL 89 H VAL 89 7.418 4.109 -21.702 702 HA VAL 89 HA VAL 89 10.135 5.023 -22.357 703 HB VAL 89 HB VAL 89 8.750 2.344 -22.725 704 1HG1 VAL 89 1HG1 VAL 89 11.714 3.049 -22.818 705 2HG1 VAL 89 2HG1 VAL 89 11.048 1.402 -22.830 706 3HG1 VAL 89 3HG1 VAL 89 10.709 2.482 -24.178 707 1HG2 VAL 89 1HG2 VAL 89 10.564 3.338 -20.471 708 2HG2 VAL 89 2HG2 VAL 89 8.853 2.881 -20.322 709 3HG2 VAL 89 3HG2 VAL 89 10.058 1.650 -20.683 710 H TYR 90 H TYR 90 10.859 5.418 -24.410 711 HA TYR 90 HA TYR 90 9.148 4.816 -26.763 712 1HB TYR 90 1HB TYR 90 10.541 7.447 -26.127 713 2HB TYR 90 2HB TYR 90 9.887 7.041 -27.701 714 HD1 TYR 90 HD1 TYR 90 7.380 6.474 -27.912 715 HD2 TYR 90 HD2 TYR 90 9.109 8.527 -24.532 716 HE1 TYR 90 HE1 TYR 90 5.171 7.464 -27.390 717 HE2 TYR 90 HE2 TYR 90 6.919 9.554 -24.027 718 HH TYR 90 HH TYR 90 4.690 9.788 -24.691 719 H SER 91 H SER 91 11.921 3.990 -25.283 720 HA SER 91 HA SER 91 14.028 4.377 -27.074 721 1HB SER 91 1HB SER 91 13.516 1.917 -25.359 722 2HB SER 91 2HB SER 91 15.077 2.560 -25.892 723 HG SER 91 HG SER 91 14.617 3.188 -23.730 Start of MODEL 5 1 1H MET 1 1H MET 1 3.019 0.125 2.168 2 2H MET 1 2H MET 1 2.824 -1.466 1.812 3 3H MET 1 3H MET 1 4.187 -0.701 1.356 4 HA MET 1 HA MET 1 1.486 -0.100 0.373 5 1HB MET 1 1HB MET 1 3.578 1.671 0.405 6 2HB MET 1 2HB MET 1 3.838 0.883 -1.158 7 1HG MET 1 1HG MET 1 1.406 1.325 -1.674 8 2HG MET 1 2HG MET 1 1.256 2.160 -0.140 9 1HE MET 1 1HE MET 1 3.529 3.634 -3.869 10 2HE MET 1 2HE MET 1 4.498 2.766 -2.668 11 3HE MET 1 3HE MET 1 3.131 1.947 -3.450 12 H LEU 2 H LEU 2 2.001 -0.375 -2.426 13 HA LEU 2 HA LEU 2 2.889 -3.178 -2.742 14 1HB LEU 2 1HB LEU 2 0.111 -2.085 -3.370 15 2HB LEU 2 2HB LEU 2 0.750 -3.587 -4.002 16 HG LEU 2 HG LEU 2 1.015 -4.214 -1.423 17 1HD1 LEU 2 1HD1 LEU 2 0.109 -2.089 -0.502 18 2HD1 LEU 2 2HD1 LEU 2 -1.356 -2.290 -1.467 19 3HD1 LEU 2 3HD1 LEU 2 -0.978 -3.429 -0.155 20 1HD2 LEU 2 1HD2 LEU 2 -1.160 -5.356 -1.604 21 2HD2 LEU 2 2HD2 LEU 2 -1.609 -4.313 -2.972 22 3HD2 LEU 2 3HD2 LEU 2 -0.263 -5.459 -3.128 23 H GLN 3 H GLN 3 2.426 -3.763 -5.182 24 HA GLN 3 HA GLN 3 2.604 -1.602 -7.101 25 1HB GLN 3 1HB GLN 3 4.890 -1.651 -6.469 26 2HB GLN 3 2HB GLN 3 4.941 -3.402 -6.344 27 1HG GLN 3 1HG GLN 3 4.537 -2.259 -9.088 28 2HG GLN 3 2HG GLN 3 6.080 -2.012 -8.311 29 1HE2 GLN 3 2HE2 GLN 3 7.609 -3.558 -8.710 30 2HE2 GLN 3 1HE2 GLN 3 7.245 -5.242 -9.065 31 H TYR 4 H TYR 4 2.291 -2.361 -9.262 32 HA TYR 4 HA TYR 4 1.575 -5.233 -9.515 33 1HB TYR 4 1HB TYR 4 -0.004 -4.720 -11.270 34 2HB TYR 4 2HB TYR 4 -0.475 -3.969 -9.769 35 HD1 TYR 4 HD1 TYR 4 1.601 -2.922 -12.839 36 HD2 TYR 4 HD2 TYR 4 -1.640 -1.995 -10.154 37 HE1 TYR 4 HE1 TYR 4 1.393 -0.715 -13.863 38 HE2 TYR 4 HE2 TYR 4 -1.880 0.207 -11.216 39 HH TYR 4 HH TYR 4 -1.054 1.672 -12.880 40 H ARG 5 H ARG 5 2.022 -6.129 -11.593 41 HA ARG 5 HA ARG 5 3.303 -4.364 -13.545 42 1HB ARG 5 1HB ARG 5 5.126 -5.837 -12.522 43 2HB ARG 5 2HB ARG 5 4.289 -7.230 -13.229 44 1HG ARG 5 1HG ARG 5 4.576 -6.254 -15.499 45 2HG ARG 5 2HG ARG 5 5.280 -4.792 -14.784 46 1HD ARG 5 1HD ARG 5 7.084 -6.277 -13.774 47 2HD ARG 5 2HD ARG 5 6.446 -7.600 -14.771 48 HE ARG 5 HE ARG 5 6.965 -5.291 -16.407 49 1HH1 ARG 5 1HH2 ARG 5 8.776 -7.795 -14.628 50 2HH1 ARG 5 2HH2 ARG 5 10.174 -7.660 -15.626 51 1HH2 ARG 5 1HH1 ARG 5 8.703 -5.142 -17.693 52 2HH2 ARG 5 2HH1 ARG 5 10.162 -6.089 -17.441 53 H ILE 6 H ILE 6 2.330 -4.695 -15.548 54 HA ILE 6 HA ILE 6 0.121 -6.687 -15.706 55 HB ILE 6 HB ILE 6 0.039 -3.668 -16.118 56 1HG1 ILE 6 1HG1 ILE 6 -1.623 -5.368 -14.224 57 2HG1 ILE 6 2HG1 ILE 6 -0.195 -4.465 -13.740 58 1HG2 ILE 6 1HG2 ILE 6 -1.253 -4.682 -17.898 59 2HG2 ILE 6 2HG2 ILE 6 -2.139 -5.705 -16.739 60 3HG2 ILE 6 3HG2 ILE 6 -2.358 -3.941 -16.771 61 1HD1 ILE 6 1HD1 ILE 6 -2.071 -3.156 -13.135 62 2HD1 ILE 6 2HD1 ILE 6 -1.307 -2.357 -14.520 63 3HD1 ILE 6 3HD1 ILE 6 -2.808 -3.292 -14.733 64 H ILE 7 H ILE 7 -0.265 -7.357 -17.851 65 HA ILE 7 HA ILE 7 1.054 -5.896 -20.005 66 HB ILE 7 HB ILE 7 1.055 -8.517 -20.912 67 1HG1 ILE 7 1HG1 ILE 7 0.998 -9.329 -18.481 68 2HG1 ILE 7 2HG1 ILE 7 2.162 -10.008 -19.595 69 1HG2 ILE 7 1HG2 ILE 7 3.421 -6.887 -19.934 70 2HG2 ILE 7 2HG2 ILE 7 3.489 -8.240 -21.087 71 3HG2 ILE 7 3HG2 ILE 7 2.645 -6.735 -21.499 72 1HD1 ILE 7 1HD1 ILE 7 4.001 -8.769 -18.624 73 2HD1 ILE 7 2HD1 ILE 7 2.913 -7.840 -17.586 74 3HD1 ILE 7 3HD1 ILE 7 3.107 -9.583 -17.331 75 H VAL 8 H VAL 8 -0.302 -5.678 -21.760 76 HA VAL 8 HA VAL 8 -2.951 -7.044 -21.662 77 HB VAL 8 HB VAL 8 -3.957 -4.846 -22.297 78 1HG1 VAL 8 1HG1 VAL 8 -4.085 -3.960 -20.026 79 2HG1 VAL 8 2HG1 VAL 8 -4.179 -5.722 -20.060 80 3HG1 VAL 8 3HG1 VAL 8 -2.677 -4.930 -19.552 81 1HG2 VAL 8 1HG2 VAL 8 -2.840 -2.747 -21.737 82 2HG2 VAL 8 2HG2 VAL 8 -1.341 -3.608 -21.338 83 3HG2 VAL 8 3HG2 VAL 8 -1.973 -3.619 -23.004 84 H ASP 9 H ASP 9 -4.051 -7.159 -23.655 85 HA ASP 9 HA ASP 9 -2.661 -6.334 -26.119 86 1HB ASP 9 1HB ASP 9 -1.981 -8.696 -25.882 87 2HB ASP 9 2HB ASP 9 -3.654 -9.166 -25.576 88 H GLY 10 H GLY 10 -4.255 -6.052 -27.835 89 1HA GLY 10 1HA GLY 10 -6.857 -6.421 -28.146 90 2HA GLY 10 2HA GLY 10 -6.870 -5.283 -26.774 91 H ARG 11 H ARG 11 -7.763 -3.654 -28.143 92 HA ARG 11 HA ARG 11 -5.927 -2.426 -30.110 93 1HB ARG 11 1HB ARG 11 -8.427 -2.404 -30.492 94 2HB ARG 11 2HB ARG 11 -8.613 -1.412 -29.041 95 1HG ARG 11 1HG ARG 11 -7.163 0.348 -30.110 96 2HG ARG 11 2HG ARG 11 -7.033 -0.663 -31.552 97 1HD ARG 11 1HD ARG 11 -9.614 0.482 -30.387 98 2HD ARG 11 2HD ARG 11 -8.731 1.158 -31.750 99 HE ARG 11 HE ARG 11 -10.493 -1.155 -31.737 100 1HH1 ARG 11 1HH2 ARG 11 -7.904 0.470 -33.552 101 2HH1 ARG 11 2HH2 ARG 11 -8.305 -0.270 -35.056 102 1HH2 ARG 11 1HH1 ARG 11 -11.010 -2.153 -33.739 103 2HH2 ARG 11 2HH1 ARG 11 -10.109 -1.791 -35.159 104 H VAL 12 H VAL 12 -4.390 -2.708 -28.088 105 HA VAL 12 HA VAL 12 -4.927 -0.819 -25.908 106 HB VAL 12 HB VAL 12 -2.891 -1.847 -24.890 107 1HG1 VAL 12 1HG1 VAL 12 -5.143 -2.602 -24.401 108 2HG1 VAL 12 2HG1 VAL 12 -5.130 -3.703 -25.781 109 3HG1 VAL 12 3HG1 VAL 12 -4.029 -3.987 -24.424 110 1HG2 VAL 12 1HG2 VAL 12 -1.915 -3.868 -25.805 111 2HG2 VAL 12 2HG2 VAL 12 -2.971 -3.817 -27.228 112 3HG2 VAL 12 3HG2 VAL 12 -1.725 -2.573 -26.992 113 H GLN 13 H GLN 13 -4.214 0.097 -28.736 114 HA GLN 13 HA GLN 13 -2.917 2.411 -27.768 115 1HB GLN 13 1HB GLN 13 -1.030 0.606 -28.646 116 2HB GLN 13 2HB GLN 13 -1.460 1.345 -30.179 117 1HG GLN 13 1HG GLN 13 0.444 2.498 -29.256 118 2HG GLN 13 2HG GLN 13 -0.926 3.601 -29.186 119 1HE2 GLN 13 2HE2 GLN 13 0.827 1.165 -27.109 120 2HE2 GLN 13 1HE2 GLN 13 0.541 2.019 -25.622 121 H GLY 14 H GLY 14 -3.232 4.145 -29.452 122 1HA GLY 14 1HA GLY 14 -4.378 3.897 -31.944 123 2HA GLY 14 2HA GLY 14 -5.749 3.764 -30.825 124 H VAL 15 H VAL 15 -6.184 5.534 -29.339 125 HA VAL 15 HA VAL 15 -5.559 8.141 -30.432 126 HB VAL 15 HB VAL 15 -6.772 9.006 -28.432 127 1HG1 VAL 15 1HG1 VAL 15 -7.921 8.527 -30.539 128 2HG1 VAL 15 2HG1 VAL 15 -8.203 6.850 -30.042 129 3HG1 VAL 15 3HG1 VAL 15 -8.975 8.185 -29.161 130 1HG2 VAL 15 1HG2 VAL 15 -8.058 7.474 -27.008 131 2HG2 VAL 15 2HG2 VAL 15 -7.255 6.069 -27.728 132 3HG2 VAL 15 3HG2 VAL 15 -6.332 7.243 -26.759 133 H GLY 16 H GLY 16 -4.319 6.251 -27.672 134 1HA GLY 16 1HA GLY 16 -1.745 7.070 -27.472 135 2HA GLY 16 2HA GLY 16 -2.619 8.447 -26.770 136 H PHE 17 H PHE 17 -2.926 4.834 -26.581 137 HA PHE 17 HA PHE 17 -4.338 4.964 -24.117 138 1HB PHE 17 1HB PHE 17 -4.247 3.027 -25.804 139 2HB PHE 17 2HB PHE 17 -2.703 2.611 -25.099 140 HD1 PHE 17 HD1 PHE 17 -6.061 3.615 -23.619 141 HD2 PHE 17 HD2 PHE 17 -2.919 0.659 -23.789 142 HE1 PHE 17 HE1 PHE 17 -7.361 2.143 -22.126 143 HE2 PHE 17 HE2 PHE 17 -4.222 -0.797 -22.272 144 HZ PHE 17 HZ PHE 17 -6.464 -0.076 -21.462 145 H ARG 18 H ARG 18 -0.836 4.522 -24.856 146 HA ARG 18 HA ARG 18 -0.245 3.880 -22.147 147 1HB ARG 18 1HB ARG 18 2.033 3.966 -22.663 148 2HB ARG 18 2HB ARG 18 1.183 3.219 -23.996 149 1HG ARG 18 1HG ARG 18 1.435 5.383 -25.288 150 2HG ARG 18 2HG ARG 18 2.331 6.036 -23.911 151 1HD ARG 18 1HD ARG 18 4.077 5.263 -25.238 152 2HD ARG 18 2HD ARG 18 3.839 3.878 -24.157 153 HE ARG 18 HE ARG 18 2.196 3.577 -26.473 154 1HH1 ARG 18 1HH1 ARG 18 5.702 3.374 -25.618 155 2HH1 ARG 18 2HH1 ARG 18 6.052 2.559 -27.142 156 1HH2 ARG 18 1HH2 ARG 18 2.898 2.536 -28.473 157 2HH2 ARG 18 2HH2 ARG 18 4.601 2.156 -28.630 158 H TYR 19 H TYR 19 -0.416 7.160 -23.683 159 HA TYR 19 HA TYR 19 0.529 8.276 -21.133 160 1HB TYR 19 1HB TYR 19 0.045 10.456 -21.948 161 2HB TYR 19 2HB TYR 19 1.124 9.574 -22.999 162 HD1 TYR 19 HD1 TYR 19 -2.416 10.759 -22.641 163 HD2 TYR 19 HD2 TYR 19 0.728 9.461 -25.295 164 HE1 TYR 19 HE1 TYR 19 -3.722 11.588 -24.572 165 HE2 TYR 19 HE2 TYR 19 -0.558 10.319 -27.242 166 HH TYR 19 HH TYR 19 -2.518 11.377 -27.951 167 H PHE 20 H PHE 20 -2.662 7.570 -22.641 168 HA PHE 20 HA PHE 20 -4.235 8.771 -20.595 169 1HB PHE 20 1HB PHE 20 -5.549 7.962 -22.317 170 2HB PHE 20 2HB PHE 20 -4.601 6.506 -22.517 171 HD1 PHE 20 HD1 PHE 20 -7.364 8.033 -20.555 172 HD2 PHE 20 HD2 PHE 20 -5.003 4.492 -21.232 173 HE1 PHE 20 HE1 PHE 20 -8.977 6.689 -19.229 174 HE2 PHE 20 HE2 PHE 20 -6.563 3.164 -19.845 175 HZ PHE 20 HZ PHE 20 -8.582 4.258 -18.864 176 H VAL 21 H VAL 21 -2.672 5.556 -20.693 177 HA VAL 21 HA VAL 21 -3.445 4.687 -18.152 178 HB VAL 21 HB VAL 21 -1.278 4.089 -20.131 179 1HG1 VAL 21 1HG1 VAL 21 -1.078 3.163 -17.275 180 2HG1 VAL 21 2HG1 VAL 21 -0.360 2.291 -18.653 181 3HG1 VAL 21 3HG1 VAL 21 0.142 3.945 -18.281 182 1HG2 VAL 21 1HG2 VAL 21 -3.345 2.363 -18.728 183 2HG2 VAL 21 2HG2 VAL 21 -3.530 3.092 -20.332 184 3HG2 VAL 21 3HG2 VAL 21 -2.290 1.870 -20.074 185 H GLN 22 H GLN 22 -0.509 6.725 -19.007 186 HA GLN 22 HA GLN 22 0.124 6.874 -16.210 187 1HB GLN 22 1HB GLN 22 1.078 8.568 -18.532 188 2HB GLN 22 2HB GLN 22 1.649 8.778 -16.885 189 1HG GLN 22 1HG GLN 22 1.984 6.282 -18.578 190 2HG GLN 22 2HG GLN 22 3.217 7.479 -18.182 191 1HE2 GLN 22 2HE2 GLN 22 4.332 5.319 -17.589 192 2HE2 GLN 22 1HE2 GLN 22 4.160 4.851 -15.911 193 H MET 23 H MET 23 -2.144 8.789 -18.122 194 HA MET 23 HA MET 23 -2.357 10.938 -16.170 195 1HB MET 23 1HB MET 23 -4.480 9.831 -18.060 196 2HB MET 23 2HB MET 23 -4.645 11.264 -17.058 197 1HG MET 23 1HG MET 23 -2.666 12.256 -18.273 198 2HG MET 23 2HG MET 23 -2.785 10.917 -19.419 199 1HE MET 23 1HE MET 23 -5.826 10.336 -19.703 200 2HE MET 23 2HE MET 23 -6.426 11.489 -20.917 201 3HE MET 23 3HE MET 23 -4.896 10.644 -21.202 202 H GLU 24 H GLU 24 -4.100 7.804 -16.675 203 HA GLU 24 HA GLU 24 -5.815 8.124 -14.424 204 1HB GLU 24 1HB GLU 24 -4.882 5.676 -15.985 205 2HB GLU 24 2HB GLU 24 -6.163 5.640 -14.775 206 1HG GLU 24 1HG GLU 24 -6.246 7.371 -17.315 207 2HG GLU 24 2HG GLU 24 -6.981 5.777 -17.120 208 H ALA 25 H ALA 25 -2.585 6.671 -14.824 209 HA ALA 25 HA ALA 25 -2.259 5.572 -12.243 210 1HB ALA 25 1HB ALA 25 -0.712 5.197 -14.174 211 2HB ALA 25 2HB ALA 25 -0.166 6.885 -14.049 212 3HB ALA 25 3HB ALA 25 0.167 5.762 -12.745 213 H ASP 26 H ASP 26 -1.331 8.840 -13.480 214 HA ASP 26 HA ASP 26 -0.443 9.862 -10.983 215 1HB ASP 26 1HB ASP 26 0.147 10.929 -13.077 216 2HB ASP 26 2HB ASP 26 -1.546 11.274 -13.438 217 H LYS 27 H LYS 27 -3.660 9.984 -12.529 218 HA LYS 27 HA LYS 27 -5.016 11.475 -10.549 219 1HB LYS 27 1HB LYS 27 -5.799 11.165 -12.790 220 2HB LYS 27 2HB LYS 27 -5.881 9.428 -12.611 221 1HG LYS 27 1HG LYS 27 -7.597 11.133 -10.805 222 2HG LYS 27 2HG LYS 27 -8.011 11.048 -12.510 223 1HD LYS 27 1HD LYS 27 -7.776 8.606 -10.712 224 2HD LYS 27 2HD LYS 27 -9.278 9.422 -11.183 225 1HE LYS 27 1HE LYS 27 -8.427 9.028 -13.625 226 2HE LYS 27 2HE LYS 27 -7.315 7.860 -12.895 227 1HZ LYS 27 1HZ LYS 27 -9.249 6.637 -12.084 228 2HZ LYS 27 2HZ LYS 27 -10.274 7.760 -12.708 229 3HZ LYS 27 3HZ LYS 27 -9.339 6.871 -13.714 230 H ARG 28 H ARG 28 -3.796 8.225 -10.335 231 HA ARG 28 HA ARG 28 -5.266 7.857 -7.748 232 1HB ARG 28 1HB ARG 28 -4.184 5.789 -9.712 233 2HB ARG 28 2HB ARG 28 -4.805 5.402 -8.116 234 1HG ARG 28 1HG ARG 28 -6.458 6.533 -10.395 235 2HG ARG 28 2HG ARG 28 -6.362 4.854 -9.881 236 1HD ARG 28 1HD ARG 28 -8.380 5.676 -8.986 237 2HD ARG 28 2HD ARG 28 -7.260 5.515 -7.622 238 HE ARG 28 HE ARG 28 -7.050 8.157 -8.615 239 1HH1 ARG 28 1HH1 ARG 28 -9.517 6.220 -6.937 240 2HH1 ARG 28 2HH1 ARG 28 -10.243 7.590 -6.186 241 1HH2 ARG 28 1HH2 ARG 28 -7.953 9.907 -7.656 242 2HH2 ARG 28 2HH2 ARG 28 -9.330 9.771 -6.612 243 H LYS 29 H LYS 29 -2.642 9.297 -8.571 244 HA LYS 29 HA LYS 29 -0.550 9.548 -7.864 245 1HB LYS 29 1HB LYS 29 -1.710 8.566 -5.224 246 2HB LYS 29 2HB LYS 29 -0.203 9.467 -5.425 247 1HG LYS 29 1HG LYS 29 -1.464 11.388 -6.382 248 2HG LYS 29 2HG LYS 29 -2.976 10.500 -6.169 249 1HD LYS 29 1HD LYS 29 -2.765 12.062 -4.369 250 2HD LYS 29 2HD LYS 29 -2.593 10.428 -3.714 251 1HE LYS 29 1HE LYS 29 -0.121 10.707 -3.669 252 2HE LYS 29 2HE LYS 29 -0.284 12.318 -4.380 253 1HZ LYS 29 1HZ LYS 29 -1.484 13.004 -2.387 254 2HZ LYS 29 2HZ LYS 29 -1.339 11.512 -1.730 255 3HZ LYS 29 3HZ LYS 29 -0.016 12.426 -1.987 256 H LEU 30 H LEU 30 -0.975 7.064 -9.163 257 HA LEU 30 HA LEU 30 0.850 5.120 -7.901 258 1HB LEU 30 1HB LEU 30 -0.348 5.253 -10.698 259 2HB LEU 30 2HB LEU 30 0.592 3.917 -10.045 260 HG LEU 30 HG LEU 30 -2.200 4.801 -9.235 261 1HD1 LEU 30 1HD1 LEU 30 -1.075 2.246 -10.445 262 2HD1 LEU 30 2HD1 LEU 30 -2.774 2.514 -9.991 263 3HD1 LEU 30 3HD1 LEU 30 -2.043 3.468 -11.295 264 1HD2 LEU 30 1HD2 LEU 30 -1.146 4.130 -7.181 265 2HD2 LEU 30 2HD2 LEU 30 -2.167 2.790 -7.715 266 3HD2 LEU 30 3HD2 LEU 30 -0.412 2.706 -7.968 267 H ALA 31 H ALA 31 2.922 4.590 -9.028 268 HA ALA 31 HA ALA 31 3.905 6.558 -10.993 269 1HB ALA 31 1HB ALA 31 5.958 6.992 -9.672 270 2HB ALA 31 2HB ALA 31 4.512 7.595 -8.845 271 3HB ALA 31 3HB ALA 31 5.264 6.072 -8.315 272 H GLY 32 H GLY 32 5.212 5.589 -12.486 273 1HA GLY 32 1HA GLY 32 7.183 3.763 -12.305 274 2HA GLY 32 2HA GLY 32 5.751 2.746 -12.297 275 H TRP 33 H TRP 33 6.335 1.903 -14.497 276 HA TRP 33 HA TRP 33 6.572 3.988 -16.603 277 1HB TRP 33 1HB TRP 33 7.981 2.564 -17.850 278 2HB TRP 33 2HB TRP 33 8.622 2.783 -16.245 279 HD1 TRP 33 HD1 TRP 33 6.424 0.001 -17.929 280 HE1 TRP 33 HE1 TRP 33 7.510 -2.277 -17.491 281 HE3 TRP 33 HE3 TRP 33 10.321 1.531 -14.968 282 HZ2 TRP 33 HZ2 TRP 33 9.878 -3.266 -16.212 283 HZ3 TRP 33 HZ3 TRP 33 11.991 -0.117 -14.168 284 HH2 TRP 33 HH2 TRP 33 11.791 -2.516 -14.793 285 H VAL 34 H VAL 34 5.824 3.515 -18.743 286 HA VAL 34 HA VAL 34 4.149 1.095 -19.114 287 HB VAL 34 HB VAL 34 2.613 2.967 -18.647 288 1HG1 VAL 34 1HG1 VAL 34 3.937 4.836 -19.533 289 2HG1 VAL 34 2HG1 VAL 34 3.776 4.194 -21.175 290 3HG1 VAL 34 3HG1 VAL 34 2.350 4.766 -20.294 291 1HG2 VAL 34 1HG2 VAL 34 1.144 2.605 -20.566 292 2HG2 VAL 34 2HG2 VAL 34 2.490 1.943 -21.515 293 3HG2 VAL 34 3HG2 VAL 34 1.917 1.091 -20.074 294 H LYS 35 H LYS 35 4.317 0.210 -21.191 295 HA LYS 35 HA LYS 35 6.303 1.347 -23.073 296 1HB LYS 35 1HB LYS 35 7.583 0.259 -21.250 297 2HB LYS 35 2HB LYS 35 6.563 -1.172 -21.378 298 1HG LYS 35 1HG LYS 35 7.527 -1.684 -23.585 299 2HG LYS 35 2HG LYS 35 8.506 -0.215 -23.524 300 1HD LYS 35 1HD LYS 35 9.847 -2.170 -22.952 301 2HD LYS 35 2HD LYS 35 9.684 -1.141 -21.514 302 1HE LYS 35 1HE LYS 35 7.875 -2.582 -20.653 303 2HE LYS 35 2HE LYS 35 7.896 -3.545 -22.130 304 1HZ LYS 35 1HZ LYS 35 10.118 -4.306 -21.517 305 2HZ LYS 35 2HZ LYS 35 10.088 -3.398 -20.147 306 3HZ LYS 35 3HZ LYS 35 9.001 -4.618 -20.346 307 H ASN 36 H ASN 36 6.301 0.144 -25.086 308 HA ASN 36 HA ASN 36 4.145 -1.919 -25.423 309 1HB ASN 36 1HB ASN 36 3.837 -0.267 -27.114 310 2HB ASN 36 2HB ASN 36 5.576 -0.123 -27.400 311 1HD2 ASN 36 2HD2 ASN 36 3.190 -2.941 -27.370 312 2HD2 ASN 36 1HD2 ASN 36 3.790 -3.558 -28.873 313 H ARG 37 H ARG 37 4.892 -4.007 -25.489 314 HA ARG 37 HA ARG 37 7.825 -4.490 -25.448 315 1HB ARG 37 1HB ARG 37 5.429 -6.372 -25.191 316 2HB ARG 37 2HB ARG 37 7.118 -6.881 -25.146 317 1HG ARG 37 1HG ARG 37 7.513 -5.539 -23.111 318 2HG ARG 37 2HG ARG 37 5.849 -4.948 -23.161 319 1HD ARG 37 1HD ARG 37 5.955 -6.704 -21.506 320 2HD ARG 37 2HD ARG 37 5.023 -7.286 -22.868 321 HE ARG 37 HE ARG 37 6.728 -8.766 -23.474 322 1HH1 ARG 37 2HH2 ARG 37 7.698 -6.910 -20.556 323 2HH1 ARG 37 1HH2 ARG 37 8.910 -8.060 -20.113 324 1HH2 ARG 37 1HH1 ARG 37 8.384 -10.217 -22.871 325 2HH2 ARG 37 2HH1 ARG 37 9.326 -9.942 -21.458 326 H ASP 38 H ASP 38 8.844 -5.642 -27.138 327 HA ASP 38 HA ASP 38 7.995 -5.125 -29.764 328 1HB ASP 38 1HB ASP 38 10.322 -5.534 -29.144 329 2HB ASP 38 2HB ASP 38 9.945 -7.201 -28.703 330 H ASP 39 H ASP 39 7.285 -7.886 -27.689 331 HA ASP 39 HA ASP 39 6.368 -9.750 -29.611 332 1HB ASP 39 1HB ASP 39 6.821 -10.300 -27.264 333 2HB ASP 39 2HB ASP 39 5.488 -9.267 -26.740 334 H GLY 40 H GLY 40 4.825 -6.807 -28.392 335 1HA GLY 40 1HA GLY 40 3.124 -5.943 -29.962 336 2HA GLY 40 2HA GLY 40 2.282 -7.493 -29.814 337 H ARG 41 H ARG 41 3.115 -7.493 -26.821 338 HA ARG 41 HA ARG 41 0.688 -6.479 -25.732 339 1HB ARG 41 1HB ARG 41 3.396 -7.036 -24.432 340 2HB ARG 41 2HB ARG 41 1.952 -6.622 -23.534 341 1HG ARG 41 1HG ARG 41 2.216 -9.139 -25.215 342 2HG ARG 41 2HG ARG 41 2.504 -9.015 -23.468 343 1HD ARG 41 1HD ARG 41 0.167 -8.112 -23.214 344 2HD ARG 41 2HD ARG 41 -0.110 -8.532 -24.916 345 HE ARG 41 HE ARG 41 0.876 -10.844 -23.678 346 1HH1 ARG 41 1HH2 ARG 41 -2.064 -8.827 -23.464 347 2HH1 ARG 41 2HH2 ARG 41 -2.960 -10.085 -22.629 348 1HH2 ARG 41 1HH1 ARG 41 -0.489 -12.481 -22.623 349 2HH2 ARG 41 2HH1 ARG 41 -2.142 -12.040 -22.244 350 H VAL 42 H VAL 42 0.347 -4.702 -24.300 351 HA VAL 42 HA VAL 42 2.522 -2.659 -24.174 352 HB VAL 42 HB VAL 42 -0.469 -2.400 -23.855 353 1HG1 VAL 42 1HG1 VAL 42 0.385 -1.442 -21.770 354 2HG1 VAL 42 2HG1 VAL 42 1.571 -0.471 -22.673 355 3HG1 VAL 42 3HG1 VAL 42 -0.171 -0.165 -22.857 356 1HG2 VAL 42 1HG2 VAL 42 0.574 -1.901 -26.036 357 2HG2 VAL 42 2HG2 VAL 42 -0.115 -0.455 -25.287 358 3HG2 VAL 42 3HG2 VAL 42 1.644 -0.714 -25.250 359 H GLU 43 H GLU 43 3.281 -2.236 -22.075 360 HA GLU 43 HA GLU 43 2.569 -4.211 -19.974 361 1HB GLU 43 1HB GLU 43 4.711 -4.815 -21.134 362 2HB GLU 43 2HB GLU 43 5.338 -3.209 -20.751 363 1HG GLU 43 1HG GLU 43 4.890 -3.868 -18.255 364 2HG GLU 43 2HG GLU 43 4.747 -5.516 -18.849 365 H ILE 44 H ILE 44 2.558 -3.281 -17.891 366 HA ILE 44 HA ILE 44 3.176 -0.401 -17.616 367 HB ILE 44 HB ILE 44 0.739 -1.603 -16.342 368 1HG1 ILE 44 1HG1 ILE 44 0.623 -0.593 -19.208 369 2HG1 ILE 44 2HG1 ILE 44 0.315 -2.242 -18.661 370 1HG2 ILE 44 1HG2 ILE 44 1.646 0.670 -15.749 371 2HG2 ILE 44 2HG2 ILE 44 1.312 1.199 -17.401 372 3HG2 ILE 44 3HG2 ILE 44 -0.015 0.724 -16.312 373 1HD1 ILE 44 1HD1 ILE 44 -1.791 -1.270 -19.064 374 2HD1 ILE 44 2HD1 ILE 44 -1.617 -1.391 -17.301 375 3HD1 ILE 44 3HD1 ILE 44 -1.409 0.176 -18.129 376 H LEU 45 H LEU 45 4.021 0.021 -15.479 377 HA LEU 45 HA LEU 45 3.831 -2.122 -13.441 378 1HB LEU 45 1HB LEU 45 5.890 -2.527 -14.894 379 2HB LEU 45 2HB LEU 45 6.521 -0.982 -14.348 380 HG LEU 45 HG LEU 45 5.808 -3.321 -12.519 381 1HD1 LEU 45 1HD1 LEU 45 8.542 -2.379 -13.480 382 2HD1 LEU 45 2HD1 LEU 45 8.209 -3.775 -12.429 383 3HD1 LEU 45 3HD1 LEU 45 7.686 -3.790 -14.120 384 1HD2 LEU 45 1HD2 LEU 45 5.827 -1.376 -11.121 385 2HD2 LEU 45 2HD2 LEU 45 7.379 -2.145 -10.906 386 3HD2 LEU 45 3HD2 LEU 45 7.260 -0.706 -11.943 387 H ALA 46 H ALA 46 3.304 -0.996 -11.540 388 HA ALA 46 HA ALA 46 4.608 1.539 -11.018 389 1HB ALA 46 1HB ALA 46 1.566 1.498 -11.223 390 2HB ALA 46 2HB ALA 46 2.574 2.874 -10.764 391 3HB ALA 46 3HB ALA 46 2.637 2.262 -12.426 392 H GLU 47 H GLU 47 4.364 2.248 -8.873 393 HA GLU 47 HA GLU 47 3.361 0.207 -6.972 394 1HB GLU 47 1HB GLU 47 4.653 1.291 -5.279 395 2HB GLU 47 2HB GLU 47 5.681 0.871 -6.645 396 1HG GLU 47 1HG GLU 47 5.683 3.216 -7.395 397 2HG GLU 47 2HG GLU 47 4.546 3.660 -6.117 398 H GLY 48 H GLY 48 1.999 0.870 -5.216 399 1HA GLY 48 1HA GLY 48 1.091 3.419 -4.621 400 2HA GLY 48 2HA GLY 48 -0.060 2.773 -5.791 401 HA PRO 49 HA PRO 49 -1.193 0.906 -1.659 402 1HB PRO 49 1HB PRO 49 -3.509 2.260 -1.121 403 2HB PRO 49 2HB PRO 49 -1.896 2.846 -0.611 404 1HG PRO 49 1HG PRO 49 -3.522 3.694 -3.006 405 2HG PRO 49 2HG PRO 49 -2.630 4.728 -1.854 406 1HD PRO 49 1HD PRO 49 -1.609 3.966 -4.313 407 2HD PRO 49 2HD PRO 49 -0.576 4.277 -2.886 408 H GLU 50 H GLU 50 -3.092 -0.520 -1.411 409 HA GLU 50 HA GLU 50 -3.398 -1.999 -3.724 410 1HB GLU 50 1HB GLU 50 -3.643 -2.814 -1.378 411 2HB GLU 50 2HB GLU 50 -5.224 -2.035 -1.284 412 1HG GLU 50 1HG GLU 50 -6.019 -3.483 -3.166 413 2HG GLU 50 2HG GLU 50 -4.426 -4.238 -3.241 414 H ASN 51 H ASN 51 -5.864 0.202 -2.282 415 HA ASN 51 HA ASN 51 -7.887 -0.395 -4.204 416 1HB ASN 51 1HB ASN 51 -8.446 0.629 -2.062 417 2HB ASN 51 2HB ASN 51 -7.466 2.053 -2.436 418 1HD2 ASN 51 2HD2 ASN 51 -10.361 0.204 -3.606 419 2HD2 ASN 51 1HD2 ASN 51 -11.136 1.592 -4.316 420 H ALA 52 H ALA 52 -5.281 2.038 -4.223 421 HA ALA 52 HA ALA 52 -6.211 3.521 -6.522 422 1HB ALA 52 1HB ALA 52 -3.436 3.097 -5.318 423 2HB ALA 52 2HB ALA 52 -3.794 4.232 -6.607 424 3HB ALA 52 3HB ALA 52 -4.536 4.469 -5.016 425 H LEU 53 H LEU 53 -3.953 0.770 -6.047 426 HA LEU 53 HA LEU 53 -3.294 0.407 -8.784 427 1HB LEU 53 1HB LEU 53 -3.370 -1.564 -6.474 428 2HB LEU 53 2HB LEU 53 -2.684 -1.943 -8.043 429 HG LEU 53 HG LEU 53 -1.673 0.331 -6.284 430 1HD1 LEU 53 1HD1 LEU 53 0.152 -1.212 -5.658 431 2HD1 LEU 53 2HD1 LEU 53 -1.421 -1.802 -5.111 432 3HD1 LEU 53 3HD1 LEU 53 -0.654 -2.535 -6.537 433 1HD2 LEU 53 1HD2 LEU 53 0.309 0.317 -7.616 434 2HD2 LEU 53 2HD2 LEU 53 -0.200 -1.113 -8.506 435 3HD2 LEU 53 3HD2 LEU 53 -1.049 0.434 -8.737 436 H GLN 54 H GLN 54 -5.940 -1.054 -6.831 437 HA GLN 54 HA GLN 54 -6.929 -2.619 -8.983 438 1HB GLN 54 1HB GLN 54 -8.622 -1.492 -6.704 439 2HB GLN 54 2HB GLN 54 -9.035 -2.820 -7.772 440 1HG GLN 54 1HG GLN 54 -7.328 -2.807 -5.353 441 2HG GLN 54 2HG GLN 54 -8.461 -3.996 -5.924 442 1HE2 GLN 54 2HE2 GLN 54 -5.139 -3.102 -5.766 443 2HE2 GLN 54 1HE2 GLN 54 -4.473 -4.424 -6.735 444 H SER 55 H SER 55 -7.854 0.658 -7.920 445 HA SER 55 HA SER 55 -10.027 1.001 -9.715 446 1HB SER 55 1HB SER 55 -8.113 3.117 -8.635 447 2HB SER 55 2HB SER 55 -9.738 3.400 -9.290 448 HG SER 55 HG SER 55 -8.990 2.008 -6.925 449 H PHE 56 H PHE 56 -6.527 1.717 -10.102 450 HA PHE 56 HA PHE 56 -6.656 2.675 -12.768 451 1HB PHE 56 1HB PHE 56 -4.704 3.027 -11.427 452 2HB PHE 56 2HB PHE 56 -4.497 1.296 -11.140 453 HD1 PHE 56 HD1 PHE 56 -4.129 4.014 -13.637 454 HD2 PHE 56 HD2 PHE 56 -3.664 -0.214 -12.855 455 HE1 PHE 56 HE1 PHE 56 -2.991 3.716 -15.815 456 HE2 PHE 56 HE2 PHE 56 -2.478 -0.474 -15.017 457 HZ PHE 56 HZ PHE 56 -2.188 1.473 -16.510 458 H VAL 57 H VAL 57 -6.161 -0.740 -11.520 459 HA VAL 57 HA VAL 57 -5.891 -1.884 -14.081 460 HB VAL 57 HB VAL 57 -6.935 -3.001 -11.446 461 1HG1 VAL 57 1HG1 VAL 57 -6.349 -4.569 -13.994 462 2HG1 VAL 57 2HG1 VAL 57 -6.577 -5.281 -12.379 463 3HG1 VAL 57 3HG1 VAL 57 -7.915 -4.440 -13.163 464 1HG2 VAL 57 1HG2 VAL 57 -4.346 -3.618 -12.913 465 2HG2 VAL 57 2HG2 VAL 57 -4.460 -2.343 -11.695 466 3HG2 VAL 57 3HG2 VAL 57 -4.773 -4.018 -11.237 467 H GLU 58 H GLU 58 -8.909 -1.161 -12.224 468 HA GLU 58 HA GLU 58 -10.673 -2.245 -14.168 469 1HB GLU 58 1HB GLU 58 -11.046 -0.002 -12.144 470 2HB GLU 58 2HB GLU 58 -12.353 -0.643 -13.131 471 1HG GLU 58 1HG GLU 58 -10.692 -2.313 -11.196 472 2HG GLU 58 2HG GLU 58 -12.237 -1.576 -10.809 473 H ALA 59 H ALA 59 -9.227 1.004 -13.872 474 HA ALA 59 HA ALA 59 -10.583 2.231 -16.063 475 1HB ALA 59 1HB ALA 59 -8.821 3.883 -15.981 476 2HB ALA 59 2HB ALA 59 -9.229 3.420 -14.311 477 3HB ALA 59 3HB ALA 59 -7.754 2.807 -15.071 478 H VAL 60 H VAL 60 -7.564 0.259 -16.024 479 HA VAL 60 HA VAL 60 -7.105 0.550 -18.864 480 HB VAL 60 HB VAL 60 -6.232 -1.746 -17.030 481 1HG1 VAL 60 1HG1 VAL 60 -4.427 -2.085 -18.635 482 2HG1 VAL 60 2HG1 VAL 60 -5.983 -2.249 -19.459 483 3HG1 VAL 60 3HG1 VAL 60 -5.027 -0.760 -19.651 484 1HG2 VAL 60 1HG2 VAL 60 -4.862 0.902 -17.690 485 2HG2 VAL 60 2HG2 VAL 60 -5.341 0.306 -16.092 486 3HG2 VAL 60 3HG2 VAL 60 -4.050 -0.502 -16.956 487 H LYS 61 H LYS 61 -8.597 -2.097 -16.893 488 HA LYS 61 HA LYS 61 -9.135 -3.789 -19.061 489 1HB LYS 61 1HB LYS 61 -9.032 -4.397 -16.664 490 2HB LYS 61 2HB LYS 61 -10.571 -3.601 -16.366 491 1HG LYS 61 1HG LYS 61 -10.395 -5.793 -18.458 492 2HG LYS 61 2HG LYS 61 -10.349 -6.218 -16.748 493 1HD LYS 61 1HD LYS 61 -12.528 -5.116 -16.359 494 2HD LYS 61 2HD LYS 61 -12.602 -4.631 -18.051 495 1HE LYS 61 1HE LYS 61 -13.979 -6.549 -17.843 496 2HE LYS 61 2HE LYS 61 -12.540 -7.032 -18.742 497 1HZ LYS 61 1HZ LYS 61 -11.691 -8.037 -16.691 498 2HZ LYS 61 2HZ LYS 61 -13.018 -7.557 -15.858 499 3HZ LYS 61 3HZ LYS 61 -13.153 -8.652 -17.053 500 H ASN 62 H ASN 62 -11.193 -1.229 -17.642 501 HA ASN 62 HA ASN 62 -13.548 -1.815 -19.107 502 1HB ASN 62 1HB ASN 62 -13.457 -0.306 -17.141 503 2HB ASN 62 2HB ASN 62 -12.521 0.863 -18.077 504 1HD2 ASN 62 2HD2 ASN 62 -13.751 2.498 -18.984 505 2HD2 ASN 62 1HD2 ASN 62 -15.453 2.358 -19.389 506 H GLY 63 H GLY 63 -10.525 -0.314 -20.196 507 1HA GLY 63 1HA GLY 63 -9.927 0.628 -22.183 508 2HA GLY 63 2HA GLY 63 -11.293 -0.250 -22.908 509 H SER 64 H SER 64 -11.334 2.305 -20.391 510 HA SER 64 HA SER 64 -13.624 3.526 -21.171 511 1HB SER 64 1HB SER 64 -11.294 4.984 -19.888 512 2HB SER 64 2HB SER 64 -13.026 5.262 -19.650 513 HG SER 64 HG SER 64 -11.986 4.017 -17.972 514 HA PRO 65 HA PRO 65 -11.505 7.083 -23.378 515 1HB PRO 65 1HB PRO 65 -9.069 6.906 -24.638 516 2HB PRO 65 2HB PRO 65 -9.273 7.272 -22.899 517 1HG PRO 65 1HG PRO 65 -8.651 4.593 -24.174 518 2HG PRO 65 2HG PRO 65 -7.863 5.358 -22.771 519 1HD PRO 65 1HD PRO 65 -9.797 3.485 -22.487 520 2HD PRO 65 2HD PRO 65 -9.700 4.842 -21.346 521 H PHE 66 H PHE 66 -10.413 4.158 -25.142 522 HA PHE 66 HA PHE 66 -12.257 4.120 -27.247 523 1HB PHE 66 1HB PHE 66 -11.359 6.171 -28.167 524 2HB PHE 66 2HB PHE 66 -9.709 5.697 -27.815 525 HD1 PHE 66 HD1 PHE 66 -8.424 4.322 -29.356 526 HD2 PHE 66 HD2 PHE 66 -12.619 5.082 -30.058 527 HE1 PHE 66 HE1 PHE 66 -8.189 3.501 -31.680 528 HE2 PHE 66 HE2 PHE 66 -12.381 4.215 -32.372 529 HZ PHE 66 HZ PHE 66 -10.166 3.431 -33.190 530 H SER 67 H SER 67 -8.687 3.962 -26.799 531 HA SER 67 HA SER 67 -8.218 1.375 -27.761 532 1HB SER 67 1HB SER 67 -6.840 2.912 -25.531 533 2HB SER 67 2HB SER 67 -6.104 1.644 -26.510 534 HG SER 67 HG SER 67 -5.607 3.808 -27.241 535 H LYS 68 H LYS 68 -8.137 -0.656 -26.663 536 HA LYS 68 HA LYS 68 -9.214 -0.900 -23.972 537 1HB LYS 68 1HB LYS 68 -11.227 -2.178 -24.643 538 2HB LYS 68 2HB LYS 68 -11.264 -0.497 -25.130 539 1HG LYS 68 1HG LYS 68 -12.194 -1.548 -26.914 540 2HG LYS 68 2HG LYS 68 -10.553 -1.247 -27.470 541 1HD LYS 68 1HD LYS 68 -9.962 -3.603 -27.101 542 2HD LYS 68 2HD LYS 68 -11.524 -3.924 -26.346 543 1HE LYS 68 1HE LYS 68 -11.121 -3.027 -29.238 544 2HE LYS 68 2HE LYS 68 -11.281 -4.709 -28.731 545 1HZ LYS 68 1HZ LYS 68 -13.502 -4.196 -27.899 546 2HZ LYS 68 2HZ LYS 68 -13.376 -2.640 -28.394 547 3HZ LYS 68 3HZ LYS 68 -13.387 -3.849 -29.484 548 H VAL 69 H VAL 69 -9.247 -3.141 -23.227 549 HA VAL 69 HA VAL 69 -7.114 -4.710 -24.529 550 HB VAL 69 HB VAL 69 -7.000 -5.976 -22.527 551 1HG1 VAL 69 1HG1 VAL 69 -6.366 -4.323 -20.892 552 2HG1 VAL 69 2HG1 VAL 69 -5.949 -3.705 -22.498 553 3HG1 VAL 69 3HG1 VAL 69 -7.375 -3.079 -21.648 554 1HG2 VAL 69 1HG2 VAL 69 -8.427 -5.608 -20.543 555 2HG2 VAL 69 2HG2 VAL 69 -9.477 -4.534 -21.497 556 3HG2 VAL 69 3HG2 VAL 69 -9.342 -6.260 -21.898 557 H THR 70 H THR 70 -7.447 -6.914 -25.110 558 HA THR 70 HA THR 70 -10.201 -7.996 -24.852 559 HB THR 70 HB THR 70 -9.656 -9.469 -26.807 560 HG1 THR 70 HG1 THR 70 -7.478 -9.316 -27.020 561 1HG2 THR 70 1HG2 THR 70 -11.059 -7.426 -27.071 562 2HG2 THR 70 2HG2 THR 70 -9.601 -6.484 -27.454 563 3HG2 THR 70 3HG2 THR 70 -10.120 -7.802 -28.526 564 H ASP 71 H ASP 71 -6.819 -8.169 -23.996 565 HA ASP 71 HA ASP 71 -7.528 -10.303 -22.124 566 1HB ASP 71 1HB ASP 71 -6.480 -11.591 -23.945 567 2HB ASP 71 2HB ASP 71 -5.120 -10.464 -23.993 568 H ILE 72 H ILE 72 -6.459 -10.004 -20.182 569 HA ILE 72 HA ILE 72 -4.297 -8.036 -19.972 570 HB ILE 72 HB ILE 72 -6.195 -6.655 -19.567 571 1HG1 ILE 72 1HG1 ILE 72 -5.229 -7.418 -16.784 572 2HG1 ILE 72 2HG1 ILE 72 -4.197 -6.600 -17.949 573 1HG2 ILE 72 1HG2 ILE 72 -7.970 -8.306 -19.169 574 2HG2 ILE 72 2HG2 ILE 72 -7.288 -8.672 -17.569 575 3HG2 ILE 72 3HG2 ILE 72 -7.964 -7.072 -17.921 576 1HD1 ILE 72 1HD1 ILE 72 -5.135 -4.943 -16.471 577 2HD1 ILE 72 2HD1 ILE 72 -5.862 -4.713 -18.069 578 3HD1 ILE 72 3HD1 ILE 72 -6.785 -5.505 -16.770 579 H SER 73 H SER 73 -2.781 -8.703 -18.544 580 HA SER 73 HA SER 73 -3.360 -10.984 -16.719 581 1HB SER 73 1HB SER 73 -0.956 -10.632 -18.573 582 2HB SER 73 2HB SER 73 -1.137 -11.897 -17.346 583 HG SER 73 HG SER 73 -2.805 -11.484 -19.623 584 H VAL 74 H VAL 74 -2.281 -10.778 -14.734 585 HA VAL 74 HA VAL 74 -0.793 -8.257 -14.243 586 HB VAL 74 HB VAL 74 -3.250 -9.199 -12.690 587 1HG1 VAL 74 1HG1 VAL 74 -1.527 -6.697 -12.424 588 2HG1 VAL 74 2HG1 VAL 74 -3.113 -6.902 -11.650 589 3HG1 VAL 74 3HG1 VAL 74 -1.785 -7.970 -11.220 590 1HG2 VAL 74 1HG2 VAL 74 -4.373 -7.129 -13.589 591 2HG2 VAL 74 2HG2 VAL 74 -3.046 -6.982 -14.762 592 3HG2 VAL 74 3HG2 VAL 74 -4.109 -8.400 -14.777 593 H THR 75 H THR 75 0.616 -8.382 -12.547 594 HA THR 75 HA THR 75 0.476 -10.642 -10.648 595 HB THR 75 HB THR 75 3.061 -9.417 -11.731 596 HG1 THR 75 HG1 THR 75 2.072 -10.747 -13.273 597 1HG2 THR 75 1HG2 THR 75 3.285 -10.251 -9.426 598 2HG2 THR 75 2HG2 THR 75 2.576 -11.812 -9.897 599 3HG2 THR 75 3HG2 THR 75 4.154 -11.308 -10.546 600 H GLU 76 H GLU 76 0.695 -9.770 -8.478 601 HA GLU 76 HA GLU 76 1.215 -6.882 -8.243 602 1HB GLU 76 1HB GLU 76 -1.248 -7.228 -8.744 603 2HB GLU 76 2HB GLU 76 -1.363 -8.164 -7.245 604 1HG GLU 76 1HG GLU 76 -0.531 -6.133 -5.991 605 2HG GLU 76 2HG GLU 76 -0.505 -5.251 -7.527 606 H SER 77 H SER 77 2.153 -6.387 -6.333 607 HA SER 77 HA SER 77 2.718 -8.633 -4.466 608 1HB SER 77 1HB SER 77 4.728 -6.844 -5.898 609 2HB SER 77 2HB SER 77 5.105 -8.147 -4.757 610 HG SER 77 HG SER 77 5.306 -8.805 -6.948 611 H ARG 78 H ARG 78 3.641 -7.972 -2.447 612 HA ARG 78 HA ARG 78 2.883 -5.267 -1.541 613 1HB ARG 78 1HB ARG 78 3.865 -7.803 -0.184 614 2HB ARG 78 2HB ARG 78 3.884 -6.262 0.656 615 1HG ARG 78 1HG ARG 78 1.874 -7.547 1.204 616 2HG ARG 78 2HG ARG 78 1.516 -5.981 0.495 617 1HD ARG 78 1HD ARG 78 -0.038 -7.683 -0.298 618 2HD ARG 78 2HD ARG 78 0.906 -6.996 -1.620 619 HE ARG 78 HE ARG 78 1.890 -9.511 -0.415 620 1HH1 ARG 78 1HH2 ARG 78 -0.108 -8.145 -3.023 621 2HH1 ARG 78 2HH2 ARG 78 0.330 -9.358 -4.183 622 1HH2 ARG 78 1HH1 ARG 78 2.259 -11.252 -1.887 623 2HH2 ARG 78 2HH1 ARG 78 1.528 -11.247 -3.446 624 H SER 79 H SER 79 5.571 -6.623 -3.096 625 HA SER 79 HA SER 79 7.654 -4.931 -2.207 626 1HB SER 79 1HB SER 79 7.057 -5.727 -5.077 627 2HB SER 79 2HB SER 79 8.635 -5.471 -4.314 628 HG SER 79 HG SER 79 8.202 -7.686 -4.537 629 H LEU 80 H LEU 80 8.407 -3.021 -3.494 630 HA LEU 80 HA LEU 80 6.700 -1.685 -5.325 631 1HB LEU 80 1HB LEU 80 6.680 0.500 -4.191 632 2HB LEU 80 2HB LEU 80 5.604 -0.660 -3.457 633 HG LEU 80 HG LEU 80 8.386 -0.288 -2.288 634 1HD1 LEU 80 1HD1 LEU 80 7.591 1.553 -0.895 635 2HD1 LEU 80 2HD1 LEU 80 7.488 1.996 -2.604 636 3HD1 LEU 80 3HD1 LEU 80 6.020 1.533 -1.722 637 1HD2 LEU 80 1HD2 LEU 80 7.064 -0.687 -0.146 638 2HD2 LEU 80 2HD2 LEU 80 5.630 -1.000 -1.161 639 3HD2 LEU 80 3HD2 LEU 80 7.046 -2.049 -1.257 640 H GLU 81 H GLU 81 7.903 0.309 -6.184 641 HA GLU 81 HA GLU 81 10.573 -0.681 -6.772 642 1HB GLU 81 1HB GLU 81 9.110 1.810 -7.771 643 2HB GLU 81 2HB GLU 81 10.570 1.107 -8.460 644 1HG GLU 81 1HG GLU 81 7.779 -0.116 -8.436 645 2HG GLU 81 2HG GLU 81 8.662 0.502 -9.825 646 H GLY 82 H GLY 82 9.169 1.993 -4.942 647 1HA GLY 82 1HA GLY 82 10.184 3.555 -3.525 648 2HA GLY 82 2HA GLY 82 11.800 2.959 -3.965 649 H HIS 83 H HIS 83 8.897 4.069 -5.783 650 HA HIS 83 HA HIS 83 10.112 4.930 -8.060 651 1HB HIS 83 1HB HIS 83 8.143 6.012 -8.646 652 2HB HIS 83 2HB HIS 83 7.628 4.735 -7.567 653 HD1 HIS 83 HD1 HIS 83 6.736 5.635 -5.056 654 HD2 HIS 83 HD2 HIS 83 7.668 8.530 -7.981 655 HE1 HIS 83 HE1 HIS 83 5.757 7.835 -4.238 656 H HIS 84 H HIS 84 10.778 6.865 -8.994 657 HA HIS 84 HA HIS 84 10.841 9.343 -7.358 658 1HB HIS 84 1HB HIS 84 13.128 8.256 -9.057 659 2HB HIS 84 2HB HIS 84 13.052 9.898 -8.433 660 HD1 HIS 84 HD1 HIS 84 13.241 10.160 -5.683 661 HD2 HIS 84 HD2 HIS 84 14.048 6.395 -7.389 662 HE1 HIS 84 HE1 HIS 84 14.494 8.830 -3.914 663 H ARG 85 H ARG 85 9.648 7.816 -10.106 664 HA ARG 85 HA ARG 85 9.000 10.272 -11.479 665 1HB ARG 85 1HB ARG 85 10.032 9.581 -13.644 666 2HB ARG 85 2HB ARG 85 11.236 9.943 -12.416 667 1HG ARG 85 1HG ARG 85 11.564 7.516 -11.997 668 2HG ARG 85 2HG ARG 85 10.351 7.133 -13.231 669 1HD ARG 85 1HD ARG 85 11.751 8.132 -14.975 670 2HD ARG 85 2HD ARG 85 12.876 8.747 -13.764 671 HE ARG 85 HE ARG 85 13.871 6.717 -13.563 672 1HH1 ARG 85 1HH2 ARG 85 10.883 6.231 -15.449 673 2HH1 ARG 85 2HH2 ARG 85 11.274 4.596 -15.863 674 1HH2 ARG 85 1HH1 ARG 85 14.364 4.561 -14.128 675 2HH2 ARG 85 2HH1 ARG 85 13.290 3.634 -15.103 676 H PHE 86 H PHE 86 7.703 9.638 -13.527 677 HA PHE 86 HA PHE 86 6.853 6.888 -13.637 678 1HB PHE 86 1HB PHE 86 4.499 7.284 -13.767 679 2HB PHE 86 2HB PHE 86 5.077 7.926 -12.242 680 HD1 PHE 86 HD1 PHE 86 3.053 8.592 -15.087 681 HD2 PHE 86 HD2 PHE 86 5.543 10.525 -12.137 682 HE1 PHE 86 HE1 PHE 86 1.890 10.742 -15.504 683 HE2 PHE 86 HE2 PHE 86 4.388 12.673 -12.576 684 HZ PHE 86 HZ PHE 86 2.560 12.787 -14.260 685 H SER 87 H SER 87 6.432 6.321 -15.829 686 HA SER 87 HA SER 87 7.576 8.334 -17.718 687 1HB SER 87 1HB SER 87 8.806 5.661 -16.938 688 2HB SER 87 2HB SER 87 9.497 6.864 -18.039 689 HG SER 87 HG SER 87 9.570 8.316 -16.237 690 H ILE 88 H ILE 88 7.734 7.713 -19.888 691 HA ILE 88 HA ILE 88 6.012 5.437 -20.734 692 HB ILE 88 HB ILE 88 6.226 8.175 -22.066 693 1HG1 ILE 88 1HG1 ILE 88 3.944 7.008 -20.416 694 2HG1 ILE 88 2HG1 ILE 88 4.934 8.403 -19.987 695 1HG2 ILE 88 1HG2 ILE 88 4.479 7.304 -23.559 696 2HG2 ILE 88 2HG2 ILE 88 5.848 6.209 -23.578 697 3HG2 ILE 88 3HG2 ILE 88 4.415 5.793 -22.612 698 1HD1 ILE 88 1HD1 ILE 88 2.910 8.246 -22.253 699 2HD1 ILE 88 2HD1 ILE 88 2.830 9.211 -20.774 700 3HD1 ILE 88 3HD1 ILE 88 4.040 9.602 -22.013 701 H VAL 89 H VAL 89 7.312 3.988 -21.651 702 HA VAL 89 HA VAL 89 9.821 4.728 -23.015 703 HB VAL 89 HB VAL 89 8.366 2.053 -22.880 704 1HG1 VAL 89 1HG1 VAL 89 10.601 1.109 -23.404 705 2HG1 VAL 89 2HG1 VAL 89 10.026 2.178 -24.683 706 3HG1 VAL 89 3HG1 VAL 89 11.260 2.752 -23.535 707 1HG2 VAL 89 1HG2 VAL 89 10.546 3.091 -21.019 708 2HG2 VAL 89 2HG2 VAL 89 8.882 2.655 -20.567 709 3HG2 VAL 89 3HG2 VAL 89 9.995 1.403 -21.100 710 H TYR 90 H TYR 90 9.821 5.090 -25.242 711 HA TYR 90 HA TYR 90 7.154 5.312 -26.499 712 1HB TYR 90 1HB TYR 90 9.805 6.615 -27.197 713 2HB TYR 90 2HB TYR 90 8.259 6.946 -27.967 714 HD1 TYR 90 HD1 TYR 90 6.274 7.665 -26.356 715 HD2 TYR 90 HD2 TYR 90 10.473 8.052 -25.427 716 HE1 TYR 90 HE1 TYR 90 5.739 9.409 -24.682 717 HE2 TYR 90 HE2 TYR 90 9.949 9.797 -23.757 718 HH TYR 90 HH TYR 90 8.271 11.044 -22.720 719 H SER 91 H SER 91 8.426 2.667 -26.392 720 HA SER 91 HA SER 91 9.637 1.932 -28.837 721 1HB SER 91 1HB SER 91 8.438 -0.330 -28.140 722 2HB SER 91 2HB SER 91 9.855 0.285 -27.288 723 HG SER 91 HG SER 91 7.994 -0.451 -26.043 Start of MODEL 6 1 1H MET 1 1H MET 1 1.609 -0.062 2.318 2 2H MET 1 2H MET 1 1.381 -1.611 1.827 3 3H MET 1 3H MET 1 2.885 -0.989 1.848 4 HA MET 1 HA MET 1 0.690 -0.078 0.115 5 1HB MET 1 1HB MET 1 3.598 0.806 0.292 6 2HB MET 1 2HB MET 1 2.589 1.063 -1.130 7 1HG MET 1 1HG MET 1 0.937 2.311 0.218 8 2HG MET 1 2HG MET 1 2.004 2.162 1.623 9 1HE MET 1 1HE MET 1 2.821 4.629 -2.213 10 2HE MET 1 2HE MET 1 2.761 2.850 -2.248 11 3HE MET 1 3HE MET 1 1.317 3.772 -1.802 12 H LEU 2 H LEU 2 1.947 -0.313 -2.385 13 HA LEU 2 HA LEU 2 2.437 -3.199 -2.663 14 1HB LEU 2 1HB LEU 2 -0.137 -2.143 -2.395 15 2HB LEU 2 2HB LEU 2 0.141 -1.997 -4.092 16 HG LEU 2 HG LEU 2 1.006 -4.576 -3.754 17 1HD1 LEU 2 1HD1 LEU 2 -0.522 -5.706 -2.268 18 2HD1 LEU 2 2HD1 LEU 2 0.552 -4.587 -1.388 19 3HD1 LEU 2 3HD1 LEU 2 -1.156 -4.160 -1.684 20 1HD2 LEU 2 1HD2 LEU 2 -1.876 -3.694 -4.189 21 2HD2 LEU 2 2HD2 LEU 2 -0.632 -3.883 -5.442 22 3HD2 LEU 2 3HD2 LEU 2 -1.219 -5.299 -4.562 23 H GLN 3 H GLN 3 2.213 -3.777 -5.058 24 HA GLN 3 HA GLN 3 2.852 -1.711 -7.029 25 1HB GLN 3 1HB GLN 3 4.992 -2.652 -5.971 26 2HB GLN 3 2HB GLN 3 4.498 -4.239 -6.562 27 1HG GLN 3 1HG GLN 3 4.496 -2.938 -8.917 28 2HG GLN 3 2HG GLN 3 5.579 -1.859 -8.048 29 1HE2 GLN 3 2HE2 GLN 3 7.082 -3.726 -6.462 30 2HE2 GLN 3 1HE2 GLN 3 7.982 -4.723 -7.589 31 H TYR 4 H TYR 4 2.362 -2.503 -9.194 32 HA TYR 4 HA TYR 4 1.464 -5.306 -9.398 33 1HB TYR 4 1HB TYR 4 -0.219 -4.783 -11.101 34 2HB TYR 4 2HB TYR 4 -0.618 -4.167 -9.520 35 HD1 TYR 4 HD1 TYR 4 -2.060 -2.400 -9.862 36 HD2 TYR 4 HD2 TYR 4 1.378 -2.650 -12.450 37 HE1 TYR 4 HE1 TYR 4 -2.447 -0.082 -10.635 38 HE2 TYR 4 HE2 TYR 4 1.029 -0.340 -13.167 39 HH TYR 4 HH TYR 4 -0.188 1.630 -12.815 40 H ARG 5 H ARG 5 1.632 -6.140 -11.565 41 HA ARG 5 HA ARG 5 3.043 -4.483 -13.535 42 1HB ARG 5 1HB ARG 5 4.803 -5.986 -12.569 43 2HB ARG 5 2HB ARG 5 3.826 -7.388 -13.026 44 1HG ARG 5 1HG ARG 5 4.044 -6.770 -15.421 45 2HG ARG 5 2HG ARG 5 4.960 -5.314 -14.974 46 1HD ARG 5 1HD ARG 5 6.727 -6.723 -13.969 47 2HD ARG 5 2HD ARG 5 5.776 -8.174 -14.326 48 HE ARG 5 HE ARG 5 6.585 -6.430 -16.603 49 1HH1 ARG 5 1HH2 ARG 5 7.410 -9.321 -14.708 50 2HH1 ARG 5 2HH2 ARG 5 8.260 -10.083 -16.000 51 1HH2 ARG 5 1HH1 ARG 5 7.513 -7.506 -18.347 52 2HH2 ARG 5 2HH1 ARG 5 8.405 -8.984 -18.102 53 H ILE 6 H ILE 6 2.082 -4.815 -15.573 54 HA ILE 6 HA ILE 6 -0.160 -6.748 -15.740 55 HB ILE 6 HB ILE 6 -0.471 -3.940 -16.802 56 1HG1 ILE 6 1HG1 ILE 6 -0.947 -4.634 -13.886 57 2HG1 ILE 6 2HG1 ILE 6 0.078 -3.370 -14.553 58 1HG2 ILE 6 1HG2 ILE 6 -2.028 -5.823 -17.403 59 2HG2 ILE 6 2HG2 ILE 6 -2.527 -5.893 -15.705 60 3HG2 ILE 6 3HG2 ILE 6 -2.828 -4.438 -16.683 61 1HD1 ILE 6 1HD1 ILE 6 -2.957 -3.432 -14.626 62 2HD1 ILE 6 2HD1 ILE 6 -1.923 -2.368 -13.664 63 3HD1 ILE 6 3HD1 ILE 6 -1.944 -2.208 -15.430 64 H ILE 7 H ILE 7 -0.459 -7.484 -17.863 65 HA ILE 7 HA ILE 7 1.176 -6.264 -20.002 66 HB ILE 7 HB ILE 7 0.661 -9.041 -20.577 67 1HG1 ILE 7 1HG1 ILE 7 0.937 -9.446 -18.082 68 2HG1 ILE 7 2HG1 ILE 7 2.004 -10.314 -19.158 69 1HG2 ILE 7 1HG2 ILE 7 2.208 -7.634 -21.755 70 2HG2 ILE 7 2HG2 ILE 7 3.256 -7.501 -20.349 71 3HG2 ILE 7 3HG2 ILE 7 3.022 -9.080 -21.147 72 1HD1 ILE 7 1HD1 ILE 7 3.162 -9.488 -17.128 73 2HD1 ILE 7 2HD1 ILE 7 3.895 -8.879 -18.619 74 3HD1 ILE 7 3HD1 ILE 7 2.867 -7.817 -17.638 75 H VAL 8 H VAL 8 -0.005 -6.012 -21.910 76 HA VAL 8 HA VAL 8 -2.885 -6.736 -21.856 77 HB VAL 8 HB VAL 8 -3.006 -4.107 -22.542 78 1HG1 VAL 8 1HG1 VAL 8 -3.843 -3.656 -20.312 79 2HG1 VAL 8 2HG1 VAL 8 -4.303 -5.307 -20.766 80 3HG1 VAL 8 3HG1 VAL 8 -2.955 -5.043 -19.642 81 1HG2 VAL 8 1HG2 VAL 8 -0.889 -4.009 -20.377 82 2HG2 VAL 8 2HG2 VAL 8 -0.603 -3.737 -22.106 83 3HG2 VAL 8 3HG2 VAL 8 -1.699 -2.670 -21.218 84 H ASP 9 H ASP 9 -3.880 -6.815 -23.838 85 HA ASP 9 HA ASP 9 -2.450 -5.905 -26.248 86 1HB ASP 9 1HB ASP 9 -1.749 -8.245 -26.016 87 2HB ASP 9 2HB ASP 9 -3.428 -8.755 -25.827 88 H GLY 10 H GLY 10 -3.957 -5.650 -28.033 89 1HA GLY 10 1HA GLY 10 -6.594 -5.875 -28.390 90 2HA GLY 10 2HA GLY 10 -6.536 -4.724 -27.034 91 H ARG 11 H ARG 11 -7.361 -3.088 -28.511 92 HA ARG 11 HA ARG 11 -5.299 -1.932 -30.307 93 1HB ARG 11 1HB ARG 11 -7.725 -1.684 -30.962 94 2HB ARG 11 2HB ARG 11 -8.009 -0.793 -29.477 95 1HG ARG 11 1HG ARG 11 -7.790 0.771 -31.286 96 2HG ARG 11 2HG ARG 11 -6.425 0.975 -30.201 97 1HD ARG 11 1HD ARG 11 -5.700 1.122 -32.539 98 2HD ARG 11 2HD ARG 11 -4.960 -0.263 -31.757 99 HE ARG 11 HE ARG 11 -6.102 -1.706 -33.131 100 1HH1 ARG 11 1HH2 ARG 11 -7.456 1.548 -33.608 101 2HH1 ARG 11 2HH2 ARG 11 -8.382 1.107 -34.992 102 1HH2 ARG 11 1HH1 ARG 11 -7.340 -2.286 -34.968 103 2HH2 ARG 11 2HH1 ARG 11 -8.309 -1.119 -35.781 104 H VAL 12 H VAL 12 -3.797 -2.140 -28.485 105 HA VAL 12 HA VAL 12 -4.301 -0.344 -26.180 106 HB VAL 12 HB VAL 12 -2.406 -1.591 -25.126 107 1HG1 VAL 12 1HG1 VAL 12 -3.760 -3.564 -24.629 108 2HG1 VAL 12 2HG1 VAL 12 -4.733 -2.079 -24.652 109 3HG1 VAL 12 3HG1 VAL 12 -4.818 -3.206 -26.013 110 1HG2 VAL 12 1HG2 VAL 12 -2.674 -3.587 -27.416 111 2HG2 VAL 12 2HG2 VAL 12 -1.314 -2.467 -27.224 112 3HG2 VAL 12 3HG2 VAL 12 -1.620 -3.694 -25.993 113 H GLN 13 H GLN 13 -3.518 0.660 -28.883 114 HA GLN 13 HA GLN 13 -1.544 2.521 -27.733 115 1HB GLN 13 1HB GLN 13 -1.327 1.438 -30.576 116 2HB GLN 13 2HB GLN 13 -0.457 2.842 -29.955 117 1HG GLN 13 1HG GLN 13 -0.140 0.015 -28.844 118 2HG GLN 13 2HG GLN 13 0.858 0.701 -30.111 119 1HE2 GLN 13 2HE2 GLN 13 0.166 0.805 -26.646 120 2HE2 GLN 13 1HE2 GLN 13 1.628 1.647 -26.203 121 H GLY 14 H GLY 14 -3.218 2.203 -30.921 122 1HA GLY 14 1HA GLY 14 -4.877 3.474 -31.872 123 2HA GLY 14 2HA GLY 14 -5.595 3.564 -30.260 124 H VAL 15 H VAL 15 -6.059 5.681 -29.896 125 HA VAL 15 HA VAL 15 -4.623 7.838 -31.139 126 HB VAL 15 HB VAL 15 -6.645 7.867 -28.875 127 1HG1 VAL 15 1HG1 VAL 15 -5.806 10.101 -30.768 128 2HG1 VAL 15 2HG1 VAL 15 -7.159 10.177 -29.618 129 3HG1 VAL 15 3HG1 VAL 15 -5.510 10.036 -29.016 130 1HG2 VAL 15 1HG2 VAL 15 -7.056 8.106 -31.888 131 2HG2 VAL 15 2HG2 VAL 15 -7.618 6.774 -30.855 132 3HG2 VAL 15 3HG2 VAL 15 -8.311 8.382 -30.662 133 H GLY 16 H GLY 16 -4.327 6.240 -27.927 134 1HA GLY 16 1HA GLY 16 -1.767 7.187 -27.372 135 2HA GLY 16 2HA GLY 16 -2.858 8.428 -26.741 136 H PHE 17 H PHE 17 -3.135 4.809 -26.732 137 HA PHE 17 HA PHE 17 -4.283 4.615 -24.183 138 1HB PHE 17 1HB PHE 17 -4.127 2.831 -25.929 139 2HB PHE 17 2HB PHE 17 -2.430 2.652 -25.553 140 HD1 PHE 17 HD1 PHE 17 -5.855 2.411 -23.981 141 HD2 PHE 17 HD2 PHE 17 -1.745 1.093 -23.905 142 HE1 PHE 17 HE1 PHE 17 -6.466 0.591 -22.421 143 HE2 PHE 17 HE2 PHE 17 -2.364 -0.708 -22.321 144 HZ PHE 17 HZ PHE 17 -4.726 -0.999 -21.620 145 H ARG 18 H ARG 18 -0.793 4.601 -25.060 146 HA ARG 18 HA ARG 18 0.239 4.071 -22.458 147 1HB ARG 18 1HB ARG 18 1.338 5.471 -24.925 148 2HB ARG 18 2HB ARG 18 2.234 5.510 -23.400 149 1HG ARG 18 1HG ARG 18 2.231 3.067 -23.283 150 2HG ARG 18 2HG ARG 18 1.341 2.960 -24.795 151 1HD ARG 18 1HD ARG 18 4.096 4.269 -24.535 152 2HD ARG 18 2HD ARG 18 3.868 2.570 -24.885 153 HE ARG 18 HE ARG 18 2.950 3.045 -27.008 154 1HH1 ARG 18 1HH2 ARG 18 4.078 6.064 -25.489 155 2HH1 ARG 18 2HH2 ARG 18 4.123 6.913 -26.989 156 1HH2 ARG 18 1HH1 ARG 18 2.937 4.121 -28.863 157 2HH2 ARG 18 2HH1 ARG 18 3.461 5.776 -28.993 158 H TYR 19 H TYR 19 -0.632 7.217 -23.993 159 HA TYR 19 HA TYR 19 0.186 8.768 -21.712 160 1HB TYR 19 1HB TYR 19 -0.130 9.689 -24.006 161 2HB TYR 19 2HB TYR 19 -1.863 9.414 -23.873 162 HD1 TYR 19 HD1 TYR 19 -3.279 11.023 -22.787 163 HD2 TYR 19 HD2 TYR 19 1.010 11.272 -22.345 164 HE1 TYR 19 HE1 TYR 19 -3.515 13.256 -21.742 165 HE2 TYR 19 HE2 TYR 19 0.779 13.486 -21.268 166 HH TYR 19 HH TYR 19 -0.695 15.155 -20.573 167 H PHE 20 H PHE 20 -2.968 7.365 -22.771 168 HA PHE 20 HA PHE 20 -4.532 8.430 -20.722 169 1HB PHE 20 1HB PHE 20 -5.725 7.388 -22.465 170 2HB PHE 20 2HB PHE 20 -4.753 5.929 -22.397 171 HD1 PHE 20 HD1 PHE 20 -5.279 4.088 -20.949 172 HD2 PHE 20 HD2 PHE 20 -7.483 7.784 -20.644 173 HE1 PHE 20 HE1 PHE 20 -6.922 2.983 -19.451 174 HE2 PHE 20 HE2 PHE 20 -9.129 6.672 -19.156 175 HZ PHE 20 HZ PHE 20 -8.854 4.271 -18.560 176 H VAL 21 H VAL 21 -2.760 5.206 -20.603 177 HA VAL 21 HA VAL 21 -3.783 4.752 -18.007 178 HB VAL 21 HB VAL 21 -2.120 3.080 -17.748 179 1HG1 VAL 21 1HG1 VAL 21 -4.172 2.618 -19.059 180 2HG1 VAL 21 2HG1 VAL 21 -3.265 2.932 -20.555 181 3HG1 VAL 21 3HG1 VAL 21 -2.815 1.578 -19.511 182 1HG2 VAL 21 1HG2 VAL 21 -0.137 4.082 -18.823 183 2HG2 VAL 21 2HG2 VAL 21 -0.481 2.444 -19.384 184 3HG2 VAL 21 3HG2 VAL 21 -0.902 3.834 -20.411 185 H GLN 22 H GLN 22 -0.881 6.630 -19.061 186 HA GLN 22 HA GLN 22 -0.120 6.964 -16.270 187 1HB GLN 22 1HB GLN 22 0.848 8.471 -18.695 188 2HB GLN 22 2HB GLN 22 1.555 8.503 -17.079 189 1HG GLN 22 1HG GLN 22 1.510 6.168 -19.026 190 2HG GLN 22 2HG GLN 22 2.887 7.093 -18.470 191 1HE2 GLN 22 2HE2 GLN 22 4.165 5.435 -17.568 192 2HE2 GLN 22 1HE2 GLN 22 3.584 4.435 -16.246 193 H MET 23 H MET 23 -2.463 8.596 -18.267 194 HA MET 23 HA MET 23 -2.730 10.895 -16.479 195 1HB MET 23 1HB MET 23 -4.934 9.510 -18.067 196 2HB MET 23 2HB MET 23 -5.049 11.037 -17.219 197 1HG MET 23 1HG MET 23 -3.241 11.925 -18.765 198 2HG MET 23 2HG MET 23 -3.479 10.468 -19.737 199 1HE MET 23 1HE MET 23 -7.360 10.887 -20.705 200 2HE MET 23 2HE MET 23 -5.908 9.970 -21.126 201 3HE MET 23 3HE MET 23 -6.578 9.876 -19.474 202 H GLU 24 H GLU 24 -4.246 7.607 -16.675 203 HA GLU 24 HA GLU 24 -5.801 7.890 -14.296 204 1HB GLU 24 1HB GLU 24 -4.749 5.510 -15.912 205 2HB GLU 24 2HB GLU 24 -5.813 5.309 -14.547 206 1HG GLU 24 1HG GLU 24 -6.504 6.962 -17.033 207 2HG GLU 24 2HG GLU 24 -6.946 5.268 -16.774 208 H ALA 25 H ALA 25 -2.403 7.070 -14.802 209 HA ALA 25 HA ALA 25 -1.919 6.099 -12.133 210 1HB ALA 25 1HB ALA 25 -0.325 5.693 -14.020 211 2HB ALA 25 2HB ALA 25 -0.006 7.431 -14.116 212 3HB ALA 25 3HB ALA 25 0.462 6.531 -12.672 213 H ASP 26 H ASP 26 -1.308 9.246 -13.758 214 HA ASP 26 HA ASP 26 -0.406 10.704 -11.543 215 1HB ASP 26 1HB ASP 26 -0.184 11.497 -13.834 216 2HB ASP 26 2HB ASP 26 -1.932 11.603 -14.016 217 H LYS 27 H LYS 27 -3.712 10.194 -12.711 218 HA LYS 27 HA LYS 27 -5.238 11.839 -11.128 219 1HB LYS 27 1HB LYS 27 -5.935 10.208 -12.958 220 2HB LYS 27 2HB LYS 27 -5.809 8.911 -11.777 221 1HG LYS 27 1HG LYS 27 -7.479 10.836 -10.533 222 2HG LYS 27 2HG LYS 27 -7.911 10.927 -12.239 223 1HD LYS 27 1HD LYS 27 -7.767 8.354 -10.633 224 2HD LYS 27 2HD LYS 27 -9.263 9.278 -10.847 225 1HE LYS 27 1HE LYS 27 -7.582 8.057 -13.078 226 2HE LYS 27 2HE LYS 27 -9.033 7.328 -12.406 227 1HZ LYS 27 1HZ LYS 27 -9.373 8.530 -14.485 228 2HZ LYS 27 2HZ LYS 27 -10.346 9.098 -13.282 229 3HZ LYS 27 3HZ LYS 27 -9.035 9.959 -13.765 230 H ARG 28 H ARG 28 -3.735 8.786 -10.150 231 HA ARG 28 HA ARG 28 -4.660 9.177 -7.325 232 1HB ARG 28 1HB ARG 28 -4.131 6.723 -9.024 233 2HB ARG 28 2HB ARG 28 -4.112 6.624 -7.266 234 1HG ARG 28 1HG ARG 28 -6.361 7.167 -7.008 235 2HG ARG 28 2HG ARG 28 -6.511 7.856 -8.631 236 1HD ARG 28 1HD ARG 28 -6.011 4.909 -8.069 237 2HD ARG 28 2HD ARG 28 -7.609 5.617 -8.309 238 HE ARG 28 HE ARG 28 -5.410 5.754 -10.345 239 1HH1 ARG 28 1HH2 ARG 28 -8.883 5.219 -9.681 240 2HH1 ARG 28 2HH2 ARG 28 -9.259 4.917 -11.340 241 1HH2 ARG 28 1HH1 ARG 28 -5.957 5.611 -12.444 242 2HH2 ARG 28 2HH1 ARG 28 -7.583 5.337 -13.001 243 H LYS 29 H LYS 29 -2.174 10.215 -8.894 244 HA LYS 29 HA LYS 29 0.049 10.463 -8.648 245 1HB LYS 29 1HB LYS 29 -0.623 10.085 -5.704 246 2HB LYS 29 2HB LYS 29 0.851 10.819 -6.295 247 1HG LYS 29 1HG LYS 29 -1.805 12.074 -7.072 248 2HG LYS 29 2HG LYS 29 -1.198 12.244 -5.437 249 1HD LYS 29 1HD LYS 29 -0.495 14.178 -6.611 250 2HD LYS 29 2HD LYS 29 0.920 13.201 -6.271 251 1HE LYS 29 1HE LYS 29 1.186 14.065 -8.464 252 2HE LYS 29 2HE LYS 29 0.853 12.346 -8.647 253 1HZ LYS 29 1HZ LYS 29 -1.438 12.927 -9.249 254 2HZ LYS 29 2HZ LYS 29 -1.132 14.530 -9.003 255 3HZ LYS 29 3HZ LYS 29 -0.394 13.703 -10.213 256 H LEU 30 H LEU 30 -0.717 7.819 -9.309 257 HA LEU 30 HA LEU 30 1.047 5.931 -7.902 258 1HB LEU 30 1HB LEU 30 -0.408 5.782 -10.575 259 2HB LEU 30 2HB LEU 30 0.478 4.452 -9.845 260 HG LEU 30 HG LEU 30 -1.986 5.790 -8.639 261 1HD1 LEU 30 1HD1 LEU 30 -3.137 3.666 -9.205 262 2HD1 LEU 30 2HD1 LEU 30 -2.587 4.548 -10.632 263 3HD1 LEU 30 3HD1 LEU 30 -1.684 3.128 -10.081 264 1HD2 LEU 30 1HD2 LEU 30 -0.653 4.904 -6.849 265 2HD2 LEU 30 2HD2 LEU 30 -1.956 3.746 -7.137 266 3HD2 LEU 30 3HD2 LEU 30 -0.326 3.410 -7.756 267 H ALA 31 H ALA 31 2.973 5.008 -8.965 268 HA ALA 31 HA ALA 31 4.264 6.776 -10.984 269 1HB ALA 31 1HB ALA 31 5.438 5.978 -8.275 270 2HB ALA 31 2HB ALA 31 6.276 6.867 -9.560 271 3HB ALA 31 3HB ALA 31 4.902 7.614 -8.732 272 H GLY 32 H GLY 32 5.542 5.590 -12.425 273 1HA GLY 32 1HA GLY 32 6.492 2.950 -12.187 274 2HA GLY 32 2HA GLY 32 4.771 2.892 -12.613 275 H TRP 33 H TRP 33 5.905 1.791 -14.568 276 HA TRP 33 HA TRP 33 6.352 3.900 -16.625 277 1HB TRP 33 1HB TRP 33 7.789 2.477 -17.864 278 2HB TRP 33 2HB TRP 33 8.416 2.704 -16.252 279 HD1 TRP 33 HD1 TRP 33 6.110 -0.093 -17.762 280 HE1 TRP 33 HE1 TRP 33 7.116 -2.357 -17.237 281 HE3 TRP 33 HE3 TRP 33 10.305 1.460 -15.255 282 HZ2 TRP 33 HZ2 TRP 33 9.551 -3.395 -16.063 283 HZ3 TRP 33 HZ3 TRP 33 11.971 -0.202 -14.481 284 HH2 TRP 33 HH2 TRP 33 11.610 -2.630 -14.883 285 H VAL 34 H VAL 34 5.597 3.426 -18.758 286 HA VAL 34 HA VAL 34 4.020 0.942 -19.079 287 HB VAL 34 HB VAL 34 2.364 2.741 -18.888 288 1HG1 VAL 34 1HG1 VAL 34 3.683 4.638 -19.768 289 2HG1 VAL 34 2HG1 VAL 34 3.639 3.915 -21.387 290 3HG1 VAL 34 3HG1 VAL 34 2.138 4.457 -20.613 291 1HG2 VAL 34 1HG2 VAL 34 1.908 0.776 -20.276 292 2HG2 VAL 34 2HG2 VAL 34 1.150 2.210 -20.984 293 3HG2 VAL 34 3HG2 VAL 34 2.631 1.545 -21.685 294 H LYS 35 H LYS 35 4.378 -0.073 -21.009 295 HA LYS 35 HA LYS 35 6.690 0.838 -22.625 296 1HB LYS 35 1HB LYS 35 7.483 -0.281 -20.581 297 2HB LYS 35 2HB LYS 35 6.398 -1.634 -20.887 298 1HG LYS 35 1HG LYS 35 7.726 -2.318 -22.833 299 2HG LYS 35 2HG LYS 35 8.733 -0.867 -22.691 300 1HD LYS 35 1HD LYS 35 9.889 -2.828 -21.777 301 2HD LYS 35 2HD LYS 35 9.569 -1.638 -20.504 302 1HE LYS 35 1HE LYS 35 7.572 -2.948 -19.790 303 2HE LYS 35 2HE LYS 35 7.880 -4.130 -21.067 304 1HZ LYS 35 1HZ LYS 35 8.643 -4.798 -18.864 305 2HZ LYS 35 2HZ LYS 35 9.890 -4.767 -19.939 306 3HZ LYS 35 3HZ LYS 35 9.739 -3.574 -18.826 307 H ASN 36 H ASN 36 6.942 -0.507 -24.570 308 HA ASN 36 HA ASN 36 4.687 -2.376 -25.132 309 1HB ASN 36 1HB ASN 36 4.429 -0.445 -26.650 310 2HB ASN 36 2HB ASN 36 6.107 -0.633 -27.182 311 1HD2 ASN 36 2HD2 ASN 36 2.996 -2.499 -26.917 312 2HD2 ASN 36 1HD2 ASN 36 3.331 -3.572 -28.239 313 H ARG 37 H ARG 37 5.419 -4.411 -25.295 314 HA ARG 37 HA ARG 37 8.282 -4.924 -24.917 315 1HB ARG 37 1HB ARG 37 5.862 -6.754 -25.309 316 2HB ARG 37 2HB ARG 37 7.478 -7.299 -24.862 317 1HG ARG 37 1HG ARG 37 7.295 -6.663 -22.678 318 2HG ARG 37 2HG ARG 37 6.274 -5.272 -23.029 319 1HD ARG 37 1HD ARG 37 5.024 -6.978 -21.774 320 2HD ARG 37 2HD ARG 37 4.321 -6.667 -23.346 321 HE ARG 37 HE ARG 37 4.873 -8.831 -24.050 322 1HH1 ARG 37 1HH2 ARG 37 6.171 -8.280 -20.741 323 2HH1 ARG 37 2HH2 ARG 37 6.323 -9.979 -20.439 324 1HH2 ARG 37 1HH1 ARG 37 4.958 -10.930 -23.597 325 2HH2 ARG 37 2HH1 ARG 37 5.625 -11.560 -22.111 326 H ASP 38 H ASP 38 9.576 -6.161 -26.443 327 HA ASP 38 HA ASP 38 9.074 -5.930 -29.258 328 1HB ASP 38 1HB ASP 38 11.312 -6.319 -28.361 329 2HB ASP 38 2HB ASP 38 10.804 -7.863 -27.669 330 H ASP 39 H ASP 39 8.126 -8.250 -26.817 331 HA ASP 39 HA ASP 39 7.016 -10.351 -28.348 332 1HB ASP 39 1HB ASP 39 7.453 -10.619 -26.028 333 2HB ASP 39 2HB ASP 39 6.547 -9.175 -25.603 334 H GLY 40 H GLY 40 5.862 -7.048 -28.042 335 1HA GLY 40 1HA GLY 40 4.412 -6.253 -29.694 336 2HA GLY 40 2HA GLY 40 3.530 -7.788 -29.712 337 H ARG 41 H ARG 41 3.268 -8.075 -26.871 338 HA ARG 41 HA ARG 41 0.936 -6.573 -26.185 339 1HB ARG 41 1HB ARG 41 2.987 -8.249 -24.705 340 2HB ARG 41 2HB ARG 41 1.917 -7.216 -23.785 341 1HG ARG 41 1HG ARG 41 1.135 -9.537 -23.878 342 2HG ARG 41 2HG ARG 41 -0.020 -8.343 -24.423 343 1HD ARG 41 1HD ARG 41 -0.225 -10.189 -25.868 344 2HD ARG 41 2HD ARG 41 0.533 -8.904 -26.812 345 HE ARG 41 HE ARG 41 2.670 -10.420 -25.843 346 1HH1 ARG 41 1HH2 ARG 41 -0.245 -11.093 -27.787 347 2HH1 ARG 41 2HH2 ARG 41 0.444 -12.443 -28.605 348 1HH2 ARG 41 1HH1 ARG 41 3.599 -12.184 -26.988 349 2HH2 ARG 41 2HH1 ARG 41 2.655 -13.092 -28.126 350 H VAL 42 H VAL 42 0.650 -4.912 -24.716 351 HA VAL 42 HA VAL 42 2.889 -3.016 -24.265 352 HB VAL 42 HB VAL 42 -0.135 -2.918 -24.086 353 1HG1 VAL 42 1HG1 VAL 42 0.585 -1.836 -21.983 354 2HG1 VAL 42 2HG1 VAL 42 1.678 -0.774 -22.903 355 3HG1 VAL 42 3HG1 VAL 42 -0.085 -0.688 -23.131 356 1HG2 VAL 42 1HG2 VAL 42 1.951 -1.146 -25.417 357 2HG2 VAL 42 2HG2 VAL 42 0.950 -2.391 -26.223 358 3HG2 VAL 42 3HG2 VAL 42 0.187 -0.973 -25.510 359 H GLU 43 H GLU 43 3.273 -2.408 -22.008 360 HA GLU 43 HA GLU 43 2.455 -4.398 -19.995 361 1HB GLU 43 1HB GLU 43 4.693 -5.000 -21.123 362 2HB GLU 43 2HB GLU 43 5.354 -3.559 -20.364 363 1HG GLU 43 1HG GLU 43 4.756 -4.465 -18.128 364 2HG GLU 43 2HG GLU 43 4.042 -5.888 -18.895 365 H ILE 44 H ILE 44 2.455 -3.489 -17.889 366 HA ILE 44 HA ILE 44 3.073 -0.600 -17.621 367 HB ILE 44 HB ILE 44 0.564 -1.832 -16.479 368 1HG1 ILE 44 1HG1 ILE 44 0.652 -0.679 -19.281 369 2HG1 ILE 44 2HG1 ILE 44 0.234 -2.329 -18.826 370 1HG2 ILE 44 1HG2 ILE 44 1.161 1.030 -17.336 371 2HG2 ILE 44 2HG2 ILE 44 -0.167 0.454 -16.302 372 3HG2 ILE 44 3HG2 ILE 44 1.482 0.397 -15.708 373 1HD1 ILE 44 1HD1 ILE 44 -1.402 0.149 -18.178 374 2HD1 ILE 44 2HD1 ILE 44 -1.774 -1.110 -19.358 375 3HD1 ILE 44 3HD1 ILE 44 -1.771 -1.506 -17.632 376 H LEU 45 H LEU 45 3.936 -0.184 -15.487 377 HA LEU 45 HA LEU 45 3.633 -2.286 -13.418 378 1HB LEU 45 1HB LEU 45 5.617 -2.916 -14.837 379 2HB LEU 45 2HB LEU 45 6.369 -1.379 -14.428 380 HG LEU 45 HG LEU 45 5.618 -3.546 -12.412 381 1HD1 LEU 45 1HD1 LEU 45 7.978 -4.124 -12.386 382 2HD1 LEU 45 2HD1 LEU 45 7.368 -4.253 -14.041 383 3HD1 LEU 45 3HD1 LEU 45 8.340 -2.843 -13.565 384 1HD2 LEU 45 1HD2 LEU 45 7.115 -0.910 -12.134 385 2HD2 LEU 45 2HD2 LEU 45 5.813 -1.577 -11.108 386 3HD2 LEU 45 3HD2 LEU 45 7.412 -2.277 -11.029 387 H ALA 46 H ALA 46 3.258 -1.140 -11.489 388 HA ALA 46 HA ALA 46 4.616 1.411 -11.080 389 1HB ALA 46 1HB ALA 46 2.562 2.697 -10.697 390 2HB ALA 46 2HB ALA 46 2.488 2.028 -12.339 391 3HB ALA 46 3HB ALA 46 1.572 1.277 -11.002 392 H GLU 47 H GLU 47 4.262 2.245 -8.932 393 HA GLU 47 HA GLU 47 3.400 0.228 -6.931 394 1HB GLU 47 1HB GLU 47 4.982 1.200 -5.375 395 2HB GLU 47 2HB GLU 47 5.781 0.463 -6.760 396 1HG GLU 47 1HG GLU 47 6.296 2.632 -7.719 397 2HG GLU 47 2HG GLU 47 5.260 3.460 -6.552 398 H GLY 48 H GLY 48 2.387 1.109 -5.013 399 1HA GLY 48 1HA GLY 48 1.592 3.741 -4.510 400 2HA GLY 48 2HA GLY 48 0.441 3.095 -5.683 401 HA PRO 49 HA PRO 49 -0.912 1.469 -1.559 402 1HB PRO 49 1HB PRO 49 -3.298 2.814 -1.279 403 2HB PRO 49 2HB PRO 49 -1.733 3.374 -0.623 404 1HG PRO 49 1HG PRO 49 -3.186 4.325 -3.052 405 2HG PRO 49 2HG PRO 49 -2.167 5.250 -1.926 406 1HD PRO 49 1HD PRO 49 -1.346 4.274 -4.439 407 2HD PRO 49 2HD PRO 49 -0.253 4.761 -3.115 408 H GLU 50 H GLU 50 -2.555 -0.116 -1.344 409 HA GLU 50 HA GLU 50 -2.869 -1.652 -3.640 410 1HB GLU 50 1HB GLU 50 -2.839 -2.466 -1.295 411 2HB GLU 50 2HB GLU 50 -4.422 -1.745 -1.014 412 1HG GLU 50 1HG GLU 50 -5.387 -3.278 -2.757 413 2HG GLU 50 2HG GLU 50 -3.800 -4.025 -2.939 414 H ASN 51 H ASN 51 -5.404 0.327 -1.996 415 HA ASN 51 HA ASN 51 -7.497 -0.432 -3.774 416 1HB ASN 51 1HB ASN 51 -7.953 0.596 -1.593 417 2HB ASN 51 2HB ASN 51 -7.169 2.097 -2.098 418 1HD2 ASN 51 2HD2 ASN 51 -8.521 3.672 -3.013 419 2HD2 ASN 51 1HD2 ASN 51 -10.101 3.341 -3.668 420 H ALA 52 H ALA 52 -5.126 2.242 -3.944 421 HA ALA 52 HA ALA 52 -6.368 3.637 -6.142 422 1HB ALA 52 1HB ALA 52 -3.486 3.521 -5.140 423 2HB ALA 52 2HB ALA 52 -4.079 4.634 -6.377 424 3HB ALA 52 3HB ALA 52 -4.723 4.742 -4.727 425 H LEU 53 H LEU 53 -3.716 1.222 -5.909 426 HA LEU 53 HA LEU 53 -3.179 1.060 -8.695 427 1HB LEU 53 1HB LEU 53 -2.776 -0.839 -6.365 428 2HB LEU 53 2HB LEU 53 -2.236 -1.248 -7.980 429 HG LEU 53 HG LEU 53 -1.322 1.303 -6.589 430 1HD1 LEU 53 1HD1 LEU 53 -0.187 -1.515 -6.522 431 2HD1 LEU 53 2HD1 LEU 53 0.742 -0.076 -6.068 432 3HD1 LEU 53 3HD1 LEU 53 -0.736 -0.468 -5.179 433 1HD2 LEU 53 1HD2 LEU 53 0.575 1.221 -8.114 434 2HD2 LEU 53 2HD2 LEU 53 0.013 -0.301 -8.813 435 3HD2 LEU 53 3HD2 LEU 53 -0.912 1.199 -9.062 436 H GLN 54 H GLN 54 -5.380 -0.897 -6.628 437 HA GLN 54 HA GLN 54 -6.157 -2.552 -8.819 438 1HB GLN 54 1HB GLN 54 -7.423 -2.028 -6.108 439 2HB GLN 54 2HB GLN 54 -8.084 -3.190 -7.277 440 1HG GLN 54 1HG GLN 54 -5.963 -4.421 -7.339 441 2HG GLN 54 2HG GLN 54 -5.211 -3.282 -6.234 442 1HE2 GLN 54 2HE2 GLN 54 -4.941 -5.763 -5.479 443 2HE2 GLN 54 1HE2 GLN 54 -6.052 -6.208 -4.184 444 H SER 55 H SER 55 -7.496 0.521 -7.614 445 HA SER 55 HA SER 55 -9.792 0.555 -9.329 446 1HB SER 55 1HB SER 55 -8.143 2.906 -8.305 447 2HB SER 55 2HB SER 55 -9.795 2.967 -8.946 448 HG SER 55 HG SER 55 -8.864 1.708 -6.573 449 H PHE 56 H PHE 56 -6.398 1.664 -9.844 450 HA PHE 56 HA PHE 56 -6.709 2.553 -12.517 451 1HB PHE 56 1HB PHE 56 -4.759 3.049 -11.189 452 2HB PHE 56 2HB PHE 56 -4.351 1.364 -11.015 453 HD1 PHE 56 HD1 PHE 56 -3.582 4.277 -12.786 454 HD2 PHE 56 HD2 PHE 56 -3.867 -0.005 -13.258 455 HE1 PHE 56 HE1 PHE 56 -1.945 4.342 -14.621 456 HE2 PHE 56 HE2 PHE 56 -2.320 0.107 -15.175 457 HZ PHE 56 HZ PHE 56 -1.328 2.295 -15.846 458 H VAL 57 H VAL 57 -5.925 -0.787 -11.240 459 HA VAL 57 HA VAL 57 -5.704 -1.957 -13.792 460 HB VAL 57 HB VAL 57 -6.615 -3.147 -11.137 461 1HG1 VAL 57 1HG1 VAL 57 -7.475 -4.629 -12.887 462 2HG1 VAL 57 2HG1 VAL 57 -5.890 -4.643 -13.691 463 3HG1 VAL 57 3HG1 VAL 57 -6.097 -5.378 -12.083 464 1HG2 VAL 57 1HG2 VAL 57 -3.970 -3.496 -12.598 465 2HG2 VAL 57 2HG2 VAL 57 -4.217 -2.292 -11.338 466 3HG2 VAL 57 3HG2 VAL 57 -4.374 -4.009 -10.952 467 H GLU 58 H GLU 58 -8.700 -1.404 -11.815 468 HA GLU 58 HA GLU 58 -10.443 -2.611 -13.702 469 1HB GLU 58 1HB GLU 58 -10.968 -0.355 -11.722 470 2HB GLU 58 2HB GLU 58 -12.214 -1.166 -12.677 471 1HG GLU 58 1HG GLU 58 -11.528 -3.351 -11.674 472 2HG GLU 58 2HG GLU 58 -10.389 -2.493 -10.640 473 H ALA 59 H ALA 59 -9.186 0.717 -13.502 474 HA ALA 59 HA ALA 59 -10.698 1.831 -15.653 475 1HB ALA 59 1HB ALA 59 -9.051 3.597 -15.644 476 2HB ALA 59 2HB ALA 59 -9.373 3.126 -13.959 477 3HB ALA 59 3HB ALA 59 -7.884 2.604 -14.759 478 H VAL 60 H VAL 60 -7.559 0.048 -15.699 479 HA VAL 60 HA VAL 60 -7.267 0.336 -18.568 480 HB VAL 60 HB VAL 60 -6.062 -1.847 -16.801 481 1HG1 VAL 60 1HG1 VAL 60 -5.116 -0.635 -19.429 482 2HG1 VAL 60 2HG1 VAL 60 -4.328 -1.945 -18.523 483 3HG1 VAL 60 3HG1 VAL 60 -5.903 -2.224 -19.274 484 1HG2 VAL 60 1HG2 VAL 60 -4.008 -0.334 -16.836 485 2HG2 VAL 60 2HG2 VAL 60 -5.062 0.984 -17.396 486 3HG2 VAL 60 3HG2 VAL 60 -5.314 0.220 -15.816 487 H LYS 61 H LYS 61 -8.460 -2.351 -16.466 488 HA LYS 61 HA LYS 61 -8.982 -4.189 -18.507 489 1HB LYS 61 1HB LYS 61 -8.834 -4.668 -16.076 490 2HB LYS 61 2HB LYS 61 -10.384 -3.859 -15.815 491 1HG LYS 61 1HG LYS 61 -11.539 -5.553 -17.167 492 2HG LYS 61 2HG LYS 61 -9.992 -6.312 -17.585 493 1HD LYS 61 1HD LYS 61 -9.608 -6.846 -15.191 494 2HD LYS 61 2HD LYS 61 -11.157 -6.076 -14.773 495 1HE LYS 61 1HE LYS 61 -12.347 -7.703 -16.237 496 2HE LYS 61 2HE LYS 61 -10.806 -8.470 -16.641 497 1HZ LYS 61 1HZ LYS 61 -11.993 -8.358 -13.927 498 2HZ LYS 61 2HZ LYS 61 -11.957 -9.666 -14.893 499 3HZ LYS 61 3HZ LYS 61 -10.566 -9.065 -14.298 500 H ASN 62 H ASN 62 -11.142 -1.641 -17.207 501 HA ASN 62 HA ASN 62 -13.490 -2.466 -18.562 502 1HB ASN 62 1HB ASN 62 -13.445 -0.831 -16.698 503 2HB ASN 62 2HB ASN 62 -12.625 0.337 -17.739 504 1HD2 ASN 62 2HD2 ASN 62 -13.994 1.803 -18.742 505 2HD2 ASN 62 1HD2 ASN 62 -15.693 1.516 -19.078 506 H GLY 63 H GLY 63 -10.604 -0.870 -19.854 507 1HA GLY 63 1HA GLY 63 -10.127 -0.056 -21.933 508 2HA GLY 63 2HA GLY 63 -11.493 -1.019 -22.537 509 H SER 64 H SER 64 -11.555 1.668 -20.158 510 HA SER 64 HA SER 64 -13.861 2.850 -21.039 511 1HB SER 64 1HB SER 64 -11.571 4.333 -19.708 512 2HB SER 64 2HB SER 64 -13.309 4.609 -19.527 513 HG SER 64 HG SER 64 -12.300 3.414 -17.796 514 HA PRO 65 HA PRO 65 -11.665 6.270 -23.398 515 1HB PRO 65 1HB PRO 65 -9.033 6.404 -23.945 516 2HB PRO 65 2HB PRO 65 -9.607 6.451 -22.258 517 1HG PRO 65 1HG PRO 65 -8.680 4.015 -23.815 518 2HG PRO 65 2HG PRO 65 -8.034 4.603 -22.274 519 1HD PRO 65 1HD PRO 65 -9.967 2.703 -22.367 520 2HD PRO 65 2HD PRO 65 -9.957 3.923 -21.069 521 H PHE 66 H PHE 66 -10.135 6.670 -25.562 522 HA PHE 66 HA PHE 66 -11.330 5.504 -27.821 523 1HB PHE 66 1HB PHE 66 -9.296 6.713 -28.917 524 2HB PHE 66 2HB PHE 66 -10.504 7.632 -28.055 525 HD1 PHE 66 HD1 PHE 66 -9.521 9.515 -27.104 526 HD2 PHE 66 HD2 PHE 66 -7.429 5.750 -26.816 527 HE1 PHE 66 HE1 PHE 66 -7.796 10.566 -25.670 528 HE2 PHE 66 HE2 PHE 66 -5.749 6.795 -25.347 529 HZ PHE 66 HZ PHE 66 -5.907 9.210 -24.782 530 H SER 67 H SER 67 -9.328 3.754 -25.850 531 HA SER 67 HA SER 67 -8.307 1.990 -27.971 532 1HB SER 67 1HB SER 67 -6.621 3.325 -25.804 533 2HB SER 67 2HB SER 67 -6.084 1.938 -26.745 534 HG SER 67 HG SER 67 -5.311 3.736 -27.787 535 H LYS 68 H LYS 68 -7.990 -0.222 -26.991 536 HA LYS 68 HA LYS 68 -8.983 -0.573 -24.293 537 1HB LYS 68 1HB LYS 68 -11.044 -1.562 -24.632 538 2HB LYS 68 2HB LYS 68 -11.106 -0.116 -25.613 539 1HG LYS 68 1HG LYS 68 -10.740 -2.988 -26.566 540 2HG LYS 68 2HG LYS 68 -12.202 -2.012 -26.660 541 1HD LYS 68 1HD LYS 68 -10.960 -0.421 -28.209 542 2HD LYS 68 2HD LYS 68 -9.607 -1.561 -28.163 543 1HE LYS 68 1HE LYS 68 -10.811 -2.009 -30.168 544 2HE LYS 68 2HE LYS 68 -11.075 -3.358 -29.061 545 1HZ LYS 68 1HZ LYS 68 -13.260 -2.408 -28.549 546 2HZ LYS 68 2HZ LYS 68 -12.996 -1.148 -29.561 547 3HZ LYS 68 3HZ LYS 68 -13.118 -2.659 -30.149 548 H VAL 69 H VAL 69 -8.963 -2.745 -23.562 549 HA VAL 69 HA VAL 69 -6.921 -4.358 -24.914 550 HB VAL 69 HB VAL 69 -7.073 -5.741 -22.861 551 1HG1 VAL 69 1HG1 VAL 69 -6.110 -4.039 -21.328 552 2HG1 VAL 69 2HG1 VAL 69 -5.455 -3.946 -22.974 553 3HG1 VAL 69 3HG1 VAL 69 -6.646 -2.750 -22.413 554 1HG2 VAL 69 1HG2 VAL 69 -9.440 -5.310 -22.200 555 2HG2 VAL 69 2HG2 VAL 69 -8.292 -5.016 -20.893 556 3HG2 VAL 69 3HG2 VAL 69 -9.001 -3.643 -21.760 557 H THR 70 H THR 70 -7.280 -6.525 -25.537 558 HA THR 70 HA THR 70 -10.053 -7.583 -25.380 559 HB THR 70 HB THR 70 -9.499 -8.929 -27.405 560 HG1 THR 70 HG1 THR 70 -7.712 -8.468 -28.570 561 1HG2 THR 70 1HG2 THR 70 -10.816 -6.813 -27.594 562 2HG2 THR 70 2HG2 THR 70 -9.314 -5.912 -27.890 563 3HG2 THR 70 3HG2 THR 70 -9.858 -7.150 -29.044 564 H ASP 71 H ASP 71 -6.722 -7.813 -24.425 565 HA ASP 71 HA ASP 71 -7.417 -10.128 -22.779 566 1HB ASP 71 1HB ASP 71 -6.344 -11.204 -24.715 567 2HB ASP 71 2HB ASP 71 -5.003 -10.056 -24.644 568 H ILE 72 H ILE 72 -6.298 -10.033 -20.808 569 HA ILE 72 HA ILE 72 -4.204 -8.065 -20.366 570 HB ILE 72 HB ILE 72 -6.099 -6.634 -20.118 571 1HG1 ILE 72 1HG1 ILE 72 -5.303 -7.407 -17.277 572 2HG1 ILE 72 2HG1 ILE 72 -4.233 -6.567 -18.394 573 1HG2 ILE 72 1HG2 ILE 72 -7.922 -8.282 -19.829 574 2HG2 ILE 72 2HG2 ILE 72 -7.374 -8.590 -18.165 575 3HG2 ILE 72 3HG2 ILE 72 -8.000 -6.998 -18.637 576 1HD1 ILE 72 1HD1 ILE 72 -5.272 -4.930 -16.947 577 2HD1 ILE 72 2HD1 ILE 72 -5.920 -4.710 -18.582 578 3HD1 ILE 72 3HD1 ILE 72 -6.890 -5.522 -17.332 579 H SER 73 H SER 73 -2.897 -8.719 -18.706 580 HA SER 73 HA SER 73 -3.743 -10.936 -16.918 581 1HB SER 73 1HB SER 73 -1.129 -10.793 -18.496 582 2HB SER 73 2HB SER 73 -1.553 -12.015 -17.286 583 HG SER 73 HG SER 73 -1.915 -12.740 -19.431 584 H VAL 74 H VAL 74 -3.100 -10.478 -14.833 585 HA VAL 74 HA VAL 74 -1.294 -8.175 -14.395 586 HB VAL 74 HB VAL 74 -3.701 -7.674 -14.512 587 1HG1 VAL 74 1HG1 VAL 74 -4.063 -9.313 -11.989 588 2HG1 VAL 74 2HG1 VAL 74 -5.261 -8.244 -12.747 589 3HG1 VAL 74 3HG1 VAL 74 -4.718 -9.690 -13.601 590 1HG2 VAL 74 1HG2 VAL 74 -2.564 -7.221 -11.719 591 2HG2 VAL 74 2HG2 VAL 74 -2.135 -6.288 -13.165 592 3HG2 VAL 74 3HG2 VAL 74 -3.788 -6.237 -12.554 593 H THR 75 H THR 75 -0.098 -8.168 -12.546 594 HA THR 75 HA THR 75 -0.175 -10.477 -10.695 595 HB THR 75 HB THR 75 2.349 -9.261 -11.916 596 HG1 THR 75 HG1 THR 75 1.266 -10.415 -13.497 597 1HG2 THR 75 1HG2 THR 75 3.451 -11.303 -11.000 598 2HG2 THR 75 2HG2 THR 75 2.766 -10.285 -9.732 599 3HG2 THR 75 3HG2 THR 75 1.918 -11.768 -10.226 600 H GLU 76 H GLU 76 0.590 -9.802 -8.555 601 HA GLU 76 HA GLU 76 0.976 -6.894 -8.147 602 1HB GLU 76 1HB GLU 76 -1.016 -8.699 -6.707 603 2HB GLU 76 2HB GLU 76 -0.512 -7.117 -6.110 604 1HG GLU 76 1HG GLU 76 -1.463 -5.995 -8.047 605 2HG GLU 76 2HG GLU 76 -1.861 -7.535 -8.810 606 H SER 77 H SER 77 2.171 -6.479 -6.161 607 HA SER 77 HA SER 77 3.076 -8.681 -4.483 608 1HB SER 77 1HB SER 77 5.046 -7.112 -6.225 609 2HB SER 77 2HB SER 77 5.504 -8.161 -4.871 610 HG SER 77 HG SER 77 3.808 -9.355 -6.654 611 H ARG 78 H ARG 78 3.826 -7.799 -2.446 612 HA ARG 78 HA ARG 78 2.748 -5.157 -1.964 613 1HB ARG 78 1HB ARG 78 4.522 -6.519 0.041 614 2HB ARG 78 2HB ARG 78 3.119 -5.470 0.280 615 1HG ARG 78 1HG ARG 78 3.027 -8.362 -0.683 616 2HG ARG 78 2HG ARG 78 2.734 -7.833 0.961 617 1HD ARG 78 1HD ARG 78 1.071 -6.887 -1.400 618 2HD ARG 78 2HD ARG 78 0.686 -8.330 -0.439 619 HE ARG 78 HE ARG 78 1.074 -6.081 1.290 620 1HH1 ARG 78 1HH2 ARG 78 -1.388 -7.558 -0.824 621 2HH1 ARG 78 2HH2 ARG 78 -2.632 -6.446 -0.319 622 1HH2 ARG 78 2HH1 ARG 78 -0.708 -4.892 2.174 623 2HH2 ARG 78 1HH1 ARG 78 -2.297 -5.134 1.541 624 H SER 79 H SER 79 5.991 -6.396 -2.614 625 HA SER 79 HA SER 79 7.547 -4.410 -1.496 626 1HB SER 79 1HB SER 79 8.145 -5.926 -4.063 627 2HB SER 79 2HB SER 79 9.303 -5.309 -2.871 628 HG SER 79 HG SER 79 8.911 -7.553 -2.615 629 H LEU 80 H LEU 80 7.715 -2.289 -1.896 630 HA LEU 80 HA LEU 80 7.029 -0.960 -4.396 631 1HB LEU 80 1HB LEU 80 8.358 -0.219 -1.784 632 2HB LEU 80 2HB LEU 80 8.676 0.786 -3.189 633 HG LEU 80 HG LEU 80 6.345 1.273 -3.525 634 1HD1 LEU 80 1HD1 LEU 80 4.579 0.591 -2.013 635 2HD1 LEU 80 2HD1 LEU 80 5.256 -0.812 -2.811 636 3HD1 LEU 80 3HD1 LEU 80 5.698 -0.474 -1.121 637 1HD2 LEU 80 1HD2 LEU 80 7.101 1.616 -0.593 638 2HD2 LEU 80 2HD2 LEU 80 7.619 2.663 -1.933 639 3HD2 LEU 80 3HD2 LEU 80 5.907 2.581 -1.491 640 H GLU 81 H GLU 81 8.781 0.248 -5.640 641 HA GLU 81 HA GLU 81 11.184 -1.454 -5.989 642 1HB GLU 81 1HB GLU 81 10.692 -1.917 -8.296 643 2HB GLU 81 2HB GLU 81 9.445 -2.528 -7.233 644 1HG GLU 81 1HG GLU 81 8.239 -1.675 -9.022 645 2HG GLU 81 2HG GLU 81 8.065 -0.423 -7.814 646 H GLY 82 H GLY 82 9.768 1.732 -6.231 647 1HA GLY 82 1HA GLY 82 11.564 3.191 -5.474 648 2HA GLY 82 2HA GLY 82 12.561 2.649 -6.818 649 H HIS 83 H HIS 83 9.698 2.929 -8.427 650 HA HIS 83 HA HIS 83 10.420 5.337 -9.692 651 1HB HIS 83 1HB HIS 83 8.032 3.555 -9.734 652 2HB HIS 83 2HB HIS 83 7.698 5.221 -10.124 653 HD1 HIS 83 HD1 HIS 83 8.051 5.911 -12.577 654 HD2 HIS 83 HD2 HIS 83 10.244 2.516 -11.364 655 HE1 HIS 83 HE1 HIS 83 9.244 5.045 -14.643 656 H HIS 84 H HIS 84 9.791 7.442 -9.584 657 HA HIS 84 HA HIS 84 7.979 8.317 -7.391 658 1HB HIS 84 1HB HIS 84 10.478 8.545 -6.895 659 2HB HIS 84 2HB HIS 84 10.549 9.727 -8.200 660 HD1 HIS 84 HD1 HIS 84 8.701 9.249 -4.794 661 HD2 HIS 84 HD2 HIS 84 10.022 12.204 -7.491 662 HE1 HIS 84 HE1 HIS 84 8.272 11.488 -3.665 663 H ARG 85 H ARG 85 8.086 7.993 -10.586 664 HA ARG 85 HA ARG 85 6.277 10.206 -11.071 665 1HB ARG 85 1HB ARG 85 7.409 10.887 -13.168 666 2HB ARG 85 2HB ARG 85 8.335 11.320 -11.741 667 1HG ARG 85 1HG ARG 85 9.974 9.637 -12.106 668 2HG ARG 85 2HG ARG 85 8.971 8.755 -13.261 669 1HD ARG 85 1HD ARG 85 10.087 11.542 -13.744 670 2HD ARG 85 2HD ARG 85 10.827 10.037 -14.332 671 HE ARG 85 HE ARG 85 8.394 9.693 -15.319 672 1HH1 ARG 85 1HH2 ARG 85 10.514 12.529 -15.600 673 2HH1 ARG 85 2HH2 ARG 85 9.641 13.214 -16.922 674 1HH2 ARG 85 1HH1 ARG 85 7.138 10.671 -16.847 675 2HH2 ARG 85 2HH1 ARG 85 7.685 12.067 -17.736 676 H PHE 86 H PHE 86 5.199 9.833 -13.234 677 HA PHE 86 HA PHE 86 5.039 6.969 -13.961 678 1HB PHE 86 1HB PHE 86 3.239 7.765 -15.490 679 2HB PHE 86 2HB PHE 86 2.898 7.963 -13.784 680 HD1 PHE 86 HD1 PHE 86 3.720 9.776 -16.932 681 HD2 PHE 86 HD2 PHE 86 2.614 10.155 -12.777 682 HE1 PHE 86 HE1 PHE 86 3.252 12.189 -17.273 683 HE2 PHE 86 HE2 PHE 86 2.182 12.575 -13.118 684 HZ PHE 86 HZ PHE 86 2.493 13.595 -15.366 685 H SER 87 H SER 87 5.872 6.265 -15.953 686 HA SER 87 HA SER 87 7.227 8.251 -17.719 687 1HB SER 87 1HB SER 87 8.462 5.704 -16.604 688 2HB SER 87 2HB SER 87 9.238 6.880 -17.680 689 HG SER 87 HG SER 87 9.869 7.306 -15.578 690 H ILE 88 H ILE 88 7.850 7.334 -19.832 691 HA ILE 88 HA ILE 88 6.024 5.175 -20.737 692 HB ILE 88 HB ILE 88 6.316 7.934 -22.022 693 1HG1 ILE 88 1HG1 ILE 88 4.001 6.796 -20.406 694 2HG1 ILE 88 2HG1 ILE 88 5.014 8.166 -19.951 695 1HG2 ILE 88 1HG2 ILE 88 4.441 5.620 -22.638 696 2HG2 ILE 88 2HG2 ILE 88 4.528 7.166 -23.524 697 3HG2 ILE 88 3HG2 ILE 88 5.879 6.043 -23.598 698 1HD1 ILE 88 1HD1 ILE 88 2.941 9.044 -20.695 699 2HD1 ILE 88 2HD1 ILE 88 4.138 9.414 -21.953 700 3HD1 ILE 88 3HD1 ILE 88 2.962 8.092 -22.181 701 H VAL 89 H VAL 89 7.038 3.839 -22.179 702 HA VAL 89 HA VAL 89 9.364 4.816 -23.707 703 HB VAL 89 HB VAL 89 10.402 3.912 -21.770 704 1HG1 VAL 89 1HG1 VAL 89 10.098 1.613 -20.922 705 2HG1 VAL 89 2HG1 VAL 89 8.637 2.585 -20.729 706 3HG1 VAL 89 3HG1 VAL 89 8.745 1.391 -22.041 707 1HG2 VAL 89 1HG2 VAL 89 11.762 2.121 -22.651 708 2HG2 VAL 89 2HG2 VAL 89 10.556 1.740 -23.893 709 3HG2 VAL 89 3HG2 VAL 89 11.429 3.293 -23.933 710 H TYR 90 H TYR 90 9.457 3.902 -25.744 711 HA TYR 90 HA TYR 90 7.778 1.594 -26.434 712 1HB TYR 90 1HB TYR 90 6.540 2.796 -28.173 713 2HB TYR 90 2HB TYR 90 6.192 3.432 -26.585 714 HD1 TYR 90 HD1 TYR 90 7.044 5.679 -25.881 715 HD2 TYR 90 HD2 TYR 90 7.629 4.174 -29.882 716 HE1 TYR 90 HE1 TYR 90 7.579 7.969 -26.657 717 HE2 TYR 90 HE2 TYR 90 8.164 6.455 -30.669 718 HH TYR 90 HH TYR 90 8.409 8.698 -30.082 719 H SER 91 H SER 91 10.726 2.814 -26.519 720 HA SER 91 HA SER 91 11.595 3.076 -29.142 721 1HB SER 91 1HB SER 91 13.166 1.846 -26.846 722 2HB SER 91 2HB SER 91 13.787 2.782 -28.214 723 HG SER 91 HG SER 91 13.617 4.073 -26.313 Start of MODEL 7 1 1H MET 1 1H MET 1 3.334 -0.086 2.157 2 2H MET 1 2H MET 1 3.143 -1.639 1.664 3 3H MET 1 3H MET 1 4.529 -0.851 1.326 4 HA MET 1 HA MET 1 1.873 -0.199 0.263 5 1HB MET 1 1HB MET 1 3.814 1.663 0.639 6 2HB MET 1 2HB MET 1 4.340 1.016 -0.917 7 1HG MET 1 1HG MET 1 1.893 1.340 -1.664 8 2HG MET 1 2HG MET 1 1.647 2.225 -0.169 9 1HE MET 1 1HE MET 1 4.132 3.472 -3.836 10 2HE MET 1 2HE MET 1 4.979 2.521 -2.598 11 3HE MET 1 3HE MET 1 3.554 1.841 -3.407 12 H LEU 2 H LEU 2 1.937 -0.457 -2.324 13 HA LEU 2 HA LEU 2 3.045 -3.199 -2.769 14 1HB LEU 2 1HB LEU 2 0.268 -2.073 -2.778 15 2HB LEU 2 2HB LEU 2 0.665 -3.121 -4.117 16 HG LEU 2 HG LEU 2 1.367 -4.925 -2.590 17 1HD1 LEU 2 1HD1 LEU 2 0.607 -4.831 -0.216 18 2HD1 LEU 2 2HD1 LEU 2 1.945 -3.746 -0.563 19 3HD1 LEU 2 3HD1 LEU 2 0.292 -3.090 -0.407 20 1HD2 LEU 2 1HD2 LEU 2 -0.974 -5.496 -1.917 21 2HD2 LEU 2 2HD2 LEU 2 -1.457 -3.822 -2.236 22 3HD2 LEU 2 3HD2 LEU 2 -0.890 -4.856 -3.563 23 H GLN 3 H GLN 3 2.573 -3.834 -5.133 24 HA GLN 3 HA GLN 3 2.976 -1.686 -7.088 25 1HB GLN 3 1HB GLN 3 5.238 -2.254 -6.650 26 2HB GLN 3 2HB GLN 3 4.874 -3.959 -6.426 27 1HG GLN 3 1HG GLN 3 4.547 -4.272 -8.837 28 2HG GLN 3 2HG GLN 3 4.833 -2.549 -9.124 29 1HE2 GLN 3 2HE2 GLN 3 7.004 -1.683 -8.492 30 2HE2 GLN 3 1HE2 GLN 3 8.386 -2.747 -8.469 31 H TYR 4 H TYR 4 2.304 -2.355 -9.222 32 HA TYR 4 HA TYR 4 1.131 -5.084 -9.411 33 1HB TYR 4 1HB TYR 4 -0.420 -4.403 -11.099 34 2HB TYR 4 2HB TYR 4 -0.720 -3.566 -9.600 35 HD1 TYR 4 HD1 TYR 4 1.434 -2.773 -12.709 36 HD2 TYR 4 HD2 TYR 4 -1.767 -1.570 -10.077 37 HE1 TYR 4 HE1 TYR 4 1.342 -0.605 -13.823 38 HE2 TYR 4 HE2 TYR 4 -1.866 0.608 -11.210 39 HH TYR 4 HH TYR 4 0.359 1.516 -13.879 40 H ARG 5 H ARG 5 1.372 -6.046 -11.520 41 HA ARG 5 HA ARG 5 3.197 -4.724 -13.426 42 1HB ARG 5 1HB ARG 5 3.502 -7.674 -12.685 43 2HB ARG 5 2HB ARG 5 4.458 -6.745 -13.847 44 1HG ARG 5 1HG ARG 5 5.254 -5.307 -11.908 45 2HG ARG 5 2HG ARG 5 4.411 -6.419 -10.814 46 1HD ARG 5 1HD ARG 5 5.773 -8.296 -11.732 47 2HD ARG 5 2HD ARG 5 6.691 -7.122 -12.695 48 HE ARG 5 HE ARG 5 6.699 -6.141 -10.061 49 1HH1 ARG 5 1HH2 ARG 5 7.948 -9.092 -11.597 50 2HH1 ARG 5 2HH2 ARG 5 9.100 -9.395 -10.350 51 1HH2 ARG 5 1HH1 ARG 5 8.127 -6.534 -8.438 52 2HH2 ARG 5 2HH1 ARG 5 9.214 -7.877 -8.483 53 H ILE 6 H ILE 6 2.114 -4.797 -15.361 54 HA ILE 6 HA ILE 6 -0.178 -6.680 -15.645 55 HB ILE 6 HB ILE 6 -0.112 -3.657 -15.989 56 1HG1 ILE 6 1HG1 ILE 6 -1.841 -5.315 -14.107 57 2HG1 ILE 6 2HG1 ILE 6 -0.374 -4.472 -13.618 58 1HG2 ILE 6 1HG2 ILE 6 -2.516 -3.832 -16.654 59 2HG2 ILE 6 2HG2 ILE 6 -1.434 -4.609 -17.785 60 3HG2 ILE 6 3HG2 ILE 6 -2.368 -5.601 -16.637 61 1HD1 ILE 6 1HD1 ILE 6 -1.369 -2.318 -14.376 62 2HD1 ILE 6 2HD1 ILE 6 -2.925 -3.163 -14.592 63 3HD1 ILE 6 3HD1 ILE 6 -2.169 -3.079 -12.995 64 H ILE 7 H ILE 7 -0.476 -7.351 -17.752 65 HA ILE 7 HA ILE 7 1.113 -6.047 -19.856 66 HB ILE 7 HB ILE 7 0.865 -8.879 -20.440 67 1HG1 ILE 7 1HG1 ILE 7 1.269 -9.200 -17.941 68 2HG1 ILE 7 2HG1 ILE 7 2.362 -9.978 -19.058 69 1HG2 ILE 7 1HG2 ILE 7 3.209 -8.621 -21.082 70 2HG2 ILE 7 2HG2 ILE 7 2.194 -7.307 -21.690 71 3HG2 ILE 7 3HG2 ILE 7 3.254 -7.012 -20.313 72 1HD1 ILE 7 1HD1 ILE 7 4.130 -8.371 -18.626 73 2HD1 ILE 7 2HD1 ILE 7 3.073 -7.406 -17.583 74 3HD1 ILE 7 3HD1 ILE 7 3.547 -9.032 -17.089 75 H VAL 8 H VAL 8 -0.133 -5.687 -21.656 76 HA VAL 8 HA VAL 8 -2.879 -6.847 -21.726 77 HB VAL 8 HB VAL 8 -3.589 -4.457 -22.316 78 1HG1 VAL 8 1HG1 VAL 8 -4.271 -5.535 -20.287 79 2HG1 VAL 8 2HG1 VAL 8 -2.756 -5.113 -19.476 80 3HG1 VAL 8 3HG1 VAL 8 -3.901 -3.839 -19.944 81 1HG2 VAL 8 1HG2 VAL 8 -1.071 -3.640 -20.806 82 2HG2 VAL 8 2HG2 VAL 8 -1.324 -3.465 -22.557 83 3HG2 VAL 8 3HG2 VAL 8 -2.359 -2.587 -21.426 84 H ASP 9 H ASP 9 -3.944 -6.730 -23.703 85 HA ASP 9 HA ASP 9 -2.441 -5.890 -26.109 86 1HB ASP 9 1HB ASP 9 -2.057 -8.338 -25.844 87 2HB ASP 9 2HB ASP 9 -3.797 -8.594 -25.701 88 H GLY 10 H GLY 10 -3.911 -5.155 -27.731 89 1HA GLY 10 1HA GLY 10 -6.539 -5.318 -28.192 90 2HA GLY 10 2HA GLY 10 -6.519 -4.354 -26.701 91 H ARG 11 H ARG 11 -7.257 -2.476 -27.905 92 HA ARG 11 HA ARG 11 -5.180 -1.233 -29.627 93 1HB ARG 11 1HB ARG 11 -7.587 -0.743 -30.216 94 2HB ARG 11 2HB ARG 11 -7.783 0.011 -28.632 95 1HG ARG 11 1HG ARG 11 -7.361 1.799 -30.141 96 2HG ARG 11 2HG ARG 11 -5.860 1.580 -29.238 97 1HD ARG 11 1HD ARG 11 -5.008 0.171 -31.189 98 2HD ARG 11 2HD ARG 11 -6.450 0.638 -32.081 99 HE ARG 11 HE ARG 11 -4.133 2.298 -31.269 100 1HH1 ARG 11 1HH2 ARG 11 -7.332 2.313 -32.835 101 2HH1 ARG 11 2HH2 ARG 11 -7.045 3.770 -33.708 102 1HH2 ARG 11 1HH1 ARG 11 -3.759 4.201 -32.421 103 2HH2 ARG 11 2HH1 ARG 11 -4.956 4.877 -33.463 104 H VAL 12 H VAL 12 -3.463 -1.117 -28.248 105 HA VAL 12 HA VAL 12 -3.751 0.596 -25.836 106 HB VAL 12 HB VAL 12 -2.095 -0.910 -24.714 107 1HG1 VAL 12 1HG1 VAL 12 -4.523 -1.079 -24.247 108 2HG1 VAL 12 2HG1 VAL 12 -4.669 -2.345 -25.484 109 3HG1 VAL 12 3HG1 VAL 12 -3.671 -2.618 -24.045 110 1HG2 VAL 12 1HG2 VAL 12 -1.684 -3.183 -25.478 111 2HG2 VAL 12 2HG2 VAL 12 -2.704 -2.953 -26.904 112 3HG2 VAL 12 3HG2 VAL 12 -1.175 -2.076 -26.753 113 H GLN 13 H GLN 13 -2.745 0.918 -28.809 114 HA GLN 13 HA GLN 13 -0.302 2.385 -28.140 115 1HB GLN 13 1HB GLN 13 -0.468 0.212 -30.285 116 2HB GLN 13 2HB GLN 13 0.851 1.366 -30.154 117 1HG GLN 13 1HG GLN 13 0.221 -0.675 -27.987 118 2HG GLN 13 2HG GLN 13 1.324 -0.957 -29.319 119 1HE2 GLN 13 2HE2 GLN 13 0.775 1.317 -26.562 120 2HE2 GLN 13 1HE2 GLN 13 2.488 1.710 -26.389 121 H GLY 14 H GLY 14 -1.146 4.403 -31.033 122 1HA GLY 14 1HA GLY 14 1.153 3.452 -29.379 123 2HA GLY 14 2HA GLY 14 1.197 4.538 -30.760 124 H VAL 15 H VAL 15 1.453 6.628 -30.240 125 HA VAL 15 HA VAL 15 1.441 7.677 -27.624 126 HB VAL 15 HB VAL 15 1.139 9.137 -30.291 127 1HG1 VAL 15 1HG1 VAL 15 0.673 10.651 -28.402 128 2HG1 VAL 15 2HG1 VAL 15 2.175 10.138 -27.595 129 3HG1 VAL 15 3HG1 VAL 15 2.231 11.039 -29.125 130 1HG2 VAL 15 1HG2 VAL 15 3.616 9.407 -30.169 131 2HG2 VAL 15 2HG2 VAL 15 3.653 8.340 -28.750 132 3HG2 VAL 15 3HG2 VAL 15 3.152 7.718 -30.337 133 H GLY 16 H GLY 16 -0.089 8.869 -26.457 134 1HA GLY 16 1HA GLY 16 -2.202 9.626 -25.818 135 2HA GLY 16 2HA GLY 16 -2.829 9.250 -27.423 136 H PHE 17 H PHE 17 -2.461 6.702 -27.884 137 HA PHE 17 HA PHE 17 -4.394 5.424 -26.254 138 1HB PHE 17 1HB PHE 17 -2.622 4.478 -28.483 139 2HB PHE 17 2HB PHE 17 -3.780 3.406 -27.701 140 HD1 PHE 17 HD1 PHE 17 -3.417 6.385 -29.899 141 HD2 PHE 17 HD2 PHE 17 -6.181 3.659 -28.023 142 HE1 PHE 17 HE1 PHE 17 -5.247 7.252 -31.327 143 HE2 PHE 17 HE2 PHE 17 -8.002 4.506 -29.476 144 HZ PHE 17 HZ PHE 17 -7.543 6.314 -31.124 145 H ARG 18 H ARG 18 -0.836 5.304 -25.967 146 HA ARG 18 HA ARG 18 -1.447 3.802 -23.439 147 1HB ARG 18 1HB ARG 18 0.840 3.193 -23.229 148 2HB ARG 18 2HB ARG 18 0.228 2.659 -24.780 149 1HG ARG 18 1HG ARG 18 1.483 4.282 -25.982 150 2HG ARG 18 2HG ARG 18 1.798 5.263 -24.532 151 1HD ARG 18 1HD ARG 18 3.257 3.669 -23.599 152 2HD ARG 18 2HD ARG 18 2.820 2.421 -24.770 153 HE ARG 18 HE ARG 18 3.797 4.531 -26.302 154 1HH1 ARG 18 1HH2 ARG 18 5.086 2.540 -23.667 155 2HH1 ARG 18 2HH2 ARG 18 6.738 2.706 -24.164 156 1HH2 ARG 18 1HH1 ARG 18 6.004 4.734 -26.970 157 2HH2 ARG 18 2HH1 ARG 18 7.260 3.996 -26.049 158 H TYR 19 H TYR 19 -1.278 6.973 -24.298 159 HA TYR 19 HA TYR 19 0.291 7.896 -21.978 160 1HB TYR 19 1HB TYR 19 0.029 9.259 -24.087 161 2HB TYR 19 2HB TYR 19 -1.684 9.437 -23.694 162 HD1 TYR 19 HD1 TYR 19 1.779 10.171 -22.496 163 HD2 TYR 19 HD2 TYR 19 -2.421 11.082 -22.103 164 HE1 TYR 19 HE1 TYR 19 2.340 12.098 -21.044 165 HE2 TYR 19 HE2 TYR 19 -1.869 13.039 -20.693 166 HH TYR 19 HH TYR 19 -0.175 14.273 -19.670 167 H PHE 20 H PHE 20 -3.120 7.190 -22.893 168 HA PHE 20 HA PHE 20 -4.322 8.404 -20.748 169 1HB PHE 20 1HB PHE 20 -6.257 7.327 -21.249 170 2HB PHE 20 2HB PHE 20 -5.395 7.092 -22.756 171 HD1 PHE 20 HD1 PHE 20 -6.930 5.471 -19.838 172 HD2 PHE 20 HD2 PHE 20 -4.293 4.834 -23.176 173 HE1 PHE 20 HE1 PHE 20 -7.261 3.022 -19.624 174 HE2 PHE 20 HE2 PHE 20 -4.563 2.375 -22.919 175 HZ PHE 20 HZ PHE 20 -6.089 1.467 -21.173 176 H VAL 21 H VAL 21 -2.792 5.107 -20.618 177 HA VAL 21 HA VAL 21 -3.719 4.589 -17.999 178 HB VAL 21 HB VAL 21 -1.667 3.120 -17.850 179 1HG1 VAL 21 1HG1 VAL 21 -3.943 2.361 -18.533 180 2HG1 VAL 21 2HG1 VAL 21 -3.510 2.685 -20.220 181 3HG1 VAL 21 3HG1 VAL 21 -2.663 1.425 -19.323 182 1HG2 VAL 21 1HG2 VAL 21 -0.216 4.219 -19.548 183 2HG2 VAL 21 2HG2 VAL 21 -0.460 2.490 -19.808 184 3HG2 VAL 21 3HG2 VAL 21 -1.338 3.652 -20.813 185 H GLN 22 H GLN 22 -0.958 6.590 -19.126 186 HA GLN 22 HA GLN 22 0.046 6.782 -16.401 187 1HB GLN 22 1HB GLN 22 0.780 8.443 -18.826 188 2HB GLN 22 2HB GLN 22 1.640 8.323 -17.299 189 1HG GLN 22 1HG GLN 22 1.357 6.188 -19.431 190 2HG GLN 22 2HG GLN 22 2.813 6.996 -18.882 191 1HE2 GLN 22 2HE2 GLN 22 4.155 5.562 -17.709 192 2HE2 GLN 22 1HE2 GLN 22 3.509 4.347 -16.618 193 H MET 23 H MET 23 -2.233 8.597 -18.403 194 HA MET 23 HA MET 23 -2.595 10.778 -16.525 195 1HB MET 23 1HB MET 23 -4.778 9.498 -18.221 196 2HB MET 23 2HB MET 23 -4.823 11.061 -17.424 197 1HG MET 23 1HG MET 23 -2.844 11.729 -18.876 198 2HG MET 23 2HG MET 23 -3.148 10.264 -19.815 199 1HE MET 23 1HE MET 23 -6.326 10.020 -19.713 200 2HE MET 23 2HE MET 23 -6.948 11.067 -21.004 201 3HE MET 23 3HE MET 23 -5.610 9.965 -21.346 202 H GLU 24 H GLU 24 -4.249 7.565 -16.826 203 HA GLU 24 HA GLU 24 -5.936 7.944 -14.568 204 1HB GLU 24 1HB GLU 24 -4.954 5.438 -16.001 205 2HB GLU 24 2HB GLU 24 -6.207 5.428 -14.765 206 1HG GLU 24 1HG GLU 24 -6.408 7.009 -17.384 207 2HG GLU 24 2HG GLU 24 -7.078 5.403 -17.120 208 H ALA 25 H ALA 25 -2.665 6.604 -14.893 209 HA ALA 25 HA ALA 25 -2.289 5.637 -12.263 210 1HB ALA 25 1HB ALA 25 -0.762 5.178 -14.180 211 2HB ALA 25 2HB ALA 25 -0.290 6.893 -14.215 212 3HB ALA 25 3HB ALA 25 0.133 5.893 -12.829 213 H ASP 26 H ASP 26 -1.532 8.848 -13.716 214 HA ASP 26 HA ASP 26 -0.613 10.077 -11.308 215 1HB ASP 26 1HB ASP 26 -0.193 11.073 -13.475 216 2HB ASP 26 2HB ASP 26 -1.915 11.294 -13.775 217 H LYS 27 H LYS 27 -3.876 9.932 -12.757 218 HA LYS 27 HA LYS 27 -5.256 11.398 -10.774 219 1HB LYS 27 1HB LYS 27 -6.104 11.011 -12.961 220 2HB LYS 27 2HB LYS 27 -6.046 9.276 -12.785 221 1HG LYS 27 1HG LYS 27 -7.837 10.864 -10.939 222 2HG LYS 27 2HG LYS 27 -8.297 10.695 -12.626 223 1HD LYS 27 1HD LYS 27 -7.803 8.341 -10.763 224 2HD LYS 27 2HD LYS 27 -9.378 9.004 -11.233 225 1HE LYS 27 1HE LYS 27 -8.494 8.592 -13.677 226 2HE LYS 27 2HE LYS 27 -7.323 7.517 -12.894 227 1HZ LYS 27 1HZ LYS 27 -9.179 6.208 -12.063 228 2HZ LYS 27 2HZ LYS 27 -10.275 7.271 -12.670 229 3HZ LYS 27 3HZ LYS 27 -9.329 6.421 -13.694 230 H ARG 28 H ARG 28 -3.805 8.261 -10.473 231 HA ARG 28 HA ARG 28 -5.190 7.883 -7.842 232 1HB ARG 28 1HB ARG 28 -4.031 5.815 -9.762 233 2HB ARG 28 2HB ARG 28 -4.574 5.448 -8.134 234 1HG ARG 28 1HG ARG 28 -6.368 6.373 -10.400 235 2HG ARG 28 2HG ARG 28 -6.146 4.728 -9.820 236 1HD ARG 28 1HD ARG 28 -8.185 5.450 -8.897 237 2HD ARG 28 2HD ARG 28 -7.021 5.432 -7.562 238 HE ARG 28 HE ARG 28 -7.007 8.030 -8.657 239 1HH1 ARG 28 1HH1 ARG 28 -9.357 6.012 -6.907 240 2HH1 ARG 28 2HH1 ARG 28 -10.178 7.364 -6.224 241 1HH2 ARG 28 1HH2 ARG 28 -8.035 9.757 -7.789 242 2HH2 ARG 28 2HH2 ARG 28 -9.407 9.579 -6.744 243 H LYS 29 H LYS 29 -2.744 9.500 -8.719 244 HA LYS 29 HA LYS 29 -0.632 9.872 -8.194 245 1HB LYS 29 1HB LYS 29 -0.171 10.175 -5.844 246 2HB LYS 29 2HB LYS 29 -1.774 10.750 -6.276 247 1HG LYS 29 1HG LYS 29 -2.825 8.804 -5.232 248 2HG LYS 29 2HG LYS 29 -1.239 8.073 -4.909 249 1HD LYS 29 1HD LYS 29 -0.669 9.978 -3.429 250 2HD LYS 29 2HD LYS 29 -2.256 10.710 -3.760 251 1HE LYS 29 1HE LYS 29 -3.372 8.695 -2.819 252 2HE LYS 29 2HE LYS 29 -1.793 7.971 -2.489 253 1HZ LYS 29 1HZ LYS 29 -2.808 10.472 -1.262 254 2HZ LYS 29 2HZ LYS 29 -2.713 9.025 -0.522 255 3HZ LYS 29 3HZ LYS 29 -1.349 9.800 -0.956 256 H LEU 30 H LEU 30 -0.877 7.282 -9.261 257 HA LEU 30 HA LEU 30 0.995 5.509 -7.857 258 1HB LEU 30 1HB LEU 30 -0.140 5.501 -10.686 259 2HB LEU 30 2HB LEU 30 0.854 4.221 -9.993 260 HG LEU 30 HG LEU 30 -1.955 5.032 -9.148 261 1HD1 LEU 30 1HD1 LEU 30 -0.837 2.493 -10.389 262 2HD1 LEU 30 2HD1 LEU 30 -2.535 2.764 -9.919 263 3HD1 LEU 30 3HD1 LEU 30 -1.811 3.707 -11.229 264 1HD2 LEU 30 1HD2 LEU 30 -0.829 4.362 -7.121 265 2HD2 LEU 30 2HD2 LEU 30 -1.845 3.014 -7.642 266 3HD2 LEU 30 3HD2 LEU 30 -0.096 2.956 -7.936 267 H ALA 31 H ALA 31 3.063 4.901 -8.904 268 HA ALA 31 HA ALA 31 4.252 6.855 -10.787 269 1HB ALA 31 1HB ALA 31 5.528 5.962 -8.155 270 2HB ALA 31 2HB ALA 31 6.339 6.868 -9.444 271 3HB ALA 31 3HB ALA 31 4.991 7.614 -8.550 272 H GLY 32 H GLY 32 5.680 5.740 -12.259 273 1HA GLY 32 1HA GLY 32 6.483 3.044 -12.138 274 2HA GLY 32 2HA GLY 32 4.769 3.069 -12.569 275 H TRP 33 H TRP 33 5.826 1.986 -14.531 276 HA TRP 33 HA TRP 33 6.280 4.088 -16.560 277 1HB TRP 33 1HB TRP 33 7.933 2.780 -17.685 278 2HB TRP 33 2HB TRP 33 8.447 3.130 -16.053 279 HD1 TRP 33 HD1 TRP 33 6.895 0.140 -18.005 280 HE1 TRP 33 HE1 TRP 33 8.020 -2.018 -17.277 281 HE3 TRP 33 HE3 TRP 33 9.737 2.019 -14.178 282 HZ2 TRP 33 HZ2 TRP 33 10.015 -2.820 -15.323 283 HZ3 TRP 33 HZ3 TRP 33 11.240 0.524 -12.897 284 HH2 TRP 33 HH2 TRP 33 11.399 -1.892 -13.468 285 H VAL 34 H VAL 34 5.679 3.516 -18.715 286 HA VAL 34 HA VAL 34 4.230 0.937 -19.033 287 HB VAL 34 HB VAL 34 2.574 2.747 -19.003 288 1HG1 VAL 34 1HG1 VAL 34 3.997 3.855 -21.457 289 2HG1 VAL 34 2HG1 VAL 34 2.448 4.417 -20.801 290 3HG1 VAL 34 3HG1 VAL 34 3.939 4.616 -19.864 291 1HG2 VAL 34 1HG2 VAL 34 2.153 0.765 -20.385 292 2HG2 VAL 34 2HG2 VAL 34 1.437 2.211 -21.104 293 3HG2 VAL 34 3HG2 VAL 34 2.930 1.543 -21.780 294 H LYS 35 H LYS 35 4.819 -0.214 -20.888 295 HA LYS 35 HA LYS 35 7.026 0.902 -22.543 296 1HB LYS 35 1HB LYS 35 7.825 -0.186 -20.364 297 2HB LYS 35 2HB LYS 35 7.186 -1.702 -21.003 298 1HG LYS 35 1HG LYS 35 8.786 -1.424 -22.977 299 2HG LYS 35 2HG LYS 35 9.408 0.021 -22.187 300 1HD LYS 35 1HD LYS 35 10.911 -1.726 -21.571 301 2HD LYS 35 2HD LYS 35 9.902 -1.439 -20.145 302 1HE LYS 35 1HE LYS 35 8.391 -3.357 -21.270 303 2HE LYS 35 2HE LYS 35 9.894 -3.758 -22.103 304 1HZ LYS 35 1HZ LYS 35 10.909 -3.993 -19.849 305 2HZ LYS 35 2HZ LYS 35 9.411 -3.682 -19.181 306 3HZ LYS 35 3HZ LYS 35 9.613 -4.999 -20.053 307 H ASN 36 H ASN 36 7.234 -0.192 -24.541 308 HA ASN 36 HA ASN 36 4.948 -1.866 -25.421 309 1HB ASN 36 1HB ASN 36 5.885 -0.168 -26.969 310 2HB ASN 36 2HB ASN 36 7.480 -0.925 -26.847 311 1HD2 ASN 36 2HD2 ASN 36 4.219 -1.232 -28.246 312 2HD2 ASN 36 1HD2 ASN 36 4.580 -2.633 -29.225 313 H ARG 37 H ARG 37 5.188 -4.142 -25.924 314 HA ARG 37 HA ARG 37 7.865 -5.341 -25.330 315 1HB ARG 37 1HB ARG 37 5.079 -6.488 -24.855 316 2HB ARG 37 2HB ARG 37 6.522 -7.493 -25.022 317 1HG ARG 37 1HG ARG 37 7.594 -6.266 -23.134 318 2HG ARG 37 2HG ARG 37 6.091 -5.352 -22.891 319 1HD ARG 37 1HD ARG 37 4.877 -7.385 -22.326 320 2HD ARG 37 2HD ARG 37 6.242 -8.396 -22.840 321 HE ARG 37 HE ARG 37 6.882 -6.513 -20.685 322 1HH1 ARG 37 1HH2 ARG 37 5.728 -9.822 -21.363 323 2HH1 ARG 37 2HH2 ARG 37 6.199 -10.417 -19.815 324 1HH2 ARG 37 1HH1 ARG 37 7.473 -7.242 -18.774 325 2HH2 ARG 37 2HH1 ARG 37 7.251 -8.902 -18.254 326 H ASP 38 H ASP 38 8.757 -6.322 -27.045 327 HA ASP 38 HA ASP 38 7.907 -5.696 -29.621 328 1HB ASP 38 1HB ASP 38 10.226 -6.167 -29.010 329 2HB ASP 38 2HB ASP 38 9.826 -7.854 -28.674 330 H ASP 39 H ASP 39 7.081 -8.511 -27.695 331 HA ASP 39 HA ASP 39 6.153 -10.282 -29.703 332 1HB ASP 39 1HB ASP 39 6.516 -10.895 -27.348 333 2HB ASP 39 2HB ASP 39 5.198 -9.831 -26.851 334 H GLY 40 H GLY 40 4.750 -7.305 -28.455 335 1HA GLY 40 1HA GLY 40 3.244 -6.294 -30.144 336 2HA GLY 40 2HA GLY 40 2.221 -7.732 -29.987 337 H ARG 41 H ARG 41 3.065 -7.636 -26.967 338 HA ARG 41 HA ARG 41 0.639 -6.288 -26.048 339 1HB ARG 41 1HB ARG 41 2.944 -7.793 -24.708 340 2HB ARG 41 2HB ARG 41 1.759 -6.920 -23.768 341 1HG ARG 41 1HG ARG 41 1.222 -9.210 -23.733 342 2HG ARG 41 2HG ARG 41 -0.060 -8.320 -24.525 343 1HD ARG 41 1HD ARG 41 2.105 -9.781 -26.087 344 2HD ARG 41 2HD ARG 41 0.630 -10.586 -25.540 345 HE ARG 41 HE ARG 41 -0.325 -8.380 -26.864 346 1HH1 ARG 41 1HH2 ARG 41 1.920 -10.977 -27.863 347 2HH1 ARG 41 2HH2 ARG 41 1.398 -10.936 -29.506 348 1HH2 ARG 41 1HH1 ARG 41 -1.000 -8.360 -29.028 349 2HH2 ARG 41 2HH1 ARG 41 -0.278 -9.430 -30.191 350 H VAL 42 H VAL 42 0.789 -4.907 -24.089 351 HA VAL 42 HA VAL 42 3.152 -3.095 -24.032 352 HB VAL 42 HB VAL 42 0.192 -2.448 -23.746 353 1HG1 VAL 42 1HG1 VAL 42 1.286 -1.333 -21.861 354 2HG1 VAL 42 2HG1 VAL 42 2.529 -0.668 -22.946 355 3HG1 VAL 42 3HG1 VAL 42 0.833 -0.153 -23.094 356 1HG2 VAL 42 1HG2 VAL 42 1.157 -2.366 -26.027 357 2HG2 VAL 42 2HG2 VAL 42 0.687 -0.771 -25.435 358 3HG2 VAL 42 3HG2 VAL 42 2.404 -1.239 -25.451 359 H GLU 43 H GLU 43 3.834 -2.638 -21.941 360 HA GLU 43 HA GLU 43 2.877 -4.435 -19.766 361 1HB GLU 43 1HB GLU 43 5.095 -5.083 -20.620 362 2HB GLU 43 2HB GLU 43 5.637 -3.409 -20.575 363 1HG GLU 43 1HG GLU 43 5.321 -3.508 -18.017 364 2HG GLU 43 2HG GLU 43 5.133 -5.256 -18.220 365 H ILE 44 H ILE 44 2.567 -3.410 -17.787 366 HA ILE 44 HA ILE 44 3.195 -0.535 -17.540 367 HB ILE 44 HB ILE 44 0.656 -1.659 -16.427 368 1HG1 ILE 44 1HG1 ILE 44 0.719 -0.785 -19.336 369 2HG1 ILE 44 2HG1 ILE 44 0.436 -2.432 -18.767 370 1HG2 ILE 44 1HG2 ILE 44 -0.065 0.648 -16.523 371 2HG2 ILE 44 2HG2 ILE 44 1.602 0.661 -15.961 372 3HG2 ILE 44 3HG2 ILE 44 1.245 1.071 -17.647 373 1HD1 ILE 44 1HD1 ILE 44 -1.370 -0.052 -18.256 374 2HD1 ILE 44 2HD1 ILE 44 -1.683 -1.438 -19.306 375 3HD1 ILE 44 3HD1 ILE 44 -1.594 -1.667 -17.548 376 H LEU 45 H LEU 45 4.073 -0.154 -15.468 377 HA LEU 45 HA LEU 45 3.726 -2.213 -13.351 378 1HB LEU 45 1HB LEU 45 5.604 -2.993 -14.707 379 2HB LEU 45 2HB LEU 45 6.408 -1.433 -14.588 380 HG LEU 45 HG LEU 45 5.736 -2.984 -12.064 381 1HD1 LEU 45 1HD1 LEU 45 6.869 -4.581 -13.574 382 2HD1 LEU 45 2HD1 LEU 45 8.180 -3.420 -13.822 383 3HD1 LEU 45 3HD1 LEU 45 7.910 -4.133 -12.215 384 1HD2 LEU 45 1HD2 LEU 45 7.945 -1.023 -12.824 385 2HD2 LEU 45 2HD2 LEU 45 6.636 -0.750 -11.665 386 3HD2 LEU 45 3HD2 LEU 45 7.894 -1.921 -11.292 387 H ALA 46 H ALA 46 3.403 -1.094 -11.443 388 HA ALA 46 HA ALA 46 4.683 1.506 -11.044 389 1HB ALA 46 1HB ALA 46 1.642 1.256 -11.051 390 2HB ALA 46 2HB ALA 46 2.571 2.720 -10.749 391 3HB ALA 46 3HB ALA 46 2.569 2.015 -12.375 392 H GLU 47 H GLU 47 4.212 2.363 -8.913 393 HA GLU 47 HA GLU 47 3.504 0.293 -6.904 394 1HB GLU 47 1HB GLU 47 4.998 1.399 -5.366 395 2HB GLU 47 2HB GLU 47 5.874 0.881 -6.803 396 1HG GLU 47 1HG GLU 47 5.930 3.178 -7.658 397 2HG GLU 47 2HG GLU 47 4.898 3.739 -6.342 398 H GLY 48 H GLY 48 2.267 0.973 -5.106 399 1HA GLY 48 1HA GLY 48 1.402 3.526 -4.456 400 2HA GLY 48 2HA GLY 48 0.235 2.924 -5.640 401 HA PRO 49 HA PRO 49 -0.913 1.019 -1.532 402 1HB PRO 49 1HB PRO 49 -3.261 2.347 -1.038 403 2HB PRO 49 2HB PRO 49 -1.664 2.933 -0.479 404 1HG PRO 49 1HG PRO 49 -3.224 3.799 -2.914 405 2HG PRO 49 2HG PRO 49 -2.377 4.827 -1.722 406 1HD PRO 49 1HD PRO 49 -1.266 4.124 -4.145 407 2HD PRO 49 2HD PRO 49 -0.276 4.374 -2.677 408 H GLU 50 H GLU 50 -2.737 -0.460 -1.328 409 HA GLU 50 HA GLU 50 -3.127 -1.905 -3.657 410 1HB GLU 50 1HB GLU 50 -3.302 -2.717 -1.285 411 2HB GLU 50 2HB GLU 50 -4.885 -1.948 -1.165 412 1HG GLU 50 1HG GLU 50 -5.694 -3.396 -3.053 413 2HG GLU 50 2HG GLU 50 -4.108 -4.169 -3.112 414 H ASN 51 H ASN 51 -5.469 0.363 -2.110 415 HA ASN 51 HA ASN 51 -7.582 -0.219 -3.932 416 1HB ASN 51 1HB ASN 51 -8.748 1.611 -3.029 417 2HB ASN 51 2HB ASN 51 -7.855 0.923 -1.684 418 1HD2 ASN 51 2HD2 ASN 51 -8.810 3.844 -2.851 419 2HD2 ASN 51 1HD2 ASN 51 -7.456 4.829 -2.367 420 H ALA 52 H ALA 52 -4.923 2.160 -4.097 421 HA ALA 52 HA ALA 52 -5.929 3.603 -6.386 422 1HB ALA 52 1HB ALA 52 -3.109 3.211 -5.262 423 2HB ALA 52 2HB ALA 52 -3.533 4.355 -6.534 424 3HB ALA 52 3HB ALA 52 -4.220 4.560 -4.917 425 H LEU 53 H LEU 53 -3.619 0.902 -5.959 426 HA LEU 53 HA LEU 53 -2.983 0.543 -8.703 427 1HB LEU 53 1HB LEU 53 -2.992 -1.368 -6.338 428 2HB LEU 53 2HB LEU 53 -2.328 -1.802 -7.903 429 HG LEU 53 HG LEU 53 -1.322 0.562 -6.253 430 1HD1 LEU 53 1HD1 LEU 53 -0.983 -1.497 -5.012 431 2HD1 LEU 53 2HD1 LEU 53 -0.294 -2.304 -6.442 432 3HD1 LEU 53 3HD1 LEU 53 0.560 -0.946 -5.671 433 1HD2 LEU 53 1HD2 LEU 53 0.068 -0.917 -8.516 434 2HD2 LEU 53 2HD2 LEU 53 -0.751 0.652 -8.700 435 3HD2 LEU 53 3HD2 LEU 53 0.651 0.501 -7.644 436 H GLN 54 H GLN 54 -5.472 -1.066 -6.678 437 HA GLN 54 HA GLN 54 -6.404 -2.675 -8.842 438 1HB GLN 54 1HB GLN 54 -7.681 -1.936 -6.182 439 2HB GLN 54 2HB GLN 54 -8.402 -3.072 -7.325 440 1HG GLN 54 1HG GLN 54 -5.680 -3.395 -5.986 441 2HG GLN 54 2HG GLN 54 -7.148 -4.259 -5.565 442 1HE2 GLN 54 2HE2 GLN 54 -4.278 -4.783 -7.042 443 2HE2 GLN 54 1HE2 GLN 54 -4.753 -5.942 -8.256 444 H SER 55 H SER 55 -7.496 0.516 -7.648 445 HA SER 55 HA SER 55 -9.780 0.714 -9.351 446 1HB SER 55 1HB SER 55 -7.922 2.935 -8.395 447 2HB SER 55 2HB SER 55 -9.546 3.148 -9.077 448 HG SER 55 HG SER 55 -8.773 1.921 -6.644 449 H PHE 56 H PHE 56 -6.312 1.551 -9.919 450 HA PHE 56 HA PHE 56 -6.634 2.433 -12.593 451 1HB PHE 56 1HB PHE 56 -4.598 2.879 -11.413 452 2HB PHE 56 2HB PHE 56 -4.297 1.170 -11.124 453 HD1 PHE 56 HD1 PHE 56 -3.579 -0.347 -12.930 454 HD2 PHE 56 HD2 PHE 56 -4.146 3.886 -13.635 455 HE1 PHE 56 HE1 PHE 56 -2.469 -0.557 -15.135 456 HE2 PHE 56 HE2 PHE 56 -3.116 3.615 -15.861 457 HZ PHE 56 HZ PHE 56 -2.251 1.413 -16.603 458 H VAL 57 H VAL 57 -5.982 -0.940 -11.325 459 HA VAL 57 HA VAL 57 -5.859 -2.158 -13.854 460 HB VAL 57 HB VAL 57 -6.822 -3.202 -11.156 461 1HG1 VAL 57 1HG1 VAL 57 -6.368 -4.825 -13.692 462 2HG1 VAL 57 2HG1 VAL 57 -6.524 -5.506 -12.054 463 3HG1 VAL 57 3HG1 VAL 57 -7.888 -4.664 -12.787 464 1HG2 VAL 57 1HG2 VAL 57 -4.298 -3.893 -12.689 465 2HG2 VAL 57 2HG2 VAL 57 -4.354 -2.584 -11.498 466 3HG2 VAL 57 3HG2 VAL 57 -4.675 -4.248 -10.994 467 H GLU 58 H GLU 58 -8.814 -1.463 -11.867 468 HA GLU 58 HA GLU 58 -10.627 -2.612 -13.727 469 1HB GLU 58 1HB GLU 58 -11.023 -0.361 -11.708 470 2HB GLU 58 2HB GLU 58 -12.326 -1.121 -12.631 471 1HG GLU 58 1HG GLU 58 -11.687 -3.336 -11.669 472 2HG GLU 58 2HG GLU 58 -10.479 -2.532 -10.670 473 H ALA 59 H ALA 59 -9.237 0.652 -13.512 474 HA ALA 59 HA ALA 59 -10.801 1.863 -15.560 475 1HB ALA 59 1HB ALA 59 -7.929 2.526 -14.764 476 2HB ALA 59 2HB ALA 59 -9.077 3.569 -15.613 477 3HB ALA 59 3HB ALA 59 -9.379 3.100 -13.923 478 H VAL 60 H VAL 60 -7.672 0.051 -15.775 479 HA VAL 60 HA VAL 60 -7.450 0.396 -18.630 480 HB VAL 60 HB VAL 60 -6.322 -1.932 -17.004 481 1HG1 VAL 60 1HG1 VAL 60 -5.430 -0.642 -19.626 482 2HG1 VAL 60 2HG1 VAL 60 -4.596 -1.957 -18.772 483 3HG1 VAL 60 3HG1 VAL 60 -6.200 -2.234 -19.453 484 1HG2 VAL 60 1HG2 VAL 60 -4.196 -0.480 -17.062 485 2HG2 VAL 60 2HG2 VAL 60 -5.276 0.895 -17.386 486 3HG2 VAL 60 3HG2 VAL 60 -5.428 -0.056 -15.894 487 H LYS 61 H LYS 61 -8.769 -2.285 -16.593 488 HA LYS 61 HA LYS 61 -9.429 -4.004 -18.709 489 1HB LYS 61 1HB LYS 61 -9.322 -4.563 -16.278 490 2HB LYS 61 2HB LYS 61 -10.846 -3.697 -16.022 491 1HG LYS 61 1HG LYS 61 -12.021 -5.280 -17.497 492 2HG LYS 61 2HG LYS 61 -10.488 -6.092 -17.881 493 1HD LYS 61 1HD LYS 61 -10.232 -6.736 -15.500 494 2HD LYS 61 2HD LYS 61 -11.762 -5.914 -15.113 495 1HE LYS 61 1HE LYS 61 -12.962 -7.427 -16.683 496 2HE LYS 61 2HE LYS 61 -11.442 -8.245 -17.060 497 1HZ LYS 61 1HZ LYS 61 -12.728 -8.186 -14.391 498 2HZ LYS 61 2HZ LYS 61 -12.712 -9.456 -15.408 499 3HZ LYS 61 3HZ LYS 61 -11.320 -8.942 -14.736 500 H ASN 62 H ASN 62 -11.366 -1.349 -17.281 501 HA ASN 62 HA ASN 62 -13.725 -1.865 -18.807 502 1HB ASN 62 1HB ASN 62 -13.644 -0.497 -16.727 503 2HB ASN 62 2HB ASN 62 -12.735 0.746 -17.592 504 1HD2 ASN 62 2HD2 ASN 62 -14.002 2.397 -18.411 505 2HD2 ASN 62 1HD2 ASN 62 -15.704 2.248 -18.820 506 H GLY 63 H GLY 63 -10.675 -0.333 -19.742 507 1HA GLY 63 1HA GLY 63 -10.021 0.783 -21.615 508 2HA GLY 63 2HA GLY 63 -11.335 -0.059 -22.461 509 H SER 64 H SER 64 -11.418 2.403 -19.817 510 HA SER 64 HA SER 64 -13.817 3.420 -20.586 511 1HB SER 64 1HB SER 64 -11.762 5.074 -19.090 512 2HB SER 64 2HB SER 64 -13.516 5.055 -18.906 513 HG SER 64 HG SER 64 -12.279 3.855 -17.303 514 HA PRO 65 HA PRO 65 -12.251 7.317 -22.485 515 1HB PRO 65 1HB PRO 65 -9.696 7.935 -23.146 516 2HB PRO 65 2HB PRO 65 -10.288 7.915 -21.464 517 1HG PRO 65 1HG PRO 65 -8.711 5.766 -22.903 518 2HG PRO 65 2HG PRO 65 -8.484 6.436 -21.257 519 1HD PRO 65 1HD PRO 65 -9.868 4.090 -21.786 520 2HD PRO 65 2HD PRO 65 -10.183 5.131 -20.376 521 H PHE 66 H PHE 66 -10.137 4.938 -24.230 522 HA PHE 66 HA PHE 66 -11.625 5.089 -26.667 523 1HB PHE 66 1HB PHE 66 -9.541 6.005 -27.991 524 2HB PHE 66 2HB PHE 66 -10.757 7.076 -27.352 525 HD1 PHE 66 HD1 PHE 66 -10.213 8.865 -25.916 526 HD2 PHE 66 HD2 PHE 66 -7.286 5.777 -26.649 527 HE1 PHE 66 HE1 PHE 66 -8.500 10.194 -24.717 528 HE2 PHE 66 HE2 PHE 66 -5.611 7.079 -25.390 529 HZ PHE 66 HZ PHE 66 -6.195 9.294 -24.433 530 H SER 67 H SER 67 -8.312 4.481 -25.304 531 HA SER 67 HA SER 67 -7.739 2.140 -26.808 532 1HB SER 67 1HB SER 67 -7.035 2.855 -23.939 533 2HB SER 67 2HB SER 67 -6.152 1.722 -24.976 534 HG SER 67 HG SER 67 -5.065 3.590 -25.127 535 H LYS 68 H LYS 68 -7.939 -0.117 -26.104 536 HA LYS 68 HA LYS 68 -9.424 -0.704 -23.738 537 1HB LYS 68 1HB LYS 68 -11.382 -1.689 -24.465 538 2HB LYS 68 2HB LYS 68 -11.344 -0.163 -25.318 539 1HG LYS 68 1HG LYS 68 -10.728 -2.917 -26.471 540 2HG LYS 68 2HG LYS 68 -12.208 -1.986 -26.676 541 1HD LYS 68 1HD LYS 68 -10.851 -0.197 -27.866 542 2HD LYS 68 2HD LYS 68 -9.458 -1.280 -27.751 543 1HE LYS 68 1HE LYS 68 -10.356 -1.561 -29.935 544 2HE LYS 68 2HE LYS 68 -10.702 -3.028 -29.017 545 1HZ LYS 68 1HZ LYS 68 -12.611 -2.287 -30.305 546 2HZ LYS 68 2HZ LYS 68 -12.980 -2.213 -28.722 547 3HZ LYS 68 3HZ LYS 68 -12.642 -0.844 -29.555 548 H VAL 69 H VAL 69 -9.194 -2.856 -23.103 549 HA VAL 69 HA VAL 69 -7.068 -4.291 -24.539 550 HB VAL 69 HB VAL 69 -7.056 -5.761 -22.586 551 1HG1 VAL 69 1HG1 VAL 69 -6.993 -2.818 -21.779 552 2HG1 VAL 69 2HG1 VAL 69 -6.138 -4.165 -21.006 553 3HG1 VAL 69 3HG1 VAL 69 -5.708 -3.670 -22.656 554 1HG2 VAL 69 1HG2 VAL 69 -9.209 -3.969 -21.365 555 2HG2 VAL 69 2HG2 VAL 69 -9.426 -5.661 -21.868 556 3HG2 VAL 69 3HG2 VAL 69 -8.319 -5.269 -20.550 557 H THR 70 H THR 70 -7.321 -6.411 -25.284 558 HA THR 70 HA THR 70 -10.044 -7.599 -25.282 559 HB THR 70 HB THR 70 -9.355 -8.695 -27.450 560 HG1 THR 70 HG1 THR 70 -7.175 -8.372 -27.531 561 1HG2 THR 70 1HG2 THR 70 -9.873 -6.767 -28.855 562 2HG2 THR 70 2HG2 THR 70 -10.870 -6.712 -27.394 563 3HG2 THR 70 3HG2 THR 70 -9.463 -5.639 -27.546 564 H ASP 71 H ASP 71 -6.737 -7.785 -24.280 565 HA ASP 71 HA ASP 71 -7.445 -10.142 -22.747 566 1HB ASP 71 1HB ASP 71 -6.357 -11.234 -24.665 567 2HB ASP 71 2HB ASP 71 -4.990 -10.124 -24.553 568 H ILE 72 H ILE 72 -6.267 -10.121 -20.767 569 HA ILE 72 HA ILE 72 -4.272 -8.052 -20.275 570 HB ILE 72 HB ILE 72 -6.232 -6.725 -20.020 571 1HG1 ILE 72 1HG1 ILE 72 -5.511 -7.538 -17.178 572 2HG1 ILE 72 2HG1 ILE 72 -4.410 -6.647 -18.222 573 1HG2 ILE 72 1HG2 ILE 72 -7.992 -8.438 -19.830 574 2HG2 ILE 72 2HG2 ILE 72 -7.454 -8.822 -18.180 575 3HG2 ILE 72 3HG2 ILE 72 -8.146 -7.235 -18.562 576 1HD1 ILE 72 1HD1 ILE 72 -6.125 -4.823 -18.442 577 2HD1 ILE 72 2HD1 ILE 72 -7.136 -5.686 -17.258 578 3HD1 ILE 72 3HD1 ILE 72 -5.544 -5.077 -16.787 579 H SER 73 H SER 73 -2.952 -8.622 -18.602 580 HA SER 73 HA SER 73 -3.674 -10.898 -16.836 581 1HB SER 73 1HB SER 73 -1.020 -10.485 -18.295 582 2HB SER 73 2HB SER 73 -1.376 -11.758 -17.115 583 HG SER 73 HG SER 73 -1.572 -12.488 -19.281 584 H VAL 74 H VAL 74 -2.927 -10.587 -14.740 585 HA VAL 74 HA VAL 74 -1.481 -8.067 -14.118 586 HB VAL 74 HB VAL 74 -4.056 -9.067 -12.816 587 1HG1 VAL 74 1HG1 VAL 74 -2.389 -6.575 -12.244 588 2HG1 VAL 74 2HG1 VAL 74 -4.006 -6.896 -11.585 589 3HG1 VAL 74 3HG1 VAL 74 -2.662 -7.948 -11.152 590 1HG2 VAL 74 1HG2 VAL 74 -4.620 -8.105 -14.968 591 2HG2 VAL 74 2HG2 VAL 74 -5.086 -6.978 -13.700 592 3HG2 VAL 74 3HG2 VAL 74 -3.615 -6.676 -14.652 593 H THR 75 H THR 75 -0.061 -8.285 -12.508 594 HA THR 75 HA THR 75 -0.218 -10.529 -10.597 595 HB THR 75 HB THR 75 2.358 -9.446 -11.832 596 HG1 THR 75 HG1 THR 75 1.214 -10.647 -13.353 597 1HG2 THR 75 1HG2 THR 75 2.758 -10.370 -9.614 598 2HG2 THR 75 2HG2 THR 75 1.838 -11.841 -10.013 599 3HG2 THR 75 3HG2 THR 75 3.384 -11.492 -10.822 600 H GLU 76 H GLU 76 0.691 -9.775 -8.488 601 HA GLU 76 HA GLU 76 1.144 -6.872 -8.279 602 1HB GLU 76 1HB GLU 76 -0.137 -6.845 -6.162 603 2HB GLU 76 2HB GLU 76 -1.129 -7.036 -7.608 604 1HG GLU 76 1HG GLU 76 -1.569 -9.326 -7.181 605 2HG GLU 76 2HG GLU 76 -0.283 -9.446 -5.969 606 H SER 77 H SER 77 2.412 -6.291 -6.509 607 HA SER 77 HA SER 77 4.161 -8.372 -5.342 608 1HB SER 77 1HB SER 77 5.230 -6.088 -7.048 609 2HB SER 77 2HB SER 77 6.116 -7.486 -6.431 610 HG SER 77 HG SER 77 4.851 -8.782 -7.860 611 H ARG 78 H ARG 78 5.975 -7.008 -4.072 612 HA ARG 78 HA ARG 78 4.830 -4.487 -2.940 613 1HB ARG 78 1HB ARG 78 5.944 -6.848 -1.354 614 2HB ARG 78 2HB ARG 78 5.742 -5.223 -0.714 615 1HG ARG 78 1HG ARG 78 3.839 -6.226 0.057 616 2HG ARG 78 2HG ARG 78 3.274 -5.389 -1.388 617 1HD ARG 78 1HD ARG 78 3.403 -7.561 -2.630 618 2HD ARG 78 2HD ARG 78 3.931 -8.355 -1.156 619 HE ARG 78 HE ARG 78 1.765 -8.021 -0.213 620 1HH1 ARG 78 1HH2 ARG 78 1.798 -6.911 -3.639 621 2HH1 ARG 78 2HH2 ARG 78 0.156 -7.500 -3.889 622 1HH2 ARG 78 1HH1 ARG 78 -0.470 -8.605 -0.709 623 2HH2 ARG 78 2HH1 ARG 78 -1.051 -8.315 -2.338 624 H SER 79 H SER 79 7.032 -5.473 -4.963 625 HA SER 79 HA SER 79 9.554 -5.117 -3.827 626 1HB SER 79 1HB SER 79 8.874 -4.632 -6.736 627 2HB SER 79 2HB SER 79 10.301 -5.425 -6.056 628 HG SER 79 HG SER 79 9.027 -7.199 -5.536 629 H LEU 80 H LEU 80 7.312 -2.773 -5.171 630 HA LEU 80 HA LEU 80 7.341 -0.597 -5.702 631 1HB LEU 80 1HB LEU 80 9.357 -0.591 -3.473 632 2HB LEU 80 2HB LEU 80 9.232 0.828 -4.478 633 HG LEU 80 HG LEU 80 6.863 1.092 -3.964 634 1HD1 LEU 80 1HD1 LEU 80 5.777 -0.278 -2.193 635 2HD1 LEU 80 2HD1 LEU 80 6.076 -1.185 -3.666 636 3HD1 LEU 80 3HD1 LEU 80 7.143 -1.409 -2.257 637 1HD2 LEU 80 1HD2 LEU 80 7.092 1.672 -1.586 638 2HD2 LEU 80 2HD2 LEU 80 8.545 0.655 -1.463 639 3HD2 LEU 80 3HD2 LEU 80 8.551 2.109 -2.485 640 H GLU 81 H GLU 81 8.819 1.233 -6.665 641 HA GLU 81 HA GLU 81 10.965 0.081 -8.322 642 1HB GLU 81 1HB GLU 81 9.999 0.708 -10.425 643 2HB GLU 81 2HB GLU 81 8.970 -0.416 -9.568 644 1HG GLU 81 1HG GLU 81 7.460 1.094 -10.492 645 2HG GLU 81 2HG GLU 81 7.565 1.594 -8.813 646 H GLY 82 H GLY 82 9.564 2.858 -6.728 647 1HA GLY 82 1HA GLY 82 11.100 4.091 -5.551 648 2HA GLY 82 2HA GLY 82 12.340 3.798 -6.767 649 H HIS 83 H HIS 83 9.808 4.878 -8.651 650 HA HIS 83 HA HIS 83 10.887 7.635 -8.667 651 1HB HIS 83 1HB HIS 83 8.811 6.318 -10.463 652 2HB HIS 83 2HB HIS 83 9.526 7.907 -10.682 653 HD1 HIS 83 HD1 HIS 83 10.155 4.327 -11.548 654 HD2 HIS 83 HD2 HIS 83 12.293 7.948 -11.215 655 HE1 HIS 83 HE1 HIS 83 12.349 3.991 -12.810 656 H HIS 84 H HIS 84 9.151 9.387 -8.942 657 HA HIS 84 HA HIS 84 6.723 8.921 -7.270 658 1HB HIS 84 1HB HIS 84 8.555 11.354 -7.258 659 2HB HIS 84 2HB HIS 84 7.011 11.243 -6.423 660 HD1 HIS 84 HD1 HIS 84 8.270 8.002 -5.606 661 HD2 HIS 84 HD2 HIS 84 9.318 11.954 -4.598 662 HE1 HIS 84 HE1 HIS 84 9.511 7.869 -3.383 663 H ARG 85 H ARG 85 7.280 8.882 -10.263 664 HA ARG 85 HA ARG 85 5.097 10.563 -11.136 665 1HB ARG 85 1HB ARG 85 6.560 11.536 -13.041 666 2HB ARG 85 2HB ARG 85 6.582 12.287 -11.466 667 1HG ARG 85 1HG ARG 85 8.793 12.303 -12.354 668 2HG ARG 85 2HG ARG 85 8.755 11.294 -10.928 669 1HD ARG 85 1HD ARG 85 10.178 10.270 -12.610 670 2HD ARG 85 2HD ARG 85 8.761 9.257 -12.369 671 HE ARG 85 HE ARG 85 8.078 9.633 -14.517 672 1HH1 ARG 85 1HH2 ARG 85 10.763 11.887 -13.896 673 2HH1 ARG 85 2HH2 ARG 85 10.785 12.479 -15.515 674 1HH2 ARG 85 1HH1 ARG 85 8.003 10.474 -16.502 675 2HH2 ARG 85 2HH1 ARG 85 9.183 11.616 -17.092 676 H PHE 86 H PHE 86 4.737 10.091 -13.584 677 HA PHE 86 HA PHE 86 5.077 7.182 -13.964 678 1HB PHE 86 1HB PHE 86 3.483 7.477 -15.807 679 2HB PHE 86 2HB PHE 86 2.847 7.984 -14.261 680 HD1 PHE 86 HD1 PHE 86 4.414 9.362 -17.421 681 HD2 PHE 86 HD2 PHE 86 1.772 10.056 -14.081 682 HE1 PHE 86 HE1 PHE 86 3.701 11.502 -18.433 683 HE2 PHE 86 HE2 PHE 86 1.073 12.217 -15.100 684 HZ PHE 86 HZ PHE 86 2.030 12.937 -17.277 685 H SER 87 H SER 87 5.950 6.350 -15.959 686 HA SER 87 HA SER 87 7.510 8.233 -17.663 687 1HB SER 87 1HB SER 87 8.490 5.643 -16.389 688 2HB SER 87 2HB SER 87 9.409 6.664 -17.511 689 HG SER 87 HG SER 87 9.916 7.081 -15.308 690 H ILE 88 H ILE 88 8.172 7.264 -19.729 691 HA ILE 88 HA ILE 88 6.398 5.098 -20.702 692 HB ILE 88 HB ILE 88 6.769 7.803 -22.074 693 1HG1 ILE 88 1HG1 ILE 88 4.427 6.701 -20.477 694 2HG1 ILE 88 2HG1 ILE 88 5.347 8.164 -20.143 695 1HG2 ILE 88 1HG2 ILE 88 6.466 5.813 -23.574 696 2HG2 ILE 88 2HG2 ILE 88 4.925 5.473 -22.749 697 3HG2 ILE 88 3HG2 ILE 88 5.142 6.964 -23.691 698 1HD1 ILE 88 1HD1 ILE 88 3.208 8.788 -20.990 699 2HD1 ILE 88 2HD1 ILE 88 4.417 9.182 -22.233 700 3HD1 ILE 88 3HD1 ILE 88 3.368 7.748 -22.407 701 H VAL 89 H VAL 89 7.615 3.663 -21.797 702 HA VAL 89 HA VAL 89 10.463 4.351 -22.387 703 HB VAL 89 HB VAL 89 9.343 1.977 -20.819 704 1HG1 VAL 89 1HG1 VAL 89 11.474 1.387 -21.902 705 2HG1 VAL 89 2HG1 VAL 89 12.230 2.871 -21.268 706 3HG1 VAL 89 3HG1 VAL 89 11.712 1.573 -20.172 707 1HG2 VAL 89 1HG2 VAL 89 9.102 3.967 -19.427 708 2HG2 VAL 89 2HG2 VAL 89 10.439 3.000 -18.826 709 3HG2 VAL 89 3HG2 VAL 89 10.773 4.461 -19.781 710 H TYR 90 H TYR 90 11.506 2.821 -23.889 711 HA TYR 90 HA TYR 90 9.738 0.955 -25.330 712 1HB TYR 90 1HB TYR 90 9.539 3.265 -26.391 713 2HB TYR 90 2HB TYR 90 11.238 3.147 -26.811 714 HD1 TYR 90 HD1 TYR 90 7.839 1.757 -27.400 715 HD2 TYR 90 HD2 TYR 90 11.962 1.731 -28.681 716 HE1 TYR 90 HE1 TYR 90 7.183 0.566 -29.470 717 HE2 TYR 90 HE2 TYR 90 11.318 0.533 -30.747 718 HH TYR 90 HH TYR 90 9.571 -0.397 -31.981 719 H SER 91 H SER 91 12.987 2.276 -24.753 720 HA SER 91 HA SER 91 14.592 0.577 -26.195 721 1HB SER 91 1HB SER 91 15.150 1.519 -23.358 722 2HB SER 91 2HB SER 91 16.322 1.184 -24.641 723 HG SER 91 HG SER 91 15.896 3.447 -24.423 Start of MODEL 8 1 1H MET 1 1H MET 1 1.435 -0.703 1.604 2 2H MET 1 2H MET 1 0.576 0.706 1.562 3 3H MET 1 3H MET 1 -0.081 -0.668 0.958 4 HA MET 1 HA MET 1 0.513 0.489 -0.899 5 1HB MET 1 1HB MET 1 3.023 1.166 0.650 6 2HB MET 1 2HB MET 1 3.095 0.984 -1.097 7 1HG MET 1 1HG MET 1 1.014 2.547 -1.160 8 2HG MET 1 2HG MET 1 1.503 3.002 0.467 9 1HE MET 1 1HE MET 1 4.429 2.348 -2.510 10 2HE MET 1 2HE MET 1 2.752 2.239 -3.032 11 3HE MET 1 3HE MET 1 3.749 3.643 -3.514 12 H LEU 2 H LEU 2 1.509 -0.367 -2.775 13 HA LEU 2 HA LEU 2 2.553 -3.131 -2.632 14 1HB LEU 2 1HB LEU 2 -0.213 -2.163 -3.062 15 2HB LEU 2 2HB LEU 2 0.399 -2.983 -4.475 16 HG LEU 2 HG LEU 2 1.017 -4.941 -3.094 17 1HD1 LEU 2 1HD1 LEU 2 -0.367 -3.344 -0.935 18 2HD1 LEU 2 2HD1 LEU 2 -0.439 -5.112 -0.915 19 3HD1 LEU 2 3HD1 LEU 2 1.125 -4.292 -0.850 20 1HD2 LEU 2 1HD2 LEU 2 -1.328 -5.786 -3.009 21 2HD2 LEU 2 2HD2 LEU 2 -1.916 -4.123 -3.250 22 3HD2 LEU 2 3HD2 LEU 2 -0.959 -4.925 -4.504 23 H GLN 3 H GLN 3 2.574 -3.897 -5.042 24 HA GLN 3 HA GLN 3 3.168 -1.788 -7.009 25 1HB GLN 3 1HB GLN 3 5.296 -2.707 -5.978 26 2HB GLN 3 2HB GLN 3 4.812 -4.313 -6.535 27 1HG GLN 3 1HG GLN 3 4.765 -3.086 -8.914 28 2HG GLN 3 2HG GLN 3 5.812 -1.934 -8.096 29 1HE2 GLN 3 2HE2 GLN 3 7.414 -3.706 -6.478 30 2HE2 GLN 3 1HE2 GLN 3 8.341 -4.689 -7.591 31 H TYR 4 H TYR 4 2.533 -2.464 -9.153 32 HA TYR 4 HA TYR 4 1.396 -5.201 -9.391 33 1HB TYR 4 1HB TYR 4 -0.177 -4.536 -11.040 34 2HB TYR 4 2HB TYR 4 -0.456 -3.669 -9.556 35 HD1 TYR 4 HD1 TYR 4 -1.603 -1.736 -10.148 36 HD2 TYR 4 HD2 TYR 4 1.718 -2.889 -12.655 37 HE1 TYR 4 HE1 TYR 4 -1.750 0.403 -11.352 38 HE2 TYR 4 HE2 TYR 4 1.610 -0.743 -13.794 39 HH TYR 4 HH TYR 4 -0.823 1.747 -13.045 40 H ARG 5 H ARG 5 1.595 -6.113 -11.521 41 HA ARG 5 HA ARG 5 3.380 -4.779 -13.461 42 1HB ARG 5 1HB ARG 5 3.527 -7.749 -12.752 43 2HB ARG 5 2HB ARG 5 4.388 -6.959 -14.076 44 1HG ARG 5 1HG ARG 5 5.737 -5.664 -12.486 45 2HG ARG 5 2HG ARG 5 4.802 -6.300 -11.128 46 1HD ARG 5 1HD ARG 5 5.547 -8.659 -12.006 47 2HD ARG 5 2HD ARG 5 6.754 -7.763 -12.926 48 HE ARG 5 HE ARG 5 7.934 -7.371 -10.989 49 1HH1 ARG 5 1HH2 ARG 5 4.661 -8.449 -10.055 50 2HH1 ARG 5 2HH2 ARG 5 5.074 -8.566 -8.361 51 1HH2 ARG 5 1HH1 ARG 5 8.409 -7.624 -8.703 52 2HH2 ARG 5 2HH1 ARG 5 7.130 -8.124 -7.630 53 H ILE 6 H ILE 6 2.249 -4.816 -15.415 54 HA ILE 6 HA ILE 6 -0.117 -6.615 -15.657 55 HB ILE 6 HB ILE 6 -0.012 -3.591 -16.019 56 1HG1 ILE 6 1HG1 ILE 6 -1.752 -5.232 -14.136 57 2HG1 ILE 6 2HG1 ILE 6 -0.284 -4.396 -13.644 58 1HG2 ILE 6 1HG2 ILE 6 -1.365 -4.529 -17.808 59 2HG2 ILE 6 2HG2 ILE 6 -2.292 -5.516 -16.650 60 3HG2 ILE 6 3HG2 ILE 6 -2.430 -3.748 -16.663 61 1HD1 ILE 6 1HD1 ILE 6 -2.076 -3.005 -13.013 62 2HD1 ILE 6 2HD1 ILE 6 -1.286 -2.237 -14.398 63 3HD1 ILE 6 3HD1 ILE 6 -2.841 -3.091 -14.603 64 H ILE 7 H ILE 7 -0.487 -7.237 -17.790 65 HA ILE 7 HA ILE 7 1.081 -5.935 -19.896 66 HB ILE 7 HB ILE 7 0.791 -8.703 -20.612 67 1HG1 ILE 7 1HG1 ILE 7 1.066 -9.204 -18.135 68 2HG1 ILE 7 2HG1 ILE 7 2.136 -9.982 -19.276 69 1HG2 ILE 7 1HG2 ILE 7 2.246 -7.134 -21.727 70 2HG2 ILE 7 2HG2 ILE 7 3.240 -6.949 -20.278 71 3HG2 ILE 7 3HG2 ILE 7 3.183 -8.513 -21.130 72 1HD1 ILE 7 1HD1 ILE 7 2.969 -7.583 -17.596 73 2HD1 ILE 7 2HD1 ILE 7 3.318 -9.279 -17.233 74 3HD1 ILE 7 3HD1 ILE 7 3.997 -8.532 -18.686 75 H VAL 8 H VAL 8 -0.197 -5.558 -21.698 76 HA VAL 8 HA VAL 8 -2.942 -6.666 -21.774 77 HB VAL 8 HB VAL 8 -3.671 -4.210 -22.111 78 1HG1 VAL 8 1HG1 VAL 8 -4.047 -3.888 -19.700 79 2HG1 VAL 8 2HG1 VAL 8 -4.383 -5.533 -20.245 80 3HG1 VAL 8 3HG1 VAL 8 -2.896 -5.188 -19.345 81 1HG2 VAL 8 1HG2 VAL 8 -1.187 -3.583 -20.452 82 2HG2 VAL 8 2HG2 VAL 8 -1.410 -3.169 -22.165 83 3HG2 VAL 8 3HG2 VAL 8 -2.473 -2.463 -20.944 84 H ASP 9 H ASP 9 -3.953 -6.502 -23.796 85 HA ASP 9 HA ASP 9 -2.554 -5.096 -25.974 86 1HB ASP 9 1HB ASP 9 -1.736 -7.390 -26.232 87 2HB ASP 9 2HB ASP 9 -3.383 -8.014 -26.149 88 H GLY 10 H GLY 10 -4.064 -4.624 -27.722 89 1HA GLY 10 1HA GLY 10 -6.712 -4.804 -28.079 90 2HA GLY 10 2HA GLY 10 -6.634 -3.859 -26.574 91 H ARG 11 H ARG 11 -7.465 -1.997 -27.808 92 HA ARG 11 HA ARG 11 -5.381 -0.652 -29.460 93 1HB ARG 11 1HB ARG 11 -7.692 -0.182 -30.151 94 2HB ARG 11 2HB ARG 11 -8.068 0.454 -28.539 95 1HG ARG 11 1HG ARG 11 -6.455 2.271 -28.799 96 2HG ARG 11 2HG ARG 11 -5.797 1.549 -30.263 97 1HD ARG 11 1HD ARG 11 -7.227 3.397 -30.888 98 2HD ARG 11 2HD ARG 11 -7.944 1.877 -31.429 99 HE ARG 11 HE ARG 11 -8.865 2.963 -28.822 100 1HH1 ARG 11 1HH1 ARG 11 -9.560 2.678 -32.302 101 2HH1 ARG 11 2HH1 ARG 11 -11.230 3.069 -32.130 102 1HH2 ARG 11 1HH2 ARG 11 -11.009 3.497 -28.600 103 2HH2 ARG 11 2HH2 ARG 11 -12.096 3.545 -29.959 104 H VAL 12 H VAL 12 -3.763 -0.812 -27.932 105 HA VAL 12 HA VAL 12 -4.061 0.890 -25.500 106 HB VAL 12 HB VAL 12 -2.588 -0.706 -24.327 107 1HG1 VAL 12 1HG1 VAL 12 -4.170 -2.481 -23.940 108 2HG1 VAL 12 2HG1 VAL 12 -5.046 -0.951 -24.135 109 3HG1 VAL 12 3HG1 VAL 12 -5.026 -2.138 -25.452 110 1HG2 VAL 12 1HG2 VAL 12 -2.051 -2.913 -25.187 111 2HG2 VAL 12 2HG2 VAL 12 -2.885 -2.587 -26.717 112 3HG2 VAL 12 3HG2 VAL 12 -1.404 -1.708 -26.297 113 H GLN 13 H GLN 13 -2.847 1.195 -28.443 114 HA GLN 13 HA GLN 13 -0.239 2.204 -27.568 115 1HB GLN 13 1HB GLN 13 -0.004 -0.232 -28.162 116 2HB GLN 13 2HB GLN 13 -0.614 0.122 -29.778 117 1HG GLN 13 1HG GLN 13 1.866 -0.093 -29.689 118 2HG GLN 13 2HG GLN 13 1.352 1.486 -30.283 119 1HE2 GLN 13 2HE2 GLN 13 2.190 -0.156 -27.176 120 2HE2 GLN 13 1HE2 GLN 13 2.931 1.243 -26.435 121 H GLY 14 H GLY 14 0.638 3.771 -28.805 122 1HA GLY 14 1HA GLY 14 0.620 4.914 -31.070 123 2HA GLY 14 2HA GLY 14 -1.125 5.086 -30.809 124 H VAL 15 H VAL 15 0.263 7.410 -31.076 125 HA VAL 15 HA VAL 15 1.174 8.577 -28.614 126 HB VAL 15 HB VAL 15 -0.082 9.896 -31.068 127 1HG1 VAL 15 1HG1 VAL 15 1.140 11.922 -30.328 128 2HG1 VAL 15 2HG1 VAL 15 -0.046 11.421 -29.122 129 3HG1 VAL 15 3HG1 VAL 15 1.679 11.072 -28.863 130 1HG2 VAL 15 1HG2 VAL 15 2.272 10.347 -31.755 131 2HG2 VAL 15 2HG2 VAL 15 2.849 9.352 -30.400 132 3HG2 VAL 15 3HG2 VAL 15 1.920 8.621 -31.727 133 H GLY 16 H GLY 16 -0.036 9.221 -26.874 134 1HA GLY 16 1HA GLY 16 -1.886 9.750 -25.569 135 2HA GLY 16 2HA GLY 16 -2.909 9.739 -27.006 136 H PHE 17 H PHE 17 -2.529 7.241 -28.056 137 HA PHE 17 HA PHE 17 -4.251 5.688 -26.478 138 1HB PHE 17 1HB PHE 17 -2.618 5.017 -28.920 139 2HB PHE 17 2HB PHE 17 -3.765 3.893 -28.198 140 HD1 PHE 17 HD1 PHE 17 -3.385 6.725 -30.436 141 HD2 PHE 17 HD2 PHE 17 -6.211 4.572 -27.988 142 HE1 PHE 17 HE1 PHE 17 -5.256 7.742 -31.701 143 HE2 PHE 17 HE2 PHE 17 -8.082 5.586 -29.270 144 HZ PHE 17 HZ PHE 17 -7.611 7.177 -31.121 145 H ARG 18 H ARG 18 -0.644 5.554 -26.470 146 HA ARG 18 HA ARG 18 -0.939 3.392 -24.436 147 1HB ARG 18 1HB ARG 18 1.300 3.063 -24.349 148 2HB ARG 18 2HB ARG 18 1.021 3.342 -26.055 149 1HG ARG 18 1HG ARG 18 2.091 5.523 -25.948 150 2HG ARG 18 2HG ARG 18 2.050 5.528 -24.181 151 1HD ARG 18 1HD ARG 18 4.265 5.101 -24.763 152 2HD ARG 18 2HD ARG 18 3.593 3.603 -24.097 153 HE ARG 18 HE ARG 18 3.396 3.639 -26.974 154 1HH1 ARG 18 1HH1 ARG 18 5.858 3.291 -24.396 155 2HH1 ARG 18 2HH1 ARG 18 6.846 2.210 -25.330 156 1HH2 ARG 18 1HH2 ARG 18 4.836 2.387 -28.222 157 2HH2 ARG 18 2HH2 ARG 18 6.343 1.803 -27.537 158 H TYR 19 H TYR 19 -0.812 6.854 -24.572 159 HA TYR 19 HA TYR 19 0.400 7.339 -22.013 160 1HB TYR 19 1HB TYR 19 0.132 8.929 -24.034 161 2HB TYR 19 2HB TYR 19 -1.530 9.153 -23.486 162 HD1 TYR 19 HD1 TYR 19 2.010 9.904 -22.821 163 HD2 TYR 19 HD2 TYR 19 -2.035 10.351 -21.419 164 HE1 TYR 19 HE1 TYR 19 2.758 11.685 -21.267 165 HE2 TYR 19 HE2 TYR 19 -1.306 12.150 -19.864 166 HH TYR 19 HH TYR 19 0.484 13.417 -19.083 167 H PHE 20 H PHE 20 -2.927 6.653 -23.069 168 HA PHE 20 HA PHE 20 -4.404 7.663 -21.108 169 1HB PHE 20 1HB PHE 20 -6.090 6.091 -21.514 170 2HB PHE 20 2HB PHE 20 -5.182 6.149 -23.008 171 HD1 PHE 20 HD1 PHE 20 -6.674 3.961 -20.621 172 HD2 PHE 20 HD2 PHE 20 -3.204 4.288 -23.143 173 HE1 PHE 20 HE1 PHE 20 -6.523 1.498 -20.726 174 HE2 PHE 20 HE2 PHE 20 -3.025 1.823 -23.223 175 HZ PHE 20 HZ PHE 20 -4.707 0.413 -22.039 176 H VAL 21 H VAL 21 -2.595 4.587 -20.576 177 HA VAL 21 HA VAL 21 -3.613 4.209 -17.946 178 HB VAL 21 HB VAL 21 -1.433 2.837 -17.712 179 1HG1 VAL 21 1HG1 VAL 21 -3.575 1.817 -18.032 180 2HG1 VAL 21 2HG1 VAL 21 -3.623 2.291 -19.736 181 3HG1 VAL 21 3HG1 VAL 21 -2.494 1.046 -19.207 182 1HG2 VAL 21 1HG2 VAL 21 -0.324 2.098 -19.679 183 2HG2 VAL 21 2HG2 VAL 21 -1.341 3.086 -20.733 184 3HG2 VAL 21 3HG2 VAL 21 -0.171 3.859 -19.626 185 H GLN 22 H GLN 22 -0.894 6.227 -19.161 186 HA GLN 22 HA GLN 22 -0.014 6.688 -16.423 187 1HB GLN 22 1HB GLN 22 0.811 8.160 -18.930 188 2HB GLN 22 2HB GLN 22 1.593 8.198 -17.353 189 1HG GLN 22 1HG GLN 22 1.448 5.854 -19.288 190 2HG GLN 22 2HG GLN 22 2.859 6.775 -18.813 191 1HE2 GLN 22 2HE2 GLN 22 4.248 5.464 -17.566 192 2HE2 GLN 22 1HE2 GLN 22 3.667 4.388 -16.314 193 H MET 23 H MET 23 -2.363 8.170 -18.593 194 HA MET 23 HA MET 23 -2.867 10.486 -16.921 195 1HB MET 23 1HB MET 23 -5.062 8.904 -18.317 196 2HB MET 23 2HB MET 23 -5.102 10.564 -17.762 197 1HG MET 23 1HG MET 23 -3.315 11.083 -19.463 198 2HG MET 23 2HG MET 23 -3.566 9.457 -20.116 199 1HE MET 23 1HE MET 23 -6.069 8.797 -21.526 200 2HE MET 23 2HE MET 23 -6.631 8.947 -19.840 201 3HE MET 23 3HE MET 23 -7.471 9.798 -21.152 202 H GLU 24 H GLU 24 -4.354 7.168 -16.907 203 HA GLU 24 HA GLU 24 -5.917 7.600 -14.560 204 1HB GLU 24 1HB GLU 24 -4.759 5.078 -15.865 205 2HB GLU 24 2HB GLU 24 -5.801 4.990 -14.457 206 1HG GLU 24 1HG GLU 24 -6.605 6.318 -17.096 207 2HG GLU 24 2HG GLU 24 -6.974 4.648 -16.650 208 H ALA 25 H ALA 25 -2.550 6.481 -14.947 209 HA ALA 25 HA ALA 25 -2.019 5.795 -12.271 210 1HB ALA 25 1HB ALA 25 -0.504 5.336 -14.233 211 2HB ALA 25 2HB ALA 25 -0.099 7.072 -14.287 212 3HB ALA 25 3HB ALA 25 0.348 6.113 -12.881 213 H ASP 26 H ASP 26 -1.484 8.900 -13.989 214 HA ASP 26 HA ASP 26 -0.498 10.381 -11.772 215 1HB ASP 26 1HB ASP 26 -0.281 11.176 -14.069 216 2HB ASP 26 2HB ASP 26 -2.025 11.281 -14.255 217 H LYS 27 H LYS 27 -3.786 10.087 -13.107 218 HA LYS 27 HA LYS 27 -5.164 11.714 -11.280 219 1HB LYS 27 1HB LYS 27 -5.951 10.960 -13.449 220 2HB LYS 27 2HB LYS 27 -5.984 9.287 -12.927 221 1HG LYS 27 1HG LYS 27 -7.666 11.289 -11.426 222 2HG LYS 27 2HG LYS 27 -8.134 10.862 -13.072 223 1HD LYS 27 1HD LYS 27 -7.679 8.780 -10.914 224 2HD LYS 27 2HD LYS 27 -9.256 9.491 -11.253 225 1HE LYS 27 1HE LYS 27 -7.527 7.936 -13.226 226 2HE LYS 27 2HE LYS 27 -8.891 7.285 -12.340 227 1HZ LYS 27 1HZ LYS 27 -9.404 7.961 -14.633 228 2HZ LYS 27 2HZ LYS 27 -10.377 8.704 -13.529 229 3HZ LYS 27 3HZ LYS 27 -9.158 9.528 -14.253 230 H ARG 28 H ARG 28 -4.035 8.385 -10.915 231 HA ARG 28 HA ARG 28 -5.432 8.130 -8.293 232 1HB ARG 28 1HB ARG 28 -4.110 6.119 -10.160 233 2HB ARG 28 2HB ARG 28 -4.749 5.696 -8.569 234 1HG ARG 28 1HG ARG 28 -6.981 6.254 -9.143 235 2HG ARG 28 2HG ARG 28 -6.471 7.062 -10.644 236 1HD ARG 28 1HD ARG 28 -5.609 4.861 -11.454 237 2HD ARG 28 2HD ARG 28 -6.493 4.097 -10.116 238 HE ARG 28 HE ARG 28 -7.509 5.070 -12.640 239 1HH1 ARG 28 1HH2 ARG 28 -8.607 4.977 -9.246 240 2HH1 ARG 28 2HH2 ARG 28 -10.275 4.963 -9.688 241 1HH2 ARG 28 1HH1 ARG 28 -9.557 5.089 -13.179 242 2HH2 ARG 28 2HH1 ARG 28 -10.869 4.944 -12.020 243 H LYS 29 H LYS 29 -2.685 9.570 -9.172 244 HA LYS 29 HA LYS 29 -0.674 9.960 -8.329 245 1HB LYS 29 1HB LYS 29 -2.122 9.362 -5.717 246 2HB LYS 29 2HB LYS 29 -0.484 9.974 -5.796 247 1HG LYS 29 1HG LYS 29 -1.847 11.830 -5.385 248 2HG LYS 29 2HG LYS 29 -1.206 11.976 -7.011 249 1HD LYS 29 1HD LYS 29 -3.500 12.774 -6.867 250 2HD LYS 29 2HD LYS 29 -3.403 11.406 -7.964 251 1HE LYS 29 1HE LYS 29 -4.254 9.909 -6.138 252 2HE LYS 29 2HE LYS 29 -4.336 11.302 -5.056 253 1HZ LYS 29 1HZ LYS 29 -5.978 12.287 -6.542 254 2HZ LYS 29 2HZ LYS 29 -5.902 11.008 -7.567 255 3HZ LYS 29 3HZ LYS 29 -6.486 10.822 -6.048 256 H LEU 30 H LEU 30 -0.985 7.398 -9.426 257 HA LEU 30 HA LEU 30 0.745 5.544 -7.893 258 1HB LEU 30 1HB LEU 30 -0.355 5.488 -10.740 259 2HB LEU 30 2HB LEU 30 0.619 4.216 -10.011 260 HG LEU 30 HG LEU 30 -2.194 5.053 -9.198 261 1HD1 LEU 30 1HD1 LEU 30 -2.751 2.761 -9.936 262 2HD1 LEU 30 2HD1 LEU 30 -2.044 3.715 -11.250 263 3HD1 LEU 30 3HD1 LEU 30 -1.055 2.505 -10.417 264 1HD2 LEU 30 1HD2 LEU 30 -1.104 4.431 -7.153 265 2HD2 LEU 30 2HD2 LEU 30 -2.049 3.030 -7.670 266 3HD2 LEU 30 3HD2 LEU 30 -0.293 3.050 -7.938 267 H ALA 31 H ALA 31 2.787 4.819 -9.000 268 HA ALA 31 HA ALA 31 4.018 6.759 -10.868 269 1HB ALA 31 1HB ALA 31 6.042 6.841 -9.435 270 2HB ALA 31 2HB ALA 31 4.652 7.558 -8.607 271 3HB ALA 31 3HB ALA 31 5.208 5.920 -8.174 272 H GLY 32 H GLY 32 5.294 5.619 -12.385 273 1HA GLY 32 1HA GLY 32 6.446 3.069 -12.153 274 2HA GLY 32 2HA GLY 32 4.733 2.843 -12.530 275 H TRP 33 H TRP 33 6.346 1.854 -14.415 276 HA TRP 33 HA TRP 33 6.535 3.954 -16.507 277 1HB TRP 33 1HB TRP 33 8.059 2.639 -17.710 278 2HB TRP 33 2HB TRP 33 8.630 2.847 -16.080 279 HD1 TRP 33 HD1 TRP 33 6.476 -0.045 -17.654 280 HE1 TRP 33 HE1 TRP 33 7.666 -2.260 -17.268 281 HE3 TRP 33 HE3 TRP 33 10.686 1.718 -15.323 282 HZ2 TRP 33 HZ2 TRP 33 10.107 -3.177 -16.030 283 HZ3 TRP 33 HZ3 TRP 33 12.443 0.139 -14.574 284 HH2 TRP 33 HH2 TRP 33 12.164 -2.310 -14.914 285 H VAL 34 H VAL 34 5.826 3.487 -18.648 286 HA VAL 34 HA VAL 34 4.316 0.959 -19.042 287 HB VAL 34 HB VAL 34 2.710 2.834 -18.970 288 1HG1 VAL 34 1HG1 VAL 34 2.624 4.489 -20.787 289 2HG1 VAL 34 2HG1 VAL 34 4.127 4.653 -19.858 290 3HG1 VAL 34 3HG1 VAL 34 4.143 3.869 -21.450 291 1HG2 VAL 34 1HG2 VAL 34 3.020 1.603 -21.738 292 2HG2 VAL 34 2HG2 VAL 34 2.223 0.855 -20.334 293 3HG2 VAL 34 3HG2 VAL 34 1.551 2.320 -21.072 294 H LYS 35 H LYS 35 4.801 -0.102 -20.964 295 HA LYS 35 HA LYS 35 6.988 0.894 -22.716 296 1HB LYS 35 1HB LYS 35 7.977 -0.161 -20.661 297 2HB LYS 35 2HB LYS 35 6.984 -1.587 -20.942 298 1HG LYS 35 1HG LYS 35 8.271 -2.052 -23.039 299 2HG LYS 35 2HG LYS 35 9.231 -0.598 -22.753 300 1HD LYS 35 1HD LYS 35 10.479 -2.553 -22.022 301 2HD LYS 35 2HD LYS 35 10.029 -1.601 -20.593 302 1HE LYS 35 1HE LYS 35 8.066 -3.120 -20.241 303 2HE LYS 35 2HE LYS 35 8.560 -4.077 -21.641 304 1HZ LYS 35 1HZ LYS 35 9.189 -4.997 -19.502 305 2HZ LYS 35 2HZ LYS 35 10.535 -4.722 -20.423 306 3HZ LYS 35 3HZ LYS 35 10.152 -3.725 -19.168 307 H ASN 36 H ASN 36 7.129 -0.528 -24.667 308 HA ASN 36 HA ASN 36 4.779 -2.371 -24.986 309 1HB ASN 36 1HB ASN 36 4.802 -0.415 -26.539 310 2HB ASN 36 2HB ASN 36 6.367 -0.956 -27.147 311 1HD2 ASN 36 2HD2 ASN 36 3.133 -2.499 -26.449 312 2HD2 ASN 36 1HD2 ASN 36 3.080 -3.395 -27.930 313 H ARG 37 H ARG 37 5.247 -4.491 -25.036 314 HA ARG 37 HA ARG 37 8.057 -5.385 -25.132 315 1HB ARG 37 1HB ARG 37 5.381 -6.850 -24.835 316 2HB ARG 37 2HB ARG 37 6.946 -7.664 -24.938 317 1HG ARG 37 1HG ARG 37 7.740 -6.485 -22.929 318 2HG ARG 37 2HG ARG 37 6.189 -5.640 -22.783 319 1HD ARG 37 1HD ARG 37 5.012 -7.723 -22.349 320 2HD ARG 37 2HD ARG 37 6.457 -8.673 -22.759 321 HE ARG 37 HE ARG 37 6.905 -6.797 -20.571 322 1HH1 ARG 37 1HH2 ARG 37 5.728 -10.089 -21.281 323 2HH1 ARG 37 2HH2 ARG 37 6.094 -10.675 -19.702 324 1HH2 ARG 37 1HH1 ARG 37 7.366 -7.513 -18.618 325 2HH2 ARG 37 2HH1 ARG 37 7.077 -9.160 -18.094 326 H ASP 38 H ASP 38 8.894 -6.620 -26.835 327 HA ASP 38 HA ASP 38 8.206 -5.809 -29.424 328 1HB ASP 38 1HB ASP 38 10.428 -6.599 -28.783 329 2HB ASP 38 2HB ASP 38 9.800 -8.223 -28.490 330 H ASP 39 H ASP 39 7.041 -8.605 -27.594 331 HA ASP 39 HA ASP 39 5.956 -10.120 -29.737 332 1HB ASP 39 1HB ASP 39 6.272 -10.979 -27.448 333 2HB ASP 39 2HB ASP 39 5.016 -9.884 -26.855 334 H GLY 40 H GLY 40 4.781 -7.172 -28.179 335 1HA GLY 40 1HA GLY 40 3.420 -5.937 -29.863 336 2HA GLY 40 2HA GLY 40 2.260 -7.271 -29.782 337 H ARG 41 H ARG 41 2.491 -7.698 -26.890 338 HA ARG 41 HA ARG 41 0.475 -5.807 -26.086 339 1HB ARG 41 1HB ARG 41 0.958 -6.821 -23.729 340 2HB ARG 41 2HB ARG 41 0.090 -7.714 -24.934 341 1HG ARG 41 1HG ARG 41 3.075 -8.150 -24.642 342 2HG ARG 41 2HG ARG 41 1.972 -8.821 -23.446 343 1HD ARG 41 1HD ARG 41 1.811 -9.405 -26.421 344 2HD ARG 41 2HD ARG 41 2.512 -10.462 -25.185 345 HE ARG 41 HE ARG 41 -0.106 -9.887 -24.350 346 1HH1 ARG 41 1HH1 ARG 41 1.497 -11.594 -27.030 347 2HH1 ARG 41 2HH1 ARG 41 0.137 -12.622 -27.352 348 1HH2 ARG 41 2HH2 ARG 41 -1.921 -11.236 -24.787 349 2HH2 ARG 41 1HH2 ARG 41 -1.816 -12.436 -26.032 350 H VAL 42 H VAL 42 0.472 -4.333 -24.417 351 HA VAL 42 HA VAL 42 2.978 -2.814 -23.982 352 HB VAL 42 HB VAL 42 0.006 -2.300 -23.632 353 1HG1 VAL 42 1HG1 VAL 42 0.924 -1.465 -21.520 354 2HG1 VAL 42 2HG1 VAL 42 2.200 -0.593 -22.401 355 3HG1 VAL 42 3HG1 VAL 42 0.497 -0.120 -22.580 356 1HG2 VAL 42 1HG2 VAL 42 1.048 -1.791 -25.794 357 2HG2 VAL 42 2HG2 VAL 42 0.582 -0.301 -24.964 358 3HG2 VAL 42 3HG2 VAL 42 2.283 -0.788 -24.964 359 H GLU 43 H GLU 43 3.699 -2.485 -21.854 360 HA GLU 43 HA GLU 43 2.747 -4.382 -19.787 361 1HB GLU 43 1HB GLU 43 4.908 -5.152 -20.846 362 2HB GLU 43 2HB GLU 43 5.616 -3.592 -20.444 363 1HG GLU 43 1HG GLU 43 4.851 -4.328 -17.945 364 2HG GLU 43 2HG GLU 43 4.954 -5.929 -18.666 365 H ILE 44 H ILE 44 2.693 -3.419 -17.725 366 HA ILE 44 HA ILE 44 3.486 -0.583 -17.467 367 HB ILE 44 HB ILE 44 0.996 -1.625 -16.175 368 1HG1 ILE 44 1HG1 ILE 44 0.844 -0.596 -19.031 369 2HG1 ILE 44 2HG1 ILE 44 0.579 -2.274 -18.538 370 1HG2 ILE 44 1HG2 ILE 44 0.372 0.719 -16.148 371 2HG2 ILE 44 2HG2 ILE 44 2.063 0.636 -15.696 372 3HG2 ILE 44 3HG2 ILE 44 1.627 1.124 -17.341 373 1HD1 ILE 44 1HD1 ILE 44 -1.556 -1.229 -18.820 374 2HD1 ILE 44 2HD1 ILE 44 -1.309 -1.573 -17.096 375 3HD1 ILE 44 3HD1 ILE 44 -1.127 0.082 -17.709 376 H LEU 45 H LEU 45 4.347 -0.187 -15.358 377 HA LEU 45 HA LEU 45 4.079 -2.321 -13.303 378 1HB LEU 45 1HB LEU 45 6.011 -2.957 -14.730 379 2HB LEU 45 2HB LEU 45 6.780 -1.407 -14.398 380 HG LEU 45 HG LEU 45 6.037 -3.400 -12.213 381 1HD1 LEU 45 1HD1 LEU 45 8.707 -3.086 -13.645 382 2HD1 LEU 45 2HD1 LEU 45 8.356 -4.185 -12.289 383 3HD1 LEU 45 3HD1 LEU 45 7.579 -4.442 -13.856 384 1HD2 LEU 45 1HD2 LEU 45 7.845 -0.950 -12.274 385 2HD2 LEU 45 2HD2 LEU 45 6.509 -1.307 -11.154 386 3HD2 LEU 45 3HD2 LEU 45 7.999 -2.225 -11.043 387 H ALA 46 H ALA 46 3.585 -1.203 -11.439 388 HA ALA 46 HA ALA 46 4.791 1.434 -10.956 389 1HB ALA 46 1HB ALA 46 2.603 2.534 -10.712 390 2HB ALA 46 2HB ALA 46 2.657 1.814 -12.332 391 3HB ALA 46 3HB ALA 46 1.767 1.017 -11.009 392 H GLU 47 H GLU 47 4.198 2.269 -8.832 393 HA GLU 47 HA GLU 47 3.287 0.225 -6.890 394 1HB GLU 47 1HB GLU 47 4.764 1.180 -5.198 395 2HB GLU 47 2HB GLU 47 5.674 0.512 -6.548 396 1HG GLU 47 1HG GLU 47 6.111 2.757 -7.436 397 2HG GLU 47 2HG GLU 47 5.034 3.481 -6.239 398 H GLY 48 H GLY 48 2.119 1.087 -5.065 399 1HA GLY 48 1HA GLY 48 1.406 3.769 -4.640 400 2HA GLY 48 2HA GLY 48 0.230 3.119 -5.782 401 HA PRO 49 HA PRO 49 -1.172 1.735 -1.570 402 1HB PRO 49 1HB PRO 49 -3.508 3.155 -1.380 403 2HB PRO 49 2HB PRO 49 -1.930 3.752 -0.780 404 1HG PRO 49 1HG PRO 49 -3.330 4.424 -3.356 405 2HG PRO 49 2HG PRO 49 -2.461 5.522 -2.249 406 1HD PRO 49 1HD PRO 49 -1.341 4.490 -4.560 407 2HD PRO 49 2HD PRO 49 -0.379 4.909 -3.113 408 H GLU 50 H GLU 50 -2.716 0.150 -1.350 409 HA GLU 50 HA GLU 50 -3.223 -1.440 -3.488 410 1HB GLU 50 1HB GLU 50 -4.945 -1.287 -0.964 411 2HB GLU 50 2HB GLU 50 -4.901 -2.621 -2.118 412 1HG GLU 50 1HG GLU 50 -3.506 -3.423 -0.487 413 2HG GLU 50 2HG GLU 50 -2.371 -2.723 -1.632 414 H ASN 51 H ASN 51 -5.690 0.808 -2.095 415 HA ASN 51 HA ASN 51 -7.739 0.062 -3.912 416 1HB ASN 51 1HB ASN 51 -8.239 1.303 -1.863 417 2HB ASN 51 2HB ASN 51 -7.289 2.687 -2.422 418 1HD2 ASN 51 2HD2 ASN 51 -10.188 0.686 -3.295 419 2HD2 ASN 51 1HD2 ASN 51 -10.999 1.971 -4.146 420 H ALA 52 H ALA 52 -5.074 2.382 -4.303 421 HA ALA 52 HA ALA 52 -6.193 3.712 -6.661 422 1HB ALA 52 1HB ALA 52 -4.531 4.857 -5.283 423 2HB ALA 52 2HB ALA 52 -3.357 3.540 -5.529 424 3HB ALA 52 3HB ALA 52 -3.849 4.553 -6.887 425 H LEU 53 H LEU 53 -3.820 1.087 -6.009 426 HA LEU 53 HA LEU 53 -3.189 0.594 -8.753 427 1HB LEU 53 1HB LEU 53 -3.018 -1.167 -6.279 428 2HB LEU 53 2HB LEU 53 -2.360 -1.640 -7.838 429 HG LEU 53 HG LEU 53 -1.487 0.915 -6.415 430 1HD1 LEU 53 1HD1 LEU 53 -0.294 -1.878 -6.319 431 2HD1 LEU 53 2HD1 LEU 53 0.472 -0.406 -5.682 432 3HD1 LEU 53 3HD1 LEU 53 -1.037 -0.978 -4.967 433 1HD2 LEU 53 1HD2 LEU 53 -0.944 0.723 -8.876 434 2HD2 LEU 53 2HD2 LEU 53 0.479 0.785 -7.834 435 3HD2 LEU 53 3HD2 LEU 53 -0.037 -0.762 -8.508 436 H GLN 54 H GLN 54 -5.535 -1.011 -6.565 437 HA GLN 54 HA GLN 54 -6.429 -2.832 -8.558 438 1HB GLN 54 1HB GLN 54 -7.819 -1.829 -6.034 439 2HB GLN 54 2HB GLN 54 -8.416 -3.154 -7.033 440 1HG GLN 54 1HG GLN 54 -5.795 -3.109 -5.487 441 2HG GLN 54 2HG GLN 54 -7.232 -4.020 -5.075 442 1HE2 GLN 54 2HE2 GLN 54 -4.353 -4.826 -5.747 443 2HE2 GLN 54 1HE2 GLN 54 -4.529 -6.039 -6.988 444 H SER 55 H SER 55 -7.712 0.379 -7.597 445 HA SER 55 HA SER 55 -9.938 0.223 -9.411 446 1HB SER 55 1HB SER 55 -8.585 2.721 -8.337 447 2HB SER 55 2HB SER 55 -10.226 2.581 -9.013 448 HG SER 55 HG SER 55 -9.166 1.604 -6.600 449 H PHE 56 H PHE 56 -6.557 1.366 -9.827 450 HA PHE 56 HA PHE 56 -6.801 2.289 -12.504 451 1HB PHE 56 1HB PHE 56 -4.814 2.715 -11.189 452 2HB PHE 56 2HB PHE 56 -4.511 1.013 -10.960 453 HD1 PHE 56 HD1 PHE 56 -3.961 -0.461 -12.989 454 HD2 PHE 56 HD2 PHE 56 -3.746 3.869 -13.015 455 HE1 PHE 56 HE1 PHE 56 -2.590 -0.529 -15.042 456 HE2 PHE 56 HE2 PHE 56 -2.245 3.738 -14.954 457 HZ PHE 56 HZ PHE 56 -1.724 1.565 -16.020 458 H VAL 57 H VAL 57 -6.059 -1.057 -11.213 459 HA VAL 57 HA VAL 57 -5.887 -2.273 -13.742 460 HB VAL 57 HB VAL 57 -6.728 -3.368 -11.026 461 1HG1 VAL 57 1HG1 VAL 57 -7.710 -4.897 -12.645 462 2HG1 VAL 57 2HG1 VAL 57 -6.197 -4.940 -13.576 463 3HG1 VAL 57 3HG1 VAL 57 -6.274 -5.642 -11.941 464 1HG2 VAL 57 1HG2 VAL 57 -4.512 -4.248 -10.889 465 2HG2 VAL 57 2HG2 VAL 57 -4.176 -3.867 -12.591 466 3HG2 VAL 57 3HG2 VAL 57 -4.319 -2.571 -11.394 467 H GLU 58 H GLU 58 -8.819 -1.739 -11.693 468 HA GLU 58 HA GLU 58 -10.647 -2.918 -13.500 469 1HB GLU 58 1HB GLU 58 -10.990 -0.659 -11.489 470 2HB GLU 58 2HB GLU 58 -12.333 -1.383 -12.366 471 1HG GLU 58 1HG GLU 58 -10.451 -2.941 -10.547 472 2HG GLU 58 2HG GLU 58 -11.989 -2.261 -10.042 473 H ALA 59 H ALA 59 -9.320 0.406 -13.415 474 HA ALA 59 HA ALA 59 -11.022 1.464 -15.441 475 1HB ALA 59 1HB ALA 59 -8.180 2.321 -14.715 476 2HB ALA 59 2HB ALA 59 -9.420 3.287 -15.533 477 3HB ALA 59 3HB ALA 59 -9.637 2.797 -13.836 478 H VAL 60 H VAL 60 -7.774 -0.118 -15.645 479 HA VAL 60 HA VAL 60 -7.573 0.148 -18.496 480 HB VAL 60 HB VAL 60 -6.308 -2.058 -16.798 481 1HG1 VAL 60 1HG1 VAL 60 -4.562 -1.988 -18.549 482 2HG1 VAL 60 2HG1 VAL 60 -6.140 -2.404 -19.225 483 3HG1 VAL 60 3HG1 VAL 60 -5.489 -0.763 -19.441 484 1HG2 VAL 60 1HG2 VAL 60 -5.457 0.828 -17.217 485 2HG2 VAL 60 2HG2 VAL 60 -5.517 -0.116 -15.715 486 3HG2 VAL 60 3HG2 VAL 60 -4.269 -0.455 -16.886 487 H LYS 61 H LYS 61 -8.729 -2.572 -16.404 488 HA LYS 61 HA LYS 61 -9.338 -4.355 -18.485 489 1HB LYS 61 1HB LYS 61 -9.169 -4.871 -16.045 490 2HB LYS 61 2HB LYS 61 -10.722 -4.067 -15.779 491 1HG LYS 61 1HG LYS 61 -11.851 -5.723 -17.215 492 2HG LYS 61 2HG LYS 61 -10.290 -6.480 -17.600 493 1HD LYS 61 1HD LYS 61 -9.983 -7.061 -15.207 494 2HD LYS 61 2HD LYS 61 -11.541 -6.294 -14.821 495 1HE LYS 61 1HE LYS 61 -12.693 -7.888 -16.347 496 2HE LYS 61 2HE LYS 61 -11.144 -8.653 -16.721 497 1HZ LYS 61 1HZ LYS 61 -10.973 -9.294 -14.385 498 2HZ LYS 61 2HZ LYS 61 -12.405 -8.582 -14.038 499 3HZ LYS 61 3HZ LYS 61 -12.352 -9.874 -15.027 500 H ASN 62 H ASN 62 -11.411 -1.832 -16.994 501 HA ASN 62 HA ASN 62 -13.749 -2.439 -18.537 502 1HB ASN 62 1HB ASN 62 -13.774 -1.138 -16.419 503 2HB ASN 62 2HB ASN 62 -12.879 0.164 -17.208 504 1HD2 ASN 62 2HD2 ASN 62 -14.186 1.834 -17.908 505 2HD2 ASN 62 1HD2 ASN 62 -15.860 1.654 -18.404 506 H GLY 63 H GLY 63 -10.770 -0.708 -19.362 507 1HA GLY 63 1HA GLY 63 -10.174 0.596 -21.124 508 2HA GLY 63 2HA GLY 63 -11.442 -0.229 -22.055 509 H SER 64 H SER 64 -11.593 1.975 -19.183 510 HA SER 64 HA SER 64 -13.953 3.221 -19.927 511 1HB SER 64 1HB SER 64 -11.790 4.536 -18.260 512 2HB SER 64 2HB SER 64 -13.541 4.738 -18.152 513 HG SER 64 HG SER 64 -12.661 3.322 -16.554 514 HA PRO 65 HA PRO 65 -11.781 6.845 -22.076 515 1HB PRO 65 1HB PRO 65 -9.122 7.015 -22.558 516 2HB PRO 65 2HB PRO 65 -9.800 7.269 -20.930 517 1HG PRO 65 1HG PRO 65 -8.574 4.733 -22.048 518 2HG PRO 65 2HG PRO 65 -8.218 5.568 -20.493 519 1HD PRO 65 1HD PRO 65 -9.965 3.456 -20.730 520 2HD PRO 65 2HD PRO 65 -10.128 4.731 -19.490 521 H PHE 66 H PHE 66 -10.116 7.087 -24.278 522 HA PHE 66 HA PHE 66 -11.436 5.676 -26.344 523 1HB PHE 66 1HB PHE 66 -9.462 6.646 -27.707 524 2HB PHE 66 2HB PHE 66 -10.583 7.737 -26.926 525 HD1 PHE 66 HD1 PHE 66 -7.188 6.165 -26.452 526 HD2 PHE 66 HD2 PHE 66 -9.835 9.415 -25.419 527 HE1 PHE 66 HE1 PHE 66 -5.375 7.243 -25.179 528 HE2 PHE 66 HE2 PHE 66 -7.995 10.506 -24.167 529 HZ PHE 66 HZ PHE 66 -5.755 9.421 -24.040 530 H SER 67 H SER 67 -8.437 4.832 -24.574 531 HA SER 67 HA SER 67 -7.824 2.619 -26.402 532 1HB SER 67 1HB SER 67 -6.743 3.421 -23.685 533 2HB SER 67 2HB SER 67 -6.073 2.138 -24.701 534 HG SER 67 HG SER 67 -4.895 3.857 -25.236 535 H LYS 68 H LYS 68 -8.101 0.382 -25.852 536 HA LYS 68 HA LYS 68 -9.398 -0.319 -23.375 537 1HB LYS 68 1HB LYS 68 -11.415 -1.196 -24.072 538 2HB LYS 68 2HB LYS 68 -11.356 0.361 -24.869 539 1HG LYS 68 1HG LYS 68 -10.898 -2.381 -26.122 540 2HG LYS 68 2HG LYS 68 -12.335 -1.375 -26.255 541 1HD LYS 68 1HD LYS 68 -10.917 0.372 -27.450 542 2HD LYS 68 2HD LYS 68 -9.592 -0.800 -27.414 543 1HE LYS 68 1HE LYS 68 -10.602 -0.946 -29.572 544 2HE LYS 68 2HE LYS 68 -10.961 -2.427 -28.684 545 1HZ LYS 68 1HZ LYS 68 -13.188 -1.550 -28.254 546 2HZ LYS 68 2HZ LYS 68 -12.845 -0.162 -29.052 547 3HZ LYS 68 3HZ LYS 68 -12.898 -1.576 -29.854 548 H VAL 69 H VAL 69 -9.252 -2.546 -22.904 549 HA VAL 69 HA VAL 69 -7.137 -3.889 -24.436 550 HB VAL 69 HB VAL 69 -7.103 -5.472 -22.579 551 1HG1 VAL 69 1HG1 VAL 69 -6.167 -3.983 -20.931 552 2HG1 VAL 69 2HG1 VAL 69 -5.770 -3.379 -22.548 553 3HG1 VAL 69 3HG1 VAL 69 -7.040 -2.588 -21.594 554 1HG2 VAL 69 1HG2 VAL 69 -9.467 -5.427 -21.835 555 2HG2 VAL 69 2HG2 VAL 69 -8.344 -5.116 -20.510 556 3HG2 VAL 69 3HG2 VAL 69 -9.248 -3.770 -21.232 557 H THR 70 H THR 70 -7.338 -5.988 -25.238 558 HA THR 70 HA THR 70 -10.008 -7.279 -25.215 559 HB THR 70 HB THR 70 -9.407 -8.234 -27.454 560 HG1 THR 70 HG1 THR 70 -7.236 -7.927 -27.607 561 1HG2 THR 70 1HG2 THR 70 -9.489 -5.172 -27.449 562 2HG2 THR 70 2HG2 THR 70 -9.972 -6.261 -28.764 563 3HG2 THR 70 3HG2 THR 70 -10.902 -6.233 -27.257 564 H ASP 71 H ASP 71 -6.713 -7.346 -24.249 565 HA ASP 71 HA ASP 71 -7.069 -10.006 -23.074 566 1HB ASP 71 1HB ASP 71 -5.861 -10.590 -25.105 567 2HB ASP 71 2HB ASP 71 -4.785 -9.207 -24.918 568 H ILE 72 H ILE 72 -5.998 -10.048 -21.043 569 HA ILE 72 HA ILE 72 -4.209 -7.902 -20.252 570 HB ILE 72 HB ILE 72 -6.281 -6.737 -19.999 571 1HG1 ILE 72 1HG1 ILE 72 -5.595 -7.659 -17.187 572 2HG1 ILE 72 2HG1 ILE 72 -4.505 -6.661 -18.139 573 1HG2 ILE 72 1HG2 ILE 72 -8.185 -7.473 -18.645 574 2HG2 ILE 72 2HG2 ILE 72 -7.904 -8.592 -19.967 575 3HG2 ILE 72 3HG2 ILE 72 -7.388 -9.022 -18.323 576 1HD1 ILE 72 1HD1 ILE 72 -6.298 -4.918 -18.345 577 2HD1 ILE 72 2HD1 ILE 72 -7.318 -5.896 -17.262 578 3HD1 ILE 72 3HD1 ILE 72 -5.787 -5.229 -16.676 579 H SER 73 H SER 73 -2.928 -8.518 -18.561 580 HA SER 73 HA SER 73 -3.633 -10.834 -16.864 581 1HB SER 73 1HB SER 73 -0.957 -10.468 -18.293 582 2HB SER 73 2HB SER 73 -1.373 -11.766 -17.163 583 HG SER 73 HG SER 73 -2.946 -12.469 -18.686 584 H VAL 74 H VAL 74 -2.736 -10.587 -14.762 585 HA VAL 74 HA VAL 74 -1.285 -8.069 -14.157 586 HB VAL 74 HB VAL 74 -3.869 -9.011 -12.827 587 1HG1 VAL 74 1HG1 VAL 74 -3.803 -6.787 -11.686 588 2HG1 VAL 74 2HG1 VAL 74 -2.471 -7.839 -11.218 589 3HG1 VAL 74 3HG1 VAL 74 -2.183 -6.512 -12.356 590 1HG2 VAL 74 1HG2 VAL 74 -4.905 -6.952 -13.765 591 2HG2 VAL 74 2HG2 VAL 74 -3.448 -6.686 -14.748 592 3HG2 VAL 74 3HG2 VAL 74 -4.464 -8.122 -14.999 593 H THR 75 H THR 75 0.087 -8.268 -12.441 594 HA THR 75 HA THR 75 -0.100 -10.528 -10.559 595 HB THR 75 HB THR 75 2.529 -9.621 -11.814 596 HG1 THR 75 HG1 THR 75 1.304 -10.653 -13.389 597 1HG2 THR 75 1HG2 THR 75 3.388 -11.780 -10.902 598 2HG2 THR 75 2HG2 THR 75 2.839 -10.686 -9.632 599 3HG2 THR 75 3HG2 THR 75 1.816 -12.056 -10.119 600 H GLU 76 H GLU 76 0.996 -9.841 -8.449 601 HA GLU 76 HA GLU 76 1.677 -7.003 -8.252 602 1HB GLU 76 1HB GLU 76 0.090 -6.581 -6.443 603 2HB GLU 76 2HB GLU 76 -0.708 -6.989 -7.944 604 1HG GLU 76 1HG GLU 76 -1.948 -8.048 -6.266 605 2HG GLU 76 2HG GLU 76 -1.081 -9.328 -7.096 606 H SER 77 H SER 77 2.632 -6.470 -6.157 607 HA SER 77 HA SER 77 3.629 -8.700 -4.525 608 1HB SER 77 1HB SER 77 5.481 -6.701 -5.911 609 2HB SER 77 2HB SER 77 5.970 -7.878 -4.683 610 HG SER 77 HG SER 77 5.354 -9.542 -6.110 611 H ARG 78 H ARG 78 4.344 -7.941 -2.460 612 HA ARG 78 HA ARG 78 3.117 -5.378 -1.649 613 1HB ARG 78 1HB ARG 78 4.446 -7.410 0.178 614 2HB ARG 78 2HB ARG 78 3.187 -6.235 0.567 615 1HG ARG 78 1HG ARG 78 2.869 -8.787 -1.072 616 2HG ARG 78 2HG ARG 78 2.332 -8.538 0.580 617 1HD ARG 78 1HD ARG 78 0.553 -7.116 -0.056 618 2HD ARG 78 2HD ARG 78 1.309 -6.723 -1.604 619 HE ARG 78 HE ARG 78 0.370 -8.452 -2.620 620 1HH1 ARG 78 1HH2 ARG 78 -0.006 -9.070 0.871 621 2HH1 ARG 78 2HH2 ARG 78 -0.978 -10.476 0.647 622 1HH2 ARG 78 1HH1 ARG 78 -0.846 -10.295 -2.924 623 2HH2 ARG 78 2HH1 ARG 78 -1.489 -11.192 -1.576 624 H SER 79 H SER 79 5.379 -5.081 -3.313 625 HA SER 79 HA SER 79 7.585 -4.335 -1.511 626 1HB SER 79 1HB SER 79 7.826 -6.039 -4.018 627 2HB SER 79 2HB SER 79 9.124 -5.597 -2.895 628 HG SER 79 HG SER 79 8.345 -7.701 -2.491 629 H LEU 80 H LEU 80 7.723 -2.218 -1.854 630 HA LEU 80 HA LEU 80 7.159 -0.783 -4.258 631 1HB LEU 80 1HB LEU 80 8.752 -0.193 -1.735 632 2HB LEU 80 2HB LEU 80 8.735 0.934 -3.080 633 HG LEU 80 HG LEU 80 6.317 1.182 -2.972 634 1HD1 LEU 80 1HD1 LEU 80 5.114 0.285 -0.897 635 2HD1 LEU 80 2HD1 LEU 80 5.434 -0.883 -2.179 636 3HD1 LEU 80 3HD1 LEU 80 6.447 -0.846 -0.706 637 1HD2 LEU 80 1HD2 LEU 80 7.651 1.531 -0.250 638 2HD2 LEU 80 2HD2 LEU 80 7.774 2.652 -1.625 639 3HD2 LEU 80 3HD2 LEU 80 6.213 2.400 -0.833 640 H GLU 81 H GLU 81 8.772 0.429 -5.532 641 HA GLU 81 HA GLU 81 11.287 -1.060 -6.008 642 1HB GLU 81 1HB GLU 81 10.728 -1.478 -8.337 643 2HB GLU 81 2HB GLU 81 9.643 -2.282 -7.225 644 1HG GLU 81 1HG GLU 81 8.259 -1.494 -8.941 645 2HG GLU 81 2HG GLU 81 7.953 -0.410 -7.603 646 H GLY 82 H GLY 82 9.540 1.970 -6.148 647 1HA GLY 82 1HA GLY 82 11.045 3.626 -5.376 648 2HA GLY 82 2HA GLY 82 12.257 3.130 -6.547 649 H HIS 83 H HIS 83 9.348 3.264 -8.349 650 HA HIS 83 HA HIS 83 10.100 5.733 -9.613 651 1HB HIS 83 1HB HIS 83 7.534 4.110 -9.638 652 2HB HIS 83 2HB HIS 83 7.667 5.656 -10.464 653 HD1 HIS 83 HD1 HIS 83 9.264 2.156 -10.677 654 HD2 HIS 83 HD2 HIS 83 8.680 5.725 -12.847 655 HE1 HIS 83 HE1 HIS 83 10.060 1.695 -13.047 656 H HIS 84 H HIS 84 9.337 7.818 -9.392 657 HA HIS 84 HA HIS 84 7.337 8.433 -7.263 658 1HB HIS 84 1HB HIS 84 9.923 9.918 -7.886 659 2HB HIS 84 2HB HIS 84 8.652 10.524 -6.832 660 HD1 HIS 84 HD1 HIS 84 8.740 7.078 -5.786 661 HD2 HIS 84 HD2 HIS 84 11.278 10.417 -5.414 662 HE1 HIS 84 HE1 HIS 84 10.197 6.647 -3.738 663 H ARG 85 H ARG 85 7.540 8.200 -10.436 664 HA ARG 85 HA ARG 85 5.662 10.344 -10.993 665 1HB ARG 85 1HB ARG 85 6.914 11.036 -13.052 666 2HB ARG 85 2HB ARG 85 7.679 11.558 -11.559 667 1HG ARG 85 1HG ARG 85 9.433 9.955 -11.719 668 2HG ARG 85 2HG ARG 85 8.595 9.006 -12.949 669 1HD ARG 85 1HD ARG 85 9.607 11.842 -13.380 670 2HD ARG 85 2HD ARG 85 10.489 10.370 -13.845 671 HE ARG 85 HE ARG 85 8.107 9.923 -15.016 672 1HH1 ARG 85 1HH2 ARG 85 10.316 12.692 -15.299 673 2HH1 ARG 85 2HH2 ARG 85 9.608 13.266 -16.765 674 1HH2 ARG 85 1HH1 ARG 85 7.094 10.726 -16.769 675 2HH2 ARG 85 2HH1 ARG 85 7.734 12.059 -17.693 676 H PHE 86 H PHE 86 4.750 9.903 -13.292 677 HA PHE 86 HA PHE 86 4.807 7.017 -13.925 678 1HB PHE 86 1HB PHE 86 3.218 7.549 -15.687 679 2HB PHE 86 2HB PHE 86 2.631 8.018 -14.106 680 HD1 PHE 86 HD1 PHE 86 2.023 10.270 -13.628 681 HD2 PHE 86 HD2 PHE 86 4.041 9.332 -17.322 682 HE1 PHE 86 HE1 PHE 86 1.659 12.604 -14.433 683 HE2 PHE 86 HE2 PHE 86 3.618 11.634 -18.143 684 HZ PHE 86 HZ PHE 86 2.444 13.278 -16.693 685 H SER 87 H SER 87 5.820 6.277 -15.843 686 HA SER 87 HA SER 87 7.474 8.217 -17.392 687 1HB SER 87 1HB SER 87 8.419 5.638 -16.069 688 2HB SER 87 2HB SER 87 9.388 6.684 -17.126 689 HG SER 87 HG SER 87 9.774 7.149 -14.939 690 H ILE 88 H ILE 88 8.250 7.324 -19.444 691 HA ILE 88 HA ILE 88 6.507 5.187 -20.549 692 HB ILE 88 HB ILE 88 6.900 7.939 -21.810 693 1HG1 ILE 88 1HG1 ILE 88 4.587 6.799 -20.211 694 2HG1 ILE 88 2HG1 ILE 88 5.491 8.273 -19.885 695 1HG2 ILE 88 1HG2 ILE 88 5.276 7.162 -23.455 696 2HG2 ILE 88 2HG2 ILE 88 6.580 5.985 -23.370 697 3HG2 ILE 88 3HG2 ILE 88 5.035 5.648 -22.554 698 1HD1 ILE 88 1HD1 ILE 88 4.493 9.294 -21.937 699 2HD1 ILE 88 2HD1 ILE 88 3.475 7.836 -22.113 700 3HD1 ILE 88 3HD1 ILE 88 3.315 8.852 -20.679 701 H VAL 89 H VAL 89 7.826 3.728 -21.387 702 HA VAL 89 HA VAL 89 10.666 4.324 -21.782 703 HB VAL 89 HB VAL 89 9.072 1.762 -22.232 704 1HG1 VAL 89 1HG1 VAL 89 11.292 0.633 -21.966 705 2HG1 VAL 89 2HG1 VAL 89 11.224 1.642 -23.403 706 3HG1 VAL 89 3HG1 VAL 89 12.081 2.223 -21.955 707 1HG2 VAL 89 1HG2 VAL 89 10.678 2.699 -19.806 708 2HG2 VAL 89 2HG2 VAL 89 8.927 2.417 -19.869 709 3HG2 VAL 89 3HG2 VAL 89 10.033 1.059 -20.022 710 H TYR 90 H TYR 90 11.751 4.229 -23.819 711 HA TYR 90 HA TYR 90 10.339 5.360 -25.992 712 1HB TYR 90 1HB TYR 90 13.032 3.945 -26.023 713 2HB TYR 90 2HB TYR 90 12.436 5.068 -27.234 714 HD1 TYR 90 HD1 TYR 90 11.798 7.487 -26.400 715 HD2 TYR 90 HD2 TYR 90 14.370 4.774 -24.240 716 HE1 TYR 90 HE1 TYR 90 12.753 9.397 -25.143 717 HE2 TYR 90 HE2 TYR 90 15.326 6.671 -22.979 718 HH TYR 90 HH TYR 90 15.305 8.978 -22.640 719 H SER 91 H SER 91 11.155 1.994 -25.258 720 HA SER 91 HA SER 91 10.368 0.794 -27.734 721 1HB SER 91 1HB SER 91 10.226 -0.375 -24.921 722 2HB SER 91 2HB SER 91 10.306 -1.262 -26.450 723 HG SER 91 HG SER 91 12.377 -1.126 -25.448 Start of MODEL 9 1 1H MET 1 1H MET 1 2.899 -1.790 1.901 2 2H MET 1 2H MET 1 4.319 -1.085 1.525 3 3H MET 1 3H MET 1 3.165 -0.228 2.325 4 HA MET 1 HA MET 1 1.693 -0.320 0.461 5 1HB MET 1 1HB MET 1 3.799 1.387 0.688 6 2HB MET 1 2HB MET 1 4.201 0.634 -0.859 7 1HG MET 1 1HG MET 1 1.814 1.152 -1.585 8 2HG MET 1 2HG MET 1 1.585 1.997 -0.063 9 1HE MET 1 1HE MET 1 4.206 3.329 -3.614 10 2HE MET 1 2HE MET 1 4.953 2.259 -2.405 11 3HE MET 1 3HE MET 1 3.532 1.709 -3.316 12 H LEU 2 H LEU 2 2.095 -0.541 -2.278 13 HA LEU 2 HA LEU 2 2.889 -3.359 -2.692 14 1HB LEU 2 1HB LEU 2 0.340 -2.701 -1.927 15 2HB LEU 2 2HB LEU 2 0.241 -2.336 -3.631 16 HG LEU 2 HG LEU 2 1.259 -4.747 -3.951 17 1HD1 LEU 2 1HD1 LEU 2 1.819 -5.114 -1.575 18 2HD1 LEU 2 2HD1 LEU 2 0.103 -4.971 -1.141 19 3HD1 LEU 2 3HD1 LEU 2 0.652 -6.314 -2.162 20 1HD2 LEU 2 1HD2 LEU 2 -1.012 -5.739 -3.886 21 2HD2 LEU 2 2HD2 LEU 2 -1.593 -4.339 -2.963 22 3HD2 LEU 2 3HD2 LEU 2 -1.023 -4.138 -4.635 23 H GLN 3 H GLN 3 2.242 -3.844 -5.121 24 HA GLN 3 HA GLN 3 2.737 -1.657 -7.004 25 1HB GLN 3 1HB GLN 3 4.971 -2.230 -6.257 26 2HB GLN 3 2HB GLN 3 4.622 -3.949 -6.318 27 1HG GLN 3 1HG GLN 3 4.633 -3.906 -8.776 28 2HG GLN 3 2HG GLN 3 4.927 -2.160 -8.746 29 1HE2 GLN 3 2HE2 GLN 3 7.071 -1.639 -9.002 30 2HE2 GLN 3 1HE2 GLN 3 8.421 -2.579 -8.350 31 H TYR 4 H TYR 4 2.267 -2.379 -9.218 32 HA TYR 4 HA TYR 4 1.115 -5.112 -9.424 33 1HB TYR 4 1HB TYR 4 -0.452 -4.468 -11.105 34 2HB TYR 4 2HB TYR 4 -0.761 -3.622 -9.613 35 HD1 TYR 4 HD1 TYR 4 -1.856 -1.648 -10.127 36 HD2 TYR 4 HD2 TYR 4 1.376 -2.822 -12.731 37 HE1 TYR 4 HE1 TYR 4 -1.924 0.552 -11.218 38 HE2 TYR 4 HE2 TYR 4 1.283 -0.655 -13.832 39 HH TYR 4 HH TYR 4 0.320 1.480 -13.864 40 H ARG 5 H ARG 5 1.304 -6.044 -11.530 41 HA ARG 5 HA ARG 5 3.153 -4.788 -13.470 42 1HB ARG 5 1HB ARG 5 3.340 -7.622 -12.329 43 2HB ARG 5 2HB ARG 5 3.938 -7.225 -13.945 44 1HG ARG 5 1HG ARG 5 5.494 -5.621 -13.082 45 2HG ARG 5 2HG ARG 5 4.863 -5.784 -11.429 46 1HD ARG 5 1HD ARG 5 5.677 -8.082 -11.292 47 2HD ARG 5 2HD ARG 5 6.135 -8.053 -13.003 48 HE ARG 5 HE ARG 5 8.059 -6.958 -12.508 49 1HH1 ARG 5 1HH2 ARG 5 6.047 -6.820 -9.555 50 2HH1 ARG 5 2HH2 ARG 5 7.148 -5.783 -8.712 51 1HH2 ARG 5 1HH1 ARG 5 9.572 -5.730 -11.297 52 2HH2 ARG 5 2HH1 ARG 5 9.234 -5.276 -9.671 53 H ILE 6 H ILE 6 2.157 -4.934 -15.496 54 HA ILE 6 HA ILE 6 -0.006 -6.917 -15.834 55 HB ILE 6 HB ILE 6 -0.458 -4.140 -16.902 56 1HG1 ILE 6 1HG1 ILE 6 -1.024 -4.850 -14.004 57 2HG1 ILE 6 2HG1 ILE 6 -0.038 -3.531 -14.638 58 1HG2 ILE 6 1HG2 ILE 6 -1.866 -6.143 -17.526 59 2HG2 ILE 6 2HG2 ILE 6 -2.414 -6.218 -15.845 60 3HG2 ILE 6 3HG2 ILE 6 -2.784 -4.806 -16.859 61 1HD1 ILE 6 1HD1 ILE 6 -2.113 -2.579 -15.691 62 2HD1 ILE 6 2HD1 ILE 6 -3.055 -3.783 -14.787 63 3HD1 ILE 6 3HD1 ILE 6 -2.091 -2.582 -13.909 64 H ILE 7 H ILE 7 -0.157 -7.641 -17.956 65 HA ILE 7 HA ILE 7 1.279 -6.098 -20.003 66 HB ILE 7 HB ILE 7 1.099 -8.916 -20.759 67 1HG1 ILE 7 1HG1 ILE 7 1.781 -9.351 -18.378 68 2HG1 ILE 7 2HG1 ILE 7 2.867 -9.925 -19.620 69 1HG2 ILE 7 1HG2 ILE 7 3.336 -6.885 -20.852 70 2HG2 ILE 7 2HG2 ILE 7 3.345 -8.486 -21.634 71 3HG2 ILE 7 3HG2 ILE 7 2.156 -7.266 -22.117 72 1HD1 ILE 7 1HD1 ILE 7 3.371 -7.415 -17.968 73 2HD1 ILE 7 2HD1 ILE 7 4.101 -9.000 -17.710 74 3HD1 ILE 7 3HD1 ILE 7 4.451 -8.101 -19.194 75 H VAL 8 H VAL 8 -0.006 -5.755 -21.812 76 HA VAL 8 HA VAL 8 -2.718 -6.969 -21.839 77 HB VAL 8 HB VAL 8 -3.691 -4.758 -22.138 78 1HG1 VAL 8 1HG1 VAL 8 -2.064 -4.754 -19.568 79 2HG1 VAL 8 2HG1 VAL 8 -3.634 -3.983 -19.857 80 3HG1 VAL 8 3HG1 VAL 8 -3.508 -5.748 -19.853 81 1HG2 VAL 8 1HG2 VAL 8 -0.968 -3.567 -21.524 82 2HG2 VAL 8 2HG2 VAL 8 -1.878 -3.459 -23.056 83 3HG2 VAL 8 3HG2 VAL 8 -2.503 -2.680 -21.606 84 H ASP 9 H ASP 9 -3.824 -6.793 -23.857 85 HA ASP 9 HA ASP 9 -2.457 -5.612 -26.167 86 1HB ASP 9 1HB ASP 9 -1.591 -7.861 -26.262 87 2HB ASP 9 2HB ASP 9 -3.197 -8.553 -26.024 88 H GLY 10 H GLY 10 -4.036 -5.257 -27.913 89 1HA GLY 10 1HA GLY 10 -6.669 -5.665 -28.195 90 2HA GLY 10 2HA GLY 10 -6.631 -4.586 -26.781 91 H ARG 11 H ARG 11 -7.588 -2.895 -28.062 92 HA ARG 11 HA ARG 11 -5.755 -1.542 -29.966 93 1HB ARG 11 1HB ARG 11 -8.221 -1.321 -30.355 94 2HB ARG 11 2HB ARG 11 -8.386 -0.559 -28.768 95 1HG ARG 11 1HG ARG 11 -6.783 1.242 -29.518 96 2HG ARG 11 2HG ARG 11 -6.775 0.519 -31.128 97 1HD ARG 11 1HD ARG 11 -9.229 1.573 -29.659 98 2HD ARG 11 2HD ARG 11 -8.350 2.448 -30.908 99 HE ARG 11 HE ARG 11 -8.909 0.531 -32.444 100 1HH1 ARG 11 1HH2 ARG 11 -11.148 1.384 -29.766 101 2HH1 ARG 11 2HH2 ARG 11 -12.537 0.844 -30.631 102 1HH2 ARG 11 1HH1 ARG 11 -10.769 -0.223 -33.506 103 2HH2 ARG 11 2HH1 ARG 11 -12.318 -0.117 -32.765 104 H VAL 12 H VAL 12 -3.993 -1.644 -28.491 105 HA VAL 12 HA VAL 12 -4.205 0.173 -26.139 106 HB VAL 12 HB VAL 12 -2.601 -1.286 -24.993 107 1HG1 VAL 12 1HG1 VAL 12 -4.984 -1.609 -24.567 108 2HG1 VAL 12 2HG1 VAL 12 -5.092 -2.787 -25.889 109 3HG1 VAL 12 3HG1 VAL 12 -4.093 -3.139 -24.469 110 1HG2 VAL 12 1HG2 VAL 12 -2.965 -3.306 -27.241 111 2HG2 VAL 12 2HG2 VAL 12 -1.512 -2.324 -26.993 112 3HG2 VAL 12 3HG2 VAL 12 -2.000 -3.476 -25.757 113 H GLN 13 H GLN 13 -3.010 0.232 -29.183 114 HA GLN 13 HA GLN 13 -1.017 2.183 -28.406 115 1HB GLN 13 1HB GLN 13 -0.284 -0.136 -30.252 116 2HB GLN 13 2HB GLN 13 0.682 1.321 -30.043 117 1HG GLN 13 1HG GLN 13 0.163 -0.665 -27.802 118 2HG GLN 13 2HG GLN 13 1.520 -0.734 -28.894 119 1HE2 GLN 13 2HE2 GLN 13 0.033 1.330 -26.371 120 2HE2 GLN 13 1HE2 GLN 13 1.535 2.104 -25.911 121 H GLY 14 H GLY 14 -0.362 3.395 -30.492 122 1HA GLY 14 1HA GLY 14 -0.790 4.238 -32.586 123 2HA GLY 14 2HA GLY 14 -2.096 3.068 -32.806 124 H VAL 15 H VAL 15 -2.970 4.310 -29.951 125 HA VAL 15 HA VAL 15 -4.337 6.731 -31.013 126 HB VAL 15 HB VAL 15 -6.403 5.934 -29.890 127 1HG1 VAL 15 1HG1 VAL 15 -6.039 5.578 -32.319 128 2HG1 VAL 15 2HG1 VAL 15 -5.422 3.948 -31.972 129 3HG1 VAL 15 3HG1 VAL 15 -7.100 4.373 -31.579 130 1HG2 VAL 15 1HG2 VAL 15 -5.040 3.210 -29.638 131 2HG2 VAL 15 2HG2 VAL 15 -5.319 4.320 -28.277 132 3HG2 VAL 15 3HG2 VAL 15 -6.691 3.658 -29.162 133 H GLY 16 H GLY 16 -2.009 6.044 -28.969 134 1HA GLY 16 1HA GLY 16 -1.173 7.325 -27.262 135 2HA GLY 16 2HA GLY 16 -2.687 8.231 -27.189 136 H PHE 17 H PHE 17 -3.059 4.766 -26.900 137 HA PHE 17 HA PHE 17 -4.223 4.806 -24.361 138 1HB PHE 17 1HB PHE 17 -4.508 2.923 -25.808 139 2HB PHE 17 2HB PHE 17 -2.784 2.643 -25.862 140 HD1 PHE 17 HD1 PHE 17 -1.604 1.446 -24.057 141 HD2 PHE 17 HD2 PHE 17 -5.824 2.278 -23.742 142 HE1 PHE 17 HE1 PHE 17 -1.799 -0.207 -22.229 143 HE2 PHE 17 HE2 PHE 17 -6.014 0.610 -21.925 144 HZ PHE 17 HZ PHE 17 -3.998 -0.647 -21.172 145 H ARG 18 H ARG 18 -0.719 4.284 -25.180 146 HA ARG 18 HA ARG 18 -0.118 3.723 -22.446 147 1HB ARG 18 1HB ARG 18 2.163 3.741 -22.917 148 2HB ARG 18 2HB ARG 18 1.304 2.883 -24.177 149 1HG ARG 18 1HG ARG 18 1.634 4.829 -25.702 150 2HG ARG 18 2HG ARG 18 2.458 5.697 -24.387 151 1HD ARG 18 1HD ARG 18 4.147 3.839 -24.251 152 2HD ARG 18 2HD ARG 18 3.373 3.042 -25.609 153 HE ARG 18 HE ARG 18 4.721 5.710 -25.681 154 1HH1 ARG 18 1HH2 ARG 18 3.688 2.808 -27.572 155 2HH1 ARG 18 2HH2 ARG 18 4.331 3.443 -29.029 156 1HH2 ARG 18 1HH1 ARG 18 5.568 6.447 -27.652 157 2HH2 ARG 18 2HH1 ARG 18 5.423 5.501 -29.078 158 H TYR 19 H TYR 19 -0.675 6.824 -23.999 159 HA TYR 19 HA TYR 19 0.514 8.288 -21.732 160 1HB TYR 19 1HB TYR 19 0.355 9.296 -24.010 161 2HB TYR 19 2HB TYR 19 -1.401 9.249 -23.892 162 HD1 TYR 19 HD1 TYR 19 1.694 10.690 -22.373 163 HD2 TYR 19 HD2 TYR 19 -2.608 10.936 -22.641 164 HE1 TYR 19 HE1 TYR 19 1.748 12.859 -21.178 165 HE2 TYR 19 HE2 TYR 19 -2.561 13.115 -21.475 166 HH TYR 19 HH TYR 19 -1.233 14.741 -20.459 167 H PHE 20 H PHE 20 -2.739 7.250 -22.901 168 HA PHE 20 HA PHE 20 -4.302 8.379 -20.893 169 1HB PHE 20 1HB PHE 20 -5.555 7.440 -22.594 170 2HB PHE 20 2HB PHE 20 -4.590 5.986 -22.661 171 HD1 PHE 20 HD1 PHE 20 -5.146 3.997 -21.448 172 HD2 PHE 20 HD2 PHE 20 -7.282 7.672 -20.703 173 HE1 PHE 20 HE1 PHE 20 -6.807 2.752 -20.071 174 HE2 PHE 20 HE2 PHE 20 -8.945 6.422 -19.352 175 HZ PHE 20 HZ PHE 20 -8.706 3.967 -19.031 176 H VAL 21 H VAL 21 -2.681 5.096 -20.722 177 HA VAL 21 HA VAL 21 -3.705 4.633 -18.147 178 HB VAL 21 HB VAL 21 -1.902 3.026 -17.875 179 1HG1 VAL 21 1HG1 VAL 21 -4.006 2.470 -19.097 180 2HG1 VAL 21 2HG1 VAL 21 -3.183 2.838 -20.628 181 3HG1 VAL 21 3HG1 VAL 21 -2.628 1.493 -19.620 182 1HG2 VAL 21 1HG2 VAL 21 -0.363 2.449 -19.673 183 2HG2 VAL 21 2HG2 VAL 21 -0.843 3.934 -20.527 184 3HG2 VAL 21 3HG2 VAL 21 -0.007 4.027 -18.964 185 H GLN 22 H GLN 22 -0.848 6.600 -19.098 186 HA GLN 22 HA GLN 22 -0.035 6.783 -16.305 187 1HB GLN 22 1HB GLN 22 0.896 8.399 -18.687 188 2HB GLN 22 2HB GLN 22 1.615 8.372 -17.085 189 1HG GLN 22 1HG GLN 22 1.529 6.065 -19.067 190 2HG GLN 22 2HG GLN 22 2.920 7.027 -18.618 191 1HE2 GLN 22 2HE2 GLN 22 4.327 5.499 -17.658 192 2HE2 GLN 22 1HE2 GLN 22 3.812 4.493 -16.310 193 H MET 23 H MET 23 -2.279 8.549 -18.351 194 HA MET 23 HA MET 23 -2.626 10.764 -16.492 195 1HB MET 23 1HB MET 23 -4.795 9.487 -18.206 196 2HB MET 23 2HB MET 23 -4.851 11.041 -17.395 197 1HG MET 23 1HG MET 23 -2.882 11.747 -18.847 198 2HG MET 23 2HG MET 23 -3.174 10.288 -19.799 199 1HE MET 23 1HE MET 23 -5.556 9.985 -21.381 200 2HE MET 23 2HE MET 23 -6.292 9.939 -19.757 201 3HE MET 23 3HE MET 23 -6.950 11.007 -21.012 202 H GLU 24 H GLU 24 -4.256 7.563 -16.836 203 HA GLU 24 HA GLU 24 -5.869 7.860 -14.502 204 1HB GLU 24 1HB GLU 24 -5.008 5.357 -16.012 205 2HB GLU 24 2HB GLU 24 -6.310 5.440 -14.826 206 1HG GLU 24 1HG GLU 24 -6.227 6.843 -17.541 207 2HG GLU 24 2HG GLU 24 -7.236 5.481 -17.062 208 H ALA 25 H ALA 25 -2.546 6.756 -14.925 209 HA ALA 25 HA ALA 25 -2.212 5.647 -12.302 210 1HB ALA 25 1HB ALA 25 0.190 5.961 -12.770 211 2HB ALA 25 2HB ALA 25 -0.633 5.318 -14.207 212 3HB ALA 25 3HB ALA 25 -0.179 7.043 -14.111 213 H ASP 26 H ASP 26 -1.561 8.909 -13.703 214 HA ASP 26 HA ASP 26 -0.764 10.144 -11.283 215 1HB ASP 26 1HB ASP 26 -0.309 11.118 -13.457 216 2HB ASP 26 2HB ASP 26 -2.029 11.335 -13.777 217 H LYS 27 H LYS 27 -4.045 9.863 -12.759 218 HA LYS 27 HA LYS 27 -5.289 11.450 -10.777 219 1HB LYS 27 1HB LYS 27 -7.286 11.021 -11.797 220 2HB LYS 27 2HB LYS 27 -6.142 10.756 -13.092 221 1HG LYS 27 1HG LYS 27 -7.461 8.970 -13.474 222 2HG LYS 27 2HG LYS 27 -6.369 8.208 -12.306 223 1HD LYS 27 1HD LYS 27 -8.015 8.735 -10.519 224 2HD LYS 27 2HD LYS 27 -9.110 9.380 -11.735 225 1HE LYS 27 1HE LYS 27 -8.049 6.527 -11.866 226 2HE LYS 27 2HE LYS 27 -9.413 6.950 -10.823 227 1HZ LYS 27 1HZ LYS 27 -10.256 6.198 -12.892 228 2HZ LYS 27 2HZ LYS 27 -10.558 7.797 -12.830 229 3HZ LYS 27 3HZ LYS 27 -9.336 7.211 -13.772 230 H ARG 28 H ARG 28 -3.970 8.320 -10.418 231 HA ARG 28 HA ARG 28 -5.273 8.042 -7.735 232 1HB ARG 28 1HB ARG 28 -4.157 5.894 -9.593 233 2HB ARG 28 2HB ARG 28 -4.718 5.599 -7.954 234 1HG ARG 28 1HG ARG 28 -6.483 6.504 -10.249 235 2HG ARG 28 2HG ARG 28 -6.290 4.860 -9.661 236 1HD ARG 28 1HD ARG 28 -8.318 5.627 -8.733 237 2HD ARG 28 2HD ARG 28 -7.148 5.592 -7.404 238 HE ARG 28 HE ARG 28 -7.112 8.190 -8.529 239 1HH1 ARG 28 1HH2 ARG 28 -9.404 6.203 -6.670 240 2HH1 ARG 28 2HH2 ARG 28 -10.184 7.565 -5.960 241 1HH2 ARG 28 1HH1 ARG 28 -8.093 9.935 -7.625 242 2HH2 ARG 28 2HH1 ARG 28 -9.418 9.769 -6.522 243 H LYS 29 H LYS 29 -2.825 9.592 -8.748 244 HA LYS 29 HA LYS 29 -0.682 9.924 -8.327 245 1HB LYS 29 1HB LYS 29 -0.127 10.316 -6.011 246 2HB LYS 29 2HB LYS 29 -1.730 10.913 -6.409 247 1HG LYS 29 1HG LYS 29 -2.789 9.038 -5.249 248 2HG LYS 29 2HG LYS 29 -1.210 8.284 -4.946 249 1HD LYS 29 1HD LYS 29 -0.547 10.241 -3.572 250 2HD LYS 29 2HD LYS 29 -2.129 10.992 -3.882 251 1HE LYS 29 1HE LYS 29 -3.254 9.047 -2.815 252 2HE LYS 29 2HE LYS 29 -1.680 8.302 -2.506 253 1HZ LYS 29 1HZ LYS 29 -2.509 9.461 -0.560 254 2HZ LYS 29 2HZ LYS 29 -1.144 10.187 -1.072 255 3HZ LYS 29 3HZ LYS 29 -2.600 10.876 -1.357 256 H LEU 30 H LEU 30 -1.019 7.300 -9.275 257 HA LEU 30 HA LEU 30 0.907 5.561 -7.888 258 1HB LEU 30 1HB LEU 30 -0.360 5.451 -10.659 259 2HB LEU 30 2HB LEU 30 0.670 4.202 -9.973 260 HG LEU 30 HG LEU 30 -2.079 5.034 -8.958 261 1HD1 LEU 30 1HD1 LEU 30 -2.735 2.785 -9.708 262 2HD1 LEU 30 2HD1 LEU 30 -2.112 3.746 -11.053 263 3HD1 LEU 30 3HD1 LEU 30 -1.084 2.506 -10.321 264 1HD2 LEU 30 1HD2 LEU 30 -0.815 4.354 -7.028 265 2HD2 LEU 30 2HD2 LEU 30 -1.842 2.991 -7.482 266 3HD2 LEU 30 3HD2 LEU 30 -0.116 2.966 -7.900 267 H ALA 31 H ALA 31 2.933 4.923 -9.017 268 HA ALA 31 HA ALA 31 4.044 6.847 -10.968 269 1HB ALA 31 1HB ALA 31 6.096 7.068 -9.571 270 2HB ALA 31 2HB ALA 31 4.684 7.785 -8.773 271 3HB ALA 31 3HB ALA 31 5.293 6.194 -8.253 272 H GLY 32 H GLY 32 5.605 5.826 -12.306 273 1HA GLY 32 1HA GLY 32 6.951 3.485 -12.110 274 2HA GLY 32 2HA GLY 32 5.298 2.931 -12.387 275 H TRP 33 H TRP 33 5.819 2.045 -14.484 276 HA TRP 33 HA TRP 33 6.322 4.088 -16.548 277 1HB TRP 33 1HB TRP 33 7.995 2.879 -17.667 278 2HB TRP 33 2HB TRP 33 8.493 3.121 -16.014 279 HD1 TRP 33 HD1 TRP 33 6.577 0.135 -17.702 280 HE1 TRP 33 HE1 TRP 33 7.852 -2.017 -17.281 281 HE3 TRP 33 HE3 TRP 33 10.509 2.064 -15.039 282 HZ2 TRP 33 HZ2 TRP 33 10.327 -2.815 -16.018 283 HZ3 TRP 33 HZ3 TRP 33 12.337 0.575 -14.276 284 HH2 TRP 33 HH2 TRP 33 12.262 -1.863 -14.762 285 H VAL 34 H VAL 34 5.844 3.427 -18.731 286 HA VAL 34 HA VAL 34 4.306 0.907 -19.054 287 HB VAL 34 HB VAL 34 2.688 2.729 -18.944 288 1HG1 VAL 34 1HG1 VAL 34 4.102 3.883 -21.376 289 2HG1 VAL 34 2HG1 VAL 34 2.594 4.463 -20.646 290 3HG1 VAL 34 3HG1 VAL 34 4.097 4.591 -19.748 291 1HG2 VAL 34 1HG2 VAL 34 2.211 0.803 -20.383 292 2HG2 VAL 34 2HG2 VAL 34 1.519 2.281 -21.052 293 3HG2 VAL 34 3HG2 VAL 34 2.996 1.604 -21.759 294 H LYS 35 H LYS 35 4.872 -0.244 -20.902 295 HA LYS 35 HA LYS 35 6.922 1.011 -22.652 296 1HB LYS 35 1HB LYS 35 7.159 -1.883 -21.802 297 2HB LYS 35 2HB LYS 35 8.305 -0.879 -22.679 298 1HG LYS 35 1HG LYS 35 8.325 0.503 -20.375 299 2HG LYS 35 2HG LYS 35 7.738 -1.033 -19.729 300 1HD LYS 35 1HD LYS 35 10.294 -0.546 -21.308 301 2HD LYS 35 2HD LYS 35 10.212 -0.861 -19.584 302 1HE LYS 35 1HE LYS 35 9.045 -2.918 -21.480 303 2HE LYS 35 2HE LYS 35 10.799 -2.740 -21.433 304 1HZ LYS 35 1HZ LYS 35 10.015 -4.421 -19.894 305 2HZ LYS 35 2HZ LYS 35 10.754 -3.215 -19.070 306 3HZ LYS 35 3HZ LYS 35 9.108 -3.366 -19.078 307 H ASN 36 H ASN 36 6.677 0.505 -24.797 308 HA ASN 36 HA ASN 36 4.550 -1.301 -25.743 309 1HB ASN 36 1HB ASN 36 5.433 0.589 -27.141 310 2HB ASN 36 2HB ASN 36 7.026 -0.174 -27.142 311 1HD2 ASN 36 2HD2 ASN 36 3.708 -0.397 -28.364 312 2HD2 ASN 36 1HD2 ASN 36 4.013 -1.672 -29.529 313 H ARG 37 H ARG 37 4.934 -3.517 -26.466 314 HA ARG 37 HA ARG 37 7.654 -4.637 -25.930 315 1HB ARG 37 1HB ARG 37 4.915 -5.801 -25.279 316 2HB ARG 37 2HB ARG 37 6.328 -6.813 -25.546 317 1HG ARG 37 1HG ARG 37 7.516 -5.666 -23.694 318 2HG ARG 37 2HG ARG 37 6.036 -4.742 -23.334 319 1HD ARG 37 1HD ARG 37 4.807 -6.763 -22.825 320 2HD ARG 37 2HD ARG 37 6.056 -7.776 -23.549 321 HE ARG 37 HE ARG 37 6.890 -6.151 -21.214 322 1HH1 ARG 37 1HH1 ARG 37 5.871 -9.389 -22.318 323 2HH1 ARG 37 2HH1 ARG 37 6.486 -10.178 -20.916 324 1HH2 ARG 37 1HH2 ARG 37 7.645 -7.129 -19.458 325 2HH2 ARG 37 2HH2 ARG 37 7.563 -8.862 -19.213 326 H ASP 38 H ASP 38 8.380 -6.056 -27.454 327 HA ASP 38 HA ASP 38 7.277 -6.247 -30.073 328 1HB ASP 38 1HB ASP 38 9.618 -6.705 -29.655 329 2HB ASP 38 2HB ASP 38 9.218 -8.001 -28.528 330 H ASP 39 H ASP 39 4.788 -8.878 -29.551 331 HA ASP 39 HA ASP 39 5.948 -6.824 -31.378 332 1HB ASP 39 1HB ASP 39 6.282 -9.185 -32.097 333 2HB ASP 39 2HB ASP 39 4.539 -9.423 -32.040 334 H GLY 40 H GLY 40 4.047 -6.281 -29.212 335 1HA GLY 40 1HA GLY 40 2.305 -4.590 -30.321 336 2HA GLY 40 2HA GLY 40 1.393 -6.095 -30.513 337 H ARG 41 H ARG 41 2.825 -6.944 -27.809 338 HA ARG 41 HA ARG 41 0.681 -6.199 -26.048 339 1HB ARG 41 1HB ARG 41 3.262 -7.697 -25.818 340 2HB ARG 41 2HB ARG 41 2.821 -6.807 -24.375 341 1HG ARG 41 1HG ARG 41 1.948 -9.011 -24.127 342 2HG ARG 41 2HG ARG 41 0.599 -7.908 -24.331 343 1HD ARG 41 1HD ARG 41 0.581 -8.561 -26.812 344 2HD ARG 41 2HD ARG 41 1.773 -9.809 -26.399 345 HE ARG 41 HE ARG 41 -0.515 -9.966 -24.665 346 1HH1 ARG 41 1HH2 ARG 41 0.490 -10.769 -27.976 347 2HH1 ARG 41 2HH2 ARG 41 -0.737 -11.956 -28.207 348 1HH2 ARG 41 1HH1 ARG 41 -2.178 -11.485 -24.976 349 2HH2 ARG 41 2HH1 ARG 41 -2.261 -12.409 -26.445 350 H VAL 42 H VAL 42 0.868 -4.915 -24.125 351 HA VAL 42 HA VAL 42 3.020 -2.864 -24.091 352 HB VAL 42 HB VAL 42 0.046 -2.509 -23.498 353 1HG1 VAL 42 1HG1 VAL 42 2.337 -0.594 -22.878 354 2HG1 VAL 42 2HG1 VAL 42 0.608 -0.184 -22.798 355 3HG1 VAL 42 3HG1 VAL 42 1.286 -1.392 -21.697 356 1HG2 VAL 42 1HG2 VAL 42 1.922 -1.049 -25.394 357 2HG2 VAL 42 2HG2 VAL 42 0.678 -2.228 -25.865 358 3HG2 VAL 42 3HG2 VAL 42 0.195 -0.697 -25.130 359 H GLU 43 H GLU 43 3.773 -2.496 -22.004 360 HA GLU 43 HA GLU 43 2.923 -4.423 -19.890 361 1HB GLU 43 1HB GLU 43 5.161 -4.907 -20.885 362 2HB GLU 43 2HB GLU 43 5.651 -3.240 -20.578 363 1HG GLU 43 1HG GLU 43 5.175 -3.734 -18.086 364 2HG GLU 43 2HG GLU 43 5.112 -5.438 -18.561 365 H ILE 44 H ILE 44 2.610 -3.475 -17.862 366 HA ILE 44 HA ILE 44 3.086 -0.568 -17.581 367 HB ILE 44 HB ILE 44 0.564 -1.882 -16.578 368 1HG1 ILE 44 1HG1 ILE 44 0.775 -0.720 -19.379 369 2HG1 ILE 44 2HG1 ILE 44 0.473 -2.414 -18.984 370 1HG2 ILE 44 1HG2 ILE 44 -0.246 0.391 -16.480 371 2HG2 ILE 44 2HG2 ILE 44 1.402 0.441 -15.866 372 3HG2 ILE 44 3HG2 ILE 44 1.074 0.976 -17.519 373 1HD1 ILE 44 1HD1 ILE 44 -1.662 -1.787 -17.887 374 2HD1 ILE 44 2HD1 ILE 44 -1.406 -0.102 -18.405 375 3HD1 ILE 44 3HD1 ILE 44 -1.599 -1.379 -19.611 376 H LEU 45 H LEU 45 3.905 -0.102 -15.565 377 HA LEU 45 HA LEU 45 3.924 -2.150 -13.396 378 1HB LEU 45 1HB LEU 45 6.056 -2.356 -14.741 379 2HB LEU 45 2HB LEU 45 6.288 -0.616 -14.577 380 HG LEU 45 HG LEU 45 6.213 -1.085 -11.999 381 1HD1 LEU 45 1HD1 LEU 45 7.054 -3.823 -12.987 382 2HD1 LEU 45 2HD1 LEU 45 7.075 -3.243 -11.305 383 3HD1 LEU 45 3HD1 LEU 45 5.535 -3.434 -12.147 384 1HD2 LEU 45 1HD2 LEU 45 8.609 -1.370 -11.905 385 2HD2 LEU 45 2HD2 LEU 45 8.647 -1.979 -13.583 386 3HD2 LEU 45 3HD2 LEU 45 8.209 -0.288 -13.233 387 H ALA 46 H ALA 46 3.444 -1.030 -11.419 388 HA ALA 46 HA ALA 46 4.513 1.593 -11.027 389 1HB ALA 46 1HB ALA 46 2.366 2.203 -12.209 390 2HB ALA 46 2HB ALA 46 1.484 1.294 -10.949 391 3HB ALA 46 3HB ALA 46 2.401 2.743 -10.521 392 H GLU 47 H GLU 47 4.306 2.297 -8.858 393 HA GLU 47 HA GLU 47 3.472 0.213 -6.911 394 1HB GLU 47 1HB GLU 47 4.962 1.177 -5.309 395 2HB GLU 47 2HB GLU 47 5.837 0.610 -6.724 396 1HG GLU 47 1HG GLU 47 6.153 2.912 -7.506 397 2HG GLU 47 2HG GLU 47 5.097 3.530 -6.235 398 H GLY 48 H GLY 48 2.263 0.881 -5.085 399 1HA GLY 48 1HA GLY 48 1.474 3.429 -4.349 400 2HA GLY 48 2HA GLY 48 0.305 2.921 -5.575 401 HA PRO 49 HA PRO 49 -0.943 0.890 -1.552 402 1HB PRO 49 1HB PRO 49 -3.301 2.230 -1.085 403 2HB PRO 49 2HB PRO 49 -1.715 2.745 -0.438 404 1HG PRO 49 1HG PRO 49 -3.176 3.788 -2.857 405 2HG PRO 49 2HG PRO 49 -2.307 4.717 -1.604 406 1HD PRO 49 1HD PRO 49 -1.200 4.086 -4.056 407 2HD PRO 49 2HD PRO 49 -0.215 4.250 -2.570 408 H GLU 50 H GLU 50 -2.685 -0.656 -1.466 409 HA GLU 50 HA GLU 50 -3.091 -1.949 -3.883 410 1HB GLU 50 1HB GLU 50 -3.166 -2.947 -1.606 411 2HB GLU 50 2HB GLU 50 -4.742 -2.197 -1.334 412 1HG GLU 50 1HG GLU 50 -5.677 -3.509 -3.247 413 2HG GLU 50 2HG GLU 50 -4.094 -4.249 -3.500 414 H ASN 51 H ASN 51 -5.420 0.201 -2.169 415 HA ASN 51 HA ASN 51 -7.590 -0.261 -3.967 416 1HB ASN 51 1HB ASN 51 -7.967 0.757 -1.778 417 2HB ASN 51 2HB ASN 51 -6.945 2.139 -2.197 418 1HD2 ASN 51 2HD2 ASN 51 -9.999 0.449 -3.172 419 2HD2 ASN 51 1HD2 ASN 51 -10.746 1.874 -3.839 420 H ALA 52 H ALA 52 -4.919 2.122 -4.071 421 HA ALA 52 HA ALA 52 -5.963 3.657 -6.282 422 1HB ALA 52 1HB ALA 52 -4.249 4.580 -4.802 423 2HB ALA 52 2HB ALA 52 -3.127 3.254 -5.199 424 3HB ALA 52 3HB ALA 52 -3.572 4.440 -6.431 425 H LEU 53 H LEU 53 -3.634 0.962 -5.983 426 HA LEU 53 HA LEU 53 -3.002 0.682 -8.734 427 1HB LEU 53 1HB LEU 53 -3.046 -1.289 -6.426 428 2HB LEU 53 2HB LEU 53 -2.408 -1.708 -8.002 429 HG LEU 53 HG LEU 53 -1.334 0.602 -6.321 430 1HD1 LEU 53 1HD1 LEU 53 -1.080 -1.493 -5.142 431 2HD1 LEU 53 2HD1 LEU 53 -0.376 -2.281 -6.574 432 3HD1 LEU 53 3HD1 LEU 53 0.492 -0.958 -5.753 433 1HD2 LEU 53 1HD2 LEU 53 -0.768 0.704 -8.779 434 2HD2 LEU 53 2HD2 LEU 53 0.628 0.528 -7.717 435 3HD2 LEU 53 3HD2 LEU 53 0.031 -0.875 -8.603 436 H GLN 54 H GLN 54 -5.478 -1.036 -6.771 437 HA GLN 54 HA GLN 54 -6.442 -2.492 -9.015 438 1HB GLN 54 1HB GLN 54 -7.595 -1.930 -6.263 439 2HB GLN 54 2HB GLN 54 -8.495 -2.852 -7.468 440 1HG GLN 54 1HG GLN 54 -5.708 -3.572 -6.459 441 2HG GLN 54 2HG GLN 54 -7.206 -4.328 -5.930 442 1HE2 GLN 54 2HE2 GLN 54 -4.648 -5.165 -7.665 443 2HE2 GLN 54 1HE2 GLN 54 -5.386 -6.030 -9.008 444 H SER 55 H SER 55 -7.456 0.670 -7.711 445 HA SER 55 HA SER 55 -9.754 0.961 -9.390 446 1HB SER 55 1HB SER 55 -7.844 3.106 -8.372 447 2HB SER 55 2HB SER 55 -9.469 3.375 -9.029 448 HG SER 55 HG SER 55 -8.711 2.016 -6.657 449 H PHE 56 H PHE 56 -6.264 1.732 -9.961 450 HA PHE 56 HA PHE 56 -6.626 2.664 -12.631 451 1HB PHE 56 1HB PHE 56 -4.570 3.131 -11.542 452 2HB PHE 56 2HB PHE 56 -4.276 1.437 -11.159 453 HD1 PHE 56 HD1 PHE 56 -4.152 3.988 -13.835 454 HD2 PHE 56 HD2 PHE 56 -3.578 -0.183 -12.871 455 HE1 PHE 56 HE1 PHE 56 -3.261 3.559 -16.093 456 HE2 PHE 56 HE2 PHE 56 -2.541 -0.540 -15.086 457 HZ PHE 56 HZ PHE 56 -2.428 1.297 -16.719 458 H VAL 57 H VAL 57 -5.974 -0.705 -11.375 459 HA VAL 57 HA VAL 57 -5.850 -1.902 -13.920 460 HB VAL 57 HB VAL 57 -6.742 -3.010 -11.228 461 1HG1 VAL 57 1HG1 VAL 57 -6.164 -4.574 -13.780 462 2HG1 VAL 57 2HG1 VAL 57 -6.343 -5.279 -12.157 463 3HG1 VAL 57 3HG1 VAL 57 -7.718 -4.483 -12.923 464 1HG2 VAL 57 1HG2 VAL 57 -4.161 -3.479 -12.777 465 2HG2 VAL 57 2HG2 VAL 57 -4.313 -2.268 -11.507 466 3HG2 VAL 57 3HG2 VAL 57 -4.527 -3.977 -11.115 467 H GLU 58 H GLU 58 -8.762 -1.217 -11.885 468 HA GLU 58 HA GLU 58 -10.625 -2.351 -13.694 469 1HB GLU 58 1HB GLU 58 -10.875 -0.103 -11.659 470 2HB GLU 58 2HB GLU 58 -12.249 -0.730 -12.562 471 1HG GLU 58 1HG GLU 58 -10.475 -2.459 -10.791 472 2HG GLU 58 2HG GLU 58 -11.943 -1.667 -10.239 473 H ALA 59 H ALA 59 -9.213 0.920 -13.536 474 HA ALA 59 HA ALA 59 -10.759 2.081 -15.625 475 1HB ALA 59 1HB ALA 59 -9.051 3.792 -15.721 476 2HB ALA 59 2HB ALA 59 -9.307 3.347 -14.018 477 3HB ALA 59 3HB ALA 59 -7.878 2.761 -14.891 478 H VAL 60 H VAL 60 -7.751 0.102 -15.800 479 HA VAL 60 HA VAL 60 -7.520 0.351 -18.684 480 HB VAL 60 HB VAL 60 -6.522 -1.939 -16.901 481 1HG1 VAL 60 1HG1 VAL 60 -6.528 -2.540 -19.274 482 2HG1 VAL 60 2HG1 VAL 60 -5.704 -1.024 -19.687 483 3HG1 VAL 60 3HG1 VAL 60 -4.872 -2.267 -18.724 484 1HG2 VAL 60 1HG2 VAL 60 -4.331 -0.788 -16.976 485 2HG2 VAL 60 2HG2 VAL 60 -5.090 0.613 -17.769 486 3HG2 VAL 60 3HG2 VAL 60 -5.527 0.159 -16.109 487 H LYS 61 H LYS 61 -8.817 -2.248 -16.529 488 HA LYS 61 HA LYS 61 -9.520 -3.991 -18.599 489 1HB LYS 61 1HB LYS 61 -9.160 -4.558 -16.226 490 2HB LYS 61 2HB LYS 61 -10.671 -3.781 -15.773 491 1HG LYS 61 1HG LYS 61 -10.701 -5.991 -17.847 492 2HG LYS 61 2HG LYS 61 -10.440 -6.412 -16.156 493 1HD LYS 61 1HD LYS 61 -12.534 -5.340 -15.486 494 2HD LYS 61 2HD LYS 61 -12.887 -4.870 -17.145 495 1HE LYS 61 1HE LYS 61 -12.539 -7.743 -16.174 496 2HE LYS 61 2HE LYS 61 -14.091 -6.923 -16.354 497 1HZ LYS 61 1HZ LYS 61 -13.639 -6.700 -18.728 498 2HZ LYS 61 2HZ LYS 61 -12.213 -7.494 -18.573 499 3HZ LYS 61 3HZ LYS 61 -13.617 -8.264 -18.278 500 H ASN 62 H ASN 62 -11.485 -1.414 -17.104 501 HA ASN 62 HA ASN 62 -13.971 -2.124 -18.263 502 1HB ASN 62 1HB ASN 62 -13.698 -0.481 -16.424 503 2HB ASN 62 2HB ASN 62 -12.894 0.632 -17.532 504 1HD2 ASN 62 2HD2 ASN 62 -14.256 2.197 -18.384 505 2HD2 ASN 62 1HD2 ASN 62 -15.984 1.995 -18.610 506 H GLY 63 H GLY 63 -11.124 -0.620 -19.763 507 1HA GLY 63 1HA GLY 63 -10.779 0.273 -21.838 508 2HA GLY 63 2HA GLY 63 -12.170 -0.681 -22.396 509 H SER 64 H SER 64 -11.894 2.030 -20.019 510 HA SER 64 HA SER 64 -14.307 3.235 -20.627 511 1HB SER 64 1HB SER 64 -11.855 4.665 -19.553 512 2HB SER 64 2HB SER 64 -13.559 5.021 -19.237 513 HG SER 64 HG SER 64 -12.473 3.816 -17.564 514 HA PRO 65 HA PRO 65 -12.361 6.273 -23.745 515 1HB PRO 65 1HB PRO 65 -9.840 6.019 -24.741 516 2HB PRO 65 2HB PRO 65 -10.166 6.754 -23.147 517 1HG PRO 65 1HG PRO 65 -9.372 3.891 -23.736 518 2HG PRO 65 2HG PRO 65 -8.612 5.023 -22.581 519 1HD PRO 65 1HD PRO 65 -10.473 3.193 -21.816 520 2HD PRO 65 2HD PRO 65 -10.404 4.807 -21.063 521 H PHE 66 H PHE 66 -11.449 6.031 -26.241 522 HA PHE 66 HA PHE 66 -12.839 3.893 -27.570 523 1HB PHE 66 1HB PHE 66 -11.275 4.698 -29.510 524 2HB PHE 66 2HB PHE 66 -12.563 5.726 -28.917 525 HD1 PHE 66 HD1 PHE 66 -8.844 5.147 -28.535 526 HD2 PHE 66 HD2 PHE 66 -12.137 7.922 -28.160 527 HE1 PHE 66 HE1 PHE 66 -7.271 6.945 -27.923 528 HE2 PHE 66 HE2 PHE 66 -10.537 9.732 -27.603 529 HZ PHE 66 HZ PHE 66 -8.098 9.247 -27.472 530 H SER 67 H SER 67 -9.501 4.215 -26.318 531 HA SER 67 HA SER 67 -8.449 1.824 -27.475 532 1HB SER 67 1HB SER 67 -7.641 2.978 -24.806 533 2HB SER 67 2HB SER 67 -6.627 2.251 -26.064 534 HG SER 67 HG SER 67 -6.499 4.596 -25.900 535 H LYS 68 H LYS 68 -8.314 -0.317 -26.489 536 HA LYS 68 HA LYS 68 -9.395 -0.759 -23.897 537 1HB LYS 68 1HB LYS 68 -11.320 -2.016 -24.217 538 2HB LYS 68 2HB LYS 68 -11.585 -0.564 -25.154 539 1HG LYS 68 1HG LYS 68 -10.818 -3.299 -26.266 540 2HG LYS 68 2HG LYS 68 -12.440 -2.620 -26.193 541 1HD LYS 68 1HD LYS 68 -11.711 -0.758 -27.716 542 2HD LYS 68 2HD LYS 68 -10.120 -1.522 -27.811 543 1HE LYS 68 1HE LYS 68 -11.343 -2.135 -29.781 544 2HE LYS 68 2HE LYS 68 -11.112 -3.567 -28.776 545 1HZ LYS 68 1HZ LYS 68 -13.414 -3.336 -28.031 546 2HZ LYS 68 2HZ LYS 68 -13.621 -1.983 -28.928 547 3HZ LYS 68 3HZ LYS 68 -13.364 -3.416 -29.655 548 H VAL 69 H VAL 69 -9.042 -2.895 -23.138 549 HA VAL 69 HA VAL 69 -6.982 -4.354 -24.637 550 HB VAL 69 HB VAL 69 -6.880 -5.764 -22.630 551 1HG1 VAL 69 1HG1 VAL 69 -5.881 -4.119 -21.163 552 2HG1 VAL 69 2HG1 VAL 69 -5.562 -3.666 -22.845 553 3HG1 VAL 69 3HG1 VAL 69 -6.797 -2.798 -21.918 554 1HG2 VAL 69 1HG2 VAL 69 -8.054 -5.172 -20.556 555 2HG2 VAL 69 2HG2 VAL 69 -9.002 -3.938 -21.402 556 3HG2 VAL 69 3HG2 VAL 69 -9.203 -5.660 -21.802 557 H THR 70 H THR 70 -7.255 -6.495 -25.363 558 HA THR 70 HA THR 70 -9.945 -7.736 -25.080 559 HB THR 70 HB THR 70 -9.445 -8.920 -27.226 560 HG1 THR 70 HG1 THR 70 -7.786 -8.247 -28.477 561 1HG2 THR 70 1HG2 THR 70 -9.507 -5.874 -27.515 562 2HG2 THR 70 2HG2 THR 70 -10.049 -7.073 -28.708 563 3HG2 THR 70 3HG2 THR 70 -10.918 -6.900 -27.175 564 H ASP 71 H ASP 71 -6.596 -7.785 -24.310 565 HA ASP 71 HA ASP 71 -6.963 -10.310 -22.864 566 1HB ASP 71 1HB ASP 71 -5.819 -11.090 -24.865 567 2HB ASP 71 2HB ASP 71 -4.716 -9.714 -24.831 568 H ILE 72 H ILE 72 -6.060 -10.074 -20.840 569 HA ILE 72 HA ILE 72 -4.076 -8.029 -20.262 570 HB ILE 72 HB ILE 72 -5.947 -6.632 -20.098 571 1HG1 ILE 72 1HG1 ILE 72 -5.660 -7.551 -17.213 572 2HG1 ILE 72 2HG1 ILE 72 -4.351 -6.753 -18.069 573 1HG2 ILE 72 1HG2 ILE 72 -8.038 -7.090 -18.846 574 2HG2 ILE 72 2HG2 ILE 72 -7.821 -8.205 -20.183 575 3HG2 ILE 72 3HG2 ILE 72 -7.481 -8.739 -18.522 576 1HD1 ILE 72 1HD1 ILE 72 -7.093 -5.547 -17.501 577 2HD1 ILE 72 2HD1 ILE 72 -5.548 -5.098 -16.770 578 3HD1 ILE 72 3HD1 ILE 72 -5.831 -4.777 -18.487 579 H SER 73 H SER 73 -2.748 -8.794 -18.714 580 HA SER 73 HA SER 73 -3.681 -10.940 -16.874 581 1HB SER 73 1HB SER 73 -1.057 -10.900 -18.442 582 2HB SER 73 2HB SER 73 -1.533 -12.100 -17.228 583 HG SER 73 HG SER 73 -1.906 -12.822 -19.373 584 H VAL 74 H VAL 74 -3.231 -10.379 -14.847 585 HA VAL 74 HA VAL 74 -1.362 -8.149 -14.327 586 HB VAL 74 HB VAL 74 -3.741 -7.585 -14.442 587 1HG1 VAL 74 1HG1 VAL 74 -4.209 -9.395 -12.052 588 2HG1 VAL 74 2HG1 VAL 74 -5.368 -8.258 -12.763 589 3HG1 VAL 74 3HG1 VAL 74 -4.825 -9.651 -13.699 590 1HG2 VAL 74 1HG2 VAL 74 -3.880 -6.288 -12.397 591 2HG2 VAL 74 2HG2 VAL 74 -2.740 -7.370 -11.569 592 3HG2 VAL 74 3HG2 VAL 74 -2.186 -6.348 -12.904 593 H THR 75 H THR 75 -0.210 -8.187 -12.442 594 HA THR 75 HA THR 75 -0.477 -10.422 -10.535 595 HB THR 75 HB THR 75 2.191 -9.452 -11.659 596 HG1 THR 75 HG1 THR 75 1.107 -10.567 -13.268 597 1HG2 THR 75 1HG2 THR 75 3.065 -11.571 -10.650 598 2HG2 THR 75 2HG2 THR 75 2.449 -10.436 -9.450 599 3HG2 THR 75 3HG2 THR 75 1.470 -11.848 -9.914 600 H GLU 76 H GLU 76 0.456 -9.704 -8.405 601 HA GLU 76 HA GLU 76 0.967 -6.797 -8.201 602 1HB GLU 76 1HB GLU 76 -0.830 -8.419 -6.363 603 2HB GLU 76 2HB GLU 76 -0.187 -6.809 -5.994 604 1HG GLU 76 1HG GLU 76 -1.273 -5.929 -8.074 605 2HG GLU 76 2HG GLU 76 -2.036 -7.503 -8.316 606 H SER 77 H SER 77 2.396 -6.259 -6.522 607 HA SER 77 HA SER 77 4.195 -8.460 -5.662 608 1HB SER 77 1HB SER 77 5.058 -6.029 -7.267 609 2HB SER 77 2HB SER 77 6.036 -7.442 -6.859 610 HG SER 77 HG SER 77 4.574 -8.654 -8.240 611 H ARG 78 H ARG 78 5.968 -7.603 -4.268 612 HA ARG 78 HA ARG 78 5.241 -5.076 -2.823 613 1HB ARG 78 1HB ARG 78 6.275 -7.744 -1.769 614 2HB ARG 78 2HB ARG 78 6.430 -6.254 -0.860 615 1HG ARG 78 1HG ARG 78 4.578 -7.460 -0.028 616 2HG ARG 78 2HG ARG 78 4.008 -5.961 -0.759 617 1HD ARG 78 1HD ARG 78 3.025 -7.101 -2.597 618 2HD ARG 78 2HD ARG 78 3.948 -8.594 -2.269 619 HE ARG 78 HE ARG 78 2.324 -7.983 -0.024 620 1HH1 ARG 78 1HH2 ARG 78 1.977 -9.148 -3.367 621 2HH1 ARG 78 2HH2 ARG 78 0.502 -9.987 -3.069 622 1HH2 ARG 78 1HH1 ARG 78 0.362 -9.118 0.370 623 2HH2 ARG 78 2HH1 ARG 78 -0.430 -9.971 -0.896 624 H SER 79 H SER 79 7.370 -6.231 -5.072 625 HA SER 79 HA SER 79 9.899 -5.809 -3.991 626 1HB SER 79 1HB SER 79 9.245 -5.302 -6.895 627 2HB SER 79 2HB SER 79 10.648 -6.107 -6.186 628 HG SER 79 HG SER 79 9.279 -7.656 -7.072 629 H LEU 80 H LEU 80 7.613 -3.517 -5.401 630 HA LEU 80 HA LEU 80 7.535 -1.288 -5.671 631 1HB LEU 80 1HB LEU 80 9.766 -1.116 -3.615 632 2HB LEU 80 2HB LEU 80 8.823 0.229 -4.205 633 HG LEU 80 HG LEU 80 7.704 -2.114 -2.623 634 1HD1 LEU 80 1HD1 LEU 80 7.444 -0.470 -0.819 635 2HD1 LEU 80 2HD1 LEU 80 9.140 -0.613 -1.298 636 3HD1 LEU 80 3HD1 LEU 80 8.188 0.788 -1.833 637 1HD2 LEU 80 1HD2 LEU 80 5.963 -1.213 -4.122 638 2HD2 LEU 80 2HD2 LEU 80 5.640 -0.747 -2.457 639 3HD2 LEU 80 3HD2 LEU 80 6.343 0.438 -3.579 640 H GLU 81 H GLU 81 9.053 0.714 -6.261 641 HA GLU 81 HA GLU 81 11.296 -0.124 -7.999 642 1HB GLU 81 1HB GLU 81 10.189 0.712 -10.028 643 2HB GLU 81 2HB GLU 81 9.307 -0.621 -9.306 644 1HG GLU 81 1HG GLU 81 7.866 1.258 -8.143 645 2HG GLU 81 2HG GLU 81 8.575 2.317 -9.364 646 H GLY 82 H GLY 82 9.875 2.270 -5.992 647 1HA GLY 82 1HA GLY 82 10.863 4.132 -5.159 648 2HA GLY 82 2HA GLY 82 12.287 3.819 -6.162 649 H HIS 83 H HIS 83 9.449 3.976 -8.083 650 HA HIS 83 HA HIS 83 10.371 6.398 -9.370 651 1HB HIS 83 1HB HIS 83 7.932 4.616 -9.733 652 2HB HIS 83 2HB HIS 83 8.142 6.118 -10.620 653 HD1 HIS 83 HD1 HIS 83 10.921 3.406 -10.042 654 HD2 HIS 83 HD2 HIS 83 8.730 5.451 -13.017 655 HE1 HIS 83 HE1 HIS 83 11.900 2.703 -12.274 656 H HIS 84 H HIS 84 9.469 8.407 -9.352 657 HA HIS 84 HA HIS 84 7.236 9.029 -7.480 658 1HB HIS 84 1HB HIS 84 9.921 10.438 -7.791 659 2HB HIS 84 2HB HIS 84 8.528 11.179 -7.021 660 HD1 HIS 84 HD1 HIS 84 10.737 7.996 -6.370 661 HD2 HIS 84 HD2 HIS 84 8.190 10.798 -4.507 662 HE1 HIS 84 HE1 HIS 84 10.871 7.541 -3.885 663 H ARG 85 H ARG 85 7.554 8.555 -10.491 664 HA ARG 85 HA ARG 85 5.968 10.789 -11.436 665 1HB ARG 85 1HB ARG 85 7.390 11.167 -13.426 666 2HB ARG 85 2HB ARG 85 8.195 11.673 -11.949 667 1HG ARG 85 1HG ARG 85 9.681 9.793 -11.953 668 2HG ARG 85 2HG ARG 85 8.750 8.935 -13.186 669 1HD ARG 85 1HD ARG 85 10.193 11.568 -13.663 670 2HD ARG 85 2HD ARG 85 10.859 9.968 -14.047 671 HE ARG 85 HE ARG 85 8.620 9.723 -15.381 672 1HH1 ARG 85 1HH1 ARG 85 10.839 12.496 -15.436 673 2HH1 ARG 85 2HH1 ARG 85 10.180 13.159 -16.886 674 1HH2 ARG 85 1HH2 ARG 85 7.621 10.680 -17.094 675 2HH2 ARG 85 2HH2 ARG 85 8.328 12.033 -17.936 676 H PHE 86 H PHE 86 5.351 10.178 -13.837 677 HA PHE 86 HA PHE 86 5.236 7.221 -14.144 678 1HB PHE 86 1HB PHE 86 3.544 7.666 -15.878 679 2HB PHE 86 2HB PHE 86 3.036 8.042 -14.248 680 HD1 PHE 86 HD1 PHE 86 2.025 10.112 -13.788 681 HD2 PHE 86 HD2 PHE 86 4.326 9.649 -17.411 682 HE1 PHE 86 HE1 PHE 86 1.328 12.382 -14.537 683 HE2 PHE 86 HE2 PHE 86 3.598 11.894 -18.162 684 HZ PHE 86 HZ PHE 86 2.106 13.270 -16.724 685 H SER 87 H SER 87 6.124 6.353 -16.038 686 HA SER 87 HA SER 87 7.606 8.190 -17.870 687 1HB SER 87 1HB SER 87 8.637 5.659 -16.523 688 2HB SER 87 2HB SER 87 9.528 6.669 -17.679 689 HG SER 87 HG SER 87 10.043 7.161 -15.498 690 H ILE 88 H ILE 88 8.191 7.173 -19.948 691 HA ILE 88 HA ILE 88 6.288 5.061 -20.809 692 HB ILE 88 HB ILE 88 6.632 7.790 -22.138 693 1HG1 ILE 88 1HG1 ILE 88 4.356 6.758 -20.401 694 2HG1 ILE 88 2HG1 ILE 88 5.388 8.149 -20.079 695 1HG2 ILE 88 1HG2 ILE 88 4.868 7.104 -23.639 696 2HG2 ILE 88 2HG2 ILE 88 6.082 5.832 -23.647 697 3HG2 ILE 88 3HG2 ILE 88 4.583 5.617 -22.711 698 1HD1 ILE 88 1HD1 ILE 88 3.259 8.960 -20.768 699 2HD1 ILE 88 2HD1 ILE 88 4.405 9.292 -22.085 700 3HD1 ILE 88 3HD1 ILE 88 3.241 7.945 -22.213 701 H VAL 89 H VAL 89 7.258 3.684 -22.265 702 HA VAL 89 HA VAL 89 9.918 4.423 -23.389 703 HB VAL 89 HB VAL 89 9.206 1.747 -22.133 704 1HG1 VAL 89 1HG1 VAL 89 11.054 1.657 -23.743 705 2HG1 VAL 89 2HG1 VAL 89 11.876 2.997 -22.910 706 3HG1 VAL 89 3HG1 VAL 89 11.670 1.427 -22.109 707 1HG2 VAL 89 1HG2 VAL 89 9.158 3.313 -20.267 708 2HG2 VAL 89 2HG2 VAL 89 10.640 2.370 -20.194 709 3HG2 VAL 89 3HG2 VAL 89 10.695 4.043 -20.794 710 H TYR 90 H TYR 90 10.231 3.769 -25.470 711 HA TYR 90 HA TYR 90 8.612 1.631 -26.664 712 1HB TYR 90 1HB TYR 90 7.863 3.078 -28.524 713 2HB TYR 90 2HB TYR 90 7.190 3.548 -26.982 714 HD1 TYR 90 HD1 TYR 90 7.861 5.660 -25.864 715 HD2 TYR 90 HD2 TYR 90 9.443 4.554 -29.724 716 HE1 TYR 90 HE1 TYR 90 8.649 7.983 -26.200 717 HE2 TYR 90 HE2 TYR 90 10.237 6.870 -30.071 718 HH TYR 90 HH TYR 90 10.384 9.019 -29.177 719 H SER 91 H SER 91 11.573 2.582 -26.030 720 HA SER 91 HA SER 91 13.019 2.955 -28.371 721 1HB SER 91 1HB SER 91 13.932 1.386 -25.931 722 2HB SER 91 2HB SER 91 14.917 2.357 -27.034 723 HG SER 91 HG SER 91 14.445 3.501 -25.090 Start of MODEL 10 1 1H MET 1 1H MET 1 2.686 -1.867 2.017 2 2H MET 1 2H MET 1 4.178 -1.438 1.520 3 3H MET 1 3H MET 1 3.234 -0.352 2.318 4 HA MET 1 HA MET 1 1.640 -0.342 0.524 5 1HB MET 1 1HB MET 1 4.030 1.031 0.598 6 2HB MET 1 2HB MET 1 4.131 0.252 -0.982 7 1HG MET 1 1HG MET 1 1.801 1.141 -1.448 8 2HG MET 1 2HG MET 1 1.834 1.952 0.108 9 1HE MET 1 1HE MET 1 5.051 1.896 -2.448 10 2HE MET 1 2HE MET 1 3.527 1.494 -3.265 11 3HE MET 1 3HE MET 1 4.336 3.044 -3.606 12 H LEU 2 H LEU 2 2.065 -0.673 -2.237 13 HA LEU 2 HA LEU 2 2.572 -3.560 -2.668 14 1HB LEU 2 1HB LEU 2 -0.060 -2.097 -2.716 15 2HB LEU 2 2HB LEU 2 0.212 -3.247 -4.002 16 HG LEU 2 HG LEU 2 0.606 -4.109 -1.140 17 1HD1 LEU 2 1HD1 LEU 2 -1.608 -3.142 -1.248 18 2HD1 LEU 2 2HD1 LEU 2 -1.997 -4.084 -2.710 19 3HD1 LEU 2 3HD1 LEU 2 -1.732 -4.901 -1.151 20 1HD2 LEU 2 1HD2 LEU 2 1.424 -5.698 -2.827 21 2HD2 LEU 2 2HD2 LEU 2 -0.042 -6.334 -2.105 22 3HD2 LEU 2 3HD2 LEU 2 -0.108 -5.596 -3.716 23 H GLN 3 H GLN 3 2.113 -3.988 -5.072 24 HA GLN 3 HA GLN 3 2.785 -1.820 -6.926 25 1HB GLN 3 1HB GLN 3 4.950 -2.437 -6.108 26 2HB GLN 3 2HB GLN 3 4.532 -4.142 -6.044 27 1HG GLN 3 1HG GLN 3 4.650 -4.302 -8.499 28 2HG GLN 3 2HG GLN 3 5.038 -2.577 -8.587 29 1HE2 GLN 3 2HE2 GLN 3 7.212 -2.240 -8.843 30 2HE2 GLN 3 1HE2 GLN 3 8.480 -3.190 -8.053 31 H TYR 4 H TYR 4 2.498 -2.552 -9.171 32 HA TYR 4 HA TYR 4 1.397 -5.265 -9.495 33 1HB TYR 4 1HB TYR 4 -0.204 -4.624 -11.166 34 2HB TYR 4 2HB TYR 4 -0.567 -3.869 -9.637 35 HD1 TYR 4 HD1 TYR 4 1.493 -2.859 -12.738 36 HD2 TYR 4 HD2 TYR 4 -1.700 -1.878 -10.010 37 HE1 TYR 4 HE1 TYR 4 1.328 -0.648 -13.746 38 HE2 TYR 4 HE2 TYR 4 -1.875 0.351 -11.035 39 HH TYR 4 HH TYR 4 0.304 1.450 -13.675 40 H ARG 5 H ARG 5 1.680 -6.115 -11.624 41 HA ARG 5 HA ARG 5 3.168 -4.486 -13.544 42 1HB ARG 5 1HB ARG 5 4.832 -6.102 -12.419 43 2HB ARG 5 2HB ARG 5 3.920 -7.417 -13.171 44 1HG ARG 5 1HG ARG 5 4.399 -6.469 -15.420 45 2HG ARG 5 2HG ARG 5 5.214 -5.080 -14.671 46 1HD ARG 5 1HD ARG 5 6.846 -6.666 -13.610 47 2HD ARG 5 2HD ARG 5 6.068 -7.999 -14.485 48 HE ARG 5 HE ARG 5 6.881 -5.896 -16.299 49 1HH1 ARG 5 1HH2 ARG 5 8.287 -8.545 -14.372 50 2HH1 ARG 5 2HH2 ARG 5 9.637 -8.749 -15.425 51 1HH2 ARG 5 1HH1 ARG 5 8.536 -6.180 -17.654 52 2HH2 ARG 5 2HH1 ARG 5 9.819 -7.343 -17.371 53 H ILE 6 H ILE 6 2.228 -4.799 -15.591 54 HA ILE 6 HA ILE 6 -0.061 -6.696 -15.778 55 HB ILE 6 HB ILE 6 -0.059 -3.695 -16.293 56 1HG1 ILE 6 1HG1 ILE 6 -1.718 -5.217 -14.248 57 2HG1 ILE 6 2HG1 ILE 6 -0.241 -4.347 -13.854 58 1HG2 ILE 6 1HG2 ILE 6 -2.475 -3.927 -16.856 59 2HG2 ILE 6 2HG2 ILE 6 -1.448 -4.802 -17.968 60 3HG2 ILE 6 3HG2 ILE 6 -2.326 -5.687 -16.702 61 1HD1 ILE 6 1HD1 ILE 6 -1.998 -2.902 -13.279 62 2HD1 ILE 6 2HD1 ILE 6 -1.264 -2.251 -14.752 63 3HD1 ILE 6 3HD1 ILE 6 -2.825 -3.116 -14.828 64 H ILE 7 H ILE 7 -0.415 -7.363 -17.914 65 HA ILE 7 HA ILE 7 1.126 -6.059 -20.047 66 HB ILE 7 HB ILE 7 0.915 -8.777 -20.814 67 1HG1 ILE 7 1HG1 ILE 7 0.946 -9.382 -18.337 68 2HG1 ILE 7 2HG1 ILE 7 2.083 -10.157 -19.416 69 1HG2 ILE 7 1HG2 ILE 7 3.366 -7.120 -20.151 70 2HG2 ILE 7 2HG2 ILE 7 3.333 -8.604 -21.138 71 3HG2 ILE 7 3HG2 ILE 7 2.488 -7.145 -21.677 72 1HD1 ILE 7 1HD1 ILE 7 2.856 -7.843 -17.594 73 2HD1 ILE 7 2HD1 ILE 7 3.090 -9.562 -17.236 74 3HD1 ILE 7 3HD1 ILE 7 3.938 -8.824 -18.603 75 H VAL 8 H VAL 8 -0.097 -5.786 -21.881 76 HA VAL 8 HA VAL 8 -2.873 -6.843 -21.897 77 HB VAL 8 HB VAL 8 -3.383 -4.283 -22.443 78 1HG1 VAL 8 1HG1 VAL 8 -4.412 -5.597 -20.665 79 2HG1 VAL 8 2HG1 VAL 8 -3.017 -5.313 -19.608 80 3HG1 VAL 8 3HG1 VAL 8 -4.049 -3.956 -20.106 81 1HG2 VAL 8 1HG2 VAL 8 -2.186 -2.661 -21.171 82 2HG2 VAL 8 2HG2 VAL 8 -1.154 -3.886 -20.408 83 3HG2 VAL 8 3HG2 VAL 8 -0.991 -3.545 -22.134 84 H ASP 9 H ASP 9 -3.895 -6.846 -23.880 85 HA ASP 9 HA ASP 9 -2.525 -5.777 -26.266 86 1HB ASP 9 1HB ASP 9 -1.778 -8.112 -26.207 87 2HB ASP 9 2HB ASP 9 -3.436 -8.662 -25.956 88 H GLY 10 H GLY 10 -4.088 -5.407 -27.993 89 1HA GLY 10 1HA GLY 10 -6.696 -5.822 -28.345 90 2HA GLY 10 2HA GLY 10 -6.723 -4.734 -26.938 91 H ARG 11 H ARG 11 -7.614 -3.030 -28.211 92 HA ARG 11 HA ARG 11 -5.763 -1.700 -30.101 93 1HB ARG 11 1HB ARG 11 -8.250 -1.475 -30.513 94 2HB ARG 11 2HB ARG 11 -8.400 -0.682 -28.951 95 1HG ARG 11 1HG ARG 11 -8.405 1.063 -30.462 96 2HG ARG 11 2HG ARG 11 -6.772 1.108 -29.809 97 1HD ARG 11 1HD ARG 11 -7.477 -0.268 -32.439 98 2HD ARG 11 2HD ARG 11 -7.097 1.442 -32.334 99 HE ARG 11 HE ARG 11 -4.880 0.946 -31.516 100 1HH1 ARG 11 1HH2 ARG 11 -6.523 -1.797 -33.097 101 2HH1 ARG 11 2HH2 ARG 11 -5.049 -2.576 -33.533 102 1HH2 ARG 11 2HH1 ARG 11 -3.009 -0.038 -32.090 103 2HH2 ARG 11 1HH1 ARG 11 -2.972 -1.551 -32.944 104 H VAL 12 H VAL 12 -4.127 -2.028 -28.413 105 HA VAL 12 HA VAL 12 -4.348 -0.141 -26.117 106 HB VAL 12 HB VAL 12 -2.604 -1.498 -25.055 107 1HG1 VAL 12 1HG1 VAL 12 -4.934 -1.987 -24.570 108 2HG1 VAL 12 2HG1 VAL 12 -5.028 -3.109 -25.936 109 3HG1 VAL 12 3HG1 VAL 12 -3.971 -3.475 -24.561 110 1HG2 VAL 12 1HG2 VAL 12 -1.476 -2.410 -27.086 111 2HG2 VAL 12 2HG2 VAL 12 -1.870 -3.634 -25.887 112 3HG2 VAL 12 3HG2 VAL 12 -2.865 -3.482 -27.354 113 H GLN 13 H GLN 13 -3.274 0.142 -29.166 114 HA GLN 13 HA GLN 13 -1.350 2.176 -28.380 115 1HB GLN 13 1HB GLN 13 -0.506 -0.142 -30.186 116 2HB GLN 13 2HB GLN 13 0.337 1.397 -30.151 117 1HG GLN 13 1HG GLN 13 0.136 -0.507 -27.797 118 2HG GLN 13 2HG GLN 13 1.484 -0.376 -28.899 119 1HE2 GLN 13 2HE2 GLN 13 -0.172 1.245 -26.229 120 2HE2 GLN 13 1HE2 GLN 13 1.160 2.295 -25.811 121 H GLY 14 H GLY 14 -0.811 3.550 -30.317 122 1HA GLY 14 1HA GLY 14 -1.126 4.303 -32.479 123 2HA GLY 14 2HA GLY 14 -2.416 3.120 -32.731 124 H VAL 15 H VAL 15 -3.359 4.400 -29.907 125 HA VAL 15 HA VAL 15 -4.850 6.692 -31.090 126 HB VAL 15 HB VAL 15 -6.911 5.754 -30.099 127 1HG1 VAL 15 1HG1 VAL 15 -6.336 5.286 -32.475 128 2HG1 VAL 15 2HG1 VAL 15 -5.605 3.743 -31.978 129 3HG1 VAL 15 3HG1 VAL 15 -7.334 4.030 -31.732 130 1HG2 VAL 15 1HG2 VAL 15 -7.024 3.459 -29.295 131 2HG2 VAL 15 2HG2 VAL 15 -5.286 3.219 -29.547 132 3HG2 VAL 15 3HG2 VAL 15 -5.871 4.361 -28.312 133 H GLY 16 H GLY 16 -2.594 6.245 -28.922 134 1HA GLY 16 1HA GLY 16 -1.984 7.800 -27.322 135 2HA GLY 16 2HA GLY 16 -3.658 8.316 -27.131 136 H PHE 17 H PHE 17 -3.450 4.887 -26.903 137 HA PHE 17 HA PHE 17 -4.306 4.750 -24.246 138 1HB PHE 17 1HB PHE 17 -4.453 2.910 -25.890 139 2HB PHE 17 2HB PHE 17 -2.719 2.711 -25.806 140 HD1 PHE 17 HD1 PHE 17 -1.732 1.291 -24.124 141 HD2 PHE 17 HD2 PHE 17 -5.839 2.533 -23.690 142 HE1 PHE 17 HE1 PHE 17 -2.099 -0.486 -22.444 143 HE2 PHE 17 HE2 PHE 17 -6.197 0.746 -22.017 144 HZ PHE 17 HZ PHE 17 -4.330 -0.797 -21.422 145 H ARG 18 H ARG 18 -0.926 4.662 -25.484 146 HA ARG 18 HA ARG 18 0.266 3.938 -23.018 147 1HB ARG 18 1HB ARG 18 1.263 4.092 -25.464 148 2HB ARG 18 2HB ARG 18 1.686 5.748 -25.006 149 1HG ARG 18 1HG ARG 18 2.831 4.771 -22.976 150 2HG ARG 18 2HG ARG 18 2.523 3.157 -23.615 151 1HD ARG 18 1HD ARG 18 4.257 5.321 -24.877 152 2HD ARG 18 2HD ARG 18 4.822 3.876 -24.022 153 HE ARG 18 HE ARG 18 3.172 3.119 -26.256 154 1HH1 ARG 18 1HH2 ARG 18 6.525 4.306 -25.565 155 2HH1 ARG 18 2HH2 ARG 18 7.041 3.770 -27.155 156 1HH2 ARG 18 1HH1 ARG 18 4.075 2.397 -28.210 157 2HH2 ARG 18 2HH1 ARG 18 5.775 2.758 -28.560 158 H TYR 19 H TYR 19 -0.746 7.144 -24.239 159 HA TYR 19 HA TYR 19 0.343 8.572 -21.936 160 1HB TYR 19 1HB TYR 19 0.060 9.805 -23.990 161 2HB TYR 19 2HB TYR 19 -1.633 9.341 -24.117 162 HD1 TYR 19 HD1 TYR 19 0.764 11.227 -21.917 163 HD2 TYR 19 HD2 TYR 19 -3.341 10.673 -23.137 164 HE1 TYR 19 HE1 TYR 19 0.094 13.178 -20.543 165 HE2 TYR 19 HE2 TYR 19 -4.019 12.617 -21.767 166 HH TYR 19 HH TYR 19 -3.314 14.307 -20.322 167 H PHE 20 H PHE 20 -2.939 7.397 -22.957 168 HA PHE 20 HA PHE 20 -4.363 8.375 -20.748 169 1HB PHE 20 1HB PHE 20 -5.793 7.522 -22.364 170 2HB PHE 20 2HB PHE 20 -4.746 6.177 -22.740 171 HD1 PHE 20 HD1 PHE 20 -7.527 7.279 -20.558 172 HD2 PHE 20 HD2 PHE 20 -4.826 4.056 -21.517 173 HE1 PHE 20 HE1 PHE 20 -8.879 5.726 -19.188 174 HE2 PHE 20 HE2 PHE 20 -6.152 2.513 -20.086 175 HZ PHE 20 HZ PHE 20 -8.195 3.350 -18.938 176 H VAL 21 H VAL 21 -2.597 5.277 -20.968 177 HA VAL 21 HA VAL 21 -3.281 4.258 -18.462 178 HB VAL 21 HB VAL 21 -0.925 4.031 -20.341 179 1HG1 VAL 21 1HG1 VAL 21 -1.012 2.786 -17.587 180 2HG1 VAL 21 2HG1 VAL 21 -0.044 2.145 -18.935 181 3HG1 VAL 21 3HG1 VAL 21 0.262 3.770 -18.315 182 1HG2 VAL 21 1HG2 VAL 21 -3.024 2.052 -19.324 183 2HG2 VAL 21 2HG2 VAL 21 -3.048 2.869 -20.890 184 3HG2 VAL 21 3HG2 VAL 21 -1.771 1.712 -20.539 185 H GLN 22 H GLN 22 -0.626 6.648 -19.231 186 HA GLN 22 HA GLN 22 -0.067 6.791 -16.367 187 1HB GLN 22 1HB GLN 22 1.022 8.445 -18.641 188 2HB GLN 22 2HB GLN 22 1.607 8.453 -16.976 189 1HG GLN 22 1HG GLN 22 1.820 6.197 -18.998 190 2HG GLN 22 2HG GLN 22 3.106 7.164 -18.290 191 1HE2 GLN 22 2HE2 GLN 22 4.356 5.407 -17.479 192 2HE2 GLN 22 1HE2 GLN 22 3.737 4.390 -16.178 193 H MET 23 H MET 23 -2.239 8.484 -18.473 194 HA MET 23 HA MET 23 -2.561 10.738 -16.676 195 1HB MET 23 1HB MET 23 -3.741 11.528 -18.338 196 2HB MET 23 2HB MET 23 -3.602 10.024 -19.228 197 1HG MET 23 1HG MET 23 -5.686 9.210 -18.320 198 2HG MET 23 2HG MET 23 -5.771 10.556 -17.167 199 1HE MET 23 1HE MET 23 -5.274 10.312 -21.194 200 2HE MET 23 2HE MET 23 -6.514 9.199 -20.554 201 3HE MET 23 3HE MET 23 -6.989 10.582 -21.573 202 H GLU 24 H GLU 24 -4.148 7.479 -16.965 203 HA GLU 24 HA GLU 24 -5.872 7.958 -14.722 204 1HB GLU 24 1HB GLU 24 -4.934 5.397 -16.076 205 2HB GLU 24 2HB GLU 24 -6.188 5.470 -14.836 206 1HG GLU 24 1HG GLU 24 -6.340 6.849 -17.569 207 2HG GLU 24 2HG GLU 24 -7.113 5.333 -17.105 208 H ALA 25 H ALA 25 -2.595 6.555 -15.076 209 HA ALA 25 HA ALA 25 -2.243 5.731 -12.394 210 1HB ALA 25 1HB ALA 25 -0.154 6.949 -14.246 211 2HB ALA 25 2HB ALA 25 0.148 5.892 -12.871 212 3HB ALA 25 3HB ALA 25 -0.688 5.244 -14.299 213 H ASP 26 H ASP 26 -1.572 8.931 -13.938 214 HA ASP 26 HA ASP 26 -0.710 10.283 -11.586 215 1HB ASP 26 1HB ASP 26 -0.358 11.236 -13.804 216 2HB ASP 26 2HB ASP 26 -2.090 11.319 -14.091 217 H LYS 27 H LYS 27 -3.975 9.915 -13.031 218 HA LYS 27 HA LYS 27 -5.371 11.464 -11.132 219 1HB LYS 27 1HB LYS 27 -6.321 10.892 -13.225 220 2HB LYS 27 2HB LYS 27 -6.153 9.173 -12.949 221 1HG LYS 27 1HG LYS 27 -7.923 10.765 -11.099 222 2HG LYS 27 2HG LYS 27 -8.487 10.437 -12.731 223 1HD LYS 27 1HD LYS 27 -7.515 8.253 -10.870 224 2HD LYS 27 2HD LYS 27 -9.206 8.745 -10.958 225 1HE LYS 27 1HE LYS 27 -7.533 7.623 -13.252 226 2HE LYS 27 2HE LYS 27 -8.642 6.685 -12.262 227 1HZ LYS 27 1HZ LYS 27 -9.599 7.392 -14.369 228 2HZ LYS 27 2HZ LYS 27 -10.477 7.994 -13.107 229 3HZ LYS 27 3HZ LYS 27 -9.461 8.960 -13.972 230 H ARG 28 H ARG 28 -4.137 8.157 -10.865 231 HA ARG 28 HA ARG 28 -5.320 7.927 -8.135 232 1HB ARG 28 1HB ARG 28 -3.882 5.904 -9.915 233 2HB ARG 28 2HB ARG 28 -4.437 5.563 -8.287 234 1HG ARG 28 1HG ARG 28 -6.132 6.090 -10.731 235 2HG ARG 28 2HG ARG 28 -5.999 4.614 -9.790 236 1HD ARG 28 1HD ARG 28 -7.389 7.195 -8.986 237 2HD ARG 28 2HD ARG 28 -8.109 5.614 -9.323 238 HE ARG 28 HE ARG 28 -6.191 5.755 -7.090 239 1HH1 ARG 28 1HH2 ARG 28 -9.619 5.990 -7.998 240 2HH1 ARG 28 2HH2 ARG 28 -10.207 5.628 -6.423 241 1HH2 ARG 28 1HH1 ARG 28 -6.995 5.393 -4.938 242 2HH2 ARG 28 2HH1 ARG 28 -8.686 5.252 -4.672 243 H LYS 29 H LYS 29 -2.721 9.483 -9.260 244 HA LYS 29 HA LYS 29 -0.570 9.789 -8.775 245 1HB LYS 29 1HB LYS 29 -1.694 9.692 -5.952 246 2HB LYS 29 2HB LYS 29 -0.132 10.387 -6.381 247 1HG LYS 29 1HG LYS 29 -2.800 11.376 -7.473 248 2HG LYS 29 2HG LYS 29 -1.945 12.080 -6.105 249 1HD LYS 29 1HD LYS 29 -0.071 12.748 -7.492 250 2HD LYS 29 2HD LYS 29 -0.722 11.884 -8.896 251 1HE LYS 29 1HE LYS 29 -2.744 13.327 -8.845 252 2HE LYS 29 2HE LYS 29 -2.018 14.271 -7.530 253 1HZ LYS 29 1HZ LYS 29 -1.634 15.280 -9.699 254 2HZ LYS 29 2HZ LYS 29 -0.204 14.830 -9.054 255 3HZ LYS 29 3HZ LYS 29 -0.882 13.935 -10.256 256 H LEU 30 H LEU 30 -0.862 7.253 -9.508 257 HA LEU 30 HA LEU 30 0.909 5.540 -7.867 258 1HB LEU 30 1HB LEU 30 -0.240 5.320 -10.689 259 2HB LEU 30 2HB LEU 30 0.797 4.105 -9.945 260 HG LEU 30 HG LEU 30 -1.971 4.928 -8.969 261 1HD1 LEU 30 1HD1 LEU 30 -0.974 2.399 -10.328 262 2HD1 LEU 30 2HD1 LEU 30 -2.626 2.680 -9.717 263 3HD1 LEU 30 3HD1 LEU 30 -2.000 3.642 -11.063 264 1HD2 LEU 30 1HD2 LEU 30 -1.732 2.885 -7.492 265 2HD2 LEU 30 2HD2 LEU 30 -0.005 2.870 -7.901 266 3HD2 LEU 30 3HD2 LEU 30 -0.716 4.253 -7.035 267 H ALA 31 H ALA 31 3.005 4.808 -8.900 268 HA ALA 31 HA ALA 31 4.177 6.676 -10.869 269 1HB ALA 31 1HB ALA 31 6.196 6.956 -9.478 270 2HB ALA 31 2HB ALA 31 4.782 7.597 -8.630 271 3HB ALA 31 3HB ALA 31 5.457 6.014 -8.170 272 H GLY 32 H GLY 32 5.815 5.609 -12.153 273 1HA GLY 32 1HA GLY 32 6.920 3.115 -11.960 274 2HA GLY 32 2HA GLY 32 5.229 2.797 -12.360 275 H TRP 33 H TRP 33 5.861 1.912 -14.450 276 HA TRP 33 HA TRP 33 6.488 4.011 -16.430 277 1HB TRP 33 1HB TRP 33 8.085 2.737 -17.599 278 2HB TRP 33 2HB TRP 33 8.599 2.894 -15.942 279 HD1 TRP 33 HD1 TRP 33 6.552 0.091 -17.787 280 HE1 TRP 33 HE1 TRP 33 7.655 -2.153 -17.349 281 HE3 TRP 33 HE3 TRP 33 10.481 1.674 -14.894 282 HZ2 TRP 33 HZ2 TRP 33 10.068 -3.140 -16.106 283 HZ3 TRP 33 HZ3 TRP 33 12.195 0.054 -14.142 284 HH2 TRP 33 HH2 TRP 33 12.009 -2.352 -14.748 285 H VAL 34 H VAL 34 5.887 3.507 -18.630 286 HA VAL 34 HA VAL 34 4.373 0.995 -19.072 287 HB VAL 34 HB VAL 34 2.711 2.782 -18.789 288 1HG1 VAL 34 1HG1 VAL 34 2.482 4.547 -20.503 289 2HG1 VAL 34 2HG1 VAL 34 3.970 4.735 -19.565 290 3HG1 VAL 34 3HG1 VAL 34 4.045 4.073 -21.200 291 1HG2 VAL 34 1HG2 VAL 34 2.247 0.874 -20.276 292 2HG2 VAL 34 2HG2 VAL 34 1.447 2.349 -20.842 293 3HG2 VAL 34 3HG2 VAL 34 2.908 1.764 -21.656 294 H LYS 35 H LYS 35 4.776 0.050 -21.060 295 HA LYS 35 HA LYS 35 6.560 1.358 -23.000 296 1HB LYS 35 1HB LYS 35 8.245 -0.401 -22.882 297 2HB LYS 35 2HB LYS 35 8.107 0.422 -21.330 298 1HG LYS 35 1HG LYS 35 6.722 -1.448 -20.451 299 2HG LYS 35 2HG LYS 35 6.949 -2.317 -21.980 300 1HD LYS 35 1HD LYS 35 9.203 -1.420 -20.127 301 2HD LYS 35 2HD LYS 35 8.473 -3.036 -20.125 302 1HE LYS 35 1HE LYS 35 9.133 -3.341 -22.507 303 2HE LYS 35 2HE LYS 35 9.898 -1.749 -22.499 304 1HZ LYS 35 1HZ LYS 35 11.427 -2.564 -20.791 305 2HZ LYS 35 2HZ LYS 35 10.723 -4.041 -20.807 306 3HZ LYS 35 3HZ LYS 35 11.515 -3.496 -22.121 307 H ASN 36 H ASN 36 6.855 -0.147 -24.929 308 HA ASN 36 HA ASN 36 4.601 -2.109 -25.165 309 1HB ASN 36 1HB ASN 36 4.241 -0.240 -26.741 310 2HB ASN 36 2HB ASN 36 5.852 -0.504 -27.421 311 1HD2 ASN 36 2HD2 ASN 36 2.760 -2.301 -26.749 312 2HD2 ASN 36 1HD2 ASN 36 2.925 -3.400 -28.085 313 H ARG 37 H ARG 37 5.304 -4.158 -25.287 314 HA ARG 37 HA ARG 37 8.160 -4.724 -25.105 315 1HB ARG 37 1HB ARG 37 5.666 -6.489 -25.277 316 2HB ARG 37 2HB ARG 37 7.295 -7.100 -24.993 317 1HG ARG 37 1HG ARG 37 7.442 -6.021 -22.841 318 2HG ARG 37 2HG ARG 37 5.972 -5.080 -23.131 319 1HD ARG 37 1HD ARG 37 5.503 -6.976 -21.621 320 2HD ARG 37 2HD ARG 37 4.599 -7.079 -23.121 321 HE ARG 37 HE ARG 37 5.831 -8.934 -23.796 322 1HH1 ARG 37 1HH2 ARG 37 7.134 -7.736 -20.651 323 2HH1 ARG 37 2HH2 ARG 37 8.085 -9.164 -20.417 324 1HH2 ARG 37 1HH1 ARG 37 7.042 -10.681 -23.477 325 2HH2 ARG 37 2HH1 ARG 37 8.042 -10.923 -22.059 326 H ASP 38 H ASP 38 9.322 -6.065 -26.608 327 HA ASP 38 HA ASP 38 8.891 -5.599 -29.373 328 1HB ASP 38 1HB ASP 38 11.078 -6.168 -28.447 329 2HB ASP 38 2HB ASP 38 10.489 -7.754 -27.941 330 H ASP 39 H ASP 39 7.760 -8.190 -27.231 331 HA ASP 39 HA ASP 39 6.803 -9.906 -29.324 332 1HB ASP 39 1HB ASP 39 5.828 -11.243 -27.653 333 2HB ASP 39 2HB ASP 39 7.391 -10.704 -27.066 334 H GLY 40 H GLY 40 5.575 -6.922 -28.198 335 1HA GLY 40 1HA GLY 40 4.024 -5.916 -29.698 336 2HA GLY 40 2HA GLY 40 3.070 -7.402 -29.732 337 H ARG 41 H ARG 41 3.430 -7.629 -26.626 338 HA ARG 41 HA ARG 41 0.898 -6.279 -26.063 339 1HB ARG 41 1HB ARG 41 2.910 -7.769 -24.321 340 2HB ARG 41 2HB ARG 41 1.580 -6.846 -23.636 341 1HG ARG 41 1HG ARG 41 0.825 -9.036 -23.645 342 2HG ARG 41 2HG ARG 41 -0.053 -8.189 -24.906 343 1HD ARG 41 1HD ARG 41 0.525 -10.373 -25.751 344 2HD ARG 41 2HD ARG 41 1.529 -9.209 -26.604 345 HE ARG 41 HE ARG 41 3.431 -9.890 -25.431 346 1HH1 ARG 41 1HH2 ARG 41 0.598 -11.745 -24.309 347 2HH1 ARG 41 2HH2 ARG 41 1.532 -12.926 -23.470 348 1HH2 ARG 41 1HH1 ARG 41 4.659 -11.455 -24.345 349 2HH2 ARG 41 2HH1 ARG 41 3.900 -12.769 -23.495 350 H VAL 42 H VAL 42 0.548 -4.537 -24.617 351 HA VAL 42 HA VAL 42 2.835 -2.694 -24.145 352 HB VAL 42 HB VAL 42 -0.168 -2.495 -23.788 353 1HG1 VAL 42 1HG1 VAL 42 1.917 -0.659 -22.519 354 2HG1 VAL 42 2HG1 VAL 42 0.198 -0.267 -22.694 355 3HG1 VAL 42 3HG1 VAL 42 0.689 -1.622 -21.666 356 1HG2 VAL 42 1HG2 VAL 42 1.903 -0.714 -25.116 357 2HG2 VAL 42 2HG2 VAL 42 0.813 -1.871 -25.941 358 3HG2 VAL 42 3HG2 VAL 42 0.139 -0.482 -25.082 359 H GLU 43 H GLU 43 3.520 -2.328 -22.013 360 HA GLU 43 HA GLU 43 2.633 -4.280 -19.971 361 1HB GLU 43 1HB GLU 43 4.753 -5.044 -21.039 362 2HB GLU 43 2HB GLU 43 5.507 -3.511 -20.589 363 1HG GLU 43 1HG GLU 43 5.010 -4.038 -18.180 364 2HG GLU 43 2HG GLU 43 4.395 -5.613 -18.687 365 H ILE 44 H ILE 44 2.561 -3.391 -17.925 366 HA ILE 44 HA ILE 44 3.288 -0.539 -17.589 367 HB ILE 44 HB ILE 44 0.800 -1.689 -16.368 368 1HG1 ILE 44 1HG1 ILE 44 0.762 -0.570 -19.198 369 2HG1 ILE 44 2HG1 ILE 44 0.417 -2.238 -18.734 370 1HG2 ILE 44 1HG2 ILE 44 1.459 1.120 -17.354 371 2HG2 ILE 44 2HG2 ILE 44 0.109 0.658 -16.291 372 3HG2 ILE 44 3HG2 ILE 44 1.769 0.549 -15.715 373 1HD1 ILE 44 1HD1 ILE 44 -1.666 -1.177 -19.130 374 2HD1 ILE 44 2HD1 ILE 44 -1.530 -1.443 -17.381 375 3HD1 ILE 44 3HD1 ILE 44 -1.274 0.179 -18.072 376 H LEU 45 H LEU 45 4.062 -0.132 -15.490 377 HA LEU 45 HA LEU 45 4.044 -2.290 -13.440 378 1HB LEU 45 1HB LEU 45 6.200 -2.431 -14.795 379 2HB LEU 45 2HB LEU 45 6.469 -0.728 -14.436 380 HG LEU 45 HG LEU 45 6.244 -1.528 -11.912 381 1HD1 LEU 45 1HD1 LEU 45 7.110 -3.766 -11.511 382 2HD1 LEU 45 2HD1 LEU 45 5.619 -3.848 -12.454 383 3HD1 LEU 45 3HD1 LEU 45 7.184 -4.084 -13.261 384 1HD2 LEU 45 1HD2 LEU 45 8.649 -1.772 -11.772 385 2HD2 LEU 45 2HD2 LEU 45 8.751 -2.139 -13.515 386 3HD2 LEU 45 3HD2 LEU 45 8.259 -0.522 -12.955 387 H ALA 46 H ALA 46 3.668 -1.246 -11.374 388 HA ALA 46 HA ALA 46 4.638 1.415 -10.960 389 1HB ALA 46 1HB ALA 46 1.625 0.995 -10.841 390 2HB ALA 46 2HB ALA 46 2.487 2.483 -10.432 391 3HB ALA 46 3HB ALA 46 2.447 1.937 -12.118 392 H GLU 47 H GLU 47 4.345 2.129 -8.788 393 HA GLU 47 HA GLU 47 3.506 0.050 -6.838 394 1HB GLU 47 1HB GLU 47 5.016 0.988 -5.226 395 2HB GLU 47 2HB GLU 47 5.878 0.364 -6.625 396 1HG GLU 47 1HG GLU 47 6.301 2.629 -7.443 397 2HG GLU 47 2HG GLU 47 5.248 3.318 -6.204 398 H GLY 48 H GLY 48 2.285 0.780 -5.032 399 1HA GLY 48 1HA GLY 48 1.637 3.396 -4.360 400 2HA GLY 48 2HA GLY 48 0.436 2.904 -5.560 401 HA PRO 49 HA PRO 49 -0.898 1.129 -1.450 402 1HB PRO 49 1HB PRO 49 -3.163 2.624 -1.017 403 2HB PRO 49 2HB PRO 49 -1.537 3.100 -0.442 404 1HG PRO 49 1HG PRO 49 -2.999 4.044 -2.906 405 2HG PRO 49 2HG PRO 49 -2.079 5.019 -1.723 406 1HD PRO 49 1HD PRO 49 -1.022 4.186 -4.133 407 2HD PRO 49 2HD PRO 49 -0.017 4.392 -2.668 408 H GLU 50 H GLU 50 -2.848 -0.188 -1.189 409 HA GLU 50 HA GLU 50 -3.321 -1.731 -3.433 410 1HB GLU 50 1HB GLU 50 -3.671 -2.381 -1.017 411 2HB GLU 50 2HB GLU 50 -5.159 -1.448 -1.007 412 1HG GLU 50 1HG GLU 50 -6.075 -2.906 -2.820 413 2HG GLU 50 2HG GLU 50 -4.572 -3.827 -2.828 414 H ASN 51 H ASN 51 -5.647 0.640 -1.997 415 HA ASN 51 HA ASN 51 -7.671 0.121 -3.903 416 1HB ASN 51 1HB ASN 51 -8.019 1.280 -1.712 417 2HB ASN 51 2HB ASN 51 -7.165 2.692 -2.341 418 1HD2 ASN 51 2HD2 ASN 51 -8.930 4.161 -2.292 419 2HD2 ASN 51 1HD2 ASN 51 -10.393 3.920 -3.210 420 H ALA 52 H ALA 52 -4.919 2.366 -4.051 421 HA ALA 52 HA ALA 52 -5.816 3.805 -6.388 422 1HB ALA 52 1HB ALA 52 -3.414 4.501 -6.512 423 2HB ALA 52 2HB ALA 52 -4.087 4.730 -4.891 424 3HB ALA 52 3HB ALA 52 -3.021 3.348 -5.229 425 H LEU 53 H LEU 53 -3.626 1.019 -5.867 426 HA LEU 53 HA LEU 53 -2.978 0.626 -8.614 427 1HB LEU 53 1HB LEU 53 -3.033 -1.250 -6.223 428 2HB LEU 53 2HB LEU 53 -2.409 -1.735 -7.796 429 HG LEU 53 HG LEU 53 -1.298 0.641 -6.233 430 1HD1 LEU 53 1HD1 LEU 53 0.519 -0.909 -5.603 431 2HD1 LEU 53 2HD1 LEU 53 -1.039 -1.369 -4.909 432 3HD1 LEU 53 3HD1 LEU 53 -0.390 -2.268 -6.307 433 1HD2 LEU 53 1HD2 LEU 53 0.017 -1.002 -8.432 434 2HD2 LEU 53 2HD2 LEU 53 -0.744 0.584 -8.694 435 3HD2 LEU 53 3HD2 LEU 53 0.659 0.436 -7.637 436 H GLN 54 H GLN 54 -5.477 -0.932 -6.573 437 HA GLN 54 HA GLN 54 -6.445 -2.572 -8.680 438 1HB GLN 54 1HB GLN 54 -7.854 -1.630 -6.146 439 2HB GLN 54 2HB GLN 54 -8.453 -2.901 -7.212 440 1HG GLN 54 1HG GLN 54 -5.885 -2.986 -5.582 441 2HG GLN 54 2HG GLN 54 -7.368 -3.839 -5.224 442 1HE2 GLN 54 2HE2 GLN 54 -4.665 -4.911 -5.582 443 2HE2 GLN 54 1HE2 GLN 54 -4.770 -6.117 -6.840 444 H SER 55 H SER 55 -7.518 0.672 -7.583 445 HA SER 55 HA SER 55 -9.762 0.825 -9.347 446 1HB SER 55 1HB SER 55 -8.000 3.081 -8.300 447 2HB SER 55 2HB SER 55 -9.605 3.259 -9.037 448 HG SER 55 HG SER 55 -8.865 2.068 -6.593 449 H PHE 56 H PHE 56 -6.285 1.693 -9.839 450 HA PHE 56 HA PHE 56 -6.597 2.616 -12.510 451 1HB PHE 56 1HB PHE 56 -4.559 3.063 -11.338 452 2HB PHE 56 2HB PHE 56 -4.263 1.352 -11.035 453 HD1 PHE 56 HD1 PHE 56 -3.515 -0.169 -12.797 454 HD2 PHE 56 HD2 PHE 56 -4.189 4.023 -13.614 455 HE1 PHE 56 HE1 PHE 56 -2.490 -0.430 -15.038 456 HE2 PHE 56 HE2 PHE 56 -3.273 3.697 -15.886 457 HZ PHE 56 HZ PHE 56 -2.412 1.485 -16.594 458 H VAL 57 H VAL 57 -5.929 -0.754 -11.250 459 HA VAL 57 HA VAL 57 -5.776 -1.930 -13.805 460 HB VAL 57 HB VAL 57 -6.665 -3.068 -11.120 461 1HG1 VAL 57 1HG1 VAL 57 -6.069 -4.596 -13.693 462 2HG1 VAL 57 2HG1 VAL 57 -6.223 -5.327 -12.077 463 3HG1 VAL 57 3HG1 VAL 57 -7.618 -4.547 -12.825 464 1HG2 VAL 57 1HG2 VAL 57 -4.090 -3.528 -12.670 465 2HG2 VAL 57 2HG2 VAL 57 -4.239 -2.298 -11.407 466 3HG2 VAL 57 3HG2 VAL 57 -4.446 -4.004 -10.999 467 H GLU 58 H GLU 58 -8.704 -1.272 -11.782 468 HA GLU 58 HA GLU 58 -10.542 -2.451 -13.600 469 1HB GLU 58 1HB GLU 58 -10.851 -0.201 -11.573 470 2HB GLU 58 2HB GLU 58 -12.204 -0.871 -12.478 471 1HG GLU 58 1HG GLU 58 -10.394 -2.518 -10.662 472 2HG GLU 58 2HG GLU 58 -11.910 -1.788 -10.157 473 H ALA 59 H ALA 59 -9.165 0.827 -13.439 474 HA ALA 59 HA ALA 59 -10.733 2.003 -15.504 475 1HB ALA 59 1HB ALA 59 -9.306 3.256 -13.869 476 2HB ALA 59 2HB ALA 59 -7.862 2.690 -14.723 477 3HB ALA 59 3HB ALA 59 -9.026 3.721 -15.563 478 H VAL 60 H VAL 60 -7.642 0.144 -15.705 479 HA VAL 60 HA VAL 60 -7.428 0.422 -18.578 480 HB VAL 60 HB VAL 60 -6.356 -1.867 -16.845 481 1HG1 VAL 60 1HG1 VAL 60 -6.293 -2.325 -19.276 482 2HG1 VAL 60 2HG1 VAL 60 -5.486 -0.765 -19.542 483 3HG1 VAL 60 3HG1 VAL 60 -4.666 -2.059 -18.637 484 1HG2 VAL 60 1HG2 VAL 60 -4.204 -0.575 -16.895 485 2HG2 VAL 60 2HG2 VAL 60 -5.090 0.833 -17.532 486 3HG2 VAL 60 3HG2 VAL 60 -5.441 0.181 -15.918 487 H LYS 61 H LYS 61 -8.676 -2.230 -16.452 488 HA LYS 61 HA LYS 61 -9.330 -3.994 -18.519 489 1HB LYS 61 1HB LYS 61 -9.037 -4.512 -16.091 490 2HB LYS 61 2HB LYS 61 -10.608 -3.769 -15.754 491 1HG LYS 61 1HG LYS 61 -11.737 -5.470 -17.128 492 2HG LYS 61 2HG LYS 61 -10.171 -6.154 -17.610 493 1HD LYS 61 1HD LYS 61 -9.701 -6.740 -15.245 494 2HD LYS 61 2HD LYS 61 -11.264 -6.043 -14.763 495 1HE LYS 61 1HE LYS 61 -12.433 -7.673 -16.240 496 2HE LYS 61 2HE LYS 61 -10.876 -8.373 -16.700 497 1HZ LYS 61 1HZ LYS 61 -10.555 -9.016 -14.380 498 2HZ LYS 61 2HZ LYS 61 -11.995 -8.366 -13.955 499 3HZ LYS 61 3HZ LYS 61 -11.942 -9.650 -14.954 500 H ASN 62 H ASN 62 -11.351 -1.433 -17.065 501 HA ASN 62 HA ASN 62 -13.816 -2.168 -18.237 502 1HB ASN 62 1HB ASN 62 -13.573 -0.505 -16.420 503 2HB ASN 62 2HB ASN 62 -12.752 0.600 -17.527 504 1HD2 ASN 62 2HD2 ASN 62 -14.099 2.160 -18.400 505 2HD2 ASN 62 1HD2 ASN 62 -15.825 1.964 -18.652 506 H GLY 63 H GLY 63 -10.973 -0.685 -19.765 507 1HA GLY 63 1HA GLY 63 -10.639 0.151 -21.865 508 2HA GLY 63 2HA GLY 63 -12.070 -0.757 -22.393 509 H SER 64 H SER 64 -11.761 1.903 -19.972 510 HA SER 64 HA SER 64 -14.052 3.293 -20.668 511 1HB SER 64 1HB SER 64 -11.537 4.526 -19.503 512 2HB SER 64 2HB SER 64 -13.220 5.006 -19.234 513 HG SER 64 HG SER 64 -12.281 3.720 -17.533 514 HA PRO 65 HA PRO 65 -11.671 6.284 -23.519 515 1HB PRO 65 1HB PRO 65 -9.203 5.769 -24.540 516 2HB PRO 65 2HB PRO 65 -9.441 6.389 -22.883 517 1HG PRO 65 1HG PRO 65 -9.025 3.521 -23.746 518 2HG PRO 65 2HG PRO 65 -8.158 4.415 -22.477 519 1HD PRO 65 1HD PRO 65 -10.267 2.778 -21.960 520 2HD PRO 65 2HD PRO 65 -9.993 4.240 -20.989 521 H PHE 66 H PHE 66 -10.723 6.102 -26.053 522 HA PHE 66 HA PHE 66 -12.500 4.391 -27.535 523 1HB PHE 66 1HB PHE 66 -11.535 6.474 -28.444 524 2HB PHE 66 2HB PHE 66 -9.915 5.798 -28.334 525 HD1 PHE 66 HD1 PHE 66 -13.051 5.852 -30.250 526 HD2 PHE 66 HD2 PHE 66 -9.202 3.934 -29.853 527 HE1 PHE 66 HE1 PHE 66 -13.298 4.880 -32.520 528 HE2 PHE 66 HE2 PHE 66 -9.467 2.956 -32.125 529 HZ PHE 66 HZ PHE 66 -11.508 3.430 -33.460 530 H SER 67 H SER 67 -9.065 4.146 -26.497 531 HA SER 67 HA SER 67 -8.443 1.652 -27.699 532 1HB SER 67 1HB SER 67 -6.840 1.904 -25.458 533 2HB SER 67 2HB SER 67 -6.513 2.554 -27.060 534 HG SER 67 HG SER 67 -6.310 4.242 -25.609 535 H LYS 68 H LYS 68 -8.195 -0.417 -26.610 536 HA LYS 68 HA LYS 68 -9.518 -0.884 -24.109 537 1HB LYS 68 1HB LYS 68 -11.248 -2.513 -25.097 538 2HB LYS 68 2HB LYS 68 -11.602 -0.804 -25.081 539 1HG LYS 68 1HG LYS 68 -12.389 -1.799 -27.104 540 2HG LYS 68 2HG LYS 68 -11.159 -0.595 -27.461 541 1HD LYS 68 1HD LYS 68 -9.517 -2.296 -27.957 542 2HD LYS 68 2HD LYS 68 -10.572 -3.592 -27.385 543 1HE LYS 68 1HE LYS 68 -11.139 -1.756 -29.765 544 2HE LYS 68 2HE LYS 68 -10.418 -3.361 -29.892 545 1HZ LYS 68 1HZ LYS 68 -12.460 -4.293 -28.963 546 2HZ LYS 68 2HZ LYS 68 -13.142 -2.807 -28.866 547 3HZ LYS 68 3HZ LYS 68 -12.776 -3.446 -30.316 548 H VAL 69 H VAL 69 -9.373 -3.131 -23.447 549 HA VAL 69 HA VAL 69 -7.114 -4.516 -24.759 550 HB VAL 69 HB VAL 69 -7.163 -5.951 -22.749 551 1HG1 VAL 69 1HG1 VAL 69 -6.959 -2.955 -22.191 552 2HG1 VAL 69 2HG1 VAL 69 -6.252 -4.251 -21.215 553 3HG1 VAL 69 3HG1 VAL 69 -5.698 -4.000 -22.883 554 1HG2 VAL 69 1HG2 VAL 69 -8.414 -5.339 -20.753 555 2HG2 VAL 69 2HG2 VAL 69 -9.230 -4.015 -21.602 556 3HG2 VAL 69 3HG2 VAL 69 -9.542 -5.707 -22.059 557 H THR 70 H THR 70 -7.318 -6.659 -25.472 558 HA THR 70 HA THR 70 -10.003 -7.932 -25.353 559 HB THR 70 HB THR 70 -9.316 -9.182 -27.424 560 HG1 THR 70 HG1 THR 70 -7.152 -8.855 -27.570 561 1HG2 THR 70 1HG2 THR 70 -10.860 -7.231 -27.534 562 2HG2 THR 70 2HG2 THR 70 -9.470 -6.153 -27.790 563 3HG2 THR 70 3HG2 THR 70 -9.869 -7.398 -28.993 564 H ASP 71 H ASP 71 -6.670 -7.937 -24.396 565 HA ASP 71 HA ASP 71 -7.217 -10.316 -22.792 566 1HB ASP 71 1HB ASP 71 -6.014 -11.300 -24.698 567 2HB ASP 71 2HB ASP 71 -4.772 -10.047 -24.596 568 H ILE 72 H ILE 72 -6.218 -10.109 -20.788 569 HA ILE 72 HA ILE 72 -4.278 -7.990 -20.287 570 HB ILE 72 HB ILE 72 -6.294 -6.723 -20.090 571 1HG1 ILE 72 1HG1 ILE 72 -5.571 -7.441 -17.226 572 2HG1 ILE 72 2HG1 ILE 72 -4.476 -6.562 -18.284 573 1HG2 ILE 72 1HG2 ILE 72 -7.991 -8.496 -19.869 574 2HG2 ILE 72 2HG2 ILE 72 -7.462 -8.801 -18.200 575 3HG2 ILE 72 3HG2 ILE 72 -8.198 -7.251 -18.650 576 1HD1 ILE 72 1HD1 ILE 72 -6.224 -4.780 -18.583 577 2HD1 ILE 72 2HD1 ILE 72 -7.232 -5.625 -17.386 578 3HD1 ILE 72 3HD1 ILE 72 -5.661 -4.961 -16.914 579 H SER 73 H SER 73 -2.910 -8.615 -18.692 580 HA SER 73 HA SER 73 -3.643 -10.854 -16.881 581 1HB SER 73 1HB SER 73 -1.031 -10.562 -18.437 582 2HB SER 73 2HB SER 73 -1.381 -11.788 -17.207 583 HG SER 73 HG SER 73 -2.634 -11.448 -19.740 584 H VAL 74 H VAL 74 -2.807 -10.541 -14.813 585 HA VAL 74 HA VAL 74 -1.318 -8.027 -14.270 586 HB VAL 74 HB VAL 74 -3.904 -8.946 -12.927 587 1HG1 VAL 74 1HG1 VAL 74 -2.204 -6.455 -12.459 588 2HG1 VAL 74 2HG1 VAL 74 -3.829 -6.718 -11.794 589 3HG1 VAL 74 3HG1 VAL 74 -2.505 -7.777 -11.318 590 1HG2 VAL 74 1HG2 VAL 74 -3.463 -6.616 -14.838 591 2HG2 VAL 74 2HG2 VAL 74 -4.472 -8.053 -15.115 592 3HG2 VAL 74 3HG2 VAL 74 -4.931 -6.891 -13.877 593 H THR 75 H THR 75 0.062 -8.200 -12.574 594 HA THR 75 HA THR 75 -0.112 -10.480 -10.695 595 HB THR 75 HB THR 75 2.469 -9.318 -11.851 596 HG1 THR 75 HG1 THR 75 1.395 -10.544 -13.405 597 1HG2 THR 75 1HG2 THR 75 2.791 -10.244 -9.604 598 2HG2 THR 75 2HG2 THR 75 1.967 -11.750 -10.072 599 3HG2 THR 75 3HG2 THR 75 3.531 -11.313 -10.800 600 H GLU 76 H GLU 76 0.465 -9.733 -8.526 601 HA GLU 76 HA GLU 76 1.063 -6.878 -8.238 602 1HB GLU 76 1HB GLU 76 -0.621 -6.625 -6.468 603 2HB GLU 76 2HB GLU 76 -1.314 -6.910 -8.066 604 1HG GLU 76 1HG GLU 76 -1.728 -9.297 -7.454 605 2HG GLU 76 2HG GLU 76 -1.049 -8.988 -5.853 606 H SER 77 H SER 77 2.152 -6.368 -6.338 607 HA SER 77 HA SER 77 3.759 -8.651 -5.297 608 1HB SER 77 1HB SER 77 4.758 -6.328 -6.990 609 2HB SER 77 2HB SER 77 5.702 -7.716 -6.434 610 HG SER 77 HG SER 77 5.088 -7.957 -8.613 611 H ARG 78 H ARG 78 5.631 -7.845 -4.003 612 HA ARG 78 HA ARG 78 5.020 -5.322 -2.512 613 1HB ARG 78 1HB ARG 78 6.012 -8.024 -1.498 614 2HB ARG 78 2HB ARG 78 5.861 -6.584 -0.501 615 1HG ARG 78 1HG ARG 78 3.487 -7.902 -1.909 616 2HG ARG 78 2HG ARG 78 4.011 -8.245 -0.252 617 1HD ARG 78 1HD ARG 78 3.730 -5.791 0.257 618 2HD ARG 78 2HD ARG 78 3.018 -5.601 -1.358 619 HE ARG 78 HE ARG 78 1.587 -7.684 -0.305 620 1HH1 ARG 78 1HH2 ARG 78 2.156 -4.386 0.824 621 2HH1 ARG 78 2HH2 ARG 78 0.887 -4.419 2.013 622 1HH2 ARG 78 1HH1 ARG 78 -0.194 -7.689 1.145 623 2HH2 ARG 78 2HH1 ARG 78 -0.539 -6.307 2.109 624 H SER 79 H SER 79 7.252 -6.630 -4.637 625 HA SER 79 HA SER 79 9.719 -6.174 -3.365 626 1HB SER 79 1HB SER 79 9.133 -5.876 -6.333 627 2HB SER 79 2HB SER 79 10.638 -6.397 -5.560 628 HG SER 79 HG SER 79 9.438 -8.168 -6.375 629 H LEU 80 H LEU 80 7.539 -4.009 -5.110 630 HA LEU 80 HA LEU 80 7.409 -1.805 -5.461 631 1HB LEU 80 1HB LEU 80 9.507 -1.336 -3.324 632 2HB LEU 80 2HB LEU 80 8.402 -0.166 -4.010 633 HG LEU 80 HG LEU 80 7.681 -2.487 -2.198 634 1HD1 LEU 80 1HD1 LEU 80 7.440 0.528 -1.843 635 2HD1 LEU 80 2HD1 LEU 80 6.979 -0.715 -0.657 636 3HD1 LEU 80 3HD1 LEU 80 8.678 -0.512 -1.108 637 1HD2 LEU 80 1HD2 LEU 80 5.844 -2.262 -3.814 638 2HD2 LEU 80 2HD2 LEU 80 5.351 -1.629 -2.251 639 3HD2 LEU 80 3HD2 LEU 80 5.798 -0.504 -3.552 640 H GLU 81 H GLU 81 9.060 0.220 -5.989 641 HA GLU 81 HA GLU 81 11.307 -0.831 -7.616 642 1HB GLU 81 1HB GLU 81 10.352 0.101 -9.686 643 2HB GLU 81 2HB GLU 81 9.374 -1.182 -9.001 644 1HG GLU 81 1HG GLU 81 7.999 0.801 -7.901 645 2HG GLU 81 2HG GLU 81 8.803 1.785 -9.123 646 H GLY 82 H GLY 82 9.865 1.812 -5.853 647 1HA GLY 82 1HA GLY 82 10.952 3.613 -4.985 648 2HA GLY 82 2HA GLY 82 12.434 3.150 -5.838 649 H HIS 83 H HIS 83 9.533 3.485 -7.772 650 HA HIS 83 HA HIS 83 10.626 5.661 -9.326 651 1HB HIS 83 1HB HIS 83 8.107 4.027 -9.328 652 2HB HIS 83 2HB HIS 83 7.973 5.653 -9.963 653 HD1 HIS 83 HD1 HIS 83 8.441 5.861 -12.453 654 HD2 HIS 83 HD2 HIS 83 10.516 2.715 -10.561 655 HE1 HIS 83 HE1 HIS 83 9.818 4.705 -14.264 656 H HIS 84 H HIS 84 9.917 7.794 -9.459 657 HA HIS 84 HA HIS 84 8.149 8.834 -7.289 658 1HB HIS 84 1HB HIS 84 10.697 10.080 -8.398 659 2HB HIS 84 2HB HIS 84 9.566 10.895 -7.328 660 HD1 HIS 84 HD1 HIS 84 9.640 7.656 -5.770 661 HD2 HIS 84 HD2 HIS 84 12.341 10.859 -6.192 662 HE1 HIS 84 HE1 HIS 84 11.304 7.448 -3.849 663 H ARG 85 H ARG 85 8.187 8.165 -10.489 664 HA ARG 85 HA ARG 85 6.114 10.131 -11.008 665 1HB ARG 85 1HB ARG 85 7.014 10.717 -13.240 666 2HB ARG 85 2HB ARG 85 7.959 11.402 -11.933 667 1HG ARG 85 1HG ARG 85 9.834 10.155 -12.400 668 2HG ARG 85 2HG ARG 85 8.937 8.762 -12.985 669 1HD ARG 85 1HD ARG 85 10.243 9.856 -14.755 670 2HD ARG 85 2HD ARG 85 8.536 9.755 -15.123 671 HE ARG 85 HE ARG 85 10.086 12.186 -14.378 672 1HH1 ARG 85 2HH2 ARG 85 6.976 10.861 -15.565 673 2HH1 ARG 85 1HH2 ARG 85 6.449 12.377 -16.203 674 1HH2 ARG 85 1HH1 ARG 85 9.323 14.183 -15.182 675 2HH2 ARG 85 2HH1 ARG 85 7.787 14.299 -15.951 676 H PHE 86 H PHE 86 4.817 9.477 -12.813 677 HA PHE 86 HA PHE 86 4.941 6.681 -13.725 678 1HB PHE 86 1HB PHE 86 3.122 7.548 -15.274 679 2HB PHE 86 2HB PHE 86 2.733 7.501 -13.566 680 HD1 PHE 86 HD1 PHE 86 2.294 9.511 -12.298 681 HD2 PHE 86 HD2 PHE 86 3.552 9.758 -16.420 682 HE1 PHE 86 HE1 PHE 86 1.856 11.956 -12.290 683 HE2 PHE 86 HE2 PHE 86 3.050 12.191 -16.423 684 HZ PHE 86 HZ PHE 86 2.223 13.297 -14.353 685 H SER 87 H SER 87 5.861 6.142 -15.699 686 HA SER 87 HA SER 87 7.355 8.263 -17.186 687 1HB SER 87 1HB SER 87 8.471 5.526 -16.552 688 2HB SER 87 2HB SER 87 9.336 7.020 -16.948 689 HG SER 87 HG SER 87 7.925 6.357 -14.576 690 H ILE 88 H ILE 88 7.898 7.715 -19.399 691 HA ILE 88 HA ILE 88 6.251 5.510 -20.553 692 HB ILE 88 HB ILE 88 6.511 8.335 -21.680 693 1HG1 ILE 88 1HG1 ILE 88 4.153 6.992 -20.289 694 2HG1 ILE 88 2HG1 ILE 88 5.074 8.365 -19.666 695 1HG2 ILE 88 1HG2 ILE 88 4.870 7.529 -23.335 696 2HG2 ILE 88 2HG2 ILE 88 6.267 6.464 -23.343 697 3HG2 ILE 88 3HG2 ILE 88 4.787 5.962 -22.493 698 1HD1 ILE 88 1HD1 ILE 88 4.291 9.720 -21.636 699 2HD1 ILE 88 2HD1 ILE 88 3.198 8.372 -22.052 700 3HD1 ILE 88 3HD1 ILE 88 3.019 9.211 -20.508 701 H VAL 89 H VAL 89 7.686 4.099 -21.319 702 HA VAL 89 HA VAL 89 10.377 4.853 -22.139 703 HB VAL 89 HB VAL 89 8.806 2.275 -22.558 704 1HG1 VAL 89 1HG1 VAL 89 10.764 2.399 -24.054 705 2HG1 VAL 89 2HG1 VAL 89 11.812 2.805 -22.676 706 3HG1 VAL 89 3HG1 VAL 89 11.035 1.210 -22.784 707 1HG2 VAL 89 1HG2 VAL 89 10.129 1.426 -20.588 708 2HG2 VAL 89 2HG2 VAL 89 10.739 3.072 -20.324 709 3HG2 VAL 89 3HG2 VAL 89 9.009 2.711 -20.143 710 H TYR 90 H TYR 90 11.072 5.119 -24.266 711 HA TYR 90 HA TYR 90 9.055 6.010 -26.162 712 1HB TYR 90 1HB TYR 90 12.091 5.989 -26.349 713 2HB TYR 90 2HB TYR 90 10.987 6.866 -27.403 714 HD1 TYR 90 HD1 TYR 90 9.338 8.569 -26.243 715 HD2 TYR 90 HD2 TYR 90 12.991 7.115 -24.456 716 HE1 TYR 90 HE1 TYR 90 9.355 10.510 -24.706 717 HE2 TYR 90 HE2 TYR 90 13.016 9.049 -22.918 718 HH TYR 90 HH TYR 90 11.936 11.003 -22.248 719 H SER 91 H SER 91 8.904 3.186 -25.693 720 HA SER 91 HA SER 91 10.153 1.500 -27.521 721 1HB SER 91 1HB SER 91 7.226 1.313 -26.777 722 2HB SER 91 2HB SER 91 8.373 0.004 -27.073 723 HG SER 91 HG SER 91 9.387 0.512 -25.110 Start of MODEL 11 1 1H MET 1 1H MET 1 3.155 -0.306 1.879 2 2H MET 1 2H MET 1 1.824 0.621 2.151 3 3H MET 1 3H MET 1 1.678 -0.992 1.889 4 HA MET 1 HA MET 1 1.005 0.185 -0.057 5 1HB MET 1 1HB MET 1 3.520 1.679 0.462 6 2HB MET 1 2HB MET 1 3.313 1.174 -1.209 7 1HG MET 1 1HG MET 1 0.997 2.128 -1.180 8 2HG MET 1 2HG MET 1 1.316 2.771 0.426 9 1HE MET 1 1HE MET 1 2.736 2.464 -3.113 10 2HE MET 1 2HE MET 1 3.375 4.084 -3.510 11 3HE MET 1 3HE MET 1 4.293 2.988 -2.457 12 H LEU 2 H LEU 2 2.062 -0.317 -2.427 13 HA LEU 2 HA LEU 2 3.050 -3.093 -2.414 14 1HB LEU 2 1HB LEU 2 0.315 -2.295 -2.198 15 2HB LEU 2 2HB LEU 2 0.570 -2.570 -3.891 16 HG LEU 2 HG LEU 2 1.637 -4.839 -3.171 17 1HD1 LEU 2 1HD1 LEU 2 0.062 -4.105 -0.670 18 2HD1 LEU 2 2HD1 LEU 2 0.585 -5.742 -1.084 19 3HD1 LEU 2 3HD1 LEU 2 1.797 -4.488 -0.771 20 1HD2 LEU 2 1HD2 LEU 2 -0.581 -5.919 -3.201 21 2HD2 LEU 2 2HD2 LEU 2 -1.354 -4.350 -2.883 22 3HD2 LEU 2 3HD2 LEU 2 -0.485 -4.630 -4.408 23 H GLN 3 H GLN 3 2.676 -3.838 -4.899 24 HA GLN 3 HA GLN 3 2.990 -1.697 -6.875 25 1HB GLN 3 1HB GLN 3 5.272 -2.076 -6.389 26 2HB GLN 3 2HB GLN 3 5.034 -3.814 -6.130 27 1HG GLN 3 1HG GLN 3 4.826 -4.236 -8.485 28 2HG GLN 3 2HG GLN 3 4.859 -2.505 -8.851 29 1HE2 GLN 3 2HE2 GLN 3 7.202 -3.195 -6.380 30 2HE2 GLN 3 1HE2 GLN 3 8.566 -3.149 -7.496 31 H TYR 4 H TYR 4 2.485 -2.420 -9.019 32 HA TYR 4 HA TYR 4 1.445 -5.193 -9.242 33 1HB TYR 4 1HB TYR 4 -0.096 -4.588 -10.958 34 2HB TYR 4 2HB TYR 4 -0.440 -3.712 -9.493 35 HD1 TYR 4 HD1 TYR 4 1.845 -2.867 -12.501 36 HD2 TYR 4 HD2 TYR 4 -1.657 -1.854 -10.200 37 HE1 TYR 4 HE1 TYR 4 1.750 -0.701 -13.607 38 HE2 TYR 4 HE2 TYR 4 -1.770 0.311 -11.343 39 HH TYR 4 HH TYR 4 -0.757 1.728 -12.938 40 H ARG 5 H ARG 5 1.669 -6.088 -11.386 41 HA ARG 5 HA ARG 5 3.290 -4.615 -13.347 42 1HB ARG 5 1HB ARG 5 4.865 -6.322 -12.462 43 2HB ARG 5 2HB ARG 5 3.635 -7.568 -12.690 44 1HG ARG 5 1HG ARG 5 3.700 -7.030 -15.203 45 2HG ARG 5 2HG ARG 5 5.077 -5.976 -14.852 46 1HD ARG 5 1HD ARG 5 5.858 -8.134 -15.632 47 2HD ARG 5 2HD ARG 5 6.303 -7.950 -13.925 48 HE ARG 5 HE ARG 5 3.851 -9.254 -13.863 49 1HH1 ARG 5 1HH2 ARG 5 6.982 -10.012 -15.363 50 2HH1 ARG 5 2HH2 ARG 5 6.761 -11.719 -15.255 51 1HH2 ARG 5 1HH1 ARG 5 3.565 -11.435 -13.686 52 2HH2 ARG 5 2HH1 ARG 5 4.743 -12.570 -14.283 53 H ILE 6 H ILE 6 2.118 -4.753 -15.335 54 HA ILE 6 HA ILE 6 -0.224 -6.593 -15.446 55 HB ILE 6 HB ILE 6 -0.222 -3.589 -15.944 56 1HG1 ILE 6 1HG1 ILE 6 -1.894 -5.136 -13.936 57 2HG1 ILE 6 2HG1 ILE 6 -0.399 -4.312 -13.512 58 1HG2 ILE 6 1HG2 ILE 6 -1.613 -4.651 -17.632 59 2HG2 ILE 6 2HG2 ILE 6 -2.465 -5.606 -16.397 60 3HG2 ILE 6 3HG2 ILE 6 -2.657 -3.844 -16.491 61 1HD1 ILE 6 1HD1 ILE 6 -2.918 -2.965 -14.520 62 2HD1 ILE 6 2HD1 ILE 6 -2.216 -2.918 -12.902 63 3HD1 ILE 6 3HD1 ILE 6 -1.347 -2.161 -14.250 64 H ILE 7 H ILE 7 -0.684 -7.233 -17.582 65 HA ILE 7 HA ILE 7 0.718 -5.851 -19.750 66 HB ILE 7 HB ILE 7 0.352 -8.387 -20.760 67 1HG1 ILE 7 1HG1 ILE 7 0.213 -9.265 -18.341 68 2HG1 ILE 7 2HG1 ILE 7 1.167 -10.109 -19.545 69 1HG2 ILE 7 1HG2 ILE 7 2.153 -6.831 -21.307 70 2HG2 ILE 7 2HG2 ILE 7 2.961 -7.197 -19.793 71 3HG2 ILE 7 3HG2 ILE 7 2.774 -8.463 -21.023 72 1HD1 ILE 7 1HD1 ILE 7 3.230 -9.308 -18.676 73 2HD1 ILE 7 2HD1 ILE 7 2.429 -8.149 -17.597 74 3HD1 ILE 7 3HD1 ILE 7 2.278 -9.902 -17.302 75 H VAL 8 H VAL 8 -0.588 -5.572 -21.544 76 HA VAL 8 HA VAL 8 -3.298 -6.755 -21.526 77 HB VAL 8 HB VAL 8 -4.208 -4.515 -22.184 78 1HG1 VAL 8 1HG1 VAL 8 -4.505 -3.696 -19.929 79 2HG1 VAL 8 2HG1 VAL 8 -4.541 -5.459 -19.963 80 3HG1 VAL 8 3HG1 VAL 8 -3.098 -4.616 -19.363 81 1HG2 VAL 8 1HG2 VAL 8 -1.611 -3.375 -21.062 82 2HG2 VAL 8 2HG2 VAL 8 -2.171 -3.311 -22.751 83 3HG2 VAL 8 3HG2 VAL 8 -3.069 -2.456 -21.496 84 H ASP 9 H ASP 9 -4.255 -6.866 -23.575 85 HA ASP 9 HA ASP 9 -2.779 -5.905 -25.928 86 1HB ASP 9 1HB ASP 9 -1.942 -8.201 -25.697 87 2HB ASP 9 2HB ASP 9 -3.590 -8.811 -25.502 88 H GLY 10 H GLY 10 -4.274 -5.597 -27.705 89 1HA GLY 10 1HA GLY 10 -6.850 -6.027 -28.186 90 2HA GLY 10 2HA GLY 10 -6.967 -4.992 -26.743 91 H ARG 11 H ARG 11 -7.821 -3.251 -27.992 92 HA ARG 11 HA ARG 11 -5.952 -1.887 -29.835 93 1HB ARG 11 1HB ARG 11 -8.438 -1.871 -30.300 94 2HB ARG 11 2HB ARG 11 -8.673 -0.933 -28.818 95 1HG ARG 11 1HG ARG 11 -7.192 0.862 -29.754 96 2HG ARG 11 2HG ARG 11 -7.006 -0.078 -31.238 97 1HD ARG 11 1HD ARG 11 -9.646 0.956 -30.116 98 2HD ARG 11 2HD ARG 11 -8.703 1.753 -31.386 99 HE ARG 11 HE ARG 11 -9.054 -0.784 -32.371 100 1HH1 ARG 11 1HH2 ARG 11 -11.266 1.783 -31.312 101 2HH1 ARG 11 2HH2 ARG 11 -12.549 1.307 -32.360 102 1HH2 ARG 11 1HH1 ARG 11 -10.769 -1.430 -33.762 103 2HH2 ARG 11 2HH1 ARG 11 -12.252 -0.557 -33.788 104 H VAL 12 H VAL 12 -4.472 -2.225 -27.876 105 HA VAL 12 HA VAL 12 -4.946 -0.420 -25.604 106 HB VAL 12 HB VAL 12 -2.917 -1.536 -24.674 107 1HG1 VAL 12 1HG1 VAL 12 -4.024 -3.724 -24.335 108 2HG1 VAL 12 2HG1 VAL 12 -5.140 -2.356 -24.172 109 3HG1 VAL 12 3HG1 VAL 12 -5.169 -3.355 -25.631 110 1HG2 VAL 12 1HG2 VAL 12 -1.787 -2.155 -26.836 111 2HG2 VAL 12 2HG2 VAL 12 -1.953 -3.505 -25.706 112 3HG2 VAL 12 3HG2 VAL 12 -3.034 -3.389 -27.103 113 H GLN 13 H GLN 13 -4.038 0.370 -28.558 114 HA GLN 13 HA GLN 13 -2.430 2.589 -27.636 115 1HB GLN 13 1HB GLN 13 -0.934 0.438 -28.502 116 2HB GLN 13 2HB GLN 13 -1.304 1.183 -30.047 117 1HG GLN 13 1HG GLN 13 0.612 2.309 -29.606 118 2HG GLN 13 2HG GLN 13 -0.462 3.403 -28.748 119 1HE2 GLN 13 2HE2 GLN 13 -0.838 1.639 -26.295 120 2HE2 GLN 13 1HE2 GLN 13 0.720 1.654 -25.524 121 H GLY 14 H GLY 14 -2.316 4.240 -29.436 122 1HA GLY 14 1HA GLY 14 -3.651 4.432 -31.798 123 2HA GLY 14 2HA GLY 14 -4.945 4.521 -30.585 124 H VAL 15 H VAL 15 -5.183 6.875 -31.219 125 HA VAL 15 HA VAL 15 -3.060 8.709 -31.004 126 HB VAL 15 HB VAL 15 -4.826 10.450 -30.871 127 1HG1 VAL 15 1HG1 VAL 15 -5.328 8.308 -32.985 128 2HG1 VAL 15 2HG1 VAL 15 -5.745 10.029 -33.092 129 3HG1 VAL 15 3HG1 VAL 15 -4.047 9.537 -33.031 130 1HG2 VAL 15 1HG2 VAL 15 -7.182 9.882 -31.045 131 2HG2 VAL 15 2HG2 VAL 15 -6.832 8.150 -30.949 132 3HG2 VAL 15 3HG2 VAL 15 -6.542 9.203 -29.545 133 H GLY 16 H GLY 16 -4.955 7.303 -28.354 134 1HA GLY 16 1HA GLY 16 -4.070 9.216 -26.357 135 2HA GLY 16 2HA GLY 16 -4.806 7.637 -26.077 136 H PHE 17 H PHE 17 -2.380 6.949 -28.094 137 HA PHE 17 HA PHE 17 -0.664 5.459 -27.635 138 1HB PHE 17 1HB PHE 17 -0.281 7.613 -28.969 139 2HB PHE 17 2HB PHE 17 0.644 8.185 -27.598 140 HD1 PHE 17 HD1 PHE 17 2.913 7.279 -27.202 141 HD2 PHE 17 HD2 PHE 17 0.358 5.556 -30.223 142 HE1 PHE 17 HE1 PHE 17 4.818 5.938 -28.052 143 HE2 PHE 17 HE2 PHE 17 2.271 4.218 -31.071 144 HZ PHE 17 HZ PHE 17 4.502 4.402 -29.986 145 H ARG 18 H ARG 18 -1.458 4.937 -25.338 146 HA ARG 18 HA ARG 18 -1.218 4.627 -23.174 147 1HB ARG 18 1HB ARG 18 0.991 3.782 -22.392 148 2HB ARG 18 2HB ARG 18 0.295 3.012 -23.804 149 1HG ARG 18 1HG ARG 18 1.800 4.281 -25.280 150 2HG ARG 18 2HG ARG 18 2.533 5.086 -23.886 151 1HD ARG 18 1HD ARG 18 3.731 3.193 -23.289 152 2HD ARG 18 2HD ARG 18 2.488 2.084 -23.869 153 HE ARG 18 HE ARG 18 3.139 2.773 -26.196 154 1HH1 ARG 18 1HH1 ARG 18 5.648 2.830 -23.631 155 2HH1 ARG 18 2HH1 ARG 18 6.853 2.157 -24.703 156 1HH2 ARG 18 1HH2 ARG 18 4.803 2.183 -27.559 157 2HH2 ARG 18 2HH2 ARG 18 6.393 1.824 -26.933 158 H TYR 19 H TYR 19 -0.284 7.627 -24.103 159 HA TYR 19 HA TYR 19 0.502 8.730 -21.566 160 1HB TYR 19 1HB TYR 19 0.500 10.003 -23.709 161 2HB TYR 19 2HB TYR 19 -1.256 9.874 -23.781 162 HD1 TYR 19 HD1 TYR 19 -2.672 11.372 -22.523 163 HD2 TYR 19 HD2 TYR 19 1.587 11.296 -21.809 164 HE1 TYR 19 HE1 TYR 19 -2.866 13.425 -21.154 165 HE2 TYR 19 HE2 TYR 19 1.398 13.334 -20.421 166 HH TYR 19 HH TYR 19 -0.034 14.961 -19.556 167 H PHE 20 H PHE 20 -2.633 7.707 -23.050 168 HA PHE 20 HA PHE 20 -4.271 8.597 -20.983 169 1HB PHE 20 1HB PHE 20 -5.957 7.278 -21.837 170 2HB PHE 20 2HB PHE 20 -4.929 7.470 -23.231 171 HD1 PHE 20 HD1 PHE 20 -3.824 5.514 -24.239 172 HD2 PHE 20 HD2 PHE 20 -6.054 5.099 -20.566 173 HE1 PHE 20 HE1 PHE 20 -3.729 3.038 -24.441 174 HE2 PHE 20 HE2 PHE 20 -5.965 2.630 -20.774 175 HZ PHE 20 HZ PHE 20 -4.780 1.601 -22.712 176 H VAL 21 H VAL 21 -2.368 5.587 -21.076 177 HA VAL 21 HA VAL 21 -3.377 4.415 -18.720 178 HB VAL 21 HB VAL 21 -0.543 4.267 -19.864 179 1HG1 VAL 21 1HG1 VAL 21 -0.691 3.387 -17.588 180 2HG1 VAL 21 2HG1 VAL 21 -2.067 2.361 -18.077 181 3HG1 VAL 21 3HG1 VAL 21 -0.445 2.080 -18.753 182 1HG2 VAL 21 1HG2 VAL 21 -2.952 2.468 -20.387 183 2HG2 VAL 21 2HG2 VAL 21 -2.272 3.610 -21.553 184 3HG2 VAL 21 3HG2 VAL 21 -1.312 2.228 -21.025 185 H GLN 22 H GLN 22 -0.717 6.814 -19.229 186 HA GLN 22 HA GLN 22 -0.251 6.898 -16.365 187 1HB GLN 22 1HB GLN 22 0.916 8.670 -18.510 188 2HB GLN 22 2HB GLN 22 1.488 8.467 -16.853 189 1HG GLN 22 1HG GLN 22 1.590 6.413 -19.097 190 2HG GLN 22 2HG GLN 22 2.931 7.245 -18.342 191 1HE2 GLN 22 2HE2 GLN 22 4.126 5.479 -17.504 192 2HE2 GLN 22 1HE2 GLN 22 3.426 4.346 -16.348 193 H MET 23 H MET 23 -2.462 8.566 -18.428 194 HA MET 23 HA MET 23 -2.968 10.760 -16.557 195 1HB MET 23 1HB MET 23 -4.955 9.369 -18.403 196 2HB MET 23 2HB MET 23 -5.233 10.835 -17.481 197 1HG MET 23 1HG MET 23 -3.322 11.896 -18.773 198 2HG MET 23 2HG MET 23 -3.384 10.501 -19.850 199 1HE MET 23 1HE MET 23 -6.424 9.752 -19.984 200 2HE MET 23 2HE MET 23 -7.185 10.839 -21.165 201 3HE MET 23 3HE MET 23 -5.661 10.044 -21.575 202 H GLU 24 H GLU 24 -4.344 7.448 -17.025 203 HA GLU 24 HA GLU 24 -5.952 7.586 -14.667 204 1HB GLU 24 1HB GLU 24 -4.999 5.171 -16.261 205 2HB GLU 24 2HB GLU 24 -6.287 5.170 -15.055 206 1HG GLU 24 1HG GLU 24 -6.294 6.695 -17.706 207 2HG GLU 24 2HG GLU 24 -7.241 5.269 -17.309 208 H ALA 25 H ALA 25 -2.556 6.725 -15.140 209 HA ALA 25 HA ALA 25 -2.151 5.658 -12.491 210 1HB ALA 25 1HB ALA 25 -0.190 7.203 -14.238 211 2HB ALA 25 2HB ALA 25 0.210 6.151 -12.884 212 3HB ALA 25 3HB ALA 25 -0.494 5.449 -14.354 213 H ASP 26 H ASP 26 -1.755 8.983 -13.880 214 HA ASP 26 HA ASP 26 -1.060 10.273 -11.469 215 1HB ASP 26 1HB ASP 26 -0.747 11.328 -13.641 216 2HB ASP 26 2HB ASP 26 -2.483 11.338 -13.937 217 H LYS 27 H LYS 27 -4.314 9.697 -12.907 218 HA LYS 27 HA LYS 27 -5.668 11.174 -10.911 219 1HB LYS 27 1HB LYS 27 -7.638 10.572 -11.915 220 2HB LYS 27 2HB LYS 27 -6.481 10.430 -13.220 221 1HG LYS 27 1HG LYS 27 -7.630 8.539 -13.619 222 2HG LYS 27 2HG LYS 27 -6.457 7.870 -12.473 223 1HD LYS 27 1HD LYS 27 -8.135 8.186 -10.666 224 2HD LYS 27 2HD LYS 27 -9.296 8.754 -11.858 225 1HE LYS 27 1HE LYS 27 -7.956 6.031 -12.112 226 2HE LYS 27 2HE LYS 27 -9.320 6.268 -11.011 227 1HZ LYS 27 1HZ LYS 27 -9.381 6.656 -13.948 228 2HZ LYS 27 2HZ LYS 27 -10.161 5.520 -13.082 229 3HZ LYS 27 3HZ LYS 27 -10.615 7.077 -12.941 230 H ARG 28 H ARG 28 -4.083 8.173 -10.580 231 HA ARG 28 HA ARG 28 -5.331 7.767 -7.888 232 1HB ARG 28 1HB ARG 28 -4.075 5.752 -9.805 233 2HB ARG 28 2HB ARG 28 -4.550 5.381 -8.157 234 1HG ARG 28 1HG ARG 28 -6.458 6.148 -10.387 235 2HG ARG 28 2HG ARG 28 -6.111 4.524 -9.817 236 1HD ARG 28 1HD ARG 28 -8.167 5.101 -8.825 237 2HD ARG 28 2HD ARG 28 -6.963 5.185 -7.528 238 HE ARG 28 HE ARG 28 -7.191 7.765 -8.659 239 1HH1 ARG 28 1HH2 ARG 28 -9.265 5.592 -6.749 240 2HH1 ARG 28 2HH2 ARG 28 -10.147 6.887 -6.029 241 1HH2 ARG 28 1HH1 ARG 28 -8.303 9.420 -7.744 242 2HH2 ARG 28 2HH1 ARG 28 -9.587 9.145 -6.615 243 H LYS 29 H LYS 29 -2.893 9.369 -9.106 244 HA LYS 29 HA LYS 29 -0.699 9.692 -8.780 245 1HB LYS 29 1HB LYS 29 -1.653 9.485 -5.900 246 2HB LYS 29 2HB LYS 29 -0.153 10.260 -6.407 247 1HG LYS 29 1HG LYS 29 -2.935 11.155 -7.282 248 2HG LYS 29 2HG LYS 29 -2.000 11.868 -5.970 249 1HD LYS 29 1HD LYS 29 -0.256 12.609 -7.501 250 2HD LYS 29 2HD LYS 29 -1.033 11.784 -8.865 251 1HE LYS 29 1HE LYS 29 -3.045 13.189 -8.592 252 2HE LYS 29 2HE LYS 29 -2.252 14.073 -7.275 253 1HZ LYS 29 1HZ LYS 29 -0.569 14.786 -8.870 254 2HZ LYS 29 2HZ LYS 29 -1.276 13.924 -10.079 255 3HZ LYS 29 3HZ LYS 29 -2.049 15.209 -9.414 256 H LEU 30 H LEU 30 -0.975 7.130 -9.543 257 HA LEU 30 HA LEU 30 0.816 5.410 -7.957 258 1HB LEU 30 1HB LEU 30 -0.202 5.258 -10.828 259 2HB LEU 30 2HB LEU 30 0.792 4.031 -10.045 260 HG LEU 30 HG LEU 30 -2.048 4.824 -9.288 261 1HD1 LEU 30 1HD1 LEU 30 -1.844 3.478 -11.326 262 2HD1 LEU 30 2HD1 LEU 30 -0.842 2.294 -10.465 263 3HD1 LEU 30 3HD1 LEU 30 -2.550 2.516 -10.014 264 1HD2 LEU 30 1HD2 LEU 30 -1.925 2.837 -7.737 265 2HD2 LEU 30 2HD2 LEU 30 -0.171 2.813 -8.007 266 3HD2 LEU 30 3HD2 LEU 30 -0.945 4.214 -7.222 267 H ALA 31 H ALA 31 2.932 4.727 -8.920 268 HA ALA 31 HA ALA 31 4.238 6.742 -10.666 269 1HB ALA 31 1HB ALA 31 6.173 6.756 -9.096 270 2HB ALA 31 2HB ALA 31 4.721 7.487 -8.372 271 3HB ALA 31 3HB ALA 31 5.221 5.840 -7.917 272 H GLY 32 H GLY 32 5.665 5.724 -12.113 273 1HA GLY 32 1HA GLY 32 6.769 3.154 -12.052 274 2HA GLY 32 2HA GLY 32 5.041 2.957 -12.383 275 H TRP 33 H TRP 33 5.849 2.030 -14.470 276 HA TRP 33 HA TRP 33 5.981 4.202 -16.440 277 1HB TRP 33 1HB TRP 33 7.679 3.040 -17.786 278 2HB TRP 33 2HB TRP 33 8.259 3.648 -16.261 279 HD1 TRP 33 HD1 TRP 33 9.844 2.195 -15.101 280 HE1 TRP 33 HE1 TRP 33 10.476 -0.257 -15.036 281 HE3 TRP 33 HE3 TRP 33 6.232 0.263 -18.229 282 HZ2 TRP 33 HZ2 TRP 33 9.438 -2.778 -15.973 283 HZ3 TRP 33 HZ3 TRP 33 6.043 -2.160 -18.543 284 HH2 TRP 33 HH2 TRP 33 7.618 -3.709 -17.399 285 H VAL 34 H VAL 34 5.601 3.485 -18.646 286 HA VAL 34 HA VAL 34 4.133 0.916 -18.948 287 HB VAL 34 HB VAL 34 2.433 2.627 -18.641 288 1HG1 VAL 34 1HG1 VAL 34 3.630 4.591 -19.594 289 2HG1 VAL 34 2HG1 VAL 34 3.435 3.903 -21.206 290 3HG1 VAL 34 3HG1 VAL 34 2.007 4.371 -20.267 291 1HG2 VAL 34 1HG2 VAL 34 1.074 2.035 -20.569 292 2HG2 VAL 34 2HG2 VAL 34 2.508 1.576 -21.500 293 3HG2 VAL 34 3HG2 VAL 34 2.043 0.636 -20.079 294 H LYS 35 H LYS 35 4.440 -0.103 -20.904 295 HA LYS 35 HA LYS 35 6.632 0.889 -22.680 296 1HB LYS 35 1HB LYS 35 7.468 -0.257 -20.614 297 2HB LYS 35 2HB LYS 35 6.474 -1.656 -21.028 298 1HG LYS 35 1HG LYS 35 7.864 -2.039 -23.053 299 2HG LYS 35 2HG LYS 35 8.795 -0.581 -22.687 300 1HD LYS 35 1HD LYS 35 10.040 -2.536 -21.954 301 2HD LYS 35 2HD LYS 35 9.533 -1.609 -20.527 302 1HE LYS 35 1HE LYS 35 7.611 -3.148 -20.209 303 2HE LYS 35 2HE LYS 35 8.073 -4.055 -21.649 304 1HZ LYS 35 1HZ LYS 35 10.057 -4.773 -20.516 305 2HZ LYS 35 2HZ LYS 35 9.760 -3.801 -19.225 306 3HZ LYS 35 3HZ LYS 35 8.748 -5.051 -19.548 307 H ASN 36 H ASN 36 6.733 -0.453 -24.681 308 HA ASN 36 HA ASN 36 4.420 -2.335 -25.040 309 1HB ASN 36 1HB ASN 36 4.055 -0.364 -26.465 310 2HB ASN 36 2HB ASN 36 5.658 -0.592 -27.188 311 1HD2 ASN 36 2HD2 ASN 36 2.577 -2.432 -26.578 312 2HD2 ASN 36 1HD2 ASN 36 2.671 -3.384 -28.023 313 H ARG 37 H ARG 37 5.041 -4.353 -25.375 314 HA ARG 37 HA ARG 37 7.886 -5.062 -25.393 315 1HB ARG 37 1HB ARG 37 5.247 -6.587 -25.371 316 2HB ARG 37 2HB ARG 37 6.811 -7.404 -25.358 317 1HG ARG 37 1HG ARG 37 7.316 -6.775 -23.183 318 2HG ARG 37 2HG ARG 37 6.289 -5.339 -23.221 319 1HD ARG 37 1HD ARG 37 5.359 -7.070 -21.771 320 2HD ARG 37 2HD ARG 37 4.277 -6.639 -23.083 321 HE ARG 37 HE ARG 37 4.940 -8.696 -24.254 322 1HH1 ARG 37 1HH2 ARG 37 5.547 -8.628 -20.682 323 2HH1 ARG 37 2HH2 ARG 37 5.439 -10.346 -20.557 324 1HH2 ARG 37 1HH1 ARG 37 4.685 -10.908 -23.990 325 2HH2 ARG 37 2HH1 ARG 37 4.956 -11.670 -22.450 326 H ASP 38 H ASP 38 8.815 -6.471 -26.998 327 HA ASP 38 HA ASP 38 8.237 -5.897 -29.720 328 1HB ASP 38 1HB ASP 38 10.435 -6.640 -28.952 329 2HB ASP 38 2HB ASP 38 9.767 -8.194 -28.441 330 H ASP 39 H ASP 39 7.020 -8.428 -27.542 331 HA ASP 39 HA ASP 39 5.808 -10.005 -29.640 332 1HB ASP 39 1HB ASP 39 5.108 -11.455 -28.036 333 2HB ASP 39 2HB ASP 39 6.559 -10.800 -27.296 334 H GLY 40 H GLY 40 4.983 -6.977 -28.439 335 1HA GLY 40 1HA GLY 40 3.345 -5.779 -29.609 336 2HA GLY 40 2HA GLY 40 2.314 -7.210 -29.702 337 H ARG 41 H ARG 41 2.962 -7.652 -26.645 338 HA ARG 41 HA ARG 41 0.538 -6.400 -25.669 339 1HB ARG 41 1HB ARG 41 2.842 -7.957 -24.500 340 2HB ARG 41 2HB ARG 41 1.859 -7.006 -23.399 341 1HG ARG 41 1HG ARG 41 -0.059 -8.218 -23.754 342 2HG ARG 41 2HG ARG 41 0.518 -8.911 -25.299 343 1HD ARG 41 1HD ARG 41 2.265 -10.152 -23.942 344 2HD ARG 41 2HD ARG 41 1.424 -9.635 -22.480 345 HE ARG 41 HE ARG 41 0.753 -11.774 -24.240 346 1HH1 ARG 41 1HH2 ARG 41 -0.979 -9.317 -22.265 347 2HH1 ARG 41 2HH2 ARG 41 -2.402 -10.344 -22.155 348 1HH2 ARG 41 1HH1 ARG 41 -1.213 -13.007 -23.973 349 2HH2 ARG 41 2HH1 ARG 41 -2.520 -12.280 -23.055 350 H VAL 42 H VAL 42 0.268 -4.653 -24.299 351 HA VAL 42 HA VAL 42 2.587 -2.805 -23.947 352 HB VAL 42 HB VAL 42 -0.411 -2.468 -23.608 353 1HG1 VAL 42 1HG1 VAL 42 0.035 -0.175 -22.768 354 2HG1 VAL 42 2HG1 VAL 42 0.611 -1.403 -21.635 355 3HG1 VAL 42 3HG1 VAL 42 1.772 -0.553 -22.671 356 1HG2 VAL 42 1HG2 VAL 42 1.698 -0.948 -25.205 357 2HG2 VAL 42 2HG2 VAL 42 0.543 -2.132 -25.870 358 3HG2 VAL 42 3HG2 VAL 42 -0.058 -0.624 -25.185 359 H GLU 43 H GLU 43 3.329 -2.470 -21.841 360 HA GLU 43 HA GLU 43 2.383 -4.355 -19.759 361 1HB GLU 43 1HB GLU 43 4.330 -5.277 -21.002 362 2HB GLU 43 2HB GLU 43 5.272 -3.846 -20.574 363 1HG GLU 43 1HG GLU 43 5.163 -4.426 -18.206 364 2HG GLU 43 2HG GLU 43 4.025 -5.732 -18.521 365 H ILE 44 H ILE 44 2.615 -3.500 -17.657 366 HA ILE 44 HA ILE 44 3.374 -0.643 -17.427 367 HB ILE 44 HB ILE 44 0.938 -1.751 -16.075 368 1HG1 ILE 44 1HG1 ILE 44 0.741 -0.784 -18.951 369 2HG1 ILE 44 2HG1 ILE 44 0.443 -2.428 -18.384 370 1HG2 ILE 44 1HG2 ILE 44 1.963 0.546 -15.636 371 2HG2 ILE 44 2HG2 ILE 44 1.406 1.014 -17.249 372 3HG2 ILE 44 3HG2 ILE 44 0.248 0.530 -15.989 373 1HD1 ILE 44 1HD1 ILE 44 -1.659 -1.360 -18.744 374 2HD1 ILE 44 2HD1 ILE 44 -1.447 -1.628 -17.003 375 3HD1 ILE 44 3HD1 ILE 44 -1.235 -0.002 -17.694 376 H LEU 45 H LEU 45 4.222 -0.180 -15.322 377 HA LEU 45 HA LEU 45 4.047 -2.277 -13.226 378 1HB LEU 45 1HB LEU 45 5.943 -2.957 -14.596 379 2HB LEU 45 2HB LEU 45 6.653 -1.350 -14.514 380 HG LEU 45 HG LEU 45 6.096 -2.775 -11.914 381 1HD1 LEU 45 1HD1 LEU 45 7.094 -4.540 -13.304 382 2HD1 LEU 45 2HD1 LEU 45 8.434 -3.460 -13.750 383 3HD1 LEU 45 3HD1 LEU 45 8.237 -4.001 -12.068 384 1HD2 LEU 45 1HD2 LEU 45 8.278 -1.708 -11.295 385 2HD2 LEU 45 2HD2 LEU 45 8.388 -1.009 -12.920 386 3HD2 LEU 45 3HD2 LEU 45 7.096 -0.511 -11.813 387 H ALA 46 H ALA 46 3.703 -1.177 -11.281 388 HA ALA 46 HA ALA 46 4.903 1.444 -10.850 389 1HB ALA 46 1HB ALA 46 1.863 1.151 -10.954 390 2HB ALA 46 2HB ALA 46 2.755 2.622 -10.574 391 3HB ALA 46 3HB ALA 46 2.823 1.961 -12.219 392 H GLU 47 H GLU 47 4.615 2.205 -8.707 393 HA GLU 47 HA GLU 47 3.735 0.187 -6.716 394 1HB GLU 47 1HB GLU 47 4.912 1.478 -5.041 395 2HB GLU 47 2HB GLU 47 5.997 0.980 -6.331 396 1HG GLU 47 1HG GLU 47 5.965 3.243 -7.295 397 2HG GLU 47 2HG GLU 47 4.760 3.766 -6.111 398 H GLY 48 H GLY 48 2.274 0.868 -5.042 399 1HA GLY 48 1HA GLY 48 1.112 3.406 -4.726 400 2HA GLY 48 2HA GLY 48 0.078 2.487 -5.829 401 HA PRO 49 HA PRO 49 -1.036 0.831 -1.633 402 1HB PRO 49 1HB PRO 49 -3.449 2.066 -1.224 403 2HB PRO 49 2HB PRO 49 -1.895 2.712 -0.613 404 1HG PRO 49 1HG PRO 49 -3.419 3.528 -3.076 405 2HG PRO 49 2HG PRO 49 -2.615 4.578 -1.877 406 1HD PRO 49 1HD PRO 49 -1.458 3.892 -4.294 407 2HD PRO 49 2HD PRO 49 -0.504 4.209 -2.818 408 H GLU 50 H GLU 50 -2.704 -0.807 -1.527 409 HA GLU 50 HA GLU 50 -3.022 -2.164 -3.932 410 1HB GLU 50 1HB GLU 50 -3.072 -3.126 -1.632 411 2HB GLU 50 2HB GLU 50 -4.689 -2.457 -1.399 412 1HG GLU 50 1HG GLU 50 -5.514 -3.842 -3.316 413 2HG GLU 50 2HG GLU 50 -3.890 -4.501 -3.521 414 H ASN 51 H ASN 51 -5.454 -0.114 -2.248 415 HA ASN 51 HA ASN 51 -7.605 -0.656 -4.033 416 1HB ASN 51 1HB ASN 51 -8.002 0.413 -1.876 417 2HB ASN 51 2HB ASN 51 -7.009 1.804 -2.332 418 1HD2 ASN 51 2HD2 ASN 51 -10.034 0.031 -3.246 419 2HD2 ASN 51 1HD2 ASN 51 -10.806 1.421 -3.958 420 H ALA 52 H ALA 52 -4.984 1.777 -4.218 421 HA ALA 52 HA ALA 52 -6.091 3.215 -6.467 422 1HB ALA 52 1HB ALA 52 -3.731 4.086 -6.646 423 2HB ALA 52 2HB ALA 52 -4.418 4.260 -5.025 424 3HB ALA 52 3HB ALA 52 -3.245 2.962 -5.381 425 H LEU 53 H LEU 53 -3.693 0.587 -6.084 426 HA LEU 53 HA LEU 53 -3.023 0.326 -8.833 427 1HB LEU 53 1HB LEU 53 -2.956 -1.642 -6.516 428 2HB LEU 53 2HB LEU 53 -2.244 -1.995 -8.075 429 HG LEU 53 HG LEU 53 -1.413 0.417 -6.399 430 1HD1 LEU 53 1HD1 LEU 53 0.529 -0.969 -5.725 431 2HD1 LEU 53 2HD1 LEU 53 -1.013 -1.593 -5.121 432 3HD1 LEU 53 3HD1 LEU 53 -0.222 -2.384 -6.506 433 1HD2 LEU 53 1HD2 LEU 53 -0.776 0.488 -8.834 434 2HD2 LEU 53 2HD2 LEU 53 0.593 0.465 -7.723 435 3HD2 LEU 53 3HD2 LEU 53 0.148 -1.011 -8.576 436 H GLN 54 H GLN 54 -5.501 -1.371 -6.874 437 HA GLN 54 HA GLN 54 -6.402 -2.962 -9.070 438 1HB GLN 54 1HB GLN 54 -7.613 -2.249 -6.375 439 2HB GLN 54 2HB GLN 54 -8.442 -3.296 -7.525 440 1HG GLN 54 1HG GLN 54 -5.644 -3.829 -6.416 441 2HG GLN 54 2HG GLN 54 -7.123 -4.565 -5.813 442 1HE2 GLN 54 2HE2 GLN 54 -4.522 -5.522 -7.474 443 2HE2 GLN 54 1HE2 GLN 54 -5.272 -6.542 -8.684 444 H SER 55 H SER 55 -7.573 0.164 -7.778 445 HA SER 55 HA SER 55 -9.807 0.419 -9.539 446 1HB SER 55 1HB SER 55 -8.014 2.620 -8.425 447 2HB SER 55 2HB SER 55 -9.644 2.825 -9.095 448 HG SER 55 HG SER 55 -8.834 1.480 -6.736 449 H PHE 56 H PHE 56 -6.336 1.259 -9.948 450 HA PHE 56 HA PHE 56 -6.557 2.333 -12.565 451 1HB PHE 56 1HB PHE 56 -4.617 2.683 -11.204 452 2HB PHE 56 2HB PHE 56 -4.294 0.963 -11.080 453 HD1 PHE 56 HD1 PHE 56 -3.617 -0.364 -13.139 454 HD2 PHE 56 HD2 PHE 56 -3.762 3.950 -13.043 455 HE1 PHE 56 HE1 PHE 56 -2.162 -0.261 -15.138 456 HE2 PHE 56 HE2 PHE 56 -2.257 4.028 -15.010 457 HZ PHE 56 HZ PHE 56 -1.445 1.928 -16.026 458 H VAL 57 H VAL 57 -5.942 -1.117 -11.491 459 HA VAL 57 HA VAL 57 -5.735 -2.209 -14.071 460 HB VAL 57 HB VAL 57 -6.853 -3.355 -11.480 461 1HG1 VAL 57 1HG1 VAL 57 -6.652 -5.613 -12.453 462 2HG1 VAL 57 2HG1 VAL 57 -7.911 -4.673 -13.247 463 3HG1 VAL 57 3HG1 VAL 57 -6.342 -4.895 -14.052 464 1HG2 VAL 57 1HG2 VAL 57 -4.352 -2.825 -11.702 465 2HG2 VAL 57 2HG2 VAL 57 -4.777 -4.481 -11.254 466 3HG2 VAL 57 3HG2 VAL 57 -4.301 -4.111 -12.920 467 H GLU 58 H GLU 58 -8.750 -1.581 -12.150 468 HA GLU 58 HA GLU 58 -10.510 -2.512 -14.166 469 1HB GLU 58 1HB GLU 58 -10.962 -0.378 -12.036 470 2HB GLU 58 2HB GLU 58 -12.224 -1.081 -13.052 471 1HG GLU 58 1HG GLU 58 -11.625 -3.348 -12.173 472 2HG GLU 58 2HG GLU 58 -10.477 -2.590 -11.072 473 H ALA 59 H ALA 59 -9.026 0.688 -13.702 474 HA ALA 59 HA ALA 59 -10.520 2.028 -15.728 475 1HB ALA 59 1HB ALA 59 -9.187 3.177 -13.958 476 2HB ALA 59 2HB ALA 59 -7.694 2.681 -14.785 477 3HB ALA 59 3HB ALA 59 -8.832 3.764 -15.598 478 H VAL 60 H VAL 60 -7.362 0.265 -15.938 479 HA VAL 60 HA VAL 60 -7.004 0.834 -18.756 480 HB VAL 60 HB VAL 60 -5.987 -1.688 -17.362 481 1HG1 VAL 60 1HG1 VAL 60 -4.893 -0.012 -19.672 482 2HG1 VAL 60 2HG1 VAL 60 -4.174 -1.497 -19.019 483 3HG1 VAL 60 3HG1 VAL 60 -5.739 -1.564 -19.837 484 1HG2 VAL 60 1HG2 VAL 60 -3.847 -0.375 -17.002 485 2HG2 VAL 60 2HG2 VAL 60 -4.783 1.112 -17.278 486 3HG2 VAL 60 3HG2 VAL 60 -5.154 0.021 -15.920 487 H LYS 61 H LYS 61 -8.457 -1.972 -16.963 488 HA LYS 61 HA LYS 61 -9.051 -3.522 -19.230 489 1HB LYS 61 1HB LYS 61 -9.058 -4.269 -16.848 490 2HB LYS 61 2HB LYS 61 -10.566 -3.388 -16.579 491 1HG LYS 61 1HG LYS 61 -11.723 -4.819 -18.215 492 2HG LYS 61 2HG LYS 61 -10.201 -5.651 -18.595 493 1HD LYS 61 1HD LYS 61 -10.049 -6.409 -16.221 494 2HD LYS 61 2HD LYS 61 -11.604 -5.647 -15.877 495 1HE LYS 61 1HE LYS 61 -11.137 -7.864 -17.931 496 2HE LYS 61 2HE LYS 61 -11.702 -8.128 -16.281 497 1HZ LYS 61 1HZ LYS 61 -13.545 -8.083 -17.804 498 2HZ LYS 61 2HZ LYS 61 -13.672 -6.810 -16.799 499 3HZ LYS 61 3HZ LYS 61 -13.172 -6.594 -18.345 500 H ASN 62 H ASN 62 -11.094 -1.074 -17.580 501 HA ASN 62 HA ASN 62 -13.318 -1.342 -19.392 502 1HB ASN 62 1HB ASN 62 -13.503 -0.438 -17.087 503 2HB ASN 62 2HB ASN 62 -12.490 0.931 -17.543 504 1HD2 ASN 62 2HD2 ASN 62 -13.641 2.761 -18.030 505 2HD2 ASN 62 1HD2 ASN 62 -15.276 2.787 -18.677 506 H GLY 63 H GLY 63 -10.201 0.242 -19.716 507 1HA GLY 63 1HA GLY 63 -9.345 1.735 -21.179 508 2HA GLY 63 2HA GLY 63 -10.622 1.240 -22.307 509 H SER 64 H SER 64 -10.844 2.876 -19.084 510 HA SER 64 HA SER 64 -13.135 4.211 -19.684 511 1HB SER 64 1HB SER 64 -11.063 5.204 -17.699 512 2HB SER 64 2HB SER 64 -12.812 5.471 -17.667 513 HG SER 64 HG SER 64 -12.129 3.759 -16.306 514 HA PRO 65 HA PRO 65 -11.218 8.271 -21.094 515 1HB PRO 65 1HB PRO 65 -8.557 8.658 -21.518 516 2HB PRO 65 2HB PRO 65 -9.296 8.778 -19.891 517 1HG PRO 65 1HG PRO 65 -7.890 6.381 -21.117 518 2HG PRO 65 2HG PRO 65 -7.587 7.137 -19.525 519 1HD PRO 65 1HD PRO 65 -9.191 4.949 -19.802 520 2HD PRO 65 2HD PRO 65 -9.585 6.249 -18.641 521 H PHE 66 H PHE 66 -9.390 5.444 -22.387 522 HA PHE 66 HA PHE 66 -10.112 5.894 -25.138 523 1HB PHE 66 1HB PHE 66 -8.314 7.653 -24.735 524 2HB PHE 66 2HB PHE 66 -7.220 6.365 -24.248 525 HD1 PHE 66 HD1 PHE 66 -9.324 7.606 -27.099 526 HD2 PHE 66 HD2 PHE 66 -5.983 5.146 -25.910 527 HE1 PHE 66 HE1 PHE 66 -8.825 7.124 -29.480 528 HE2 PHE 66 HE2 PHE 66 -5.507 4.644 -28.276 529 HZ PHE 66 HZ PHE 66 -6.944 5.619 -30.079 530 H SER 67 H SER 67 -8.838 4.229 -26.477 531 HA SER 67 HA SER 67 -8.279 2.119 -26.962 532 1HB SER 67 1HB SER 67 -6.722 2.656 -24.443 533 2HB SER 67 2HB SER 67 -6.715 1.024 -25.096 534 HG SER 67 HG SER 67 -6.005 1.790 -27.031 535 H LYS 68 H LYS 68 -8.229 -0.281 -26.128 536 HA LYS 68 HA LYS 68 -9.859 -0.872 -23.861 537 1HB LYS 68 1HB LYS 68 -11.567 -2.299 -25.005 538 2HB LYS 68 2HB LYS 68 -11.784 -0.577 -25.153 539 1HG LYS 68 1HG LYS 68 -12.389 -1.464 -27.201 540 2HG LYS 68 2HG LYS 68 -10.844 -0.672 -27.484 541 1HD LYS 68 1HD LYS 68 -9.694 -2.804 -27.583 542 2HD LYS 68 2HD LYS 68 -11.116 -3.685 -27.015 543 1HE LYS 68 1HE LYS 68 -10.958 -2.118 -29.636 544 2HE LYS 68 2HE LYS 68 -10.641 -3.849 -29.497 545 1HZ LYS 68 1HZ LYS 68 -13.234 -2.553 -28.877 546 2HZ LYS 68 2HZ LYS 68 -12.901 -3.451 -30.193 547 3HZ LYS 68 3HZ LYS 68 -12.923 -4.152 -28.726 548 H VAL 69 H VAL 69 -9.892 -3.245 -23.436 549 HA VAL 69 HA VAL 69 -7.465 -4.512 -24.603 550 HB VAL 69 HB VAL 69 -7.222 -5.744 -22.600 551 1HG1 VAL 69 1HG1 VAL 69 -6.356 -3.415 -22.568 552 2HG1 VAL 69 2HG1 VAL 69 -7.846 -2.872 -21.771 553 3HG1 VAL 69 3HG1 VAL 69 -6.765 -4.015 -20.956 554 1HG2 VAL 69 1HG2 VAL 69 -9.813 -4.531 -21.564 555 2HG2 VAL 69 2HG2 VAL 69 -9.528 -6.237 -21.963 556 3HG2 VAL 69 3HG2 VAL 69 -8.667 -5.505 -20.613 557 H THR 70 H THR 70 -7.593 -6.750 -25.152 558 HA THR 70 HA THR 70 -10.282 -8.016 -25.081 559 HB THR 70 HB THR 70 -9.484 -9.381 -27.046 560 HG1 THR 70 HG1 THR 70 -7.313 -8.990 -27.098 561 1HG2 THR 70 1HG2 THR 70 -9.697 -6.379 -27.569 562 2HG2 THR 70 2HG2 THR 70 -10.009 -7.689 -28.726 563 3HG2 THR 70 3HG2 THR 70 -11.067 -7.483 -27.322 564 H ASP 71 H ASP 71 -6.972 -7.993 -24.008 565 HA ASP 71 HA ASP 71 -7.604 -10.262 -22.273 566 1HB ASP 71 1HB ASP 71 -6.428 -11.372 -24.135 567 2HB ASP 71 2HB ASP 71 -5.134 -10.171 -24.062 568 H ILE 72 H ILE 72 -6.510 -10.058 -20.289 569 HA ILE 72 HA ILE 72 -4.464 -8.027 -19.918 570 HB ILE 72 HB ILE 72 -6.408 -6.661 -19.599 571 1HG1 ILE 72 1HG1 ILE 72 -5.464 -7.409 -16.800 572 2HG1 ILE 72 2HG1 ILE 72 -4.454 -6.544 -17.950 573 1HG2 ILE 72 1HG2 ILE 72 -8.159 -8.352 -19.230 574 2HG2 ILE 72 2HG2 ILE 72 -7.516 -8.672 -17.604 575 3HG2 ILE 72 3HG2 ILE 72 -8.212 -7.092 -18.006 576 1HD1 ILE 72 1HD1 ILE 72 -6.216 -4.726 -18.060 577 2HD1 ILE 72 2HD1 ILE 72 -7.067 -5.566 -16.740 578 3HD1 ILE 72 3HD1 ILE 72 -5.439 -4.925 -16.482 579 H SER 73 H SER 73 -3.106 -8.603 -18.234 580 HA SER 73 HA SER 73 -3.893 -10.755 -16.368 581 1HB SER 73 1HB SER 73 -1.322 -10.776 -18.014 582 2HB SER 73 2HB SER 73 -1.722 -11.890 -16.700 583 HG SER 73 HG SER 73 -2.158 -12.781 -18.759 584 H VAL 74 H VAL 74 -2.748 -10.569 -14.372 585 HA VAL 74 HA VAL 74 -1.215 -8.061 -13.966 586 HB VAL 74 HB VAL 74 -3.657 -8.938 -12.360 587 1HG1 VAL 74 1HG1 VAL 74 -3.469 -6.662 -11.322 588 2HG1 VAL 74 2HG1 VAL 74 -2.117 -7.719 -10.933 589 3HG1 VAL 74 3HG1 VAL 74 -1.912 -6.443 -12.146 590 1HG2 VAL 74 1HG2 VAL 74 -3.412 -6.702 -14.414 591 2HG2 VAL 74 2HG2 VAL 74 -4.483 -8.116 -14.478 592 3HG2 VAL 74 3HG2 VAL 74 -4.750 -6.873 -13.264 593 H THR 75 H THR 75 0.174 -8.140 -12.238 594 HA THR 75 HA THR 75 0.356 -10.534 -10.514 595 HB THR 75 HB THR 75 2.860 -9.105 -11.379 596 HG1 THR 75 HG1 THR 75 1.508 -9.882 -13.280 597 1HG2 THR 75 1HG2 THR 75 2.297 -12.035 -10.783 598 2HG2 THR 75 2HG2 THR 75 3.892 -11.318 -11.107 599 3HG2 THR 75 3HG2 THR 75 2.998 -10.854 -9.653 600 H GLU 76 H GLU 76 1.310 -9.812 -8.362 601 HA GLU 76 HA GLU 76 1.645 -6.912 -8.014 602 1HB GLU 76 1HB GLU 76 -0.283 -8.599 -6.368 603 2HB GLU 76 2HB GLU 76 0.300 -6.997 -5.897 604 1HG GLU 76 1HG GLU 76 -0.676 -6.032 -7.976 605 2HG GLU 76 2HG GLU 76 -1.355 -7.613 -8.378 606 H SER 77 H SER 77 2.820 -6.441 -6.010 607 HA SER 77 HA SER 77 4.002 -8.615 -4.475 608 1HB SER 77 1HB SER 77 5.721 -6.835 -6.278 609 2HB SER 77 2HB SER 77 6.349 -7.902 -5.008 610 HG SER 77 HG SER 77 4.625 -9.159 -6.713 611 H ARG 78 H ARG 78 5.039 -7.709 -2.530 612 HA ARG 78 HA ARG 78 3.660 -5.287 -1.730 613 1HB ARG 78 1HB ARG 78 5.897 -6.548 -0.132 614 2HB ARG 78 2HB ARG 78 4.489 -5.644 0.432 615 1HG ARG 78 1HG ARG 78 4.463 -8.470 -0.720 616 2HG ARG 78 2HG ARG 78 4.389 -8.061 0.983 617 1HD ARG 78 1HD ARG 78 2.291 -7.177 -1.040 618 2HD ARG 78 2HD ARG 78 2.204 -8.671 -0.091 619 HE ARG 78 HE ARG 78 2.641 -6.292 1.531 620 1HH1 ARG 78 1HH2 ARG 78 0.148 -8.371 0.088 621 2HH1 ARG 78 2HH2 ARG 78 -1.082 -7.910 1.204 622 1HH2 ARG 78 1HH1 ARG 78 1.004 -5.686 3.026 623 2HH2 ARG 78 2HH1 ARG 78 -0.578 -6.352 2.910 624 H SER 79 H SER 79 6.957 -5.992 -2.820 625 HA SER 79 HA SER 79 8.311 -3.851 -1.730 626 1HB SER 79 1HB SER 79 8.812 -5.064 -4.474 627 2HB SER 79 2HB SER 79 10.002 -4.349 -3.371 628 HG SER 79 HG SER 79 10.001 -6.640 -3.274 629 H LEU 80 H LEU 80 8.250 -1.699 -2.052 630 HA LEU 80 HA LEU 80 6.984 -0.363 -4.313 631 1HB LEU 80 1HB LEU 80 8.807 0.502 -2.027 632 2HB LEU 80 2HB LEU 80 8.391 1.596 -3.330 633 HG LEU 80 HG LEU 80 6.009 1.434 -2.833 634 1HD1 LEU 80 1HD1 LEU 80 5.353 0.399 -0.574 635 2HD1 LEU 80 2HD1 LEU 80 5.640 -0.718 -1.911 636 3HD1 LEU 80 3HD1 LEU 80 6.873 -0.486 -0.640 637 1HD2 LEU 80 1HD2 LEU 80 7.409 3.158 -1.753 638 2HD2 LEU 80 2HD2 LEU 80 6.060 2.681 -0.716 639 3HD2 LEU 80 3HD2 LEU 80 7.697 2.073 -0.375 640 H GLU 81 H GLU 81 8.446 1.230 -5.628 641 HA GLU 81 HA GLU 81 10.883 -0.221 -6.584 642 1HB GLU 81 1HB GLU 81 8.968 1.707 -7.970 643 2HB GLU 81 2HB GLU 81 10.519 1.213 -8.647 644 1HG GLU 81 1HG GLU 81 8.238 -0.684 -7.963 645 2HG GLU 81 2HG GLU 81 8.611 -0.067 -9.563 646 H GLY 82 H GLY 82 9.644 2.693 -5.097 647 1HA GLY 82 1HA GLY 82 10.868 4.397 -4.058 648 2HA GLY 82 2HA GLY 82 12.368 3.839 -4.829 649 H HIS 83 H HIS 83 9.072 4.622 -6.120 650 HA HIS 83 HA HIS 83 10.286 6.657 -7.947 651 1HB HIS 83 1HB HIS 83 8.213 4.510 -8.581 652 2HB HIS 83 2HB HIS 83 8.587 5.874 -9.627 653 HD1 HIS 83 HD1 HIS 83 11.882 4.861 -8.443 654 HD2 HIS 83 HD2 HIS 83 9.018 3.405 -11.166 655 HE1 HIS 83 HE1 HIS 83 13.136 3.346 -10.064 656 H HIS 84 H HIS 84 8.959 8.420 -8.411 657 HA HIS 84 HA HIS 84 6.514 8.757 -6.731 658 1HB HIS 84 1HB HIS 84 8.790 10.756 -7.019 659 2HB HIS 84 2HB HIS 84 7.366 10.911 -5.993 660 HD1 HIS 84 HD1 HIS 84 10.886 9.730 -5.807 661 HD2 HIS 84 HD2 HIS 84 7.199 8.902 -3.945 662 HE1 HIS 84 HE1 HIS 84 11.436 8.495 -3.651 663 H ARG 85 H ARG 85 7.295 8.518 -9.825 664 HA ARG 85 HA ARG 85 5.347 10.444 -10.763 665 1HB ARG 85 1HB ARG 85 6.898 11.433 -12.475 666 2HB ARG 85 2HB ARG 85 7.169 11.931 -10.828 667 1HG ARG 85 1HG ARG 85 9.291 11.684 -11.795 668 2HG ARG 85 2HG ARG 85 9.119 10.381 -10.645 669 1HD ARG 85 1HD ARG 85 10.255 9.670 -12.727 670 2HD ARG 85 2HD ARG 85 8.784 8.757 -12.430 671 HE ARG 85 HE ARG 85 8.040 9.414 -14.458 672 1HH1 ARG 85 1HH2 ARG 85 10.538 11.785 -13.602 673 2HH1 ARG 85 2HH2 ARG 85 10.306 12.720 -15.033 674 1HH2 ARG 85 1HH1 ARG 85 7.573 10.725 -16.160 675 2HH2 ARG 85 2HH1 ARG 85 8.602 12.065 -16.587 676 H PHE 86 H PHE 86 5.258 10.116 -13.329 677 HA PHE 86 HA PHE 86 5.271 7.172 -13.749 678 1HB PHE 86 1HB PHE 86 3.263 7.662 -15.216 679 2HB PHE 86 2HB PHE 86 3.040 7.766 -13.482 680 HD1 PHE 86 HD1 PHE 86 2.318 9.777 -12.416 681 HD2 PHE 86 HD2 PHE 86 3.509 9.856 -16.565 682 HE1 PHE 86 HE1 PHE 86 1.508 12.115 -12.610 683 HE2 PHE 86 HE2 PHE 86 2.666 12.181 -16.760 684 HZ PHE 86 HZ PHE 86 1.673 13.318 -14.781 685 H SER 87 H SER 87 5.871 6.413 -15.802 686 HA SER 87 HA SER 87 7.085 8.399 -17.681 687 1HB SER 87 1HB SER 87 8.386 5.891 -16.551 688 2HB SER 87 2HB SER 87 9.132 7.074 -17.638 689 HG SER 87 HG SER 87 9.713 7.398 -15.450 690 H ILE 88 H ILE 88 7.726 7.490 -19.775 691 HA ILE 88 HA ILE 88 6.144 5.108 -20.588 692 HB ILE 88 HB ILE 88 6.382 7.670 -22.219 693 1HG1 ILE 88 1HG1 ILE 88 4.069 6.648 -20.510 694 2HG1 ILE 88 2HG1 ILE 88 4.950 8.159 -20.307 695 1HG2 ILE 88 1HG2 ILE 88 6.176 5.503 -23.472 696 2HG2 ILE 88 2HG2 ILE 88 4.684 5.167 -22.566 697 3HG2 ILE 88 3HG2 ILE 88 4.772 6.538 -23.697 698 1HD1 ILE 88 1HD1 ILE 88 3.011 7.481 -22.541 699 2HD1 ILE 88 2HD1 ILE 88 2.830 8.675 -21.251 700 3HD1 ILE 88 3HD1 ILE 88 4.046 8.934 -22.520 701 H VAL 89 H VAL 89 7.556 3.627 -21.233 702 HA VAL 89 HA VAL 89 10.361 4.226 -21.539 703 HB VAL 89 HB VAL 89 8.833 1.664 -22.171 704 1HG1 VAL 89 1HG1 VAL 89 11.769 2.125 -21.455 705 2HG1 VAL 89 2HG1 VAL 89 10.993 0.538 -21.634 706 3HG1 VAL 89 3HG1 VAL 89 11.145 1.592 -23.031 707 1HG2 VAL 89 1HG2 VAL 89 10.043 2.610 -19.533 708 2HG2 VAL 89 2HG2 VAL 89 8.335 2.238 -19.861 709 3HG2 VAL 89 3HG2 VAL 89 9.522 0.944 -19.853 710 H TYR 90 H TYR 90 11.621 4.086 -23.478 711 HA TYR 90 HA TYR 90 10.408 5.169 -25.807 712 1HB TYR 90 1HB TYR 90 12.630 4.801 -26.845 713 2HB TYR 90 2HB TYR 90 12.692 5.654 -25.317 714 HD1 TYR 90 HD1 TYR 90 13.839 4.723 -23.374 715 HD2 TYR 90 HD2 TYR 90 13.442 2.425 -27.011 716 HE1 TYR 90 HE1 TYR 90 15.461 3.070 -22.505 717 HE2 TYR 90 HE2 TYR 90 15.068 0.777 -26.155 718 HH TYR 90 HH TYR 90 16.461 0.170 -24.386 719 H SER 91 H SER 91 11.086 1.827 -24.867 720 HA SER 91 HA SER 91 10.340 0.588 -27.368 721 1HB SER 91 1HB SER 91 10.173 -0.498 -24.524 722 2HB SER 91 2HB SER 91 10.142 -1.434 -26.025 723 HG SER 91 HG SER 91 12.245 -1.414 -25.082 Start of MODEL 12 1 1H MET 1 1H MET 1 3.114 0.039 2.337 2 2H MET 1 2H MET 1 2.843 -1.530 1.934 3 3H MET 1 3H MET 1 4.265 -0.833 1.547 4 HA MET 1 HA MET 1 1.640 -0.080 0.477 5 1HB MET 1 1HB MET 1 3.779 1.616 0.675 6 2HB MET 1 2HB MET 1 4.124 0.861 -0.884 7 1HG MET 1 1HG MET 1 1.705 1.390 -1.511 8 2HG MET 1 2HG MET 1 1.560 2.263 0.003 9 1HE MET 1 1HE MET 1 4.831 2.457 -2.483 10 2HE MET 1 2HE MET 1 3.374 1.901 -3.335 11 3HE MET 1 3HE MET 1 4.047 3.513 -3.678 12 H LEU 2 H LEU 2 1.990 -0.361 -2.258 13 HA LEU 2 HA LEU 2 2.821 -3.180 -2.608 14 1HB LEU 2 1HB LEU 2 0.275 -2.523 -1.829 15 2HB LEU 2 2HB LEU 2 0.159 -2.210 -3.546 16 HG LEU 2 HG LEU 2 1.134 -4.605 -3.840 17 1HD1 LEU 2 1HD1 LEU 2 1.803 -4.915 -1.470 18 2HD1 LEU 2 2HD1 LEU 2 0.104 -4.803 -0.978 19 3HD1 LEU 2 3HD1 LEU 2 0.643 -6.154 -1.993 20 1HD2 LEU 2 1HD2 LEU 2 -1.182 -3.989 -4.409 21 2HD2 LEU 2 2HD2 LEU 2 -1.118 -5.599 -3.679 22 3HD2 LEU 2 3HD2 LEU 2 -1.665 -4.212 -2.711 23 H GLN 3 H GLN 3 2.169 -3.767 -5.004 24 HA GLN 3 HA GLN 3 2.751 -1.669 -6.962 25 1HB GLN 3 1HB GLN 3 4.911 -2.387 -5.853 26 2HB GLN 3 2HB GLN 3 4.555 -4.041 -6.328 27 1HG GLN 3 1HG GLN 3 4.805 -3.373 -8.730 28 2HG GLN 3 2HG GLN 3 5.173 -1.726 -8.181 29 1HE2 GLN 3 2HE2 GLN 3 7.302 -1.794 -9.108 30 2HE2 GLN 3 1HE2 GLN 3 8.573 -2.630 -8.240 31 H TYR 4 H TYR 4 2.642 -2.573 -9.191 32 HA TYR 4 HA TYR 4 1.629 -5.329 -9.411 33 1HB TYR 4 1HB TYR 4 0.012 -4.776 -11.132 34 2HB TYR 4 2HB TYR 4 -0.393 -4.005 -9.623 35 HD1 TYR 4 HD1 TYR 4 -1.519 -2.012 -9.992 36 HD2 TYR 4 HD2 TYR 4 1.654 -3.015 -12.736 37 HE1 TYR 4 HE1 TYR 4 -1.742 0.192 -11.080 38 HE2 TYR 4 HE2 TYR 4 1.458 -0.825 -13.787 39 HH TYR 4 HH TYR 4 0.412 1.258 -13.750 40 H ARG 5 H ARG 5 1.882 -6.175 -11.556 41 HA ARG 5 HA ARG 5 3.383 -4.555 -13.518 42 1HB ARG 5 1HB ARG 5 5.070 -6.165 -12.677 43 2HB ARG 5 2HB ARG 5 3.929 -7.486 -12.916 44 1HG ARG 5 1HG ARG 5 3.938 -6.863 -15.433 45 2HG ARG 5 2HG ARG 5 5.291 -5.794 -15.047 46 1HD ARG 5 1HD ARG 5 6.123 -7.908 -15.883 47 2HD ARG 5 2HD ARG 5 6.541 -7.785 -14.164 48 HE ARG 5 HE ARG 5 4.103 -9.117 -14.191 49 1HH1 ARG 5 1HH2 ARG 5 7.266 -9.793 -15.660 50 2HH1 ARG 5 2HH2 ARG 5 7.053 -11.505 -15.626 51 1HH2 ARG 5 1HH1 ARG 5 3.824 -11.296 -14.111 52 2HH2 ARG 5 2HH1 ARG 5 5.018 -12.404 -14.728 53 H ILE 6 H ILE 6 2.261 -4.734 -15.524 54 HA ILE 6 HA ILE 6 -0.030 -6.636 -15.679 55 HB ILE 6 HB ILE 6 -0.061 -3.609 -16.031 56 1HG1 ILE 6 1HG1 ILE 6 -1.760 -5.334 -14.187 57 2HG1 ILE 6 2HG1 ILE 6 -0.299 -4.504 -13.668 58 1HG2 ILE 6 1HG2 ILE 6 -1.398 -4.557 -17.827 59 2HG2 ILE 6 2HG2 ILE 6 -2.285 -5.591 -16.678 60 3HG2 ILE 6 3HG2 ILE 6 -2.472 -3.828 -16.656 61 1HD1 ILE 6 1HD1 ILE 6 -2.870 -3.200 -14.576 62 2HD1 ILE 6 2HD1 ILE 6 -2.068 -3.128 -13.000 63 3HD1 ILE 6 3HD1 ILE 6 -1.317 -2.335 -14.391 64 H ILE 7 H ILE 7 -0.506 -7.217 -17.826 65 HA ILE 7 HA ILE 7 1.016 -5.925 -19.977 66 HB ILE 7 HB ILE 7 0.705 -8.581 -20.824 67 1HG1 ILE 7 1HG1 ILE 7 0.651 -9.276 -18.358 68 2HG1 ILE 7 2HG1 ILE 7 1.719 -10.104 -19.470 69 1HG2 ILE 7 1HG2 ILE 7 3.226 -7.099 -20.034 70 2HG2 ILE 7 2HG2 ILE 7 3.134 -8.536 -21.084 71 3HG2 ILE 7 3HG2 ILE 7 2.385 -7.009 -21.581 72 1HD1 ILE 7 1HD1 ILE 7 2.772 -9.680 -17.270 73 2HD1 ILE 7 2HD1 ILE 7 3.676 -8.965 -18.615 74 3HD1 ILE 7 3HD1 ILE 7 2.680 -7.933 -17.565 75 H VAL 8 H VAL 8 -0.269 -5.540 -21.751 76 HA VAL 8 HA VAL 8 -3.026 -6.626 -21.791 77 HB VAL 8 HB VAL 8 -3.772 -4.195 -22.163 78 1HG1 VAL 8 1HG1 VAL 8 -4.007 -3.768 -19.717 79 2HG1 VAL 8 2HG1 VAL 8 -4.458 -5.396 -20.231 80 3HG1 VAL 8 3HG1 VAL 8 -2.914 -5.117 -19.404 81 1HG2 VAL 8 1HG2 VAL 8 -2.538 -2.403 -21.108 82 2HG2 VAL 8 2HG2 VAL 8 -1.236 -3.502 -20.613 83 3HG2 VAL 8 3HG2 VAL 8 -1.518 -3.160 -22.333 84 H ASP 9 H ASP 9 -4.123 -6.342 -23.766 85 HA ASP 9 HA ASP 9 -2.725 -5.094 -26.032 86 1HB ASP 9 1HB ASP 9 -2.067 -7.433 -26.287 87 2HB ASP 9 2HB ASP 9 -3.737 -7.963 -26.056 88 H GLY 10 H GLY 10 -4.278 -4.482 -27.684 89 1HA GLY 10 1HA GLY 10 -6.918 -4.638 -28.012 90 2HA GLY 10 2HA GLY 10 -6.831 -3.694 -26.511 91 H ARG 11 H ARG 11 -7.533 -1.744 -27.571 92 HA ARG 11 HA ARG 11 -5.649 -0.521 -29.496 93 1HB ARG 11 1HB ARG 11 -8.082 0.024 -29.711 94 2HB ARG 11 2HB ARG 11 -8.051 0.764 -28.109 95 1HG ARG 11 1HG ARG 11 -6.274 2.357 -28.912 96 2HG ARG 11 2HG ARG 11 -6.381 1.640 -30.521 97 1HD ARG 11 1HD ARG 11 -8.674 2.982 -29.039 98 2HD ARG 11 2HD ARG 11 -7.645 3.783 -30.209 99 HE ARG 11 HE ARG 11 -8.410 2.133 -31.901 100 1HH1 ARG 11 1HH1 ARG 11 -10.574 2.732 -29.106 101 2HH1 ARG 11 2HH1 ARG 11 -12.007 2.510 -30.042 102 1HH2 ARG 11 2HH2 ARG 11 -10.325 1.733 -33.060 103 2HH2 ARG 11 1HH2 ARG 11 -11.861 1.852 -32.299 104 H VAL 12 H VAL 12 -3.883 -1.060 -28.032 105 HA VAL 12 HA VAL 12 -3.619 0.826 -25.729 106 HB VAL 12 HB VAL 12 -1.933 -0.747 -24.866 107 1HG1 VAL 12 1HG1 VAL 12 -4.610 -2.094 -25.414 108 2HG1 VAL 12 2HG1 VAL 12 -3.465 -2.480 -24.115 109 3HG1 VAL 12 3HG1 VAL 12 -4.282 -0.909 -24.138 110 1HG2 VAL 12 1HG2 VAL 12 -1.254 -1.866 -27.023 111 2HG2 VAL 12 2HG2 VAL 12 -1.646 -2.995 -25.729 112 3HG2 VAL 12 3HG2 VAL 12 -2.808 -2.709 -27.038 113 H GLN 13 H GLN 13 -2.757 0.656 -28.929 114 HA GLN 13 HA GLN 13 -0.407 2.419 -28.540 115 1HB GLN 13 1HB GLN 13 -0.512 -0.049 -30.323 116 2HB GLN 13 2HB GLN 13 0.742 1.188 -30.419 117 1HG GLN 13 1HG GLN 13 0.258 -0.484 -27.933 118 2HG GLN 13 2HG GLN 13 1.385 -0.896 -29.205 119 1HE2 GLN 13 2HE2 GLN 13 0.791 1.325 -26.491 120 2HE2 GLN 13 1HE2 GLN 13 2.453 1.902 -26.433 121 H GLY 14 H GLY 14 -3.206 3.067 -29.119 122 1HA GLY 14 1HA GLY 14 -2.694 4.691 -31.468 123 2HA GLY 14 2HA GLY 14 -4.007 3.526 -31.683 124 H VAL 15 H VAL 15 -4.317 6.297 -31.728 125 HA VAL 15 HA VAL 15 -5.442 8.049 -31.074 126 HB VAL 15 HB VAL 15 -7.248 6.178 -29.518 127 1HG1 VAL 15 1HG1 VAL 15 -7.669 8.635 -29.216 128 2HG1 VAL 15 2HG1 VAL 15 -7.802 8.811 -30.973 129 3HG1 VAL 15 3HG1 VAL 15 -8.982 7.828 -30.081 130 1HG2 VAL 15 1HG2 VAL 15 -7.287 6.880 -32.493 131 2HG2 VAL 15 2HG2 VAL 15 -6.960 5.276 -31.811 132 3HG2 VAL 15 3HG2 VAL 15 -8.558 5.995 -31.622 133 H GLY 16 H GLY 16 -5.611 6.240 -27.928 134 1HA GLY 16 1HA GLY 16 -4.484 8.607 -26.518 135 2HA GLY 16 2HA GLY 16 -5.364 7.241 -25.808 136 H PHE 17 H PHE 17 -3.620 5.491 -27.752 137 HA PHE 17 HA PHE 17 -1.783 4.178 -27.604 138 1HB PHE 17 1HB PHE 17 -0.426 6.824 -26.964 139 2HB PHE 17 2HB PHE 17 0.387 5.377 -27.525 140 HD1 PHE 17 HD1 PHE 17 0.469 4.764 -29.844 141 HD2 PHE 17 HD2 PHE 17 -1.951 8.089 -28.537 142 HE1 PHE 17 HE1 PHE 17 0.165 5.472 -32.197 143 HE2 PHE 17 HE2 PHE 17 -2.262 8.785 -30.896 144 HZ PHE 17 HZ PHE 17 -1.208 7.478 -32.734 145 H ARG 18 H ARG 18 0.551 4.196 -26.001 146 HA ARG 18 HA ARG 18 -0.431 3.174 -23.492 147 1HB ARG 18 1HB ARG 18 1.929 3.048 -22.838 148 2HB ARG 18 2HB ARG 18 1.569 2.247 -24.354 149 1HG ARG 18 1HG ARG 18 2.561 4.214 -25.577 150 2HG ARG 18 2HG ARG 18 2.970 4.946 -24.013 151 1HD ARG 18 1HD ARG 18 4.408 3.045 -23.456 152 2HD ARG 18 2HD ARG 18 3.921 2.181 -24.910 153 HE ARG 18 HE ARG 18 4.905 4.205 -26.162 154 1HH1 ARG 18 1HH2 ARG 18 6.328 3.040 -23.059 155 2HH1 ARG 18 2HH2 ARG 18 7.929 3.475 -23.581 156 1HH2 ARG 18 1HH1 ARG 18 7.089 4.782 -26.674 157 2HH2 ARG 18 2HH1 ARG 18 8.340 4.477 -25.509 158 H TYR 19 H TYR 19 0.033 6.443 -24.521 159 HA TYR 19 HA TYR 19 0.600 7.589 -21.959 160 1HB TYR 19 1HB TYR 19 0.787 8.821 -24.091 161 2HB TYR 19 2HB TYR 19 -0.953 8.738 -24.306 162 HD1 TYR 19 HD1 TYR 19 -2.444 10.259 -23.172 163 HD2 TYR 19 HD2 TYR 19 1.759 10.169 -22.193 164 HE1 TYR 19 HE1 TYR 19 -2.685 12.393 -21.936 165 HE2 TYR 19 HE2 TYR 19 1.516 12.269 -20.909 166 HH TYR 19 HH TYR 19 0.060 13.961 -20.226 167 H PHE 20 H PHE 20 -2.471 6.393 -23.476 168 HA PHE 20 HA PHE 20 -4.201 7.545 -21.692 169 1HB PHE 20 1HB PHE 20 -5.784 6.365 -22.680 170 2HB PHE 20 2HB PHE 20 -4.538 5.718 -23.708 171 HD1 PHE 20 HD1 PHE 20 -6.447 5.044 -20.519 172 HD2 PHE 20 HD2 PHE 20 -4.219 3.332 -23.791 173 HE1 PHE 20 HE1 PHE 20 -7.191 2.767 -19.844 174 HE2 PHE 20 HE2 PHE 20 -5.006 1.081 -23.144 175 HZ PHE 20 HZ PHE 20 -6.495 0.791 -21.174 176 H VAL 21 H VAL 21 -2.477 4.397 -21.068 177 HA VAL 21 HA VAL 21 -3.751 4.129 -18.543 178 HB VAL 21 HB VAL 21 -1.949 2.555 -18.019 179 1HG1 VAL 21 1HG1 VAL 21 -2.694 0.846 -19.619 180 2HG1 VAL 21 2HG1 VAL 21 -4.051 1.881 -19.154 181 3HG1 VAL 21 3HG1 VAL 21 -3.259 2.106 -20.726 182 1HG2 VAL 21 1HG2 VAL 21 -0.919 2.921 -20.845 183 2HG2 VAL 21 2HG2 VAL 21 -0.073 3.493 -19.383 184 3HG2 VAL 21 3HG2 VAL 21 -0.357 1.770 -19.624 185 H GLN 22 H GLN 22 -0.924 6.070 -19.548 186 HA GLN 22 HA GLN 22 -0.179 6.494 -16.765 187 1HB GLN 22 1HB GLN 22 0.708 8.032 -19.214 188 2HB GLN 22 2HB GLN 22 1.421 8.068 -17.607 189 1HG GLN 22 1HG GLN 22 1.392 5.746 -19.557 190 2HG GLN 22 2HG GLN 22 2.774 6.681 -19.024 191 1HE2 GLN 22 2HE2 GLN 22 4.115 5.452 -17.672 192 2HE2 GLN 22 1HE2 GLN 22 3.491 4.293 -16.505 193 H MET 23 H MET 23 -2.445 8.012 -18.970 194 HA MET 23 HA MET 23 -2.982 10.323 -17.275 195 1HB MET 23 1HB MET 23 -5.004 8.808 -18.981 196 2HB MET 23 2HB MET 23 -5.196 10.394 -18.260 197 1HG MET 23 1HG MET 23 -3.267 11.191 -19.672 198 2HG MET 23 2HG MET 23 -3.344 9.652 -20.537 199 1HE MET 23 1HE MET 23 -7.029 9.845 -22.077 200 2HE MET 23 2HE MET 23 -5.468 9.063 -22.353 201 3HE MET 23 3HE MET 23 -6.289 8.888 -20.777 202 H GLU 24 H GLU 24 -4.383 6.997 -17.502 203 HA GLU 24 HA GLU 24 -6.128 7.350 -15.278 204 1HB GLU 24 1HB GLU 24 -4.986 4.799 -16.495 205 2HB GLU 24 2HB GLU 24 -6.340 4.866 -15.367 206 1HG GLU 24 1HG GLU 24 -6.311 6.157 -18.150 207 2HG GLU 24 2HG GLU 24 -7.076 4.633 -17.726 208 H ALA 25 H ALA 25 -2.742 6.359 -15.432 209 HA ALA 25 HA ALA 25 -2.432 5.559 -12.712 210 1HB ALA 25 1HB ALA 25 -0.807 5.071 -14.544 211 2HB ALA 25 2HB ALA 25 -0.399 6.805 -14.620 212 3HB ALA 25 3HB ALA 25 -0.032 5.877 -13.166 213 H ASP 26 H ASP 26 -1.894 8.739 -14.370 214 HA ASP 26 HA ASP 26 -1.147 10.194 -12.045 215 1HB ASP 26 1HB ASP 26 -0.813 11.048 -14.311 216 2HB ASP 26 2HB ASP 26 -2.550 11.116 -14.583 217 H LYS 27 H LYS 27 -4.348 9.560 -13.500 218 HA LYS 27 HA LYS 27 -5.926 11.013 -11.668 219 1HB LYS 27 1HB LYS 27 -6.750 10.303 -13.768 220 2HB LYS 27 2HB LYS 27 -6.423 8.616 -13.451 221 1HG LYS 27 1HG LYS 27 -8.406 10.050 -11.686 222 2HG LYS 27 2HG LYS 27 -8.876 9.671 -13.332 223 1HD LYS 27 1HD LYS 27 -7.799 7.578 -11.415 224 2HD LYS 27 2HD LYS 27 -9.517 7.925 -11.590 225 1HE LYS 27 1HE LYS 27 -7.646 6.945 -13.795 226 2HE LYS 27 2HE LYS 27 -8.715 5.919 -12.851 227 1HZ LYS 27 1HZ LYS 27 -9.651 6.545 -15.009 228 2HZ LYS 27 2HZ LYS 27 -10.618 7.060 -13.778 229 3HZ LYS 27 3HZ LYS 27 -9.665 8.118 -14.598 230 H ARG 28 H ARG 28 -4.099 8.103 -11.045 231 HA ARG 28 HA ARG 28 -5.389 7.928 -8.342 232 1HB ARG 28 1HB ARG 28 -4.082 5.760 -10.039 233 2HB ARG 28 2HB ARG 28 -4.498 5.550 -8.346 234 1HG ARG 28 1HG ARG 28 -6.460 5.926 -10.626 235 2HG ARG 28 2HG ARG 28 -6.058 4.438 -9.791 236 1HD ARG 28 1HD ARG 28 -8.136 5.087 -8.923 237 2HD ARG 28 2HD ARG 28 -6.949 5.419 -7.648 238 HE ARG 28 HE ARG 28 -7.223 7.786 -9.126 239 1HH1 ARG 28 1HH2 ARG 28 -9.386 5.833 -7.084 240 2HH1 ARG 28 2HH2 ARG 28 -10.362 7.181 -6.638 241 1HH2 ARG 28 1HH1 ARG 28 -8.436 9.506 -8.550 242 2HH2 ARG 28 2HH1 ARG 28 -9.809 9.355 -7.501 243 H LYS 29 H LYS 29 -3.013 9.514 -9.633 244 HA LYS 29 HA LYS 29 -0.891 10.009 -9.311 245 1HB LYS 29 1HB LYS 29 -2.413 10.628 -7.067 246 2HB LYS 29 2HB LYS 29 -0.989 9.921 -6.344 247 1HG LYS 29 1HG LYS 29 -1.084 12.210 -8.364 248 2HG LYS 29 2HG LYS 29 -0.861 12.388 -6.632 249 1HD LYS 29 1HD LYS 29 1.130 11.037 -8.515 250 2HD LYS 29 2HD LYS 29 1.216 12.695 -7.912 251 1HE LYS 29 1HE LYS 29 1.209 11.743 -5.549 252 2HE LYS 29 2HE LYS 29 1.397 10.138 -6.266 253 1HZ LYS 29 1HZ LYS 29 3.488 10.962 -7.295 254 2HZ LYS 29 2HZ LYS 29 3.291 12.401 -6.543 255 3HZ LYS 29 3HZ LYS 29 3.527 11.053 -5.662 256 H LEU 30 H LEU 30 -1.062 7.285 -9.868 257 HA LEU 30 HA LEU 30 0.674 5.748 -8.090 258 1HB LEU 30 1HB LEU 30 -0.247 5.339 -10.968 259 2HB LEU 30 2HB LEU 30 0.746 4.184 -10.077 260 HG LEU 30 HG LEU 30 -2.085 5.035 -9.367 261 1HD1 LEU 30 1HD1 LEU 30 -1.969 3.592 -11.341 262 2HD1 LEU 30 2HD1 LEU 30 -0.952 2.436 -10.471 263 3HD1 LEU 30 3HD1 LEU 30 -2.639 2.695 -9.969 264 1HD2 LEU 30 1HD2 LEU 30 -1.984 3.131 -7.720 265 2HD2 LEU 30 2HD2 LEU 30 -0.231 3.065 -7.991 266 3HD2 LEU 30 3HD2 LEU 30 -0.983 4.515 -7.284 267 H ALA 31 H ALA 31 2.803 4.917 -8.818 268 HA ALA 31 HA ALA 31 4.315 6.836 -10.523 269 1HB ALA 31 1HB ALA 31 6.193 6.623 -8.943 270 2HB ALA 31 2HB ALA 31 4.773 7.341 -8.139 271 3HB ALA 31 3HB ALA 31 5.196 5.638 -7.859 272 H GLY 32 H GLY 32 5.573 5.735 -12.084 273 1HA GLY 32 1HA GLY 32 6.358 3.012 -12.008 274 2HA GLY 32 2HA GLY 32 4.674 3.094 -12.530 275 H TRP 33 H TRP 33 5.857 2.053 -14.456 276 HA TRP 33 HA TRP 33 6.270 4.209 -16.412 277 1HB TRP 33 1HB TRP 33 8.145 3.093 -17.442 278 2HB TRP 33 2HB TRP 33 8.495 3.510 -15.782 279 HD1 TRP 33 HD1 TRP 33 7.496 0.355 -17.801 280 HE1 TRP 33 HE1 TRP 33 8.691 -1.666 -16.817 281 HE3 TRP 33 HE3 TRP 33 9.675 2.613 -13.750 282 HZ2 TRP 33 HZ2 TRP 33 10.508 -2.221 -14.617 283 HZ3 TRP 33 HZ3 TRP 33 11.151 1.316 -12.243 284 HH2 TRP 33 HH2 TRP 33 11.579 -1.098 -12.666 285 H VAL 34 H VAL 34 5.879 3.591 -18.637 286 HA VAL 34 HA VAL 34 4.565 0.934 -19.042 287 HB VAL 34 HB VAL 34 2.860 2.720 -18.883 288 1HG1 VAL 34 1HG1 VAL 34 4.093 4.609 -19.857 289 2HG1 VAL 34 2HG1 VAL 34 4.156 3.803 -21.424 290 3HG1 VAL 34 3HG1 VAL 34 2.599 4.300 -20.762 291 1HG2 VAL 34 1HG2 VAL 34 2.479 0.653 -20.135 292 2HG2 VAL 34 2HG2 VAL 34 1.622 2.024 -20.839 293 3HG2 VAL 34 3HG2 VAL 34 3.094 1.419 -21.614 294 H LYS 35 H LYS 35 4.943 -0.095 -20.936 295 HA LYS 35 HA LYS 35 7.099 0.864 -22.762 296 1HB LYS 35 1HB LYS 35 8.032 -0.265 -20.729 297 2HB LYS 35 2HB LYS 35 6.988 -1.649 -21.042 298 1HG LYS 35 1HG LYS 35 8.258 -2.126 -23.133 299 2HG LYS 35 2HG LYS 35 9.248 -0.682 -22.858 300 1HD LYS 35 1HD LYS 35 10.438 -2.713 -22.167 301 2HD LYS 35 2HD LYS 35 10.116 -1.682 -20.763 302 1HE LYS 35 1HE LYS 35 8.129 -3.085 -20.202 303 2HE LYS 35 2HE LYS 35 8.451 -4.110 -21.603 304 1HZ LYS 35 1HZ LYS 35 10.326 -3.774 -19.333 305 2HZ LYS 35 2HZ LYS 35 9.206 -4.962 -19.451 306 3HZ LYS 35 3HZ LYS 35 10.443 -4.876 -20.545 307 H ASN 36 H ASN 36 7.197 -0.693 -24.693 308 HA ASN 36 HA ASN 36 4.741 -2.355 -25.014 309 1HB ASN 36 1HB ASN 36 4.521 -0.374 -26.471 310 2HB ASN 36 2HB ASN 36 6.097 -0.724 -27.192 311 1HD2 ASN 36 2HD2 ASN 36 2.886 -2.319 -26.563 312 2HD2 ASN 36 1HD2 ASN 36 2.924 -3.325 -27.978 313 H ARG 37 H ARG 37 5.238 -4.439 -25.301 314 HA ARG 37 HA ARG 37 8.033 -5.284 -25.208 315 1HB ARG 37 1HB ARG 37 5.368 -6.776 -25.376 316 2HB ARG 37 2HB ARG 37 6.929 -7.569 -25.172 317 1HG ARG 37 1HG ARG 37 7.251 -6.653 -22.982 318 2HG ARG 37 2HG ARG 37 5.937 -5.487 -23.184 319 1HD ARG 37 1HD ARG 37 5.198 -7.328 -21.751 320 2HD ARG 37 2HD ARG 37 4.278 -7.255 -23.239 321 HE ARG 37 HE ARG 37 5.240 -9.246 -24.002 322 1HH1 ARG 37 1HH2 ARG 37 6.579 -8.412 -20.756 323 2HH1 ARG 37 2HH2 ARG 37 7.312 -9.969 -20.574 324 1HH2 ARG 37 1HH1 ARG 37 6.174 -11.176 -23.729 325 2HH2 ARG 37 2HH1 ARG 37 7.073 -11.621 -22.295 326 H ASP 38 H ASP 38 9.003 -6.705 -26.782 327 HA ASP 38 HA ASP 38 8.572 -6.101 -29.522 328 1HB ASP 38 1HB ASP 38 10.697 -6.950 -28.670 329 2HB ASP 38 2HB ASP 38 9.937 -8.472 -28.193 330 H ASP 39 H ASP 39 7.199 -8.621 -27.429 331 HA ASP 39 HA ASP 39 5.990 -10.126 -29.557 332 1HB ASP 39 1HB ASP 39 4.937 -11.428 -27.920 333 2HB ASP 39 2HB ASP 39 6.554 -11.073 -27.341 334 H GLY 40 H GLY 40 5.172 -7.072 -28.303 335 1HA GLY 40 1HA GLY 40 3.678 -5.817 -29.642 336 2HA GLY 40 2HA GLY 40 2.577 -7.193 -29.747 337 H ARG 41 H ARG 41 2.988 -7.639 -26.650 338 HA ARG 41 HA ARG 41 0.621 -6.079 -25.939 339 1HB ARG 41 1HB ARG 41 2.530 -7.844 -24.349 340 2HB ARG 41 2HB ARG 41 1.374 -6.793 -23.544 341 1HG ARG 41 1HG ARG 41 0.359 -8.881 -23.585 342 2HG ARG 41 2HG ARG 41 -0.496 -7.883 -24.751 343 1HD ARG 41 1HD ARG 41 -0.231 -10.061 -25.734 344 2HD ARG 41 2HD ARG 41 0.863 -8.981 -26.590 345 HE ARG 41 HE ARG 41 2.726 -9.951 -25.561 346 1HH1 ARG 41 1HH2 ARG 41 -0.259 -11.494 -24.360 347 2HH1 ARG 41 2HH2 ARG 41 0.559 -12.826 -23.632 348 1HH2 ARG 41 1HH1 ARG 41 3.799 -11.704 -24.606 349 2HH2 ARG 41 2HH1 ARG 41 2.924 -12.961 -23.781 350 H VAL 42 H VAL 42 0.464 -4.375 -24.465 351 HA VAL 42 HA VAL 42 2.899 -2.720 -24.042 352 HB VAL 42 HB VAL 42 -0.078 -2.280 -23.693 353 1HG1 VAL 42 1HG1 VAL 42 2.121 -0.538 -22.511 354 2HG1 VAL 42 2HG1 VAL 42 0.409 -0.076 -22.658 355 3HG1 VAL 42 3HG1 VAL 42 0.872 -1.411 -21.598 356 1HG2 VAL 42 1HG2 VAL 42 0.941 -1.784 -25.869 357 2HG2 VAL 42 2HG2 VAL 42 0.447 -0.292 -25.056 358 3HG2 VAL 42 3HG2 VAL 42 2.165 -0.752 -25.076 359 H GLU 43 H GLU 43 3.669 -2.423 -21.944 360 HA GLU 43 HA GLU 43 2.747 -4.354 -19.893 361 1HB GLU 43 1HB GLU 43 4.728 -5.248 -21.058 362 2HB GLU 43 2HB GLU 43 5.630 -3.772 -20.706 363 1HG GLU 43 1HG GLU 43 5.466 -4.224 -18.289 364 2HG GLU 43 2HG GLU 43 4.472 -5.650 -18.596 365 H ILE 44 H ILE 44 2.681 -3.429 -17.858 366 HA ILE 44 HA ILE 44 3.503 -0.589 -17.563 367 HB ILE 44 HB ILE 44 1.011 -1.664 -16.289 368 1HG1 ILE 44 1HG1 ILE 44 0.871 -0.651 -19.149 369 2HG1 ILE 44 2HG1 ILE 44 0.588 -2.315 -18.628 370 1HG2 ILE 44 1HG2 ILE 44 0.340 0.672 -16.272 371 2HG2 ILE 44 2HG2 ILE 44 2.031 0.610 -15.787 372 3HG2 ILE 44 3HG2 ILE 44 1.613 1.097 -17.436 373 1HD1 ILE 44 1HD1 ILE 44 -1.310 -1.548 -17.206 374 2HD1 ILE 44 2HD1 ILE 44 -1.124 0.077 -17.903 375 3HD1 ILE 44 3HD1 ILE 44 -1.538 -1.291 -18.946 376 H LEU 45 H LEU 45 4.328 -0.180 -15.439 377 HA LEU 45 HA LEU 45 3.971 -2.265 -13.357 378 1HB LEU 45 1HB LEU 45 5.947 -2.975 -14.589 379 2HB LEU 45 2HB LEU 45 6.673 -1.379 -14.466 380 HG LEU 45 HG LEU 45 5.981 -2.960 -11.960 381 1HD1 LEU 45 1HD1 LEU 45 8.516 -3.216 -13.619 382 2HD1 LEU 45 2HD1 LEU 45 8.253 -3.918 -12.006 383 3HD1 LEU 45 3HD1 LEU 45 7.285 -4.472 -13.377 384 1HD2 LEU 45 1HD2 LEU 45 6.673 -0.705 -11.447 385 2HD2 LEU 45 2HD2 LEU 45 8.078 -1.728 -11.143 386 3HD2 LEU 45 3HD2 LEU 45 7.989 -0.765 -12.626 387 H ALA 46 H ALA 46 3.538 -1.181 -11.440 388 HA ALA 46 HA ALA 46 4.697 1.457 -10.976 389 1HB ALA 46 1HB ALA 46 2.559 2.620 -10.763 390 2HB ALA 46 2HB ALA 46 2.599 1.894 -12.380 391 3HB ALA 46 3HB ALA 46 1.669 1.135 -11.059 392 H GLU 47 H GLU 47 4.200 2.258 -8.862 393 HA GLU 47 HA GLU 47 3.345 0.229 -6.872 394 1HB GLU 47 1HB GLU 47 4.799 1.266 -5.271 395 2HB GLU 47 2HB GLU 47 5.741 0.749 -6.666 396 1HG GLU 47 1HG GLU 47 5.842 3.076 -7.486 397 2HG GLU 47 2HG GLU 47 4.784 3.614 -6.183 398 H GLY 48 H GLY 48 2.141 1.034 -5.083 399 1HA GLY 48 1HA GLY 48 1.375 3.653 -4.567 400 2HA GLY 48 2HA GLY 48 0.167 3.014 -5.695 401 HA PRO 49 HA PRO 49 -0.930 1.367 -1.461 402 1HB PRO 49 1HB PRO 49 -3.302 2.707 -1.079 403 2HB PRO 49 2HB PRO 49 -1.716 3.303 -0.502 404 1HG PRO 49 1HG PRO 49 -3.234 4.111 -2.971 405 2HG PRO 49 2HG PRO 49 -2.345 5.154 -1.826 406 1HD PRO 49 1HD PRO 49 -1.298 4.305 -4.246 407 2HD PRO 49 2HD PRO 49 -0.281 4.644 -2.812 408 H GLU 50 H GLU 50 -2.629 -0.200 -1.228 409 HA GLU 50 HA GLU 50 -3.038 -1.667 -3.550 410 1HB GLU 50 1HB GLU 50 -3.055 -2.575 -1.260 411 2HB GLU 50 2HB GLU 50 -4.606 -1.789 -0.940 412 1HG GLU 50 1HG GLU 50 -5.672 -3.159 -2.717 413 2HG GLU 50 2HG GLU 50 -4.119 -3.909 -3.082 414 H ASN 51 H ASN 51 -5.461 0.445 -1.877 415 HA ASN 51 HA ASN 51 -7.595 -0.147 -3.640 416 1HB ASN 51 1HB ASN 51 -7.990 1.012 -1.528 417 2HB ASN 51 2HB ASN 51 -7.008 2.389 -2.050 418 1HD2 ASN 51 2HD2 ASN 51 -10.024 0.556 -2.876 419 2HD2 ASN 51 1HD2 ASN 51 -10.811 1.908 -3.641 420 H ALA 52 H ALA 52 -4.987 2.276 -3.976 421 HA ALA 52 HA ALA 52 -6.117 3.619 -6.270 422 1HB ALA 52 1HB ALA 52 -3.774 4.466 -6.538 423 2HB ALA 52 2HB ALA 52 -4.390 4.683 -4.894 424 3HB ALA 52 3HB ALA 52 -3.240 3.370 -5.257 425 H LEU 53 H LEU 53 -3.743 0.958 -5.838 426 HA LEU 53 HA LEU 53 -3.216 0.603 -8.626 427 1HB LEU 53 1HB LEU 53 -2.990 -1.273 -6.250 428 2HB LEU 53 2HB LEU 53 -2.389 -1.680 -7.851 429 HG LEU 53 HG LEU 53 -1.438 0.791 -6.332 430 1HD1 LEU 53 1HD1 LEU 53 0.519 -0.606 -5.721 431 2HD1 LEU 53 2HD1 LEU 53 -1.000 -1.141 -4.988 432 3HD1 LEU 53 3HD1 LEU 53 -0.314 -2.042 -6.367 433 1HD2 LEU 53 1HD2 LEU 53 -0.960 0.705 -8.816 434 2HD2 LEU 53 2HD2 LEU 53 0.475 0.748 -7.792 435 3HD2 LEU 53 3HD2 LEU 53 -0.020 -0.778 -8.518 436 H GLN 54 H GLN 54 -5.509 -1.084 -6.443 437 HA GLN 54 HA GLN 54 -6.483 -2.832 -8.463 438 1HB GLN 54 1HB GLN 54 -7.813 -1.863 -5.898 439 2HB GLN 54 2HB GLN 54 -8.443 -3.154 -6.923 440 1HG GLN 54 1HG GLN 54 -5.814 -3.189 -5.394 441 2HG GLN 54 2HG GLN 54 -7.259 -4.095 -5.009 442 1HE2 GLN 54 2HE2 GLN 54 -4.299 -4.753 -5.877 443 2HE2 GLN 54 1HE2 GLN 54 -4.544 -6.057 -7.019 444 H SER 55 H SER 55 -7.670 0.367 -7.375 445 HA SER 55 HA SER 55 -9.933 0.469 -9.104 446 1HB SER 55 1HB SER 55 -8.190 2.776 -8.139 447 2HB SER 55 2HB SER 55 -9.835 2.899 -8.792 448 HG SER 55 HG SER 55 -8.934 1.747 -6.375 449 H PHE 56 H PHE 56 -6.498 1.424 -9.650 450 HA PHE 56 HA PHE 56 -6.808 2.347 -12.306 451 1HB PHE 56 1HB PHE 56 -4.798 2.785 -11.090 452 2HB PHE 56 2HB PHE 56 -4.481 1.084 -10.818 453 HD1 PHE 56 HD1 PHE 56 -4.150 3.853 -13.166 454 HD2 PHE 56 HD2 PHE 56 -3.768 -0.423 -12.692 455 HE1 PHE 56 HE1 PHE 56 -2.829 3.718 -15.238 456 HE2 PHE 56 HE2 PHE 56 -2.487 -0.532 -14.811 457 HZ PHE 56 HZ PHE 56 -1.995 1.534 -16.077 458 H VAL 57 H VAL 57 -6.074 -1.033 -11.103 459 HA VAL 57 HA VAL 57 -5.898 -2.154 -13.680 460 HB VAL 57 HB VAL 57 -6.770 -3.365 -11.013 461 1HG1 VAL 57 1HG1 VAL 57 -6.255 -5.594 -11.996 462 2HG1 VAL 57 2HG1 VAL 57 -7.661 -4.845 -12.751 463 3HG1 VAL 57 3HG1 VAL 57 -6.099 -4.839 -13.599 464 1HG2 VAL 57 1HG2 VAL 57 -4.169 -3.756 -12.527 465 2HG2 VAL 57 2HG2 VAL 57 -4.358 -2.524 -11.272 466 3HG2 VAL 57 3HG2 VAL 57 -4.538 -4.230 -10.858 467 H GLU 58 H GLU 58 -8.838 -1.676 -11.612 468 HA GLU 58 HA GLU 58 -10.642 -2.858 -13.455 469 1HB GLU 58 1HB GLU 58 -11.074 -0.652 -11.396 470 2HB GLU 58 2HB GLU 58 -12.369 -1.433 -12.312 471 1HG GLU 58 1HG GLU 58 -11.651 -3.645 -11.400 472 2HG GLU 58 2HG GLU 58 -10.451 -2.823 -10.406 473 H ALA 59 H ALA 59 -9.391 0.464 -13.216 474 HA ALA 59 HA ALA 59 -11.029 1.599 -15.256 475 1HB ALA 59 1HB ALA 59 -9.723 2.907 -13.582 476 2HB ALA 59 2HB ALA 59 -8.222 2.448 -14.407 477 3HB ALA 59 3HB ALA 59 -9.430 3.423 -15.255 478 H VAL 60 H VAL 60 -7.769 0.035 -15.461 479 HA VAL 60 HA VAL 60 -7.480 0.384 -18.295 480 HB VAL 60 HB VAL 60 -6.388 -1.887 -16.548 481 1HG1 VAL 60 1HG1 VAL 60 -5.467 -0.839 -19.260 482 2HG1 VAL 60 2HG1 VAL 60 -4.638 -2.067 -18.275 483 3HG1 VAL 60 3HG1 VAL 60 -6.237 -2.410 -18.938 484 1HG2 VAL 60 1HG2 VAL 60 -4.259 -0.541 -16.597 485 2HG2 VAL 60 2HG2 VAL 60 -5.190 0.832 -17.238 486 3HG2 VAL 60 3HG2 VAL 60 -5.527 0.168 -15.626 487 H LYS 61 H LYS 61 -8.742 -2.393 -16.339 488 HA LYS 61 HA LYS 61 -9.338 -4.074 -18.499 489 1HB LYS 61 1HB LYS 61 -9.188 -4.706 -16.096 490 2HB LYS 61 2HB LYS 61 -10.732 -3.899 -15.790 491 1HG LYS 61 1HG LYS 61 -11.887 -5.476 -17.282 492 2HG LYS 61 2HG LYS 61 -10.340 -6.223 -17.731 493 1HD LYS 61 1HD LYS 61 -10.000 -6.931 -15.375 494 2HD LYS 61 2HD LYS 61 -11.549 -6.177 -14.928 495 1HE LYS 61 1HE LYS 61 -12.730 -7.682 -16.521 496 2HE LYS 61 2HE LYS 61 -11.190 -8.435 -16.956 497 1HZ LYS 61 1HZ LYS 61 -12.419 -8.503 -14.259 498 2HZ LYS 61 2HZ LYS 61 -12.379 -9.740 -15.315 499 3HZ LYS 61 3HZ LYS 61 -10.993 -9.197 -14.657 500 H ASN 62 H ASN 62 -11.402 -1.582 -16.962 501 HA ASN 62 HA ASN 62 -13.762 -2.142 -18.444 502 1HB ASN 62 1HB ASN 62 -13.694 -0.744 -16.390 503 2HB ASN 62 2HB ASN 62 -12.793 0.499 -17.266 504 1HD2 ASN 62 2HD2 ASN 62 -14.079 2.156 -18.066 505 2HD2 ASN 62 1HD2 ASN 62 -15.773 1.979 -18.490 506 H GLY 63 H GLY 63 -10.787 -0.450 -19.386 507 1HA GLY 63 1HA GLY 63 -10.201 0.730 -21.239 508 2HA GLY 63 2HA GLY 63 -11.450 -0.188 -22.112 509 H SER 64 H SER 64 -11.548 2.276 -19.456 510 HA SER 64 HA SER 64 -13.979 3.366 -20.174 511 1HB SER 64 1HB SER 64 -11.775 4.869 -18.734 512 2HB SER 64 2HB SER 64 -13.524 5.053 -18.561 513 HG SER 64 HG SER 64 -12.480 3.770 -16.911 514 HA PRO 65 HA PRO 65 -12.105 6.804 -22.849 515 1HB PRO 65 1HB PRO 65 -9.483 6.918 -23.587 516 2HB PRO 65 2HB PRO 65 -10.083 7.529 -22.022 517 1HG PRO 65 1HG PRO 65 -8.727 4.897 -22.599 518 2HG PRO 65 2HG PRO 65 -8.437 6.039 -21.255 519 1HD PRO 65 1HD PRO 65 -10.038 3.788 -21.053 520 2HD PRO 65 2HD PRO 65 -10.250 5.253 -20.057 521 H PHE 66 H PHE 66 -10.950 6.880 -25.231 522 HA PHE 66 HA PHE 66 -12.114 4.871 -26.865 523 1HB PHE 66 1HB PHE 66 -10.246 5.957 -28.503 524 2HB PHE 66 2HB PHE 66 -11.790 6.691 -28.139 525 HD1 PHE 66 HD1 PHE 66 -8.169 6.742 -27.054 526 HD2 PHE 66 HD2 PHE 66 -11.949 8.833 -27.167 527 HE1 PHE 66 HE1 PHE 66 -7.100 8.762 -26.088 528 HE2 PHE 66 HE2 PHE 66 -10.858 10.848 -26.226 529 HZ PHE 66 HZ PHE 66 -8.431 10.814 -25.678 530 H SER 67 H SER 67 -8.770 5.214 -25.572 531 HA SER 67 HA SER 67 -7.852 2.759 -26.841 532 1HB SER 67 1HB SER 67 -6.722 4.479 -24.612 533 2HB SER 67 2HB SER 67 -5.873 3.134 -25.411 534 HG SER 67 HG SER 67 -5.881 4.248 -27.313 535 H LYS 68 H LYS 68 -7.624 0.729 -25.801 536 HA LYS 68 HA LYS 68 -9.098 0.234 -23.330 537 1HB LYS 68 1HB LYS 68 -11.007 -0.864 -24.365 538 2HB LYS 68 2HB LYS 68 -10.901 0.778 -24.990 539 1HG LYS 68 1HG LYS 68 -9.627 -0.281 -27.012 540 2HG LYS 68 2HG LYS 68 -10.203 -1.834 -26.389 541 1HD LYS 68 1HD LYS 68 -12.545 -0.914 -26.497 542 2HD LYS 68 2HD LYS 68 -11.874 0.561 -27.253 543 1HE LYS 68 1HE LYS 68 -11.029 -0.740 -29.143 544 2HE LYS 68 2HE LYS 68 -11.487 -2.258 -28.362 545 1HZ LYS 68 1HZ LYS 68 -13.098 -1.596 -30.036 546 2HZ LYS 68 2HZ LYS 68 -13.805 -1.623 -28.572 547 3HZ LYS 68 3HZ LYS 68 -13.415 -0.195 -29.264 548 H VAL 69 H VAL 69 -9.327 -2.187 -22.989 549 HA VAL 69 HA VAL 69 -7.147 -3.638 -24.406 550 HB VAL 69 HB VAL 69 -6.585 -4.785 -22.425 551 1HG1 VAL 69 1HG1 VAL 69 -6.828 -1.833 -21.686 552 2HG1 VAL 69 2HG1 VAL 69 -5.633 -2.999 -21.114 553 3HG1 VAL 69 3HG1 VAL 69 -5.622 -2.505 -22.809 554 1HG2 VAL 69 1HG2 VAL 69 -7.563 -4.260 -20.200 555 2HG2 VAL 69 2HG2 VAL 69 -8.830 -3.302 -20.997 556 3HG2 VAL 69 3HG2 VAL 69 -8.717 -5.051 -21.277 557 H THR 70 H THR 70 -7.537 -5.748 -24.958 558 HA THR 70 HA THR 70 -10.269 -6.853 -24.563 559 HB THR 70 HB THR 70 -9.980 -7.806 -26.890 560 HG1 THR 70 HG1 THR 70 -7.822 -7.537 -27.283 561 1HG2 THR 70 1HG2 THR 70 -11.378 -5.772 -26.444 562 2HG2 THR 70 2HG2 THR 70 -9.965 -4.749 -26.781 563 3HG2 THR 70 3HG2 THR 70 -10.647 -5.777 -28.056 564 H ASP 71 H ASP 71 -6.922 -7.179 -24.019 565 HA ASP 71 HA ASP 71 -7.428 -9.765 -22.750 566 1HB ASP 71 1HB ASP 71 -6.353 -10.476 -24.838 567 2HB ASP 71 2HB ASP 71 -5.106 -9.238 -24.655 568 H ILE 72 H ILE 72 -6.291 -9.827 -20.781 569 HA ILE 72 HA ILE 72 -4.312 -7.794 -20.132 570 HB ILE 72 HB ILE 72 -6.324 -6.541 -19.723 571 1HG1 ILE 72 1HG1 ILE 72 -5.385 -7.497 -16.992 572 2HG1 ILE 72 2HG1 ILE 72 -4.383 -6.515 -18.050 573 1HG2 ILE 72 1HG2 ILE 72 -8.123 -7.192 -18.208 574 2HG2 ILE 72 2HG2 ILE 72 -8.000 -8.342 -19.529 575 3HG2 ILE 72 3HG2 ILE 72 -7.361 -8.766 -17.925 576 1HD1 ILE 72 1HD1 ILE 72 -6.151 -4.733 -18.044 577 2HD1 ILE 72 2HD1 ILE 72 -7.061 -5.694 -16.856 578 3HD1 ILE 72 3HD1 ILE 72 -5.460 -5.065 -16.449 579 H SER 73 H SER 73 -2.937 -8.528 -18.567 580 HA SER 73 HA SER 73 -3.695 -10.783 -16.819 581 1HB SER 73 1HB SER 73 -1.125 -10.650 -18.468 582 2HB SER 73 2HB SER 73 -1.475 -11.833 -17.199 583 HG SER 73 HG SER 73 -2.874 -11.480 -19.654 584 H VAL 74 H VAL 74 -2.523 -10.680 -14.817 585 HA VAL 74 HA VAL 74 -1.119 -8.119 -14.281 586 HB VAL 74 HB VAL 74 -3.511 -9.212 -12.732 587 1HG1 VAL 74 1HG1 VAL 74 -3.449 -6.996 -11.567 588 2HG1 VAL 74 2HG1 VAL 74 -2.034 -7.989 -11.241 589 3HG1 VAL 74 3HG1 VAL 74 -1.911 -6.637 -12.379 590 1HG2 VAL 74 1HG2 VAL 74 -3.385 -6.854 -14.658 591 2HG2 VAL 74 2HG2 VAL 74 -4.379 -8.319 -14.805 592 3HG2 VAL 74 3HG2 VAL 74 -4.718 -7.162 -13.525 593 H THR 75 H THR 75 0.276 -8.205 -12.576 594 HA THR 75 HA THR 75 0.617 -10.654 -10.961 595 HB THR 75 HB THR 75 3.001 -8.992 -11.734 596 HG1 THR 75 HG1 THR 75 1.762 -9.721 -13.693 597 1HG2 THR 75 1HG2 THR 75 3.253 -10.811 -10.093 598 2HG2 THR 75 2HG2 THR 75 2.674 -11.985 -11.299 599 3HG2 THR 75 3HG2 THR 75 4.208 -11.119 -11.551 600 H GLU 76 H GLU 76 1.315 -9.966 -8.744 601 HA GLU 76 HA GLU 76 0.953 -7.051 -8.227 602 1HB GLU 76 1HB GLU 76 -0.435 -9.351 -6.780 603 2HB GLU 76 2HB GLU 76 -0.569 -7.631 -6.387 604 1HG GLU 76 1HG GLU 76 -1.604 -7.208 -8.607 605 2HG GLU 76 2HG GLU 76 -1.510 -8.930 -8.990 606 H SER 77 H SER 77 2.366 -6.307 -6.689 607 HA SER 77 HA SER 77 4.292 -8.265 -5.577 608 1HB SER 77 1HB SER 77 5.972 -6.592 -6.783 609 2HB SER 77 2HB SER 77 5.218 -7.939 -7.638 610 HG SER 77 HG SER 77 5.067 -6.061 -8.854 611 H ARG 78 H ARG 78 6.079 -7.145 -4.345 612 HA ARG 78 HA ARG 78 5.105 -4.744 -2.843 613 1HB ARG 78 1HB ARG 78 6.248 -7.377 -1.814 614 2HB ARG 78 2HB ARG 78 6.422 -5.904 -0.898 615 1HG ARG 78 1HG ARG 78 4.614 -7.029 0.042 616 2HG ARG 78 2HG ARG 78 3.995 -5.597 -0.760 617 1HD ARG 78 1HD ARG 78 2.533 -7.587 -0.987 618 2HD ARG 78 2HD ARG 78 3.041 -6.928 -2.538 619 HE ARG 78 HE ARG 78 4.687 -9.117 -1.439 620 1HH1 ARG 78 1HH2 ARG 78 1.893 -8.383 -3.487 621 2HH1 ARG 78 2HH2 ARG 78 2.218 -9.648 -4.628 622 1HH2 ARG 78 1HH1 ARG 78 4.971 -10.954 -2.815 623 2HH2 ARG 78 2HH1 ARG 78 3.865 -11.257 -4.100 624 H SER 79 H SER 79 7.452 -5.763 -4.996 625 HA SER 79 HA SER 79 9.859 -5.242 -3.655 626 1HB SER 79 1HB SER 79 9.370 -4.995 -6.641 627 2HB SER 79 2HB SER 79 10.850 -5.492 -5.809 628 HG SER 79 HG SER 79 9.697 -7.286 -6.636 629 H LEU 80 H LEU 80 7.628 -3.061 -5.235 630 HA LEU 80 HA LEU 80 7.485 -0.844 -5.537 631 1HB LEU 80 1HB LEU 80 9.825 -0.513 -3.630 632 2HB LEU 80 2HB LEU 80 8.780 0.756 -4.203 633 HG LEU 80 HG LEU 80 7.969 -1.553 -2.403 634 1HD1 LEU 80 1HD1 LEU 80 8.123 1.447 -1.908 635 2HD1 LEU 80 2HD1 LEU 80 7.610 0.210 -0.738 636 3HD1 LEU 80 3HD1 LEU 80 9.279 0.232 -1.324 637 1HD2 LEU 80 1HD2 LEU 80 6.038 -1.032 -3.842 638 2HD2 LEU 80 2HD2 LEU 80 5.761 -0.431 -2.215 639 3HD2 LEU 80 3HD2 LEU 80 6.238 0.703 -3.500 640 H GLU 81 H GLU 81 8.839 1.141 -6.381 641 HA GLU 81 HA GLU 81 11.033 0.239 -8.135 642 1HB GLU 81 1HB GLU 81 9.952 0.928 -10.171 643 2HB GLU 81 2HB GLU 81 9.060 -0.338 -9.367 644 1HG GLU 81 1HG GLU 81 7.374 1.061 -10.122 645 2HG GLU 81 2HG GLU 81 7.514 1.505 -8.433 646 H GLY 82 H GLY 82 9.411 2.846 -6.434 647 1HA GLY 82 1HA GLY 82 10.678 4.322 -5.272 648 2HA GLY 82 2HA GLY 82 12.085 3.932 -6.258 649 H HIS 83 H HIS 83 9.561 4.917 -8.370 650 HA HIS 83 HA HIS 83 10.663 7.672 -8.555 651 1HB HIS 83 1HB HIS 83 8.603 6.244 -10.283 652 2HB HIS 83 2HB HIS 83 9.280 7.840 -10.577 653 HD1 HIS 83 HD1 HIS 83 9.941 4.277 -11.355 654 HD2 HIS 83 HD2 HIS 83 12.082 7.894 -11.057 655 HE1 HIS 83 HE1 HIS 83 12.149 3.918 -12.603 656 H HIS 84 H HIS 84 8.612 9.236 -9.125 657 HA HIS 84 HA HIS 84 6.536 8.890 -7.008 658 1HB HIS 84 1HB HIS 84 6.747 11.253 -6.488 659 2HB HIS 84 2HB HIS 84 8.288 10.442 -6.264 660 HD1 HIS 84 HD1 HIS 84 10.311 11.283 -7.848 661 HD2 HIS 84 HD2 HIS 84 6.534 12.996 -8.592 662 HE1 HIS 84 HE1 HIS 84 10.703 13.207 -9.464 663 H ARG 85 H ARG 85 6.846 8.843 -10.266 664 HA ARG 85 HA ARG 85 4.224 10.024 -10.793 665 1HB ARG 85 1HB ARG 85 5.127 11.401 -12.674 666 2HB ARG 85 2HB ARG 85 5.588 12.003 -11.092 667 1HG ARG 85 1HG ARG 85 7.840 11.334 -11.311 668 2HG ARG 85 2HG ARG 85 7.501 10.185 -12.606 669 1HD ARG 85 1HD ARG 85 7.162 13.192 -12.917 670 2HD ARG 85 2HD ARG 85 8.645 12.309 -13.342 671 HE ARG 85 HE ARG 85 6.703 10.882 -14.636 672 1HH1 ARG 85 1HH2 ARG 85 7.664 14.299 -14.808 673 2HH1 ARG 85 2HH2 ARG 85 7.081 14.508 -16.418 674 1HH2 ARG 85 1HH1 ARG 85 5.909 11.138 -16.645 675 2HH2 ARG 85 2HH1 ARG 85 6.064 12.628 -17.530 676 H PHE 86 H PHE 86 3.734 9.661 -13.228 677 HA PHE 86 HA PHE 86 4.373 6.910 -13.956 678 1HB PHE 86 1HB PHE 86 2.950 7.371 -15.889 679 2HB PHE 86 2HB PHE 86 2.148 7.815 -14.399 680 HD1 PHE 86 HD1 PHE 86 1.464 10.097 -13.977 681 HD2 PHE 86 HD2 PHE 86 3.831 9.150 -17.459 682 HE1 PHE 86 HE1 PHE 86 1.099 12.393 -14.864 683 HE2 PHE 86 HE2 PHE 86 3.412 11.418 -18.363 684 HZ PHE 86 HZ PHE 86 2.061 13.051 -17.060 685 H SER 87 H SER 87 5.601 6.289 -15.762 686 HA SER 87 HA SER 87 7.238 8.341 -17.177 687 1HB SER 87 1HB SER 87 8.356 5.666 -16.362 688 2HB SER 87 2HB SER 87 9.205 7.176 -16.692 689 HG SER 87 HG SER 87 7.648 6.457 -14.432 690 H ILE 88 H ILE 88 8.174 7.490 -19.242 691 HA ILE 88 HA ILE 88 6.583 5.284 -20.448 692 HB ILE 88 HB ILE 88 6.952 8.053 -21.686 693 1HG1 ILE 88 1HG1 ILE 88 4.553 6.748 -20.353 694 2HG1 ILE 88 2HG1 ILE 88 5.339 8.253 -19.888 695 1HG2 ILE 88 1HG2 ILE 88 6.902 6.148 -23.289 696 2HG2 ILE 88 2HG2 ILE 88 5.335 5.634 -22.601 697 3HG2 ILE 88 3HG2 ILE 88 5.495 7.182 -23.464 698 1HD1 ILE 88 1HD1 ILE 88 3.240 8.770 -20.887 699 2HD1 ILE 88 2HD1 ILE 88 4.515 9.294 -22.012 700 3HD1 ILE 88 3HD1 ILE 88 3.584 7.802 -22.322 701 H VAL 89 H VAL 89 8.079 3.835 -20.981 702 HA VAL 89 HA VAL 89 10.861 4.435 -20.896 703 HB VAL 89 HB VAL 89 9.392 1.959 -21.922 704 1HG1 VAL 89 1HG1 VAL 89 11.477 0.731 -21.352 705 2HG1 VAL 89 2HG1 VAL 89 11.735 1.886 -22.654 706 3HG1 VAL 89 3HG1 VAL 89 12.287 2.272 -21.004 707 1HG2 VAL 89 1HG2 VAL 89 8.768 2.415 -19.599 708 2HG2 VAL 89 2HG2 VAL 89 9.869 1.044 -19.639 709 3HG2 VAL 89 3HG2 VAL 89 10.471 2.639 -19.148 710 H TYR 90 H TYR 90 12.373 4.761 -22.519 711 HA TYR 90 HA TYR 90 11.494 4.669 -25.358 712 1HB TYR 90 1HB TYR 90 12.530 6.845 -25.737 713 2HB TYR 90 2HB TYR 90 11.239 6.960 -24.561 714 HD1 TYR 90 HD1 TYR 90 11.699 7.509 -22.203 715 HD2 TYR 90 HD2 TYR 90 14.906 7.168 -25.071 716 HE1 TYR 90 HE1 TYR 90 13.243 8.593 -20.599 717 HE2 TYR 90 HE2 TYR 90 16.455 8.251 -23.480 718 HH TYR 90 HH TYR 90 16.706 9.200 -21.364 719 H SER 91 H SER 91 13.567 3.336 -23.200 720 HA SER 91 HA SER 91 16.149 3.574 -24.193 721 1HB SER 91 1HB SER 91 14.879 1.049 -23.067 722 2HB SER 91 2HB SER 91 16.575 1.548 -22.974 723 HG SER 91 HG SER 91 15.457 2.010 -21.017 Start of MODEL 13 1 1H MET 1 1H MET 1 4.061 -0.638 1.729 2 2H MET 1 2H MET 1 2.672 -0.124 2.442 3 3H MET 1 3H MET 1 2.811 -1.666 1.901 4 HA MET 1 HA MET 1 1.451 -0.411 0.397 5 1HB MET 1 1HB MET 1 3.872 1.412 0.344 6 2HB MET 1 2HB MET 1 2.768 1.314 -1.029 7 1HG MET 1 1HG MET 1 0.864 1.929 0.369 8 2HG MET 1 2HG MET 1 1.901 1.995 1.798 9 1HE MET 1 1HE MET 1 2.885 3.422 -1.881 10 2HE MET 1 2HE MET 1 1.127 3.383 -1.672 11 3HE MET 1 3HE MET 1 1.978 4.947 -1.766 12 H LEU 2 H LEU 2 2.041 -0.302 -2.206 13 HA LEU 2 HA LEU 2 2.929 -3.126 -2.559 14 1HB LEU 2 1HB LEU 2 0.293 -1.696 -2.592 15 2HB LEU 2 2HB LEU 2 0.574 -2.792 -3.929 16 HG LEU 2 HG LEU 2 0.881 -4.662 -2.557 17 1HD1 LEU 2 1HD1 LEU 2 0.524 -2.849 -0.154 18 2HD1 LEU 2 2HD1 LEU 2 0.317 -4.606 -0.092 19 3HD1 LEU 2 3HD1 LEU 2 1.894 -3.954 -0.516 20 1HD2 LEU 2 1HD2 LEU 2 -1.423 -4.871 -1.719 21 2HD2 LEU 2 2HD2 LEU 2 -1.589 -3.102 -1.793 22 3HD2 LEU 2 3HD2 LEU 2 -1.366 -4.046 -3.284 23 H GLN 3 H GLN 3 2.438 -3.769 -4.942 24 HA GLN 3 HA GLN 3 3.006 -1.696 -6.932 25 1HB GLN 3 1HB GLN 3 5.249 -2.201 -6.305 26 2HB GLN 3 2HB GLN 3 4.910 -3.916 -6.113 27 1HG GLN 3 1HG GLN 3 4.726 -4.179 -8.565 28 2HG GLN 3 2HG GLN 3 5.056 -2.453 -8.775 29 1HE2 GLN 3 2HE2 GLN 3 7.201 -1.795 -8.862 30 2HE2 GLN 3 1HE2 GLN 3 8.557 -2.859 -8.508 31 H TYR 4 H TYR 4 2.616 -2.507 -9.129 32 HA TYR 4 HA TYR 4 1.538 -5.264 -9.291 33 1HB TYR 4 1HB TYR 4 -0.049 -4.687 -10.998 34 2HB TYR 4 2HB TYR 4 -0.391 -3.838 -9.516 35 HD1 TYR 4 HD1 TYR 4 1.822 -2.941 -12.553 36 HD2 TYR 4 HD2 TYR 4 -1.611 -1.952 -10.131 37 HE1 TYR 4 HE1 TYR 4 1.673 -0.782 -13.660 38 HE2 TYR 4 HE2 TYR 4 -1.793 0.200 -11.294 39 HH TYR 4 HH TYR 4 -0.872 1.607 -12.947 40 H ARG 5 H ARG 5 1.712 -6.166 -11.466 41 HA ARG 5 HA ARG 5 3.362 -4.699 -13.405 42 1HB ARG 5 1HB ARG 5 4.911 -6.393 -12.377 43 2HB ARG 5 2HB ARG 5 3.759 -7.667 -12.794 44 1HG ARG 5 1HG ARG 5 4.021 -7.098 -15.215 45 2HG ARG 5 2HG ARG 5 5.201 -5.842 -14.777 46 1HD ARG 5 1HD ARG 5 6.691 -7.543 -13.818 47 2HD ARG 5 2HD ARG 5 5.473 -8.805 -14.103 48 HE ARG 5 HE ARG 5 6.108 -7.476 -16.574 49 1HH1 ARG 5 1HH2 ARG 5 7.512 -9.860 -14.320 50 2HH1 ARG 5 2HH2 ARG 5 8.432 -10.643 -15.552 51 1HH2 ARG 5 1HH1 ARG 5 7.244 -8.425 -18.095 52 2HH2 ARG 5 2HH1 ARG 5 8.290 -9.813 -17.818 53 H ILE 6 H ILE 6 2.256 -4.829 -15.397 54 HA ILE 6 HA ILE 6 -0.064 -6.690 -15.597 55 HB ILE 6 HB ILE 6 -0.070 -3.670 -15.974 56 1HG1 ILE 6 1HG1 ILE 6 -1.760 -5.311 -14.054 57 2HG1 ILE 6 2HG1 ILE 6 -0.282 -4.480 -13.582 58 1HG2 ILE 6 1HG2 ILE 6 -2.502 -3.919 -16.567 59 2HG2 ILE 6 2HG2 ILE 6 -1.426 -4.651 -17.731 60 3HG2 ILE 6 3HG2 ILE 6 -2.287 -5.679 -16.559 61 1HD1 ILE 6 1HD1 ILE 6 -1.258 -2.320 -14.305 62 2HD1 ILE 6 2HD1 ILE 6 -2.823 -3.145 -14.547 63 3HD1 ILE 6 3HD1 ILE 6 -2.084 -3.094 -12.944 64 H ILE 7 H ILE 7 -0.472 -7.299 -17.738 65 HA ILE 7 HA ILE 7 0.955 -5.901 -19.873 66 HB ILE 7 HB ILE 7 0.876 -8.551 -20.751 67 1HG1 ILE 7 1HG1 ILE 7 0.850 -9.272 -18.256 68 2HG1 ILE 7 2HG1 ILE 7 1.941 -10.029 -19.393 69 1HG2 ILE 7 1HG2 ILE 7 3.232 -6.883 -19.872 70 2HG2 ILE 7 2HG2 ILE 7 3.312 -8.344 -20.883 71 3HG2 ILE 7 3HG2 ILE 7 2.459 -6.898 -21.464 72 1HD1 ILE 7 1HD1 ILE 7 3.857 -8.809 -18.566 73 2HD1 ILE 7 2HD1 ILE 7 2.840 -7.807 -17.513 74 3HD1 ILE 7 3HD1 ILE 7 3.009 -9.546 -17.196 75 H VAL 8 H VAL 8 -0.355 -5.612 -21.643 76 HA VAL 8 HA VAL 8 -3.068 -6.820 -21.646 77 HB VAL 8 HB VAL 8 -3.885 -4.404 -22.037 78 1HG1 VAL 8 1HG1 VAL 8 -4.531 -5.613 -20.103 79 2HG1 VAL 8 2HG1 VAL 8 -3.007 -5.256 -19.266 80 3HG1 VAL 8 3HG1 VAL 8 -4.165 -3.959 -19.624 81 1HG2 VAL 8 1HG2 VAL 8 -2.698 -2.571 -21.008 82 2HG2 VAL 8 2HG2 VAL 8 -1.377 -3.631 -20.480 83 3HG2 VAL 8 3HG2 VAL 8 -1.639 -3.321 -22.207 84 H ASP 9 H ASP 9 -4.204 -6.550 -23.656 85 HA ASP 9 HA ASP 9 -2.845 -5.195 -25.860 86 1HB ASP 9 1HB ASP 9 -1.917 -7.420 -26.102 87 2HB ASP 9 2HB ASP 9 -3.521 -8.152 -26.022 88 H GLY 10 H GLY 10 -4.350 -4.842 -27.666 89 1HA GLY 10 1HA GLY 10 -6.945 -5.184 -28.099 90 2HA GLY 10 2HA GLY 10 -7.001 -4.206 -26.611 91 H ARG 11 H ARG 11 -7.741 -2.331 -27.637 92 HA ARG 11 HA ARG 11 -5.916 -0.916 -29.478 93 1HB ARG 11 1HB ARG 11 -8.450 -0.686 -29.647 94 2HB ARG 11 2HB ARG 11 -8.429 0.120 -28.075 95 1HG ARG 11 1HG ARG 11 -6.989 1.932 -29.045 96 2HG ARG 11 2HG ARG 11 -7.003 1.070 -30.600 97 1HD ARG 11 1HD ARG 11 -9.526 1.249 -30.576 98 2HD ARG 11 2HD ARG 11 -9.390 2.231 -29.115 99 HE ARG 11 HE ARG 11 -8.018 2.997 -31.657 100 1HH1 ARG 11 1HH2 ARG 11 -10.305 3.913 -29.082 101 2HH1 ARG 11 2HH2 ARG 11 -10.830 5.350 -29.895 102 1HH2 ARG 11 1HH1 ARG 11 -8.609 4.978 -32.633 103 2HH2 ARG 11 2HH1 ARG 11 -9.743 6.027 -31.878 104 H VAL 12 H VAL 12 -4.433 -1.757 -27.507 105 HA VAL 12 HA VAL 12 -4.425 0.021 -25.180 106 HB VAL 12 HB VAL 12 -2.292 -1.190 -24.647 107 1HG1 VAL 12 1HG1 VAL 12 -3.425 -3.299 -24.081 108 2HG1 VAL 12 2HG1 VAL 12 -4.417 -1.873 -23.730 109 3HG1 VAL 12 3HG1 VAL 12 -4.777 -2.871 -25.153 110 1HG2 VAL 12 1HG2 VAL 12 -2.968 -3.003 -27.015 111 2HG2 VAL 12 2HG2 VAL 12 -1.620 -1.850 -26.979 112 3HG2 VAL 12 3HG2 VAL 12 -1.653 -3.205 -25.845 113 H GLN 13 H GLN 13 -3.367 0.265 -28.396 114 HA GLN 13 HA GLN 13 -2.020 2.777 -27.753 115 1HB GLN 13 1HB GLN 13 -0.606 0.488 -28.890 116 2HB GLN 13 2HB GLN 13 -0.865 1.665 -30.161 117 1HG GLN 13 1HG GLN 13 1.148 2.375 -29.390 118 2HG GLN 13 2HG GLN 13 0.102 3.404 -28.425 119 1HE2 GLN 13 2HE2 GLN 13 -0.569 2.047 -26.138 120 2HE2 GLN 13 1HE2 GLN 13 0.863 1.424 -25.374 121 H GLY 14 H GLY 14 -2.353 4.280 -29.582 122 1HA GLY 14 1HA GLY 14 -4.006 4.148 -31.760 123 2HA GLY 14 2HA GLY 14 -5.111 4.055 -30.368 124 H VAL 15 H VAL 15 -5.902 6.231 -30.897 125 HA VAL 15 HA VAL 15 -4.276 8.528 -31.011 126 HB VAL 15 HB VAL 15 -6.337 9.778 -30.465 127 1HG1 VAL 15 1HG1 VAL 15 -6.810 7.519 -32.463 128 2HG1 VAL 15 2HG1 VAL 15 -7.612 9.101 -32.426 129 3HG1 VAL 15 3HG1 VAL 15 -5.879 9.001 -32.771 130 1HG2 VAL 15 1HG2 VAL 15 -8.479 8.620 -30.141 131 2HG2 VAL 15 2HG2 VAL 15 -7.661 7.048 -30.078 132 3HG2 VAL 15 3HG2 VAL 15 -7.373 8.264 -28.813 133 H GLY 16 H GLY 16 -5.170 6.630 -28.177 134 1HA GLY 16 1HA GLY 16 -4.396 8.722 -26.276 135 2HA GLY 16 2HA GLY 16 -4.895 7.061 -25.928 136 H PHE 17 H PHE 17 -2.549 6.778 -28.288 137 HA PHE 17 HA PHE 17 -0.628 5.626 -28.201 138 1HB PHE 17 1HB PHE 17 0.078 7.985 -28.133 139 2HB PHE 17 2HB PHE 17 0.135 7.936 -26.383 140 HD1 PHE 17 HD1 PHE 17 1.453 5.635 -29.112 141 HD2 PHE 17 HD2 PHE 17 2.375 8.116 -25.691 142 HE1 PHE 17 HE1 PHE 17 3.819 4.925 -29.224 143 HE2 PHE 17 HE2 PHE 17 4.747 7.421 -25.843 144 HZ PHE 17 HZ PHE 17 5.474 5.818 -27.595 145 H ARG 18 H ARG 18 1.253 5.503 -25.792 146 HA ARG 18 HA ARG 18 -0.395 3.864 -23.931 147 1HB ARG 18 1HB ARG 18 2.000 3.739 -22.757 148 2HB ARG 18 2HB ARG 18 1.436 2.611 -23.945 149 1HG ARG 18 1HG ARG 18 2.720 3.902 -25.722 150 2HG ARG 18 2HG ARG 18 3.373 4.903 -24.415 151 1HD ARG 18 1HD ARG 18 4.200 2.744 -23.334 152 2HD ARG 18 2HD ARG 18 3.676 1.876 -24.778 153 HE ARG 18 HE ARG 18 6.053 3.500 -24.406 154 1HH1 ARG 18 1HH2 ARG 18 3.875 2.275 -27.012 155 2HH1 ARG 18 2HH2 ARG 18 5.097 2.451 -28.210 156 1HH2 ARG 18 1HH1 ARG 18 7.572 3.646 -25.970 157 2HH2 ARG 18 2HH1 ARG 18 7.244 3.245 -27.634 158 H TYR 19 H TYR 19 0.053 7.084 -24.448 159 HA TYR 19 HA TYR 19 0.727 8.082 -21.861 160 1HB TYR 19 1HB TYR 19 0.764 9.418 -23.950 161 2HB TYR 19 2HB TYR 19 -0.987 9.299 -24.065 162 HD1 TYR 19 HD1 TYR 19 1.825 10.699 -22.050 163 HD2 TYR 19 HD2 TYR 19 -2.431 10.749 -22.779 164 HE1 TYR 19 HE1 TYR 19 1.616 12.735 -20.657 165 HE2 TYR 19 HE2 TYR 19 -2.643 12.806 -21.424 166 HH TYR 19 HH TYR 19 -1.534 14.388 -20.118 167 H PHE 20 H PHE 20 -2.394 6.993 -23.306 168 HA PHE 20 HA PHE 20 -4.074 7.931 -21.325 169 1HB PHE 20 1HB PHE 20 -5.700 6.588 -22.175 170 2HB PHE 20 2HB PHE 20 -4.566 6.434 -23.497 171 HD1 PHE 20 HD1 PHE 20 -3.351 4.256 -23.840 172 HD2 PHE 20 HD2 PHE 20 -6.117 4.748 -20.567 173 HE1 PHE 20 HE1 PHE 20 -3.472 1.798 -23.546 174 HE2 PHE 20 HE2 PHE 20 -6.261 2.278 -20.302 175 HZ PHE 20 HZ PHE 20 -4.943 0.804 -21.813 176 H VAL 21 H VAL 21 -1.944 5.103 -21.151 177 HA VAL 21 HA VAL 21 -3.025 3.959 -18.810 178 HB VAL 21 HB VAL 21 -0.110 3.950 -19.743 179 1HG1 VAL 21 1HG1 VAL 21 -1.758 1.974 -18.153 180 2HG1 VAL 21 2HG1 VAL 21 -0.061 1.754 -18.640 181 3HG1 VAL 21 3HG1 VAL 21 -0.483 3.034 -17.489 182 1HG2 VAL 21 1HG2 VAL 21 -0.783 1.794 -20.922 183 2HG2 VAL 21 2HG2 VAL 21 -2.469 2.201 -20.580 184 3HG2 VAL 21 3HG2 VAL 21 -1.491 3.238 -21.643 185 H GLN 22 H GLN 22 -0.539 6.534 -19.311 186 HA GLN 22 HA GLN 22 -0.195 6.752 -16.427 187 1HB GLN 22 1HB GLN 22 0.943 8.525 -18.587 188 2HB GLN 22 2HB GLN 22 1.441 8.428 -16.899 189 1HG GLN 22 1HG GLN 22 1.857 6.351 -19.077 190 2HG GLN 22 2HG GLN 22 3.065 7.297 -18.227 191 1HE2 GLN 22 2HE2 GLN 22 4.314 5.464 -17.509 192 2HE2 GLN 22 1HE2 GLN 22 3.649 4.334 -16.330 193 H MET 23 H MET 23 -2.349 8.196 -18.736 194 HA MET 23 HA MET 23 -3.122 10.436 -17.027 195 1HB MET 23 1HB MET 23 -4.916 8.823 -18.894 196 2HB MET 23 2HB MET 23 -5.311 10.341 -18.107 197 1HG MET 23 1HG MET 23 -3.336 11.365 -19.346 198 2HG MET 23 2HG MET 23 -3.303 9.897 -20.325 199 1HE MET 23 1HE MET 23 -6.366 9.116 -20.562 200 2HE MET 23 2HE MET 23 -7.046 10.094 -21.877 201 3HE MET 23 3HE MET 23 -5.506 9.262 -22.120 202 H GLU 24 H GLU 24 -4.285 7.030 -17.356 203 HA GLU 24 HA GLU 24 -6.126 7.258 -15.187 204 1HB GLU 24 1HB GLU 24 -4.899 4.809 -16.519 205 2HB GLU 24 2HB GLU 24 -6.271 4.780 -15.409 206 1HG GLU 24 1HG GLU 24 -6.241 6.218 -18.120 207 2HG GLU 24 2HG GLU 24 -6.966 4.653 -17.790 208 H ALA 25 H ALA 25 -2.696 6.353 -15.330 209 HA ALA 25 HA ALA 25 -2.420 5.463 -12.637 210 1HB ALA 25 1HB ALA 25 -0.042 5.927 -12.952 211 2HB ALA 25 2HB ALA 25 -0.693 5.211 -14.442 212 3HB ALA 25 3HB ALA 25 -0.379 6.966 -14.331 213 H ASP 26 H ASP 26 -2.012 8.761 -14.093 214 HA ASP 26 HA ASP 26 -1.466 10.132 -11.676 215 1HB ASP 26 1HB ASP 26 -1.115 11.168 -13.851 216 2HB ASP 26 2HB ASP 26 -2.831 11.076 -14.226 217 H LYS 27 H LYS 27 -4.581 9.399 -13.282 218 HA LYS 27 HA LYS 27 -6.285 10.657 -11.428 219 1HB LYS 27 1HB LYS 27 -6.963 10.007 -13.615 220 2HB LYS 27 2HB LYS 27 -6.623 8.318 -13.323 221 1HG LYS 27 1HG LYS 27 -8.703 9.638 -11.598 222 2HG LYS 27 2HG LYS 27 -9.098 9.373 -13.286 223 1HD LYS 27 1HD LYS 27 -8.065 7.161 -11.490 224 2HD LYS 27 2HD LYS 27 -9.785 7.504 -11.679 225 1HE LYS 27 1HE LYS 27 -7.851 6.703 -13.901 226 2HE LYS 27 2HE LYS 27 -8.939 5.602 -13.067 227 1HZ LYS 27 1HZ LYS 27 -9.795 6.382 -15.201 228 2HZ LYS 27 2HZ LYS 27 -10.818 6.797 -13.974 229 3HZ LYS 27 3HZ LYS 27 -9.842 7.919 -14.678 230 H ARG 28 H ARG 28 -4.361 7.780 -10.885 231 HA ARG 28 HA ARG 28 -5.748 7.494 -8.254 232 1HB ARG 28 1HB ARG 28 -4.331 5.306 -9.811 233 2HB ARG 28 2HB ARG 28 -5.009 5.151 -8.197 234 1HG ARG 28 1HG ARG 28 -6.500 5.438 -10.797 235 2HG ARG 28 2HG ARG 28 -6.472 4.076 -9.697 236 1HD ARG 28 1HD ARG 28 -7.902 6.717 -9.338 237 2HD ARG 28 2HD ARG 28 -8.599 5.129 -9.486 238 HE ARG 28 HE ARG 28 -7.776 4.577 -7.254 239 1HH1 ARG 28 1HH2 ARG 28 -7.862 8.074 -8.054 240 2HH1 ARG 28 2HH2 ARG 28 -8.159 8.542 -6.420 241 1HH2 ARG 28 1HH1 ARG 28 -8.148 5.253 -5.082 242 2HH2 ARG 28 2HH1 ARG 28 -8.247 6.934 -4.720 243 H LYS 29 H LYS 29 -3.349 9.181 -9.300 244 HA LYS 29 HA LYS 29 -1.248 9.739 -8.693 245 1HB LYS 29 1HB LYS 29 -2.310 9.037 -5.933 246 2HB LYS 29 2HB LYS 29 -0.914 10.052 -6.238 247 1HG LYS 29 1HG LYS 29 -3.724 10.805 -7.162 248 2HG LYS 29 2HG LYS 29 -3.061 11.193 -5.587 249 1HD LYS 29 1HD LYS 29 -2.733 13.143 -6.784 250 2HD LYS 29 2HD LYS 29 -1.136 12.388 -6.770 251 1HE LYS 29 1HE LYS 29 -1.570 11.535 -9.092 252 2HE LYS 29 2HE LYS 29 -3.162 12.285 -9.057 253 1HZ LYS 29 1HZ LYS 29 -2.096 14.432 -8.963 254 2HZ LYS 29 2HZ LYS 29 -0.601 13.761 -8.875 255 3HZ LYS 29 3HZ LYS 29 -1.501 13.569 -10.232 256 H LEU 30 H LEU 30 -1.338 7.096 -9.645 257 HA LEU 30 HA LEU 30 0.522 5.483 -8.016 258 1HB LEU 30 1HB LEU 30 -0.554 5.239 -10.858 259 2HB LEU 30 2HB LEU 30 0.596 4.105 -10.151 260 HG LEU 30 HG LEU 30 -2.239 4.624 -9.169 261 1HD1 LEU 30 1HD1 LEU 30 -2.623 2.320 -9.957 262 2HD1 LEU 30 2HD1 LEU 30 -2.089 3.371 -11.281 263 3HD1 LEU 30 3HD1 LEU 30 -0.940 2.238 -10.538 264 1HD2 LEU 30 1HD2 LEU 30 -0.921 4.039 -7.231 265 2HD2 LEU 30 2HD2 LEU 30 -1.810 2.596 -7.725 266 3HD2 LEU 30 3HD2 LEU 30 -0.089 2.742 -8.125 267 H ALA 31 H ALA 31 2.649 4.849 -8.946 268 HA ALA 31 HA ALA 31 3.889 6.835 -10.757 269 1HB ALA 31 1HB ALA 31 4.357 7.691 -8.496 270 2HB ALA 31 2HB ALA 31 4.919 6.083 -7.976 271 3HB ALA 31 3HB ALA 31 5.833 6.993 -9.190 272 H GLY 32 H GLY 32 5.222 5.777 -12.214 273 1HA GLY 32 1HA GLY 32 6.624 3.345 -11.878 274 2HA GLY 32 2HA GLY 32 4.973 2.972 -12.397 275 H TRP 33 H TRP 33 5.962 2.096 -14.381 276 HA TRP 33 HA TRP 33 6.127 4.256 -16.362 277 1HB TRP 33 1HB TRP 33 7.995 3.249 -17.549 278 2HB TRP 33 2HB TRP 33 8.434 3.794 -15.946 279 HD1 TRP 33 HD1 TRP 33 7.579 0.460 -17.729 280 HE1 TRP 33 HE1 TRP 33 9.013 -1.401 -16.745 281 HE3 TRP 33 HE3 TRP 33 9.864 3.111 -13.986 282 HZ2 TRP 33 HZ2 TRP 33 11.007 -1.692 -14.651 283 HZ3 TRP 33 HZ3 TRP 33 11.535 2.017 -12.521 284 HH2 TRP 33 HH2 TRP 33 12.122 -0.379 -12.849 285 H VAL 34 H VAL 34 5.787 3.544 -18.575 286 HA VAL 34 HA VAL 34 4.413 0.918 -18.876 287 HB VAL 34 HB VAL 34 2.720 2.684 -18.630 288 1HG1 VAL 34 1HG1 VAL 34 3.857 3.870 -21.188 289 2HG1 VAL 34 2HG1 VAL 34 2.382 4.387 -20.350 290 3HG1 VAL 34 3HG1 VAL 34 3.961 4.606 -19.584 291 1HG2 VAL 34 1HG2 VAL 34 2.834 1.555 -21.460 292 2HG2 VAL 34 2HG2 VAL 34 2.233 0.710 -20.020 293 3HG2 VAL 34 3HG2 VAL 34 1.409 2.158 -20.617 294 H LYS 35 H LYS 35 4.633 -0.025 -20.928 295 HA LYS 35 HA LYS 35 6.745 0.998 -22.745 296 1HB LYS 35 1HB LYS 35 7.772 -0.181 -20.775 297 2HB LYS 35 2HB LYS 35 6.744 -1.572 -21.098 298 1HG LYS 35 1HG LYS 35 7.961 -1.921 -23.271 299 2HG LYS 35 2HG LYS 35 8.966 -0.514 -22.910 300 1HD LYS 35 1HD LYS 35 10.170 -2.546 -22.356 301 2HD LYS 35 2HD LYS 35 9.780 -1.703 -20.843 302 1HE LYS 35 1HE LYS 35 7.800 -3.189 -20.534 303 2HE LYS 35 2HE LYS 35 8.146 -3.987 -22.065 304 1HZ LYS 35 1HZ LYS 35 8.858 -5.230 -20.180 305 2HZ LYS 35 2HZ LYS 35 10.179 -4.848 -21.090 306 3HZ LYS 35 3HZ LYS 35 9.897 -4.059 -19.676 307 H ASN 36 H ASN 36 6.874 -0.531 -24.674 308 HA ASN 36 HA ASN 36 4.436 -2.198 -25.103 309 1HB ASN 36 1HB ASN 36 4.386 -0.075 -26.430 310 2HB ASN 36 2HB ASN 36 5.902 -0.542 -27.202 311 1HD2 ASN 36 2HD2 ASN 36 2.721 -0.358 -27.843 312 2HD2 ASN 36 1HD2 ASN 36 2.513 -1.767 -28.866 313 H ARG 37 H ARG 37 4.997 -4.309 -25.727 314 HA ARG 37 HA ARG 37 7.929 -4.852 -25.774 315 1HB ARG 37 1HB ARG 37 7.609 -6.735 -24.319 316 2HB ARG 37 2HB ARG 37 6.999 -5.277 -23.536 317 1HG ARG 37 1HG ARG 37 4.725 -5.910 -23.894 318 2HG ARG 37 2HG ARG 37 5.181 -7.293 -24.898 319 1HD ARG 37 1HD ARG 37 5.837 -6.969 -21.931 320 2HD ARG 37 2HD ARG 37 4.528 -7.927 -22.590 321 HE ARG 37 HE ARG 37 6.060 -9.438 -23.603 322 1HH1 ARG 37 1HH2 ARG 37 7.536 -7.353 -21.071 323 2HH1 ARG 37 2HH2 ARG 37 8.928 -8.365 -20.935 324 1HH2 ARG 37 1HH1 ARG 37 7.916 -10.740 -23.345 325 2HH2 ARG 37 2HH1 ARG 37 9.123 -10.323 -22.198 326 H ASP 38 H ASP 38 8.628 -6.670 -26.860 327 HA ASP 38 HA ASP 38 7.603 -6.857 -29.436 328 1HB ASP 38 1HB ASP 38 9.952 -7.184 -28.808 329 2HB ASP 38 2HB ASP 38 9.543 -8.684 -27.974 330 H ASP 39 H ASP 39 6.718 -8.782 -26.686 331 HA ASP 39 HA ASP 39 5.656 -11.108 -27.933 332 1HB ASP 39 1HB ASP 39 6.036 -10.877 -25.522 333 2HB ASP 39 2HB ASP 39 4.814 -9.607 -25.430 334 H GLY 40 H GLY 40 4.579 -7.817 -28.144 335 1HA GLY 40 1HA GLY 40 2.902 -7.046 -29.596 336 2HA GLY 40 2HA GLY 40 2.120 -8.637 -29.598 337 H ARG 41 H ARG 41 3.214 -6.404 -26.992 338 HA ARG 41 HA ARG 41 0.522 -6.357 -25.733 339 1HB ARG 41 1HB ARG 41 2.812 -8.055 -24.943 340 2HB ARG 41 2HB ARG 41 2.539 -6.828 -23.732 341 1HG ARG 41 1HG ARG 41 1.426 -8.817 -23.094 342 2HG ARG 41 2HG ARG 41 0.217 -7.583 -23.433 343 1HD ARG 41 1HD ARG 41 -0.254 -8.637 -25.612 344 2HD ARG 41 2HD ARG 41 1.016 -9.820 -25.352 345 HE ARG 41 HE ARG 41 -1.631 -9.654 -24.006 346 1HH1 ARG 41 1HH2 ARG 41 1.476 -11.460 -24.216 347 2HH1 ARG 41 2HH2 ARG 41 0.866 -12.763 -23.254 348 1HH2 ARG 41 1HH1 ARG 41 -2.383 -11.334 -22.877 349 2HH2 ARG 41 2HH1 ARG 41 -1.399 -12.723 -22.481 350 H VAL 42 H VAL 42 0.374 -4.642 -24.226 351 HA VAL 42 HA VAL 42 2.683 -2.753 -24.055 352 HB VAL 42 HB VAL 42 -0.296 -2.443 -23.681 353 1HG1 VAL 42 1HG1 VAL 42 0.055 -0.172 -22.772 354 2HG1 VAL 42 2HG1 VAL 42 0.647 -1.413 -21.662 355 3HG1 VAL 42 3HG1 VAL 42 1.800 -0.489 -22.648 356 1HG2 VAL 42 1HG2 VAL 42 -0.009 -0.590 -25.217 357 2HG2 VAL 42 2HG2 VAL 42 1.766 -0.788 -25.190 358 3HG2 VAL 42 3HG2 VAL 42 0.731 -2.031 -25.917 359 H GLU 43 H GLU 43 3.416 -2.337 -21.910 360 HA GLU 43 HA GLU 43 2.606 -4.318 -19.856 361 1HB GLU 43 1HB GLU 43 4.525 -5.228 -21.078 362 2HB GLU 43 2HB GLU 43 5.435 -3.732 -20.839 363 1HG GLU 43 1HG GLU 43 5.624 -4.097 -18.482 364 2HG GLU 43 2HG GLU 43 4.366 -5.337 -18.491 365 H ILE 44 H ILE 44 2.745 -3.491 -17.761 366 HA ILE 44 HA ILE 44 3.487 -0.636 -17.439 367 HB ILE 44 HB ILE 44 1.054 -1.791 -16.125 368 1HG1 ILE 44 1HG1 ILE 44 0.783 -0.713 -18.953 369 2HG1 ILE 44 2HG1 ILE 44 0.608 -2.408 -18.492 370 1HG2 ILE 44 1HG2 ILE 44 0.337 0.547 -16.091 371 2HG2 ILE 44 2HG2 ILE 44 2.015 0.474 -15.581 372 3HG2 ILE 44 3HG2 ILE 44 1.635 0.993 -17.224 373 1HD1 ILE 44 1HD1 ILE 44 -1.213 -0.170 -17.580 374 2HD1 ILE 44 2HD1 ILE 44 -1.576 -1.473 -18.716 375 3HD1 ILE 44 3HD1 ILE 44 -1.285 -1.839 -17.005 376 H LEU 45 H LEU 45 4.363 -0.233 -15.347 377 HA LEU 45 HA LEU 45 4.031 -2.279 -13.241 378 1HB LEU 45 1HB LEU 45 5.944 -3.142 -14.437 379 2HB LEU 45 2HB LEU 45 6.723 -1.567 -14.474 380 HG LEU 45 HG LEU 45 6.051 -2.460 -11.714 381 1HD1 LEU 45 1HD1 LEU 45 6.523 -4.672 -12.656 382 2HD1 LEU 45 2HD1 LEU 45 8.061 -4.086 -13.327 383 3HD1 LEU 45 3HD1 LEU 45 7.818 -4.162 -11.565 384 1HD2 LEU 45 1HD2 LEU 45 8.678 -1.660 -13.047 385 2HD2 LEU 45 2HD2 LEU 45 7.541 -0.530 -12.293 386 3HD2 LEU 45 3HD2 LEU 45 8.366 -1.748 -11.302 387 H ALA 46 H ALA 46 3.739 -1.175 -11.319 388 HA ALA 46 HA ALA 46 4.885 1.471 -10.910 389 1HB ALA 46 1HB ALA 46 1.854 1.097 -11.059 390 2HB ALA 46 2HB ALA 46 2.695 2.592 -10.668 391 3HB ALA 46 3HB ALA 46 2.809 1.931 -12.311 392 H GLU 47 H GLU 47 4.496 2.265 -8.805 393 HA GLU 47 HA GLU 47 3.704 0.244 -6.785 394 1HB GLU 47 1HB GLU 47 4.972 1.534 -5.192 395 2HB GLU 47 2HB GLU 47 5.998 0.975 -6.505 396 1HG GLU 47 1HG GLU 47 6.136 3.185 -7.461 397 2HG GLU 47 2HG GLU 47 4.844 3.799 -6.425 398 H GLY 48 H GLY 48 2.382 1.004 -4.981 399 1HA GLY 48 1HA GLY 48 1.353 3.553 -4.583 400 2HA GLY 48 2HA GLY 48 0.245 2.773 -5.720 401 HA PRO 49 HA PRO 49 -0.981 1.160 -1.544 402 1HB PRO 49 1HB PRO 49 -3.332 2.489 -1.138 403 2HB PRO 49 2HB PRO 49 -1.745 3.155 -0.642 404 1HG PRO 49 1HG PRO 49 -3.332 3.771 -3.135 405 2HG PRO 49 2HG PRO 49 -2.530 4.923 -2.027 406 1HD PRO 49 1HD PRO 49 -1.361 4.077 -4.376 407 2HD PRO 49 2HD PRO 49 -0.415 4.474 -2.923 408 H GLU 50 H GLU 50 -2.874 -0.263 -1.246 409 HA GLU 50 HA GLU 50 -3.290 -1.882 -3.471 410 1HB GLU 50 1HB GLU 50 -3.561 -2.459 -0.997 411 2HB GLU 50 2HB GLU 50 -5.129 -1.663 -1.039 412 1HG GLU 50 1HG GLU 50 -5.871 -3.263 -2.819 413 2HG GLU 50 2HG GLU 50 -4.293 -4.050 -2.753 414 H ASN 51 H ASN 51 -5.570 0.543 -2.079 415 HA ASN 51 HA ASN 51 -7.699 0.039 -3.892 416 1HB ASN 51 1HB ASN 51 -8.112 1.383 -1.902 417 2HB ASN 51 2HB ASN 51 -6.905 2.580 -2.388 418 1HD2 ASN 51 2HD2 ASN 51 -10.167 1.300 -3.163 419 2HD2 ASN 51 1HD2 ASN 51 -10.626 2.642 -4.177 420 H ALA 52 H ALA 52 -4.871 2.237 -4.191 421 HA ALA 52 HA ALA 52 -5.836 3.558 -6.557 422 1HB ALA 52 1HB ALA 52 -3.441 4.224 -6.809 423 2HB ALA 52 2HB ALA 52 -4.068 4.550 -5.188 424 3HB ALA 52 3HB ALA 52 -3.013 3.138 -5.482 425 H LEU 53 H LEU 53 -3.627 0.796 -5.989 426 HA LEU 53 HA LEU 53 -3.027 0.308 -8.728 427 1HB LEU 53 1HB LEU 53 -2.996 -1.497 -6.281 428 2HB LEU 53 2HB LEU 53 -2.325 -1.971 -7.839 429 HG LEU 53 HG LEU 53 -1.374 0.520 -6.348 430 1HD1 LEU 53 1HD1 LEU 53 -0.270 -2.311 -6.234 431 2HD1 LEU 53 2HD1 LEU 53 0.506 -0.853 -5.560 432 3HD1 LEU 53 3HD1 LEU 53 -1.044 -1.403 -4.911 433 1HD2 LEU 53 1HD2 LEU 53 -0.764 0.375 -8.781 434 2HD2 LEU 53 2HD2 LEU 53 0.625 0.344 -7.693 435 3HD2 LEU 53 3HD2 LEU 53 0.067 -1.159 -8.433 436 H GLN 54 H GLN 54 -5.478 -1.191 -6.585 437 HA GLN 54 HA GLN 54 -6.479 -2.914 -8.614 438 1HB GLN 54 1HB GLN 54 -7.577 -1.954 -5.942 439 2HB GLN 54 2HB GLN 54 -8.503 -3.034 -6.977 440 1HG GLN 54 1HG GLN 54 -5.683 -3.641 -5.972 441 2HG GLN 54 2HG GLN 54 -7.160 -4.233 -5.222 442 1HE2 GLN 54 2HE2 GLN 54 -4.789 -5.649 -6.738 443 2HE2 GLN 54 1HE2 GLN 54 -5.640 -6.652 -7.892 444 H SER 55 H SER 55 -7.619 0.313 -7.539 445 HA SER 55 HA SER 55 -9.907 0.358 -9.263 446 1HB SER 55 1HB SER 55 -8.233 2.723 -8.331 447 2HB SER 55 2HB SER 55 -9.898 2.774 -8.941 448 HG SER 55 HG SER 55 -8.888 1.675 -6.544 449 H PHE 56 H PHE 56 -6.476 1.312 -9.776 450 HA PHE 56 HA PHE 56 -6.763 2.269 -12.430 451 1HB PHE 56 1HB PHE 56 -4.777 2.689 -11.151 452 2HB PHE 56 2HB PHE 56 -4.465 0.977 -10.926 453 HD1 PHE 56 HD1 PHE 56 -4.034 3.825 -13.144 454 HD2 PHE 56 HD2 PHE 56 -3.770 -0.476 -12.856 455 HE1 PHE 56 HE1 PHE 56 -2.611 3.759 -15.167 456 HE2 PHE 56 HE2 PHE 56 -2.398 -0.518 -14.921 457 HZ PHE 56 HZ PHE 56 -1.785 1.593 -16.038 458 H VAL 57 H VAL 57 -6.011 -1.103 -11.219 459 HA VAL 57 HA VAL 57 -5.827 -2.274 -13.766 460 HB VAL 57 HB VAL 57 -6.706 -3.360 -11.056 461 1HG1 VAL 57 1HG1 VAL 57 -6.364 -5.659 -11.949 462 2HG1 VAL 57 2HG1 VAL 57 -7.774 -4.861 -12.643 463 3HG1 VAL 57 3HG1 VAL 57 -6.279 -4.984 -13.595 464 1HG2 VAL 57 1HG2 VAL 57 -4.267 -2.666 -11.481 465 2HG2 VAL 57 2HG2 VAL 57 -4.532 -4.319 -10.921 466 3HG2 VAL 57 3HG2 VAL 57 -4.201 -4.007 -12.637 467 H GLU 58 H GLU 58 -8.782 -1.782 -11.734 468 HA GLU 58 HA GLU 58 -10.575 -2.937 -13.595 469 1HB GLU 58 1HB GLU 58 -10.976 -0.775 -11.490 470 2HB GLU 58 2HB GLU 58 -12.299 -1.515 -12.390 471 1HG GLU 58 1HG GLU 58 -10.342 -3.071 -10.648 472 2HG GLU 58 2HG GLU 58 -11.902 -2.474 -10.103 473 H ALA 59 H ALA 59 -9.280 0.365 -13.361 474 HA ALA 59 HA ALA 59 -10.962 1.512 -15.368 475 1HB ALA 59 1HB ALA 59 -8.154 2.380 -14.543 476 2HB ALA 59 2HB ALA 59 -9.376 3.346 -15.380 477 3HB ALA 59 3HB ALA 59 -9.655 2.826 -13.706 478 H VAL 60 H VAL 60 -7.663 0.009 -15.626 479 HA VAL 60 HA VAL 60 -7.428 0.385 -18.467 480 HB VAL 60 HB VAL 60 -6.276 -1.950 -16.856 481 1HG1 VAL 60 1HG1 VAL 60 -4.517 -1.903 -18.598 482 2HG1 VAL 60 2HG1 VAL 60 -6.109 -2.211 -19.298 483 3HG1 VAL 60 3HG1 VAL 60 -5.377 -0.598 -19.443 484 1HG2 VAL 60 1HG2 VAL 60 -5.155 0.862 -17.225 485 2HG2 VAL 60 2HG2 VAL 60 -5.443 -0.024 -15.707 486 3HG2 VAL 60 3HG2 VAL 60 -4.168 -0.546 -16.774 487 H LYS 61 H LYS 61 -8.663 -2.374 -16.482 488 HA LYS 61 HA LYS 61 -9.356 -4.117 -18.554 489 1HB LYS 61 1HB LYS 61 -9.221 -4.592 -16.110 490 2HB LYS 61 2HB LYS 61 -10.735 -3.717 -15.869 491 1HG LYS 61 1HG LYS 61 -11.870 -5.379 -17.391 492 2HG LYS 61 2HG LYS 61 -10.355 -6.291 -17.463 493 1HD LYS 61 1HD LYS 61 -11.931 -5.629 -14.933 494 2HD LYS 61 2HD LYS 61 -11.998 -7.174 -15.788 495 1HE LYS 61 1HE LYS 61 -9.682 -7.665 -15.285 496 2HE LYS 61 2HE LYS 61 -9.408 -6.034 -14.652 497 1HZ LYS 61 1HZ LYS 61 -9.738 -7.647 -12.880 498 2HZ LYS 61 2HZ LYS 61 -10.885 -6.476 -12.846 499 3HZ LYS 61 3HZ LYS 61 -11.247 -7.985 -13.409 500 H ASN 62 H ASN 62 -11.334 -1.514 -17.071 501 HA ASN 62 HA ASN 62 -13.700 -2.042 -18.578 502 1HB ASN 62 1HB ASN 62 -13.653 -0.713 -16.481 503 2HB ASN 62 2HB ASN 62 -12.723 0.547 -17.300 504 1HD2 ASN 62 2HD2 ASN 62 -13.977 2.250 -18.035 505 2HD2 ASN 62 1HD2 ASN 62 -15.665 2.118 -18.497 506 H GLY 63 H GLY 63 -10.688 -0.393 -19.460 507 1HA GLY 63 1HA GLY 63 -10.082 0.843 -21.271 508 2HA GLY 63 2HA GLY 63 -11.383 0.017 -22.160 509 H SER 64 H SER 64 -11.425 2.312 -19.359 510 HA SER 64 HA SER 64 -13.768 3.592 -20.071 511 1HB SER 64 1HB SER 64 -11.508 4.871 -18.503 512 2HB SER 64 2HB SER 64 -13.247 5.157 -18.354 513 HG SER 64 HG SER 64 -12.344 3.728 -16.753 514 HA PRO 65 HA PRO 65 -11.586 7.097 -22.416 515 1HB PRO 65 1HB PRO 65 -8.948 7.125 -23.056 516 2HB PRO 65 2HB PRO 65 -9.534 7.525 -21.422 517 1HG PRO 65 1HG PRO 65 -8.430 4.878 -22.397 518 2HG PRO 65 2HG PRO 65 -8.001 5.809 -20.920 519 1HD PRO 65 1HD PRO 65 -9.808 3.735 -20.942 520 2HD PRO 65 2HD PRO 65 -9.894 5.100 -19.794 521 H PHE 66 H PHE 66 -10.151 7.239 -24.731 522 HA PHE 66 HA PHE 66 -11.484 5.690 -26.667 523 1HB PHE 66 1HB PHE 66 -9.095 6.404 -27.883 524 2HB PHE 66 2HB PHE 66 -10.560 7.359 -27.826 525 HD1 PHE 66 HD1 PHE 66 -7.334 6.786 -25.952 526 HD2 PHE 66 HD2 PHE 66 -10.583 9.498 -26.809 527 HE1 PHE 66 HE1 PHE 66 -6.225 8.556 -24.610 528 HE2 PHE 66 HE2 PHE 66 -9.436 11.274 -25.515 529 HZ PHE 66 HZ PHE 66 -7.259 10.804 -24.406 530 H SER 67 H SER 67 -8.336 5.087 -25.038 531 HA SER 67 HA SER 67 -7.775 2.722 -26.626 532 1HB SER 67 1HB SER 67 -6.541 3.723 -24.040 533 2HB SER 67 2HB SER 67 -5.831 2.555 -25.166 534 HG SER 67 HG SER 67 -4.942 4.519 -25.647 535 H LYS 68 H LYS 68 -7.885 0.537 -25.855 536 HA LYS 68 HA LYS 68 -9.219 -0.076 -23.356 537 1HB LYS 68 1HB LYS 68 -11.247 -1.113 -24.414 538 2HB LYS 68 2HB LYS 68 -11.181 0.631 -24.440 539 1HG LYS 68 1HG LYS 68 -12.086 0.049 -26.491 540 2HG LYS 68 2HG LYS 68 -10.461 0.583 -26.830 541 1HD LYS 68 1HD LYS 68 -11.026 -1.324 -28.224 542 2HD LYS 68 2HD LYS 68 -9.732 -1.764 -27.137 543 1HE LYS 68 1HE LYS 68 -11.269 -3.606 -27.262 544 2HE LYS 68 2HE LYS 68 -11.380 -2.926 -25.643 545 1HZ LYS 68 1HZ LYS 68 -13.431 -1.796 -26.349 546 2HZ LYS 68 2HZ LYS 68 -13.300 -2.426 -27.854 547 3HZ LYS 68 3HZ LYS 68 -13.558 -3.401 -26.579 548 H VAL 69 H VAL 69 -9.598 -2.476 -23.126 549 HA VAL 69 HA VAL 69 -7.384 -3.886 -24.526 550 HB VAL 69 HB VAL 69 -7.300 -5.333 -22.571 551 1HG1 VAL 69 1HG1 VAL 69 -6.226 -3.769 -21.070 552 2HG1 VAL 69 2HG1 VAL 69 -5.870 -3.341 -22.747 553 3HG1 VAL 69 3HG1 VAL 69 -7.055 -2.389 -21.823 554 1HG2 VAL 69 1HG2 VAL 69 -9.277 -3.447 -21.220 555 2HG2 VAL 69 2HG2 VAL 69 -9.625 -5.119 -21.717 556 3HG2 VAL 69 3HG2 VAL 69 -8.404 -4.807 -20.482 557 H THR 70 H THR 70 -7.647 -6.065 -25.109 558 HA THR 70 HA THR 70 -10.345 -7.275 -24.842 559 HB THR 70 HB THR 70 -9.799 -8.517 -26.991 560 HG1 THR 70 HG1 THR 70 -7.648 -8.108 -27.279 561 1HG2 THR 70 1HG2 THR 70 -10.043 -5.493 -27.304 562 2HG2 THR 70 2HG2 THR 70 -10.538 -6.739 -28.469 563 3HG2 THR 70 3HG2 THR 70 -11.391 -6.590 -26.923 564 H ASP 71 H ASP 71 -7.094 -7.277 -23.911 565 HA ASP 71 HA ASP 71 -7.234 -9.984 -22.766 566 1HB ASP 71 1HB ASP 71 -6.059 -10.486 -24.785 567 2HB ASP 71 2HB ASP 71 -5.222 -8.936 -24.779 568 H ILE 72 H ILE 72 -6.200 -9.972 -20.760 569 HA ILE 72 HA ILE 72 -4.364 -7.865 -20.007 570 HB ILE 72 HB ILE 72 -6.440 -6.692 -19.631 571 1HG1 ILE 72 1HG1 ILE 72 -5.549 -7.635 -16.884 572 2HG1 ILE 72 2HG1 ILE 72 -4.527 -6.635 -17.905 573 1HG2 ILE 72 1HG2 ILE 72 -8.042 -8.562 -19.494 574 2HG2 ILE 72 2HG2 ILE 72 -7.423 -8.976 -17.881 575 3HG2 ILE 72 3HG2 ILE 72 -8.243 -7.431 -18.166 576 1HD1 ILE 72 1HD1 ILE 72 -6.314 -4.879 -17.968 577 2HD1 ILE 72 2HD1 ILE 72 -7.267 -5.860 -16.827 578 3HD1 ILE 72 3HD1 ILE 72 -5.695 -5.212 -16.340 579 H SER 73 H SER 73 -2.992 -8.565 -18.445 580 HA SER 73 HA SER 73 -3.669 -10.878 -16.732 581 1HB SER 73 1HB SER 73 -1.083 -10.548 -18.330 582 2HB SER 73 2HB SER 73 -1.411 -11.810 -17.130 583 HG SER 73 HG SER 73 -1.746 -12.560 -19.253 584 H VAL 74 H VAL 74 -2.707 -10.646 -14.671 585 HA VAL 74 HA VAL 74 -1.219 -8.134 -14.122 586 HB VAL 74 HB VAL 74 -3.728 -9.090 -12.669 587 1HG1 VAL 74 1HG1 VAL 74 -3.611 -6.857 -11.528 588 2HG1 VAL 74 2HG1 VAL 74 -2.278 -7.926 -11.109 589 3HG1 VAL 74 3HG1 VAL 74 -2.010 -6.603 -12.254 590 1HG2 VAL 74 1HG2 VAL 74 -3.404 -6.770 -14.612 591 2HG2 VAL 74 2HG2 VAL 74 -4.447 -8.196 -14.790 592 3HG2 VAL 74 3HG2 VAL 74 -4.803 -7.010 -13.543 593 H THR 75 H THR 75 0.175 -8.296 -12.432 594 HA THR 75 HA THR 75 0.096 -10.604 -10.594 595 HB THR 75 HB THR 75 2.646 -9.384 -11.749 596 HG1 THR 75 HG1 THR 75 1.564 -10.587 -13.325 597 1HG2 THR 75 1HG2 THR 75 2.188 -11.865 -10.030 598 2HG2 THR 75 2HG2 THR 75 3.739 -11.397 -10.764 599 3HG2 THR 75 3HG2 THR 75 3.005 -10.364 -9.536 600 H GLU 76 H GLU 76 0.823 -9.863 -8.425 601 HA GLU 76 HA GLU 76 1.020 -6.928 -8.109 602 1HB GLU 76 1HB GLU 76 -1.414 -7.911 -7.905 603 2HB GLU 76 2HB GLU 76 -0.829 -8.572 -6.374 604 1HG GLU 76 1HG GLU 76 -0.094 -6.147 -5.824 605 2HG GLU 76 2HG GLU 76 -1.004 -5.658 -7.260 606 H SER 77 H SER 77 2.157 -6.333 -6.248 607 HA SER 77 HA SER 77 3.713 -8.452 -4.857 608 1HB SER 77 1HB SER 77 4.861 -6.125 -6.462 609 2HB SER 77 2HB SER 77 5.783 -7.375 -5.609 610 HG SER 77 HG SER 77 5.633 -7.790 -7.847 611 H ARG 78 H ARG 78 5.353 -7.193 -3.321 612 HA ARG 78 HA ARG 78 3.872 -4.993 -1.933 613 1HB ARG 78 1HB ARG 78 5.298 -7.276 -0.521 614 2HB ARG 78 2HB ARG 78 4.200 -6.066 0.164 615 1HG ARG 78 1HG ARG 78 3.336 -8.313 -1.719 616 2HG ARG 78 2HG ARG 78 3.259 -8.376 0.043 617 1HD ARG 78 1HD ARG 78 1.727 -6.533 0.149 618 2HD ARG 78 2HD ARG 78 1.924 -6.201 -1.565 619 HE ARG 78 HE ARG 78 0.503 -8.530 -0.362 620 1HH1 ARG 78 1HH1 ARG 78 1.096 -6.549 -3.314 621 2HH1 ARG 78 2HH1 ARG 78 -0.496 -6.952 -3.941 622 1HH2 ARG 78 1HH2 ARG 78 -1.537 -9.048 -1.446 623 2HH2 ARG 78 2HH2 ARG 78 -1.863 -8.287 -2.987 624 H SER 79 H SER 79 6.007 -4.693 -3.808 625 HA SER 79 HA SER 79 8.309 -3.955 -2.127 626 1HB SER 79 1HB SER 79 8.396 -5.377 -4.814 627 2HB SER 79 2HB SER 79 9.775 -4.955 -3.783 628 HG SER 79 HG SER 79 9.144 -7.144 -3.536 629 H LEU 80 H LEU 80 8.242 -1.802 -2.227 630 HA LEU 80 HA LEU 80 7.287 -0.245 -4.434 631 1HB LEU 80 1HB LEU 80 9.179 0.606 -2.201 632 2HB LEU 80 2HB LEU 80 8.201 1.660 -3.217 633 HG LEU 80 HG LEU 80 7.203 -0.279 -1.099 634 1HD1 LEU 80 1HD1 LEU 80 7.013 2.753 -1.329 635 2HD1 LEU 80 2HD1 LEU 80 6.395 1.753 0.006 636 3HD1 LEU 80 3HD1 LEU 80 8.137 1.859 -0.283 637 1HD2 LEU 80 1HD2 LEU 80 5.571 1.424 -3.024 638 2HD2 LEU 80 2HD2 LEU 80 5.575 -0.361 -2.927 639 3HD2 LEU 80 3HD2 LEU 80 4.939 0.588 -1.602 640 H GLU 81 H GLU 81 8.656 1.467 -5.477 641 HA GLU 81 HA GLU 81 11.106 0.248 -6.667 642 1HB GLU 81 1HB GLU 81 9.039 2.215 -7.735 643 2HB GLU 81 2HB GLU 81 10.437 1.617 -8.638 644 1HG GLU 81 1HG GLU 81 9.542 -0.617 -8.701 645 2HG GLU 81 2HG GLU 81 8.278 -0.223 -7.529 646 H GLY 82 H GLY 82 9.712 3.047 -5.053 647 1HA GLY 82 1HA GLY 82 10.747 4.932 -4.148 648 2HA GLY 82 2HA GLY 82 12.271 4.535 -4.965 649 H HIS 83 H HIS 83 9.207 4.364 -6.754 650 HA HIS 83 HA HIS 83 10.228 6.433 -8.589 651 1HB HIS 83 1HB HIS 83 9.017 4.030 -9.085 652 2HB HIS 83 2HB HIS 83 7.610 5.077 -9.114 653 HD1 HIS 83 HD1 HIS 83 7.330 6.387 -11.468 654 HD2 HIS 83 HD2 HIS 83 11.114 4.660 -10.778 655 HE1 HIS 83 HE1 HIS 83 8.607 6.587 -13.633 656 H HIS 84 H HIS 84 9.229 8.395 -8.828 657 HA HIS 84 HA HIS 84 6.833 9.060 -7.177 658 1HB HIS 84 1HB HIS 84 9.477 10.582 -7.331 659 2HB HIS 84 2HB HIS 84 8.006 11.194 -6.582 660 HD1 HIS 84 HD1 HIS 84 10.682 8.451 -5.917 661 HD2 HIS 84 HD2 HIS 84 7.372 10.384 -4.157 662 HE1 HIS 84 HE1 HIS 84 10.696 7.804 -3.468 663 H ARG 85 H ARG 85 7.169 8.421 -10.036 664 HA ARG 85 HA ARG 85 6.219 10.856 -11.383 665 1HB ARG 85 1HB ARG 85 8.645 9.212 -12.296 666 2HB ARG 85 2HB ARG 85 7.910 10.520 -13.208 667 1HG ARG 85 1HG ARG 85 9.350 10.839 -10.534 668 2HG ARG 85 2HG ARG 85 10.045 11.133 -12.122 669 1HD ARG 85 1HD ARG 85 8.370 12.891 -12.582 670 2HD ARG 85 2HD ARG 85 7.644 12.654 -10.999 671 HE ARG 85 HE ARG 85 10.234 13.905 -11.657 672 1HH1 ARG 85 1HH2 ARG 85 8.069 12.843 -9.028 673 2HH1 ARG 85 2HH2 ARG 85 8.776 13.903 -7.856 674 1HH2 ARG 85 1HH1 ARG 85 11.188 15.253 -10.077 675 2HH2 ARG 85 2HH1 ARG 85 10.605 15.267 -8.458 676 H PHE 86 H PHE 86 5.479 10.144 -13.651 677 HA PHE 86 HA PHE 86 5.181 7.219 -13.919 678 1HB PHE 86 1HB PHE 86 3.091 7.695 -15.274 679 2HB PHE 86 2HB PHE 86 2.981 7.680 -13.530 680 HD1 PHE 86 HD1 PHE 86 3.185 10.013 -16.472 681 HD2 PHE 86 HD2 PHE 86 2.098 9.503 -12.326 682 HE1 PHE 86 HE1 PHE 86 2.163 12.276 -16.458 683 HE2 PHE 86 HE2 PHE 86 1.098 11.775 -12.313 684 HZ PHE 86 HZ PHE 86 1.128 13.165 -14.376 685 H SER 87 H SER 87 6.078 6.486 -15.743 686 HA SER 87 HA SER 87 7.101 8.495 -17.712 687 1HB SER 87 1HB SER 87 8.578 6.158 -16.442 688 2HB SER 87 2HB SER 87 9.242 7.339 -17.584 689 HG SER 87 HG SER 87 9.794 7.960 -15.511 690 H ILE 88 H ILE 88 7.915 7.541 -19.751 691 HA ILE 88 HA ILE 88 6.335 5.164 -20.590 692 HB ILE 88 HB ILE 88 6.531 7.790 -22.128 693 1HG1 ILE 88 1HG1 ILE 88 4.223 6.687 -20.465 694 2HG1 ILE 88 2HG1 ILE 88 5.112 8.181 -20.180 695 1HG2 ILE 88 1HG2 ILE 88 6.338 5.713 -23.491 696 2HG2 ILE 88 2HG2 ILE 88 4.880 5.269 -22.571 697 3HG2 ILE 88 3HG2 ILE 88 4.895 6.705 -23.621 698 1HD1 ILE 88 1HD1 ILE 88 3.006 8.761 -21.107 699 2HD1 ILE 88 2HD1 ILE 88 4.231 9.075 -22.355 700 3HD1 ILE 88 3HD1 ILE 88 3.184 7.634 -22.458 701 H VAL 89 H VAL 89 7.751 3.715 -21.290 702 HA VAL 89 HA VAL 89 10.498 4.376 -21.949 703 HB VAL 89 HB VAL 89 8.901 1.794 -22.260 704 1HG1 VAL 89 1HG1 VAL 89 11.918 2.265 -22.243 705 2HG1 VAL 89 2HG1 VAL 89 11.132 0.674 -22.193 706 3HG1 VAL 89 3HG1 VAL 89 10.939 1.692 -23.618 707 1HG2 VAL 89 1HG2 VAL 89 10.694 2.733 -19.974 708 2HG2 VAL 89 2HG2 VAL 89 8.938 2.471 -19.895 709 3HG2 VAL 89 3HG2 VAL 89 10.015 1.100 -20.138 710 H TYR 90 H TYR 90 11.399 4.519 -23.994 711 HA TYR 90 HA TYR 90 9.711 4.090 -26.394 712 1HB TYR 90 1HB TYR 90 10.381 6.247 -27.298 713 2HB TYR 90 2HB TYR 90 9.515 6.453 -25.792 714 HD1 TYR 90 HD1 TYR 90 12.795 6.791 -27.477 715 HD2 TYR 90 HD2 TYR 90 10.652 7.292 -23.765 716 HE1 TYR 90 HE1 TYR 90 14.664 8.148 -26.586 717 HE2 TYR 90 HE2 TYR 90 12.513 8.646 -22.863 718 HH TYR 90 HH TYR 90 14.619 9.558 -23.276 719 H SER 91 H SER 91 12.413 3.109 -24.851 720 HA SER 91 HA SER 91 14.569 3.356 -26.582 721 1HB SER 91 1HB SER 91 13.877 0.913 -24.908 722 2HB SER 91 2HB SER 91 15.484 1.500 -25.363 723 HG SER 91 HG SER 91 14.943 2.116 -23.213 Start of MODEL 14 1 1H MET 1 1H MET 1 2.928 0.159 2.309 2 2H MET 1 2H MET 1 3.010 -1.416 1.854 3 3H MET 1 3H MET 1 4.286 -0.436 1.596 4 HA MET 1 HA MET 1 1.648 -0.174 0.347 5 1HB MET 1 1HB MET 1 3.320 1.907 0.749 6 2HB MET 1 2HB MET 1 4.032 1.291 -0.740 7 1HG MET 1 1HG MET 1 1.697 1.332 -1.728 8 2HG MET 1 2HG MET 1 1.137 2.098 -0.251 9 1HE MET 1 1HE MET 1 3.411 2.252 -3.320 10 2HE MET 1 2HE MET 1 3.820 3.974 -3.513 11 3HE MET 1 3HE MET 1 4.616 3.008 -2.254 12 H LEU 2 H LEU 2 2.294 -0.307 -2.396 13 HA LEU 2 HA LEU 2 3.424 -3.037 -2.632 14 1HB LEU 2 1HB LEU 2 0.810 -2.471 -1.958 15 2HB LEU 2 2HB LEU 2 0.730 -2.323 -3.693 16 HG LEU 2 HG LEU 2 1.840 -4.682 -3.737 17 1HD1 LEU 2 1HD1 LEU 2 2.564 -4.818 -1.396 18 2HD1 LEU 2 2HD1 LEU 2 0.898 -4.559 -0.840 19 3HD1 LEU 2 3HD1 LEU 2 1.313 -6.047 -1.695 20 1HD2 LEU 2 1HD2 LEU 2 -0.355 -5.787 -3.465 21 2HD2 LEU 2 2HD2 LEU 2 -0.984 -4.336 -2.653 22 3HD2 LEU 2 3HD2 LEU 2 -0.505 -4.272 -4.363 23 H GLN 3 H GLN 3 2.806 -3.744 -5.069 24 HA GLN 3 HA GLN 3 3.016 -1.578 -7.030 25 1HB GLN 3 1HB GLN 3 5.314 -2.007 -6.781 26 2HB GLN 3 2HB GLN 3 5.084 -3.710 -6.406 27 1HG GLN 3 1HG GLN 3 4.600 -4.244 -8.733 28 2HG GLN 3 2HG GLN 3 4.730 -2.532 -9.173 29 1HE2 GLN 3 2HE2 GLN 3 6.908 -1.496 -8.506 30 2HE2 GLN 3 1HE2 GLN 3 8.339 -2.444 -8.840 31 H TYR 4 H TYR 4 2.307 -2.267 -9.144 32 HA TYR 4 HA TYR 4 1.182 -5.023 -9.297 33 1HB TYR 4 1HB TYR 4 -0.334 -4.392 -11.015 34 2HB TYR 4 2HB TYR 4 -0.636 -3.464 -9.573 35 HD1 TYR 4 HD1 TYR 4 -1.720 -1.535 -10.263 36 HD2 TYR 4 HD2 TYR 4 1.630 -2.839 -12.651 37 HE1 TYR 4 HE1 TYR 4 -1.769 0.573 -11.508 38 HE2 TYR 4 HE2 TYR 4 1.607 -0.717 -13.848 39 HH TYR 4 HH TYR 4 -0.770 1.858 -13.206 40 H ARG 5 H ARG 5 1.444 -6.040 -11.395 41 HA ARG 5 HA ARG 5 3.168 -4.676 -13.352 42 1HB ARG 5 1HB ARG 5 3.588 -7.605 -12.569 43 2HB ARG 5 2HB ARG 5 4.349 -6.756 -13.926 44 1HG ARG 5 1HG ARG 5 5.319 -5.122 -12.252 45 2HG ARG 5 2HG ARG 5 4.707 -6.166 -10.958 46 1HD ARG 5 1HD ARG 5 6.083 -8.038 -11.859 47 2HD ARG 5 2HD ARG 5 6.732 -6.930 -13.089 48 HE ARG 5 HE ARG 5 6.928 -5.820 -10.415 49 1HH1 ARG 5 1HH1 ARG 5 8.640 -8.123 -12.515 50 2HH1 ARG 5 2HH1 ARG 5 10.159 -7.879 -11.734 51 1HH2 ARG 5 1HH2 ARG 5 8.809 -5.497 -9.425 52 2HH2 ARG 5 2HH2 ARG 5 10.273 -6.323 -9.884 53 H ILE 6 H ILE 6 2.129 -4.830 -15.315 54 HA ILE 6 HA ILE 6 -0.229 -6.645 -15.511 55 HB ILE 6 HB ILE 6 -0.100 -3.623 -15.858 56 1HG1 ILE 6 1HG1 ILE 6 -1.928 -5.283 -14.077 57 2HG1 ILE 6 2HG1 ILE 6 -0.448 -4.511 -13.513 58 1HG2 ILE 6 1HG2 ILE 6 -2.382 -5.503 -16.598 59 2HG2 ILE 6 2HG2 ILE 6 -2.489 -3.731 -16.585 60 3HG2 ILE 6 3HG2 ILE 6 -1.403 -4.512 -17.709 61 1HD1 ILE 6 1HD1 ILE 6 -2.236 -3.096 -12.893 62 2HD1 ILE 6 2HD1 ILE 6 -1.344 -2.299 -14.196 63 3HD1 ILE 6 3HD1 ILE 6 -2.915 -3.075 -14.526 64 H ILE 7 H ILE 7 -0.569 -7.367 -17.586 65 HA ILE 7 HA ILE 7 0.973 -6.109 -19.753 66 HB ILE 7 HB ILE 7 0.525 -8.946 -20.308 67 1HG1 ILE 7 1HG1 ILE 7 1.160 -9.270 -17.873 68 2HG1 ILE 7 2HG1 ILE 7 2.178 -10.044 -19.062 69 1HG2 ILE 7 1HG2 ILE 7 2.810 -8.786 -21.172 70 2HG2 ILE 7 2HG2 ILE 7 1.750 -7.482 -21.737 71 3HG2 ILE 7 3HG2 ILE 7 2.945 -7.151 -20.472 72 1HD1 ILE 7 1HD1 ILE 7 3.507 -9.104 -17.208 73 2HD1 ILE 7 2HD1 ILE 7 3.951 -8.376 -18.760 74 3HD1 ILE 7 3HD1 ILE 7 2.951 -7.481 -17.600 75 H VAL 8 H VAL 8 -0.335 -5.710 -21.513 76 HA VAL 8 HA VAL 8 -3.117 -6.737 -21.491 77 HB VAL 8 HB VAL 8 -3.801 -4.303 -21.947 78 1HG1 VAL 8 1HG1 VAL 8 -3.004 -5.156 -19.161 79 2HG1 VAL 8 2HG1 VAL 8 -4.095 -3.807 -19.543 80 3HG1 VAL 8 3HG1 VAL 8 -4.531 -5.454 -20.007 81 1HG2 VAL 8 1HG2 VAL 8 -1.510 -3.332 -22.124 82 2HG2 VAL 8 2HG2 VAL 8 -2.537 -2.509 -20.946 83 3HG2 VAL 8 3HG2 VAL 8 -1.270 -3.623 -20.389 84 H ASP 9 H ASP 9 -4.215 -6.503 -23.475 85 HA ASP 9 HA ASP 9 -2.686 -5.647 -25.846 86 1HB ASP 9 1HB ASP 9 -2.272 -8.133 -25.319 87 2HB ASP 9 2HB ASP 9 -3.977 -8.393 -25.660 88 H GLY 10 H GLY 10 -4.189 -5.234 -27.632 89 1HA GLY 10 1HA GLY 10 -6.782 -5.378 -28.094 90 2HA GLY 10 2HA GLY 10 -6.807 -4.347 -26.643 91 H ARG 11 H ARG 11 -7.476 -2.507 -27.851 92 HA ARG 11 HA ARG 11 -5.466 -1.282 -29.638 93 1HB ARG 11 1HB ARG 11 -7.967 -0.905 -30.034 94 2HB ARG 11 2HB ARG 11 -8.002 -0.013 -28.508 95 1HG ARG 11 1HG ARG 11 -6.063 1.417 -29.575 96 2HG ARG 11 2HG ARG 11 -6.572 0.698 -31.101 97 1HD ARG 11 1HD ARG 11 -8.326 2.253 -29.159 98 2HD ARG 11 2HD ARG 11 -7.595 2.933 -30.619 99 HE ARG 11 HE ARG 11 -9.000 0.846 -31.633 100 1HH1 ARG 11 1HH2 ARG 11 -9.914 3.537 -29.483 101 2HH1 ARG 11 2HH2 ARG 11 -11.545 3.612 -30.058 102 1HH2 ARG 11 1HH1 ARG 11 -11.182 0.941 -32.369 103 2HH2 ARG 11 2HH1 ARG 11 -12.277 2.101 -31.723 104 H VAL 12 H VAL 12 -4.103 -1.989 -27.610 105 HA VAL 12 HA VAL 12 -4.136 0.004 -25.432 106 HB VAL 12 HB VAL 12 -2.218 -1.346 -24.574 107 1HG1 VAL 12 1HG1 VAL 12 -4.524 -1.748 -23.866 108 2HG1 VAL 12 2HG1 VAL 12 -4.775 -2.889 -25.200 109 3HG1 VAL 12 3HG1 VAL 12 -3.602 -3.265 -23.925 110 1HG2 VAL 12 1HG2 VAL 12 -1.411 -2.294 -26.771 111 2HG2 VAL 12 2HG2 VAL 12 -1.665 -3.508 -25.515 112 3HG2 VAL 12 3HG2 VAL 12 -2.851 -3.328 -26.817 113 H GLN 13 H GLN 13 -2.881 -0.252 -28.563 114 HA GLN 13 HA GLN 13 -1.303 2.190 -28.115 115 1HB GLN 13 1HB GLN 13 -0.547 -0.011 -30.088 116 2HB GLN 13 2HB GLN 13 0.228 1.561 -29.956 117 1HG GLN 13 1HG GLN 13 0.277 -0.578 -27.779 118 2HG GLN 13 2HG GLN 13 1.522 -0.356 -28.994 119 1HE2 GLN 13 2HE2 GLN 13 -0.102 1.376 -26.244 120 2HE2 GLN 13 1HE2 GLN 13 1.308 2.328 -25.861 121 H GLY 14 H GLY 14 -1.757 3.676 -29.805 122 1HA GLY 14 1HA GLY 14 -3.437 3.715 -31.947 123 2HA GLY 14 2HA GLY 14 -4.524 3.441 -30.561 124 H VAL 15 H VAL 15 -5.268 5.747 -31.117 125 HA VAL 15 HA VAL 15 -3.567 7.955 -30.979 126 HB VAL 15 HB VAL 15 -5.603 9.291 -30.567 127 1HG1 VAL 15 1HG1 VAL 15 -6.739 8.723 -32.643 128 2HG1 VAL 15 2HG1 VAL 15 -4.991 8.543 -32.848 129 3HG1 VAL 15 3HG1 VAL 15 -6.017 7.104 -32.655 130 1HG2 VAL 15 1HG2 VAL 15 -7.810 8.239 -30.432 131 2HG2 VAL 15 2HG2 VAL 15 -7.084 6.623 -30.372 132 3HG2 VAL 15 3HG2 VAL 15 -6.825 7.772 -29.042 133 H GLY 16 H GLY 16 -4.709 6.057 -28.235 134 1HA GLY 16 1HA GLY 16 -4.081 8.117 -26.276 135 2HA GLY 16 2HA GLY 16 -4.570 6.445 -25.977 136 H PHE 17 H PHE 17 -2.078 6.285 -28.150 137 HA PHE 17 HA PHE 17 -0.101 5.101 -27.821 138 1HB PHE 17 1HB PHE 17 0.381 8.070 -27.452 139 2HB PHE 17 2HB PHE 17 1.633 6.912 -27.856 140 HD1 PHE 17 HD1 PHE 17 1.362 5.466 -29.979 141 HD2 PHE 17 HD2 PHE 17 -0.853 9.096 -29.239 142 HE1 PHE 17 HE1 PHE 17 0.908 5.692 -32.409 143 HE2 PHE 17 HE2 PHE 17 -1.296 9.318 -31.666 144 HZ PHE 17 HZ PHE 17 -0.424 7.614 -33.257 145 H ARG 18 H ARG 18 -1.069 4.300 -25.547 146 HA ARG 18 HA ARG 18 -0.947 3.872 -23.395 147 1HB ARG 18 1HB ARG 18 1.247 3.124 -22.482 148 2HB ARG 18 2HB ARG 18 0.643 2.339 -23.914 149 1HG ARG 18 1HG ARG 18 2.228 3.770 -25.289 150 2HG ARG 18 2HG ARG 18 2.907 4.383 -23.785 151 1HD ARG 18 1HD ARG 18 3.859 2.265 -23.249 152 2HD ARG 18 2HD ARG 18 2.727 1.386 -24.269 153 HE ARG 18 HE ARG 18 3.865 2.048 -26.236 154 1HH1 ARG 18 1HH2 ARG 18 5.696 2.960 -23.271 155 2HH1 ARG 18 2HH2 ARG 18 7.130 3.319 -24.175 156 1HH2 ARG 18 1HH1 ARG 18 5.822 2.505 -27.330 157 2HH2 ARG 18 2HH1 ARG 18 7.224 2.992 -26.450 158 H TYR 19 H TYR 19 -0.033 7.024 -24.052 159 HA TYR 19 HA TYR 19 0.577 7.704 -21.295 160 1HB TYR 19 1HB TYR 19 0.046 9.968 -21.833 161 2HB TYR 19 2HB TYR 19 1.081 9.306 -23.087 162 HD1 TYR 19 HD1 TYR 19 0.309 9.079 -25.352 163 HD2 TYR 19 HD2 TYR 19 -2.331 10.498 -22.260 164 HE1 TYR 19 HE1 TYR 19 -1.356 9.764 -27.084 165 HE2 TYR 19 HE2 TYR 19 -3.987 11.197 -23.966 166 HH TYR 19 HH TYR 19 -3.528 10.496 -27.451 167 H PHE 20 H PHE 20 -2.386 6.798 -23.048 168 HA PHE 20 HA PHE 20 -4.233 7.958 -21.351 169 1HB PHE 20 1HB PHE 20 -5.845 6.516 -22.138 170 2HB PHE 20 2HB PHE 20 -4.692 6.573 -23.445 171 HD1 PHE 20 HD1 PHE 20 -3.310 4.548 -23.991 172 HD2 PHE 20 HD2 PHE 20 -6.270 4.464 -20.855 173 HE1 PHE 20 HE1 PHE 20 -3.332 2.069 -24.059 174 HE2 PHE 20 HE2 PHE 20 -6.340 1.990 -20.964 175 HZ PHE 20 HZ PHE 20 -4.877 0.786 -22.589 176 H VAL 21 H VAL 21 -2.628 4.749 -20.746 177 HA VAL 21 HA VAL 21 -3.905 4.465 -18.232 178 HB VAL 21 HB VAL 21 -2.093 2.920 -17.703 179 1HG1 VAL 21 1HG1 VAL 21 -2.820 1.178 -19.216 180 2HG1 VAL 21 2HG1 VAL 21 -4.191 2.257 -18.917 181 3HG1 VAL 21 3HG1 VAL 21 -3.275 2.377 -20.434 182 1HG2 VAL 21 1HG2 VAL 21 -1.032 3.252 -20.516 183 2HG2 VAL 21 2HG2 VAL 21 -0.221 3.882 -19.060 184 3HG2 VAL 21 3HG2 VAL 21 -0.469 2.148 -19.251 185 H GLN 22 H GLN 22 -1.003 6.347 -19.182 186 HA GLN 22 HA GLN 22 -0.248 6.695 -16.407 187 1HB GLN 22 1HB GLN 22 0.645 8.295 -18.816 188 2HB GLN 22 2HB GLN 22 1.393 8.245 -17.232 189 1HG GLN 22 1HG GLN 22 1.279 6.007 -19.281 190 2HG GLN 22 2HG GLN 22 2.684 6.907 -18.752 191 1HE2 GLN 22 2HE2 GLN 22 4.045 5.413 -17.712 192 2HE2 GLN 22 1HE2 GLN 22 3.462 4.288 -16.491 193 H MET 23 H MET 23 -2.480 8.388 -18.535 194 HA MET 23 HA MET 23 -2.888 10.656 -16.746 195 1HB MET 23 1HB MET 23 -4.901 9.319 -18.609 196 2HB MET 23 2HB MET 23 -5.090 10.865 -17.795 197 1HG MET 23 1HG MET 23 -3.076 11.703 -19.060 198 2HG MET 23 2HG MET 23 -3.128 10.214 -20.011 199 1HE MET 23 1HE MET 23 -6.614 10.501 -21.831 200 2HE MET 23 2HE MET 23 -5.016 9.754 -21.977 201 3HE MET 23 3HE MET 23 -6.000 9.484 -20.507 202 H GLU 24 H GLU 24 -4.437 7.413 -17.168 203 HA GLU 24 HA GLU 24 -6.188 7.718 -14.941 204 1HB GLU 24 1HB GLU 24 -5.143 5.213 -16.318 205 2HB GLU 24 2HB GLU 24 -6.489 5.253 -15.183 206 1HG GLU 24 1HG GLU 24 -6.440 6.782 -17.850 207 2HG GLU 24 2HG GLU 24 -7.201 5.220 -17.583 208 H ALA 25 H ALA 25 -2.829 6.664 -15.108 209 HA ALA 25 HA ALA 25 -2.554 5.688 -12.444 210 1HB ALA 25 1HB ALA 25 -0.899 5.305 -14.302 211 2HB ALA 25 2HB ALA 25 -0.456 7.028 -14.222 212 3HB ALA 25 3HB ALA 25 -0.143 5.980 -12.849 213 H ASP 26 H ASP 26 -1.912 8.947 -13.901 214 HA ASP 26 HA ASP 26 -1.236 10.253 -11.459 215 1HB ASP 26 1HB ASP 26 -0.765 11.295 -13.576 216 2HB ASP 26 2HB ASP 26 -2.472 11.311 -14.025 217 H LYS 27 H LYS 27 -4.411 9.750 -13.042 218 HA LYS 27 HA LYS 27 -5.998 11.105 -11.145 219 1HB LYS 27 1HB LYS 27 -6.789 10.521 -13.307 220 2HB LYS 27 2HB LYS 27 -6.520 8.812 -13.054 221 1HG LYS 27 1HG LYS 27 -8.482 10.221 -11.254 222 2HG LYS 27 2HG LYS 27 -8.941 9.953 -12.925 223 1HD LYS 27 1HD LYS 27 -7.957 7.713 -11.127 224 2HD LYS 27 2HD LYS 27 -9.661 8.135 -11.279 225 1HE LYS 27 1HE LYS 27 -7.829 7.228 -13.546 226 2HE LYS 27 2HE LYS 27 -8.925 6.179 -12.659 227 1HZ LYS 27 1HZ LYS 27 -9.839 6.957 -14.769 228 2HZ LYS 27 2HZ LYS 27 -10.793 7.428 -13.509 229 3HZ LYS 27 3HZ LYS 27 -9.808 8.503 -14.271 230 H ARG 28 H ARG 28 -4.206 8.153 -10.664 231 HA ARG 28 HA ARG 28 -5.563 7.807 -8.011 232 1HB ARG 28 1HB ARG 28 -4.167 5.740 -9.765 233 2HB ARG 28 2HB ARG 28 -4.728 5.439 -8.127 234 1HG ARG 28 1HG ARG 28 -6.517 6.013 -10.510 235 2HG ARG 28 2HG ARG 28 -6.157 4.445 -9.811 236 1HD ARG 28 1HD ARG 28 -8.299 5.035 -9.019 237 2HD ARG 28 2HD ARG 28 -7.189 5.177 -7.643 238 HE ARG 28 HE ARG 28 -7.370 7.713 -8.870 239 1HH1 ARG 28 1HH2 ARG 28 -9.564 5.572 -7.062 240 2HH1 ARG 28 2HH2 ARG 28 -10.532 6.873 -6.478 241 1HH2 ARG 28 1HH1 ARG 28 -8.580 9.374 -8.123 242 2HH2 ARG 28 2HH1 ARG 28 -9.959 9.122 -7.101 243 H LYS 29 H LYS 29 -3.113 9.435 -9.163 244 HA LYS 29 HA LYS 29 -0.938 9.798 -8.777 245 1HB LYS 29 1HB LYS 29 -1.951 9.612 -5.916 246 2HB LYS 29 2HB LYS 29 -0.445 10.393 -6.399 247 1HG LYS 29 1HG LYS 29 -3.214 11.257 -7.345 248 2HG LYS 29 2HG LYS 29 -2.312 11.994 -6.023 249 1HD LYS 29 1HD LYS 29 -0.540 12.724 -7.529 250 2HD LYS 29 2HD LYS 29 -1.285 11.877 -8.897 251 1HE LYS 29 1HE LYS 29 -3.309 13.275 -8.688 252 2HE LYS 29 2HE LYS 29 -2.547 14.183 -7.369 253 1HZ LYS 29 1HZ LYS 29 -1.501 13.989 -10.145 254 2HZ LYS 29 2HZ LYS 29 -2.306 15.281 -9.527 255 3HZ LYS 29 3HZ LYS 29 -0.837 14.885 -8.935 256 H LEU 30 H LEU 30 -1.201 7.227 -9.509 257 HA LEU 30 HA LEU 30 0.657 5.556 -7.938 258 1HB LEU 30 1HB LEU 30 -0.504 5.372 -10.752 259 2HB LEU 30 2HB LEU 30 0.595 4.179 -10.064 260 HG LEU 30 HG LEU 30 -2.196 4.848 -9.031 261 1HD1 LEU 30 1HD1 LEU 30 -2.189 3.624 -11.162 262 2HD1 LEU 30 2HD1 LEU 30 -1.068 2.429 -10.480 263 3HD1 LEU 30 3HD1 LEU 30 -2.725 2.570 -9.842 264 1HD2 LEU 30 1HD2 LEU 30 -1.854 2.765 -7.633 265 2HD2 LEU 30 2HD2 LEU 30 -0.137 2.834 -8.072 266 3HD2 LEU 30 3HD2 LEU 30 -0.882 4.154 -7.135 267 H ALA 31 H ALA 31 2.755 4.897 -9.017 268 HA ALA 31 HA ALA 31 3.912 6.894 -10.868 269 1HB ALA 31 1HB ALA 31 5.909 7.094 -9.413 270 2HB ALA 31 2HB ALA 31 4.467 7.747 -8.613 271 3HB ALA 31 3HB ALA 31 5.100 6.148 -8.151 272 H GLY 32 H GLY 32 5.404 5.873 -12.289 273 1HA GLY 32 1HA GLY 32 6.517 3.301 -12.121 274 2HA GLY 32 2HA GLY 32 4.801 3.103 -12.525 275 H TRP 33 H TRP 33 5.822 2.116 -14.524 276 HA TRP 33 HA TRP 33 6.111 4.217 -16.569 277 1HB TRP 33 1HB TRP 33 8.001 3.084 -17.595 278 2HB TRP 33 2HB TRP 33 8.367 3.656 -15.986 279 HD1 TRP 33 HD1 TRP 33 7.708 0.363 -17.861 280 HE1 TRP 33 HE1 TRP 33 8.931 -1.532 -16.681 281 HE3 TRP 33 HE3 TRP 33 9.249 2.893 -13.681 282 HZ2 TRP 33 HZ2 TRP 33 10.532 -1.882 -14.280 283 HZ3 TRP 33 HZ3 TRP 33 10.606 1.743 -11.956 284 HH2 TRP 33 HH2 TRP 33 11.271 -0.634 -12.254 285 H VAL 34 H VAL 34 5.679 3.535 -18.741 286 HA VAL 34 HA VAL 34 4.410 0.842 -19.038 287 HB VAL 34 HB VAL 34 2.685 2.571 -18.731 288 1HG1 VAL 34 1HG1 VAL 34 2.201 4.194 -20.454 289 2HG1 VAL 34 2HG1 VAL 34 3.827 4.488 -19.827 290 3HG1 VAL 34 3HG1 VAL 34 3.616 3.703 -21.397 291 1HG2 VAL 34 1HG2 VAL 34 2.276 0.491 -19.981 292 2HG2 VAL 34 2HG2 VAL 34 1.297 1.828 -20.589 293 3HG2 VAL 34 3HG2 VAL 34 2.719 1.290 -21.492 294 H LYS 35 H LYS 35 4.743 -0.224 -20.923 295 HA LYS 35 HA LYS 35 6.810 0.838 -22.809 296 1HB LYS 35 1HB LYS 35 7.811 -0.291 -20.839 297 2HB LYS 35 2HB LYS 35 6.776 -1.690 -21.126 298 1HG LYS 35 1HG LYS 35 7.977 -2.169 -23.233 299 2HG LYS 35 2HG LYS 35 8.947 -0.700 -23.029 300 1HD LYS 35 1HD LYS 35 10.205 -2.705 -22.358 301 2HD LYS 35 2HD LYS 35 9.946 -1.631 -20.973 302 1HE LYS 35 1HE LYS 35 8.006 -3.038 -20.264 303 2HE LYS 35 2HE LYS 35 8.288 -4.119 -21.631 304 1HZ LYS 35 1HZ LYS 35 10.335 -4.803 -20.629 305 2HZ LYS 35 2HZ LYS 35 10.268 -3.634 -19.480 306 3HZ LYS 35 3HZ LYS 35 9.163 -4.839 -19.462 307 H ASN 36 H ASN 36 6.872 -0.414 -24.801 308 HA ASN 36 HA ASN 36 4.496 -2.163 -25.323 309 1HB ASN 36 1HB ASN 36 4.320 -0.337 -26.833 310 2HB ASN 36 2HB ASN 36 6.059 -0.322 -27.157 311 1HD2 ASN 36 2HD2 ASN 36 3.446 -2.940 -27.306 312 2HD2 ASN 36 1HD2 ASN 36 3.906 -3.406 -28.915 313 H ARG 37 H ARG 37 4.990 -4.248 -25.671 314 HA ARG 37 HA ARG 37 7.801 -5.064 -25.311 315 1HB ARG 37 1HB ARG 37 5.335 -6.830 -25.599 316 2HB ARG 37 2HB ARG 37 6.908 -7.253 -24.905 317 1HG ARG 37 1HG ARG 37 6.437 -5.627 -23.022 318 2HG ARG 37 2HG ARG 37 4.837 -5.358 -23.722 319 1HD ARG 37 1HD ARG 37 4.178 -6.994 -22.361 320 2HD ARG 37 2HD ARG 37 4.780 -8.086 -23.597 321 HE ARG 37 HE ARG 37 5.980 -7.372 -20.978 322 1HH1 ARG 37 1HH2 ARG 37 6.367 -9.410 -23.919 323 2HH1 ARG 37 2HH2 ARG 37 7.586 -10.376 -23.157 324 1HH2 ARG 37 1HH1 ARG 37 7.437 -8.538 -20.085 325 2HH2 ARG 37 2HH1 ARG 37 8.236 -9.891 -20.865 326 H ASP 38 H ASP 38 8.939 -6.283 -26.849 327 HA ASP 38 HA ASP 38 8.430 -5.863 -29.595 328 1HB ASP 38 1HB ASP 38 10.652 -6.332 -28.689 329 2HB ASP 38 2HB ASP 38 10.144 -7.948 -28.194 330 H ASP 39 H ASP 39 7.368 -8.478 -27.438 331 HA ASP 39 HA ASP 39 6.566 -10.272 -29.528 332 1HB ASP 39 1HB ASP 39 5.732 -11.666 -27.886 333 2HB ASP 39 2HB ASP 39 7.087 -10.873 -27.100 334 H GLY 40 H GLY 40 5.186 -7.291 -28.627 335 1HA GLY 40 1HA GLY 40 3.447 -6.352 -29.862 336 2HA GLY 40 2HA GLY 40 2.784 -7.947 -30.227 337 H ARG 41 H ARG 41 3.597 -6.261 -27.145 338 HA ARG 41 HA ARG 41 0.781 -6.382 -26.224 339 1HB ARG 41 1HB ARG 41 2.941 -8.138 -25.283 340 2HB ARG 41 2HB ARG 41 2.525 -7.017 -24.014 341 1HG ARG 41 1HG ARG 41 1.295 -9.087 -23.738 342 2HG ARG 41 2HG ARG 41 0.210 -7.748 -23.999 343 1HD ARG 41 1HD ARG 41 -0.538 -9.721 -25.243 344 2HD ARG 41 2HD ARG 41 -0.134 -8.406 -26.352 345 HE ARG 41 HE ARG 41 2.169 -10.053 -26.032 346 1HH1 ARG 41 1HH2 ARG 41 -1.016 -10.079 -27.712 347 2HH1 ARG 41 2HH2 ARG 41 -0.540 -11.374 -28.753 348 1HH2 ARG 41 1HH1 ARG 41 2.781 -11.490 -27.472 349 2HH2 ARG 41 2HH1 ARG 41 1.720 -12.188 -28.678 350 H VAL 42 H VAL 42 0.679 -5.052 -24.080 351 HA VAL 42 HA VAL 42 2.870 -3.030 -23.950 352 HB VAL 42 HB VAL 42 -0.123 -2.658 -23.677 353 1HG1 VAL 42 1HG1 VAL 42 0.285 -0.373 -22.818 354 2HG1 VAL 42 2HG1 VAL 42 0.820 -1.598 -21.665 355 3HG1 VAL 42 3HG1 VAL 42 2.016 -0.744 -22.658 356 1HG2 VAL 42 1HG2 VAL 42 0.269 -0.804 -25.218 357 2HG2 VAL 42 2HG2 VAL 42 2.021 -1.108 -25.188 358 3HG2 VAL 42 3HG2 VAL 42 0.916 -2.302 -25.903 359 H GLU 43 H GLU 43 3.612 -2.637 -21.871 360 HA GLU 43 HA GLU 43 2.713 -4.514 -19.749 361 1HB GLU 43 1HB GLU 43 4.759 -5.373 -20.858 362 2HB GLU 43 2HB GLU 43 5.582 -3.843 -20.549 363 1HG GLU 43 1HG GLU 43 5.389 -4.222 -18.114 364 2HG GLU 43 2HG GLU 43 4.478 -5.707 -18.403 365 H ILE 44 H ILE 44 2.630 -3.530 -17.732 366 HA ILE 44 HA ILE 44 3.437 -0.685 -17.509 367 HB ILE 44 HB ILE 44 0.956 -1.707 -16.195 368 1HG1 ILE 44 1HG1 ILE 44 0.844 -0.960 -19.134 369 2HG1 ILE 44 2HG1 ILE 44 0.466 -2.529 -18.420 370 1HG2 ILE 44 1HG2 ILE 44 0.305 0.594 -16.237 371 2HG2 ILE 44 2HG2 ILE 44 2.019 0.602 -15.873 372 3HG2 ILE 44 3HG2 ILE 44 1.474 0.982 -17.515 373 1HD1 ILE 44 1HD1 ILE 44 -1.101 0.034 -18.029 374 2HD1 ILE 44 2HD1 ILE 44 -1.594 -1.417 -18.907 375 3HD1 ILE 44 3HD1 ILE 44 -1.404 -1.482 -17.145 376 H LEU 45 H LEU 45 4.282 -0.216 -15.437 377 HA LEU 45 HA LEU 45 3.943 -2.210 -13.262 378 1HB LEU 45 1HB LEU 45 5.904 -2.979 -14.463 379 2HB LEU 45 2HB LEU 45 6.627 -1.377 -14.453 380 HG LEU 45 HG LEU 45 6.003 -2.862 -11.863 381 1HD1 LEU 45 1HD1 LEU 45 8.322 -3.705 -11.906 382 2HD1 LEU 45 2HD1 LEU 45 7.398 -4.330 -13.277 383 3HD1 LEU 45 3HD1 LEU 45 8.550 -3.010 -13.527 384 1HD2 LEU 45 1HD2 LEU 45 6.604 -0.618 -11.321 385 2HD2 LEU 45 2HD2 LEU 45 8.116 -1.500 -11.177 386 3HD2 LEU 45 3HD2 LEU 45 7.806 -0.533 -12.623 387 H ALA 46 H ALA 46 3.549 -1.054 -11.388 388 HA ALA 46 HA ALA 46 4.723 1.606 -11.048 389 1HB ALA 46 1HB ALA 46 1.699 1.180 -10.999 390 2HB ALA 46 2HB ALA 46 2.541 2.689 -10.651 391 3HB ALA 46 3HB ALA 46 2.568 2.036 -12.301 392 H GLU 47 H GLU 47 4.632 2.324 -8.915 393 HA GLU 47 HA GLU 47 3.992 0.287 -6.867 394 1HB GLU 47 1HB GLU 47 5.169 1.657 -5.299 395 2HB GLU 47 2HB GLU 47 6.204 1.258 -6.663 396 1HG GLU 47 1HG GLU 47 5.923 3.532 -7.576 397 2HG GLU 47 2HG GLU 47 4.789 3.940 -6.279 398 H GLY 48 H GLY 48 2.504 0.914 -5.136 399 1HA GLY 48 1HA GLY 48 1.354 3.386 -4.679 400 2HA GLY 48 2HA GLY 48 0.307 2.616 -5.877 401 HA PRO 49 HA PRO 49 -0.828 0.803 -1.725 402 1HB PRO 49 1HB PRO 49 -3.207 2.066 -1.225 403 2HB PRO 49 2HB PRO 49 -1.625 2.695 -0.674 404 1HG PRO 49 1HG PRO 49 -3.225 3.520 -3.089 405 2HG PRO 49 2HG PRO 49 -2.380 4.568 -1.916 406 1HD PRO 49 1HD PRO 49 -1.297 3.870 -4.361 407 2HD PRO 49 2HD PRO 49 -0.297 4.176 -2.912 408 H GLU 50 H GLU 50 -2.465 -0.835 -1.575 409 HA GLU 50 HA GLU 50 -2.908 -2.168 -3.960 410 1HB GLU 50 1HB GLU 50 -2.879 -3.118 -1.645 411 2HB GLU 50 2HB GLU 50 -4.500 -2.467 -1.381 412 1HG GLU 50 1HG GLU 50 -5.336 -3.862 -3.292 413 2HG GLU 50 2HG GLU 50 -3.708 -4.511 -3.507 414 H ASN 51 H ASN 51 -5.247 -0.078 -2.197 415 HA ASN 51 HA ASN 51 -7.473 -0.596 -3.895 416 1HB ASN 51 1HB ASN 51 -7.767 0.494 -1.732 417 2HB ASN 51 2HB ASN 51 -6.768 1.865 -2.238 418 1HD2 ASN 51 2HD2 ASN 51 -9.853 0.134 -3.028 419 2HD2 ASN 51 1HD2 ASN 51 -10.631 1.533 -3.714 420 H ALA 52 H ALA 52 -4.804 1.769 -4.211 421 HA ALA 52 HA ALA 52 -6.004 3.221 -6.426 422 1HB ALA 52 1HB ALA 52 -4.300 4.272 -5.013 423 2HB ALA 52 2HB ALA 52 -3.125 2.996 -5.420 424 3HB ALA 52 3HB ALA 52 -3.677 4.127 -6.663 425 H LEU 53 H LEU 53 -3.592 0.602 -6.074 426 HA LEU 53 HA LEU 53 -2.987 0.290 -8.832 427 1HB LEU 53 1HB LEU 53 -2.918 -1.681 -6.515 428 2HB LEU 53 2HB LEU 53 -2.223 -2.021 -8.087 429 HG LEU 53 HG LEU 53 -1.334 0.322 -6.341 430 1HD1 LEU 53 1HD1 LEU 53 -0.915 -1.742 -5.154 431 2HD1 LEU 53 2HD1 LEU 53 -0.186 -2.489 -6.593 432 3HD1 LEU 53 3HD1 LEU 53 0.614 -1.119 -5.779 433 1HD2 LEU 53 1HD2 LEU 53 0.649 0.403 -7.699 434 2HD2 LEU 53 2HD2 LEU 53 0.145 -1.005 -8.632 435 3HD2 LEU 53 3HD2 LEU 53 -0.747 0.526 -8.771 436 H GLN 54 H GLN 54 -5.427 -1.369 -6.789 437 HA GLN 54 HA GLN 54 -6.428 -2.943 -8.946 438 1HB GLN 54 1HB GLN 54 -7.547 -2.205 -6.220 439 2HB GLN 54 2HB GLN 54 -8.439 -3.223 -7.349 440 1HG GLN 54 1HG GLN 54 -5.636 -3.843 -6.315 441 2HG GLN 54 2HG GLN 54 -7.122 -4.547 -5.692 442 1HE2 GLN 54 2HE2 GLN 54 -4.566 -5.394 -7.550 443 2HE2 GLN 54 1HE2 GLN 54 -5.361 -6.435 -8.723 444 H SER 55 H SER 55 -7.483 0.232 -7.672 445 HA SER 55 HA SER 55 -9.790 0.471 -9.339 446 1HB SER 55 1HB SER 55 -7.928 2.667 -8.339 447 2HB SER 55 2HB SER 55 -9.571 2.891 -8.971 448 HG SER 55 HG SER 55 -8.733 1.563 -6.609 449 H PHE 56 H PHE 56 -6.339 1.320 -9.917 450 HA PHE 56 HA PHE 56 -6.648 2.294 -12.559 451 1HB PHE 56 1HB PHE 56 -4.635 2.663 -11.338 452 2HB PHE 56 2HB PHE 56 -4.359 0.950 -11.090 453 HD1 PHE 56 HD1 PHE 56 -3.821 -0.557 -13.078 454 HD2 PHE 56 HD2 PHE 56 -3.761 3.760 -13.287 455 HE1 PHE 56 HE1 PHE 56 -2.509 -0.670 -15.170 456 HE2 PHE 56 HE2 PHE 56 -2.336 3.608 -15.306 457 HZ PHE 56 HZ PHE 56 -1.749 1.401 -16.267 458 H VAL 57 H VAL 57 -6.035 -1.123 -11.390 459 HA VAL 57 HA VAL 57 -5.939 -2.272 -13.953 460 HB VAL 57 HB VAL 57 -6.879 -3.368 -11.271 461 1HG1 VAL 57 1HG1 VAL 57 -8.037 -4.751 -12.914 462 2HG1 VAL 57 2HG1 VAL 57 -6.537 -4.957 -13.844 463 3HG1 VAL 57 3HG1 VAL 57 -6.696 -5.653 -12.213 464 1HG2 VAL 57 1HG2 VAL 57 -4.410 -2.811 -11.666 465 2HG2 VAL 57 2HG2 VAL 57 -4.765 -4.474 -11.188 466 3HG2 VAL 57 3HG2 VAL 57 -4.417 -4.096 -12.886 467 H GLU 58 H GLU 58 -8.873 -1.614 -11.920 468 HA GLU 58 HA GLU 58 -10.712 -2.639 -13.815 469 1HB GLU 58 1HB GLU 58 -11.068 -0.442 -11.732 470 2HB GLU 58 2HB GLU 58 -12.380 -1.168 -12.670 471 1HG GLU 58 1HG GLU 58 -11.749 -3.412 -11.762 472 2HG GLU 58 2HG GLU 58 -10.544 -2.634 -10.739 473 H ALA 59 H ALA 59 -9.224 0.574 -13.526 474 HA ALA 59 HA ALA 59 -10.817 1.879 -15.494 475 1HB ALA 59 1HB ALA 59 -9.085 3.583 -15.502 476 2HB ALA 59 2HB ALA 59 -9.372 3.050 -13.832 477 3HB ALA 59 3HB ALA 59 -7.932 2.502 -14.711 478 H VAL 60 H VAL 60 -7.642 0.152 -15.829 479 HA VAL 60 HA VAL 60 -7.491 0.603 -18.692 480 HB VAL 60 HB VAL 60 -6.251 -1.796 -17.283 481 1HG1 VAL 60 1HG1 VAL 60 -5.377 -0.083 -19.659 482 2HG1 VAL 60 2HG1 VAL 60 -4.520 -1.500 -19.019 483 3HG1 VAL 60 3HG1 VAL 60 -6.112 -1.695 -19.754 484 1HG2 VAL 60 1HG2 VAL 60 -5.332 1.093 -17.173 485 2HG2 VAL 60 2HG2 VAL 60 -5.414 -0.129 -15.880 486 3HG2 VAL 60 3HG2 VAL 60 -4.179 -0.257 -17.108 487 H LYS 61 H LYS 61 -8.722 -2.149 -16.672 488 HA LYS 61 HA LYS 61 -9.350 -3.861 -18.803 489 1HB LYS 61 1HB LYS 61 -9.182 -4.474 -16.398 490 2HB LYS 61 2HB LYS 61 -10.723 -3.662 -16.088 491 1HG LYS 61 1HG LYS 61 -11.888 -5.247 -17.567 492 2HG LYS 61 2HG LYS 61 -10.344 -5.989 -18.030 493 1HD LYS 61 1HD LYS 61 -9.982 -6.695 -15.674 494 2HD LYS 61 2HD LYS 61 -11.531 -5.951 -15.217 495 1HE LYS 61 1HE LYS 61 -12.713 -7.461 -16.807 496 2HE LYS 61 2HE LYS 61 -11.171 -8.205 -17.248 497 1HZ LYS 61 1HZ LYS 61 -10.961 -8.969 -14.951 498 2HZ LYS 61 2HZ LYS 61 -12.390 -8.281 -14.547 499 3HZ LYS 61 3HZ LYS 61 -12.348 -9.517 -15.605 500 H ASN 62 H ASN 62 -11.384 -1.330 -17.271 501 HA ASN 62 HA ASN 62 -13.741 -1.898 -18.777 502 1HB ASN 62 1HB ASN 62 -13.696 -0.511 -16.711 503 2HB ASN 62 2HB ASN 62 -12.802 0.742 -17.578 504 1HD2 ASN 62 2HD2 ASN 62 -14.092 2.373 -18.432 505 2HD2 ASN 62 1HD2 ASN 62 -15.783 2.184 -18.856 506 H GLY 63 H GLY 63 -10.733 -0.286 -19.705 507 1HA GLY 63 1HA GLY 63 -10.101 0.823 -21.584 508 2HA GLY 63 2HA GLY 63 -11.416 -0.035 -22.418 509 H SER 64 H SER 64 -11.553 2.389 -19.743 510 HA SER 64 HA SER 64 -13.827 3.660 -20.643 511 1HB SER 64 1HB SER 64 -11.684 5.043 -19.007 512 2HB SER 64 2HB SER 64 -13.438 5.234 -18.928 513 HG SER 64 HG SER 64 -12.483 3.907 -17.255 514 HA PRO 65 HA PRO 65 -11.475 7.094 -22.897 515 1HB PRO 65 1HB PRO 65 -8.796 7.165 -23.292 516 2HB PRO 65 2HB PRO 65 -9.526 7.526 -21.706 517 1HG PRO 65 1HG PRO 65 -8.307 4.914 -22.639 518 2HG PRO 65 2HG PRO 65 -8.017 5.813 -21.108 519 1HD PRO 65 1HD PRO 65 -9.799 3.721 -21.352 520 2HD PRO 65 2HD PRO 65 -9.975 5.039 -20.161 521 H PHE 66 H PHE 66 -9.907 7.310 -25.042 522 HA PHE 66 HA PHE 66 -11.045 5.744 -27.098 523 1HB PHE 66 1HB PHE 66 -9.085 6.940 -28.403 524 2HB PHE 66 2HB PHE 66 -10.462 7.814 -27.783 525 HD1 PHE 66 HD1 PHE 66 -7.183 6.697 -26.187 526 HD2 PHE 66 HD2 PHE 66 -9.902 9.940 -27.069 527 HE1 PHE 66 HE1 PHE 66 -5.823 8.239 -24.801 528 HE2 PHE 66 HE2 PHE 66 -8.491 11.478 -25.739 529 HZ PHE 66 HZ PHE 66 -6.452 10.629 -24.594 530 H SER 67 H SER 67 -8.782 4.524 -24.974 531 HA SER 67 HA SER 67 -7.767 2.577 -26.962 532 1HB SER 67 1HB SER 67 -6.174 3.981 -24.790 533 2HB SER 67 2HB SER 67 -5.603 2.566 -25.688 534 HG SER 67 HG SER 67 -5.758 3.783 -27.598 535 H LYS 68 H LYS 68 -7.558 0.451 -26.052 536 HA LYS 68 HA LYS 68 -8.866 -0.066 -23.501 537 1HB LYS 68 1HB LYS 68 -10.895 -1.116 -24.544 538 2HB LYS 68 2HB LYS 68 -10.812 0.631 -24.606 539 1HG LYS 68 1HG LYS 68 -11.743 -0.095 -26.616 540 2HG LYS 68 2HG LYS 68 -10.149 0.549 -26.987 541 1HD LYS 68 1HD LYS 68 -9.249 -1.666 -27.337 542 2HD LYS 68 2HD LYS 68 -10.691 -2.446 -26.678 543 1HE LYS 68 1HE LYS 68 -10.634 -0.723 -29.204 544 2HE LYS 68 2HE LYS 68 -10.471 -2.480 -29.202 545 1HZ LYS 68 1HZ LYS 68 -12.859 -1.009 -28.242 546 2HZ LYS 68 2HZ LYS 68 -12.740 -1.838 -29.638 547 3HZ LYS 68 3HZ LYS 68 -12.686 -2.636 -28.223 548 H VAL 69 H VAL 69 -9.364 -2.443 -23.240 549 HA VAL 69 HA VAL 69 -7.182 -3.985 -24.537 550 HB VAL 69 HB VAL 69 -7.196 -5.391 -22.575 551 1HG1 VAL 69 1HG1 VAL 69 -5.771 -3.382 -22.636 552 2HG1 VAL 69 2HG1 VAL 69 -7.024 -2.452 -21.791 553 3HG1 VAL 69 3HG1 VAL 69 -6.236 -3.825 -20.985 554 1HG2 VAL 69 1HG2 VAL 69 -9.569 -5.198 -21.855 555 2HG2 VAL 69 2HG2 VAL 69 -8.424 -4.893 -20.551 556 3HG2 VAL 69 3HG2 VAL 69 -9.260 -3.528 -21.328 557 H THR 70 H THR 70 -7.554 -6.159 -25.094 558 HA THR 70 HA THR 70 -10.333 -7.191 -24.973 559 HB THR 70 HB THR 70 -9.716 -8.555 -27.015 560 HG1 THR 70 HG1 THR 70 -7.532 -8.329 -27.156 561 1HG2 THR 70 1HG2 THR 70 -10.180 -6.780 -28.622 562 2HG2 THR 70 2HG2 THR 70 -11.162 -6.534 -27.170 563 3HG2 THR 70 3HG2 THR 70 -9.721 -5.531 -27.446 564 H ASP 71 H ASP 71 -7.018 -7.454 -23.971 565 HA ASP 71 HA ASP 71 -7.716 -9.835 -22.419 566 1HB ASP 71 1HB ASP 71 -6.652 -10.827 -24.407 567 2HB ASP 71 2HB ASP 71 -5.299 -9.701 -24.271 568 H ILE 72 H ILE 72 -6.489 -9.912 -20.478 569 HA ILE 72 HA ILE 72 -4.456 -7.894 -19.945 570 HB ILE 72 HB ILE 72 -6.434 -6.600 -19.520 571 1HG1 ILE 72 1HG1 ILE 72 -5.482 -7.523 -16.784 572 2HG1 ILE 72 2HG1 ILE 72 -4.467 -6.584 -17.869 573 1HG2 ILE 72 1HG2 ILE 72 -8.145 -8.351 -19.268 574 2HG2 ILE 72 2HG2 ILE 72 -7.474 -8.792 -17.681 575 3HG2 ILE 72 3HG2 ILE 72 -8.212 -7.201 -17.941 576 1HD1 ILE 72 1HD1 ILE 72 -5.485 -5.077 -16.297 577 2HD1 ILE 72 2HD1 ILE 72 -6.213 -4.769 -17.884 578 3HD1 ILE 72 3HD1 ILE 72 -7.107 -5.689 -16.648 579 H SER 73 H SER 73 -3.084 -8.548 -18.324 580 HA SER 73 HA SER 73 -3.779 -10.850 -16.592 581 1HB SER 73 1HB SER 73 -1.147 -10.492 -18.109 582 2HB SER 73 2HB SER 73 -1.509 -11.759 -16.927 583 HG SER 73 HG SER 73 -2.742 -11.349 -19.460 584 H VAL 74 H VAL 74 -2.847 -10.607 -14.514 585 HA VAL 74 HA VAL 74 -1.413 -8.070 -13.946 586 HB VAL 74 HB VAL 74 -3.939 -9.032 -12.527 587 1HG1 VAL 74 1HG1 VAL 74 -3.876 -6.804 -11.422 588 2HG1 VAL 74 2HG1 VAL 74 -2.481 -7.793 -11.008 589 3HG1 VAL 74 3HG1 VAL 74 -2.304 -6.479 -12.183 590 1HG2 VAL 74 1HG2 VAL 74 -4.653 -8.209 -14.672 591 2HG2 VAL 74 2HG2 VAL 74 -5.028 -6.986 -13.468 592 3HG2 VAL 74 3HG2 VAL 74 -3.625 -6.766 -14.535 593 H THR 75 H THR 75 0.000 -8.243 -12.298 594 HA THR 75 HA THR 75 -0.095 -10.481 -10.380 595 HB THR 75 HB THR 75 2.452 -9.425 -11.698 596 HG1 THR 75 HG1 THR 75 1.264 -10.637 -13.174 597 1HG2 THR 75 1HG2 THR 75 1.973 -11.793 -9.834 598 2HG2 THR 75 2HG2 THR 75 3.493 -11.471 -10.699 599 3HG2 THR 75 3HG2 THR 75 2.920 -10.327 -9.486 600 H GLU 76 H GLU 76 0.944 -9.706 -8.291 601 HA GLU 76 HA GLU 76 1.424 -6.796 -8.162 602 1HB GLU 76 1HB GLU 76 -0.437 -8.335 -6.311 603 2HB GLU 76 2HB GLU 76 0.210 -6.722 -5.974 604 1HG GLU 76 1HG GLU 76 -0.847 -5.863 -8.058 605 2HG GLU 76 2HG GLU 76 -1.575 -7.448 -8.336 606 H SER 77 H SER 77 2.954 -6.244 -6.667 607 HA SER 77 HA SER 77 4.563 -8.428 -5.436 608 1HB SER 77 1HB SER 77 5.618 -6.203 -7.239 609 2HB SER 77 2HB SER 77 6.558 -7.509 -6.496 610 HG SER 77 HG SER 77 6.096 -7.999 -8.654 611 H ARG 78 H ARG 78 5.977 -7.521 -3.675 612 HA ARG 78 HA ARG 78 4.579 -5.197 -2.483 613 1HB ARG 78 1HB ARG 78 6.826 -6.642 -1.108 614 2HB ARG 78 2HB ARG 78 5.426 -5.795 -0.433 615 1HG ARG 78 1HG ARG 78 5.422 -8.515 -1.803 616 2HG ARG 78 2HG ARG 78 5.262 -8.209 -0.078 617 1HD ARG 78 1HD ARG 78 3.097 -7.218 -0.337 618 2HD ARG 78 2HD ARG 78 3.258 -7.130 -2.091 619 HE ARG 78 HE ARG 78 2.884 -9.599 -0.457 620 1HH1 ARG 78 1HH2 ARG 78 2.589 -8.005 -3.600 621 2HH1 ARG 78 2HH2 ARG 78 2.250 -9.451 -4.490 622 1HH2 ARG 78 1HH1 ARG 78 2.207 -11.497 -1.571 623 2HH2 ARG 78 2HH1 ARG 78 1.851 -11.446 -3.254 624 H SER 79 H SER 79 7.629 -5.876 -4.068 625 HA SER 79 HA SER 79 9.227 -3.859 -3.014 626 1HB SER 79 1HB SER 79 9.274 -4.935 -5.861 627 2HB SER 79 2HB SER 79 10.633 -4.287 -4.922 628 HG SER 79 HG SER 79 10.606 -6.577 -4.924 629 H LEU 80 H LEU 80 8.695 -1.741 -2.946 630 HA LEU 80 HA LEU 80 7.424 -0.224 -5.037 631 1HB LEU 80 1HB LEU 80 9.418 0.826 -2.998 632 2HB LEU 80 2HB LEU 80 8.135 1.711 -3.817 633 HG LEU 80 HG LEU 80 7.841 -0.374 -1.628 634 1HD1 LEU 80 1HD1 LEU 80 8.487 1.886 -0.895 635 2HD1 LEU 80 2HD1 LEU 80 7.089 2.576 -1.744 636 3HD1 LEU 80 3HD1 LEU 80 6.849 1.482 -0.362 637 1HD2 LEU 80 1HD2 LEU 80 5.987 -0.693 -3.261 638 2HD2 LEU 80 2HD2 LEU 80 5.449 -0.070 -1.720 639 3HD2 LEU 80 3HD2 LEU 80 5.586 1.029 -3.118 640 H GLU 81 H GLU 81 8.804 1.775 -5.964 641 HA GLU 81 HA GLU 81 11.359 0.751 -7.120 642 1HB GLU 81 1HB GLU 81 9.101 2.284 -8.482 643 2HB GLU 81 2HB GLU 81 10.649 1.899 -9.224 644 1HG GLU 81 1HG GLU 81 8.548 -0.096 -8.321 645 2HG GLU 81 2HG GLU 81 8.895 0.389 -9.970 646 H GLY 82 H GLY 82 9.984 3.097 -5.161 647 1HA GLY 82 1HA GLY 82 10.743 5.077 -4.318 648 2HA GLY 82 2HA GLY 82 12.297 4.834 -5.140 649 H HIS 83 H HIS 83 9.132 4.800 -6.797 650 HA HIS 83 HA HIS 83 10.089 7.041 -8.520 651 1HB HIS 83 1HB HIS 83 8.163 4.735 -8.915 652 2HB HIS 83 2HB HIS 83 8.018 6.194 -9.886 653 HD1 HIS 83 HD1 HIS 83 11.329 4.293 -8.982 654 HD2 HIS 83 HD2 HIS 83 8.982 5.703 -12.193 655 HE1 HIS 83 HE1 HIS 83 12.683 3.900 -11.092 656 H HIS 84 H HIS 84 8.789 8.807 -8.957 657 HA HIS 84 HA HIS 84 6.399 9.273 -7.243 658 1HB HIS 84 1HB HIS 84 8.797 11.127 -7.572 659 2HB HIS 84 2HB HIS 84 7.314 11.519 -6.708 660 HD1 HIS 84 HD1 HIS 84 6.875 10.074 -4.368 661 HD2 HIS 84 HD2 HIS 84 10.645 9.770 -6.221 662 HE1 HIS 84 HE1 HIS 84 8.444 9.072 -2.634 663 H ARG 85 H ARG 85 7.029 8.782 -10.284 664 HA ARG 85 HA ARG 85 5.130 10.751 -11.268 665 1HB ARG 85 1HB ARG 85 6.508 11.485 -13.149 666 2HB ARG 85 2HB ARG 85 7.265 11.941 -11.626 667 1HG ARG 85 1HG ARG 85 8.863 10.042 -11.836 668 2HG ARG 85 2HG ARG 85 8.069 9.530 -13.330 669 1HD ARG 85 1HD ARG 85 10.073 10.724 -13.890 670 2HD ARG 85 2HD ARG 85 8.687 11.667 -14.413 671 HE ARG 85 HE ARG 85 10.485 12.197 -12.087 672 1HH1 ARG 85 1HH2 ARG 85 7.982 13.448 -14.281 673 2HH1 ARG 85 2HH2 ARG 85 8.119 15.075 -13.728 674 1HH2 ARG 85 2HH1 ARG 85 10.666 14.359 -11.363 675 2HH2 ARG 85 1HH1 ARG 85 9.685 15.601 -12.040 676 H PHE 86 H PHE 86 4.531 10.130 -13.578 677 HA PHE 86 HA PHE 86 4.753 7.209 -14.026 678 1HB PHE 86 1HB PHE 86 3.150 7.617 -15.851 679 2HB PHE 86 2HB PHE 86 2.520 7.990 -14.261 680 HD1 PHE 86 HD1 PHE 86 1.637 10.148 -13.752 681 HD2 PHE 86 HD2 PHE 86 3.874 9.556 -17.397 682 HE1 PHE 86 HE1 PHE 86 1.018 12.432 -14.518 683 HE2 PHE 86 HE2 PHE 86 3.217 11.817 -18.168 684 HZ PHE 86 HZ PHE 86 1.794 13.262 -16.727 685 H SER 87 H SER 87 5.698 6.466 -15.995 686 HA SER 87 HA SER 87 7.122 8.431 -17.727 687 1HB SER 87 1HB SER 87 8.273 5.872 -16.536 688 2HB SER 87 2HB SER 87 9.104 6.974 -17.644 689 HG SER 87 HG SER 87 9.683 7.337 -15.464 690 H ILE 88 H ILE 88 7.707 7.571 -19.838 691 HA ILE 88 HA ILE 88 6.156 5.184 -20.703 692 HB ILE 88 HB ILE 88 6.357 7.808 -22.249 693 1HG1 ILE 88 1HG1 ILE 88 3.991 6.623 -20.727 694 2HG1 ILE 88 2HG1 ILE 88 4.839 8.117 -20.336 695 1HG2 ILE 88 1HG2 ILE 88 6.258 5.729 -23.622 696 2HG2 ILE 88 2HG2 ILE 88 4.780 5.250 -22.748 697 3HG2 ILE 88 3HG2 ILE 88 4.795 6.681 -23.805 698 1HD1 ILE 88 1HD1 ILE 88 2.787 8.722 -21.362 699 2HD1 ILE 88 2HD1 ILE 88 4.065 9.073 -22.540 700 3HD1 ILE 88 3HD1 ILE 88 3.029 7.638 -22.735 701 H VAL 89 H VAL 89 7.637 3.737 -21.294 702 HA VAL 89 HA VAL 89 10.417 4.406 -21.530 703 HB VAL 89 HB VAL 89 8.923 1.827 -22.206 704 1HG1 VAL 89 1HG1 VAL 89 11.199 1.791 -23.144 705 2HG1 VAL 89 2HG1 VAL 89 11.874 2.281 -21.572 706 3HG1 VAL 89 3HG1 VAL 89 11.087 0.701 -21.765 707 1HG2 VAL 89 1HG2 VAL 89 9.647 1.099 -19.915 708 2HG2 VAL 89 2HG2 VAL 89 10.215 2.749 -19.597 709 3HG2 VAL 89 3HG2 VAL 89 8.490 2.426 -19.873 710 H TYR 90 H TYR 90 11.680 4.678 -23.361 711 HA TYR 90 HA TYR 90 10.407 4.402 -26.042 712 1HB TYR 90 1HB TYR 90 10.192 6.723 -25.123 713 2HB TYR 90 2HB TYR 90 11.944 6.819 -25.025 714 HD1 TYR 90 HD1 TYR 90 9.073 6.393 -27.393 715 HD2 TYR 90 HD2 TYR 90 13.233 7.456 -26.955 716 HE1 TYR 90 HE1 TYR 90 9.103 7.205 -29.730 717 HE2 TYR 90 HE2 TYR 90 13.274 8.277 -29.292 718 HH TYR 90 HH TYR 90 10.381 8.165 -31.429 719 H SER 91 H SER 91 13.260 4.044 -24.039 720 HA SER 91 HA SER 91 14.802 2.967 -26.299 721 1HB SER 91 1HB SER 91 15.912 5.018 -24.326 722 2HB SER 91 2HB SER 91 16.801 4.198 -25.614 723 HG SER 91 HG SER 91 16.147 6.322 -26.225 Start of MODEL 15 1 1H MET 1 1H MET 1 3.044 -0.046 2.438 2 2H MET 1 2H MET 1 2.801 -1.626 2.064 3 3H MET 1 3H MET 1 4.204 -0.906 1.651 4 HA MET 1 HA MET 1 1.554 -0.220 0.600 5 1HB MET 1 1HB MET 1 3.597 1.543 0.749 6 2HB MET 1 2HB MET 1 4.069 0.721 -0.741 7 1HG MET 1 1HG MET 1 1.707 1.158 -1.580 8 2HG MET 1 2HG MET 1 1.404 2.069 -0.113 9 1HE MET 1 1HE MET 1 4.876 2.348 -2.338 10 2HE MET 1 2HE MET 1 3.525 1.682 -3.278 11 3HE MET 1 3HE MET 1 4.137 3.318 -3.624 12 H LEU 2 H LEU 2 1.986 -0.519 -2.167 13 HA LEU 2 HA LEU 2 2.810 -3.342 -2.471 14 1HB LEU 2 1HB LEU 2 0.242 -2.685 -1.834 15 2HB LEU 2 2HB LEU 2 0.212 -2.309 -3.538 16 HG LEU 2 HG LEU 2 1.223 -4.735 -3.825 17 1HD1 LEU 2 1HD1 LEU 2 0.531 -6.295 -2.066 18 2HD1 LEU 2 2HD1 LEU 2 1.667 -5.095 -1.420 19 3HD1 LEU 2 3HD1 LEU 2 -0.067 -4.953 -1.074 20 1HD2 LEU 2 1HD2 LEU 2 -1.020 -4.109 -4.611 21 2HD2 LEU 2 2HD2 LEU 2 -1.043 -5.714 -3.872 22 3HD2 LEU 2 3HD2 LEU 2 -1.664 -4.319 -2.966 23 H GLN 3 H GLN 3 2.230 -3.838 -4.955 24 HA GLN 3 HA GLN 3 2.811 -1.661 -6.817 25 1HB GLN 3 1HB GLN 3 5.033 -2.137 -6.093 26 2HB GLN 3 2HB GLN 3 4.719 -3.859 -5.936 27 1HG GLN 3 1HG GLN 3 4.774 -4.176 -8.344 28 2HG GLN 3 2HG GLN 3 4.913 -2.431 -8.596 29 1HE2 GLN 3 2HE2 GLN 3 6.920 -2.504 -9.628 30 2HE2 GLN 3 1HE2 GLN 3 8.403 -2.846 -8.759 31 H TYR 4 H TYR 4 2.537 -2.421 -9.055 32 HA TYR 4 HA TYR 4 1.439 -5.161 -9.312 33 1HB TYR 4 1HB TYR 4 -0.088 -4.549 -11.027 34 2HB TYR 4 2HB TYR 4 -0.443 -3.674 -9.566 35 HD1 TYR 4 HD1 TYR 4 -1.575 -1.746 -10.202 36 HD2 TYR 4 HD2 TYR 4 1.818 -2.902 -12.600 37 HE1 TYR 4 HE1 TYR 4 -1.691 0.386 -11.405 38 HE2 TYR 4 HE2 TYR 4 1.716 -0.768 -13.774 39 HH TYR 4 HH TYR 4 -0.742 1.719 -13.099 40 H ARG 5 H ARG 5 1.724 -6.084 -11.425 41 HA ARG 5 HA ARG 5 3.383 -4.642 -13.352 42 1HB ARG 5 1HB ARG 5 4.977 -6.172 -12.156 43 2HB ARG 5 2HB ARG 5 3.961 -7.549 -12.607 44 1HG ARG 5 1HG ARG 5 4.380 -7.065 -15.015 45 2HG ARG 5 2HG ARG 5 5.355 -5.649 -14.559 46 1HD ARG 5 1HD ARG 5 6.898 -7.144 -13.296 47 2HD ARG 5 2HD ARG 5 5.933 -8.546 -13.796 48 HE ARG 5 HE ARG 5 6.756 -7.090 -16.124 49 1HH1 ARG 5 1HH2 ARG 5 8.183 -9.183 -13.610 50 2HH1 ARG 5 2HH2 ARG 5 9.468 -9.717 -14.627 51 1HH2 ARG 5 1HH1 ARG 5 8.351 -7.750 -17.392 52 2HH2 ARG 5 2HH1 ARG 5 9.595 -8.882 -16.884 53 H ILE 6 H ILE 6 2.303 -4.866 -15.327 54 HA ILE 6 HA ILE 6 -0.000 -6.759 -15.466 55 HB ILE 6 HB ILE 6 0.013 -3.733 -15.805 56 1HG1 ILE 6 1HG1 ILE 6 -1.656 -5.447 -13.933 57 2HG1 ILE 6 2HG1 ILE 6 -0.199 -4.585 -13.450 58 1HG2 ILE 6 1HG2 ILE 6 -1.350 -4.672 -17.589 59 2HG2 ILE 6 2HG2 ILE 6 -2.268 -5.658 -16.427 60 3HG2 ILE 6 3HG2 ILE 6 -2.392 -3.891 -16.433 61 1HD1 ILE 6 1HD1 ILE 6 -1.243 -2.431 -14.104 62 2HD1 ILE 6 2HD1 ILE 6 -2.777 -3.289 -14.384 63 3HD1 ILE 6 3HD1 ILE 6 -2.058 -3.271 -12.772 64 H ILE 7 H ILE 7 -0.572 -7.276 -17.607 65 HA ILE 7 HA ILE 7 1.066 -6.142 -19.768 66 HB ILE 7 HB ILE 7 0.465 -8.907 -20.363 67 1HG1 ILE 7 1HG1 ILE 7 0.798 -9.323 -17.880 68 2HG1 ILE 7 2HG1 ILE 7 1.768 -10.234 -19.010 69 1HG2 ILE 7 1HG2 ILE 7 2.833 -8.972 -20.977 70 2HG2 ILE 7 2HG2 ILE 7 1.989 -7.545 -21.605 71 3HG2 ILE 7 3HG2 ILE 7 3.073 -7.375 -20.218 72 1HD1 ILE 7 1HD1 ILE 7 3.046 -9.514 -17.018 73 2HD1 ILE 7 2HD1 ILE 7 3.758 -8.931 -18.529 74 3HD1 ILE 7 3HD1 ILE 7 2.842 -7.823 -17.492 75 H VAL 8 H VAL 8 -0.197 -5.717 -21.608 76 HA VAL 8 HA VAL 8 -2.983 -6.732 -21.673 77 HB VAL 8 HB VAL 8 -3.792 -4.436 -22.153 78 1HG1 VAL 8 1HG1 VAL 8 -4.084 -5.419 -19.946 79 2HG1 VAL 8 2HG1 VAL 8 -2.552 -4.710 -19.403 80 3HG1 VAL 8 3HG1 VAL 8 -3.904 -3.663 -19.852 81 1HG2 VAL 8 1HG2 VAL 8 -2.513 -2.460 -21.418 82 2HG2 VAL 8 2HG2 VAL 8 -1.075 -3.473 -21.165 83 3HG2 VAL 8 3HG2 VAL 8 -1.773 -3.274 -22.793 84 H ASP 9 H ASP 9 -4.034 -6.509 -23.712 85 HA ASP 9 HA ASP 9 -2.555 -5.390 -25.983 86 1HB ASP 9 1HB ASP 9 -1.907 -7.725 -26.139 87 2HB ASP 9 2HB ASP 9 -3.582 -8.247 -25.942 88 H GLY 10 H GLY 10 -4.103 -4.894 -27.740 89 1HA GLY 10 1HA GLY 10 -6.769 -4.923 -28.013 90 2HA GLY 10 2HA GLY 10 -6.591 -3.903 -26.572 91 H ARG 11 H ARG 11 -7.335 -2.028 -27.833 92 HA ARG 11 HA ARG 11 -5.156 -0.863 -29.507 93 1HB ARG 11 1HB ARG 11 -7.328 -0.009 -30.211 94 2HB ARG 11 2HB ARG 11 -7.746 0.426 -28.554 95 1HG ARG 11 1HG ARG 11 -7.034 2.418 -29.798 96 2HG ARG 11 2HG ARG 11 -5.927 2.096 -28.468 97 1HD ARG 11 1HD ARG 11 -4.707 2.838 -30.389 98 2HD ARG 11 2HD ARG 11 -4.257 1.181 -29.987 99 HE ARG 11 HE ARG 11 -6.308 1.100 -31.946 100 1HH1 ARG 11 1HH1 ARG 11 -2.910 2.150 -31.649 101 2HH1 ARG 11 2HH1 ARG 11 -2.550 1.883 -33.319 102 1HH2 ARG 11 1HH2 ARG 11 -5.801 0.739 -34.167 103 2HH2 ARG 11 2HH2 ARG 11 -4.225 1.070 -34.774 104 H VAL 12 H VAL 12 -3.494 -0.962 -28.110 105 HA VAL 12 HA VAL 12 -3.721 0.553 -25.560 106 HB VAL 12 HB VAL 12 -2.149 -1.165 -24.592 107 1HG1 VAL 12 1HG1 VAL 12 -4.546 -1.195 -24.052 108 2HG1 VAL 12 2HG1 VAL 12 -4.866 -2.255 -25.437 109 3HG1 VAL 12 3HG1 VAL 12 -3.860 -2.830 -24.100 110 1HG2 VAL 12 1HG2 VAL 12 -1.840 -3.324 -25.572 111 2HG2 VAL 12 2HG2 VAL 12 -2.993 -2.997 -26.878 112 3HG2 VAL 12 3HG2 VAL 12 -1.438 -2.171 -26.851 113 H GLN 13 H GLN 13 -2.474 0.891 -28.548 114 HA GLN 13 HA GLN 13 -0.141 2.313 -27.539 115 1HB GLN 13 1HB GLN 13 -0.000 0.353 -29.877 116 2HB GLN 13 2HB GLN 13 1.278 1.481 -29.449 117 1HG GLN 13 1HG GLN 13 0.359 -0.779 -27.645 118 2HG GLN 13 2HG GLN 13 1.652 -0.912 -28.814 119 1HE2 GLN 13 2HE2 GLN 13 0.733 0.760 -25.769 120 2HE2 GLN 13 1HE2 GLN 13 2.394 0.949 -25.251 121 H GLY 14 H GLY 14 0.571 3.961 -28.837 122 1HA GLY 14 1HA GLY 14 0.451 4.889 -31.215 123 2HA GLY 14 2HA GLY 14 -1.288 5.013 -30.894 124 H VAL 15 H VAL 15 0.046 7.371 -31.381 125 HA VAL 15 HA VAL 15 0.956 8.708 -29.004 126 HB VAL 15 HB VAL 15 0.412 10.793 -30.292 127 1HG1 VAL 15 1HG1 VAL 15 2.238 10.491 -31.901 128 2HG1 VAL 15 2HG1 VAL 15 2.629 9.713 -30.362 129 3HG1 VAL 15 3HG1 VAL 15 2.119 8.726 -31.748 130 1HG2 VAL 15 1HG2 VAL 15 -0.101 10.670 -32.680 131 2HG2 VAL 15 2HG2 VAL 15 -0.281 8.910 -32.603 132 3HG2 VAL 15 3HG2 VAL 15 -1.429 9.968 -31.755 133 H GLY 16 H GLY 16 -0.194 9.446 -27.294 134 1HA GLY 16 1HA GLY 16 -2.018 9.951 -25.947 135 2HA GLY 16 2HA GLY 16 -3.088 9.856 -27.345 136 H PHE 17 H PHE 17 -2.659 7.334 -28.319 137 HA PHE 17 HA PHE 17 -4.257 5.756 -26.654 138 1HB PHE 17 1HB PHE 17 -2.643 5.028 -29.090 139 2HB PHE 17 2HB PHE 17 -3.792 3.942 -28.333 140 HD1 PHE 17 HD1 PHE 17 -6.246 4.540 -28.275 141 HD2 PHE 17 HD2 PHE 17 -3.376 6.709 -30.655 142 HE1 PHE 17 HE1 PHE 17 -8.079 5.410 -29.698 143 HE2 PHE 17 HE2 PHE 17 -5.215 7.605 -32.050 144 HZ PHE 17 HZ PHE 17 -7.571 6.959 -31.579 145 H ARG 18 H ARG 18 -0.772 6.012 -26.325 146 HA ARG 18 HA ARG 18 -1.268 3.992 -24.175 147 1HB ARG 18 1HB ARG 18 0.855 3.242 -24.017 148 2HB ARG 18 2HB ARG 18 0.513 3.250 -25.735 149 1HG ARG 18 1HG ARG 18 1.957 5.242 -26.036 150 2HG ARG 18 2HG ARG 18 2.249 5.306 -24.277 151 1HD ARG 18 1HD ARG 18 3.215 3.019 -24.332 152 2HD ARG 18 2HD ARG 18 2.890 2.955 -26.086 153 HE ARG 18 HE ARG 18 4.657 5.105 -25.186 154 1HH1 ARG 18 1HH2 ARG 18 4.433 1.861 -26.815 155 2HH1 ARG 18 2HH2 ARG 18 6.169 1.833 -27.038 156 1HH2 ARG 18 1HH1 ARG 18 7.022 4.744 -25.514 157 2HH2 ARG 18 2HH1 ARG 18 7.476 3.439 -26.547 158 H TYR 19 H TYR 19 -0.841 7.312 -24.718 159 HA TYR 19 HA TYR 19 0.346 8.050 -22.199 160 1HB TYR 19 1HB TYR 19 -0.037 9.603 -24.179 161 2HB TYR 19 2HB TYR 19 -1.760 9.567 -23.775 162 HD1 TYR 19 HD1 TYR 19 -2.659 10.843 -21.928 163 HD2 TYR 19 HD2 TYR 19 1.606 10.623 -22.571 164 HE1 TYR 19 HE1 TYR 19 -2.318 12.633 -20.254 165 HE2 TYR 19 HE2 TYR 19 1.957 12.405 -20.893 166 HH TYR 19 HH TYR 19 0.947 13.870 -19.386 167 H PHE 20 H PHE 20 -2.975 7.134 -23.253 168 HA PHE 20 HA PHE 20 -4.365 7.895 -21.031 169 1HB PHE 20 1HB PHE 20 -6.048 6.446 -21.547 170 2HB PHE 20 2HB PHE 20 -5.232 6.583 -23.090 171 HD1 PHE 20 HD1 PHE 20 -6.331 4.323 -20.434 172 HD2 PHE 20 HD2 PHE 20 -3.600 4.681 -23.734 173 HE1 PHE 20 HE1 PHE 20 -6.171 1.858 -20.549 174 HE2 PHE 20 HE2 PHE 20 -3.390 2.203 -23.823 175 HZ PHE 20 HZ PHE 20 -4.703 0.786 -22.253 176 H VAL 21 H VAL 21 -2.205 5.052 -21.177 177 HA VAL 21 HA VAL 21 -2.963 3.897 -18.721 178 HB VAL 21 HB VAL 21 -0.167 3.919 -19.961 179 1HG1 VAL 21 1HG1 VAL 21 -0.004 1.701 -18.892 180 2HG1 VAL 21 2HG1 VAL 21 -0.330 2.955 -17.677 181 3HG1 VAL 21 3HG1 VAL 21 -1.650 1.902 -18.248 182 1HG2 VAL 21 1HG2 VAL 21 -2.571 2.156 -20.594 183 2HG2 VAL 21 2HG2 VAL 21 -1.700 3.226 -21.721 184 3HG2 VAL 21 3HG2 VAL 21 -0.913 1.782 -21.093 185 H GLN 22 H GLN 22 -0.525 6.454 -19.476 186 HA GLN 22 HA GLN 22 0.205 6.696 -16.673 187 1HB GLN 22 1HB GLN 22 0.836 8.380 -19.133 188 2HB GLN 22 2HB GLN 22 1.420 8.749 -17.528 189 1HG GLN 22 1HG GLN 22 2.103 6.386 -19.273 190 2HG GLN 22 2HG GLN 22 3.189 7.572 -18.535 191 1HE2 GLN 22 2HE2 GLN 22 2.397 4.377 -18.354 192 2HE2 GLN 22 1HE2 GLN 22 2.657 4.083 -16.645 193 H MET 23 H MET 23 -2.316 8.134 -18.694 194 HA MET 23 HA MET 23 -2.692 10.294 -16.775 195 1HB MET 23 1HB MET 23 -4.246 11.182 -18.065 196 2HB MET 23 2HB MET 23 -3.402 10.241 -19.284 197 1HG MET 23 1HG MET 23 -5.194 8.551 -19.209 198 2HG MET 23 2HG MET 23 -6.016 9.457 -17.942 199 1HE MET 23 1HE MET 23 -7.736 9.708 -21.733 200 2HE MET 23 2HE MET 23 -6.198 8.831 -21.736 201 3HE MET 23 3HE MET 23 -7.414 8.493 -20.471 202 H GLU 24 H GLU 24 -4.215 7.061 -17.219 203 HA GLU 24 HA GLU 24 -5.917 7.301 -14.918 204 1HB GLU 24 1HB GLU 24 -4.785 4.821 -16.286 205 2HB GLU 24 2HB GLU 24 -6.076 4.840 -15.087 206 1HG GLU 24 1HG GLU 24 -6.182 5.959 -17.915 207 2HG GLU 24 2HG GLU 24 -7.069 4.596 -17.261 208 H ALA 25 H ALA 25 -2.479 6.360 -15.337 209 HA ALA 25 HA ALA 25 -2.115 5.410 -12.661 210 1HB ALA 25 1HB ALA 25 -0.476 5.073 -14.506 211 2HB ALA 25 2HB ALA 25 -0.102 6.817 -14.474 212 3HB ALA 25 3HB ALA 25 0.268 5.809 -13.070 213 H ASP 26 H ASP 26 -1.588 8.656 -14.133 214 HA ASP 26 HA ASP 26 -0.902 10.031 -11.771 215 1HB ASP 26 1HB ASP 26 -0.515 10.970 -13.966 216 2HB ASP 26 2HB ASP 26 -2.240 10.985 -14.328 217 H LYS 27 H LYS 27 -4.163 9.480 -13.238 218 HA LYS 27 HA LYS 27 -5.467 11.094 -11.319 219 1HB LYS 27 1HB LYS 27 -7.452 10.562 -12.320 220 2HB LYS 27 2HB LYS 27 -6.298 10.307 -13.606 221 1HG LYS 27 1HG LYS 27 -7.538 8.457 -13.941 222 2HG LYS 27 2HG LYS 27 -6.428 7.776 -12.745 223 1HD LYS 27 1HD LYS 27 -8.113 8.327 -10.982 224 2HD LYS 27 2HD LYS 27 -9.224 8.834 -12.247 225 1HE LYS 27 1HE LYS 27 -7.981 6.054 -12.247 226 2HE LYS 27 2HE LYS 27 -9.356 6.427 -11.192 227 1HZ LYS 27 1HZ LYS 27 -9.323 6.553 -14.144 228 2HZ LYS 27 2HZ LYS 27 -10.201 5.551 -13.205 229 3HZ LYS 27 3HZ LYS 27 -10.568 7.140 -13.230 230 H ARG 28 H ARG 28 -4.071 7.997 -10.851 231 HA ARG 28 HA ARG 28 -5.382 7.818 -8.158 232 1HB ARG 28 1HB ARG 28 -4.137 5.629 -9.878 233 2HB ARG 28 2HB ARG 28 -4.692 5.401 -8.227 234 1HG ARG 28 1HG ARG 28 -6.477 6.067 -10.587 235 2HG ARG 28 2HG ARG 28 -6.226 4.483 -9.866 236 1HD ARG 28 1HD ARG 28 -8.296 5.236 -9.031 237 2HD ARG 28 2HD ARG 28 -7.147 5.356 -7.686 238 HE ARG 28 HE ARG 28 -7.169 7.857 -8.971 239 1HH1 ARG 28 1HH2 ARG 28 -9.524 5.924 -7.133 240 2HH1 ARG 28 2HH2 ARG 28 -10.387 7.305 -6.573 241 1HH2 ARG 28 1HH1 ARG 28 -8.253 9.622 -8.258 242 2HH2 ARG 28 2HH1 ARG 28 -9.645 9.489 -7.234 243 H LYS 29 H LYS 29 -2.905 9.336 -9.311 244 HA LYS 29 HA LYS 29 -0.804 9.849 -8.707 245 1HB LYS 29 1HB LYS 29 -1.943 9.224 -5.956 246 2HB LYS 29 2HB LYS 29 -0.479 10.148 -6.219 247 1HG LYS 29 1HG LYS 29 -3.059 11.136 -7.478 248 2HG LYS 29 2HG LYS 29 -2.804 11.299 -5.752 249 1HD LYS 29 1HD LYS 29 -2.116 13.350 -6.723 250 2HD LYS 29 2HD LYS 29 -0.691 12.521 -6.127 251 1HE LYS 29 1HE LYS 29 -0.103 13.506 -8.207 252 2HE LYS 29 2HE LYS 29 -0.188 11.771 -8.485 253 1HZ LYS 29 1HZ LYS 29 -2.292 13.744 -9.200 254 2HZ LYS 29 2HZ LYS 29 -1.268 13.011 -10.253 255 3HZ LYS 29 3HZ LYS 29 -2.387 12.123 -9.497 256 H LEU 30 H LEU 30 -1.007 7.178 -9.598 257 HA LEU 30 HA LEU 30 0.753 5.496 -7.947 258 1HB LEU 30 1HB LEU 30 -0.259 5.297 -10.821 259 2HB LEU 30 2HB LEU 30 0.782 4.097 -10.055 260 HG LEU 30 HG LEU 30 -2.049 4.826 -9.190 261 1HD1 LEU 30 1HD1 LEU 30 -1.940 3.528 -11.271 262 2HD1 LEU 30 2HD1 LEU 30 -0.872 2.343 -10.493 263 3HD1 LEU 30 3HD1 LEU 30 -2.559 2.527 -9.949 264 1HD2 LEU 30 1HD2 LEU 30 -0.859 4.186 -7.190 265 2HD2 LEU 30 2HD2 LEU 30 -1.808 2.790 -7.700 266 3HD2 LEU 30 3HD2 LEU 30 -0.065 2.834 -8.035 267 H ALA 31 H ALA 31 2.889 4.786 -8.813 268 HA ALA 31 HA ALA 31 4.257 6.812 -10.508 269 1HB ALA 31 1HB ALA 31 5.250 5.759 -7.818 270 2HB ALA 31 2HB ALA 31 6.162 6.791 -8.937 271 3HB ALA 31 3HB ALA 31 4.704 7.420 -8.153 272 H GLY 32 H GLY 32 5.257 5.735 -12.163 273 1HA GLY 32 1HA GLY 32 6.517 3.177 -12.047 274 2HA GLY 32 2HA GLY 32 4.796 3.004 -12.436 275 H TRP 33 H TRP 33 5.666 2.101 -14.505 276 HA TRP 33 HA TRP 33 5.785 4.286 -16.454 277 1HB TRP 33 1HB TRP 33 7.664 3.240 -17.668 278 2HB TRP 33 2HB TRP 33 8.109 3.831 -16.084 279 HD1 TRP 33 HD1 TRP 33 7.504 0.504 -17.922 280 HE1 TRP 33 HE1 TRP 33 8.854 -1.336 -16.799 281 HE3 TRP 33 HE3 TRP 33 9.093 3.094 -13.802 282 HZ2 TRP 33 HZ2 TRP 33 10.529 -1.631 -14.441 283 HZ3 TRP 33 HZ3 TRP 33 10.545 1.996 -12.119 284 HH2 TRP 33 HH2 TRP 33 11.284 -0.356 -12.439 285 H VAL 34 H VAL 34 5.381 3.635 -18.657 286 HA VAL 34 HA VAL 34 4.254 0.886 -19.041 287 HB VAL 34 HB VAL 34 2.458 2.540 -19.062 288 1HG1 VAL 34 1HG1 VAL 34 3.732 4.499 -19.977 289 2HG1 VAL 34 2HG1 VAL 34 3.756 3.691 -21.553 290 3HG1 VAL 34 3HG1 VAL 34 2.212 4.185 -20.844 291 1HG2 VAL 34 1HG2 VAL 34 2.939 1.349 -21.820 292 2HG2 VAL 34 2HG2 VAL 34 2.283 0.481 -20.416 293 3HG2 VAL 34 3HG2 VAL 34 1.391 1.838 -21.124 294 H LYS 35 H LYS 35 4.827 -0.195 -20.909 295 HA LYS 35 HA LYS 35 6.952 0.925 -22.664 296 1HB LYS 35 1HB LYS 35 7.900 -0.072 -20.511 297 2HB LYS 35 2HB LYS 35 7.097 -1.573 -20.945 298 1HG LYS 35 1HG LYS 35 8.603 -1.370 -23.146 299 2HG LYS 35 2HG LYS 35 9.515 -0.240 -22.179 300 1HD LYS 35 1HD LYS 35 10.539 -2.421 -21.982 301 2HD LYS 35 2HD LYS 35 9.812 -1.999 -20.423 302 1HE LYS 35 1HE LYS 35 7.793 -3.393 -21.058 303 2HE LYS 35 2HE LYS 35 8.610 -3.851 -22.550 304 1HZ LYS 35 1HZ LYS 35 8.731 -5.452 -20.671 305 2HZ LYS 35 2HZ LYS 35 10.213 -5.051 -21.283 306 3HZ LYS 35 3HZ LYS 35 9.701 -4.424 -19.857 307 H ASN 36 H ASN 36 7.038 -0.232 -24.626 308 HA ASN 36 HA ASN 36 4.815 -2.029 -25.391 309 1HB ASN 36 1HB ASN 36 5.917 -0.370 -26.953 310 2HB ASN 36 2HB ASN 36 7.410 -1.302 -26.834 311 1HD2 ASN 36 2HD2 ASN 36 4.110 -1.242 -28.080 312 2HD2 ASN 36 1HD2 ASN 36 4.270 -2.632 -29.142 313 H ARG 37 H ARG 37 5.184 -4.403 -25.952 314 HA ARG 37 HA ARG 37 7.948 -5.290 -25.511 315 1HB ARG 37 1HB ARG 37 7.398 -7.247 -24.248 316 2HB ARG 37 2HB ARG 37 6.925 -5.799 -23.363 317 1HG ARG 37 1HG ARG 37 4.584 -6.151 -23.891 318 2HG ARG 37 2HG ARG 37 4.972 -7.546 -24.916 319 1HD ARG 37 1HD ARG 37 5.529 -7.345 -21.916 320 2HD ARG 37 2HD ARG 37 4.154 -8.160 -22.653 321 HE ARG 37 HE ARG 37 5.574 -9.791 -23.633 322 1HH1 ARG 37 1HH1 ARG 37 7.273 -7.809 -21.129 323 2HH1 ARG 37 2HH1 ARG 37 8.494 -9.002 -20.916 324 1HH2 ARG 37 1HH2 ARG 37 7.230 -11.301 -23.280 325 2HH2 ARG 37 2HH2 ARG 37 8.476 -10.998 -22.134 326 H ASP 38 H ASP 38 8.457 -7.276 -26.528 327 HA ASP 38 HA ASP 38 8.144 -6.672 -29.148 328 1HB ASP 38 1HB ASP 38 10.068 -7.828 -28.191 329 2HB ASP 38 2HB ASP 38 9.105 -9.285 -27.938 330 H ASP 39 H ASP 39 6.241 -9.139 -27.451 331 HA ASP 39 HA ASP 39 5.266 -10.561 -29.710 332 1HB ASP 39 1HB ASP 39 5.039 -11.369 -27.408 333 2HB ASP 39 2HB ASP 39 3.975 -10.017 -27.009 334 H GLY 40 H GLY 40 4.412 -7.389 -28.467 335 1HA GLY 40 1HA GLY 40 3.116 -5.907 -29.956 336 2HA GLY 40 2HA GLY 40 1.969 -7.238 -30.196 337 H ARG 41 H ARG 41 2.559 -7.924 -27.206 338 HA ARG 41 HA ARG 41 0.447 -6.443 -25.894 339 1HB ARG 41 1HB ARG 41 2.625 -8.397 -25.067 340 2HB ARG 41 2HB ARG 41 1.998 -7.339 -23.832 341 1HG ARG 41 1HG ARG 41 0.766 -9.306 -23.618 342 2HG ARG 41 2HG ARG 41 -0.330 -8.131 -24.333 343 1HD ARG 41 1HD ARG 41 0.154 -9.137 -26.599 344 2HD ARG 41 2HD ARG 41 1.159 -10.348 -25.773 345 HE ARG 41 HE ARG 41 -1.480 -10.255 -24.630 346 1HH1 ARG 41 1HH1 ARG 41 0.311 -11.509 -27.457 347 2HH1 ARG 41 2HH1 ARG 41 -0.866 -12.742 -27.788 348 1HH2 ARG 41 1HH2 ARG 41 -2.918 -11.869 -24.997 349 2HH2 ARG 41 2HH2 ARG 41 -2.761 -12.987 -26.333 350 H VAL 42 H VAL 42 0.839 -5.221 -23.945 351 HA VAL 42 HA VAL 42 3.167 -3.367 -24.028 352 HB VAL 42 HB VAL 42 0.233 -2.806 -23.432 353 1HG1 VAL 42 1HG1 VAL 42 1.678 -1.337 -22.084 354 2HG1 VAL 42 2HG1 VAL 42 2.562 -0.849 -23.548 355 3HG1 VAL 42 3HG1 VAL 42 0.847 -0.423 -23.340 356 1HG2 VAL 42 1HG2 VAL 42 0.309 -1.403 -25.458 357 2HG2 VAL 42 2HG2 VAL 42 1.954 -2.024 -25.805 358 3HG2 VAL 42 3HG2 VAL 42 0.550 -3.102 -25.835 359 H GLU 43 H GLU 43 3.795 -2.738 -21.873 360 HA GLU 43 HA GLU 43 2.875 -4.591 -19.741 361 1HB GLU 43 1HB GLU 43 4.903 -5.356 -21.021 362 2HB GLU 43 2HB GLU 43 5.744 -3.892 -20.491 363 1HG GLU 43 1HG GLU 43 5.461 -4.591 -18.133 364 2HG GLU 43 2HG GLU 43 4.553 -6.016 -18.654 365 H ILE 44 H ILE 44 2.817 -3.636 -17.719 366 HA ILE 44 HA ILE 44 3.509 -0.758 -17.504 367 HB ILE 44 HB ILE 44 1.015 -1.885 -16.285 368 1HG1 ILE 44 1HG1 ILE 44 0.932 -0.928 -19.168 369 2HG1 ILE 44 2HG1 ILE 44 0.724 -2.602 -18.644 370 1HG2 ILE 44 1HG2 ILE 44 1.643 0.859 -17.446 371 2HG2 ILE 44 2HG2 ILE 44 0.274 0.435 -16.387 372 3HG2 ILE 44 3HG2 ILE 44 1.911 0.403 -15.761 373 1HD1 ILE 44 1HD1 ILE 44 -1.258 -1.939 -17.292 374 2HD1 ILE 44 2HD1 ILE 44 -1.155 -0.318 -17.999 375 3HD1 ILE 44 3HD1 ILE 44 -1.443 -1.714 -19.043 376 H LEU 45 H LEU 45 4.254 -0.232 -15.399 377 HA LEU 45 HA LEU 45 4.034 -2.277 -13.253 378 1HB LEU 45 1HB LEU 45 5.969 -2.963 -14.558 379 2HB LEU 45 2HB LEU 45 6.660 -1.347 -14.501 380 HG LEU 45 HG LEU 45 6.151 -2.980 -11.973 381 1HD1 LEU 45 1HD1 LEU 45 8.516 -3.711 -12.138 382 2HD1 LEU 45 2HD1 LEU 45 7.542 -4.322 -13.480 383 3HD1 LEU 45 3HD1 LEU 45 8.630 -2.945 -13.742 384 1HD2 LEU 45 1HD2 LEU 45 7.820 -0.530 -12.656 385 2HD2 LEU 45 2HD2 LEU 45 6.676 -0.740 -11.323 386 3HD2 LEU 45 3HD2 LEU 45 8.235 -1.559 -11.275 387 H ALA 46 H ALA 46 3.630 -1.153 -11.352 388 HA ALA 46 HA ALA 46 4.840 1.474 -10.943 389 1HB ALA 46 1HB ALA 46 1.802 1.135 -10.901 390 2HB ALA 46 2HB ALA 46 2.702 2.611 -10.535 391 3HB ALA 46 3HB ALA 46 2.688 1.981 -12.195 392 H GLU 47 H GLU 47 4.757 2.127 -8.775 393 HA GLU 47 HA GLU 47 3.969 0.044 -6.825 394 1HB GLU 47 1HB GLU 47 5.176 1.256 -5.164 395 2HB GLU 47 2HB GLU 47 6.208 0.764 -6.501 396 1HG GLU 47 1HG GLU 47 6.225 3.074 -7.371 397 2HG GLU 47 2HG GLU 47 5.107 3.584 -6.094 398 H GLY 48 H GLY 48 2.453 0.735 -5.086 399 1HA GLY 48 1HA GLY 48 1.520 3.310 -4.637 400 2HA GLY 48 2HA GLY 48 0.417 2.620 -5.834 401 HA PRO 49 HA PRO 49 -0.860 0.973 -1.646 402 1HB PRO 49 1HB PRO 49 -3.193 2.365 -1.245 403 2HB PRO 49 2HB PRO 49 -1.593 2.913 -0.657 404 1HG PRO 49 1HG PRO 49 -3.086 3.796 -3.116 405 2HG PRO 49 2HG PRO 49 -2.179 4.801 -1.951 406 1HD PRO 49 1HD PRO 49 -1.134 3.974 -4.377 407 2HD PRO 49 2HD PRO 49 -0.124 4.263 -2.931 408 H GLU 50 H GLU 50 -2.546 -0.594 -1.472 409 HA GLU 50 HA GLU 50 -3.028 -1.999 -3.809 410 1HB GLU 50 1HB GLU 50 -3.052 -2.907 -1.506 411 2HB GLU 50 2HB GLU 50 -4.592 -2.102 -1.195 412 1HG GLU 50 1HG GLU 50 -5.663 -3.462 -2.986 413 2HG GLU 50 2HG GLU 50 -4.118 -4.246 -3.316 414 H ASN 51 H ASN 51 -5.311 0.223 -2.128 415 HA ASN 51 HA ASN 51 -7.528 -0.302 -3.834 416 1HB ASN 51 1HB ASN 51 -7.781 0.839 -1.672 417 2HB ASN 51 2HB ASN 51 -6.838 2.215 -2.254 418 1HD2 ASN 51 2HD2 ASN 51 -8.024 3.912 -3.188 419 2HD2 ASN 51 1HD2 ASN 51 -9.654 3.749 -3.783 420 H ALA 52 H ALA 52 -4.841 2.043 -4.154 421 HA ALA 52 HA ALA 52 -5.958 3.473 -6.412 422 1HB ALA 52 1HB ALA 52 -3.094 3.145 -5.388 423 2HB ALA 52 2HB ALA 52 -3.587 4.266 -6.661 424 3HB ALA 52 3HB ALA 52 -4.216 4.481 -5.021 425 H LEU 53 H LEU 53 -3.626 0.778 -6.028 426 HA LEU 53 HA LEU 53 -3.056 0.426 -8.793 427 1HB LEU 53 1HB LEU 53 -3.012 -1.524 -6.465 428 2HB LEU 53 2HB LEU 53 -2.340 -1.892 -8.044 429 HG LEU 53 HG LEU 53 -1.376 0.459 -6.354 430 1HD1 LEU 53 1HD1 LEU 53 -1.076 -1.583 -5.110 431 2HD1 LEU 53 2HD1 LEU 53 -0.331 -2.399 -6.505 432 3HD1 LEU 53 3HD1 LEU 53 0.493 -1.033 -5.710 433 1HD2 LEU 53 1HD2 LEU 53 -0.768 0.507 -8.807 434 2HD2 LEU 53 2HD2 LEU 53 0.607 0.441 -7.700 435 3HD2 LEU 53 3HD2 LEU 53 0.107 -1.021 -8.549 436 H GLN 54 H GLN 54 -5.495 -1.171 -6.698 437 HA GLN 54 HA GLN 54 -6.518 -2.767 -8.826 438 1HB GLN 54 1HB GLN 54 -7.589 -2.011 -6.090 439 2HB GLN 54 2HB GLN 54 -8.532 -2.997 -7.205 440 1HG GLN 54 1HG GLN 54 -5.715 -3.695 -6.254 441 2HG GLN 54 2HG GLN 54 -7.199 -4.366 -5.587 442 1HE2 GLN 54 1HE2 GLN 54 -4.737 -5.351 -7.469 443 2HE2 GLN 54 2HE2 GLN 54 -5.599 -6.324 -8.649 444 H SER 55 H SER 55 -7.555 0.428 -7.591 445 HA SER 55 HA SER 55 -9.856 0.660 -9.270 446 1HB SER 55 1HB SER 55 -7.989 2.861 -8.293 447 2HB SER 55 2HB SER 55 -9.632 3.081 -8.925 448 HG SER 55 HG SER 55 -8.786 1.794 -6.547 449 H PHE 56 H PHE 56 -6.402 1.501 -9.839 450 HA PHE 56 HA PHE 56 -6.668 2.437 -12.496 451 1HB PHE 56 1HB PHE 56 -4.653 2.791 -11.266 452 2HB PHE 56 2HB PHE 56 -4.418 1.081 -10.975 453 HD1 PHE 56 HD1 PHE 56 -3.774 -0.480 -12.850 454 HD2 PHE 56 HD2 PHE 56 -3.864 3.810 -13.300 455 HE1 PHE 56 HE1 PHE 56 -2.432 -0.664 -14.922 456 HE2 PHE 56 HE2 PHE 56 -2.496 3.608 -15.348 457 HZ PHE 56 HZ PHE 56 -1.785 1.375 -16.161 458 H VAL 57 H VAL 57 -6.049 -0.961 -11.287 459 HA VAL 57 HA VAL 57 -5.965 -2.122 -13.843 460 HB VAL 57 HB VAL 57 -6.793 -3.195 -11.109 461 1HG1 VAL 57 1HG1 VAL 57 -6.572 -5.503 -12.010 462 2HG1 VAL 57 2HG1 VAL 57 -7.976 -4.653 -12.655 463 3HG1 VAL 57 3HG1 VAL 57 -6.521 -4.832 -13.661 464 1HG2 VAL 57 1HG2 VAL 57 -4.651 -4.251 -11.078 465 2HG2 VAL 57 2HG2 VAL 57 -4.377 -3.907 -12.796 466 3HG2 VAL 57 3HG2 VAL 57 -4.353 -2.594 -11.608 467 H GLU 58 H GLU 58 -8.884 -1.492 -11.775 468 HA GLU 58 HA GLU 58 -10.726 -2.637 -13.601 469 1HB GLU 58 1HB GLU 58 -11.079 -0.379 -11.583 470 2HB GLU 58 2HB GLU 58 -12.402 -1.110 -12.501 471 1HG GLU 58 1HG GLU 58 -11.800 -3.342 -11.557 472 2HG GLU 58 2HG GLU 58 -10.570 -2.569 -10.560 473 H ALA 59 H ALA 59 -9.368 0.647 -13.412 474 HA ALA 59 HA ALA 59 -10.949 1.788 -15.487 475 1HB ALA 59 1HB ALA 59 -9.580 3.088 -13.851 476 2HB ALA 59 2HB ALA 59 -8.107 2.563 -14.686 477 3HB ALA 59 3HB ALA 59 -9.290 3.562 -15.542 478 H VAL 60 H VAL 60 -7.743 0.123 -15.646 479 HA VAL 60 HA VAL 60 -7.446 0.404 -18.492 480 HB VAL 60 HB VAL 60 -6.345 -1.823 -16.709 481 1HG1 VAL 60 1HG1 VAL 60 -5.396 -0.763 -19.410 482 2HG1 VAL 60 2HG1 VAL 60 -4.587 -2.001 -18.424 483 3HG1 VAL 60 3HG1 VAL 60 -6.178 -2.333 -19.113 484 1HG2 VAL 60 1HG2 VAL 60 -4.213 -0.453 -16.777 485 2HG2 VAL 60 2HG2 VAL 60 -5.173 0.915 -17.374 486 3HG2 VAL 60 3HG2 VAL 60 -5.478 0.200 -15.770 487 H LYS 61 H LYS 61 -8.739 -2.299 -16.465 488 HA LYS 61 HA LYS 61 -9.323 -4.056 -18.565 489 1HB LYS 61 1HB LYS 61 -9.204 -4.591 -16.138 490 2HB LYS 61 2HB LYS 61 -10.747 -3.766 -15.881 491 1HG LYS 61 1HG LYS 61 -11.877 -5.382 -17.376 492 2HG LYS 61 2HG LYS 61 -10.339 -6.195 -17.691 493 1HD LYS 61 1HD LYS 61 -11.690 -5.957 -14.963 494 2HD LYS 61 2HD LYS 61 -11.788 -7.361 -16.035 495 1HE LYS 61 1HE LYS 61 -9.310 -7.626 -15.912 496 2HE LYS 61 2HE LYS 61 -9.227 -6.264 -14.786 497 1HZ LYS 61 1HZ LYS 61 -10.669 -8.806 -14.282 498 2HZ LYS 61 2HZ LYS 61 -9.246 -8.379 -13.618 499 3HZ LYS 61 3HZ LYS 61 -10.597 -7.549 -13.240 500 H ASN 62 H ASN 62 -11.400 -1.504 -17.128 501 HA ASN 62 HA ASN 62 -13.713 -2.162 -18.696 502 1HB ASN 62 1HB ASN 62 -13.770 -0.838 -16.576 503 2HB ASN 62 2HB ASN 62 -12.949 0.490 -17.404 504 1HD2 ASN 62 2HD2 ASN 62 -14.361 2.064 -18.166 505 2HD2 ASN 62 1HD2 ASN 62 -16.026 1.768 -18.637 506 H GLY 63 H GLY 63 -10.746 -0.423 -19.489 507 1HA GLY 63 1HA GLY 63 -10.116 0.852 -21.259 508 2HA GLY 63 2HA GLY 63 -11.328 -0.041 -22.202 509 H SER 64 H SER 64 -11.702 2.273 -19.428 510 HA SER 64 HA SER 64 -13.992 3.484 -20.483 511 1HB SER 64 1HB SER 64 -12.158 4.962 -18.598 512 2HB SER 64 2HB SER 64 -13.916 4.910 -18.651 513 HG SER 64 HG SER 64 -12.915 3.656 -16.946 514 HA PRO 65 HA PRO 65 -11.174 6.993 -22.329 515 1HB PRO 65 1HB PRO 65 -8.632 5.420 -22.761 516 2HB PRO 65 2HB PRO 65 -8.840 7.170 -22.425 517 1HG PRO 65 1HG PRO 65 -8.085 5.553 -20.420 518 2HG PRO 65 2HG PRO 65 -9.416 6.711 -20.123 519 1HD PRO 65 1HD PRO 65 -9.657 3.789 -20.953 520 2HD PRO 65 2HD PRO 65 -10.372 4.596 -19.532 521 H PHE 66 H PHE 66 -9.859 7.068 -24.619 522 HA PHE 66 HA PHE 66 -11.387 5.749 -26.632 523 1HB PHE 66 1HB PHE 66 -9.318 6.564 -28.043 524 2HB PHE 66 2HB PHE 66 -10.468 7.699 -27.372 525 HD1 PHE 66 HD1 PHE 66 -7.073 6.199 -26.731 526 HD2 PHE 66 HD2 PHE 66 -9.811 9.426 -25.873 527 HE1 PHE 66 HE1 PHE 66 -5.338 7.327 -25.398 528 HE2 PHE 66 HE2 PHE 66 -8.036 10.577 -24.580 529 HZ PHE 66 HZ PHE 66 -5.791 9.526 -24.331 530 H SER 67 H SER 67 -8.206 4.922 -25.133 531 HA SER 67 HA SER 67 -7.775 2.575 -26.776 532 1HB SER 67 1HB SER 67 -6.666 3.461 -24.083 533 2HB SER 67 2HB SER 67 -6.055 2.100 -25.031 534 HG SER 67 HG SER 67 -4.810 3.734 -25.665 535 H LYS 68 H LYS 68 -7.913 0.339 -25.990 536 HA LYS 68 HA LYS 68 -9.314 -0.201 -23.556 537 1HB LYS 68 1HB LYS 68 -11.319 -1.138 -24.240 538 2HB LYS 68 2HB LYS 68 -11.261 0.397 -25.076 539 1HG LYS 68 1HG LYS 68 -10.762 -2.364 -26.263 540 2HG LYS 68 2HG LYS 68 -12.213 -1.383 -26.427 541 1HD LYS 68 1HD LYS 68 -10.818 0.363 -27.645 542 2HD LYS 68 2HD LYS 68 -9.469 -0.778 -27.579 543 1HE LYS 68 1HE LYS 68 -10.442 -1.007 -29.733 544 2HE LYS 68 2HE LYS 68 -10.822 -2.464 -28.814 545 1HZ LYS 68 1HZ LYS 68 -12.683 -0.197 -29.283 546 2HZ LYS 68 2HZ LYS 68 -12.734 -1.636 -30.040 547 3HZ LYS 68 3HZ LYS 68 -13.054 -1.556 -28.447 548 H VAL 69 H VAL 69 -9.089 -2.359 -22.916 549 HA VAL 69 HA VAL 69 -7.068 -3.846 -24.442 550 HB VAL 69 HB VAL 69 -6.979 -5.312 -22.516 551 1HG1 VAL 69 1HG1 VAL 69 -6.004 -3.772 -20.952 552 2HG1 VAL 69 2HG1 VAL 69 -5.678 -3.175 -22.588 553 3HG1 VAL 69 3HG1 VAL 69 -6.932 -2.404 -21.598 554 1HG2 VAL 69 1HG2 VAL 69 -9.321 -5.268 -21.718 555 2HG2 VAL 69 2HG2 VAL 69 -8.179 -4.874 -20.432 556 3HG2 VAL 69 3HG2 VAL 69 -9.121 -3.580 -21.201 557 H THR 70 H THR 70 -7.383 -5.986 -25.134 558 HA THR 70 HA THR 70 -10.131 -7.114 -25.028 559 HB THR 70 HB THR 70 -9.587 -8.207 -27.224 560 HG1 THR 70 HG1 THR 70 -7.406 -8.015 -27.401 561 1HG2 THR 70 1HG2 THR 70 -9.523 -5.149 -27.340 562 2HG2 THR 70 2HG2 THR 70 -10.057 -6.263 -28.616 563 3HG2 THR 70 3HG2 THR 70 -10.984 -6.136 -27.113 564 H ASP 71 H ASP 71 -6.846 -7.338 -24.079 565 HA ASP 71 HA ASP 71 -7.344 -9.907 -22.773 566 1HB ASP 71 1HB ASP 71 -6.270 -10.671 -24.820 567 2HB ASP 71 2HB ASP 71 -5.076 -9.378 -24.733 568 H ILE 72 H ILE 72 -6.246 -9.901 -20.768 569 HA ILE 72 HA ILE 72 -4.265 -7.878 -20.132 570 HB ILE 72 HB ILE 72 -6.180 -6.503 -19.899 571 1HG1 ILE 72 1HG1 ILE 72 -5.617 -7.428 -17.055 572 2HG1 ILE 72 2HG1 ILE 72 -4.438 -6.545 -18.016 573 1HG2 ILE 72 1HG2 ILE 72 -7.547 -8.617 -18.186 574 2HG2 ILE 72 2HG2 ILE 72 -8.169 -6.996 -18.544 575 3HG2 ILE 72 3HG2 ILE 72 -8.000 -8.162 -19.842 576 1HD1 ILE 72 1HD1 ILE 72 -6.083 -4.663 -18.264 577 2HD1 ILE 72 2HD1 ILE 72 -7.171 -5.522 -17.150 578 3HD1 ILE 72 3HD1 ILE 72 -5.583 -4.978 -16.592 579 H SER 73 H SER 73 -3.030 -8.500 -18.395 580 HA SER 73 HA SER 73 -3.904 -10.691 -16.609 581 1HB SER 73 1HB SER 73 -1.222 -10.592 -18.075 582 2HB SER 73 2HB SER 73 -1.699 -11.781 -16.854 583 HG SER 73 HG SER 73 -1.950 -12.574 -18.985 584 H VAL 74 H VAL 74 -2.960 -10.483 -14.536 585 HA VAL 74 HA VAL 74 -1.495 -7.953 -13.981 586 HB VAL 74 HB VAL 74 -4.063 -8.951 -12.662 587 1HG1 VAL 74 1HG1 VAL 74 -2.674 -7.814 -11.005 588 2HG1 VAL 74 2HG1 VAL 74 -2.444 -6.431 -12.088 589 3HG1 VAL 74 3HG1 VAL 74 -4.050 -6.799 -11.429 590 1HG2 VAL 74 1HG2 VAL 74 -4.625 -7.992 -14.821 591 2HG2 VAL 74 2HG2 VAL 74 -5.104 -6.876 -13.553 592 3HG2 VAL 74 3HG2 VAL 74 -3.633 -6.555 -14.494 593 H THR 75 H THR 75 -0.038 -8.133 -12.361 594 HA THR 75 HA THR 75 -0.101 -10.410 -10.473 595 HB THR 75 HB THR 75 2.405 -9.247 -11.779 596 HG1 THR 75 HG1 THR 75 1.244 -10.399 -13.309 597 1HG2 THR 75 1HG2 THR 75 1.984 -11.725 -10.045 598 2HG2 THR 75 2HG2 THR 75 3.498 -11.304 -10.879 599 3HG2 THR 75 3HG2 THR 75 2.881 -10.252 -9.604 600 H GLU 76 H GLU 76 0.816 -9.697 -8.361 601 HA GLU 76 HA GLU 76 1.257 -6.789 -8.084 602 1HB GLU 76 1HB GLU 76 -0.627 -8.452 -6.379 603 2HB GLU 76 2HB GLU 76 -0.025 -6.846 -5.940 604 1HG GLU 76 1HG GLU 76 -1.008 -5.910 -8.031 605 2HG GLU 76 2HG GLU 76 -1.712 -7.490 -8.395 606 H SER 77 H SER 77 2.555 -6.240 -6.286 607 HA SER 77 HA SER 77 4.311 -8.401 -5.257 608 1HB SER 77 1HB SER 77 5.298 -6.007 -6.862 609 2HB SER 77 2HB SER 77 6.252 -7.384 -6.304 610 HG SER 77 HG SER 77 5.108 -8.695 -7.769 611 H ARG 78 H ARG 78 5.968 -7.461 -3.744 612 HA ARG 78 HA ARG 78 4.993 -4.979 -2.366 613 1HB ARG 78 1HB ARG 78 6.086 -7.598 -1.255 614 2HB ARG 78 2HB ARG 78 6.091 -6.116 -0.323 615 1HG ARG 78 1HG ARG 78 4.245 -7.448 0.340 616 2HG ARG 78 2HG ARG 78 3.665 -5.951 -0.388 617 1HD ARG 78 1HD ARG 78 2.898 -7.077 -2.345 618 2HD ARG 78 2HD ARG 78 3.831 -8.549 -1.955 619 HE ARG 78 HE ARG 78 2.005 -8.038 0.147 620 1HH1 ARG 78 1HH1 ARG 78 1.954 -9.098 -3.248 621 2HH1 ARG 78 2HH1 ARG 78 0.474 -9.967 -3.098 622 1HH2 ARG 78 1HH2 ARG 78 0.037 -9.209 0.343 623 2HH2 ARG 78 2HH2 ARG 78 -0.634 -10.033 -1.010 624 H SER 79 H SER 79 7.412 -6.056 -4.381 625 HA SER 79 HA SER 79 9.783 -5.562 -3.045 626 1HB SER 79 1HB SER 79 9.324 -5.089 -6.007 627 2HB SER 79 2HB SER 79 10.776 -5.699 -5.200 628 HG SER 79 HG SER 79 9.584 -7.387 -6.170 629 H LEU 80 H LEU 80 7.733 -3.302 -4.880 630 HA LEU 80 HA LEU 80 7.674 -1.097 -5.194 631 1HB LEU 80 1HB LEU 80 9.015 -1.142 -2.515 632 2HB LEU 80 2HB LEU 80 9.188 0.322 -3.449 633 HG LEU 80 HG LEU 80 6.792 0.619 -3.616 634 1HD1 LEU 80 1HD1 LEU 80 5.972 -1.705 -3.636 635 2HD1 LEU 80 2HD1 LEU 80 6.522 -1.928 -1.960 636 3HD1 LEU 80 3HD1 LEU 80 5.208 -0.793 -2.343 637 1HD2 LEU 80 1HD2 LEU 80 8.009 1.532 -1.682 638 2HD2 LEU 80 2HD2 LEU 80 6.369 1.075 -1.215 639 3HD2 LEU 80 3HD2 LEU 80 7.732 0.030 -0.773 640 H GLU 81 H GLU 81 9.045 0.856 -5.766 641 HA GLU 81 HA GLU 81 11.553 -0.034 -7.135 642 1HB GLU 81 1HB GLU 81 9.295 1.802 -8.038 643 2HB GLU 81 2HB GLU 81 10.780 1.530 -8.945 644 1HG GLU 81 1HG GLU 81 8.593 -0.501 -8.307 645 2HG GLU 81 2HG GLU 81 8.941 0.228 -9.861 646 H GLY 82 H GLY 82 9.962 2.375 -5.153 647 1HA GLY 82 1HA GLY 82 10.750 4.264 -4.105 648 2HA GLY 82 2HA GLY 82 12.373 4.007 -4.779 649 H HIS 83 H HIS 83 9.425 3.907 -6.786 650 HA HIS 83 HA HIS 83 10.603 5.922 -8.552 651 1HB HIS 83 1HB HIS 83 9.077 3.737 -9.061 652 2HB HIS 83 2HB HIS 83 7.799 4.932 -8.990 653 HD1 HIS 83 HD1 HIS 83 7.500 6.221 -11.334 654 HD2 HIS 83 HD2 HIS 83 11.220 4.313 -10.796 655 HE1 HIS 83 HE1 HIS 83 8.684 6.325 -13.566 656 H HIS 84 H HIS 84 9.895 8.046 -8.778 657 HA HIS 84 HA HIS 84 7.701 9.023 -6.999 658 1HB HIS 84 1HB HIS 84 10.490 10.195 -7.357 659 2HB HIS 84 2HB HIS 84 9.168 10.994 -6.519 660 HD1 HIS 84 HD1 HIS 84 8.661 7.716 -5.212 661 HD2 HIS 84 HD2 HIS 84 11.649 10.656 -4.817 662 HE1 HIS 84 HE1 HIS 84 9.808 7.278 -2.976 663 H ARG 85 H ARG 85 7.881 8.396 -9.944 664 HA ARG 85 HA ARG 85 6.583 10.792 -10.918 665 1HB ARG 85 1HB ARG 85 7.956 11.009 -12.946 666 2HB ARG 85 2HB ARG 85 8.896 11.347 -11.501 667 1HG ARG 85 1HG ARG 85 9.952 9.099 -11.632 668 2HG ARG 85 2HG ARG 85 8.936 8.701 -13.020 669 1HD ARG 85 1HD ARG 85 11.126 9.302 -13.816 670 2HD ARG 85 2HD ARG 85 9.962 10.539 -14.318 671 HE ARG 85 HE ARG 85 11.252 11.194 -11.808 672 1HH1 ARG 85 1HH2 ARG 85 11.789 11.229 -15.315 673 2HH1 ARG 85 2HH2 ARG 85 12.933 12.518 -15.274 674 1HH2 ARG 85 1HH1 ARG 85 12.770 12.924 -11.748 675 2HH2 ARG 85 2HH1 ARG 85 13.504 13.496 -13.196 676 H PHE 86 H PHE 86 5.945 10.151 -13.401 677 HA PHE 86 HA PHE 86 5.348 7.276 -13.545 678 1HB PHE 86 1HB PHE 86 3.002 7.672 -13.957 679 2HB PHE 86 2HB PHE 86 3.451 8.278 -12.392 680 HD1 PHE 86 HD1 PHE 86 3.296 10.673 -11.853 681 HD2 PHE 86 HD2 PHE 86 2.499 9.212 -15.814 682 HE1 PHE 86 HE1 PHE 86 2.338 12.882 -12.470 683 HE2 PHE 86 HE2 PHE 86 1.532 11.426 -16.446 684 HZ PHE 86 HZ PHE 86 1.468 13.267 -14.770 685 H SER 87 H SER 87 5.614 6.538 -15.628 686 HA SER 87 HA SER 87 6.640 8.572 -17.556 687 1HB SER 87 1HB SER 87 8.070 6.137 -16.424 688 2HB SER 87 2HB SER 87 8.739 7.323 -17.556 689 HG SER 87 HG SER 87 9.419 7.850 -15.517 690 H ILE 88 H ILE 88 7.432 7.715 -19.595 691 HA ILE 88 HA ILE 88 6.072 5.251 -20.553 692 HB ILE 88 HB ILE 88 6.308 7.857 -22.128 693 1HG1 ILE 88 1HG1 ILE 88 3.904 6.692 -20.681 694 2HG1 ILE 88 2HG1 ILE 88 4.686 8.239 -20.347 695 1HG2 ILE 88 1HG2 ILE 88 4.686 5.339 -22.694 696 2HG2 ILE 88 2HG2 ILE 88 4.942 6.730 -23.780 697 3HG2 ILE 88 3HG2 ILE 88 6.289 5.662 -23.390 698 1HD1 ILE 88 1HD1 ILE 88 2.644 8.677 -21.475 699 2HD1 ILE 88 2HD1 ILE 88 3.963 9.043 -22.609 700 3HD1 ILE 88 3HD1 ILE 88 3.012 7.540 -22.779 701 H VAL 89 H VAL 89 7.649 3.888 -21.197 702 HA VAL 89 HA VAL 89 10.415 4.743 -21.439 703 HB VAL 89 HB VAL 89 9.070 2.095 -22.144 704 1HG1 VAL 89 1HG1 VAL 89 11.369 1.140 -21.720 705 2HG1 VAL 89 2HG1 VAL 89 11.301 2.173 -23.137 706 3HG1 VAL 89 3HG1 VAL 89 12.001 2.792 -21.620 707 1HG2 VAL 89 1HG2 VAL 89 8.694 2.592 -19.761 708 2HG2 VAL 89 2HG2 VAL 89 9.905 1.328 -19.911 709 3HG2 VAL 89 3HG2 VAL 89 10.409 2.991 -19.547 710 H TYR 90 H TYR 90 11.665 4.624 -23.475 711 HA TYR 90 HA TYR 90 10.384 5.843 -25.685 712 1HB TYR 90 1HB TYR 90 12.982 4.259 -25.652 713 2HB TYR 90 2HB TYR 90 12.478 5.399 -26.889 714 HD1 TYR 90 HD1 TYR 90 11.995 7.865 -26.116 715 HD2 TYR 90 HD2 TYR 90 14.312 5.025 -23.832 716 HE1 TYR 90 HE1 TYR 90 13.036 9.729 -24.865 717 HE2 TYR 90 HE2 TYR 90 15.355 6.883 -22.574 718 HH TYR 90 HH TYR 90 14.546 10.334 -23.196 719 H SER 91 H SER 91 11.289 2.449 -25.096 720 HA SER 91 HA SER 91 10.356 1.287 -27.499 721 1HB SER 91 1HB SER 91 10.395 0.045 -24.715 722 2HB SER 91 2HB SER 91 10.469 -0.795 -26.272 723 HG SER 91 HG SER 91 12.564 -0.560 -25.336 Start of MODEL 16 1 1H MET 1 1H MET 1 4.026 -1.020 1.626 2 2H MET 1 2H MET 1 2.894 -0.104 2.392 3 3H MET 1 3H MET 1 2.583 -1.670 2.012 4 HA MET 1 HA MET 1 1.432 -0.207 0.526 5 1HB MET 1 1HB MET 1 3.542 1.462 0.718 6 2HB MET 1 2HB MET 1 4.017 0.621 -0.760 7 1HG MET 1 1HG MET 1 1.682 1.153 -1.648 8 2HG MET 1 2HG MET 1 1.401 2.091 -0.193 9 1HE MET 1 1HE MET 1 3.520 1.575 -3.337 10 2HE MET 1 2HE MET 1 4.277 3.157 -3.647 11 3HE MET 1 3HE MET 1 4.897 2.112 -2.352 12 H LEU 2 H LEU 2 1.871 -0.531 -2.229 13 HA LEU 2 HA LEU 2 2.556 -3.388 -2.524 14 1HB LEU 2 1HB LEU 2 0.017 -2.539 -1.864 15 2HB LEU 2 2HB LEU 2 -0.006 -2.283 -3.590 16 HG LEU 2 HG LEU 2 0.819 -4.735 -3.786 17 1HD1 LEU 2 1HD1 LEU 2 -0.203 -4.762 -0.908 18 2HD1 LEU 2 2HD1 LEU 2 0.229 -6.186 -1.870 19 3HD1 LEU 2 3HD1 LEU 2 1.478 -5.011 -1.407 20 1HD2 LEU 2 1HD2 LEU 2 -1.945 -4.130 -2.656 21 2HD2 LEU 2 2HD2 LEU 2 -1.470 -4.052 -4.369 22 3HD2 LEU 2 3HD2 LEU 2 -1.495 -5.608 -3.523 23 H GLN 3 H GLN 3 1.957 -3.883 -5.012 24 HA GLN 3 HA GLN 3 2.654 -1.705 -6.852 25 1HB GLN 3 1HB GLN 3 4.832 -2.297 -6.044 26 2HB GLN 3 2HB GLN 3 4.451 -4.014 -6.007 27 1HG GLN 3 1HG GLN 3 4.560 -4.174 -8.429 28 2HG GLN 3 2HG GLN 3 4.741 -2.421 -8.564 29 1HE2 GLN 3 1HE2 GLN 3 6.727 -2.621 -9.662 30 2HE2 GLN 3 2HE2 GLN 3 8.209 -3.001 -8.807 31 H TYR 4 H TYR 4 2.347 -2.383 -9.103 32 HA TYR 4 HA TYR 4 1.284 -5.125 -9.459 33 1HB TYR 4 1HB TYR 4 -0.238 -4.491 -11.165 34 2HB TYR 4 2HB TYR 4 -0.617 -3.633 -9.699 35 HD1 TYR 4 HD1 TYR 4 1.598 -2.872 -12.768 36 HD2 TYR 4 HD2 TYR 4 -1.689 -1.648 -10.263 37 HE1 TYR 4 HE1 TYR 4 1.510 -0.727 -13.934 38 HE2 TYR 4 HE2 TYR 4 -1.785 0.500 -11.449 39 HH TYR 4 HH TYR 4 -0.856 1.818 -13.163 40 H ARG 5 H ARG 5 1.638 -6.005 -11.528 41 HA ARG 5 HA ARG 5 3.253 -4.489 -13.477 42 1HB ARG 5 1HB ARG 5 4.869 -6.105 -12.503 43 2HB ARG 5 2HB ARG 5 3.705 -7.408 -12.738 44 1HG ARG 5 1HG ARG 5 3.826 -6.908 -15.265 45 2HG ARG 5 2HG ARG 5 5.160 -5.813 -14.887 46 1HD ARG 5 1HD ARG 5 6.036 -7.954 -15.593 47 2HD ARG 5 2HD ARG 5 6.392 -7.751 -13.868 48 HE ARG 5 HE ARG 5 3.974 -9.106 -13.907 49 1HH1 ARG 5 1HH2 ARG 5 7.176 -9.810 -15.275 50 2HH1 ARG 5 2HH2 ARG 5 6.975 -11.520 -15.189 51 1HH2 ARG 5 1HH1 ARG 5 3.708 -11.287 -13.762 52 2HH2 ARG 5 2HH1 ARG 5 4.928 -12.404 -14.308 53 H ILE 6 H ILE 6 2.160 -4.683 -15.486 54 HA ILE 6 HA ILE 6 -0.160 -6.542 -15.651 55 HB ILE 6 HB ILE 6 -0.110 -3.520 -16.027 56 1HG1 ILE 6 1HG1 ILE 6 -1.894 -5.209 -14.233 57 2HG1 ILE 6 2HG1 ILE 6 -0.440 -4.393 -13.677 58 1HG2 ILE 6 1HG2 ILE 6 -2.485 -3.672 -16.760 59 2HG2 ILE 6 2HG2 ILE 6 -1.397 -4.460 -17.877 60 3HG2 ILE 6 3HG2 ILE 6 -2.363 -5.443 -16.749 61 1HD1 ILE 6 1HD1 ILE 6 -2.256 -3.023 -13.065 62 2HD1 ILE 6 2HD1 ILE 6 -1.400 -2.212 -14.385 63 3HD1 ILE 6 3HD1 ILE 6 -2.950 -3.042 -14.693 64 H ILE 7 H ILE 7 -0.541 -7.222 -17.763 65 HA ILE 7 HA ILE 7 1.030 -5.994 -19.927 66 HB ILE 7 HB ILE 7 0.685 -8.801 -20.492 67 1HG1 ILE 7 1HG1 ILE 7 1.029 -9.183 -18.020 68 2HG1 ILE 7 2HG1 ILE 7 2.101 -9.999 -19.130 69 1HG2 ILE 7 1HG2 ILE 7 3.053 -8.656 -21.124 70 2HG2 ILE 7 2HG2 ILE 7 2.094 -7.301 -21.743 71 3HG2 ILE 7 3HG2 ILE 7 3.159 -7.056 -20.350 72 1HD1 ILE 7 1HD1 ILE 7 3.270 -9.169 -17.117 73 2HD1 ILE 7 2HD1 ILE 7 3.949 -8.508 -18.610 74 3HD1 ILE 7 3HD1 ILE 7 2.908 -7.501 -17.587 75 H VAL 8 H VAL 8 -0.263 -5.647 -21.714 76 HA VAL 8 HA VAL 8 -2.952 -6.914 -21.791 77 HB VAL 8 HB VAL 8 -3.837 -4.606 -22.372 78 1HG1 VAL 8 1HG1 VAL 8 -4.208 -3.978 -20.049 79 2HG1 VAL 8 2HG1 VAL 8 -4.343 -5.720 -20.286 80 3HG1 VAL 8 3HG1 VAL 8 -2.893 -5.046 -19.519 81 1HG2 VAL 8 1HG2 VAL 8 -1.734 -3.396 -22.705 82 2HG2 VAL 8 2HG2 VAL 8 -2.735 -2.631 -21.471 83 3HG2 VAL 8 3HG2 VAL 8 -1.321 -3.584 -20.984 84 H ASP 9 H ASP 9 -3.953 -6.930 -23.826 85 HA ASP 9 HA ASP 9 -2.583 -5.733 -26.128 86 1HB ASP 9 1HB ASP 9 -1.628 -7.958 -26.154 87 2HB ASP 9 2HB ASP 9 -3.214 -8.698 -25.934 88 H GLY 10 H GLY 10 -4.114 -5.462 -27.897 89 1HA GLY 10 1HA GLY 10 -6.728 -5.884 -28.265 90 2HA GLY 10 2HA GLY 10 -6.756 -4.832 -26.831 91 H ARG 11 H ARG 11 -7.665 -3.089 -28.091 92 HA ARG 11 HA ARG 11 -5.763 -1.726 -29.910 93 1HB ARG 11 1HB ARG 11 -8.123 -1.337 -30.446 94 2HB ARG 11 2HB ARG 11 -8.454 -0.800 -28.803 95 1HG ARG 11 1HG ARG 11 -8.242 1.123 -30.346 96 2HG ARG 11 2HG ARG 11 -7.006 1.168 -29.095 97 1HD ARG 11 1HD ARG 11 -6.043 1.832 -31.186 98 2HD ARG 11 2HD ARG 11 -5.318 0.328 -30.619 99 HE ARG 11 HE ARG 11 -7.490 -0.172 -32.449 100 1HH1 ARG 11 1HH2 ARG 11 -4.087 0.863 -32.315 101 2HH1 ARG 11 2HH2 ARG 11 -3.720 0.328 -33.921 102 1HH2 ARG 11 1HH1 ARG 11 -6.988 -0.899 -34.583 103 2HH2 ARG 11 2HH1 ARG 11 -5.408 -0.689 -35.233 104 H VAL 12 H VAL 12 -4.018 -1.813 -28.464 105 HA VAL 12 HA VAL 12 -4.228 0.006 -26.111 106 HB VAL 12 HB VAL 12 -2.517 -1.382 -25.021 107 1HG1 VAL 12 1HG1 VAL 12 -4.899 -1.759 -24.536 108 2HG1 VAL 12 2HG1 VAL 12 -4.983 -2.987 -25.814 109 3HG1 VAL 12 3HG1 VAL 12 -3.950 -3.248 -24.397 110 1HG2 VAL 12 1HG2 VAL 12 -2.920 -3.429 -27.246 111 2HG2 VAL 12 2HG2 VAL 12 -1.482 -2.408 -27.062 112 3HG2 VAL 12 3HG2 VAL 12 -1.892 -3.571 -25.804 113 H GLN 13 H GLN 13 -3.159 0.144 -29.191 114 HA GLN 13 HA GLN 13 -1.329 2.245 -28.429 115 1HB GLN 13 1HB GLN 13 -0.455 0.072 -30.397 116 2HB GLN 13 2HB GLN 13 0.385 1.599 -30.148 117 1HG GLN 13 1HG GLN 13 0.149 -0.505 -27.974 118 2HG GLN 13 2HG GLN 13 1.439 -0.448 -29.150 119 1HE2 GLN 13 2HE2 GLN 13 0.043 1.282 -26.378 120 2HE2 GLN 13 1HE2 GLN 13 1.488 2.230 -26.044 121 H GLY 14 H GLY 14 -0.860 3.618 -30.424 122 1HA GLY 14 1HA GLY 14 -1.339 4.378 -32.560 123 2HA GLY 14 2HA GLY 14 -2.659 3.213 -32.711 124 H VAL 15 H VAL 15 -3.392 4.424 -29.821 125 HA VAL 15 HA VAL 15 -4.815 6.855 -30.782 126 HB VAL 15 HB VAL 15 -6.849 6.017 -29.633 127 1HG1 VAL 15 1HG1 VAL 15 -6.567 5.708 -32.068 128 2HG1 VAL 15 2HG1 VAL 15 -5.867 4.100 -31.786 129 3HG1 VAL 15 3HG1 VAL 15 -7.546 4.434 -31.329 130 1HG2 VAL 15 1HG2 VAL 15 -5.377 3.344 -29.399 131 2HG2 VAL 15 2HG2 VAL 15 -5.788 4.422 -28.046 132 3HG2 VAL 15 3HG2 VAL 15 -7.072 3.674 -28.995 133 H GLY 16 H GLY 16 -2.388 6.259 -28.944 134 1HA GLY 16 1HA GLY 16 -1.484 7.465 -27.231 135 2HA GLY 16 2HA GLY 16 -3.013 8.327 -27.034 136 H PHE 17 H PHE 17 -3.194 4.825 -26.830 137 HA PHE 17 HA PHE 17 -4.339 4.770 -24.285 138 1HB PHE 17 1HB PHE 17 -4.492 2.873 -25.787 139 2HB PHE 17 2HB PHE 17 -2.753 2.680 -25.777 140 HD1 PHE 17 HD1 PHE 17 -1.643 1.355 -24.108 141 HD2 PHE 17 HD2 PHE 17 -5.783 2.439 -23.553 142 HE1 PHE 17 HE1 PHE 17 -1.812 -0.236 -22.220 143 HE2 PHE 17 HE2 PHE 17 -5.944 0.831 -21.677 144 HZ PHE 17 HZ PHE 17 -3.949 -0.508 -21.011 145 H ARG 18 H ARG 18 -0.824 4.341 -25.105 146 HA ARG 18 HA ARG 18 -0.197 3.755 -22.397 147 1HB ARG 18 1HB ARG 18 2.041 3.750 -22.907 148 2HB ARG 18 2HB ARG 18 1.203 3.092 -24.295 149 1HG ARG 18 1HG ARG 18 1.549 5.242 -25.505 150 2HG ARG 18 2HG ARG 18 2.375 5.902 -24.071 151 1HD ARG 18 1HD ARG 18 4.051 4.067 -24.189 152 2HD ARG 18 2HD ARG 18 3.265 3.445 -25.645 153 HE ARG 18 HE ARG 18 3.752 6.123 -26.202 154 1HH1 ARG 18 1HH2 ARG 18 5.782 3.304 -25.464 155 2HH1 ARG 18 2HH2 ARG 18 7.140 3.882 -26.358 156 1HH2 ARG 18 1HH1 ARG 18 5.549 6.877 -27.393 157 2HH2 ARG 18 2HH1 ARG 18 6.968 5.902 -27.550 158 H TYR 19 H TYR 19 -0.614 6.880 -24.005 159 HA TYR 19 HA TYR 19 0.470 8.404 -21.763 160 1HB TYR 19 1HB TYR 19 0.312 9.334 -24.068 161 2HB TYR 19 2HB TYR 19 -1.445 9.253 -23.974 162 HD1 TYR 19 HD1 TYR 19 -2.716 10.948 -22.808 163 HD2 TYR 19 HD2 TYR 19 1.591 10.847 -22.490 164 HE1 TYR 19 HE1 TYR 19 -2.744 13.176 -21.731 165 HE2 TYR 19 HE2 TYR 19 1.569 13.064 -21.393 166 HH TYR 19 HH TYR 19 0.253 14.835 -20.636 167 H PHE 20 H PHE 20 -2.795 7.293 -22.855 168 HA PHE 20 HA PHE 20 -4.305 8.499 -20.831 169 1HB PHE 20 1HB PHE 20 -5.630 7.551 -22.459 170 2HB PHE 20 2HB PHE 20 -4.669 6.098 -22.573 171 HD1 PHE 20 HD1 PHE 20 -5.223 4.104 -21.391 172 HD2 PHE 20 HD2 PHE 20 -7.210 7.810 -20.418 173 HE1 PHE 20 HE1 PHE 20 -6.826 2.865 -19.944 174 HE2 PHE 20 HE2 PHE 20 -8.815 6.567 -18.993 175 HZ PHE 20 HZ PHE 20 -8.623 4.097 -18.750 176 H VAL 21 H VAL 21 -2.695 5.208 -20.652 177 HA VAL 21 HA VAL 21 -3.616 4.889 -17.992 178 HB VAL 21 HB VAL 21 -1.968 3.168 -17.771 179 1HG1 VAL 21 1HG1 VAL 21 -2.888 1.631 -19.411 180 2HG1 VAL 21 2HG1 VAL 21 -4.160 2.748 -18.894 181 3HG1 VAL 21 3HG1 VAL 21 -3.361 2.970 -20.467 182 1HG2 VAL 21 1HG2 VAL 21 -0.993 3.834 -20.525 183 2HG2 VAL 21 2HG2 VAL 21 -0.058 4.028 -19.027 184 3HG2 VAL 21 3HG2 VAL 21 -0.527 2.410 -19.577 185 H GLN 22 H GLN 22 -0.711 6.648 -19.213 186 HA GLN 22 HA GLN 22 0.330 6.988 -16.534 187 1HB GLN 22 1HB GLN 22 0.797 8.485 -19.144 188 2HB GLN 22 2HB GLN 22 1.524 8.979 -17.645 189 1HG GLN 22 1HG GLN 22 2.065 6.522 -19.275 190 2HG GLN 22 2HG GLN 22 3.190 7.710 -18.609 191 1HE2 GLN 22 2HE2 GLN 22 2.428 4.533 -18.334 192 2HE2 GLN 22 1HE2 GLN 22 2.727 4.274 -16.622 193 H MET 23 H MET 23 -2.178 8.689 -18.376 194 HA MET 23 HA MET 23 -2.407 10.902 -16.503 195 1HB MET 23 1HB MET 23 -4.655 9.650 -18.133 196 2HB MET 23 2HB MET 23 -4.685 11.187 -17.293 197 1HG MET 23 1HG MET 23 -2.811 11.959 -18.814 198 2HG MET 23 2HG MET 23 -3.095 10.504 -19.775 199 1HE MET 23 1HE MET 23 -5.480 10.158 -21.305 200 2HE MET 23 2HE MET 23 -6.166 10.025 -19.661 201 3HE MET 23 3HE MET 23 -6.913 11.097 -20.864 202 H GLU 24 H GLU 24 -4.008 7.670 -16.773 203 HA GLU 24 HA GLU 24 -5.618 8.070 -14.477 204 1HB GLU 24 1HB GLU 24 -4.732 5.507 -15.839 205 2HB GLU 24 2HB GLU 24 -5.962 5.609 -14.571 206 1HG GLU 24 1HG GLU 24 -6.171 7.075 -17.253 207 2HG GLU 24 2HG GLU 24 -6.878 5.498 -16.901 208 H ALA 25 H ALA 25 -2.360 6.733 -14.886 209 HA ALA 25 HA ALA 25 -1.920 5.779 -12.253 210 1HB ALA 25 1HB ALA 25 0.492 6.116 -12.851 211 2HB ALA 25 2HB ALA 25 -0.408 5.313 -14.155 212 3HB ALA 25 3HB ALA 25 -0.000 7.035 -14.279 213 H ASP 26 H ASP 26 -1.326 9.005 -13.737 214 HA ASP 26 HA ASP 26 -0.432 10.278 -11.348 215 1HB ASP 26 1HB ASP 26 -0.019 11.263 -13.505 216 2HB ASP 26 2HB ASP 26 -1.743 11.411 -13.839 217 H LYS 27 H LYS 27 -3.734 9.819 -12.643 218 HA LYS 27 HA LYS 27 -5.172 11.541 -11.042 219 1HB LYS 27 1HB LYS 27 -6.892 10.586 -12.080 220 2HB LYS 27 2HB LYS 27 -5.764 9.467 -12.816 221 1HG LYS 27 1HG LYS 27 -6.192 7.892 -10.827 222 2HG LYS 27 2HG LYS 27 -7.500 9.004 -10.357 223 1HD LYS 27 1HD LYS 27 -8.513 8.671 -12.593 224 2HD LYS 27 2HD LYS 27 -7.148 7.600 -13.011 225 1HE LYS 27 1HE LYS 27 -7.777 5.949 -11.440 226 2HE LYS 27 2HE LYS 27 -8.994 7.002 -10.688 227 1HZ LYS 27 1HZ LYS 27 -9.171 6.136 -13.516 228 2HZ LYS 27 2HZ LYS 27 -9.910 5.322 -12.280 229 3HZ LYS 27 3HZ LYS 27 -10.334 6.859 -12.628 230 H ARG 28 H ARG 28 -4.033 8.332 -10.145 231 HA ARG 28 HA ARG 28 -4.711 8.893 -7.278 232 1HB ARG 28 1HB ARG 28 -4.824 6.402 -8.977 233 2HB ARG 28 2HB ARG 28 -4.509 6.240 -7.247 234 1HG ARG 28 1HG ARG 28 -6.495 7.297 -6.593 235 2HG ARG 28 2HG ARG 28 -6.851 7.885 -8.221 236 1HD ARG 28 1HD ARG 28 -7.820 5.935 -8.868 237 2HD ARG 28 2HD ARG 28 -6.580 4.952 -8.118 238 HE ARG 28 HE ARG 28 -7.896 4.648 -6.274 239 1HH1 ARG 28 1HH2 ARG 28 -9.253 7.465 -7.989 240 2HH1 ARG 28 2HH2 ARG 28 -10.653 7.539 -6.990 241 1HH2 ARG 28 1HH1 ARG 28 -9.661 4.810 -4.938 242 2HH2 ARG 28 2HH1 ARG 28 -10.900 5.998 -5.206 243 H LYS 29 H LYS 29 -2.292 9.723 -8.823 244 HA LYS 29 HA LYS 29 -0.069 9.862 -8.596 245 1HB LYS 29 1HB LYS 29 -0.868 9.746 -5.662 246 2HB LYS 29 2HB LYS 29 0.650 10.399 -6.292 247 1HG LYS 29 1HG LYS 29 -0.610 12.091 -7.608 248 2HG LYS 29 2HG LYS 29 -2.129 11.483 -6.917 249 1HD LYS 29 1HD LYS 29 -1.332 12.063 -4.635 250 2HD LYS 29 2HD LYS 29 0.205 12.612 -5.311 251 1HE LYS 29 1HE LYS 29 -1.121 14.555 -4.881 252 2HE LYS 29 2HE LYS 29 -0.990 14.357 -6.628 253 1HZ LYS 29 1HZ LYS 29 -3.239 13.435 -6.623 254 2HZ LYS 29 2HZ LYS 29 -3.344 13.588 -4.994 255 3HZ LYS 29 3HZ LYS 29 -3.240 14.911 -5.936 256 H LEU 30 H LEU 30 -0.629 7.280 -9.276 257 HA LEU 30 HA LEU 30 1.055 5.403 -7.784 258 1HB LEU 30 1HB LEU 30 0.095 5.496 -10.682 259 2HB LEU 30 2HB LEU 30 1.026 4.179 -9.985 260 HG LEU 30 HG LEU 30 -1.805 4.996 -9.215 261 1HD1 LEU 30 1HD1 LEU 30 -2.390 2.781 -10.127 262 2HD1 LEU 30 2HD1 LEU 30 -1.592 3.765 -11.362 263 3HD1 LEU 30 3HD1 LEU 30 -0.683 2.487 -10.537 264 1HD2 LEU 30 1HD2 LEU 30 -0.750 4.200 -7.190 265 2HD2 LEU 30 2HD2 LEU 30 -1.731 2.874 -7.824 266 3HD2 LEU 30 3HD2 LEU 30 0.026 2.856 -8.065 267 H ALA 31 H ALA 31 3.192 4.732 -8.579 268 HA ALA 31 HA ALA 31 4.634 6.743 -10.249 269 1HB ALA 31 1HB ALA 31 5.687 5.364 -7.760 270 2HB ALA 31 2HB ALA 31 6.645 6.326 -8.901 271 3HB ALA 31 3HB ALA 31 5.352 7.098 -7.947 272 H GLY 32 H GLY 32 5.614 5.683 -12.013 273 1HA GLY 32 1HA GLY 32 6.283 2.930 -12.124 274 2HA GLY 32 2HA GLY 32 4.577 3.111 -12.545 275 H TRP 33 H TRP 33 5.625 2.095 -14.564 276 HA TRP 33 HA TRP 33 5.895 4.301 -16.459 277 1HB TRP 33 1HB TRP 33 7.806 3.265 -17.608 278 2HB TRP 33 2HB TRP 33 8.194 3.795 -15.989 279 HD1 TRP 33 HD1 TRP 33 7.573 0.538 -17.951 280 HE1 TRP 33 HE1 TRP 33 8.844 -1.368 -16.845 281 HE3 TRP 33 HE3 TRP 33 9.108 2.967 -13.709 282 HZ2 TRP 33 HZ2 TRP 33 10.453 -1.770 -14.455 283 HZ3 TRP 33 HZ3 TRP 33 10.498 1.793 -12.033 284 HH2 TRP 33 HH2 TRP 33 11.195 -0.566 -12.404 285 H VAL 34 H VAL 34 5.619 3.646 -18.713 286 HA VAL 34 HA VAL 34 4.386 0.957 -19.166 287 HB VAL 34 HB VAL 34 2.625 2.626 -18.963 288 1HG1 VAL 34 1HG1 VAL 34 2.329 4.404 -20.577 289 2HG1 VAL 34 2HG1 VAL 34 3.892 4.624 -19.778 290 3HG1 VAL 34 3HG1 VAL 34 3.826 3.951 -21.409 291 1HG2 VAL 34 1HG2 VAL 34 2.902 1.662 -21.835 292 2HG2 VAL 34 2HG2 VAL 34 2.334 0.683 -20.473 293 3HG2 VAL 34 3HG2 VAL 34 1.408 2.098 -20.988 294 H LYS 35 H LYS 35 4.838 -0.041 -21.105 295 HA LYS 35 HA LYS 35 6.417 1.359 -23.146 296 1HB LYS 35 1HB LYS 35 8.156 -0.396 -23.190 297 2HB LYS 35 2HB LYS 35 8.196 0.564 -21.720 298 1HG LYS 35 1HG LYS 35 7.191 -1.190 -20.406 299 2HG LYS 35 2HG LYS 35 6.838 -2.161 -21.841 300 1HD LYS 35 1HD LYS 35 9.662 -1.437 -20.973 301 2HD LYS 35 2HD LYS 35 8.814 -2.913 -20.472 302 1HE LYS 35 1HE LYS 35 8.487 -3.534 -22.873 303 2HE LYS 35 2HE LYS 35 9.405 -2.109 -23.358 304 1HZ LYS 35 1HZ LYS 35 10.816 -4.049 -23.320 305 2HZ LYS 35 2HZ LYS 35 11.323 -3.005 -22.162 306 3HZ LYS 35 3HZ LYS 35 10.479 -4.353 -21.751 307 H ASN 36 H ASN 36 6.569 0.046 -25.124 308 HA ASN 36 HA ASN 36 4.345 -1.873 -25.540 309 1HB ASN 36 1HB ASN 36 4.655 -0.303 -27.334 310 2HB ASN 36 2HB ASN 36 6.407 -0.524 -27.327 311 1HD2 ASN 36 2HD2 ASN 36 3.414 -2.618 -27.763 312 2HD2 ASN 36 1HD2 ASN 36 4.207 -3.628 -28.930 313 H ARG 37 H ARG 37 4.807 -4.065 -26.246 314 HA ARG 37 HA ARG 37 7.586 -5.070 -25.783 315 1HB ARG 37 1HB ARG 37 4.905 -6.505 -25.502 316 2HB ARG 37 2HB ARG 37 6.475 -7.310 -25.520 317 1HG ARG 37 1HG ARG 37 7.135 -6.118 -23.446 318 2HG ARG 37 2HG ARG 37 5.575 -5.278 -23.432 319 1HD ARG 37 1HD ARG 37 5.459 -7.163 -21.888 320 2HD ARG 37 2HD ARG 37 4.397 -7.452 -23.251 321 HE ARG 37 HE ARG 37 5.732 -9.187 -23.998 322 1HH1 ARG 37 1HH2 ARG 37 7.243 -7.720 -21.087 323 2HH1 ARG 37 2HH2 ARG 37 8.442 -8.959 -20.971 324 1HH2 ARG 37 1HH1 ARG 37 7.307 -10.822 -23.760 325 2HH2 ARG 37 2HH1 ARG 37 8.450 -10.764 -22.475 326 H ASP 38 H ASP 38 8.388 -6.321 -27.498 327 HA ASP 38 HA ASP 38 7.695 -5.492 -30.055 328 1HB ASP 38 1HB ASP 38 9.895 -6.348 -29.430 329 2HB ASP 38 2HB ASP 38 9.229 -7.963 -29.175 330 H ASP 39 H ASP 39 6.443 -8.302 -28.308 331 HA ASP 39 HA ASP 39 5.326 -9.768 -30.466 332 1HB ASP 39 1HB ASP 39 5.536 -10.673 -28.211 333 2HB ASP 39 2HB ASP 39 4.439 -9.445 -27.574 334 H GLY 40 H GLY 40 4.254 -6.772 -28.941 335 1HA GLY 40 1HA GLY 40 2.653 -5.437 -30.290 336 2HA GLY 40 2HA GLY 40 1.624 -6.876 -30.370 337 H ARG 41 H ARG 41 2.644 -7.421 -27.449 338 HA ARG 41 HA ARG 41 0.445 -6.301 -26.005 339 1HB ARG 41 1HB ARG 41 2.964 -7.814 -25.312 340 2HB ARG 41 2HB ARG 41 2.267 -6.835 -24.039 341 1HG ARG 41 1HG ARG 41 1.391 -8.989 -23.732 342 2HG ARG 41 2HG ARG 41 0.075 -7.995 -24.341 343 1HD ARG 41 1HD ARG 41 0.555 -8.938 -26.659 344 2HD ARG 41 2HD ARG 41 1.729 -10.023 -25.884 345 HE ARG 41 HE ARG 41 -0.809 -10.199 -24.568 346 1HH1 ARG 41 1HH1 ARG 41 0.842 -11.247 -27.554 347 2HH1 ARG 41 2HH1 ARG 41 -0.258 -12.560 -27.833 348 1HH2 ARG 41 1HH2 ARG 41 -2.195 -11.915 -24.898 349 2HH2 ARG 41 2HH2 ARG 41 -2.016 -12.980 -26.268 350 H VAL 42 H VAL 42 0.621 -4.884 -24.155 351 HA VAL 42 HA VAL 42 2.869 -2.940 -24.172 352 HB VAL 42 HB VAL 42 -0.110 -2.468 -23.783 353 1HG1 VAL 42 1HG1 VAL 42 2.138 -0.612 -22.912 354 2HG1 VAL 42 2HG1 VAL 42 0.429 -0.156 -23.043 355 3HG1 VAL 42 3HG1 VAL 42 0.925 -1.380 -21.865 356 1HG2 VAL 42 1HG2 VAL 42 1.979 -1.026 -25.461 357 2HG2 VAL 42 2HG2 VAL 42 0.816 -2.229 -26.072 358 3HG2 VAL 42 3HG2 VAL 42 0.230 -0.704 -25.404 359 H GLU 43 H GLU 43 3.577 -2.461 -22.041 360 HA GLU 43 HA GLU 43 2.673 -4.342 -19.927 361 1HB GLU 43 1HB GLU 43 4.702 -5.182 -21.090 362 2HB GLU 43 2HB GLU 43 5.535 -3.668 -20.722 363 1HG GLU 43 1HG GLU 43 5.212 -4.132 -18.281 364 2HG GLU 43 2HG GLU 43 4.476 -5.684 -18.700 365 H ILE 44 H ILE 44 2.597 -3.381 -17.916 366 HA ILE 44 HA ILE 44 3.392 -0.543 -17.646 367 HB ILE 44 HB ILE 44 0.832 -1.585 -16.476 368 1HG1 ILE 44 1HG1 ILE 44 0.910 -0.658 -19.364 369 2HG1 ILE 44 2HG1 ILE 44 0.469 -2.266 -18.785 370 1HG2 ILE 44 1HG2 ILE 44 0.207 0.727 -16.439 371 2HG2 ILE 44 2HG2 ILE 44 1.887 0.676 -15.944 372 3HG2 ILE 44 3HG2 ILE 44 1.480 1.165 -17.599 373 1HD1 ILE 44 1HD1 ILE 44 -1.543 -1.112 -19.325 374 2HD1 ILE 44 2HD1 ILE 44 -1.469 -1.272 -17.560 375 3HD1 ILE 44 3HD1 ILE 44 -1.100 0.286 -18.340 376 H LEU 45 H LEU 45 4.146 -0.121 -15.492 377 HA LEU 45 HA LEU 45 3.824 -2.234 -13.426 378 1HB LEU 45 1HB LEU 45 5.777 -2.912 -14.710 379 2HB LEU 45 2HB LEU 45 6.495 -1.314 -14.586 380 HG LEU 45 HG LEU 45 5.900 -3.000 -12.115 381 1HD1 LEU 45 1HD1 LEU 45 8.235 -3.810 -12.253 382 2HD1 LEU 45 2HD1 LEU 45 7.271 -4.353 -13.630 383 3HD1 LEU 45 3HD1 LEU 45 8.414 -3.009 -13.832 384 1HD2 LEU 45 1HD2 LEU 45 7.703 -0.618 -12.705 385 2HD2 LEU 45 2HD2 LEU 45 6.493 -0.774 -11.425 386 3HD2 LEU 45 3HD2 LEU 45 7.998 -1.681 -11.321 387 H ALA 46 H ALA 46 3.489 -1.192 -11.447 388 HA ALA 46 HA ALA 46 4.700 1.426 -11.006 389 1HB ALA 46 1HB ALA 46 1.662 1.113 -10.950 390 2HB ALA 46 2HB ALA 46 2.582 2.573 -10.566 391 3HB ALA 46 3HB ALA 46 2.554 1.970 -12.235 392 H GLU 47 H GLU 47 4.744 1.997 -8.838 393 HA GLU 47 HA GLU 47 3.952 -0.048 -6.858 394 1HB GLU 47 1HB GLU 47 5.234 1.152 -5.246 395 2HB GLU 47 2HB GLU 47 6.228 0.722 -6.633 396 1HG GLU 47 1HG GLU 47 6.057 3.057 -7.463 397 2HG GLU 47 2HG GLU 47 5.080 3.492 -6.052 398 H GLY 48 H GLY 48 2.409 0.668 -5.134 399 1HA GLY 48 1HA GLY 48 1.570 3.265 -4.660 400 2HA GLY 48 2HA GLY 48 0.455 2.642 -5.879 401 HA PRO 49 HA PRO 49 -0.960 1.029 -1.725 402 1HB PRO 49 1HB PRO 49 -3.241 2.515 -1.362 403 2HB PRO 49 2HB PRO 49 -1.628 3.004 -0.759 404 1HG PRO 49 1HG PRO 49 -3.052 3.920 -3.249 405 2HG PRO 49 2HG PRO 49 -2.135 4.905 -2.074 406 1HD PRO 49 1HD PRO 49 -1.070 4.027 -4.473 407 2HD PRO 49 2HD PRO 49 -0.076 4.279 -3.007 408 H GLU 50 H GLU 50 -2.773 -0.409 -1.527 409 HA GLU 50 HA GLU 50 -3.239 -1.880 -3.822 410 1HB GLU 50 1HB GLU 50 -3.408 -2.668 -1.467 411 2HB GLU 50 2HB GLU 50 -4.934 -1.800 -1.289 412 1HG GLU 50 1HG GLU 50 -5.936 -3.208 -3.090 413 2HG GLU 50 2HG GLU 50 -4.404 -4.063 -3.269 414 H ASN 51 H ASN 51 -5.504 0.480 -2.296 415 HA ASN 51 HA ASN 51 -7.647 0.003 -4.115 416 1HB ASN 51 1HB ASN 51 -8.006 1.197 -1.996 417 2HB ASN 51 2HB ASN 51 -6.964 2.524 -2.533 418 1HD2 ASN 51 2HD2 ASN 51 -10.103 0.884 -3.143 419 2HD2 ASN 51 1HD2 ASN 51 -10.792 2.192 -4.064 420 H ALA 52 H ALA 52 -4.859 2.247 -4.313 421 HA ALA 52 HA ALA 52 -5.816 3.701 -6.597 422 1HB ALA 52 1HB ALA 52 -4.037 4.619 -5.212 423 2HB ALA 52 2HB ALA 52 -2.991 3.214 -5.547 424 3HB ALA 52 3HB ALA 52 -3.406 4.340 -6.844 425 H LEU 53 H LEU 53 -3.634 0.900 -6.179 426 HA LEU 53 HA LEU 53 -3.040 0.507 -8.930 427 1HB LEU 53 1HB LEU 53 -3.109 -1.414 -6.580 428 2HB LEU 53 2HB LEU 53 -2.418 -1.830 -8.139 429 HG LEU 53 HG LEU 53 -1.416 0.511 -6.451 430 1HD1 LEU 53 1HD1 LEU 53 -0.454 -2.376 -6.578 431 2HD1 LEU 53 2HD1 LEU 53 0.383 -1.029 -5.761 432 3HD1 LEU 53 3HD1 LEU 53 -1.215 -1.541 -5.204 433 1HD2 LEU 53 1HD2 LEU 53 0.597 0.417 -7.758 434 2HD2 LEU 53 2HD2 LEU 53 0.045 -1.009 -8.635 435 3HD2 LEU 53 3HD2 LEU 53 -0.758 0.562 -8.880 436 H GLN 54 H GLN 54 -5.550 -1.016 -6.861 437 HA GLN 54 HA GLN 54 -6.557 -2.623 -8.988 438 1HB GLN 54 1HB GLN 54 -7.672 -1.815 -6.283 439 2HB GLN 54 2HB GLN 54 -8.594 -2.822 -7.396 440 1HG GLN 54 1HG GLN 54 -5.796 -3.502 -6.376 441 2HG GLN 54 2HG GLN 54 -7.291 -4.153 -5.716 442 1HE2 GLN 54 2HE2 GLN 54 -4.856 -5.405 -7.302 443 2HE2 GLN 54 1HE2 GLN 54 -5.668 -6.329 -8.549 444 H SER 55 H SER 55 -7.562 0.609 -7.826 445 HA SER 55 HA SER 55 -9.836 0.838 -9.553 446 1HB SER 55 1HB SER 55 -7.981 3.044 -8.570 447 2HB SER 55 2HB SER 55 -9.622 3.252 -9.208 448 HG SER 55 HG SER 55 -8.780 1.989 -6.815 449 H PHE 56 H PHE 56 -6.348 1.593 -10.052 450 HA PHE 56 HA PHE 56 -6.576 2.532 -12.718 451 1HB PHE 56 1HB PHE 56 -4.573 2.878 -11.452 452 2HB PHE 56 2HB PHE 56 -4.335 1.161 -11.193 453 HD1 PHE 56 HD1 PHE 56 -3.673 3.949 -13.427 454 HD2 PHE 56 HD2 PHE 56 -3.798 -0.368 -13.143 455 HE1 PHE 56 HE1 PHE 56 -2.380 3.739 -15.518 456 HE2 PHE 56 HE2 PHE 56 -2.561 -0.537 -15.278 457 HZ PHE 56 HZ PHE 56 -1.863 1.499 -16.468 458 H VAL 57 H VAL 57 -6.084 -0.878 -11.482 459 HA VAL 57 HA VAL 57 -5.986 -2.059 -14.035 460 HB VAL 57 HB VAL 57 -6.952 -3.127 -11.348 461 1HG1 VAL 57 1HG1 VAL 57 -6.709 -5.419 -12.277 462 2HG1 VAL 57 2HG1 VAL 57 -8.048 -4.540 -13.013 463 3HG1 VAL 57 3HG1 VAL 57 -6.522 -4.728 -13.905 464 1HG2 VAL 57 1HG2 VAL 57 -4.824 -4.223 -11.219 465 2HG2 VAL 57 2HG2 VAL 57 -4.444 -3.831 -12.906 466 3HG2 VAL 57 3HG2 VAL 57 -4.476 -2.554 -11.679 467 H GLU 58 H GLU 58 -8.912 -1.262 -12.037 468 HA GLU 58 HA GLU 58 -10.762 -2.336 -13.902 469 1HB GLU 58 1HB GLU 58 -11.080 -0.049 -11.911 470 2HB GLU 58 2HB GLU 58 -12.402 -0.756 -12.848 471 1HG GLU 58 1HG GLU 58 -11.869 -2.992 -11.858 472 2HG GLU 58 2HG GLU 58 -10.658 -2.224 -10.836 473 H ALA 59 H ALA 59 -9.266 0.896 -13.710 474 HA ALA 59 HA ALA 59 -10.732 2.085 -15.851 475 1HB ALA 59 1HB ALA 59 -7.862 2.692 -15.016 476 2HB ALA 59 2HB ALA 59 -8.959 3.739 -15.928 477 3HB ALA 59 3HB ALA 59 -9.315 3.345 -14.231 478 H VAL 60 H VAL 60 -7.715 0.108 -15.915 479 HA VAL 60 HA VAL 60 -7.364 0.333 -18.769 480 HB VAL 60 HB VAL 60 -6.487 -1.957 -16.920 481 1HG1 VAL 60 1HG1 VAL 60 -5.600 -1.116 -19.701 482 2HG1 VAL 60 2HG1 VAL 60 -4.743 -2.292 -18.674 483 3HG1 VAL 60 3HG1 VAL 60 -6.382 -2.638 -19.246 484 1HG2 VAL 60 1HG2 VAL 60 -4.994 0.574 -17.773 485 2HG2 VAL 60 2HG2 VAL 60 -5.477 0.133 -16.123 486 3HG2 VAL 60 3HG2 VAL 60 -4.268 -0.825 -16.950 487 H LYS 61 H LYS 61 -8.844 -2.235 -16.703 488 HA LYS 61 HA LYS 61 -9.519 -3.960 -18.799 489 1HB LYS 61 1HB LYS 61 -9.360 -4.488 -16.364 490 2HB LYS 61 2HB LYS 61 -10.887 -3.639 -16.087 491 1HG LYS 61 1HG LYS 61 -12.077 -5.256 -17.497 492 2HG LYS 61 2HG LYS 61 -10.545 -6.053 -17.923 493 1HD LYS 61 1HD LYS 61 -10.192 -6.618 -15.524 494 2HD LYS 61 2HD LYS 61 -11.743 -5.879 -15.112 495 1HE LYS 61 1HE LYS 61 -11.356 -8.239 -17.019 496 2HE LYS 61 2HE LYS 61 -11.784 -8.386 -15.315 497 1HZ LYS 61 1HZ LYS 61 -13.834 -7.171 -15.782 498 2HZ LYS 61 2HZ LYS 61 -13.458 -7.067 -17.373 499 3HZ LYS 61 3HZ LYS 61 -13.737 -8.517 -16.690 500 H ASN 62 H ASN 62 -11.439 -1.293 -17.389 501 HA ASN 62 HA ASN 62 -13.866 -1.854 -18.761 502 1HB ASN 62 1HB ASN 62 -13.672 -0.345 -16.800 503 2HB ASN 62 2HB ASN 62 -12.750 0.804 -17.774 504 1HD2 ASN 62 2HD2 ASN 62 -13.985 2.464 -18.621 505 2HD2 ASN 62 1HD2 ASN 62 -15.702 2.356 -18.968 506 H GLY 63 H GLY 63 -10.852 -0.419 -19.958 507 1HA GLY 63 1HA GLY 63 -10.305 0.540 -21.951 508 2HA GLY 63 2HA GLY 63 -11.700 -0.306 -22.650 509 H SER 64 H SER 64 -11.582 2.245 -20.113 510 HA SER 64 HA SER 64 -13.907 3.474 -20.783 511 1HB SER 64 1HB SER 64 -11.531 4.916 -19.570 512 2HB SER 64 2HB SER 64 -13.253 5.195 -19.270 513 HG SER 64 HG SER 64 -12.154 3.931 -17.644 514 HA PRO 65 HA PRO 65 -11.901 7.071 -23.031 515 1HB PRO 65 1HB PRO 65 -9.492 6.945 -24.345 516 2HB PRO 65 2HB PRO 65 -9.658 7.283 -22.596 517 1HG PRO 65 1HG PRO 65 -9.053 4.624 -23.921 518 2HG PRO 65 2HG PRO 65 -8.217 5.382 -22.546 519 1HD PRO 65 1HD PRO 65 -10.122 3.493 -22.201 520 2HD PRO 65 2HD PRO 65 -10.003 4.861 -21.067 521 H PHE 66 H PHE 66 -10.666 4.265 -24.905 522 HA PHE 66 HA PHE 66 -12.661 4.175 -26.897 523 1HB PHE 66 1HB PHE 66 -11.676 6.309 -27.736 524 2HB PHE 66 2HB PHE 66 -10.071 5.593 -27.720 525 HD1 PHE 66 HD1 PHE 66 -9.355 4.053 -29.488 526 HD2 PHE 66 HD2 PHE 66 -13.382 5.605 -29.407 527 HE1 PHE 66 HE1 PHE 66 -9.719 3.238 -31.805 528 HE2 PHE 66 HE2 PHE 66 -13.737 4.792 -31.725 529 HZ PHE 66 HZ PHE 66 -11.908 3.607 -32.928 530 H SER 67 H SER 67 -9.109 3.955 -26.321 531 HA SER 67 HA SER 67 -8.597 1.435 -27.481 532 1HB SER 67 1HB SER 67 -6.838 1.727 -25.360 533 2HB SER 67 2HB SER 67 -6.610 2.354 -26.990 534 HG SER 67 HG SER 67 -6.326 4.053 -25.547 535 H LYS 68 H LYS 68 -8.371 -0.624 -26.442 536 HA LYS 68 HA LYS 68 -9.644 -1.121 -23.917 537 1HB LYS 68 1HB LYS 68 -11.540 -2.527 -24.906 538 2HB LYS 68 2HB LYS 68 -11.725 -0.793 -24.866 539 1HG LYS 68 1HG LYS 68 -12.660 -1.526 -26.886 540 2HG LYS 68 2HG LYS 68 -11.226 -0.607 -27.261 541 1HD LYS 68 1HD LYS 68 -11.484 -2.518 -28.753 542 2HD LYS 68 2HD LYS 68 -9.998 -2.618 -27.845 543 1HE LYS 68 1HE LYS 68 -10.969 -4.815 -27.946 544 2HE LYS 68 2HE LYS 68 -11.076 -4.260 -26.276 545 1HZ LYS 68 1HZ LYS 68 -13.133 -5.290 -27.014 546 2HZ LYS 68 2HZ LYS 68 -13.425 -3.722 -26.695 547 3HZ LYS 68 3HZ LYS 68 -13.302 -4.236 -28.243 548 H VAL 69 H VAL 69 -9.488 -3.344 -23.304 549 HA VAL 69 HA VAL 69 -7.260 -4.661 -24.703 550 HB VAL 69 HB VAL 69 -7.164 -6.079 -22.711 551 1HG1 VAL 69 1HG1 VAL 69 -6.332 -4.386 -21.196 552 2HG1 VAL 69 2HG1 VAL 69 -5.959 -3.898 -22.862 553 3HG1 VAL 69 3HG1 VAL 69 -7.287 -3.117 -21.981 554 1HG2 VAL 69 1HG2 VAL 69 -9.543 -6.097 -22.002 555 2HG2 VAL 69 2HG2 VAL 69 -8.467 -5.599 -20.694 556 3HG2 VAL 69 3HG2 VAL 69 -9.427 -4.382 -21.551 557 H THR 70 H THR 70 -7.338 -6.832 -25.383 558 HA THR 70 HA THR 70 -9.963 -8.231 -25.306 559 HB THR 70 HB THR 70 -9.159 -9.443 -27.368 560 HG1 THR 70 HG1 THR 70 -7.010 -8.989 -27.457 561 1HG2 THR 70 1HG2 THR 70 -9.783 -7.697 -28.941 562 2HG2 THR 70 2HG2 THR 70 -10.800 -7.562 -27.497 563 3HG2 THR 70 3HG2 THR 70 -9.449 -6.429 -27.744 564 H ASP 71 H ASP 71 -6.663 -8.079 -24.293 565 HA ASP 71 HA ASP 71 -6.957 -10.596 -22.811 566 1HB ASP 71 1HB ASP 71 -5.733 -11.334 -24.785 567 2HB ASP 71 2HB ASP 71 -4.690 -9.913 -24.726 568 H ILE 72 H ILE 72 -6.066 -10.300 -20.766 569 HA ILE 72 HA ILE 72 -4.278 -8.078 -20.199 570 HB ILE 72 HB ILE 72 -6.338 -6.890 -20.092 571 1HG1 ILE 72 1HG1 ILE 72 -5.725 -7.561 -17.187 572 2HG1 ILE 72 2HG1 ILE 72 -4.621 -6.641 -18.199 573 1HG2 ILE 72 1HG2 ILE 72 -8.288 -7.489 -18.729 574 2HG2 ILE 72 2HG2 ILE 72 -7.978 -8.720 -19.943 575 3HG2 ILE 72 3HG2 ILE 72 -7.513 -9.011 -18.253 576 1HD1 ILE 72 1HD1 ILE 72 -5.928 -5.067 -16.920 577 2HD1 ILE 72 2HD1 ILE 72 -6.450 -4.951 -18.606 578 3HD1 ILE 72 3HD1 ILE 72 -7.449 -5.820 -17.421 579 H SER 73 H SER 73 -2.968 -8.584 -18.529 580 HA SER 73 HA SER 73 -3.628 -10.825 -16.701 581 1HB SER 73 1HB SER 73 -1.015 -10.467 -18.247 582 2HB SER 73 2HB SER 73 -1.337 -11.701 -17.017 583 HG SER 73 HG SER 73 -1.591 -12.503 -19.147 584 H VAL 74 H VAL 74 -2.650 -10.554 -14.661 585 HA VAL 74 HA VAL 74 -1.245 -7.996 -14.147 586 HB VAL 74 HB VAL 74 -3.657 -9.024 -12.586 587 1HG1 VAL 74 1HG1 VAL 74 -3.573 -6.772 -11.487 588 2HG1 VAL 74 2HG1 VAL 74 -2.162 -7.760 -11.131 589 3HG1 VAL 74 3HG1 VAL 74 -2.037 -6.449 -12.317 590 1HG2 VAL 74 1HG2 VAL 74 -4.848 -6.993 -13.450 591 2HG2 VAL 74 2HG2 VAL 74 -3.512 -6.736 -14.593 592 3HG2 VAL 74 3HG2 VAL 74 -4.515 -8.197 -14.690 593 H THR 75 H THR 75 0.160 -8.105 -12.472 594 HA THR 75 HA THR 75 0.368 -10.512 -10.768 595 HB THR 75 HB THR 75 2.821 -8.926 -11.495 596 HG1 THR 75 HG1 THR 75 1.612 -9.733 -13.466 597 1HG2 THR 75 1HG2 THR 75 2.410 -11.894 -10.964 598 2HG2 THR 75 2HG2 THR 75 3.972 -11.070 -11.188 599 3HG2 THR 75 3HG2 THR 75 2.968 -10.687 -9.781 600 H GLU 76 H GLU 76 0.921 -9.772 -8.543 601 HA GLU 76 HA GLU 76 0.929 -6.844 -8.160 602 1HB GLU 76 1HB GLU 76 -1.453 -7.870 -8.120 603 2HB GLU 76 2HB GLU 76 -0.957 -8.662 -6.616 604 1HG GLU 76 1HG GLU 76 -0.452 -6.404 -5.654 605 2HG GLU 76 2HG GLU 76 -0.921 -5.670 -7.201 606 H SER 77 H SER 77 2.205 -6.267 -6.426 607 HA SER 77 HA SER 77 3.841 -8.453 -5.230 608 1HB SER 77 1HB SER 77 4.866 -6.127 -6.903 609 2HB SER 77 2HB SER 77 5.807 -7.484 -6.263 610 HG SER 77 HG SER 77 5.306 -7.786 -8.459 611 H ARG 78 H ARG 78 5.589 -7.510 -3.776 612 HA ARG 78 HA ARG 78 4.617 -5.076 -2.316 613 1HB ARG 78 1HB ARG 78 5.646 -7.761 -1.323 614 2HB ARG 78 2HB ARG 78 5.834 -6.328 -0.346 615 1HG ARG 78 1HG ARG 78 3.921 -7.456 0.436 616 2HG ARG 78 2HG ARG 78 3.436 -5.927 -0.278 617 1HD ARG 78 1HD ARG 78 1.858 -7.755 -0.767 618 2HD ARG 78 2HD ARG 78 2.544 -7.056 -2.233 619 HE ARG 78 HE ARG 78 3.949 -9.416 -1.182 620 1HH1 ARG 78 1HH2 ARG 78 1.259 -8.404 -3.248 621 2HH1 ARG 78 2HH2 ARG 78 1.543 -9.615 -4.456 622 1HH2 ARG 78 1HH1 ARG 78 4.145 -11.203 -2.645 623 2HH2 ARG 78 2HH1 ARG 78 3.055 -11.365 -3.967 624 H SER 79 H SER 79 7.101 -6.064 -4.350 625 HA SER 79 HA SER 79 9.406 -5.512 -2.877 626 1HB SER 79 1HB SER 79 9.085 -5.123 -5.871 627 2HB SER 79 2HB SER 79 10.521 -5.648 -4.979 628 HG SER 79 HG SER 79 9.441 -7.408 -5.962 629 H LEU 80 H LEU 80 7.418 -3.362 -4.862 630 HA LEU 80 HA LEU 80 7.333 -1.205 -5.328 631 1HB LEU 80 1HB LEU 80 9.179 -0.498 -3.027 632 2HB LEU 80 2HB LEU 80 8.165 0.563 -3.956 633 HG LEU 80 HG LEU 80 6.842 0.526 -2.213 634 1HD1 LEU 80 1HD1 LEU 80 5.486 -0.708 -3.925 635 2HD1 LEU 80 2HD1 LEU 80 5.896 -2.223 -3.093 636 3HD1 LEU 80 3HD1 LEU 80 4.989 -0.967 -2.254 637 1HD2 LEU 80 1HD2 LEU 80 6.734 -1.226 -0.472 638 2HD2 LEU 80 2HD2 LEU 80 7.894 -2.194 -1.408 639 3HD2 LEU 80 3HD2 LEU 80 8.373 -0.620 -0.756 640 H GLU 81 H GLU 81 8.902 0.757 -5.893 641 HA GLU 81 HA GLU 81 11.373 -0.367 -7.144 642 1HB GLU 81 1HB GLU 81 9.353 1.632 -8.195 643 2HB GLU 81 2HB GLU 81 10.866 1.244 -9.003 644 1HG GLU 81 1HG GLU 81 8.499 -0.622 -8.483 645 2HG GLU 81 2HG GLU 81 8.976 0.074 -10.020 646 H GLY 82 H GLY 82 9.844 2.397 -5.478 647 1HA GLY 82 1HA GLY 82 10.964 3.724 -3.909 648 2HA GLY 82 2HA GLY 82 12.534 3.284 -4.601 649 H HIS 83 H HIS 83 9.524 4.495 -6.213 650 HA HIS 83 HA HIS 83 10.943 6.986 -6.957 651 1HB HIS 83 1HB HIS 83 10.432 6.811 -9.271 652 2HB HIS 83 2HB HIS 83 11.436 5.461 -8.779 653 HD1 HIS 83 HD1 HIS 83 8.489 3.836 -7.806 654 HD2 HIS 83 HD2 HIS 83 9.964 5.319 -11.471 655 HE1 HIS 83 HE1 HIS 83 7.326 2.539 -9.639 656 H HIS 84 H HIS 84 9.596 8.535 -8.053 657 HA HIS 84 HA HIS 84 6.798 8.636 -7.079 658 1HB HIS 84 1HB HIS 84 8.938 10.751 -6.591 659 2HB HIS 84 2HB HIS 84 7.249 10.833 -6.093 660 HD1 HIS 84 HD1 HIS 84 10.546 9.794 -4.750 661 HD2 HIS 84 HD2 HIS 84 6.491 8.775 -4.242 662 HE1 HIS 84 HE1 HIS 84 10.392 8.556 -2.532 663 H ARG 85 H ARG 85 7.766 8.155 -9.749 664 HA ARG 85 HA ARG 85 6.894 10.600 -11.173 665 1HB ARG 85 1HB ARG 85 8.585 10.244 -12.912 666 2HB ARG 85 2HB ARG 85 9.349 10.602 -11.364 667 1HG ARG 85 1HG ARG 85 9.946 8.265 -11.042 668 2HG ARG 85 2HG ARG 85 9.021 7.767 -12.469 669 1HD ARG 85 1HD ARG 85 10.537 8.983 -13.947 670 2HD ARG 85 2HD ARG 85 11.395 9.660 -12.560 671 HE ARG 85 HE ARG 85 12.569 7.741 -12.291 672 1HH1 ARG 85 1HH2 ARG 85 9.891 6.995 -14.540 673 2HH1 ARG 85 2HH2 ARG 85 10.464 5.396 -14.864 674 1HH2 ARG 85 1HH1 ARG 85 13.309 5.632 -12.767 675 2HH2 ARG 85 2HH1 ARG 85 12.446 4.615 -13.854 676 H PHE 86 H PHE 86 6.124 10.015 -13.396 677 HA PHE 86 HA PHE 86 5.223 7.214 -13.632 678 1HB PHE 86 1HB PHE 86 2.956 7.870 -13.988 679 2HB PHE 86 2HB PHE 86 3.482 8.477 -12.449 680 HD1 PHE 86 HD1 PHE 86 2.510 9.360 -15.863 681 HD2 PHE 86 HD2 PHE 86 3.684 10.921 -12.035 682 HE1 PHE 86 HE1 PHE 86 1.734 11.628 -16.560 683 HE2 PHE 86 HE2 PHE 86 2.934 13.187 -12.725 684 HZ PHE 86 HZ PHE 86 1.961 13.546 -14.986 685 H SER 87 H SER 87 5.769 6.516 -15.632 686 HA SER 87 HA SER 87 6.829 8.560 -17.537 687 1HB SER 87 1HB SER 87 8.256 6.144 -16.372 688 2HB SER 87 2HB SER 87 8.958 7.385 -17.419 689 HG SER 87 HG SER 87 8.531 8.909 -15.733 690 H ILE 88 H ILE 88 7.725 7.671 -19.556 691 HA ILE 88 HA ILE 88 6.309 5.260 -20.566 692 HB ILE 88 HB ILE 88 6.570 7.897 -22.082 693 1HG1 ILE 88 1HG1 ILE 88 4.138 6.785 -20.623 694 2HG1 ILE 88 2HG1 ILE 88 4.990 8.283 -20.249 695 1HG2 ILE 88 1HG2 ILE 88 4.897 5.418 -22.621 696 2HG2 ILE 88 2HG2 ILE 88 5.119 6.810 -23.706 697 3HG2 ILE 88 3HG2 ILE 88 6.472 5.730 -23.384 698 1HD1 ILE 88 1HD1 ILE 88 4.302 9.192 -22.481 699 2HD1 ILE 88 2HD1 ILE 88 3.277 7.747 -22.693 700 3HD1 ILE 88 3HD1 ILE 88 2.968 8.859 -21.356 701 H VAL 89 H VAL 89 7.907 3.872 -21.301 702 HA VAL 89 HA VAL 89 10.584 4.989 -21.849 703 HB VAL 89 HB VAL 89 11.388 3.298 -20.358 704 1HG1 VAL 89 1HG1 VAL 89 9.275 4.884 -18.866 705 2HG1 VAL 89 2HG1 VAL 89 10.794 4.242 -18.221 706 3HG1 VAL 89 3HG1 VAL 89 10.832 5.539 -19.425 707 1HG2 VAL 89 1HG2 VAL 89 8.538 2.511 -19.722 708 2HG2 VAL 89 2HG2 VAL 89 9.797 1.508 -20.481 709 3HG2 VAL 89 3HG2 VAL 89 9.972 2.012 -18.806 710 H TYR 90 H TYR 90 12.099 3.235 -22.582 711 HA TYR 90 HA TYR 90 10.846 1.127 -24.262 712 1HB TYR 90 1HB TYR 90 13.035 3.098 -25.042 713 2HB TYR 90 2HB TYR 90 12.687 1.633 -25.938 714 HD1 TYR 90 HD1 TYR 90 11.420 5.015 -25.125 715 HD2 TYR 90 HD2 TYR 90 10.728 1.368 -27.327 716 HE1 TYR 90 HE1 TYR 90 9.752 6.187 -26.536 717 HE2 TYR 90 HE2 TYR 90 9.080 2.532 -28.755 718 HH TYR 90 HH TYR 90 8.066 4.560 -29.266 719 H SER 91 H SER 91 12.328 1.396 -21.510 720 HA SER 91 HA SER 91 14.885 0.359 -21.558 721 1HB SER 91 1HB SER 91 12.739 -0.276 -19.499 722 2HB SER 91 2HB SER 91 14.489 -0.178 -19.248 723 HG SER 91 HG SER 91 13.467 1.754 -18.566 Start of MODEL 17 1 1H MET 1 1H MET 1 2.521 -1.610 1.934 2 2H MET 1 2H MET 1 3.835 -0.689 1.662 3 3H MET 1 3H MET 1 2.509 -0.031 2.380 4 HA MET 1 HA MET 1 1.203 -0.319 0.419 5 1HB MET 1 1HB MET 1 3.002 1.683 0.793 6 2HB MET 1 2HB MET 1 3.629 0.999 -0.707 7 1HG MET 1 1HG MET 1 1.275 1.174 -1.630 8 2HG MET 1 2HG MET 1 0.831 2.047 -0.173 9 1HE MET 1 1HE MET 1 3.179 1.855 -3.211 10 2HE MET 1 2HE MET 1 3.675 3.540 -3.515 11 3HE MET 1 3HE MET 1 4.391 2.631 -2.171 12 H LEU 2 H LEU 2 1.913 -0.438 -2.314 13 HA LEU 2 HA LEU 2 3.139 -3.119 -2.635 14 1HB LEU 2 1HB LEU 2 0.241 -2.312 -3.040 15 2HB LEU 2 2HB LEU 2 0.958 -3.546 -4.039 16 HG LEU 2 HG LEU 2 1.670 -4.604 -1.675 17 1HD1 LEU 2 1HD1 LEU 2 -0.235 -4.501 -0.119 18 2HD1 LEU 2 2HD1 LEU 2 0.491 -2.909 -0.287 19 3HD1 LEU 2 3HD1 LEU 2 -1.021 -3.271 -1.133 20 1HD2 LEU 2 1HD2 LEU 2 -0.270 -6.103 -1.937 21 2HD2 LEU 2 2HD2 LEU 2 -1.025 -4.942 -3.051 22 3HD2 LEU 2 3HD2 LEU 2 0.493 -5.751 -3.495 23 H GLN 3 H GLN 3 2.640 -3.737 -5.061 24 HA GLN 3 HA GLN 3 2.986 -1.574 -6.987 25 1HB GLN 3 1HB GLN 3 5.273 -2.036 -6.597 26 2HB GLN 3 2HB GLN 3 4.962 -3.744 -6.253 27 1HG GLN 3 1HG GLN 3 4.637 -4.230 -8.615 28 2HG GLN 3 2HG GLN 3 4.879 -2.519 -9.020 29 1HE2 GLN 3 2HE2 GLN 3 7.097 -3.394 -6.514 30 2HE2 GLN 3 1HE2 GLN 3 8.461 -3.554 -7.606 31 H TYR 4 H TYR 4 2.450 -2.304 -9.158 32 HA TYR 4 HA TYR 4 1.398 -5.072 -9.357 33 1HB TYR 4 1HB TYR 4 -0.150 -4.477 -11.085 34 2HB TYR 4 2HB TYR 4 -0.518 -3.626 -9.610 35 HD1 TYR 4 HD1 TYR 4 1.704 -2.781 -12.657 36 HD2 TYR 4 HD2 TYR 4 -1.675 -1.698 -10.208 37 HE1 TYR 4 HE1 TYR 4 1.627 -0.599 -13.739 38 HE2 TYR 4 HE2 TYR 4 -1.788 0.472 -11.344 39 HH TYR 4 HH TYR 4 -0.802 1.877 -12.968 40 H ARG 5 H ARG 5 1.713 -6.017 -11.468 41 HA ARG 5 HA ARG 5 3.221 -4.438 -13.430 42 1HB ARG 5 1HB ARG 5 4.897 -6.003 -12.418 43 2HB ARG 5 2HB ARG 5 3.869 -7.369 -12.882 44 1HG ARG 5 1HG ARG 5 4.146 -6.782 -15.277 45 2HG ARG 5 2HG ARG 5 5.042 -5.324 -14.831 46 1HD ARG 5 1HD ARG 5 6.660 -6.981 -15.483 47 2HD ARG 5 2HD ARG 5 6.787 -6.767 -13.746 48 HE ARG 5 HE ARG 5 5.955 -8.888 -13.359 49 1HH1 ARG 5 1HH1 ARG 5 5.872 -8.209 -16.875 50 2HH1 ARG 5 2HH1 ARG 5 5.565 -9.863 -17.289 51 1HH2 ARG 5 1HH2 ARG 5 5.527 -11.058 -13.955 52 2HH2 ARG 5 2HH2 ARG 5 5.389 -11.507 -15.609 53 H ILE 6 H ILE 6 2.168 -4.665 -15.422 54 HA ILE 6 HA ILE 6 -0.166 -6.511 -15.560 55 HB ILE 6 HB ILE 6 -0.068 -3.496 -16.029 56 1HG1 ILE 6 1HG1 ILE 6 -1.809 -5.065 -14.091 57 2HG1 ILE 6 2HG1 ILE 6 -0.332 -4.230 -13.628 58 1HG2 ILE 6 1HG2 ILE 6 -1.430 -4.516 -17.782 59 2HG2 ILE 6 2HG2 ILE 6 -2.371 -5.421 -16.575 60 3HG2 ILE 6 3HG2 ILE 6 -2.469 -3.648 -16.682 61 1HD1 ILE 6 1HD1 ILE 6 -1.316 -2.076 -14.395 62 2HD1 ILE 6 2HD1 ILE 6 -2.866 -2.916 -14.661 63 3HD1 ILE 6 3HD1 ILE 6 -2.171 -2.840 -13.041 64 H ILE 7 H ILE 7 -0.523 -7.242 -17.668 65 HA ILE 7 HA ILE 7 0.862 -5.837 -19.842 66 HB ILE 7 HB ILE 7 0.476 -8.518 -20.745 67 1HG1 ILE 7 1HG1 ILE 7 0.854 -9.216 -18.305 68 2HG1 ILE 7 2HG1 ILE 7 1.818 -9.955 -19.567 69 1HG2 ILE 7 1HG2 ILE 7 1.918 -6.913 -21.769 70 2HG2 ILE 7 2HG2 ILE 7 2.995 -6.887 -20.373 71 3HG2 ILE 7 3HG2 ILE 7 2.835 -8.367 -21.357 72 1HD1 ILE 7 1HD1 ILE 7 3.138 -9.416 -17.550 73 2HD1 ILE 7 2HD1 ILE 7 3.772 -8.627 -19.011 74 3HD1 ILE 7 3HD1 ILE 7 2.847 -7.688 -17.815 75 H VAL 8 H VAL 8 -0.451 -5.558 -21.655 76 HA VAL 8 HA VAL 8 -3.178 -6.716 -21.596 77 HB VAL 8 HB VAL 8 -4.055 -4.467 -22.282 78 1HG1 VAL 8 1HG1 VAL 8 -2.922 -4.588 -19.472 79 2HG1 VAL 8 2HG1 VAL 8 -4.300 -3.619 -20.024 80 3HG1 VAL 8 3HG1 VAL 8 -4.399 -5.380 -20.055 81 1HG2 VAL 8 1HG2 VAL 8 -2.020 -3.288 -22.888 82 2HG2 VAL 8 2HG2 VAL 8 -2.874 -2.427 -21.607 83 3HG2 VAL 8 3HG2 VAL 8 -1.422 -3.367 -21.211 84 H ASP 9 H ASP 9 -4.239 -6.724 -23.598 85 HA ASP 9 HA ASP 9 -2.805 -5.923 -26.029 86 1HB ASP 9 1HB ASP 9 -2.277 -8.379 -25.449 87 2HB ASP 9 2HB ASP 9 -3.980 -8.712 -25.724 88 H GLY 10 H GLY 10 -4.413 -5.783 -27.818 89 1HA GLY 10 1HA GLY 10 -7.022 -6.053 -28.128 90 2HA GLY 10 2HA GLY 10 -7.023 -4.918 -26.761 91 H ARG 11 H ARG 11 -7.860 -3.205 -28.067 92 HA ARG 11 HA ARG 11 -5.845 -1.980 -29.888 93 1HB ARG 11 1HB ARG 11 -8.315 -1.559 -30.398 94 2HB ARG 11 2HB ARG 11 -8.407 -0.667 -28.868 95 1HG ARG 11 1HG ARG 11 -6.448 0.757 -29.711 96 2HG ARG 11 2HG ARG 11 -6.621 -0.072 -31.264 97 1HD ARG 11 1HD ARG 11 -9.049 0.721 -31.279 98 2HD ARG 11 2HD ARG 11 -8.655 1.736 -29.888 99 HE ARG 11 HE ARG 11 -7.930 2.109 -32.676 100 1HH1 ARG 11 2HH2 ARG 11 -7.021 3.058 -29.357 101 2HH1 ARG 11 1HH2 ARG 11 -6.029 4.367 -29.854 102 1HH2 ARG 11 1HH1 ARG 11 -6.749 3.909 -33.339 103 2HH2 ARG 11 2HH1 ARG 11 -6.050 4.992 -32.205 104 H VAL 12 H VAL 12 -4.118 -1.701 -28.548 105 HA VAL 12 HA VAL 12 -4.507 -0.160 -26.037 106 HB VAL 12 HB VAL 12 -2.766 -1.574 -24.982 107 1HG1 VAL 12 1HG1 VAL 12 -4.190 -3.475 -24.468 108 2HG1 VAL 12 2HG1 VAL 12 -5.155 -1.992 -24.560 109 3HG1 VAL 12 3HG1 VAL 12 -5.198 -3.162 -25.888 110 1HG2 VAL 12 1HG2 VAL 12 -1.699 -2.486 -27.064 111 2HG2 VAL 12 2HG2 VAL 12 -2.105 -3.716 -25.866 112 3HG2 VAL 12 3HG2 VAL 12 -3.125 -3.517 -27.306 113 H GLN 13 H GLN 13 -3.630 0.511 -28.909 114 HA GLN 13 HA GLN 13 -1.614 2.392 -28.070 115 1HB GLN 13 1HB GLN 13 -1.031 0.416 -30.325 116 2HB GLN 13 2HB GLN 13 -0.215 1.967 -30.157 117 1HG GLN 13 1HG GLN 13 -0.049 -0.298 -28.143 118 2HG GLN 13 2HG GLN 13 1.151 0.117 -29.344 119 1HE2 GLN 13 2HE2 GLN 13 -0.013 0.875 -26.174 120 2HE2 GLN 13 1HE2 GLN 13 1.230 2.055 -25.798 121 H GLY 14 H GLY 14 -1.387 4.034 -29.889 122 1HA GLY 14 1HA GLY 14 -2.220 5.268 -31.668 123 2HA GLY 14 2HA GLY 14 -3.557 4.133 -31.879 124 H VAL 15 H VAL 15 -3.772 6.984 -31.798 125 HA VAL 15 HA VAL 15 -4.692 8.788 -30.916 126 HB VAL 15 HB VAL 15 -6.192 6.937 -29.034 127 1HG1 VAL 15 1HG1 VAL 15 -6.085 9.175 -28.027 128 2HG1 VAL 15 2HG1 VAL 15 -6.609 9.909 -29.559 129 3HG1 VAL 15 3HG1 VAL 15 -7.703 8.848 -28.642 130 1HG2 VAL 15 1HG2 VAL 15 -8.095 7.381 -30.523 131 2HG2 VAL 15 2HG2 VAL 15 -7.071 8.397 -31.563 132 3HG2 VAL 15 3HG2 VAL 15 -6.771 6.657 -31.435 133 H GLY 16 H GLY 16 -3.787 6.662 -28.131 134 1HA GLY 16 1HA GLY 16 -1.346 7.738 -27.557 135 2HA GLY 16 2HA GLY 16 -2.446 8.870 -26.750 136 H PHE 17 H PHE 17 -2.797 5.263 -27.089 137 HA PHE 17 HA PHE 17 -4.011 5.004 -24.615 138 1HB PHE 17 1HB PHE 17 -3.990 3.279 -26.383 139 2HB PHE 17 2HB PHE 17 -2.308 2.924 -26.000 140 HD1 PHE 17 HD1 PHE 17 -5.782 2.804 -24.688 141 HD2 PHE 17 HD2 PHE 17 -1.719 1.549 -24.052 142 HE1 PHE 17 HE1 PHE 17 -6.576 1.048 -23.119 143 HE2 PHE 17 HE2 PHE 17 -2.498 -0.163 -22.443 144 HZ PHE 17 HZ PHE 17 -4.934 -0.458 -22.018 145 H ARG 18 H ARG 18 -0.461 4.655 -25.265 146 HA ARG 18 HA ARG 18 -0.015 3.849 -22.548 147 1HB ARG 18 1HB ARG 18 2.230 3.730 -22.942 148 2HB ARG 18 2HB ARG 18 1.464 3.218 -24.431 149 1HG ARG 18 1HG ARG 18 2.050 5.432 -25.457 150 2HG ARG 18 2HG ARG 18 2.772 5.919 -23.920 151 1HD ARG 18 1HD ARG 18 4.637 5.166 -25.112 152 2HD ARG 18 2HD ARG 18 4.234 3.755 -24.119 153 HE ARG 18 HE ARG 18 2.896 3.638 -26.680 154 1HH1 ARG 18 1HH2 ARG 18 6.255 3.254 -25.386 155 2HH1 ARG 18 2HH2 ARG 18 6.723 2.363 -26.829 156 1HH2 ARG 18 1HH1 ARG 18 3.663 2.434 -28.424 157 2HH2 ARG 18 2HH1 ARG 18 5.394 2.042 -28.505 158 H TYR 19 H TYR 19 -0.331 7.055 -23.985 159 HA TYR 19 HA TYR 19 0.689 8.413 -21.598 160 1HB TYR 19 1HB TYR 19 0.614 9.525 -23.827 161 2HB TYR 19 2HB TYR 19 -1.145 9.420 -23.812 162 HD1 TYR 19 HD1 TYR 19 1.787 10.879 -21.992 163 HD2 TYR 19 HD2 TYR 19 -2.467 11.073 -22.693 164 HE1 TYR 19 HE1 TYR 19 1.683 13.007 -20.729 165 HE2 TYR 19 HE2 TYR 19 -2.579 13.210 -21.457 166 HH TYR 19 HH TYR 19 -1.389 14.820 -20.259 167 H PHE 20 H PHE 20 -2.508 7.408 -22.925 168 HA PHE 20 HA PHE 20 -4.138 8.494 -20.950 169 1HB PHE 20 1HB PHE 20 -5.441 7.675 -22.618 170 2HB PHE 20 2HB PHE 20 -4.393 6.317 -22.941 171 HD1 PHE 20 HD1 PHE 20 -6.886 7.526 -20.396 172 HD2 PHE 20 HD2 PHE 20 -4.991 4.127 -22.253 173 HE1 PHE 20 HE1 PHE 20 -8.418 6.000 -19.184 174 HE2 PHE 20 HE2 PHE 20 -6.519 2.606 -21.020 175 HZ PHE 20 HZ PHE 20 -8.243 3.542 -19.496 176 H VAL 21 H VAL 21 -2.650 5.148 -20.856 177 HA VAL 21 HA VAL 21 -3.771 4.669 -18.328 178 HB VAL 21 HB VAL 21 -2.203 2.911 -18.062 179 1HG1 VAL 21 1HG1 VAL 21 -3.165 2.988 -20.949 180 2HG1 VAL 21 2HG1 VAL 21 -2.816 1.548 -19.981 181 3HG1 VAL 21 3HG1 VAL 21 -4.168 2.600 -19.539 182 1HG2 VAL 21 1HG2 VAL 21 -0.477 2.327 -19.717 183 2HG2 VAL 21 2HG2 VAL 21 -0.760 3.877 -20.534 184 3HG2 VAL 21 3HG2 VAL 21 -0.096 3.835 -18.885 185 H GLN 22 H GLN 22 -0.765 6.502 -19.137 186 HA GLN 22 HA GLN 22 -0.083 6.672 -16.313 187 1HB GLN 22 1HB GLN 22 0.960 8.306 -18.634 188 2HB GLN 22 2HB GLN 22 1.613 8.253 -17.001 189 1HG GLN 22 1HG GLN 22 1.553 5.918 -18.957 190 2HG GLN 22 2HG GLN 22 2.933 6.920 -18.556 191 1HE2 GLN 22 2HE2 GLN 22 4.370 5.497 -17.553 192 2HE2 GLN 22 1HE2 GLN 22 3.894 4.517 -16.168 193 H MET 23 H MET 23 -2.286 8.472 -18.356 194 HA MET 23 HA MET 23 -2.582 10.701 -16.484 195 1HB MET 23 1HB MET 23 -4.783 9.476 -18.192 196 2HB MET 23 2HB MET 23 -4.800 11.024 -17.373 197 1HG MET 23 1HG MET 23 -2.878 11.743 -18.847 198 2HG MET 23 2HG MET 23 -3.135 10.272 -19.789 199 1HE MET 23 1HE MET 23 -5.471 9.983 -21.500 200 2HE MET 23 2HE MET 23 -6.137 9.761 -19.857 201 3HE MET 23 3HE MET 23 -6.918 10.868 -21.007 202 H GLU 24 H GLU 24 -4.163 7.488 -16.884 203 HA GLU 24 HA GLU 24 -5.766 7.712 -14.534 204 1HB GLU 24 1HB GLU 24 -4.858 5.212 -16.018 205 2HB GLU 24 2HB GLU 24 -6.175 5.313 -14.856 206 1HG GLU 24 1HG GLU 24 -6.060 6.684 -17.589 207 2HG GLU 24 2HG GLU 24 -7.059 5.313 -17.118 208 H ALA 25 H ALA 25 -2.399 6.741 -14.981 209 HA ALA 25 HA ALA 25 -2.002 5.656 -12.352 210 1HB ALA 25 1HB ALA 25 0.379 6.118 -12.761 211 2HB ALA 25 2HB ALA 25 -0.349 5.427 -14.224 212 3HB ALA 25 3HB ALA 25 -0.014 7.170 -14.114 213 H ASP 26 H ASP 26 -1.489 8.963 -13.723 214 HA ASP 26 HA ASP 26 -0.789 10.208 -11.288 215 1HB ASP 26 1HB ASP 26 -0.387 11.235 -13.455 216 2HB ASP 26 2HB ASP 26 -2.118 11.359 -13.769 217 H LYS 27 H LYS 27 -4.043 9.789 -12.788 218 HA LYS 27 HA LYS 27 -5.370 11.293 -10.795 219 1HB LYS 27 1HB LYS 27 -7.334 10.816 -11.855 220 2HB LYS 27 2HB LYS 27 -6.165 10.603 -13.137 221 1HG LYS 27 1HG LYS 27 -7.417 8.777 -13.555 222 2HG LYS 27 2HG LYS 27 -6.321 8.039 -12.378 223 1HD LYS 27 1HD LYS 27 -8.017 8.506 -10.613 224 2HD LYS 27 2HD LYS 27 -9.110 9.117 -11.846 225 1HE LYS 27 1HE LYS 27 -7.942 6.308 -11.992 226 2HE LYS 27 2HE LYS 27 -9.320 6.662 -10.943 227 1HZ LYS 27 1HZ LYS 27 -9.256 6.972 -13.886 228 2HZ LYS 27 2HZ LYS 27 -10.134 5.905 -13.025 229 3HZ LYS 27 3HZ LYS 27 -10.501 7.491 -12.937 230 H ARG 28 H ARG 28 -3.963 8.189 -10.489 231 HA ARG 28 HA ARG 28 -5.307 7.811 -7.836 232 1HB ARG 28 1HB ARG 28 -4.081 5.762 -9.733 233 2HB ARG 28 2HB ARG 28 -4.638 5.398 -8.107 234 1HG ARG 28 1HG ARG 28 -6.419 6.289 -10.393 235 2HG ARG 28 2HG ARG 28 -6.176 4.642 -9.834 236 1HD ARG 28 1HD ARG 28 -8.235 5.315 -8.907 237 2HD ARG 28 2HD ARG 28 -7.075 5.311 -7.569 238 HE ARG 28 HE ARG 28 -7.124 7.921 -8.653 239 1HH1 ARG 28 1HH2 ARG 28 -9.379 5.828 -6.866 240 2HH1 ARG 28 2HH2 ARG 28 -10.211 7.153 -6.145 241 1HH2 ARG 28 1HH1 ARG 28 -8.171 9.617 -7.732 242 2HH2 ARG 28 2HH1 ARG 28 -9.508 9.389 -6.656 243 H LYS 29 H LYS 29 -2.804 9.386 -8.865 244 HA LYS 29 HA LYS 29 -0.700 9.805 -8.266 245 1HB LYS 29 1HB LYS 29 -1.754 9.048 -5.513 246 2HB LYS 29 2HB LYS 29 -0.301 9.999 -5.842 247 1HG LYS 29 1HG LYS 29 -1.681 11.739 -6.968 248 2HG LYS 29 2HG LYS 29 -3.139 10.803 -6.623 249 1HD LYS 29 1HD LYS 29 -2.976 12.558 -5.006 250 2HD LYS 29 2HD LYS 29 -2.704 11.015 -4.185 251 1HE LYS 29 1HE LYS 29 -0.251 11.423 -4.232 252 2HE LYS 29 2HE LYS 29 -0.514 12.938 -5.107 253 1HZ LYS 29 1HZ LYS 29 -1.709 13.770 -3.166 254 2HZ LYS 29 2HZ LYS 29 -1.472 12.367 -2.359 255 3HZ LYS 29 3HZ LYS 29 -0.205 13.315 -2.745 256 H LEU 30 H LEU 30 -0.971 7.202 -9.324 257 HA LEU 30 HA LEU 30 0.875 5.420 -7.870 258 1HB LEU 30 1HB LEU 30 -0.225 5.368 -10.712 259 2HB LEU 30 2HB LEU 30 0.787 4.118 -9.995 260 HG LEU 30 HG LEU 30 -2.046 4.867 -9.172 261 1HD1 LEU 30 1HD1 LEU 30 -1.837 3.562 -11.248 262 2HD1 LEU 30 2HD1 LEU 30 -0.837 2.364 -10.405 263 3HD1 LEU 30 3HD1 LEU 30 -2.546 2.580 -9.953 264 1HD2 LEU 30 1HD2 LEU 30 -0.145 2.823 -7.975 265 2HD2 LEU 30 2HD2 LEU 30 -0.900 4.210 -7.142 266 3HD2 LEU 30 3HD2 LEU 30 -1.894 2.848 -7.674 267 H ALA 31 H ALA 31 2.959 4.816 -8.903 268 HA ALA 31 HA ALA 31 4.164 6.822 -10.719 269 1HB ALA 31 1HB ALA 31 5.287 6.021 -7.989 270 2HB ALA 31 2HB ALA 31 6.130 6.981 -9.220 271 3HB ALA 31 3HB ALA 31 4.680 7.635 -8.438 272 H GLY 32 H GLY 32 5.664 5.782 -12.132 273 1HA GLY 32 1HA GLY 32 6.603 3.113 -11.992 274 2HA GLY 32 2HA GLY 32 4.897 3.084 -12.461 275 H TRP 33 H TRP 33 5.872 2.083 -14.465 276 HA TRP 33 HA TRP 33 6.241 4.236 -16.415 277 1HB TRP 33 1HB TRP 33 7.984 2.979 -17.634 278 2HB TRP 33 2HB TRP 33 8.467 3.624 -16.089 279 HD1 TRP 33 HD1 TRP 33 9.982 2.192 -14.834 280 HE1 TRP 33 HE1 TRP 33 10.582 -0.259 -14.674 281 HE3 TRP 33 HE3 TRP 33 6.371 0.206 -17.937 282 HZ2 TRP 33 HZ2 TRP 33 9.658 -2.780 -15.737 283 HZ3 TRP 33 HZ3 TRP 33 6.187 -2.208 -18.220 284 HH2 TRP 33 HH2 TRP 33 7.828 -3.743 -17.131 285 H VAL 34 H VAL 34 6.019 3.487 -18.654 286 HA VAL 34 HA VAL 34 4.439 0.986 -19.041 287 HB VAL 34 HB VAL 34 2.817 2.806 -18.918 288 1HG1 VAL 34 1HG1 VAL 34 2.713 4.533 -20.646 289 2HG1 VAL 34 2HG1 VAL 34 4.196 4.685 -19.710 290 3HG1 VAL 34 3HG1 VAL 34 4.248 3.975 -21.337 291 1HG2 VAL 34 1HG2 VAL 34 1.601 2.301 -20.938 292 2HG2 VAL 34 2HG2 VAL 34 3.069 1.762 -21.769 293 3HG2 VAL 34 3HG2 VAL 34 2.435 0.834 -20.404 294 H LYS 35 H LYS 35 4.736 -0.037 -21.034 295 HA LYS 35 HA LYS 35 6.764 1.031 -22.939 296 1HB LYS 35 1HB LYS 35 6.668 -1.813 -21.845 297 2HB LYS 35 2HB LYS 35 7.831 -1.193 -23.012 298 1HG LYS 35 1HG LYS 35 8.815 0.250 -21.251 299 2HG LYS 35 2HG LYS 35 7.677 -0.406 -20.078 300 1HD LYS 35 1HD LYS 35 9.868 -1.917 -21.561 301 2HD LYS 35 2HD LYS 35 9.803 -1.529 -19.831 302 1HE LYS 35 1HE LYS 35 7.681 -2.912 -19.683 303 2HE LYS 35 2HE LYS 35 7.918 -3.398 -21.354 304 1HZ LYS 35 1HZ LYS 35 9.964 -4.487 -20.707 305 2HZ LYS 35 2HZ LYS 35 9.808 -3.978 -19.151 306 3HZ LYS 35 3HZ LYS 35 8.699 -5.009 -19.789 307 H ASN 36 H ASN 36 6.383 0.186 -25.071 308 HA ASN 36 HA ASN 36 4.204 -1.825 -25.451 309 1HB ASN 36 1HB ASN 36 4.240 -0.257 -27.260 310 2HB ASN 36 2HB ASN 36 6.011 -0.278 -27.338 311 1HD2 ASN 36 2HD2 ASN 36 3.266 -2.718 -27.565 312 2HD2 ASN 36 1HD2 ASN 36 4.078 -3.636 -28.785 313 H ARG 37 H ARG 37 4.801 -3.999 -25.507 314 HA ARG 37 HA ARG 37 7.661 -4.729 -25.158 315 1HB ARG 37 1HB ARG 37 5.050 -6.336 -25.213 316 2HB ARG 37 2HB ARG 37 6.647 -7.082 -25.285 317 1HG ARG 37 1HG ARG 37 7.276 -6.052 -23.146 318 2HG ARG 37 2HG ARG 37 5.672 -5.315 -23.001 319 1HD ARG 37 1HD ARG 37 4.613 -7.410 -22.610 320 2HD ARG 37 2HD ARG 37 5.934 -8.310 -23.376 321 HE ARG 37 HE ARG 37 6.497 -6.809 -20.875 322 1HH1 ARG 37 1HH2 ARG 37 6.252 -9.994 -22.456 323 2HH1 ARG 37 2HH2 ARG 37 6.938 -10.838 -21.119 324 1HH2 ARG 37 1HH1 ARG 37 7.141 -7.918 -19.077 325 2HH2 ARG 37 2HH1 ARG 37 7.609 -9.598 -19.185 326 H ASP 38 H ASP 38 8.854 -5.442 -26.919 327 HA ASP 38 HA ASP 38 8.070 -4.843 -29.560 328 1HB ASP 38 1HB ASP 38 10.401 -5.054 -28.851 329 2HB ASP 38 2HB ASP 38 10.176 -6.775 -28.521 330 H ASP 39 H ASP 39 7.503 -7.697 -27.640 331 HA ASP 39 HA ASP 39 6.749 -9.618 -29.571 332 1HB ASP 39 1HB ASP 39 6.922 -10.537 -27.488 333 2HB ASP 39 2HB ASP 39 6.368 -9.085 -26.663 334 H GLY 40 H GLY 40 5.010 -6.730 -28.448 335 1HA GLY 40 1HA GLY 40 3.392 -5.925 -30.153 336 2HA GLY 40 2HA GLY 40 2.613 -7.510 -30.059 337 H ARG 41 H ARG 41 3.012 -7.720 -27.107 338 HA ARG 41 HA ARG 41 0.597 -6.427 -26.180 339 1HB ARG 41 1HB ARG 41 2.823 -8.115 -25.035 340 2HB ARG 41 2HB ARG 41 1.925 -7.151 -23.909 341 1HG ARG 41 1HG ARG 41 1.112 -9.510 -24.175 342 2HG ARG 41 2HG ARG 41 -0.084 -8.241 -24.248 343 1HD ARG 41 1HD ARG 41 -0.630 -9.911 -25.877 344 2HD ARG 41 2HD ARG 41 -0.179 -8.427 -26.727 345 HE ARG 41 HE ARG 41 2.166 -9.898 -26.620 346 1HH1 ARG 41 1HH2 ARG 41 -1.080 -10.270 -28.103 347 2HH1 ARG 41 2HH2 ARG 41 -0.533 -11.446 -29.247 348 1HH2 ARG 41 1HH1 ARG 41 2.849 -11.425 -28.127 349 2HH2 ARG 41 2HH1 ARG 41 1.749 -12.076 -29.307 350 H VAL 42 H VAL 42 0.627 -5.088 -24.107 351 HA VAL 42 HA VAL 42 2.813 -3.045 -24.109 352 HB VAL 42 HB VAL 42 -0.203 -2.735 -23.935 353 1HG1 VAL 42 1HG1 VAL 42 1.860 -0.648 -23.114 354 2HG1 VAL 42 2HG1 VAL 42 0.119 -0.362 -23.328 355 3HG1 VAL 42 3HG1 VAL 42 0.686 -1.442 -22.047 356 1HG2 VAL 42 1HG2 VAL 42 0.863 -2.622 -26.183 357 2HG2 VAL 42 2HG2 VAL 42 0.123 -1.105 -25.692 358 3HG2 VAL 42 3HG2 VAL 42 1.888 -1.284 -25.607 359 H GLU 43 H GLU 43 3.533 -2.508 -22.018 360 HA GLU 43 HA GLU 43 2.490 -4.236 -19.836 361 1HB GLU 43 1HB GLU 43 4.558 -5.185 -20.902 362 2HB GLU 43 2HB GLU 43 5.416 -3.697 -20.465 363 1HG GLU 43 1HG GLU 43 5.005 -4.161 -18.064 364 2HG GLU 43 2HG GLU 43 4.022 -5.560 -18.500 365 H ILE 44 H ILE 44 2.526 -3.287 -17.802 366 HA ILE 44 HA ILE 44 3.439 -0.479 -17.554 367 HB ILE 44 HB ILE 44 0.843 -1.437 -16.362 368 1HG1 ILE 44 1HG1 ILE 44 0.927 -0.282 -19.172 369 2HG1 ILE 44 2HG1 ILE 44 0.482 -1.937 -18.751 370 1HG2 ILE 44 1HG2 ILE 44 0.348 0.910 -16.212 371 2HG2 ILE 44 2HG2 ILE 44 2.016 0.742 -15.716 372 3HG2 ILE 44 3HG2 ILE 44 1.652 1.334 -17.344 373 1HD1 ILE 44 1HD1 ILE 44 -1.075 0.549 -17.994 374 2HD1 ILE 44 2HD1 ILE 44 -1.520 -0.704 -19.158 375 3HD1 ILE 44 3HD1 ILE 44 -1.439 -1.104 -17.432 376 H LEU 45 H LEU 45 4.226 -0.068 -15.415 377 HA LEU 45 HA LEU 45 3.893 -2.160 -13.332 378 1HB LEU 45 1HB LEU 45 5.789 -2.907 -14.660 379 2HB LEU 45 2HB LEU 45 6.558 -1.331 -14.557 380 HG LEU 45 HG LEU 45 5.933 -2.821 -11.999 381 1HD1 LEU 45 1HD1 LEU 45 8.077 -4.015 -12.147 382 2HD1 LEU 45 2HD1 LEU 45 7.006 -4.489 -13.466 383 3HD1 LEU 45 3HD1 LEU 45 8.347 -3.369 -13.777 384 1HD2 LEU 45 1HD2 LEU 45 8.166 -0.928 -12.890 385 2HD2 LEU 45 2HD2 LEU 45 6.899 -0.590 -11.695 386 3HD2 LEU 45 3HD2 LEU 45 8.145 -1.784 -11.341 387 H ALA 46 H ALA 46 3.625 -1.084 -11.348 388 HA ALA 46 HA ALA 46 4.850 1.535 -10.921 389 1HB ALA 46 1HB ALA 46 2.746 2.052 -12.260 390 2HB ALA 46 2HB ALA 46 1.808 1.242 -10.980 391 3HB ALA 46 3HB ALA 46 2.707 2.713 -10.614 392 H GLU 47 H GLU 47 4.500 2.325 -8.755 393 HA GLU 47 HA GLU 47 3.701 0.261 -6.776 394 1HB GLU 47 1HB GLU 47 4.967 1.472 -5.119 395 2HB GLU 47 2HB GLU 47 5.985 1.014 -6.474 396 1HG GLU 47 1HG GLU 47 5.885 3.324 -7.366 397 2HG GLU 47 2HG GLU 47 4.803 3.799 -6.052 398 H GLY 48 H GLY 48 2.230 0.835 -5.122 399 1HA GLY 48 1HA GLY 48 1.140 3.311 -4.525 400 2HA GLY 48 2HA GLY 48 0.106 2.638 -5.788 401 HA PRO 49 HA PRO 49 -1.103 0.597 -1.743 402 1HB PRO 49 1HB PRO 49 -3.476 1.848 -1.197 403 2HB PRO 49 2HB PRO 49 -1.895 2.469 -0.634 404 1HG PRO 49 1HG PRO 49 -3.497 3.346 -3.036 405 2HG PRO 49 2HG PRO 49 -2.678 4.371 -1.821 406 1HD PRO 49 1HD PRO 49 -1.553 3.764 -4.269 407 2HD PRO 49 2HD PRO 49 -0.574 4.021 -2.796 408 H GLU 50 H GLU 50 -2.816 -1.006 -1.640 409 HA GLU 50 HA GLU 50 -3.217 -2.276 -4.065 410 1HB GLU 50 1HB GLU 50 -3.284 -3.292 -1.783 411 2HB GLU 50 2HB GLU 50 -4.894 -2.603 -1.545 412 1HG GLU 50 1HG GLU 50 -5.711 -3.927 -3.514 413 2HG GLU 50 2HG GLU 50 -4.092 -4.605 -3.706 414 H ASN 51 H ASN 51 -5.566 -0.163 -2.342 415 HA ASN 51 HA ASN 51 -7.742 -0.614 -4.132 416 1HB ASN 51 1HB ASN 51 -8.101 0.441 -1.960 417 2HB ASN 51 2HB ASN 51 -7.060 1.802 -2.399 418 1HD2 ASN 51 2HD2 ASN 51 -10.142 0.146 -3.339 419 2HD2 ASN 51 1HD2 ASN 51 -10.867 1.570 -4.031 420 H ALA 52 H ALA 52 -5.036 1.730 -4.281 421 HA ALA 52 HA ALA 52 -6.085 3.216 -6.536 422 1HB ALA 52 1HB ALA 52 -3.260 2.900 -5.418 423 2HB ALA 52 2HB ALA 52 -3.726 4.062 -6.656 424 3HB ALA 52 3HB ALA 52 -4.416 4.203 -5.031 425 H LEU 53 H LEU 53 -3.747 0.535 -6.114 426 HA LEU 53 HA LEU 53 -3.024 0.231 -8.840 427 1HB LEU 53 1HB LEU 53 -3.146 -1.771 -6.554 428 2HB LEU 53 2HB LEU 53 -2.391 -2.121 -8.097 429 HG LEU 53 HG LEU 53 -1.488 0.104 -6.218 430 1HD1 LEU 53 1HD1 LEU 53 0.386 -1.432 -5.684 431 2HD1 LEU 53 2HD1 LEU 53 -1.172 -2.074 -5.167 432 3HD1 LEU 53 3HD1 LEU 53 -0.401 -2.714 -6.633 433 1HD2 LEU 53 1HD2 LEU 53 -0.812 0.451 -8.609 434 2HD2 LEU 53 2HD2 LEU 53 0.538 0.225 -7.496 435 3HD2 LEU 53 3HD2 LEU 53 0.041 -1.110 -8.535 436 H GLN 54 H GLN 54 -5.624 -1.372 -6.959 437 HA GLN 54 HA GLN 54 -6.550 -2.871 -9.202 438 1HB GLN 54 1HB GLN 54 -7.775 -2.158 -6.507 439 2HB GLN 54 2HB GLN 54 -8.650 -3.126 -7.694 440 1HG GLN 54 1HG GLN 54 -5.900 -3.859 -6.583 441 2HG GLN 54 2HG GLN 54 -7.427 -4.504 -5.991 442 1HE2 GLN 54 2HE2 GLN 54 -4.864 -5.378 -7.900 443 2HE2 GLN 54 1HE2 GLN 54 -5.702 -6.407 -9.049 444 H SER 55 H SER 55 -7.626 0.276 -7.877 445 HA SER 55 HA SER 55 -9.837 0.619 -9.648 446 1HB SER 55 1HB SER 55 -7.981 2.751 -8.503 447 2HB SER 55 2HB SER 55 -9.596 3.018 -9.187 448 HG SER 55 HG SER 55 -8.861 1.614 -6.836 449 H PHE 56 H PHE 56 -6.347 1.365 -10.030 450 HA PHE 56 HA PHE 56 -6.479 2.452 -12.638 451 1HB PHE 56 1HB PHE 56 -4.543 2.653 -11.215 452 2HB PHE 56 2HB PHE 56 -4.304 0.917 -11.172 453 HD1 PHE 56 HD1 PHE 56 -3.681 -0.341 -13.311 454 HD2 PHE 56 HD2 PHE 56 -3.607 3.958 -12.948 455 HE1 PHE 56 HE1 PHE 56 -2.268 -0.186 -15.344 456 HE2 PHE 56 HE2 PHE 56 -2.091 4.073 -14.890 457 HZ PHE 56 HZ PHE 56 -1.498 2.038 -16.152 458 H VAL 57 H VAL 57 -5.976 -1.026 -11.593 459 HA VAL 57 HA VAL 57 -5.813 -2.082 -14.188 460 HB VAL 57 HB VAL 57 -6.910 -3.253 -11.599 461 1HG1 VAL 57 1HG1 VAL 57 -6.699 -5.503 -12.605 462 2HG1 VAL 57 2HG1 VAL 57 -7.973 -4.558 -13.372 463 3HG1 VAL 57 3HG1 VAL 57 -6.411 -4.760 -14.196 464 1HG2 VAL 57 1HG2 VAL 57 -4.819 -4.383 -11.417 465 2HG2 VAL 57 2HG2 VAL 57 -4.356 -3.963 -13.077 466 3HG2 VAL 57 3HG2 VAL 57 -4.411 -2.715 -11.824 467 H GLU 58 H GLU 58 -8.811 -1.387 -12.268 468 HA GLU 58 HA GLU 58 -10.596 -2.317 -14.264 469 1HB GLU 58 1HB GLU 58 -10.986 -0.175 -12.133 470 2HB GLU 58 2HB GLU 58 -12.274 -0.832 -13.149 471 1HG GLU 58 1HG GLU 58 -11.750 -3.122 -12.289 472 2HG GLU 58 2HG GLU 58 -10.567 -2.414 -11.191 473 H ALA 59 H ALA 59 -9.104 0.881 -13.796 474 HA ALA 59 HA ALA 59 -10.527 2.258 -15.853 475 1HB ALA 59 1HB ALA 59 -8.769 3.917 -15.720 476 2HB ALA 59 2HB ALA 59 -9.150 3.357 -14.077 477 3HB ALA 59 3HB ALA 59 -7.680 2.791 -14.895 478 H VAL 60 H VAL 60 -7.421 0.396 -16.007 479 HA VAL 60 HA VAL 60 -7.034 0.899 -18.817 480 HB VAL 60 HB VAL 60 -6.076 -1.596 -17.330 481 1HG1 VAL 60 1HG1 VAL 60 -5.822 -1.620 -19.807 482 2HG1 VAL 60 2HG1 VAL 60 -4.963 -0.065 -19.724 483 3HG1 VAL 60 3HG1 VAL 60 -4.255 -1.519 -18.995 484 1HG2 VAL 60 1HG2 VAL 60 -5.204 0.192 -16.000 485 2HG2 VAL 60 2HG2 VAL 60 -3.911 -0.300 -17.063 486 3HG2 VAL 60 3HG2 VAL 60 -4.819 1.183 -17.426 487 H LYS 61 H LYS 61 -8.492 -1.903 -17.048 488 HA LYS 61 HA LYS 61 -9.088 -3.445 -19.302 489 1HB LYS 61 1HB LYS 61 -9.112 -4.222 -16.948 490 2HB LYS 61 2HB LYS 61 -10.575 -3.276 -16.642 491 1HG LYS 61 1HG LYS 61 -11.832 -4.657 -18.256 492 2HG LYS 61 2HG LYS 61 -10.357 -5.566 -18.648 493 1HD LYS 61 1HD LYS 61 -10.239 -6.419 -16.334 494 2HD LYS 61 2HD LYS 61 -11.594 -5.390 -15.865 495 1HE LYS 61 1HE LYS 61 -12.446 -7.603 -16.118 496 2HE LYS 61 2HE LYS 61 -13.089 -6.615 -17.429 497 1HZ LYS 61 1HZ LYS 61 -11.446 -7.633 -18.907 498 2HZ LYS 61 2HZ LYS 61 -10.830 -8.526 -17.672 499 3HZ LYS 61 3HZ LYS 61 -12.348 -8.782 -18.194 500 H ASN 62 H ASN 62 -11.106 -0.930 -17.722 501 HA ASN 62 HA ASN 62 -13.369 -1.343 -19.424 502 1HB ASN 62 1HB ASN 62 -13.423 -0.244 -17.174 503 2HB ASN 62 2HB ASN 62 -12.569 1.142 -17.857 504 1HD2 ASN 62 2HD2 ASN 62 -13.938 2.805 -18.446 505 2HD2 ASN 62 1HD2 ASN 62 -15.614 2.602 -18.935 506 H GLY 63 H GLY 63 -10.325 0.347 -20.000 507 1HA GLY 63 1HA GLY 63 -9.624 1.804 -21.599 508 2HA GLY 63 2HA GLY 63 -10.749 0.950 -22.669 509 H SER 64 H SER 64 -11.298 3.107 -19.819 510 HA SER 64 HA SER 64 -13.769 3.798 -20.533 511 1HB SER 64 1HB SER 64 -11.994 5.681 -18.954 512 2HB SER 64 2HB SER 64 -13.730 5.404 -18.784 513 HG SER 64 HG SER 64 -12.318 4.299 -17.246 514 HA PRO 65 HA PRO 65 -12.957 7.870 -22.695 515 1HB PRO 65 1HB PRO 65 -10.519 8.822 -23.414 516 2HB PRO 65 2HB PRO 65 -11.154 8.958 -21.750 517 1HG PRO 65 1HG PRO 65 -9.208 6.893 -22.824 518 2HG PRO 65 2HG PRO 65 -9.109 7.858 -21.318 519 1HD PRO 65 1HD PRO 65 -10.086 5.272 -21.398 520 2HD PRO 65 2HD PRO 65 -10.648 6.488 -20.224 521 H PHE 66 H PHE 66 -10.554 5.447 -23.860 522 HA PHE 66 HA PHE 66 -11.840 5.017 -26.366 523 1HB PHE 66 1HB PHE 66 -10.053 5.785 -27.839 524 2HB PHE 66 2HB PHE 66 -10.703 7.146 -26.964 525 HD1 PHE 66 HD1 PHE 66 -7.763 4.930 -27.384 526 HD2 PHE 66 HD2 PHE 66 -9.328 8.396 -25.356 527 HE1 PHE 66 HE1 PHE 66 -5.489 5.508 -26.629 528 HE2 PHE 66 HE2 PHE 66 -7.039 8.981 -24.598 529 HZ PHE 66 HZ PHE 66 -5.114 7.543 -25.222 530 H SER 67 H SER 67 -10.319 3.472 -27.662 531 HA SER 67 HA SER 67 -9.249 1.502 -27.809 532 1HB SER 67 1HB SER 67 -7.625 2.870 -25.687 533 2HB SER 67 2HB SER 67 -7.337 1.176 -25.978 534 HG SER 67 HG SER 67 -6.054 2.412 -27.341 535 H LYS 68 H LYS 68 -8.673 -0.650 -26.516 536 HA LYS 68 HA LYS 68 -10.196 -1.120 -24.172 537 1HB LYS 68 1HB LYS 68 -11.961 -2.480 -24.811 538 2HB LYS 68 2HB LYS 68 -12.141 -1.043 -25.785 539 1HG LYS 68 1HG LYS 68 -11.097 -3.746 -26.714 540 2HG LYS 68 2HG LYS 68 -12.704 -3.082 -26.980 541 1HD LYS 68 1HD LYS 68 -11.668 -1.210 -28.330 542 2HD LYS 68 2HD LYS 68 -10.103 -2.004 -28.124 543 1HE LYS 68 1HE LYS 68 -10.906 -2.632 -30.275 544 2HE LYS 68 2HE LYS 68 -10.984 -4.053 -29.231 545 1HZ LYS 68 1HZ LYS 68 -13.378 -3.656 -28.998 546 2HZ LYS 68 2HZ LYS 68 -13.290 -2.326 -29.948 547 3HZ LYS 68 3HZ LYS 68 -12.982 -3.796 -30.570 548 H VAL 69 H VAL 69 -9.561 -3.065 -23.217 549 HA VAL 69 HA VAL 69 -7.409 -4.502 -24.605 550 HB VAL 69 HB VAL 69 -7.082 -5.697 -22.577 551 1HG1 VAL 69 1HG1 VAL 69 -7.644 -2.792 -21.818 552 2HG1 VAL 69 2HG1 VAL 69 -6.516 -3.914 -21.038 553 3HG1 VAL 69 3HG1 VAL 69 -6.209 -3.367 -22.695 554 1HG2 VAL 69 1HG2 VAL 69 -8.435 -5.370 -20.534 555 2HG2 VAL 69 2HG2 VAL 69 -9.622 -4.435 -21.476 556 3HG2 VAL 69 3HG2 VAL 69 -9.350 -6.157 -21.817 557 H THR 70 H THR 70 -7.578 -6.732 -25.152 558 HA THR 70 HA THR 70 -10.262 -8.007 -24.968 559 HB THR 70 HB THR 70 -9.574 -9.335 -26.975 560 HG1 THR 70 HG1 THR 70 -7.407 -9.087 -27.108 561 1HG2 THR 70 1HG2 THR 70 -9.636 -6.320 -27.473 562 2HG2 THR 70 2HG2 THR 70 -10.045 -7.604 -28.631 563 3HG2 THR 70 3HG2 THR 70 -11.060 -7.348 -27.201 564 H ASP 71 H ASP 71 -6.944 -7.959 -23.984 565 HA ASP 71 HA ASP 71 -7.460 -10.275 -22.284 566 1HB ASP 71 1HB ASP 71 -6.310 -11.331 -24.190 567 2HB ASP 71 2HB ASP 71 -5.056 -10.088 -24.153 568 H ILE 72 H ILE 72 -6.359 -10.028 -20.319 569 HA ILE 72 HA ILE 72 -4.350 -7.961 -19.980 570 HB ILE 72 HB ILE 72 -6.289 -6.598 -19.696 571 1HG1 ILE 72 1HG1 ILE 72 -5.385 -7.293 -16.872 572 2HG1 ILE 72 2HG1 ILE 72 -4.357 -6.453 -18.026 573 1HG2 ILE 72 1HG2 ILE 72 -7.418 -8.578 -17.680 574 2HG2 ILE 72 2HG2 ILE 72 -8.114 -7.005 -18.116 575 3HG2 ILE 72 3HG2 ILE 72 -8.042 -8.285 -19.320 576 1HD1 ILE 72 1HD1 ILE 72 -6.105 -4.632 -18.200 577 2HD1 ILE 72 2HD1 ILE 72 -6.993 -5.441 -16.887 578 3HD1 ILE 72 3HD1 ILE 72 -5.368 -4.805 -16.599 579 H SER 73 H SER 73 -2.982 -8.504 -18.315 580 HA SER 73 HA SER 73 -3.674 -10.743 -16.493 581 1HB SER 73 1HB SER 73 -1.107 -10.503 -18.131 582 2HB SER 73 2HB SER 73 -1.441 -11.723 -16.891 583 HG SER 73 HG SER 73 -1.820 -12.502 -19.014 584 H VAL 74 H VAL 74 -2.679 -10.482 -14.459 585 HA VAL 74 HA VAL 74 -1.145 -7.988 -13.994 586 HB VAL 74 HB VAL 74 -3.663 -8.816 -12.482 587 1HG1 VAL 74 1HG1 VAL 74 -2.142 -7.593 -11.035 588 2HG1 VAL 74 2HG1 VAL 74 -1.908 -6.331 -12.256 589 3HG1 VAL 74 3HG1 VAL 74 -3.484 -6.538 -11.464 590 1HG2 VAL 74 1HG2 VAL 74 -4.421 -8.033 -14.628 591 2HG2 VAL 74 2HG2 VAL 74 -4.703 -6.751 -13.456 592 3HG2 VAL 74 3HG2 VAL 74 -3.331 -6.633 -14.577 593 H THR 75 H THR 75 0.257 -8.142 -12.302 594 HA THR 75 HA THR 75 0.143 -10.418 -10.414 595 HB THR 75 HB THR 75 2.703 -9.274 -11.630 596 HG1 THR 75 HG1 THR 75 1.565 -10.474 -13.170 597 1HG2 THR 75 1HG2 THR 75 2.213 -11.721 -9.870 598 2HG2 THR 75 2HG2 THR 75 3.764 -11.302 -10.636 599 3HG2 THR 75 3HG2 THR 75 3.076 -10.234 -9.410 600 H GLU 76 H GLU 76 0.919 -9.650 -8.253 601 HA GLU 76 HA GLU 76 1.372 -6.740 -8.041 602 1HB GLU 76 1HB GLU 76 -0.724 -8.294 -6.477 603 2HB GLU 76 2HB GLU 76 -0.161 -6.668 -6.067 604 1HG GLU 76 1HG GLU 76 -0.937 -5.836 -8.275 605 2HG GLU 76 2HG GLU 76 -1.578 -7.440 -8.651 606 H SER 77 H SER 77 2.575 -6.157 -6.257 607 HA SER 77 HA SER 77 4.017 -8.319 -4.800 608 1HB SER 77 1HB SER 77 5.286 -6.028 -6.358 609 2HB SER 77 2HB SER 77 6.130 -7.305 -5.469 610 HG SER 77 HG SER 77 6.050 -7.739 -7.708 611 H ARG 78 H ARG 78 5.180 -7.436 -2.891 612 HA ARG 78 HA ARG 78 3.833 -5.019 -1.789 613 1HB ARG 78 1HB ARG 78 5.380 -7.322 -0.582 614 2HB ARG 78 2HB ARG 78 5.200 -5.809 0.291 615 1HG ARG 78 1HG ARG 78 3.488 -7.416 0.971 616 2HG ARG 78 2HG ARG 78 2.803 -5.941 0.301 617 1HD ARG 78 1HD ARG 78 1.535 -7.905 -0.397 618 2HD ARG 78 2HD ARG 78 2.243 -7.063 -1.777 619 HE ARG 78 HE ARG 78 3.788 -9.323 -0.679 620 1HH1 ARG 78 1HH2 ARG 78 1.301 -8.429 -3.049 621 2HH1 ARG 78 2HH2 ARG 78 1.833 -9.557 -4.252 622 1HH2 ARG 78 1HH1 ARG 78 4.335 -10.993 -2.181 623 2HH2 ARG 78 2HH1 ARG 78 3.454 -11.167 -3.649 624 H SER 79 H SER 79 6.914 -5.958 -3.193 625 HA SER 79 HA SER 79 8.541 -3.960 -2.068 626 1HB SER 79 1HB SER 79 8.679 -5.076 -4.896 627 2HB SER 79 2HB SER 79 10.013 -4.445 -3.913 628 HG SER 79 HG SER 79 9.948 -6.734 -3.902 629 H LEU 80 H LEU 80 8.386 -1.787 -2.260 630 HA LEU 80 HA LEU 80 7.118 -0.329 -4.436 631 1HB LEU 80 1HB LEU 80 9.073 0.371 -2.206 632 2HB LEU 80 2HB LEU 80 8.712 1.520 -3.478 633 HG LEU 80 HG LEU 80 6.342 1.533 -2.937 634 1HD1 LEU 80 1HD1 LEU 80 5.797 -0.580 -2.047 635 2HD1 LEU 80 2HD1 LEU 80 7.106 -0.517 -0.831 636 3HD1 LEU 80 3HD1 LEU 80 5.693 0.511 -0.653 637 1HD2 LEU 80 1HD2 LEU 80 7.893 3.125 -1.863 638 2HD2 LEU 80 2HD2 LEU 80 6.536 2.734 -0.801 639 3HD2 LEU 80 3HD2 LEU 80 8.130 1.996 -0.508 640 H GLU 81 H GLU 81 8.606 1.258 -5.717 641 HA GLU 81 HA GLU 81 10.985 -0.162 -6.834 642 1HB GLU 81 1HB GLU 81 8.715 1.328 -8.227 643 2HB GLU 81 2HB GLU 81 10.203 0.845 -9.035 644 1HG GLU 81 1HG GLU 81 8.266 -1.084 -7.712 645 2HG GLU 81 2HG GLU 81 8.285 -0.689 -9.413 646 H GLY 82 H GLY 82 10.091 2.422 -5.011 647 1HA GLY 82 1HA GLY 82 11.084 4.388 -4.436 648 2HA GLY 82 2HA GLY 82 12.489 3.953 -5.427 649 H HIS 83 H HIS 83 9.207 4.080 -6.800 650 HA HIS 83 HA HIS 83 10.155 6.158 -8.709 651 1HB HIS 83 1HB HIS 83 7.902 4.121 -8.698 652 2HB HIS 83 2HB HIS 83 7.850 5.533 -9.747 653 HD1 HIS 83 HD1 HIS 83 10.946 3.199 -9.135 654 HD2 HIS 83 HD2 HIS 83 8.404 4.787 -12.098 655 HE1 HIS 83 HE1 HIS 83 11.917 2.492 -11.375 656 H HIS 84 H HIS 84 9.255 8.177 -8.782 657 HA HIS 84 HA HIS 84 6.990 8.849 -6.953 658 1HB HIS 84 1HB HIS 84 9.568 10.417 -7.373 659 2HB HIS 84 2HB HIS 84 8.185 10.967 -6.438 660 HD1 HIS 84 HD1 HIS 84 8.220 7.654 -5.186 661 HD2 HIS 84 HD2 HIS 84 10.867 10.920 -4.951 662 HE1 HIS 84 HE1 HIS 84 9.595 7.310 -3.068 663 H ARG 85 H ARG 85 7.486 8.427 -10.049 664 HA ARG 85 HA ARG 85 5.791 10.595 -10.960 665 1HB ARG 85 1HB ARG 85 7.434 11.019 -12.942 666 2HB ARG 85 2HB ARG 85 7.688 11.826 -11.411 667 1HG ARG 85 1HG ARG 85 9.818 11.200 -12.209 668 2HG ARG 85 2HG ARG 85 9.471 10.201 -10.815 669 1HD ARG 85 1HD ARG 85 8.702 8.425 -12.627 670 2HD ARG 85 2HD ARG 85 9.629 9.442 -13.738 671 HE ARG 85 HE ARG 85 11.353 9.052 -11.636 672 1HH1 ARG 85 1HH2 ARG 85 9.764 6.901 -13.964 673 2HH1 ARG 85 2HH2 ARG 85 10.525 5.455 -13.347 674 1HH2 ARG 85 1HH1 ARG 85 12.565 7.173 -11.022 675 2HH2 ARG 85 2HH1 ARG 85 12.265 5.662 -11.798 676 H PHE 86 H PHE 86 5.152 10.097 -13.306 677 HA PHE 86 HA PHE 86 5.197 7.166 -13.796 678 1HB PHE 86 1HB PHE 86 3.459 7.564 -15.440 679 2HB PHE 86 2HB PHE 86 2.967 8.042 -13.833 680 HD1 PHE 86 HD1 PHE 86 4.110 9.365 -17.155 681 HD2 PHE 86 HD2 PHE 86 2.158 10.244 -13.409 682 HE1 PHE 86 HE1 PHE 86 3.419 11.577 -18.035 683 HE2 PHE 86 HE2 PHE 86 1.496 12.474 -14.287 684 HZ PHE 86 HZ PHE 86 2.117 13.139 -16.601 685 H SER 87 H SER 87 6.063 6.422 -15.779 686 HA SER 87 HA SER 87 7.481 8.400 -17.507 687 1HB SER 87 1HB SER 87 8.588 5.817 -16.335 688 2HB SER 87 2HB SER 87 9.439 6.893 -17.456 689 HG SER 87 HG SER 87 9.330 8.525 -15.890 690 H ILE 88 H ILE 88 7.945 7.716 -19.634 691 HA ILE 88 HA ILE 88 6.257 5.471 -20.632 692 HB ILE 88 HB ILE 88 6.481 8.268 -21.838 693 1HG1 ILE 88 1HG1 ILE 88 4.142 6.935 -20.412 694 2HG1 ILE 88 2HG1 ILE 88 5.079 8.295 -19.786 695 1HG2 ILE 88 1HG2 ILE 88 4.812 7.426 -23.448 696 2HG2 ILE 88 2HG2 ILE 88 6.225 6.384 -23.475 697 3HG2 ILE 88 3HG2 ILE 88 4.770 5.864 -22.593 698 1HD1 ILE 88 1HD1 ILE 88 4.296 9.672 -21.735 699 2HD1 ILE 88 2HD1 ILE 88 3.192 8.337 -22.163 700 3HD1 ILE 88 3HD1 ILE 88 3.024 9.158 -20.607 701 H VAL 89 H VAL 89 7.676 4.036 -21.380 702 HA VAL 89 HA VAL 89 10.199 4.851 -22.665 703 HB VAL 89 HB VAL 89 8.825 2.131 -22.506 704 1HG1 VAL 89 1HG1 VAL 89 11.721 2.882 -23.110 705 2HG1 VAL 89 2HG1 VAL 89 11.074 1.231 -22.972 706 3HG1 VAL 89 3HG1 VAL 89 10.530 2.276 -24.285 707 1HG2 VAL 89 1HG2 VAL 89 10.531 1.659 -20.672 708 2HG2 VAL 89 2HG2 VAL 89 10.902 3.392 -20.649 709 3HG2 VAL 89 3HG2 VAL 89 9.279 2.809 -20.208 710 H TYR 90 H TYR 90 10.287 5.203 -24.881 711 HA TYR 90 HA TYR 90 7.710 5.243 -26.326 712 1HB TYR 90 1HB TYR 90 10.376 6.554 -26.957 713 2HB TYR 90 2HB TYR 90 8.877 6.770 -27.858 714 HD1 TYR 90 HD1 TYR 90 10.865 8.098 -25.206 715 HD2 TYR 90 HD2 TYR 90 6.773 7.581 -26.485 716 HE1 TYR 90 HE1 TYR 90 10.161 9.917 -23.683 717 HE2 TYR 90 HE2 TYR 90 6.060 9.394 -24.964 718 HH TYR 90 HH TYR 90 6.737 10.982 -23.394 719 H SER 91 H SER 91 8.825 2.691 -25.881 720 HA SER 91 HA SER 91 10.335 1.551 -27.940 721 1HB SER 91 1HB SER 91 8.620 -0.434 -27.146 722 2HB SER 91 2HB SER 91 10.107 0.027 -26.323 723 HG SER 91 HG SER 91 8.561 0.008 -24.797 Start of MODEL 18 1 1H MET 1 1H MET 1 2.653 -1.675 1.851 2 2H MET 1 2H MET 1 4.052 -0.908 1.525 3 3H MET 1 3H MET 1 2.864 -0.129 2.357 4 HA MET 1 HA MET 1 1.411 -0.214 0.453 5 1HB MET 1 1HB MET 1 3.362 1.631 0.855 6 2HB MET 1 2HB MET 1 3.909 0.977 -0.691 7 1HG MET 1 1HG MET 1 1.452 1.324 -1.458 8 2HG MET 1 2HG MET 1 1.239 2.256 0.013 9 1HE MET 1 1HE MET 1 3.173 1.708 -3.186 10 2HE MET 1 2HE MET 1 3.802 3.308 -3.666 11 3HE MET 1 3HE MET 1 4.602 2.383 -2.376 12 H LEU 2 H LEU 2 1.449 -0.489 -2.120 13 HA LEU 2 HA LEU 2 2.664 -3.169 -2.616 14 1HB LEU 2 1HB LEU 2 -0.167 -2.201 -2.660 15 2HB LEU 2 2HB LEU 2 0.322 -3.259 -3.962 16 HG LEU 2 HG LEU 2 1.092 -4.990 -2.363 17 1HD1 LEU 2 1HD1 LEU 2 1.572 -3.778 -0.364 18 2HD1 LEU 2 2HD1 LEU 2 -0.082 -3.107 -0.282 19 3HD1 LEU 2 3HD1 LEU 2 0.215 -4.836 -0.008 20 1HD2 LEU 2 1HD2 LEU 2 -1.174 -5.725 -1.768 21 2HD2 LEU 2 2HD2 LEU 2 -1.798 -4.089 -2.067 22 3HD2 LEU 2 3HD2 LEU 2 -1.137 -5.053 -3.403 23 H GLN 3 H GLN 3 2.128 -3.733 -5.014 24 HA GLN 3 HA GLN 3 2.971 -1.662 -6.922 25 1HB GLN 3 1HB GLN 3 5.009 -2.304 -5.796 26 2HB GLN 3 2HB GLN 3 4.549 -4.002 -5.788 27 1HG GLN 3 1HG GLN 3 4.947 -4.166 -8.207 28 2HG GLN 3 2HG GLN 3 5.319 -2.435 -8.262 29 1HE2 GLN 3 2HE2 GLN 3 7.520 -2.242 -8.502 30 2HE2 GLN 3 1HE2 GLN 3 8.712 -3.086 -7.499 31 H TYR 4 H TYR 4 2.853 -2.525 -9.150 32 HA TYR 4 HA TYR 4 1.898 -5.292 -9.405 33 1HB TYR 4 1HB TYR 4 0.227 -4.787 -11.089 34 2HB TYR 4 2HB TYR 4 -0.181 -4.070 -9.554 35 HD1 TYR 4 HD1 TYR 4 1.766 -2.911 -12.673 36 HD2 TYR 4 HD2 TYR 4 -1.394 -2.130 -9.845 37 HE1 TYR 4 HE1 TYR 4 1.448 -0.707 -13.664 38 HE2 TYR 4 HE2 TYR 4 -1.736 0.092 -10.865 39 HH TYR 4 HH TYR 4 0.336 1.334 -13.529 40 H ARG 5 H ARG 5 2.139 -6.121 -11.560 41 HA ARG 5 HA ARG 5 3.387 -4.341 -13.514 42 1HB ARG 5 1HB ARG 5 5.213 -5.915 -12.551 43 2HB ARG 5 2HB ARG 5 4.370 -7.216 -13.403 44 1HG ARG 5 1HG ARG 5 4.691 -6.032 -15.558 45 2HG ARG 5 2HG ARG 5 5.372 -4.633 -14.706 46 1HD ARG 5 1HD ARG 5 7.196 -6.143 -13.825 47 2HD ARG 5 2HD ARG 5 6.574 -7.420 -14.892 48 HE ARG 5 HE ARG 5 7.030 -5.036 -16.421 49 1HH1 ARG 5 1HH2 ARG 5 8.961 -7.488 -14.696 50 2HH1 ARG 5 2HH2 ARG 5 10.332 -7.302 -15.723 51 1HH2 ARG 5 2HH1 ARG 5 8.710 -4.869 -17.781 52 2HH2 ARG 5 1HH1 ARG 5 10.226 -5.725 -17.530 53 H ILE 6 H ILE 6 2.414 -4.688 -15.555 54 HA ILE 6 HA ILE 6 0.176 -6.655 -15.664 55 HB ILE 6 HB ILE 6 0.082 -3.630 -16.020 56 1HG1 ILE 6 1HG1 ILE 6 -1.560 -5.363 -14.136 57 2HG1 ILE 6 2HG1 ILE 6 -0.101 -4.509 -13.650 58 1HG2 ILE 6 1HG2 ILE 6 -2.112 -5.649 -16.631 59 2HG2 ILE 6 2HG2 ILE 6 -2.336 -3.889 -16.610 60 3HG2 ILE 6 3HG2 ILE 6 -1.268 -4.595 -17.795 61 1HD1 ILE 6 1HD1 ILE 6 -2.696 -3.235 -14.551 62 2HD1 ILE 6 2HD1 ILE 6 -1.905 -3.159 -12.970 63 3HD1 ILE 6 3HD1 ILE 6 -1.154 -2.360 -14.363 64 H ILE 7 H ILE 7 -0.317 -7.268 -17.814 65 HA ILE 7 HA ILE 7 1.054 -5.868 -19.987 66 HB ILE 7 HB ILE 7 1.015 -8.536 -20.819 67 1HG1 ILE 7 1HG1 ILE 7 0.973 -9.245 -18.359 68 2HG1 ILE 7 2HG1 ILE 7 2.129 -9.970 -19.450 69 1HG2 ILE 7 1HG2 ILE 7 3.384 -6.858 -19.950 70 2HG2 ILE 7 2HG2 ILE 7 3.451 -8.283 -21.014 71 3HG2 ILE 7 3HG2 ILE 7 2.601 -6.815 -21.525 72 1HD1 ILE 7 1HD1 ILE 7 2.891 -7.741 -17.515 73 2HD1 ILE 7 2HD1 ILE 7 3.080 -9.476 -17.209 74 3HD1 ILE 7 3HD1 ILE 7 3.976 -8.704 -18.526 75 H VAL 8 H VAL 8 -0.316 -5.572 -21.718 76 HA VAL 8 HA VAL 8 -3.049 -6.770 -21.572 77 HB VAL 8 HB VAL 8 -3.788 -4.343 -22.114 78 1HG1 VAL 8 1HG1 VAL 8 -2.865 -5.119 -19.334 79 2HG1 VAL 8 2HG1 VAL 8 -4.005 -3.812 -19.720 80 3HG1 VAL 8 3HG1 VAL 8 -4.426 -5.482 -20.106 81 1HG2 VAL 8 1HG2 VAL 8 -1.480 -3.402 -22.353 82 2HG2 VAL 8 2HG2 VAL 8 -2.507 -2.526 -21.210 83 3HG2 VAL 8 3HG2 VAL 8 -1.240 -3.612 -20.608 84 H ASP 9 H ASP 9 -4.317 -6.591 -23.441 85 HA ASP 9 HA ASP 9 -3.061 -5.765 -25.973 86 1HB ASP 9 1HB ASP 9 -2.493 -8.142 -25.808 87 2HB ASP 9 2HB ASP 9 -4.172 -8.546 -25.432 88 H GLY 10 H GLY 10 -4.712 -5.509 -27.654 89 1HA GLY 10 1HA GLY 10 -7.342 -5.574 -27.848 90 2HA GLY 10 2HA GLY 10 -7.171 -4.385 -26.532 91 H ARG 11 H ARG 11 -7.930 -2.709 -28.030 92 HA ARG 11 HA ARG 11 -6.016 -1.831 -30.078 93 1HB ARG 11 1HB ARG 11 -8.380 -1.377 -30.440 94 2HB ARG 11 2HB ARG 11 -8.533 -0.553 -28.901 95 1HG ARG 11 1HG ARG 11 -8.479 0.891 -31.007 96 2HG ARG 11 2HG ARG 11 -7.455 1.390 -29.675 97 1HD ARG 11 1HD ARG 11 -6.283 1.662 -31.777 98 2HD ARG 11 2HD ARG 11 -5.485 0.468 -30.749 99 HE ARG 11 HE ARG 11 -7.329 -0.742 -32.626 100 1HH1 ARG 11 1HH2 ARG 11 -4.044 0.614 -32.332 101 2HH1 ARG 11 2HH2 ARG 11 -3.401 -0.324 -33.635 102 1HH2 ARG 11 1HH1 ARG 11 -6.451 -1.997 -34.351 103 2HH2 ARG 11 2HH1 ARG 11 -4.799 -1.832 -34.805 104 H VAL 12 H VAL 12 -4.449 -2.332 -28.061 105 HA VAL 12 HA VAL 12 -4.473 -0.422 -25.934 106 HB VAL 12 HB VAL 12 -2.209 -1.454 -25.386 107 1HG1 VAL 12 1HG1 VAL 12 -3.242 -3.538 -24.602 108 2HG1 VAL 12 2HG1 VAL 12 -4.260 -2.117 -24.329 109 3HG1 VAL 12 3HG1 VAL 12 -4.654 -3.225 -25.648 110 1HG2 VAL 12 1HG2 VAL 12 -2.916 -3.462 -27.575 111 2HG2 VAL 12 2HG2 VAL 12 -1.612 -2.257 -27.689 112 3HG2 VAL 12 3HG2 VAL 12 -1.552 -3.518 -26.450 113 H GLN 13 H GLN 13 -3.335 0.040 -29.116 114 HA GLN 13 HA GLN 13 -2.006 2.525 -28.201 115 1HB GLN 13 1HB GLN 13 -1.028 0.722 -30.463 116 2HB GLN 13 2HB GLN 13 -0.383 2.314 -30.080 117 1HG GLN 13 1HG GLN 13 -0.246 -0.082 -28.187 118 2HG GLN 13 2HG GLN 13 1.002 0.348 -29.339 119 1HE2 GLN 13 2HE2 GLN 13 -0.661 1.492 -26.357 120 2HE2 GLN 13 1HE2 GLN 13 0.673 2.483 -25.847 121 H GLY 14 H GLY 14 -3.371 4.047 -28.854 122 1HA GLY 14 1HA GLY 14 -4.513 4.149 -31.550 123 2HA GLY 14 2HA GLY 14 -5.649 3.896 -30.205 124 H VAL 15 H VAL 15 -6.603 5.996 -30.298 125 HA VAL 15 HA VAL 15 -5.105 8.375 -30.580 126 HB VAL 15 HB VAL 15 -7.208 9.527 -29.960 127 1HG1 VAL 15 1HG1 VAL 15 -6.788 8.759 -32.271 128 2HG1 VAL 15 2HG1 VAL 15 -7.612 7.225 -31.920 129 3HG1 VAL 15 3HG1 VAL 15 -8.510 8.754 -31.865 130 1HG2 VAL 15 1HG2 VAL 15 -9.252 8.294 -29.509 131 2HG2 VAL 15 2HG2 VAL 15 -8.397 6.745 -29.558 132 3HG2 VAL 15 3HG2 VAL 15 -8.064 7.917 -28.258 133 H GLY 16 H GLY 16 -5.185 6.427 -27.767 134 1HA GLY 16 1HA GLY 16 -4.343 8.748 -26.074 135 2HA GLY 16 2HA GLY 16 -4.999 7.231 -25.466 136 H PHE 17 H PHE 17 -2.919 6.830 -28.160 137 HA PHE 17 HA PHE 17 -1.190 5.420 -28.365 138 1HB PHE 17 1HB PHE 17 -0.320 7.728 -28.486 139 2HB PHE 17 2HB PHE 17 0.075 7.667 -26.778 140 HD1 PHE 17 HD1 PHE 17 0.692 5.064 -29.479 141 HD2 PHE 17 HD2 PHE 17 2.417 7.941 -26.752 142 HE1 PHE 17 HE1 PHE 17 2.953 4.254 -30.043 143 HE2 PHE 17 HE2 PHE 17 4.678 7.112 -27.323 144 HZ PHE 17 HZ PHE 17 4.955 5.267 -28.969 145 H ARG 18 H ARG 18 0.943 5.726 -25.909 146 HA ARG 18 HA ARG 18 -0.299 3.599 -24.214 147 1HB ARG 18 1HB ARG 18 1.991 3.364 -23.245 148 2HB ARG 18 2HB ARG 18 1.911 2.967 -24.933 149 1HG ARG 18 1HG ARG 18 2.744 5.461 -25.311 150 2HG ARG 18 2HG ARG 18 3.177 5.358 -23.614 151 1HD ARG 18 1HD ARG 18 5.096 4.751 -25.005 152 2HD ARG 18 2HD ARG 18 4.535 3.289 -24.168 153 HE ARG 18 HE ARG 18 3.247 3.558 -26.735 154 1HH1 ARG 18 1HH2 ARG 18 6.462 2.731 -25.412 155 2HH1 ARG 18 2HH2 ARG 18 6.799 1.590 -26.651 156 1HH2 ARG 18 1HH1 ARG 18 3.719 2.166 -28.367 157 2HH2 ARG 18 2HH1 ARG 18 5.316 1.498 -28.572 158 H TYR 19 H TYR 19 -0.003 7.029 -24.266 159 HA TYR 19 HA TYR 19 0.653 7.294 -21.463 160 1HB TYR 19 1HB TYR 19 0.006 9.674 -21.750 161 2HB TYR 19 2HB TYR 19 1.297 9.100 -22.777 162 HD1 TYR 19 HD1 TYR 19 1.266 9.532 -25.068 163 HD2 TYR 19 HD2 TYR 19 -2.404 9.826 -22.815 164 HE1 TYR 19 HE1 TYR 19 0.119 10.460 -27.062 165 HE2 TYR 19 HE2 TYR 19 -3.554 10.758 -24.793 166 HH TYR 19 HH TYR 19 -3.359 11.358 -27.047 167 H PHE 20 H PHE 20 -2.374 6.528 -23.098 168 HA PHE 20 HA PHE 20 -4.141 7.648 -21.282 169 1HB PHE 20 1HB PHE 20 -5.783 6.251 -22.038 170 2HB PHE 20 2HB PHE 20 -4.674 6.271 -23.387 171 HD1 PHE 20 HD1 PHE 20 -3.308 4.200 -23.912 172 HD2 PHE 20 HD2 PHE 20 -6.226 4.238 -20.735 173 HE1 PHE 20 HE1 PHE 20 -3.361 1.721 -23.915 174 HE2 PHE 20 HE2 PHE 20 -6.304 1.753 -20.757 175 HZ PHE 20 HZ PHE 20 -4.887 0.495 -22.382 176 H VAL 21 H VAL 21 -2.454 4.449 -20.757 177 HA VAL 21 HA VAL 21 -3.719 4.169 -18.214 178 HB VAL 21 HB VAL 21 -2.019 2.507 -17.754 179 1HG1 VAL 21 1HG1 VAL 21 -3.071 2.191 -20.570 180 2HG1 VAL 21 2HG1 VAL 21 -2.734 0.895 -19.425 181 3HG1 VAL 21 3HG1 VAL 21 -4.077 2.006 -19.115 182 1HG2 VAL 21 1HG2 VAL 21 -0.036 3.430 -18.904 183 2HG2 VAL 21 2HG2 VAL 21 -0.386 1.772 -19.396 184 3HG2 VAL 21 3HG2 VAL 21 -0.824 3.108 -20.470 185 H GLN 22 H GLN 22 -0.741 5.908 -19.235 186 HA GLN 22 HA GLN 22 0.085 6.226 -16.509 187 1HB GLN 22 1HB GLN 22 1.448 6.419 -18.765 188 2HB GLN 22 2HB GLN 22 0.946 8.110 -18.713 189 1HG GLN 22 1HG GLN 22 3.155 7.834 -17.709 190 2HG GLN 22 2HG GLN 22 1.998 8.314 -16.467 191 1HE2 GLN 22 2HE2 GLN 22 4.198 5.672 -17.542 192 2HE2 GLN 22 1HE2 GLN 22 3.875 4.677 -16.125 193 H MET 23 H MET 23 -2.168 7.984 -18.578 194 HA MET 23 HA MET 23 -2.470 10.220 -16.767 195 1HB MET 23 1HB MET 23 -3.736 11.104 -18.330 196 2HB MET 23 2HB MET 23 -3.285 9.765 -19.370 197 1HG MET 23 1HG MET 23 -5.367 8.604 -18.836 198 2HG MET 23 2HG MET 23 -5.768 9.821 -17.615 199 1HE MET 23 1HE MET 23 -4.929 9.624 -21.563 200 2HE MET 23 2HE MET 23 -6.265 8.565 -21.022 201 3HE MET 23 3HE MET 23 -6.595 9.963 -22.076 202 H GLU 24 H GLU 24 -4.198 7.071 -17.192 203 HA GLU 24 HA GLU 24 -6.067 7.585 -15.110 204 1HB GLU 24 1HB GLU 24 -5.042 4.979 -16.304 205 2HB GLU 24 2HB GLU 24 -6.361 5.055 -15.139 206 1HG GLU 24 1HG GLU 24 -6.382 6.445 -17.871 207 2HG GLU 24 2HG GLU 24 -7.132 4.898 -17.507 208 H ALA 25 H ALA 25 -2.803 6.185 -15.092 209 HA ALA 25 HA ALA 25 -2.667 5.430 -12.360 210 1HB ALA 25 1HB ALA 25 -1.023 4.737 -14.058 211 2HB ALA 25 2HB ALA 25 -0.513 6.428 -14.282 212 3HB ALA 25 3HB ALA 25 -0.197 5.614 -12.754 213 H ASP 26 H ASP 26 -1.810 8.532 -14.020 214 HA ASP 26 HA ASP 26 -1.074 9.971 -11.690 215 1HB ASP 26 1HB ASP 26 -0.551 10.856 -13.859 216 2HB ASP 26 2HB ASP 26 -2.248 10.897 -14.328 217 H LYS 27 H LYS 27 -4.333 9.496 -13.146 218 HA LYS 27 HA LYS 27 -5.712 11.205 -11.378 219 1HB LYS 27 1HB LYS 27 -7.476 10.538 -12.561 220 2HB LYS 27 2HB LYS 27 -6.416 9.454 -13.441 221 1HG LYS 27 1HG LYS 27 -6.963 7.695 -11.617 222 2HG LYS 27 2HG LYS 27 -8.231 8.806 -11.077 223 1HD LYS 27 1HD LYS 27 -9.255 8.637 -13.308 224 2HD LYS 27 2HD LYS 27 -7.864 7.647 -13.849 225 1HE LYS 27 1HE LYS 27 -8.386 5.871 -12.337 226 2HE LYS 27 2HE LYS 27 -9.653 6.823 -11.539 227 1HZ LYS 27 1HZ LYS 27 -10.566 5.224 -13.146 228 2HZ LYS 27 2HZ LYS 27 -10.935 6.753 -13.581 229 3HZ LYS 27 3HZ LYS 27 -9.747 5.954 -14.378 230 H ARG 28 H ARG 28 -4.725 7.839 -10.971 231 HA ARG 28 HA ARG 28 -5.841 7.700 -8.247 232 1HB ARG 28 1HB ARG 28 -4.264 5.730 -9.978 233 2HB ARG 28 2HB ARG 28 -4.758 5.370 -8.335 234 1HG ARG 28 1HG ARG 28 -6.503 5.660 -10.765 235 2HG ARG 28 2HG ARG 28 -6.303 4.289 -9.695 236 1HD ARG 28 1HD ARG 28 -7.844 6.842 -9.145 237 2HD ARG 28 2HD ARG 28 -8.449 5.188 -9.291 238 HE ARG 28 HE ARG 28 -6.537 5.859 -7.107 239 1HH1 ARG 28 1HH1 ARG 28 -9.920 5.131 -7.931 240 2HH1 ARG 28 2HH1 ARG 28 -10.306 4.543 -6.357 241 1HH2 ARG 28 1HH2 ARG 28 -7.144 5.293 -4.961 242 2HH2 ARG 28 2HH2 ARG 28 -8.666 4.529 -4.676 243 H LYS 29 H LYS 29 -3.212 9.266 -9.338 244 HA LYS 29 HA LYS 29 -1.174 9.737 -8.726 245 1HB LYS 29 1HB LYS 29 -2.303 9.498 -5.904 246 2HB LYS 29 2HB LYS 29 -0.812 10.342 -6.348 247 1HG LYS 29 1HG LYS 29 -2.110 11.881 -7.811 248 2HG LYS 29 2HG LYS 29 -3.613 11.083 -7.305 249 1HD LYS 29 1HD LYS 29 -3.155 11.704 -4.948 250 2HD LYS 29 2HD LYS 29 -1.658 12.519 -5.457 251 1HE LYS 29 1HE LYS 29 -2.985 14.034 -6.916 252 2HE LYS 29 2HE LYS 29 -4.473 13.224 -6.409 253 1HZ LYS 29 1HZ LYS 29 -4.102 15.253 -5.162 254 2HZ LYS 29 2HZ LYS 29 -4.036 13.984 -4.145 255 3HZ LYS 29 3HZ LYS 29 -2.660 14.732 -4.615 256 H LEU 30 H LEU 30 -1.423 7.095 -9.404 257 HA LEU 30 HA LEU 30 0.438 5.470 -7.784 258 1HB LEU 30 1HB LEU 30 -0.672 5.272 -10.623 259 2HB LEU 30 2HB LEU 30 0.431 4.093 -9.910 260 HG LEU 30 HG LEU 30 -2.409 4.719 -9.011 261 1HD1 LEU 30 1HD1 LEU 30 -2.257 3.422 -11.092 262 2HD1 LEU 30 2HD1 LEU 30 -1.165 2.269 -10.310 263 3HD1 LEU 30 3HD1 LEU 30 -2.855 2.416 -9.766 264 1HD2 LEU 30 1HD2 LEU 30 -2.099 2.704 -7.513 265 2HD2 LEU 30 2HD2 LEU 30 -0.355 2.821 -7.838 266 3HD2 LEU 30 3HD2 LEU 30 -1.215 4.150 -7.018 267 H ALA 31 H ALA 31 2.597 4.860 -9.001 268 HA ALA 31 HA ALA 31 3.550 6.869 -10.947 269 1HB ALA 31 1HB ALA 31 5.611 7.285 -9.623 270 2HB ALA 31 2HB ALA 31 4.182 7.876 -8.763 271 3HB ALA 31 3HB ALA 31 4.948 6.346 -8.270 272 H GLY 32 H GLY 32 5.078 5.876 -12.363 273 1HA GLY 32 1HA GLY 32 6.241 3.287 -12.062 274 2HA GLY 32 2HA GLY 32 4.552 3.159 -12.565 275 H TRP 33 H TRP 33 5.598 2.120 -14.518 276 HA TRP 33 HA TRP 33 6.267 4.173 -16.526 277 1HB TRP 33 1HB TRP 33 7.901 2.886 -17.586 278 2HB TRP 33 2HB TRP 33 8.324 3.014 -15.900 279 HD1 TRP 33 HD1 TRP 33 6.222 0.179 -17.643 280 HE1 TRP 33 HE1 TRP 33 7.412 -2.051 -17.301 281 HE3 TRP 33 HE3 TRP 33 10.365 1.867 -15.135 282 HZ2 TRP 33 HZ2 TRP 33 9.923 -2.969 -16.236 283 HZ3 TRP 33 HZ3 TRP 33 12.167 0.284 -14.522 284 HH2 TRP 33 HH2 TRP 33 11.965 -2.133 -15.071 285 H VAL 34 H VAL 34 5.691 3.662 -18.738 286 HA VAL 34 HA VAL 34 4.137 1.146 -19.173 287 HB VAL 34 HB VAL 34 2.508 2.920 -18.897 288 1HG1 VAL 34 1HG1 VAL 34 2.257 4.728 -20.501 289 2HG1 VAL 34 2HG1 VAL 34 3.816 4.858 -19.680 290 3HG1 VAL 34 3HG1 VAL 34 3.739 4.231 -21.343 291 1HG2 VAL 34 1HG2 VAL 34 2.761 1.775 -21.710 292 2HG2 VAL 34 2HG2 VAL 34 1.925 1.065 -20.313 293 3HG2 VAL 34 3HG2 VAL 34 1.317 2.543 -21.072 294 H LYS 35 H LYS 35 4.518 0.128 -21.123 295 HA LYS 35 HA LYS 35 6.444 1.287 -23.039 296 1HB LYS 35 1HB LYS 35 7.003 -1.473 -21.984 297 2HB LYS 35 2HB LYS 35 8.092 -0.335 -22.779 298 1HG LYS 35 1HG LYS 35 8.061 1.037 -20.633 299 2HG LYS 35 2HG LYS 35 7.158 -0.280 -19.880 300 1HD LYS 35 1HD LYS 35 9.895 -0.563 -21.177 301 2HD LYS 35 2HD LYS 35 9.626 -0.362 -19.440 302 1HE LYS 35 1HE LYS 35 8.565 -2.465 -19.208 303 2HE LYS 35 2HE LYS 35 8.240 -2.613 -20.932 304 1HZ LYS 35 1HZ LYS 35 10.929 -2.804 -19.730 305 2HZ LYS 35 2HZ LYS 35 10.021 -4.040 -20.327 306 3HZ LYS 35 3HZ LYS 35 10.579 -2.878 -21.342 307 H ASN 36 H ASN 36 6.767 -0.449 -24.909 308 HA ASN 36 HA ASN 36 4.402 -2.258 -25.153 309 1HB ASN 36 1HB ASN 36 3.994 -0.456 -26.704 310 2HB ASN 36 2HB ASN 36 5.671 -0.519 -27.280 311 1HD2 ASN 36 2HD2 ASN 36 3.266 -3.258 -26.774 312 2HD2 ASN 36 1HD2 ASN 36 3.284 -3.715 -28.438 313 H ARG 37 H ARG 37 5.130 -4.325 -25.126 314 HA ARG 37 HA ARG 37 8.023 -4.813 -25.257 315 1HB ARG 37 1HB ARG 37 5.623 -6.664 -24.841 316 2HB ARG 37 2HB ARG 37 7.313 -7.181 -24.777 317 1HG ARG 37 1HG ARG 37 7.747 -5.677 -22.865 318 2HG ARG 37 2HG ARG 37 6.095 -5.064 -22.955 319 1HD ARG 37 1HD ARG 37 6.137 -6.668 -21.174 320 2HD ARG 37 2HD ARG 37 5.240 -7.378 -22.507 321 HE ARG 37 HE ARG 37 6.887 -8.967 -22.817 322 1HH1 ARG 37 1HH2 ARG 37 8.047 -6.580 -20.395 323 2HH1 ARG 37 2HH2 ARG 37 9.381 -7.574 -19.917 324 1HH2 ARG 37 1HH1 ARG 37 8.675 -10.227 -22.152 325 2HH2 ARG 37 2HH1 ARG 37 9.745 -9.667 -20.927 326 H ASP 38 H ASP 38 9.008 -6.242 -26.775 327 HA ASP 38 HA ASP 38 8.276 -5.891 -29.473 328 1HB ASP 38 1HB ASP 38 10.556 -6.380 -28.745 329 2HB ASP 38 2HB ASP 38 10.063 -7.971 -28.158 330 H ASP 39 H ASP 39 7.362 -8.423 -27.179 331 HA ASP 39 HA ASP 39 6.350 -10.367 -28.978 332 1HB ASP 39 1HB ASP 39 6.748 -10.768 -26.585 333 2HB ASP 39 2HB ASP 39 5.458 -9.636 -26.164 334 H GLY 40 H GLY 40 5.026 -7.257 -27.991 335 1HA GLY 40 1HA GLY 40 3.502 -6.340 -29.674 336 2HA GLY 40 2HA GLY 40 2.504 -7.791 -29.508 337 H ARG 41 H ARG 41 2.994 -7.796 -26.500 338 HA ARG 41 HA ARG 41 0.592 -6.461 -25.738 339 1HB ARG 41 1HB ARG 41 2.933 -7.256 -23.948 340 2HB ARG 41 2HB ARG 41 1.279 -6.950 -23.426 341 1HG ARG 41 1HG ARG 41 2.150 -9.252 -25.214 342 2HG ARG 41 2HG ARG 41 1.906 -9.360 -23.477 343 1HD ARG 41 1HD ARG 41 -0.301 -8.555 -25.413 344 2HD ARG 41 2HD ARG 41 0.036 -10.221 -24.926 345 HE ARG 41 HE ARG 41 -0.366 -8.324 -22.726 346 1HH1 ARG 41 1HH2 ARG 41 -1.999 -10.668 -24.881 347 2HH1 ARG 41 2HH2 ARG 41 -3.312 -10.906 -23.740 348 1HH2 ARG 41 1HH1 ARG 41 -2.128 -8.911 -21.190 349 2HH2 ARG 41 2HH1 ARG 41 -3.382 -9.966 -21.828 350 H VAL 42 H VAL 42 0.274 -4.596 -24.411 351 HA VAL 42 HA VAL 42 2.586 -2.707 -24.191 352 HB VAL 42 HB VAL 42 -0.393 -2.373 -23.866 353 1HG1 VAL 42 1HG1 VAL 42 1.713 -0.507 -22.679 354 2HG1 VAL 42 2HG1 VAL 42 -0.019 -0.146 -22.846 355 3HG1 VAL 42 3HG1 VAL 42 0.519 -1.437 -21.762 356 1HG2 VAL 42 1HG2 VAL 42 0.023 -0.450 -25.297 357 2HG2 VAL 42 2HG2 VAL 42 1.777 -0.744 -25.240 358 3HG2 VAL 42 3HG2 VAL 42 0.694 -1.909 -26.038 359 H GLU 43 H GLU 43 3.293 -2.189 -22.075 360 HA GLU 43 HA GLU 43 2.611 -4.174 -19.972 361 1HB GLU 43 1HB GLU 43 4.737 -4.779 -21.170 362 2HB GLU 43 2HB GLU 43 5.384 -3.183 -20.769 363 1HG GLU 43 1HG GLU 43 4.774 -3.979 -18.273 364 2HG GLU 43 2HG GLU 43 4.893 -5.574 -18.987 365 H ILE 44 H ILE 44 2.628 -3.276 -17.893 366 HA ILE 44 HA ILE 44 3.266 -0.408 -17.594 367 HB ILE 44 HB ILE 44 0.906 -1.619 -16.212 368 1HG1 ILE 44 1HG1 ILE 44 0.617 -0.566 -19.050 369 2HG1 ILE 44 2HG1 ILE 44 0.384 -2.240 -18.535 370 1HG2 ILE 44 1HG2 ILE 44 1.844 0.686 -15.696 371 2HG2 ILE 44 2HG2 ILE 44 1.339 1.193 -17.313 372 3HG2 ILE 44 3HG2 ILE 44 0.134 0.689 -16.106 373 1HD1 ILE 44 1HD1 ILE 44 -1.765 -1.261 -18.778 374 2HD1 ILE 44 2HD1 ILE 44 -1.478 -1.520 -17.044 375 3HD1 ILE 44 3HD1 ILE 44 -1.340 0.110 -17.743 376 H LEU 45 H LEU 45 4.055 0.037 -15.484 377 HA LEU 45 HA LEU 45 4.163 -2.130 -13.436 378 1HB LEU 45 1HB LEU 45 6.326 -2.163 -14.775 379 2HB LEU 45 2HB LEU 45 6.494 -0.441 -14.437 380 HG LEU 45 HG LEU 45 6.297 -1.279 -11.897 381 1HD1 LEU 45 1HD1 LEU 45 7.557 -3.665 -13.304 382 2HD1 LEU 45 2HD1 LEU 45 7.452 -3.401 -11.546 383 3HD1 LEU 45 3HD1 LEU 45 5.977 -3.647 -12.487 384 1HD2 LEU 45 1HD2 LEU 45 8.170 0.006 -12.861 385 2HD2 LEU 45 2HD2 LEU 45 8.734 -1.252 -11.760 386 3HD2 LEU 45 3HD2 LEU 45 8.861 -1.497 -13.519 387 H ALA 46 H ALA 46 3.792 -1.063 -11.330 388 HA ALA 46 HA ALA 46 4.615 1.651 -10.977 389 1HB ALA 46 1HB ALA 46 1.631 1.090 -10.857 390 2HB ALA 46 2HB ALA 46 2.403 2.631 -10.492 391 3HB ALA 46 3HB ALA 46 2.408 2.043 -12.160 392 H GLU 47 H GLU 47 4.007 2.427 -8.777 393 HA GLU 47 HA GLU 47 3.228 0.295 -6.877 394 1HB GLU 47 1HB GLU 47 4.670 1.204 -5.181 395 2HB GLU 47 2HB GLU 47 5.585 0.570 -6.543 396 1HG GLU 47 1HG GLU 47 6.103 2.821 -7.316 397 2HG GLU 47 2HG GLU 47 5.000 3.531 -6.134 398 H GLY 48 H GLY 48 2.077 1.007 -5.003 399 1HA GLY 48 1HA GLY 48 1.214 3.553 -4.363 400 2HA GLY 48 2HA GLY 48 0.087 2.990 -5.597 401 HA PRO 49 HA PRO 49 -1.184 1.118 -1.502 402 1HB PRO 49 1HB PRO 49 -3.552 2.427 -1.065 403 2HB PRO 49 2HB PRO 49 -1.964 3.057 -0.527 404 1HG PRO 49 1HG PRO 49 -3.540 3.811 -2.984 405 2HG PRO 49 2HG PRO 49 -2.692 4.891 -1.841 406 1HD PRO 49 1HD PRO 49 -1.604 4.082 -4.253 407 2HD PRO 49 2HD PRO 49 -0.603 4.443 -2.813 408 H GLU 50 H GLU 50 -2.930 -0.416 -1.248 409 HA GLU 50 HA GLU 50 -3.316 -1.949 -3.511 410 1HB GLU 50 1HB GLU 50 -3.440 -2.687 -1.125 411 2HB GLU 50 2HB GLU 50 -5.029 -1.933 -0.990 412 1HG GLU 50 1HG GLU 50 -5.879 -3.455 -2.793 413 2HG GLU 50 2HG GLU 50 -4.285 -4.204 -2.890 414 H ASN 51 H ASN 51 -5.743 0.268 -2.014 415 HA ASN 51 HA ASN 51 -7.843 -0.390 -3.821 416 1HB ASN 51 1HB ASN 51 -8.290 0.779 -1.712 417 2HB ASN 51 2HB ASN 51 -7.350 2.178 -2.249 418 1HD2 ASN 51 2HD2 ASN 51 -10.276 0.211 -3.108 419 2HD2 ASN 51 1HD2 ASN 51 -11.098 1.524 -3.905 420 H ALA 52 H ALA 52 -5.201 1.992 -4.083 421 HA ALA 52 HA ALA 52 -6.283 3.351 -6.400 422 1HB ALA 52 1HB ALA 52 -3.945 4.234 -6.593 423 2HB ALA 52 2HB ALA 52 -4.599 4.435 -4.960 424 3HB ALA 52 3HB ALA 52 -3.434 3.135 -5.309 425 H LEU 53 H LEU 53 -3.892 0.744 -5.896 426 HA LEU 53 HA LEU 53 -3.243 0.347 -8.635 427 1HB LEU 53 1HB LEU 53 -3.239 -1.548 -6.262 428 2HB LEU 53 2HB LEU 53 -2.514 -1.940 -7.815 429 HG LEU 53 HG LEU 53 -1.648 0.450 -6.126 430 1HD1 LEU 53 1HD1 LEU 53 -0.522 -2.380 -6.248 431 2HD1 LEU 53 2HD1 LEU 53 0.240 -0.984 -5.450 432 3HD1 LEU 53 3HD1 LEU 53 -1.308 -1.592 -4.856 433 1HD2 LEU 53 1HD2 LEU 53 -0.982 0.498 -8.568 434 2HD2 LEU 53 2HD2 LEU 53 0.358 0.486 -7.421 435 3HD2 LEU 53 3HD2 LEU 53 -0.064 -0.998 -8.271 436 H GLN 54 H GLN 54 -5.650 -1.313 -6.563 437 HA GLN 54 HA GLN 54 -6.600 -3.019 -8.613 438 1HB GLN 54 1HB GLN 54 -7.777 -2.071 -5.980 439 2HB GLN 54 2HB GLN 54 -8.657 -3.173 -7.033 440 1HG GLN 54 1HG GLN 54 -5.842 -3.730 -5.982 441 2HG GLN 54 2HG GLN 54 -7.316 -4.312 -5.218 442 1HE2 GLN 54 2HE2 GLN 54 -4.867 -5.504 -7.041 443 2HE2 GLN 54 1HE2 GLN 54 -5.760 -6.637 -8.035 444 H SER 55 H SER 55 -7.878 0.154 -7.521 445 HA SER 55 HA SER 55 -10.114 0.147 -9.298 446 1HB SER 55 1HB SER 55 -8.568 2.552 -8.245 447 2HB SER 55 2HB SER 55 -10.223 2.546 -8.885 448 HG SER 55 HG SER 55 -9.200 1.421 -6.505 449 H PHE 56 H PHE 56 -6.743 1.334 -9.711 450 HA PHE 56 HA PHE 56 -7.009 2.313 -12.354 451 1HB PHE 56 1HB PHE 56 -5.061 2.847 -11.093 452 2HB PHE 56 2HB PHE 56 -4.713 1.158 -10.746 453 HD1 PHE 56 HD1 PHE 56 -4.610 3.778 -13.368 454 HD2 PHE 56 HD2 PHE 56 -3.669 -0.314 -12.353 455 HE1 PHE 56 HE1 PHE 56 -3.293 3.541 -15.440 456 HE2 PHE 56 HE2 PHE 56 -2.320 -0.507 -14.418 457 HZ PHE 56 HZ PHE 56 -2.099 1.417 -15.942 458 H VAL 57 H VAL 57 -6.134 -1.051 -11.193 459 HA VAL 57 HA VAL 57 -5.845 -2.134 -13.775 460 HB VAL 57 HB VAL 57 -6.689 -3.352 -11.112 461 1HG1 VAL 57 1HG1 VAL 57 -7.631 -4.869 -12.780 462 2HG1 VAL 57 2HG1 VAL 57 -6.101 -4.880 -13.681 463 3HG1 VAL 57 3HG1 VAL 57 -6.198 -5.600 -12.058 464 1HG2 VAL 57 1HG2 VAL 57 -4.286 -2.511 -11.463 465 2HG2 VAL 57 2HG2 VAL 57 -4.449 -4.209 -11.004 466 3HG2 VAL 57 3HG2 VAL 57 -4.130 -3.770 -12.694 467 H GLU 58 H GLU 58 -8.871 -1.700 -11.820 468 HA GLU 58 HA GLU 58 -10.541 -2.987 -13.737 469 1HB GLU 58 1HB GLU 58 -11.194 -0.781 -11.736 470 2HB GLU 58 2HB GLU 58 -12.389 -1.632 -12.718 471 1HG GLU 58 1HG GLU 58 -11.624 -3.799 -11.730 472 2HG GLU 58 2HG GLU 58 -10.540 -2.904 -10.666 473 H ALA 59 H ALA 59 -9.454 0.403 -13.462 474 HA ALA 59 HA ALA 59 -11.019 1.427 -15.607 475 1HB ALA 59 1HB ALA 59 -9.839 2.808 -13.898 476 2HB ALA 59 2HB ALA 59 -8.286 2.395 -14.648 477 3HB ALA 59 3HB ALA 59 -9.488 3.314 -15.568 478 H VAL 60 H VAL 60 -7.704 0.021 -15.605 479 HA VAL 60 HA VAL 60 -7.177 0.273 -18.417 480 HB VAL 60 HB VAL 60 -6.245 -1.832 -16.385 481 1HG1 VAL 60 1HG1 VAL 60 -5.035 -1.108 -19.081 482 2HG1 VAL 60 2HG1 VAL 60 -4.347 -2.224 -17.880 483 3HG1 VAL 60 3HG1 VAL 60 -5.866 -2.634 -18.673 484 1HG2 VAL 60 1HG2 VAL 60 -4.879 0.719 -17.348 485 2HG2 VAL 60 2HG2 VAL 60 -5.529 0.441 -15.727 486 3HG2 VAL 60 3HG2 VAL 60 -4.177 -0.525 -16.286 487 H LYS 61 H LYS 61 -8.465 -2.528 -16.492 488 HA LYS 61 HA LYS 61 -8.778 -4.243 -18.677 489 1HB LYS 61 1HB LYS 61 -8.743 -4.916 -16.302 490 2HB LYS 61 2HB LYS 61 -10.320 -4.158 -16.040 491 1HG LYS 61 1HG LYS 61 -11.386 -5.737 -17.575 492 2HG LYS 61 2HG LYS 61 -9.812 -6.427 -18.012 493 1HD LYS 61 1HD LYS 61 -9.522 -7.170 -15.632 494 2HD LYS 61 2HD LYS 61 -11.115 -6.487 -15.245 495 1HE LYS 61 1HE LYS 61 -12.162 -8.007 -16.917 496 2HE LYS 61 2HE LYS 61 -10.576 -8.691 -17.291 497 1HZ LYS 61 1HZ LYS 61 -11.789 -10.069 -15.729 498 2HZ LYS 61 2HZ LYS 61 -10.456 -9.488 -14.997 499 3HZ LYS 61 3HZ LYS 61 -11.925 -8.854 -14.655 500 H ASN 62 H ASN 62 -11.194 -1.990 -17.248 501 HA ASN 62 HA ASN 62 -13.336 -2.788 -18.976 502 1HB ASN 62 1HB ASN 62 -13.648 -1.531 -16.847 503 2HB ASN 62 2HB ASN 62 -12.865 -0.123 -17.573 504 1HD2 ASN 62 2HD2 ASN 62 -14.316 1.378 -18.392 505 2HD2 ASN 62 1HD2 ASN 62 -15.913 0.992 -19.005 506 H GLY 63 H GLY 63 -10.503 -0.753 -19.531 507 1HA GLY 63 1HA GLY 63 -9.891 0.637 -21.216 508 2HA GLY 63 2HA GLY 63 -10.969 -0.311 -22.267 509 H SER 64 H SER 64 -11.571 1.846 -19.411 510 HA SER 64 HA SER 64 -13.944 2.947 -20.451 511 1HB SER 64 1HB SER 64 -12.174 4.339 -18.425 512 2HB SER 64 2HB SER 64 -13.931 4.364 -18.574 513 HG SER 64 HG SER 64 -13.113 2.981 -16.898 514 HA PRO 65 HA PRO 65 -11.495 6.557 -22.384 515 1HB PRO 65 1HB PRO 65 -8.808 6.804 -22.278 516 2HB PRO 65 2HB PRO 65 -9.813 7.220 -20.862 517 1HG PRO 65 1HG PRO 65 -8.405 4.582 -21.414 518 2HG PRO 65 2HG PRO 65 -8.262 5.612 -19.948 519 1HD PRO 65 1HD PRO 65 -9.987 3.517 -20.075 520 2HD PRO 65 2HD PRO 65 -10.408 5.029 -19.220 521 H PHE 66 H PHE 66 -9.769 6.716 -24.323 522 HA PHE 66 HA PHE 66 -9.086 4.043 -25.399 523 1HB PHE 66 1HB PHE 66 -9.817 6.552 -26.882 524 2HB PHE 66 2HB PHE 66 -8.563 5.503 -27.522 525 HD1 PHE 66 HD1 PHE 66 -9.009 3.317 -28.442 526 HD2 PHE 66 HD2 PHE 66 -12.176 5.654 -26.664 527 HE1 PHE 66 HE1 PHE 66 -10.697 1.797 -29.441 528 HE2 PHE 66 HE2 PHE 66 -13.859 4.129 -27.671 529 HZ PHE 66 HZ PHE 66 -13.122 2.204 -29.064 530 H SER 67 H SER 67 -5.613 5.222 -25.362 531 HA SER 67 HA SER 67 -7.123 3.534 -27.042 532 1HB SER 67 1HB SER 67 -4.579 2.668 -25.726 533 2HB SER 67 2HB SER 67 -5.105 2.514 -27.402 534 HG SER 67 HG SER 67 -3.436 4.231 -26.540 535 H LYS 68 H LYS 68 -6.954 0.946 -26.506 536 HA LYS 68 HA LYS 68 -8.626 0.711 -24.041 537 1HB LYS 68 1HB LYS 68 -9.777 1.379 -26.282 538 2HB LYS 68 2HB LYS 68 -9.442 -0.279 -26.796 539 1HG LYS 68 1HG LYS 68 -10.766 -1.091 -24.809 540 2HG LYS 68 2HG LYS 68 -11.082 0.605 -24.388 541 1HD LYS 68 1HD LYS 68 -12.255 0.913 -26.559 542 2HD LYS 68 2HD LYS 68 -11.865 -0.756 -26.997 543 1HE LYS 68 1HE LYS 68 -14.097 -0.850 -26.228 544 2HE LYS 68 2HE LYS 68 -13.122 -1.514 -24.918 545 1HZ LYS 68 1HZ LYS 68 -13.302 0.718 -23.825 546 2HZ LYS 68 2HZ LYS 68 -14.268 1.225 -25.045 547 3HZ LYS 68 3HZ LYS 68 -14.760 0.021 -24.067 548 H VAL 69 H VAL 69 -9.256 -1.591 -23.583 549 HA VAL 69 HA VAL 69 -7.089 -3.521 -24.272 550 HB VAL 69 HB VAL 69 -8.370 -2.918 -21.575 551 1HG1 VAL 69 1HG1 VAL 69 -7.815 -5.273 -21.649 552 2HG1 VAL 69 2HG1 VAL 69 -6.178 -4.899 -22.248 553 3HG1 VAL 69 3HG1 VAL 69 -6.680 -4.438 -20.603 554 1HG2 VAL 69 1HG2 VAL 69 -6.754 -1.144 -22.155 555 2HG2 VAL 69 2HG2 VAL 69 -6.110 -2.160 -20.881 556 3HG2 VAL 69 3HG2 VAL 69 -5.525 -2.379 -22.532 557 H THR 70 H THR 70 -7.847 -5.642 -24.521 558 HA THR 70 HA THR 70 -10.647 -6.245 -23.752 559 HB THR 70 HB THR 70 -10.844 -7.611 -25.836 560 HG1 THR 70 HG1 THR 70 -9.377 -7.379 -27.432 561 1HG2 THR 70 1HG2 THR 70 -11.390 -5.784 -27.331 562 2HG2 THR 70 2HG2 THR 70 -11.813 -5.285 -25.685 563 3HG2 THR 70 3HG2 THR 70 -10.337 -4.661 -26.450 564 H ASP 71 H ASP 71 -7.336 -6.973 -23.399 565 HA ASP 71 HA ASP 71 -8.037 -9.382 -21.889 566 1HB ASP 71 1HB ASP 71 -7.484 -10.339 -24.098 567 2HB ASP 71 2HB ASP 71 -5.977 -9.419 -24.137 568 H ILE 72 H ILE 72 -6.594 -9.657 -20.151 569 HA ILE 72 HA ILE 72 -4.318 -7.820 -19.871 570 HB ILE 72 HB ILE 72 -6.231 -6.507 -19.144 571 1HG1 ILE 72 1HG1 ILE 72 -4.806 -7.458 -16.637 572 2HG1 ILE 72 2HG1 ILE 72 -4.025 -6.474 -17.863 573 1HG2 ILE 72 1HG2 ILE 72 -7.873 -8.258 -18.618 574 2HG2 ILE 72 2HG2 ILE 72 -6.929 -8.734 -17.187 575 3HG2 ILE 72 3HG2 ILE 72 -7.689 -7.141 -17.271 576 1HD1 ILE 72 1HD1 ILE 72 -5.803 -4.706 -17.508 577 2HD1 ILE 72 2HD1 ILE 72 -6.403 -5.670 -16.140 578 3HD1 ILE 72 3HD1 ILE 72 -4.765 -5.010 -16.105 579 H SER 73 H SER 73 -2.793 -8.548 -18.412 580 HA SER 73 HA SER 73 -3.376 -10.896 -16.705 581 1HB SER 73 1HB SER 73 -0.879 -10.525 -18.423 582 2HB SER 73 2HB SER 73 -1.186 -11.850 -17.286 583 HG SER 73 HG SER 73 -1.634 -12.454 -19.442 584 H VAL 74 H VAL 74 -2.269 -10.709 -14.694 585 HA VAL 74 HA VAL 74 -0.830 -8.162 -14.182 586 HB VAL 74 HB VAL 74 -3.214 -9.199 -12.580 587 1HG1 VAL 74 1HG1 VAL 74 -1.561 -6.652 -12.298 588 2HG1 VAL 74 2HG1 VAL 74 -3.112 -6.932 -11.484 589 3HG1 VAL 74 3HG1 VAL 74 -1.738 -7.962 -11.121 590 1HG2 VAL 74 1HG2 VAL 74 -4.145 -8.373 -14.619 591 2HG2 VAL 74 2HG2 VAL 74 -4.414 -7.143 -13.392 592 3HG2 VAL 74 3HG2 VAL 74 -3.121 -6.922 -14.592 593 H THR 75 H THR 75 0.618 -8.283 -12.523 594 HA THR 75 HA THR 75 0.590 -10.590 -10.675 595 HB THR 75 HB THR 75 3.100 -9.224 -11.765 596 HG1 THR 75 HG1 THR 75 2.142 -10.562 -13.320 597 1HG2 THR 75 1HG2 THR 75 4.297 -11.092 -10.644 598 2HG2 THR 75 2HG2 THR 75 3.403 -10.100 -9.486 599 3HG2 THR 75 3HG2 THR 75 2.754 -11.679 -9.980 600 H GLU 76 H GLU 76 0.841 -9.778 -8.499 601 HA GLU 76 HA GLU 76 1.074 -6.839 -8.217 602 1HB GLU 76 1HB GLU 76 -1.356 -7.623 -8.271 603 2HB GLU 76 2HB GLU 76 -1.016 -8.534 -6.792 604 1HG GLU 76 1HG GLU 76 -0.330 -6.350 -5.703 605 2HG GLU 76 2HG GLU 76 -0.762 -5.525 -7.209 606 H SER 77 H SER 77 2.124 -6.240 -6.315 607 HA SER 77 HA SER 77 3.551 -8.343 -4.783 608 1HB SER 77 1HB SER 77 4.872 -6.267 -6.595 609 2HB SER 77 2HB SER 77 5.690 -7.523 -5.655 610 HG SER 77 HG SER 77 5.491 -8.098 -7.848 611 H ARG 78 H ARG 78 5.260 -7.123 -3.356 612 HA ARG 78 HA ARG 78 4.508 -4.334 -2.709 613 1HB ARG 78 1HB ARG 78 4.627 -4.885 -0.242 614 2HB ARG 78 2HB ARG 78 3.180 -5.316 -1.106 615 1HG ARG 78 1HG ARG 78 5.251 -7.474 -0.877 616 2HG ARG 78 2HG ARG 78 4.454 -6.987 0.614 617 1HD ARG 78 1HD ARG 78 2.855 -7.666 -1.880 618 2HD ARG 78 2HD ARG 78 3.370 -8.906 -0.717 619 HE ARG 78 HE ARG 78 2.170 -7.061 0.884 620 1HH1 ARG 78 1HH2 ARG 78 1.074 -8.799 -2.013 621 2HH1 ARG 78 2HH2 ARG 78 -0.587 -8.804 -1.557 622 1HH2 ARG 78 1HH1 ARG 78 -0.045 -7.098 1.510 623 2HH2 ARG 78 2HH1 ARG 78 -1.232 -7.815 0.493 624 H SER 79 H SER 79 6.840 -5.979 -3.995 625 HA SER 79 HA SER 79 9.098 -5.635 -2.312 626 1HB SER 79 1HB SER 79 9.060 -5.670 -5.350 627 2HB SER 79 2HB SER 79 10.347 -6.211 -4.262 628 HG SER 79 HG SER 79 9.136 -7.967 -5.083 629 H LEU 80 H LEU 80 7.389 -3.524 -4.542 630 HA LEU 80 HA LEU 80 7.401 -1.337 -4.996 631 1HB LEU 80 1HB LEU 80 9.363 -0.932 -2.713 632 2HB LEU 80 2HB LEU 80 8.524 0.328 -3.586 633 HG LEU 80 HG LEU 80 7.199 -1.776 -1.835 634 1HD1 LEU 80 1HD1 LEU 80 6.705 0.120 -0.356 635 2HD1 LEU 80 2HD1 LEU 80 8.450 -0.046 -0.594 636 3HD1 LEU 80 3HD1 LEU 80 7.559 1.226 -1.458 637 1HD2 LEU 80 1HD2 LEU 80 5.659 -1.176 -3.655 638 2HD2 LEU 80 2HD2 LEU 80 5.133 -0.423 -2.160 639 3HD2 LEU 80 3HD2 LEU 80 5.982 0.552 -3.378 640 H GLU 81 H GLU 81 8.940 0.515 -5.668 641 HA GLU 81 HA GLU 81 11.318 -0.556 -7.094 642 1HB GLU 81 1HB GLU 81 10.362 0.267 -9.249 643 2HB GLU 81 2HB GLU 81 9.502 -1.085 -8.541 644 1HG GLU 81 1HG GLU 81 7.850 0.680 -7.569 645 2HG GLU 81 2HG GLU 81 8.654 1.830 -8.640 646 H GLY 82 H GLY 82 9.689 2.129 -5.567 647 1HA GLY 82 1HA GLY 82 10.723 4.018 -4.768 648 2HA GLY 82 2HA GLY 82 12.171 3.680 -5.730 649 H HIS 83 H HIS 83 9.129 3.560 -7.457 650 HA HIS 83 HA HIS 83 9.781 5.896 -9.059 651 1HB HIS 83 1HB HIS 83 7.603 3.836 -9.029 652 2HB HIS 83 2HB HIS 83 7.154 5.431 -9.584 653 HD1 HIS 83 HD1 HIS 83 7.796 6.121 -11.993 654 HD2 HIS 83 HD2 HIS 83 9.722 2.657 -10.551 655 HE1 HIS 83 HE1 HIS 83 9.011 5.088 -13.973 656 H HIS 84 H HIS 84 9.438 7.894 -8.477 657 HA HIS 84 HA HIS 84 6.929 8.624 -7.062 658 1HB HIS 84 1HB HIS 84 9.644 9.967 -6.686 659 2HB HIS 84 2HB HIS 84 8.119 10.499 -5.981 660 HD1 HIS 84 HD1 HIS 84 7.030 8.714 -4.085 661 HD2 HIS 84 HD2 HIS 84 11.016 8.168 -5.331 662 HE1 HIS 84 HE1 HIS 84 8.112 7.180 -2.367 663 H ARG 85 H ARG 85 7.704 8.226 -9.894 664 HA ARG 85 HA ARG 85 7.145 10.829 -11.104 665 1HB ARG 85 1HB ARG 85 9.613 9.126 -11.762 666 2HB ARG 85 2HB ARG 85 9.078 10.518 -12.691 667 1HG ARG 85 1HG ARG 85 10.092 10.611 -9.816 668 2HG ARG 85 2HG ARG 85 11.023 10.995 -11.258 669 1HD ARG 85 1HD ARG 85 9.463 12.834 -11.819 670 2HD ARG 85 2HD ARG 85 8.524 12.510 -10.366 671 HE ARG 85 HE ARG 85 11.183 13.749 -10.586 672 1HH1 ARG 85 1HH2 ARG 85 8.736 12.460 -8.334 673 2HH1 ARG 85 2HH2 ARG 85 9.339 13.353 -6.980 674 1HH2 ARG 85 1HH1 ARG 85 11.987 14.885 -8.772 675 2HH2 ARG 85 2HH1 ARG 85 11.236 14.733 -7.231 676 H PHE 86 H PHE 86 6.651 10.423 -13.448 677 HA PHE 86 HA PHE 86 5.565 7.676 -13.882 678 1HB PHE 86 1HB PHE 86 4.779 10.231 -15.323 679 2HB PHE 86 2HB PHE 86 3.999 8.658 -15.369 680 HD1 PHE 86 HD1 PHE 86 4.513 11.721 -13.327 681 HD2 PHE 86 HD2 PHE 86 2.392 7.981 -13.695 682 HE1 PHE 86 HE1 PHE 86 2.935 12.434 -11.550 683 HE2 PHE 86 HE2 PHE 86 0.800 8.716 -11.965 684 HZ PHE 86 HZ PHE 86 1.074 10.933 -10.863 685 H SER 87 H SER 87 6.207 6.618 -15.787 686 HA SER 87 HA SER 87 8.120 8.051 -17.578 687 1HB SER 87 1HB SER 87 8.494 5.302 -16.335 688 2HB SER 87 2HB SER 87 9.576 6.081 -17.503 689 HG SER 87 HG SER 87 10.409 6.485 -15.497 690 H ILE 88 H ILE 88 8.382 7.251 -19.642 691 HA ILE 88 HA ILE 88 6.479 5.227 -20.615 692 HB ILE 88 HB ILE 88 6.875 7.961 -21.931 693 1HG1 ILE 88 1HG1 ILE 88 4.520 6.894 -20.309 694 2HG1 ILE 88 2HG1 ILE 88 5.501 8.311 -19.957 695 1HG2 ILE 88 1HG2 ILE 88 5.102 7.104 -23.471 696 2HG2 ILE 88 2HG2 ILE 88 6.524 6.076 -23.487 697 3HG2 ILE 88 3HG2 ILE 88 5.103 5.575 -22.545 698 1HD1 ILE 88 1HD1 ILE 88 3.394 9.062 -20.787 699 2HD1 ILE 88 2HD1 ILE 88 4.604 9.396 -22.044 700 3HD1 ILE 88 3HD1 ILE 88 3.479 8.021 -22.208 701 H VAL 89 H VAL 89 7.547 3.876 -22.022 702 HA VAL 89 HA VAL 89 10.261 4.643 -22.974 703 HB VAL 89 HB VAL 89 9.712 1.873 -21.908 704 1HG1 VAL 89 1HG1 VAL 89 12.237 3.575 -22.033 705 2HG1 VAL 89 2HG1 VAL 89 12.138 1.896 -21.461 706 3HG1 VAL 89 3HG1 VAL 89 11.798 2.260 -23.148 707 1HG2 VAL 89 1HG2 VAL 89 9.102 3.206 -19.944 708 2HG2 VAL 89 2HG2 VAL 89 10.670 2.452 -19.691 709 3HG2 VAL 89 3HG2 VAL 89 10.587 4.177 -20.111 710 H TYR 90 H TYR 90 10.928 3.320 -24.856 711 HA TYR 90 HA TYR 90 8.770 2.797 -26.666 712 1HB TYR 90 1HB TYR 90 11.046 3.555 -27.330 713 2HB TYR 90 2HB TYR 90 11.684 1.974 -26.901 714 HD1 TYR 90 HD1 TYR 90 11.419 0.082 -28.417 715 HD2 TYR 90 HD2 TYR 90 9.364 3.800 -29.188 716 HE1 TYR 90 HE1 TYR 90 10.820 -0.723 -30.678 717 HE2 TYR 90 HE2 TYR 90 8.753 3.002 -31.448 718 HH TYR 90 HH TYR 90 8.897 1.257 -32.989 719 H SER 91 H SER 91 11.139 0.613 -25.105 720 HA SER 91 HA SER 91 9.195 -1.507 -24.657 721 1HB SER 91 1HB SER 91 11.686 -1.982 -26.362 722 2HB SER 91 2HB SER 91 10.548 -3.210 -25.790 723 HG SER 91 HG SER 91 8.912 -2.124 -26.994 Start of MODEL 19 1 1H MET 1 1H MET 1 2.524 -1.744 1.708 2 2H MET 1 2H MET 1 3.898 -0.922 1.414 3 3H MET 1 3H MET 1 2.661 -0.189 2.215 4 HA MET 1 HA MET 1 1.258 -0.326 0.289 5 1HB MET 1 1HB MET 1 3.124 1.581 0.720 6 2HB MET 1 2HB MET 1 3.753 0.944 -0.799 7 1HG MET 1 1HG MET 1 1.366 1.227 -1.704 8 2HG MET 1 2HG MET 1 0.996 2.089 -0.223 9 1HE MET 1 1HE MET 1 3.152 1.835 -3.357 10 2HE MET 1 2HE MET 1 3.714 3.495 -3.683 11 3HE MET 1 3HE MET 1 4.487 2.528 -2.416 12 H LEU 2 H LEU 2 1.548 -0.494 -2.376 13 HA LEU 2 HA LEU 2 2.705 -3.212 -2.817 14 1HB LEU 2 1HB LEU 2 -0.094 -2.158 -3.024 15 2HB LEU 2 2HB LEU 2 0.460 -3.124 -4.368 16 HG LEU 2 HG LEU 2 1.088 -4.973 -2.832 17 1HD1 LEU 2 1HD1 LEU 2 1.273 -3.875 -0.677 18 2HD1 LEU 2 2HD1 LEU 2 -0.406 -3.288 -0.775 19 3HD1 LEU 2 3HD1 LEU 2 -0.060 -5.021 -0.597 20 1HD2 LEU 2 1HD2 LEU 2 -0.993 -4.962 -4.141 21 2HD2 LEU 2 2HD2 LEU 2 -1.249 -5.737 -2.572 22 3HD2 LEU 2 3HD2 LEU 2 -1.821 -4.077 -2.845 23 H GLN 3 H GLN 3 2.485 -3.750 -5.224 24 HA GLN 3 HA GLN 3 2.758 -1.589 -7.137 25 1HB GLN 3 1HB GLN 3 5.052 -1.805 -6.346 26 2HB GLN 3 2HB GLN 3 4.981 -3.554 -6.385 27 1HG GLN 3 1HG GLN 3 4.600 -2.231 -9.041 28 2HG GLN 3 2HG GLN 3 6.147 -1.956 -8.272 29 1HE2 GLN 3 2HE2 GLN 3 7.700 -3.374 -8.980 30 2HE2 GLN 3 1HE2 GLN 3 7.386 -5.051 -9.398 31 H TYR 4 H TYR 4 2.170 -2.310 -9.212 32 HA TYR 4 HA TYR 4 1.332 -5.163 -9.384 33 1HB TYR 4 1HB TYR 4 -0.160 -4.621 -11.192 34 2HB TYR 4 2HB TYR 4 -0.595 -3.802 -9.719 35 HD1 TYR 4 HD1 TYR 4 1.600 -2.871 -12.742 36 HD2 TYR 4 HD2 TYR 4 -1.782 -1.898 -10.259 37 HE1 TYR 4 HE1 TYR 4 1.439 -0.684 -13.830 38 HE2 TYR 4 HE2 TYR 4 -1.956 0.293 -11.360 39 HH TYR 4 HH TYR 4 0.361 1.387 -13.880 40 H ARG 5 H ARG 5 1.737 -6.211 -11.335 41 HA ARG 5 HA ARG 5 3.401 -4.768 -13.352 42 1HB ARG 5 1HB ARG 5 3.407 -7.789 -13.130 43 2HB ARG 5 2HB ARG 5 4.425 -6.770 -14.136 44 1HG ARG 5 1HG ARG 5 5.585 -5.954 -12.043 45 2HG ARG 5 2HG ARG 5 4.623 -7.104 -11.106 46 1HD ARG 5 1HD ARG 5 6.603 -7.776 -13.321 47 2HD ARG 5 2HD ARG 5 6.815 -8.061 -11.584 48 HE ARG 5 HE ARG 5 4.427 -9.358 -12.469 49 1HH1 ARG 5 1HH1 ARG 5 7.939 -9.775 -12.828 50 2HH1 ARG 5 2HH1 ARG 5 7.825 -11.470 -13.122 51 1HH2 ARG 5 1HH2 ARG 5 4.261 -11.507 -12.822 52 2HH2 ARG 5 2HH2 ARG 5 5.654 -12.505 -13.125 53 H ILE 6 H ILE 6 2.303 -4.842 -15.399 54 HA ILE 6 HA ILE 6 -0.058 -6.620 -15.642 55 HB ILE 6 HB ILE 6 0.029 -3.595 -15.982 56 1HG1 ILE 6 1HG1 ILE 6 -1.776 -5.317 -14.237 57 2HG1 ILE 6 2HG1 ILE 6 -0.368 -4.436 -13.654 58 1HG2 ILE 6 1HG2 ILE 6 -1.212 -4.517 -17.870 59 2HG2 ILE 6 2HG2 ILE 6 -2.208 -5.512 -16.773 60 3HG2 ILE 6 3HG2 ILE 6 -2.333 -3.739 -16.778 61 1HD1 ILE 6 1HD1 ILE 6 -1.401 -2.306 -14.391 62 2HD1 ILE 6 2HD1 ILE 6 -2.909 -3.205 -14.727 63 3HD1 ILE 6 3HD1 ILE 6 -2.251 -3.156 -13.086 64 H ILE 7 H ILE 7 -0.330 -7.333 -17.739 65 HA ILE 7 HA ILE 7 1.127 -5.963 -19.892 66 HB ILE 7 HB ILE 7 0.863 -8.725 -20.634 67 1HG1 ILE 7 1HG1 ILE 7 1.224 -9.267 -18.184 68 2HG1 ILE 7 2HG1 ILE 7 2.288 -9.997 -19.364 69 1HG2 ILE 7 1HG2 ILE 7 3.193 -8.484 -21.274 70 2HG2 ILE 7 2HG2 ILE 7 2.214 -7.103 -21.769 71 3HG2 ILE 7 3HG2 ILE 7 3.296 -6.946 -20.377 72 1HD1 ILE 7 1HD1 ILE 7 3.090 -7.592 -17.681 73 2HD1 ILE 7 2HD1 ILE 7 3.485 -9.281 -17.324 74 3HD1 ILE 7 3HD1 ILE 7 4.122 -8.520 -18.789 75 H VAL 8 H VAL 8 -0.178 -5.667 -21.680 76 HA VAL 8 HA VAL 8 -2.896 -6.888 -21.644 77 HB VAL 8 HB VAL 8 -3.710 -4.554 -22.263 78 1HG1 VAL 8 1HG1 VAL 8 -2.727 -5.072 -19.444 79 2HG1 VAL 8 2HG1 VAL 8 -3.914 -3.844 -19.909 80 3HG1 VAL 8 3HG1 VAL 8 -4.272 -5.553 -20.173 81 1HG2 VAL 8 1HG2 VAL 8 -2.508 -2.606 -21.483 82 2HG2 VAL 8 2HG2 VAL 8 -1.149 -3.596 -20.915 83 3HG2 VAL 8 3HG2 VAL 8 -1.516 -3.483 -22.651 84 H ASP 9 H ASP 9 -3.998 -6.888 -23.602 85 HA ASP 9 HA ASP 9 -2.598 -6.011 -26.051 86 1HB ASP 9 1HB ASP 9 -2.103 -8.466 -25.706 87 2HB ASP 9 2HB ASP 9 -3.840 -8.773 -25.685 88 H GLY 10 H GLY 10 -4.133 -5.434 -27.688 89 1HA GLY 10 1HA GLY 10 -6.750 -5.738 -28.109 90 2HA GLY 10 2HA GLY 10 -6.767 -4.720 -26.655 91 H ARG 11 H ARG 11 -7.572 -2.894 -27.903 92 HA ARG 11 HA ARG 11 -5.610 -1.648 -29.727 93 1HB ARG 11 1HB ARG 11 -7.970 -1.229 -30.269 94 2HB ARG 11 2HB ARG 11 -8.255 -0.540 -28.676 95 1HG ARG 11 1HG ARG 11 -7.956 1.190 -30.451 96 2HG ARG 11 2HG ARG 11 -6.806 1.349 -29.126 97 1HD ARG 11 1HD ARG 11 -5.717 1.775 -31.245 98 2HD ARG 11 2HD ARG 11 -5.026 0.375 -30.432 99 HE ARG 11 HE ARG 11 -7.031 -0.466 -32.293 100 1HH1 ARG 11 1HH2 ARG 11 -3.749 0.905 -32.179 101 2HH1 ARG 11 2HH2 ARG 11 -3.252 0.201 -33.681 102 1HH2 ARG 11 1HH1 ARG 11 -6.358 -1.417 -34.294 103 2HH2 ARG 11 2HH1 ARG 11 -4.773 -1.140 -34.907 104 H VAL 12 H VAL 12 -3.923 -1.906 -28.164 105 HA VAL 12 HA VAL 12 -4.077 -0.087 -25.815 106 HB VAL 12 HB VAL 12 -2.171 -1.420 -24.955 107 1HG1 VAL 12 1HG1 VAL 12 -4.473 -1.922 -24.287 108 2HG1 VAL 12 2HG1 VAL 12 -4.660 -3.037 -25.652 109 3HG1 VAL 12 3HG1 VAL 12 -3.496 -3.398 -24.365 110 1HG2 VAL 12 1HG2 VAL 12 -1.557 -3.563 -25.905 111 2HG2 VAL 12 2HG2 VAL 12 -2.697 -3.373 -27.246 112 3HG2 VAL 12 3HG2 VAL 12 -1.276 -2.323 -27.127 113 H GLN 13 H GLN 13 -3.088 0.212 -28.967 114 HA GLN 13 HA GLN 13 -1.136 2.277 -28.203 115 1HB GLN 13 1HB GLN 13 -0.713 0.271 -30.463 116 2HB GLN 13 2HB GLN 13 0.337 1.637 -30.097 117 1HG GLN 13 1HG GLN 13 -0.071 -0.672 -28.149 118 2HG GLN 13 2HG GLN 13 1.119 -0.697 -29.431 119 1HE2 GLN 13 2HE2 GLN 13 0.126 1.322 -26.580 120 2HE2 GLN 13 1HE2 GLN 13 1.770 1.813 -26.219 121 H GLY 14 H GLY 14 -1.251 4.081 -29.428 122 1HA GLY 14 1HA GLY 14 -2.200 4.697 -31.889 123 2HA GLY 14 2HA GLY 14 -3.679 4.546 -30.922 124 H VAL 15 H VAL 15 -3.428 7.033 -31.651 125 HA VAL 15 HA VAL 15 -1.434 8.665 -30.567 126 HB VAL 15 HB VAL 15 -4.274 9.457 -31.344 127 1HG1 VAL 15 1HG1 VAL 15 -3.080 11.267 -30.142 128 2HG1 VAL 15 2HG1 VAL 15 -1.692 11.092 -31.238 129 3HG1 VAL 15 3HG1 VAL 15 -3.260 11.661 -31.853 130 1HG2 VAL 15 1HG2 VAL 15 -3.267 9.982 -33.565 131 2HG2 VAL 15 2HG2 VAL 15 -1.744 9.234 -33.039 132 3HG2 VAL 15 3HG2 VAL 15 -3.219 8.258 -33.212 133 H GLY 16 H GLY 16 -0.946 8.675 -28.447 134 1HA GLY 16 1HA GLY 16 -1.088 9.339 -26.262 135 2HA GLY 16 2HA GLY 16 -2.736 9.917 -26.543 136 H PHE 17 H PHE 17 -2.509 6.611 -27.522 137 HA PHE 17 HA PHE 17 -4.368 5.959 -25.426 138 1HB PHE 17 1HB PHE 17 -2.996 4.225 -27.497 139 2HB PHE 17 2HB PHE 17 -4.234 3.652 -26.402 140 HD1 PHE 17 HD1 PHE 17 -5.382 6.920 -27.105 141 HD2 PHE 17 HD2 PHE 17 -4.883 3.065 -28.992 142 HE1 PHE 17 HE1 PHE 17 -7.065 7.522 -28.775 143 HE2 PHE 17 HE2 PHE 17 -6.591 3.707 -30.684 144 HZ PHE 17 HZ PHE 17 -7.669 5.934 -30.589 145 H ARG 18 H ARG 18 -0.847 5.297 -25.726 146 HA ARG 18 HA ARG 18 -0.960 3.921 -23.120 147 1HB ARG 18 1HB ARG 18 1.366 3.641 -23.220 148 2HB ARG 18 2HB ARG 18 0.665 3.181 -24.763 149 1HG ARG 18 1HG ARG 18 1.481 5.310 -25.774 150 2HG ARG 18 2HG ARG 18 2.151 5.794 -24.196 151 1HD ARG 18 1HD ARG 18 3.514 3.708 -24.173 152 2HD ARG 18 2HD ARG 18 2.945 3.328 -25.806 153 HE ARG 18 HE ARG 18 3.947 5.681 -26.353 154 1HH1 ARG 18 1HH2 ARG 18 5.370 3.268 -24.149 155 2HH1 ARG 18 2HH2 ARG 18 7.006 3.807 -24.459 156 1HH2 ARG 18 1HH1 ARG 18 6.171 6.314 -26.720 157 2HH2 ARG 18 2HH1 ARG 18 7.435 5.503 -25.846 158 H TYR 19 H TYR 19 -0.831 7.251 -24.124 159 HA TYR 19 HA TYR 19 0.414 8.209 -21.673 160 1HB TYR 19 1HB TYR 19 0.243 9.553 -23.804 161 2HB TYR 19 2HB TYR 19 -1.492 9.693 -23.522 162 HD1 TYR 19 HD1 TYR 19 1.868 10.600 -22.203 163 HD2 TYR 19 HD2 TYR 19 -2.393 11.210 -21.871 164 HE1 TYR 19 HE1 TYR 19 2.270 12.559 -20.741 165 HE2 TYR 19 HE2 TYR 19 -1.999 13.206 -20.458 166 HH TYR 19 HH TYR 19 -0.411 14.555 -19.410 167 H PHE 20 H PHE 20 -2.924 7.461 -22.792 168 HA PHE 20 HA PHE 20 -4.369 8.494 -20.707 169 1HB PHE 20 1HB PHE 20 -5.721 7.584 -22.350 170 2HB PHE 20 2HB PHE 20 -4.750 6.136 -22.513 171 HD1 PHE 20 HD1 PHE 20 -7.137 7.779 -20.100 172 HD2 PHE 20 HD2 PHE 20 -5.450 4.091 -21.577 173 HE1 PHE 20 HE1 PHE 20 -8.717 6.486 -18.695 174 HE2 PHE 20 HE2 PHE 20 -7.011 2.802 -20.133 175 HZ PHE 20 HZ PHE 20 -8.656 3.999 -18.707 176 H VAL 21 H VAL 21 -2.777 5.207 -20.615 177 HA VAL 21 HA VAL 21 -3.773 4.704 -18.011 178 HB VAL 21 HB VAL 21 -1.971 3.029 -17.874 179 1HG1 VAL 21 1HG1 VAL 21 -3.597 2.936 -20.451 180 2HG1 VAL 21 2HG1 VAL 21 -2.976 1.546 -19.547 181 3HG1 VAL 21 3HG1 VAL 21 -4.227 2.574 -18.833 182 1HG2 VAL 21 1HG2 VAL 21 -0.604 2.399 -19.736 183 2HG2 VAL 21 2HG2 VAL 21 -1.243 3.718 -20.727 184 3HG2 VAL 21 3HG2 VAL 21 -0.221 4.064 -19.306 185 H GLN 22 H GLN 22 -0.910 6.577 -19.083 186 HA GLN 22 HA GLN 22 0.053 6.730 -16.341 187 1HB GLN 22 1HB GLN 22 0.892 8.351 -18.755 188 2HB GLN 22 2HB GLN 22 1.717 8.232 -17.206 189 1HG GLN 22 1HG GLN 22 1.367 6.014 -19.260 190 2HG GLN 22 2HG GLN 22 2.840 6.848 -18.817 191 1HE2 GLN 22 2HE2 GLN 22 4.226 5.512 -17.634 192 2HE2 GLN 22 1HE2 GLN 22 3.675 4.452 -16.356 193 H MET 23 H MET 23 -2.269 8.554 -18.247 194 HA MET 23 HA MET 23 -2.450 10.797 -16.402 195 1HB MET 23 1HB MET 23 -4.745 9.547 -17.968 196 2HB MET 23 2HB MET 23 -4.722 11.111 -17.177 197 1HG MET 23 1HG MET 23 -2.856 11.772 -18.753 198 2HG MET 23 2HG MET 23 -3.207 10.298 -19.663 199 1HE MET 23 1HE MET 23 -7.089 11.036 -20.575 200 2HE MET 23 2HE MET 23 -5.758 9.981 -21.055 201 3HE MET 23 3HE MET 23 -6.332 9.980 -19.364 202 H GLU 24 H GLU 24 -4.184 7.619 -16.653 203 HA GLU 24 HA GLU 24 -5.755 7.960 -14.302 204 1HB GLU 24 1HB GLU 24 -4.732 5.533 -15.864 205 2HB GLU 24 2HB GLU 24 -5.773 5.349 -14.466 206 1HG GLU 24 1HG GLU 24 -6.504 7.019 -16.931 207 2HG GLU 24 2HG GLU 24 -6.948 5.320 -16.691 208 H ALA 25 H ALA 25 -2.493 6.572 -14.805 209 HA ALA 25 HA ALA 25 -2.001 5.675 -12.194 210 1HB ALA 25 1HB ALA 25 0.391 5.885 -12.815 211 2HB ALA 25 2HB ALA 25 -0.537 5.233 -14.181 212 3HB ALA 25 3HB ALA 25 -0.024 6.940 -14.159 213 H ASP 26 H ASP 26 -1.267 8.859 -13.669 214 HA ASP 26 HA ASP 26 -0.166 10.064 -11.326 215 1HB ASP 26 1HB ASP 26 0.144 11.043 -13.543 216 2HB ASP 26 2HB ASP 26 -1.582 11.333 -13.707 217 H LYS 27 H LYS 27 -3.458 10.144 -12.667 218 HA LYS 27 HA LYS 27 -4.715 11.744 -10.726 219 1HB LYS 27 1HB LYS 27 -5.549 11.235 -12.941 220 2HB LYS 27 2HB LYS 27 -5.699 9.528 -12.565 221 1HG LYS 27 1HG LYS 27 -7.259 11.508 -10.910 222 2HG LYS 27 2HG LYS 27 -7.741 11.244 -12.584 223 1HD LYS 27 1HD LYS 27 -7.450 8.975 -10.587 224 2HD LYS 27 2HD LYS 27 -8.969 9.810 -10.894 225 1HE LYS 27 1HE LYS 27 -7.308 8.302 -12.962 226 2HE LYS 27 2HE LYS 27 -8.713 7.665 -12.134 227 1HZ LYS 27 1HZ LYS 27 -10.106 9.269 -13.207 228 2HZ LYS 27 2HZ LYS 27 -8.833 10.049 -13.885 229 3HZ LYS 27 3HZ LYS 27 -9.194 8.530 -14.361 230 H ARG 28 H ARG 28 -3.707 8.387 -10.543 231 HA ARG 28 HA ARG 28 -5.161 8.011 -7.964 232 1HB ARG 28 1HB ARG 28 -4.013 6.062 -10.007 233 2HB ARG 28 2HB ARG 28 -4.684 5.561 -8.453 234 1HG ARG 28 1HG ARG 28 -6.868 6.320 -8.978 235 2HG ARG 28 2HG ARG 28 -6.296 7.199 -10.416 236 1HD ARG 28 1HD ARG 28 -5.571 5.002 -11.374 237 2HD ARG 28 2HD ARG 28 -6.519 4.209 -10.102 238 HE ARG 28 HE ARG 28 -7.435 5.389 -12.565 239 1HH1 ARG 28 1HH2 ARG 28 -8.593 5.267 -9.192 240 2HH1 ARG 28 2HH2 ARG 28 -10.251 5.344 -9.660 241 1HH2 ARG 28 1HH1 ARG 28 -9.473 5.538 -13.134 242 2HH2 ARG 28 2HH1 ARG 28 -10.806 5.413 -11.999 243 H LYS 29 H LYS 29 -2.381 9.371 -8.716 244 HA LYS 29 HA LYS 29 -0.319 9.552 -7.907 245 1HB LYS 29 1HB LYS 29 -1.599 8.620 -5.307 246 2HB LYS 29 2HB LYS 29 -0.055 9.465 -5.459 247 1HG LYS 29 1HG LYS 29 -1.216 11.416 -6.481 248 2HG LYS 29 2HG LYS 29 -2.775 10.600 -6.248 249 1HD LYS 29 1HD LYS 29 -2.380 10.529 -3.802 250 2HD LYS 29 2HD LYS 29 -0.824 11.360 -4.031 251 1HE LYS 29 1HE LYS 29 -2.010 13.293 -5.049 252 2HE LYS 29 2HE LYS 29 -3.557 12.468 -4.823 253 1HZ LYS 29 1HZ LYS 29 -3.175 12.552 -2.426 254 2HZ LYS 29 2HZ LYS 29 -1.744 13.315 -2.637 255 3HZ LYS 29 3HZ LYS 29 -3.133 14.052 -3.057 256 H LEU 30 H LEU 30 -0.802 7.111 -9.239 257 HA LEU 30 HA LEU 30 0.911 5.074 -7.952 258 1HB LEU 30 1HB LEU 30 -0.247 5.282 -10.763 259 2HB LEU 30 2HB LEU 30 0.635 3.903 -10.117 260 HG LEU 30 HG LEU 30 -2.124 4.896 -9.303 261 1HD1 LEU 30 1HD1 LEU 30 -2.806 2.643 -10.073 262 2HD1 LEU 30 2HD1 LEU 30 -2.046 3.574 -11.373 263 3HD1 LEU 30 3HD1 LEU 30 -1.126 2.308 -10.551 264 1HD2 LEU 30 1HD2 LEU 30 -0.396 2.750 -8.042 265 2HD2 LEU 30 2HD2 LEU 30 -1.131 4.171 -7.251 266 3HD2 LEU 30 3HD2 LEU 30 -2.155 2.845 -7.810 267 H ALA 31 H ALA 31 2.973 4.481 -9.042 268 HA ALA 31 HA ALA 31 4.160 6.548 -10.821 269 1HB ALA 31 1HB ALA 31 4.747 7.309 -8.571 270 2HB ALA 31 2HB ALA 31 5.292 5.674 -8.124 271 3HB ALA 31 3HB ALA 31 6.179 6.596 -9.348 272 H GLY 32 H GLY 32 5.212 5.512 -12.470 273 1HA GLY 32 1HA GLY 32 7.049 3.527 -12.453 274 2HA GLY 32 2HA GLY 32 5.543 2.629 -12.379 275 H TRP 33 H TRP 33 6.437 1.815 -14.548 276 HA TRP 33 HA TRP 33 6.503 3.931 -16.615 277 1HB TRP 33 1HB TRP 33 7.952 2.510 -17.890 278 2HB TRP 33 2HB TRP 33 8.584 2.793 -16.290 279 HD1 TRP 33 HD1 TRP 33 6.633 -0.073 -18.090 280 HE1 TRP 33 HE1 TRP 33 7.682 -2.312 -17.446 281 HE3 TRP 33 HE3 TRP 33 10.041 1.620 -14.655 282 HZ2 TRP 33 HZ2 TRP 33 9.838 -3.233 -15.750 283 HZ3 TRP 33 HZ3 TRP 33 11.578 0.030 -13.540 284 HH2 TRP 33 HH2 TRP 33 11.496 -2.395 -14.086 285 H VAL 34 H VAL 34 5.758 3.553 -18.748 286 HA VAL 34 HA VAL 34 4.301 1.006 -19.192 287 HB VAL 34 HB VAL 34 2.621 2.809 -19.061 288 1HG1 VAL 34 1HG1 VAL 34 3.982 4.004 -21.514 289 2HG1 VAL 34 2HG1 VAL 34 2.461 4.536 -20.779 290 3HG1 VAL 34 3HG1 VAL 34 3.984 4.710 -19.889 291 1HG2 VAL 34 1HG2 VAL 34 2.932 1.735 -21.893 292 2HG2 VAL 34 2HG2 VAL 34 2.286 0.826 -20.517 293 3HG2 VAL 34 3HG2 VAL 34 1.438 2.267 -21.100 294 H LYS 35 H LYS 35 4.844 -0.029 -21.127 295 HA LYS 35 HA LYS 35 6.594 1.371 -23.034 296 1HB LYS 35 1HB LYS 35 8.417 -0.143 -22.910 297 2HB LYS 35 2HB LYS 35 8.081 0.364 -21.251 298 1HG LYS 35 1HG LYS 35 6.763 -1.779 -20.967 299 2HG LYS 35 2HG LYS 35 7.380 -2.289 -22.555 300 1HD LYS 35 1HD LYS 35 9.746 -1.822 -21.539 301 2HD LYS 35 2HD LYS 35 8.894 -1.792 -19.978 302 1HE LYS 35 1HE LYS 35 7.852 -4.078 -20.942 303 2HE LYS 35 2HE LYS 35 9.316 -4.066 -21.934 304 1HZ LYS 35 1HZ LYS 35 10.548 -3.860 -19.753 305 2HZ LYS 35 2HZ LYS 35 9.088 -4.115 -18.996 306 3HZ LYS 35 3HZ LYS 35 9.738 -5.273 -19.939 307 H ASN 36 H ASN 36 6.719 0.296 -25.062 308 HA ASN 36 HA ASN 36 4.528 -1.538 -25.769 309 1HB ASN 36 1HB ASN 36 5.339 0.199 -27.362 310 2HB ASN 36 2HB ASN 36 6.959 -0.497 -27.313 311 1HD2 ASN 36 2HD2 ASN 36 3.696 -0.860 -28.566 312 2HD2 ASN 36 1HD2 ASN 36 4.023 -2.252 -29.586 313 H ARG 37 H ARG 37 4.764 -3.772 -25.571 314 HA ARG 37 HA ARG 37 7.416 -4.872 -24.844 315 1HB ARG 37 1HB ARG 37 5.169 -5.563 -23.711 316 2HB ARG 37 2HB ARG 37 4.826 -6.433 -25.216 317 1HG ARG 37 1HG ARG 37 6.933 -7.747 -24.916 318 2HG ARG 37 2HG ARG 37 7.303 -6.797 -23.474 319 1HD ARG 37 1HD ARG 37 6.451 -8.742 -22.576 320 2HD ARG 37 2HD ARG 37 5.049 -7.659 -22.520 321 HE ARG 37 HE ARG 37 4.823 -8.966 -24.957 322 1HH1 ARG 37 1HH2 ARG 37 5.099 -10.090 -21.587 323 2HH1 ARG 37 2HH2 ARG 37 4.216 -11.545 -21.855 324 1HH2 ARG 37 1HH1 ARG 37 3.768 -10.960 -25.339 325 2HH2 ARG 37 2HH1 ARG 37 3.411 -12.032 -24.023 326 H ASP 38 H ASP 38 8.630 -5.906 -26.414 327 HA ASP 38 HA ASP 38 8.314 -5.059 -29.015 328 1HB ASP 38 1HB ASP 38 10.444 -5.737 -28.036 329 2HB ASP 38 2HB ASP 38 9.914 -7.420 -27.965 330 H ASP 39 H ASP 39 7.037 -8.042 -27.633 331 HA ASP 39 HA ASP 39 6.542 -9.390 -30.126 332 1HB ASP 39 1HB ASP 39 5.606 -11.069 -28.872 333 2HB ASP 39 2HB ASP 39 6.748 -10.380 -27.723 334 H GLY 40 H GLY 40 4.878 -6.801 -28.493 335 1HA GLY 40 1HA GLY 40 3.396 -5.629 -30.110 336 2HA GLY 40 2HA GLY 40 2.484 -7.137 -30.251 337 H ARG 41 H ARG 41 3.196 -7.365 -27.100 338 HA ARG 41 HA ARG 41 0.626 -6.255 -26.219 339 1HB ARG 41 1HB ARG 41 2.931 -7.720 -24.912 340 2HB ARG 41 2HB ARG 41 1.829 -6.822 -23.906 341 1HG ARG 41 1HG ARG 41 1.168 -9.068 -23.872 342 2HG ARG 41 2HG ARG 41 -0.085 -8.144 -24.677 343 1HD ARG 41 1HD ARG 41 2.044 -9.716 -26.143 344 2HD ARG 41 2HD ARG 41 0.501 -10.427 -25.663 345 HE ARG 41 HE ARG 41 -0.461 -8.398 -27.042 346 1HH1 ARG 41 1HH2 ARG 41 2.385 -10.352 -27.965 347 2HH1 ARG 41 2HH2 ARG 41 2.228 -9.969 -29.644 348 1HH2 ARG 41 1HH1 ARG 41 -0.792 -8.121 -29.190 349 2HH2 ARG 41 2HH1 ARG 41 0.269 -8.806 -30.400 350 H VAL 42 H VAL 42 0.705 -4.880 -24.126 351 HA VAL 42 HA VAL 42 2.967 -2.931 -24.124 352 HB VAL 42 HB VAL 42 -0.005 -2.446 -23.738 353 1HG1 VAL 42 1HG1 VAL 42 2.252 -0.603 -22.863 354 2HG1 VAL 42 2HG1 VAL 42 0.533 -0.156 -22.968 355 3HG1 VAL 42 3HG1 VAL 42 1.054 -1.385 -21.810 356 1HG2 VAL 42 1HG2 VAL 42 0.331 -0.691 -25.354 357 2HG2 VAL 42 2HG2 VAL 42 2.084 -1.002 -25.401 358 3HG2 VAL 42 3HG2 VAL 42 0.938 -2.209 -26.023 359 H GLU 43 H GLU 43 3.774 -2.555 -22.044 360 HA GLU 43 HA GLU 43 2.714 -4.305 -19.875 361 1HB GLU 43 1HB GLU 43 4.928 -5.112 -20.736 362 2HB GLU 43 2HB GLU 43 5.588 -3.504 -20.446 363 1HG GLU 43 1HG GLU 43 4.955 -3.820 -17.970 364 2HG GLU 43 2HG GLU 43 4.618 -5.504 -18.372 365 H ILE 44 H ILE 44 2.508 -3.297 -17.905 366 HA ILE 44 HA ILE 44 3.199 -0.442 -17.646 367 HB ILE 44 HB ILE 44 0.613 -1.550 -16.584 368 1HG1 ILE 44 1HG1 ILE 44 0.797 -0.510 -19.432 369 2HG1 ILE 44 2HG1 ILE 44 0.397 -2.162 -18.952 370 1HG2 ILE 44 1HG2 ILE 44 1.311 1.238 -17.594 371 2HG2 ILE 44 2HG2 ILE 44 -0.039 0.775 -16.535 372 3HG2 ILE 44 3HG2 ILE 44 1.612 0.697 -15.935 373 1HD1 ILE 44 1HD1 ILE 44 -1.638 -1.051 -19.518 374 2HD1 ILE 44 2HD1 ILE 44 -1.628 -1.306 -17.760 375 3HD1 ILE 44 3HD1 ILE 44 -1.285 0.305 -18.440 376 H LEU 45 H LEU 45 4.113 -0.135 -15.551 377 HA LEU 45 HA LEU 45 3.709 -2.247 -13.494 378 1HB LEU 45 1HB LEU 45 5.495 -3.044 -15.001 379 2HB LEU 45 2HB LEU 45 6.417 -1.573 -14.725 380 HG LEU 45 HG LEU 45 5.618 -3.372 -12.409 381 1HD1 LEU 45 1HD1 LEU 45 7.758 -4.565 -12.674 382 2HD1 LEU 45 2HD1 LEU 45 6.699 -4.814 -14.071 383 3HD1 LEU 45 3HD1 LEU 45 8.059 -3.683 -14.188 384 1HD2 LEU 45 1HD2 LEU 45 7.770 -2.516 -11.464 385 2HD2 LEU 45 2HD2 LEU 45 7.928 -1.428 -12.860 386 3HD2 LEU 45 3HD2 LEU 45 6.595 -1.232 -11.706 387 H ALA 46 H ALA 46 3.311 -1.087 -11.622 388 HA ALA 46 HA ALA 46 4.858 1.323 -11.049 389 1HB ALA 46 1HB ALA 46 1.824 1.411 -11.432 390 2HB ALA 46 2HB ALA 46 2.818 2.747 -10.856 391 3HB ALA 46 3HB ALA 46 3.009 2.172 -12.525 392 H GLU 47 H GLU 47 4.656 2.089 -8.962 393 HA GLU 47 HA GLU 47 3.599 0.179 -6.976 394 1HB GLU 47 1HB GLU 47 4.865 1.337 -5.341 395 2HB GLU 47 2HB GLU 47 5.909 0.891 -6.686 396 1HG GLU 47 1HG GLU 47 5.848 3.226 -7.515 397 2HG GLU 47 2HG GLU 47 4.756 3.680 -6.201 398 H GLY 48 H GLY 48 2.230 0.967 -5.224 399 1HA GLY 48 1HA GLY 48 1.344 3.515 -4.748 400 2HA GLY 48 2HA GLY 48 0.220 2.908 -5.962 401 HA PRO 49 HA PRO 49 -1.099 1.227 -1.793 402 1HB PRO 49 1HB PRO 49 -3.431 2.622 -1.418 403 2HB PRO 49 2HB PRO 49 -1.833 3.185 -0.845 404 1HG PRO 49 1HG PRO 49 -3.335 4.021 -3.314 405 2HG PRO 49 2HG PRO 49 -2.425 5.046 -2.171 406 1HD PRO 49 1HD PRO 49 -1.396 4.165 -4.589 407 2HD PRO 49 2HD PRO 49 -0.376 4.502 -3.157 408 H GLU 50 H GLU 50 -2.836 -0.299 -1.564 409 HA GLU 50 HA GLU 50 -3.210 -1.795 -3.856 410 1HB GLU 50 1HB GLU 50 -3.327 -2.629 -1.532 411 2HB GLU 50 2HB GLU 50 -4.885 -1.826 -1.310 412 1HG GLU 50 1HG GLU 50 -5.867 -3.249 -3.107 413 2HG GLU 50 2HG GLU 50 -4.301 -4.029 -3.344 414 H ASN 51 H ASN 51 -5.674 0.364 -2.324 415 HA ASN 51 HA ASN 51 -7.740 -0.305 -4.163 416 1HB ASN 51 1HB ASN 51 -8.191 0.805 -2.011 417 2HB ASN 51 2HB ASN 51 -7.335 2.254 -2.548 418 1HD2 ASN 51 2HD2 ASN 51 -8.590 3.843 -3.584 419 2HD2 ASN 51 1HD2 ASN 51 -10.173 3.550 -4.252 420 H ALA 52 H ALA 52 -5.184 2.175 -4.358 421 HA ALA 52 HA ALA 52 -6.222 3.573 -6.681 422 1HB ALA 52 1HB ALA 52 -3.406 3.270 -5.530 423 2HB ALA 52 2HB ALA 52 -3.847 4.353 -6.844 424 3HB ALA 52 3HB ALA 52 -4.548 4.608 -5.238 425 H LEU 53 H LEU 53 -3.892 0.880 -6.166 426 HA LEU 53 HA LEU 53 -3.234 0.489 -8.906 427 1HB LEU 53 1HB LEU 53 -3.214 -1.408 -6.530 428 2HB LEU 53 2HB LEU 53 -2.548 -1.832 -8.095 429 HG LEU 53 HG LEU 53 -1.564 0.560 -6.478 430 1HD1 LEU 53 1HD1 LEU 53 -0.541 -2.311 -6.566 431 2HD1 LEU 53 2HD1 LEU 53 0.326 -0.936 -5.847 432 3HD1 LEU 53 3HD1 LEU 53 -1.221 -1.448 -5.164 433 1HD2 LEU 53 1HD2 LEU 53 -0.977 0.533 -8.936 434 2HD2 LEU 53 2HD2 LEU 53 0.410 0.478 -7.844 435 3HD2 LEU 53 3HD2 LEU 53 -0.119 -1.000 -8.644 436 H GLN 54 H GLN 54 -5.719 -1.119 -6.866 437 HA GLN 54 HA GLN 54 -6.653 -2.749 -9.009 438 1HB GLN 54 1HB GLN 54 -8.138 -1.907 -6.479 439 2HB GLN 54 2HB GLN 54 -8.653 -3.160 -7.610 440 1HG GLN 54 1HG GLN 54 -6.393 -3.239 -5.628 441 2HG GLN 54 2HG GLN 54 -7.686 -4.381 -5.878 442 1HE2 GLN 54 2HE2 GLN 54 -4.405 -3.683 -6.536 443 2HE2 GLN 54 1HE2 GLN 54 -4.110 -4.854 -7.809 444 H SER 55 H SER 55 -7.756 0.456 -7.880 445 HA SER 55 HA SER 55 -9.994 0.544 -9.674 446 1HB SER 55 1HB SER 55 -8.426 2.886 -8.536 447 2HB SER 55 2HB SER 55 -10.085 2.898 -9.184 448 HG SER 55 HG SER 55 -9.091 1.671 -6.837 449 H PHE 56 H PHE 56 -6.547 1.500 -10.066 450 HA PHE 56 HA PHE 56 -6.765 2.507 -12.717 451 1HB PHE 56 1HB PHE 56 -4.750 2.874 -11.478 452 2HB PHE 56 2HB PHE 56 -4.521 1.164 -11.172 453 HD1 PHE 56 HD1 PHE 56 -3.867 -0.405 -12.980 454 HD2 PHE 56 HD2 PHE 56 -3.949 3.887 -13.589 455 HE1 PHE 56 HE1 PHE 56 -2.703 -0.680 -15.145 456 HE2 PHE 56 HE2 PHE 56 -2.826 3.552 -15.755 457 HZ PHE 56 HZ PHE 56 -2.221 1.290 -16.549 458 H VAL 57 H VAL 57 -6.234 -0.913 -11.506 459 HA VAL 57 HA VAL 57 -6.107 -2.044 -14.085 460 HB VAL 57 HB VAL 57 -7.054 -3.213 -11.436 461 1HG1 VAL 57 1HG1 VAL 57 -6.713 -5.458 -12.458 462 2HG1 VAL 57 2HG1 VAL 57 -8.079 -4.594 -13.161 463 3HG1 VAL 57 3HG1 VAL 57 -6.543 -4.690 -14.053 464 1HG2 VAL 57 1HG2 VAL 57 -4.885 -4.254 -11.347 465 2HG2 VAL 57 2HG2 VAL 57 -4.502 -3.733 -13.001 466 3HG2 VAL 57 3HG2 VAL 57 -4.604 -2.547 -11.689 467 H GLU 58 H GLU 58 -9.044 -1.336 -12.072 468 HA GLU 58 HA GLU 58 -10.886 -2.348 -13.969 469 1HB GLU 58 1HB GLU 58 -11.218 -0.094 -11.947 470 2HB GLU 58 2HB GLU 58 -12.530 -0.791 -12.902 471 1HG GLU 58 1HG GLU 58 -11.991 -3.043 -11.941 472 2HG GLU 58 2HG GLU 58 -10.799 -2.278 -10.893 473 H ALA 59 H ALA 59 -9.372 0.867 -13.732 474 HA ALA 59 HA ALA 59 -10.788 2.123 -15.868 475 1HB ALA 59 1HB ALA 59 -9.029 3.762 -15.827 476 2HB ALA 59 2HB ALA 59 -9.327 3.259 -14.146 477 3HB ALA 59 3HB ALA 59 -7.908 2.662 -15.015 478 H VAL 60 H VAL 60 -7.807 0.085 -15.925 479 HA VAL 60 HA VAL 60 -7.430 0.341 -18.770 480 HB VAL 60 HB VAL 60 -6.560 -1.964 -16.937 481 1HG1 VAL 60 1HG1 VAL 60 -6.428 -2.581 -19.294 482 2HG1 VAL 60 2HG1 VAL 60 -5.549 -1.079 -19.671 483 3HG1 VAL 60 3HG1 VAL 60 -4.814 -2.313 -18.624 484 1HG2 VAL 60 1HG2 VAL 60 -5.578 0.163 -16.127 485 2HG2 VAL 60 2HG2 VAL 60 -4.355 -0.811 -16.915 486 3HG2 VAL 60 3HG2 VAL 60 -5.066 0.580 -17.766 487 H LYS 61 H LYS 61 -8.984 -2.256 -16.760 488 HA LYS 61 HA LYS 61 -9.691 -3.908 -18.924 489 1HB LYS 61 1HB LYS 61 -10.974 -3.590 -16.179 490 2HB LYS 61 2HB LYS 61 -11.414 -4.856 -17.338 491 1HG LYS 61 1HG LYS 61 -9.164 -5.752 -17.334 492 2HG LYS 61 2HG LYS 61 -8.593 -4.465 -16.277 493 1HD LYS 61 1HD LYS 61 -8.897 -6.446 -14.958 494 2HD LYS 61 2HD LYS 61 -10.125 -5.261 -14.482 495 1HE LYS 61 1HE LYS 61 -11.807 -6.445 -15.884 496 2HE LYS 61 2HE LYS 61 -10.572 -7.601 -16.398 497 1HZ LYS 61 1HZ LYS 61 -10.387 -8.329 -14.089 498 2HZ LYS 61 2HZ LYS 61 -11.526 -7.255 -13.611 499 3HZ LYS 61 3HZ LYS 61 -11.923 -8.481 -14.605 500 H ASN 62 H ASN 62 -11.535 -1.208 -17.473 501 HA ASN 62 HA ASN 62 -13.941 -1.670 -18.923 502 1HB ASN 62 1HB ASN 62 -13.753 -0.243 -16.892 503 2HB ASN 62 2HB ASN 62 -12.822 0.938 -17.816 504 1HD2 ASN 62 2HD2 ASN 62 -14.056 2.626 -18.609 505 2HD2 ASN 62 1HD2 ASN 62 -15.771 2.529 -18.973 506 H GLY 63 H GLY 63 -10.869 -0.285 -19.989 507 1HA GLY 63 1HA GLY 63 -10.235 0.783 -21.888 508 2HA GLY 63 2HA GLY 63 -11.579 -0.053 -22.695 509 H SER 64 H SER 64 -11.600 2.443 -20.094 510 HA SER 64 HA SER 64 -13.952 3.567 -20.780 511 1HB SER 64 1HB SER 64 -11.694 5.145 -19.514 512 2HB SER 64 2HB SER 64 -13.433 5.291 -19.229 513 HG SER 64 HG SER 64 -12.238 4.077 -17.619 514 HA PRO 65 HA PRO 65 -12.216 7.242 -23.134 515 1HB PRO 65 1HB PRO 65 -9.743 7.307 -24.315 516 2HB PRO 65 2HB PRO 65 -10.037 7.720 -22.600 517 1HG PRO 65 1HG PRO 65 -9.078 5.075 -23.731 518 2HG PRO 65 2HG PRO 65 -8.411 6.004 -22.369 519 1HD PRO 65 1HD PRO 65 -10.121 3.923 -21.992 520 2HD PRO 65 2HD PRO 65 -10.189 5.357 -20.941 521 H PHE 66 H PHE 66 -10.516 4.534 -24.802 522 HA PHE 66 HA PHE 66 -12.409 4.151 -26.883 523 1HB PHE 66 1HB PHE 66 -11.549 6.358 -27.700 524 2HB PHE 66 2HB PHE 66 -9.907 5.745 -27.643 525 HD1 PHE 66 HD1 PHE 66 -13.108 5.717 -29.468 526 HD2 PHE 66 HD2 PHE 66 -9.134 4.043 -29.308 527 HE1 PHE 66 HE1 PHE 66 -13.363 4.878 -31.791 528 HE2 PHE 66 HE2 PHE 66 -9.392 3.212 -31.632 529 HZ PHE 66 HZ PHE 66 -11.506 3.626 -32.878 530 H SER 67 H SER 67 -8.875 4.195 -26.061 531 HA SER 67 HA SER 67 -8.170 1.689 -27.175 532 1HB SER 67 1HB SER 67 -6.471 1.943 -25.115 533 2HB SER 67 2HB SER 67 -6.330 2.873 -26.608 534 HG SER 67 HG SER 67 -6.195 4.115 -24.607 535 H LYS 68 H LYS 68 -7.930 -0.350 -26.098 536 HA LYS 68 HA LYS 68 -9.583 -0.897 -23.753 537 1HB LYS 68 1HB LYS 68 -11.309 -2.140 -24.894 538 2HB LYS 68 2HB LYS 68 -11.243 -0.546 -25.638 539 1HG LYS 68 1HG LYS 68 -9.722 -1.639 -27.440 540 2HG LYS 68 2HG LYS 68 -10.212 -3.193 -26.746 541 1HD LYS 68 1HD LYS 68 -12.606 -2.553 -27.162 542 2HD LYS 68 2HD LYS 68 -12.018 -1.063 -27.951 543 1HE LYS 68 1HE LYS 68 -10.760 -2.427 -29.595 544 2HE LYS 68 2HE LYS 68 -11.328 -3.909 -28.813 545 1HZ LYS 68 1HZ LYS 68 -13.072 -1.912 -30.141 546 2HZ LYS 68 2HZ LYS 68 -12.658 -3.364 -30.750 547 3HZ LYS 68 3HZ LYS 68 -13.594 -3.284 -29.420 548 H VAL 69 H VAL 69 -9.604 -3.280 -23.320 549 HA VAL 69 HA VAL 69 -7.243 -4.619 -24.542 550 HB VAL 69 HB VAL 69 -6.870 -5.756 -22.447 551 1HG1 VAL 69 1HG1 VAL 69 -5.739 -3.597 -22.951 552 2HG1 VAL 69 2HG1 VAL 69 -6.982 -2.736 -22.016 553 3HG1 VAL 69 3HG1 VAL 69 -5.918 -3.902 -21.216 554 1HG2 VAL 69 1HG2 VAL 69 -7.927 -5.056 -20.342 555 2HG2 VAL 69 2HG2 VAL 69 -9.043 -3.995 -21.229 556 3HG2 VAL 69 3HG2 VAL 69 -9.117 -5.761 -21.441 557 H THR 70 H THR 70 -7.459 -6.747 -25.093 558 HA THR 70 HA THR 70 -10.121 -8.042 -24.781 559 HB THR 70 HB THR 70 -9.504 -9.211 -26.943 560 HG1 THR 70 HG1 THR 70 -7.888 -8.385 -28.158 561 1HG2 THR 70 1HG2 THR 70 -11.129 -7.311 -26.865 562 2HG2 THR 70 2HG2 THR 70 -9.797 -6.172 -27.153 563 3HG2 THR 70 3HG2 THR 70 -10.229 -7.373 -28.389 564 H ASP 71 H ASP 71 -6.795 -8.038 -23.947 565 HA ASP 71 HA ASP 71 -7.250 -10.439 -22.376 566 1HB ASP 71 1HB ASP 71 -6.161 -11.440 -24.341 567 2HB ASP 71 2HB ASP 71 -4.897 -10.208 -24.299 568 H ILE 72 H ILE 72 -6.078 -10.266 -20.432 569 HA ILE 72 HA ILE 72 -4.095 -8.174 -20.071 570 HB ILE 72 HB ILE 72 -6.083 -6.875 -19.730 571 1HG1 ILE 72 1HG1 ILE 72 -5.047 -7.559 -16.951 572 2HG1 ILE 72 2HG1 ILE 72 -4.101 -6.671 -18.132 573 1HG2 ILE 72 1HG2 ILE 72 -7.757 -8.642 -19.303 574 2HG2 ILE 72 2HG2 ILE 72 -7.077 -8.892 -17.680 575 3HG2 ILE 72 3HG2 ILE 72 -7.846 -7.356 -18.114 576 1HD1 ILE 72 1HD1 ILE 72 -5.966 -4.924 -18.212 577 2HD1 ILE 72 2HD1 ILE 72 -6.708 -5.784 -16.846 578 3HD1 ILE 72 3HD1 ILE 72 -5.111 -5.055 -16.669 579 H SER 73 H SER 73 -2.684 -8.741 -18.462 580 HA SER 73 HA SER 73 -3.287 -11.042 -16.684 581 1HB SER 73 1HB SER 73 -0.748 -10.645 -18.337 582 2HB SER 73 2HB SER 73 -1.019 -11.917 -17.133 583 HG SER 73 HG SER 73 -1.389 -12.644 -19.276 584 H VAL 74 H VAL 74 -2.269 -10.796 -14.646 585 HA VAL 74 HA VAL 74 -0.929 -8.205 -14.137 586 HB VAL 74 HB VAL 74 -3.393 -9.224 -12.659 587 1HG1 VAL 74 1HG1 VAL 74 -1.824 -6.622 -12.400 588 2HG1 VAL 74 2HG1 VAL 74 -3.409 -6.917 -11.660 589 3HG1 VAL 74 3HG1 VAL 74 -2.026 -7.886 -11.174 590 1HG2 VAL 74 1HG2 VAL 74 -3.193 -7.008 -14.739 591 2HG2 VAL 74 2HG2 VAL 74 -4.180 -8.483 -14.813 592 3HG2 VAL 74 3HG2 VAL 74 -4.572 -7.232 -13.642 593 H THR 75 H THR 75 0.337 -8.197 -12.294 594 HA THR 75 HA THR 75 0.408 -10.555 -10.508 595 HB THR 75 HB THR 75 2.898 -8.943 -11.101 596 HG1 THR 75 HG1 THR 75 1.946 -10.127 -13.034 597 1HG2 THR 75 1HG2 THR 75 4.073 -10.989 -10.358 598 2HG2 THR 75 2HG2 THR 75 2.957 -10.405 -9.123 599 3HG2 THR 75 3HG2 THR 75 2.510 -11.803 -10.128 600 H GLU 76 H GLU 76 0.907 -9.792 -8.280 601 HA GLU 76 HA GLU 76 0.924 -6.858 -7.870 602 1HB GLU 76 1HB GLU 76 -0.797 -8.939 -6.425 603 2HB GLU 76 2HB GLU 76 -0.573 -7.297 -5.851 604 1HG GLU 76 1HG GLU 76 -1.858 -8.052 -8.519 605 2HG GLU 76 2HG GLU 76 -2.735 -7.748 -7.029 606 H SER 77 H SER 77 2.351 -6.350 -6.100 607 HA SER 77 HA SER 77 3.370 -8.436 -4.322 608 1HB SER 77 1HB SER 77 5.159 -7.092 -6.411 609 2HB SER 77 2HB SER 77 5.745 -8.063 -5.047 610 HG SER 77 HG SER 77 3.815 -9.330 -6.484 611 H ARG 78 H ARG 78 5.087 -7.400 -2.832 612 HA ARG 78 HA ARG 78 4.356 -4.591 -2.179 613 1HB ARG 78 1HB ARG 78 5.818 -6.827 -0.727 614 2HB ARG 78 2HB ARG 78 5.961 -5.161 -0.198 615 1HG ARG 78 1HG ARG 78 4.270 -6.321 1.098 616 2HG ARG 78 2HG ARG 78 3.617 -4.944 0.227 617 1HD ARG 78 1HD ARG 78 2.048 -6.807 0.225 618 2HD ARG 78 2HD ARG 78 2.563 -6.409 -1.415 619 HE ARG 78 HE ARG 78 4.127 -8.520 -0.124 620 1HH1 ARG 78 1HH2 ARG 78 1.148 -7.928 -1.959 621 2HH1 ARG 78 2HH2 ARG 78 1.083 -9.509 -2.640 622 1HH2 ARG 78 1HH1 ARG 78 4.038 -10.634 -1.025 623 2HH2 ARG 78 2HH1 ARG 78 2.756 -11.085 -2.080 624 H SER 79 H SER 79 6.372 -5.930 -4.368 625 HA SER 79 HA SER 79 8.891 -4.788 -3.861 626 1HB SER 79 1HB SER 79 7.702 -5.656 -6.524 627 2HB SER 79 2HB SER 79 9.412 -5.622 -6.053 628 HG SER 79 HG SER 79 8.584 -7.721 -5.878 629 H LEU 80 H LEU 80 8.031 -2.550 -3.273 630 HA LEU 80 HA LEU 80 7.191 -0.667 -5.225 631 1HB LEU 80 1HB LEU 80 8.725 -0.539 -2.620 632 2HB LEU 80 2HB LEU 80 8.742 0.876 -3.661 633 HG LEU 80 HG LEU 80 6.378 1.142 -3.589 634 1HD1 LEU 80 1HD1 LEU 80 4.852 -0.249 -2.319 635 2HD1 LEU 80 2HD1 LEU 80 5.616 -1.221 -3.552 636 3HD1 LEU 80 3HD1 LEU 80 6.165 -1.357 -1.864 637 1HD2 LEU 80 1HD2 LEU 80 6.094 1.594 -1.161 638 2HD2 LEU 80 2HD2 LEU 80 7.492 0.563 -0.808 639 3HD2 LEU 80 3HD2 LEU 80 7.698 2.067 -1.730 640 H GLU 81 H GLU 81 8.253 0.614 -6.689 641 HA GLU 81 HA GLU 81 10.826 -0.350 -7.696 642 1HB GLU 81 1HB GLU 81 8.993 1.937 -8.576 643 2HB GLU 81 2HB GLU 81 10.422 1.375 -9.444 644 1HG GLU 81 1HG GLU 81 7.847 -0.175 -8.965 645 2HG GLU 81 2HG GLU 81 8.448 0.452 -10.495 646 H GLY 82 H GLY 82 9.624 2.272 -5.691 647 1HA GLY 82 1HA GLY 82 10.807 3.853 -4.451 648 2HA GLY 82 2HA GLY 82 12.338 3.360 -5.210 649 H HIS 83 H HIS 83 9.107 4.322 -6.531 650 HA HIS 83 HA HIS 83 10.426 6.479 -8.139 651 1HB HIS 83 1HB HIS 83 8.389 4.401 -9.043 652 2HB HIS 83 2HB HIS 83 8.752 5.868 -9.939 653 HD1 HIS 83 HD1 HIS 83 12.015 4.705 -8.699 654 HD2 HIS 83 HD2 HIS 83 9.327 3.724 -11.789 655 HE1 HIS 83 HE1 HIS 83 13.365 3.441 -10.454 656 H HIS 84 H HIS 84 9.063 8.232 -8.692 657 HA HIS 84 HA HIS 84 6.708 8.612 -6.900 658 1HB HIS 84 1HB HIS 84 9.004 10.564 -7.314 659 2HB HIS 84 2HB HIS 84 7.646 10.742 -6.206 660 HD1 HIS 84 HD1 HIS 84 11.145 9.485 -6.234 661 HD2 HIS 84 HD2 HIS 84 7.557 8.714 -4.167 662 HE1 HIS 84 HE1 HIS 84 11.792 8.210 -4.131 663 H ARG 85 H ARG 85 7.353 8.404 -10.048 664 HA ARG 85 HA ARG 85 5.253 10.255 -10.813 665 1HB ARG 85 1HB ARG 85 6.543 11.282 -12.651 666 2HB ARG 85 2HB ARG 85 7.174 11.741 -11.075 667 1HG ARG 85 1HG ARG 85 9.055 10.141 -11.328 668 2HG ARG 85 2HG ARG 85 8.382 9.570 -12.858 669 1HD ARG 85 1HD ARG 85 10.172 11.093 -13.341 670 2HD ARG 85 2HD ARG 85 8.640 11.845 -13.819 671 HE ARG 85 HE ARG 85 9.390 12.573 -11.128 672 1HH1 ARG 85 1HH2 ARG 85 10.172 13.301 -14.512 673 2HH1 ARG 85 2HH2 ARG 85 10.732 14.900 -14.190 674 1HH2 ARG 85 1HH1 ARG 85 10.127 14.709 -10.694 675 2HH2 ARG 85 2HH1 ARG 85 10.708 15.712 -11.966 676 H PHE 86 H PHE 86 4.696 9.781 -13.206 677 HA PHE 86 HA PHE 86 5.003 6.910 -13.746 678 1HB PHE 86 1HB PHE 86 3.586 7.309 -15.669 679 2HB PHE 86 2HB PHE 86 2.842 7.875 -14.196 680 HD1 PHE 86 HD1 PHE 86 2.063 10.091 -14.020 681 HD2 PHE 86 HD2 PHE 86 4.644 9.017 -17.298 682 HE1 PHE 86 HE1 PHE 86 1.592 12.280 -15.116 683 HE2 PHE 86 HE2 PHE 86 4.163 11.186 -18.394 684 HZ PHE 86 HZ PHE 86 2.637 12.824 -17.306 685 H SER 87 H SER 87 5.846 6.206 -15.854 686 HA SER 87 HA SER 87 7.770 8.038 -17.191 687 1HB SER 87 1HB SER 87 8.392 5.188 -16.307 688 2HB SER 87 2HB SER 87 9.481 6.300 -17.151 689 HG SER 87 HG SER 87 9.891 6.237 -14.907 690 H ILE 88 H ILE 88 8.252 7.402 -19.382 691 HA ILE 88 HA ILE 88 6.455 5.374 -20.595 692 HB ILE 88 HB ILE 88 6.811 8.236 -21.613 693 1HG1 ILE 88 1HG1 ILE 88 4.415 6.894 -20.316 694 2HG1 ILE 88 2HG1 ILE 88 5.336 8.241 -19.649 695 1HG2 ILE 88 1HG2 ILE 88 6.577 6.475 -23.367 696 2HG2 ILE 88 2HG2 ILE 88 5.047 5.954 -22.614 697 3HG2 ILE 88 3HG2 ILE 88 5.203 7.567 -23.351 698 1HD1 ILE 88 1HD1 ILE 88 3.485 8.328 -22.052 699 2HD1 ILE 88 2HD1 ILE 88 3.281 9.107 -20.479 700 3HD1 ILE 88 3HD1 ILE 88 4.569 9.661 -21.569 701 H VAL 89 H VAL 89 7.816 3.986 -21.574 702 HA VAL 89 HA VAL 89 10.618 4.711 -21.917 703 HB VAL 89 HB VAL 89 9.056 2.183 -22.567 704 1HG1 VAL 89 1HG1 VAL 89 12.072 2.601 -22.408 705 2HG1 VAL 89 2HG1 VAL 89 11.259 1.026 -22.513 706 3HG1 VAL 89 3HG1 VAL 89 11.131 2.155 -23.856 707 1HG2 VAL 89 1HG2 VAL 89 9.010 2.656 -20.157 708 2HG2 VAL 89 2HG2 VAL 89 10.129 1.326 -20.453 709 3HG2 VAL 89 3HG2 VAL 89 10.763 2.954 -20.151 710 H TYR 90 H TYR 90 11.736 5.003 -23.857 711 HA TYR 90 HA TYR 90 10.238 4.834 -26.426 712 1HB TYR 90 1HB TYR 90 11.990 7.123 -25.448 713 2HB TYR 90 2HB TYR 90 11.503 6.918 -27.117 714 HD1 TYR 90 HD1 TYR 90 9.214 7.304 -27.882 715 HD2 TYR 90 HD2 TYR 90 10.342 7.895 -23.760 716 HE1 TYR 90 HE1 TYR 90 7.157 8.638 -27.513 717 HE2 TYR 90 HE2 TYR 90 8.287 9.206 -23.372 718 HH TYR 90 HH TYR 90 6.345 10.093 -24.327 719 H SER 91 H SER 91 12.674 3.476 -24.705 720 HA SER 91 HA SER 91 14.975 3.539 -26.288 721 1HB SER 91 1HB SER 91 13.902 1.170 -24.708 722 2HB SER 91 2HB SER 91 15.590 1.541 -25.090 723 HG SER 91 HG SER 91 15.057 2.200 -22.953 Start of MODEL 20 1 1H MET 1 1H MET 1 4.027 -0.851 1.543 2 2H MET 1 2H MET 1 2.795 -0.081 2.316 3 3H MET 1 3H MET 1 2.616 -1.625 1.791 4 HA MET 1 HA MET 1 1.442 -0.147 0.354 5 1HB MET 1 1HB MET 1 3.400 1.673 0.844 6 2HB MET 1 2HB MET 1 3.978 1.042 -0.699 7 1HG MET 1 1HG MET 1 1.583 1.430 -1.549 8 2HG MET 1 2HG MET 1 1.280 2.289 -0.052 9 1HE MET 1 1HE MET 1 4.767 2.618 -2.247 10 2HE MET 1 2HE MET 1 3.415 1.966 -3.200 11 3HE MET 1 3HE MET 1 4.031 3.609 -3.519 12 H LEU 2 H LEU 2 1.719 -0.337 -2.278 13 HA LEU 2 HA LEU 2 2.618 -3.158 -2.630 14 1HB LEU 2 1HB LEU 2 -0.046 -1.825 -2.656 15 2HB LEU 2 2HB LEU 2 0.266 -2.828 -4.054 16 HG LEU 2 HG LEU 2 0.747 -4.756 -2.715 17 1HD1 LEU 2 1HD1 LEU 2 0.160 -2.997 -0.308 18 2HD1 LEU 2 2HD1 LEU 2 0.124 -4.769 -0.260 19 3HD1 LEU 2 3HD1 LEU 2 1.638 -3.955 -0.636 20 1HD2 LEU 2 1HD2 LEU 2 -1.531 -5.206 -1.958 21 2HD2 LEU 2 2HD2 LEU 2 -1.881 -3.466 -1.959 22 3HD2 LEU 2 3HD2 LEU 2 -1.544 -4.311 -3.486 23 H GLN 3 H GLN 3 2.165 -3.819 -5.015 24 HA GLN 3 HA GLN 3 2.884 -1.775 -7.001 25 1HB GLN 3 1HB GLN 3 5.062 -2.459 -6.344 26 2HB GLN 3 2HB GLN 3 4.585 -4.139 -6.118 27 1HG GLN 3 1HG GLN 3 4.485 -4.552 -8.487 28 2HG GLN 3 2HG GLN 3 4.676 -2.836 -8.858 29 1HE2 GLN 3 2HE2 GLN 3 6.727 -1.781 -8.227 30 2HE2 GLN 3 1HE2 GLN 3 8.195 -2.719 -8.388 31 H TYR 4 H TYR 4 2.443 -2.524 -9.189 32 HA TYR 4 HA TYR 4 1.256 -5.224 -9.407 33 1HB TYR 4 1HB TYR 4 -0.282 -4.580 -11.132 34 2HB TYR 4 2HB TYR 4 -0.626 -3.739 -9.645 35 HD1 TYR 4 HD1 TYR 4 -1.718 -1.757 -10.191 36 HD2 TYR 4 HD2 TYR 4 1.613 -2.924 -12.679 37 HE1 TYR 4 HE1 TYR 4 -1.789 0.423 -11.333 38 HE2 TYR 4 HE2 TYR 4 1.572 -0.742 -13.765 39 HH TYR 4 HH TYR 4 -0.779 1.796 -12.962 40 H ARG 5 H ARG 5 1.485 -6.142 -11.527 41 HA ARG 5 HA ARG 5 3.055 -4.631 -13.498 42 1HB ARG 5 1HB ARG 5 3.586 -7.523 -12.722 43 2HB ARG 5 2HB ARG 5 3.715 -7.011 -14.408 44 1HG ARG 5 1HG ARG 5 5.360 -5.279 -13.808 45 2HG ARG 5 2HG ARG 5 5.252 -5.748 -12.103 46 1HD ARG 5 1HD ARG 5 7.240 -6.733 -13.150 47 2HD ARG 5 2HD ARG 5 6.110 -7.979 -12.627 48 HE ARG 5 HE ARG 5 6.258 -7.022 -15.484 49 1HH1 ARG 5 1HH2 ARG 5 6.315 -9.786 -13.222 50 2HH1 ARG 5 2HH2 ARG 5 6.277 -10.956 -14.488 51 1HH2 ARG 5 1HH1 ARG 5 6.222 -8.465 -17.047 52 2HH2 ARG 5 2HH1 ARG 5 6.233 -10.201 -16.770 53 H ILE 6 H ILE 6 2.016 -4.782 -15.500 54 HA ILE 6 HA ILE 6 -0.427 -6.468 -15.708 55 HB ILE 6 HB ILE 6 -0.185 -3.463 -16.152 56 1HG1 ILE 6 1HG1 ILE 6 -2.040 -4.968 -14.275 57 2HG1 ILE 6 2HG1 ILE 6 -0.559 -4.162 -13.771 58 1HG2 ILE 6 1HG2 ILE 6 -1.494 -4.360 -17.959 59 2HG2 ILE 6 2HG2 ILE 6 -2.499 -5.316 -16.841 60 3HG2 ILE 6 3HG2 ILE 6 -2.591 -3.543 -16.868 61 1HD1 ILE 6 1HD1 ILE 6 -3.076 -2.856 -14.809 62 2HD1 ILE 6 2HD1 ILE 6 -2.292 -2.690 -13.233 63 3HD1 ILE 6 3HD1 ILE 6 -1.507 -2.004 -14.663 64 H ILE 7 H ILE 7 -0.649 -7.241 -17.813 65 HA ILE 7 HA ILE 7 1.054 -6.073 -19.923 66 HB ILE 7 HB ILE 7 0.700 -8.850 -20.496 67 1HG1 ILE 7 1HG1 ILE 7 0.692 -9.235 -17.982 68 2HG1 ILE 7 2HG1 ILE 7 1.821 -10.138 -18.966 69 1HG2 ILE 7 1HG2 ILE 7 2.344 -7.385 -21.506 70 2HG2 ILE 7 2HG2 ILE 7 3.217 -7.244 -19.974 71 3HG2 ILE 7 3HG2 ILE 7 3.125 -8.814 -20.814 72 1HD1 ILE 7 1HD1 ILE 7 2.801 -9.348 -16.824 73 2HD1 ILE 7 2HD1 ILE 7 3.698 -8.809 -18.252 74 3HD1 ILE 7 3HD1 ILE 7 2.645 -7.672 -17.386 75 H VAL 8 H VAL 8 -0.122 -5.731 -21.777 76 HA VAL 8 HA VAL 8 -2.893 -6.800 -21.901 77 HB VAL 8 HB VAL 8 -3.569 -4.390 -22.401 78 1HG1 VAL 8 1HG1 VAL 8 -4.264 -5.549 -20.427 79 2HG1 VAL 8 2HG1 VAL 8 -2.775 -5.117 -19.577 80 3HG1 VAL 8 3HG1 VAL 8 -3.930 -3.855 -20.048 81 1HG2 VAL 8 1HG2 VAL 8 -1.055 -3.653 -20.840 82 2HG2 VAL 8 2HG2 VAL 8 -1.280 -3.405 -22.585 83 3HG2 VAL 8 3HG2 VAL 8 -2.321 -2.562 -21.431 84 H ASP 9 H ASP 9 -3.922 -6.641 -23.882 85 HA ASP 9 HA ASP 9 -2.420 -5.701 -26.250 86 1HB ASP 9 1HB ASP 9 -2.011 -8.165 -26.025 87 2HB ASP 9 2HB ASP 9 -3.756 -8.432 -25.996 88 H GLY 10 H GLY 10 -3.921 -4.902 -27.847 89 1HA GLY 10 1HA GLY 10 -6.540 -5.087 -28.328 90 2HA GLY 10 2HA GLY 10 -6.553 -4.241 -26.766 91 H ARG 11 H ARG 11 -7.313 -2.283 -27.782 92 HA ARG 11 HA ARG 11 -5.237 -0.791 -29.303 93 1HB ARG 11 1HB ARG 11 -7.655 -0.277 -29.842 94 2HB ARG 11 2HB ARG 11 -7.847 0.315 -28.183 95 1HG ARG 11 1HG ARG 11 -5.820 1.864 -28.665 96 2HG ARG 11 2HG ARG 11 -6.016 1.421 -30.360 97 1HD ARG 11 1HD ARG 11 -8.113 2.712 -28.566 98 2HD ARG 11 2HD ARG 11 -7.131 3.548 -29.774 99 HE ARG 11 HE ARG 11 -8.360 1.638 -31.267 100 1HH1 ARG 11 1HH2 ARG 11 -9.584 4.110 -29.007 101 2HH1 ARG 11 2HH2 ARG 11 -11.032 4.401 -29.910 102 1HH2 ARG 11 1HH1 ARG 11 -10.323 1.994 -32.422 103 2HH2 ARG 11 2HH1 ARG 11 -11.469 3.152 -31.869 104 H VAL 12 H VAL 12 -3.634 -1.156 -27.788 105 HA VAL 12 HA VAL 12 -3.963 0.119 -25.109 106 HB VAL 12 HB VAL 12 -2.386 -1.580 -24.276 107 1HG1 VAL 12 1HG1 VAL 12 -3.907 -3.530 -24.377 108 2HG1 VAL 12 2HG1 VAL 12 -4.751 -2.007 -24.030 109 3HG1 VAL 12 3HG1 VAL 12 -4.849 -2.741 -25.637 110 1HG2 VAL 12 1HG2 VAL 12 -1.163 -2.111 -26.399 111 2HG2 VAL 12 2HG2 VAL 12 -1.720 -3.541 -25.548 112 3HG2 VAL 12 3HG2 VAL 12 -2.593 -2.980 -26.984 113 H GLN 13 H GLN 13 -2.651 0.858 -28.013 114 HA GLN 13 HA GLN 13 -0.211 2.069 -26.896 115 1HB GLN 13 1HB GLN 13 0.427 -0.182 -27.654 116 2HB GLN 13 2HB GLN 13 -0.356 0.087 -29.211 117 1HG GLN 13 1HG GLN 13 2.074 0.250 -29.412 118 2HG GLN 13 2HG GLN 13 1.324 1.790 -29.802 119 1HE2 GLN 13 2HE2 GLN 13 3.226 0.030 -27.361 120 2HE2 GLN 13 1HE2 GLN 13 3.758 1.450 -26.486 121 H GLY 14 H GLY 14 0.424 3.864 -27.962 122 1HA GLY 14 1HA GLY 14 0.203 5.051 -30.256 123 2HA GLY 14 2HA GLY 14 -1.501 5.177 -29.780 124 H VAL 15 H VAL 15 0.198 7.450 -30.101 125 HA VAL 15 HA VAL 15 1.516 8.261 -27.770 126 HB VAL 15 HB VAL 15 1.411 10.548 -28.724 127 1HG1 VAL 15 1HG1 VAL 15 2.095 8.392 -30.773 128 2HG1 VAL 15 2HG1 VAL 15 2.718 10.052 -30.722 129 3HG1 VAL 15 3HG1 VAL 15 3.133 8.916 -29.430 130 1HG2 VAL 15 1HG2 VAL 15 0.412 10.950 -30.929 131 2HG2 VAL 15 2HG2 VAL 15 -0.291 9.324 -30.951 132 3HG2 VAL 15 3HG2 VAL 15 -0.840 10.525 -29.760 133 H GLY 16 H GLY 16 -1.939 8.485 -28.495 134 1HA GLY 16 1HA GLY 16 -2.440 9.818 -25.870 135 2HA GLY 16 2HA GLY 16 -3.614 9.526 -27.157 136 H PHE 17 H PHE 17 -3.123 6.802 -27.737 137 HA PHE 17 HA PHE 17 -4.881 5.748 -25.883 138 1HB PHE 17 1HB PHE 17 -3.147 4.209 -27.822 139 2HB PHE 17 2HB PHE 17 -4.617 3.610 -27.066 140 HD1 PHE 17 HD1 PHE 17 -3.550 4.528 -30.146 141 HD2 PHE 17 HD2 PHE 17 -6.606 5.660 -27.330 142 HE1 PHE 17 HE1 PHE 17 -4.888 5.496 -31.985 143 HE2 PHE 17 HE2 PHE 17 -7.936 6.648 -29.169 144 HZ PHE 17 HZ PHE 17 -7.080 6.573 -31.506 145 H ARG 18 H ARG 18 -1.287 5.401 -25.776 146 HA ARG 18 HA ARG 18 -1.769 4.048 -23.153 147 1HB ARG 18 1HB ARG 18 0.364 3.230 -23.071 148 2HB ARG 18 2HB ARG 18 -0.246 2.867 -24.675 149 1HG ARG 18 1HG ARG 18 1.171 4.532 -25.695 150 2HG ARG 18 2HG ARG 18 1.653 5.191 -24.113 151 1HD ARG 18 1HD ARG 18 2.717 3.120 -23.485 152 2HD ARG 18 2HD ARG 18 2.150 2.310 -24.955 153 HE ARG 18 HE ARG 18 3.516 4.218 -26.119 154 1HH1 ARG 18 1HH2 ARG 18 4.494 2.198 -23.363 155 2HH1 ARG 18 2HH2 ARG 18 6.198 2.423 -23.651 156 1HH2 ARG 18 1HH1 ARG 18 5.817 4.496 -26.448 157 2HH2 ARG 18 2HH1 ARG 18 6.927 3.658 -25.408 158 H TYR 19 H TYR 19 -1.373 7.219 -24.222 159 HA TYR 19 HA TYR 19 -0.005 8.139 -21.806 160 1HB TYR 19 1HB TYR 19 -0.216 9.697 -23.663 161 2HB TYR 19 2HB TYR 19 -1.977 9.562 -23.628 162 HD1 TYR 19 HD1 TYR 19 0.977 10.647 -21.587 163 HD2 TYR 19 HD2 TYR 19 -3.297 10.900 -22.156 164 HE1 TYR 19 HE1 TYR 19 0.852 12.409 -19.849 165 HE2 TYR 19 HE2 TYR 19 -3.429 12.670 -20.436 166 HH TYR 19 HH TYR 19 -2.245 13.974 -18.903 167 H PHE 20 H PHE 20 -3.354 7.244 -22.792 168 HA PHE 20 HA PHE 20 -4.758 8.051 -20.585 169 1HB PHE 20 1HB PHE 20 -6.251 7.049 -21.943 170 2HB PHE 20 2HB PHE 20 -5.079 5.914 -22.592 171 HD1 PHE 20 HD1 PHE 20 -7.210 6.533 -19.545 172 HD2 PHE 20 HD2 PHE 20 -5.235 3.613 -22.035 173 HE1 PHE 20 HE1 PHE 20 -8.146 4.712 -18.158 174 HE2 PHE 20 HE2 PHE 20 -6.186 1.789 -20.625 175 HZ PHE 20 HZ PHE 20 -7.586 2.351 -18.664 176 H VAL 21 H VAL 21 -2.885 4.909 -20.585 177 HA VAL 21 HA VAL 21 -3.733 4.361 -17.950 178 HB VAL 21 HB VAL 21 -1.870 2.796 -17.859 179 1HG1 VAL 21 1HG1 VAL 21 -4.054 2.206 -18.859 180 2HG1 VAL 21 2HG1 VAL 21 -3.411 2.604 -20.467 181 3HG1 VAL 21 3HG1 VAL 21 -2.721 1.263 -19.538 182 1HG2 VAL 21 1HG2 VAL 21 -0.436 2.259 -19.681 183 2HG2 VAL 21 2HG2 VAL 21 -1.129 3.534 -20.698 184 3HG2 VAL 21 3HG2 VAL 21 -0.154 3.946 -19.263 185 H GLN 22 H GLN 22 -0.946 6.322 -19.123 186 HA GLN 22 HA GLN 22 0.049 6.609 -16.406 187 1HB GLN 22 1HB GLN 22 0.726 8.193 -18.901 188 2HB GLN 22 2HB GLN 22 1.616 8.174 -17.380 189 1HG GLN 22 1HG GLN 22 1.350 5.921 -19.397 190 2HG GLN 22 2HG GLN 22 2.793 6.793 -18.924 191 1HE2 GLN 22 2HE2 GLN 22 4.191 5.518 -17.662 192 2HE2 GLN 22 1HE2 GLN 22 3.603 4.335 -16.498 193 H MET 23 H MET 23 -2.333 8.291 -18.327 194 HA MET 23 HA MET 23 -2.514 10.587 -16.580 195 1HB MET 23 1HB MET 23 -3.928 11.332 -18.078 196 2HB MET 23 2HB MET 23 -3.744 9.857 -19.010 197 1HG MET 23 1HG MET 23 -5.711 8.890 -17.980 198 2HG MET 23 2HG MET 23 -5.803 10.209 -16.803 199 1HE MET 23 1HE MET 23 -7.787 9.986 -20.821 200 2HE MET 23 2HE MET 23 -6.042 9.668 -20.847 201 3HE MET 23 3HE MET 23 -7.110 8.706 -19.783 202 H GLU 24 H GLU 24 -4.154 7.338 -16.625 203 HA GLU 24 HA GLU 24 -5.675 7.802 -14.246 204 1HB GLU 24 1HB GLU 24 -4.569 5.247 -15.510 205 2HB GLU 24 2HB GLU 24 -5.611 5.253 -14.103 206 1HG GLU 24 1HG GLU 24 -6.414 6.466 -16.796 207 2HG GLU 24 2HG GLU 24 -6.738 4.797 -16.301 208 H ALA 25 H ALA 25 -2.324 6.636 -14.800 209 HA ALA 25 HA ALA 25 -1.725 5.907 -12.155 210 1HB ALA 25 1HB ALA 25 0.193 7.217 -14.148 211 2HB ALA 25 2HB ALA 25 0.629 6.220 -12.764 212 3HB ALA 25 3HB ALA 25 -0.227 5.490 -14.134 213 H ASP 26 H ASP 26 -1.200 9.070 -13.771 214 HA ASP 26 HA ASP 26 -0.249 10.473 -11.487 215 1HB ASP 26 1HB ASP 26 -0.020 11.336 -13.760 216 2HB ASP 26 2HB ASP 26 -1.766 11.469 -13.936 217 H LYS 27 H LYS 27 -3.537 10.185 -12.849 218 HA LYS 27 HA LYS 27 -4.921 11.791 -11.012 219 1HB LYS 27 1HB LYS 27 -5.726 11.018 -13.180 220 2HB LYS 27 2HB LYS 27 -5.770 9.351 -12.628 221 1HG LYS 27 1HG LYS 27 -7.393 11.386 -11.104 222 2HG LYS 27 2HG LYS 27 -7.904 11.003 -12.742 223 1HD LYS 27 1HD LYS 27 -7.476 8.888 -10.600 224 2HD LYS 27 2HD LYS 27 -9.037 9.623 -10.956 225 1HE LYS 27 1HE LYS 27 -7.314 8.048 -12.922 226 2HE LYS 27 2HE LYS 27 -8.681 7.405 -12.038 227 1HZ LYS 27 1HZ LYS 27 -9.199 8.095 -14.328 228 2HZ LYS 27 2HZ LYS 27 -10.161 8.839 -13.217 229 3HZ LYS 27 3HZ LYS 27 -8.939 9.658 -13.940 230 H ARG 28 H ARG 28 -3.731 8.497 -10.632 231 HA ARG 28 HA ARG 28 -5.137 8.229 -8.015 232 1HB ARG 28 1HB ARG 28 -3.888 6.185 -9.899 233 2HB ARG 28 2HB ARG 28 -4.597 5.787 -8.328 234 1HG ARG 28 1HG ARG 28 -6.781 6.506 -8.991 235 2HG ARG 28 2HG ARG 28 -6.160 7.194 -10.511 236 1HD ARG 28 1HD ARG 28 -5.437 4.932 -11.201 237 2HD ARG 28 2HD ARG 28 -6.340 4.261 -9.827 238 HE ARG 28 HE ARG 28 -7.342 5.168 -12.385 239 1HH1 ARG 28 1HH2 ARG 28 -8.419 5.223 -8.979 240 2HH1 ARG 28 2HH2 ARG 28 -10.087 5.212 -9.410 241 1HH2 ARG 28 1HH1 ARG 28 -9.393 5.182 -12.909 242 2HH2 ARG 28 2HH1 ARG 28 -10.697 5.079 -11.739 243 H LYS 29 H LYS 29 -2.412 9.649 -8.861 244 HA LYS 29 HA LYS 29 -0.356 9.956 -8.066 245 1HB LYS 29 1HB LYS 29 -1.633 9.201 -5.407 246 2HB LYS 29 2HB LYS 29 -0.116 10.083 -5.619 247 1HG LYS 29 1HG LYS 29 -1.331 11.901 -6.810 248 2HG LYS 29 2HG LYS 29 -2.863 11.054 -6.521 249 1HD LYS 29 1HD LYS 29 -2.492 11.202 -4.074 250 2HD LYS 29 2HD LYS 29 -0.963 12.065 -4.361 251 1HE LYS 29 1HE LYS 29 -2.208 13.861 -5.549 252 2HE LYS 29 2HE LYS 29 -3.727 13.003 -5.262 253 1HZ LYS 29 1HZ LYS 29 -3.376 14.746 -3.634 254 2HZ LYS 29 2HZ LYS 29 -3.371 13.303 -2.880 255 3HZ LYS 29 3HZ LYS 29 -1.965 14.097 -3.145 256 H LEU 30 H LEU 30 -0.726 7.410 -9.206 257 HA LEU 30 HA LEU 30 1.002 5.502 -7.751 258 1HB LEU 30 1HB LEU 30 -0.054 5.599 -10.614 259 2HB LEU 30 2HB LEU 30 0.918 4.292 -9.944 260 HG LEU 30 HG LEU 30 -1.919 5.063 -9.173 261 1HD1 LEU 30 1HD1 LEU 30 -2.455 2.836 -10.048 262 2HD1 LEU 30 2HD1 LEU 30 -1.604 3.786 -11.277 263 3HD1 LEU 30 3HD1 LEU 30 -0.734 2.532 -10.389 264 1HD2 LEU 30 1HD2 LEU 30 -0.874 4.369 -7.111 265 2HD2 LEU 30 2HD2 LEU 30 -1.842 3.016 -7.703 266 3HD2 LEU 30 3HD2 LEU 30 -0.080 2.994 -7.923 267 H ALA 31 H ALA 31 3.092 4.877 -8.806 268 HA ALA 31 HA ALA 31 4.273 6.843 -10.673 269 1HB ALA 31 1HB ALA 31 6.360 6.945 -9.362 270 2HB ALA 31 2HB ALA 31 5.016 7.607 -8.418 271 3HB ALA 31 3HB ALA 31 5.628 5.971 -8.070 272 H GLY 32 H GLY 32 5.499 5.772 -12.211 273 1HA GLY 32 1HA GLY 32 6.591 3.153 -12.059 274 2HA GLY 32 2HA GLY 32 4.874 3.051 -12.496 275 H TRP 33 H TRP 33 5.867 2.089 -14.506 276 HA TRP 33 HA TRP 33 6.114 4.238 -16.493 277 1HB TRP 33 1HB TRP 33 7.990 3.020 -17.626 278 2HB TRP 33 2HB TRP 33 8.388 3.801 -16.111 279 HD1 TRP 33 HD1 TRP 33 8.107 0.336 -17.659 280 HE1 TRP 33 HE1 TRP 33 9.320 -1.354 -16.181 281 HE3 TRP 33 HE3 TRP 33 9.006 3.333 -13.603 282 HZ2 TRP 33 HZ2 TRP 33 10.600 -1.385 -13.564 283 HZ3 TRP 33 HZ3 TRP 33 10.205 2.441 -11.626 284 HH2 TRP 33 HH2 TRP 33 11.022 0.093 -11.607 285 H VAL 34 H VAL 34 5.748 3.544 -18.700 286 HA VAL 34 HA VAL 34 4.407 0.894 -18.991 287 HB VAL 34 HB VAL 34 2.711 2.677 -18.928 288 1HG1 VAL 34 1HG1 VAL 34 4.033 3.761 -21.445 289 2HG1 VAL 34 2HG1 VAL 34 2.491 4.299 -20.755 290 3HG1 VAL 34 3HG1 VAL 34 4.001 4.554 -19.865 291 1HG2 VAL 34 1HG2 VAL 34 1.512 2.053 -20.956 292 2HG2 VAL 34 2HG2 VAL 34 2.995 1.430 -21.691 293 3HG2 VAL 34 3HG2 VAL 34 2.320 0.644 -20.257 294 H LYS 35 H LYS 35 4.850 -0.222 -20.848 295 HA LYS 35 HA LYS 35 7.184 0.658 -22.486 296 1HB LYS 35 1HB LYS 35 7.838 -0.431 -20.324 297 2HB LYS 35 2HB LYS 35 6.845 -1.820 -20.752 298 1HG LYS 35 1HG LYS 35 8.377 -2.295 -22.678 299 2HG LYS 35 2HG LYS 35 9.326 -0.860 -22.270 300 1HD LYS 35 1HD LYS 35 10.430 -2.841 -21.413 301 2HD LYS 35 2HD LYS 35 9.833 -1.887 -20.040 302 1HE LYS 35 1HE LYS 35 7.842 -3.368 -19.869 303 2HE LYS 35 2HE LYS 35 8.337 -4.244 -21.315 304 1HZ LYS 35 1HZ LYS 35 8.810 -5.420 -19.326 305 2HZ LYS 35 2HZ LYS 35 10.232 -5.088 -20.089 306 3HZ LYS 35 3HZ LYS 35 9.802 -4.244 -18.746 307 H ASN 36 H ASN 36 7.528 -0.953 -24.310 308 HA ASN 36 HA ASN 36 5.105 -2.573 -24.978 309 1HB ASN 36 1HB ASN 36 5.360 -0.722 -26.602 310 2HB ASN 36 2HB ASN 36 7.040 -1.189 -26.882 311 1HD2 ASN 36 2HD2 ASN 36 3.769 -2.836 -26.829 312 2HD2 ASN 36 1HD2 ASN 36 4.055 -3.754 -28.261 313 H ARG 37 H ARG 37 5.556 -4.709 -24.897 314 HA ARG 37 HA ARG 37 8.345 -5.635 -24.578 315 1HB ARG 37 1HB ARG 37 5.666 -7.116 -24.679 316 2HB ARG 37 2HB ARG 37 7.238 -7.879 -24.413 317 1HG ARG 37 1HG ARG 37 7.549 -6.546 -22.333 318 2HG ARG 37 2HG ARG 37 5.984 -5.770 -22.601 319 1HD ARG 37 1HD ARG 37 5.654 -7.514 -20.977 320 2HD ARG 37 2HD ARG 37 4.872 -7.999 -22.474 321 HE ARG 37 HE ARG 37 6.368 -9.734 -22.736 322 1HH1 ARG 37 1HH2 ARG 37 7.478 -7.704 -19.992 323 2HH1 ARG 37 2HH2 ARG 37 8.624 -8.884 -19.455 324 1HH2 ARG 37 1HH1 ARG 37 7.914 -11.247 -21.998 325 2HH2 ARG 37 2HH1 ARG 37 8.878 -10.918 -20.612 326 H ASP 38 H ASP 38 9.386 -6.923 -26.152 327 HA ASP 38 HA ASP 38 8.984 -6.241 -28.847 328 1HB ASP 38 1HB ASP 38 11.118 -7.021 -27.948 329 2HB ASP 38 2HB ASP 38 10.433 -8.615 -27.618 330 H ASP 39 H ASP 39 7.603 -8.897 -26.976 331 HA ASP 39 HA ASP 39 6.662 -10.546 -29.086 332 1HB ASP 39 1HB ASP 39 6.754 -11.232 -26.731 333 2HB ASP 39 2HB ASP 39 5.536 -10.025 -26.308 334 H GLY 40 H GLY 40 5.416 -7.461 -27.845 335 1HA GLY 40 1HA GLY 40 4.216 -6.275 -29.651 336 2HA GLY 40 2HA GLY 40 3.064 -7.618 -29.675 337 H ARG 41 H ARG 41 3.239 -7.895 -26.668 338 HA ARG 41 HA ARG 41 0.940 -6.312 -25.996 339 1HB ARG 41 1HB ARG 41 2.954 -7.930 -24.366 340 2HB ARG 41 2HB ARG 41 1.725 -6.957 -23.588 341 1HG ARG 41 1HG ARG 41 1.089 -9.258 -23.629 342 2HG ARG 41 2HG ARG 41 -0.079 -8.260 -24.476 343 1HD ARG 41 1HD ARG 41 2.084 -9.842 -25.903 344 2HD ARG 41 2HD ARG 41 0.507 -10.532 -25.511 345 HE ARG 41 HE ARG 41 -0.308 -8.358 -26.801 346 1HH1 ARG 41 1HH1 ARG 41 2.280 -10.629 -27.747 347 2HH1 ARG 41 2HH1 ARG 41 2.189 -10.218 -29.415 348 1HH2 ARG 41 1HH2 ARG 41 -0.584 -8.001 -29.031 349 2HH2 ARG 41 2HH2 ARG 41 0.429 -8.809 -30.187 350 H VAL 42 H VAL 42 0.724 -4.638 -24.497 351 HA VAL 42 HA VAL 42 3.138 -2.950 -24.028 352 HB VAL 42 HB VAL 42 0.161 -2.438 -24.001 353 1HG1 VAL 42 1HG1 VAL 42 2.184 -0.740 -22.495 354 2HG1 VAL 42 2HG1 VAL 42 0.515 -0.265 -22.887 355 3HG1 VAL 42 3HG1 VAL 42 0.807 -1.621 -21.792 356 1HG2 VAL 42 1HG2 VAL 42 1.480 -1.949 -26.016 357 2HG2 VAL 42 2HG2 VAL 42 0.926 -0.442 -25.274 358 3HG2 VAL 42 3HG2 VAL 42 2.605 -0.949 -25.057 359 H GLU 43 H GLU 43 3.738 -2.569 -21.868 360 HA GLU 43 HA GLU 43 2.597 -4.387 -19.833 361 1HB GLU 43 1HB GLU 43 4.607 -5.472 -20.669 362 2HB GLU 43 2HB GLU 43 5.554 -3.991 -20.467 363 1HG GLU 43 1HG GLU 43 5.338 -4.107 -18.046 364 2HG GLU 43 2HG GLU 43 4.165 -5.422 -18.167 365 H ILE 44 H ILE 44 2.549 -3.436 -17.780 366 HA ILE 44 HA ILE 44 3.439 -0.619 -17.536 367 HB ILE 44 HB ILE 44 0.893 -1.574 -16.280 368 1HG1 ILE 44 1HG1 ILE 44 0.875 -0.667 -19.177 369 2HG1 ILE 44 2HG1 ILE 44 0.452 -2.273 -18.582 370 1HG2 ILE 44 1HG2 ILE 44 1.598 1.139 -17.461 371 2HG2 ILE 44 2HG2 ILE 44 0.327 0.757 -16.280 372 3HG2 ILE 44 3HG2 ILE 44 2.010 0.657 -15.805 373 1HD1 ILE 44 1HD1 ILE 44 -1.428 -1.297 -17.278 374 2HD1 ILE 44 2HD1 ILE 44 -1.086 0.281 -18.026 375 3HD1 ILE 44 3HD1 ILE 44 -1.574 -1.090 -19.034 376 H LEU 45 H LEU 45 4.246 -0.188 -15.444 377 HA LEU 45 HA LEU 45 3.951 -2.246 -13.318 378 1HB LEU 45 1HB LEU 45 5.931 -2.885 -14.648 379 2HB LEU 45 2HB LEU 45 6.626 -1.283 -14.444 380 HG LEU 45 HG LEU 45 6.016 -3.163 -12.112 381 1HD1 LEU 45 1HD1 LEU 45 8.625 -2.767 -13.632 382 2HD1 LEU 45 2HD1 LEU 45 8.405 -3.763 -12.175 383 3HD1 LEU 45 3HD1 LEU 45 7.605 -4.214 -13.684 384 1HD2 LEU 45 1HD2 LEU 45 7.587 -0.567 -12.353 385 2HD2 LEU 45 2HD2 LEU 45 6.354 -1.010 -11.155 386 3HD2 LEU 45 3HD2 LEU 45 7.939 -1.747 -11.071 387 H ALA 46 H ALA 46 3.516 -1.115 -11.434 388 HA ALA 46 HA ALA 46 4.758 1.491 -11.001 389 1HB ALA 46 1HB ALA 46 2.641 2.663 -10.598 390 2HB ALA 46 2HB ALA 46 2.623 2.034 -12.257 391 3HB ALA 46 3HB ALA 46 1.720 1.202 -10.962 392 H GLU 47 H GLU 47 4.357 2.273 -8.842 393 HA GLU 47 HA GLU 47 3.668 0.165 -6.867 394 1HB GLU 47 1HB GLU 47 5.169 1.113 -5.324 395 2HB GLU 47 2HB GLU 47 6.052 0.908 -6.839 396 1HG GLU 47 1HG GLU 47 5.495 3.389 -7.308 397 2HG GLU 47 2HG GLU 47 4.970 3.490 -5.627 398 H GLY 48 H GLY 48 2.326 0.961 -5.051 399 1HA GLY 48 1HA GLY 48 1.560 3.565 -4.523 400 2HA GLY 48 2HA GLY 48 0.414 3.009 -5.742 401 HA PRO 49 HA PRO 49 -1.034 1.391 -1.617 402 1HB PRO 49 1HB PRO 49 -3.344 2.850 -1.327 403 2HB PRO 49 2HB PRO 49 -1.750 3.375 -0.709 404 1HG PRO 49 1HG PRO 49 -3.142 4.219 -3.242 405 2HG PRO 49 2HG PRO 49 -2.257 5.237 -2.073 406 1HD PRO 49 1HD PRO 49 -1.143 4.328 -4.430 407 2HD PRO 49 2HD PRO 49 -0.179 4.620 -2.953 408 H GLU 50 H GLU 50 -2.892 0.008 -1.366 409 HA GLU 50 HA GLU 50 -3.235 -1.630 -3.566 410 1HB GLU 50 1HB GLU 50 -3.527 -2.202 -1.124 411 2HB GLU 50 2HB GLU 50 -5.081 -1.379 -1.142 412 1HG GLU 50 1HG GLU 50 -5.907 -2.971 -2.868 413 2HG GLU 50 2HG GLU 50 -4.336 -3.778 -2.870 414 H ASN 51 H ASN 51 -5.648 0.721 -2.266 415 HA ASN 51 HA ASN 51 -7.661 -0.008 -4.156 416 1HB ASN 51 1HB ASN 51 -8.169 1.169 -2.039 417 2HB ASN 51 2HB ASN 51 -7.303 2.602 -2.603 418 1HD2 ASN 51 2HD2 ASN 51 -8.515 4.137 -3.779 419 2HD2 ASN 51 1HD2 ASN 51 -10.089 3.816 -4.454 420 H ALA 52 H ALA 52 -5.083 2.456 -4.297 421 HA ALA 52 HA ALA 52 -5.986 3.805 -6.685 422 1HB ALA 52 1HB ALA 52 -3.208 3.435 -5.451 423 2HB ALA 52 2HB ALA 52 -3.587 4.528 -6.786 424 3HB ALA 52 3HB ALA 52 -4.319 4.806 -5.198 425 H LEU 53 H LEU 53 -3.655 1.123 -6.084 426 HA LEU 53 HA LEU 53 -2.979 0.679 -8.811 427 1HB LEU 53 1HB LEU 53 -2.958 -1.127 -6.361 428 2HB LEU 53 2HB LEU 53 -2.319 -1.642 -7.916 429 HG LEU 53 HG LEU 53 -1.285 0.824 -6.448 430 1HD1 LEU 53 1HD1 LEU 53 -0.952 -1.113 -5.048 431 2HD1 LEU 53 2HD1 LEU 53 -0.303 -2.061 -6.411 432 3HD1 LEU 53 3HD1 LEU 53 0.592 -0.659 -5.778 433 1HD2 LEU 53 1HD2 LEU 53 0.673 0.616 -7.862 434 2HD2 LEU 53 2HD2 LEU 53 0.058 -0.866 -8.597 435 3HD2 LEU 53 3HD2 LEU 53 -0.745 0.688 -8.908 436 H GLN 54 H GLN 54 -5.463 -0.879 -6.757 437 HA GLN 54 HA GLN 54 -6.215 -2.639 -8.880 438 1HB GLN 54 1HB GLN 54 -7.441 -2.043 -6.162 439 2HB GLN 54 2HB GLN 54 -8.092 -3.262 -7.281 440 1HG GLN 54 1HG GLN 54 -5.910 -4.415 -7.359 441 2HG GLN 54 2HG GLN 54 -5.205 -3.230 -6.271 442 1HE2 GLN 54 2HE2 GLN 54 -4.736 -5.568 -5.406 443 2HE2 GLN 54 1HE2 GLN 54 -5.823 -6.098 -4.124 444 H SER 55 H SER 55 -7.565 0.480 -7.785 445 HA SER 55 HA SER 55 -9.837 0.338 -9.563 446 1HB SER 55 1HB SER 55 -8.435 2.809 -8.493 447 2HB SER 55 2HB SER 55 -10.082 2.704 -9.160 448 HG SER 55 HG SER 55 -9.027 1.668 -6.761 449 H PHE 56 H PHE 56 -6.455 1.517 -9.954 450 HA PHE 56 HA PHE 56 -6.666 2.428 -12.629 451 1HB PHE 56 1HB PHE 56 -4.710 2.803 -11.200 452 2HB PHE 56 2HB PHE 56 -4.386 1.097 -11.112 453 HD1 PHE 56 HD1 PHE 56 -3.921 -0.182 -13.380 454 HD2 PHE 56 HD2 PHE 56 -3.483 4.085 -12.761 455 HE1 PHE 56 HE1 PHE 56 -2.427 -0.035 -15.343 456 HE2 PHE 56 HE2 PHE 56 -1.861 4.141 -14.591 457 HZ PHE 56 HZ PHE 56 -1.365 2.131 -15.925 458 H VAL 57 H VAL 57 -5.953 -0.917 -11.321 459 HA VAL 57 HA VAL 57 -5.798 -2.152 -13.838 460 HB VAL 57 HB VAL 57 -6.673 -3.200 -11.119 461 1HG1 VAL 57 1HG1 VAL 57 -6.291 -4.817 -13.664 462 2HG1 VAL 57 2HG1 VAL 57 -6.335 -5.507 -12.022 463 3HG1 VAL 57 3HG1 VAL 57 -7.762 -4.702 -12.676 464 1HG2 VAL 57 1HG2 VAL 57 -4.181 -3.886 -12.698 465 2HG2 VAL 57 2HG2 VAL 57 -4.230 -2.511 -11.583 466 3HG2 VAL 57 3HG2 VAL 57 -4.503 -4.147 -10.973 467 H GLU 58 H GLU 58 -8.782 -1.497 -11.862 468 HA GLU 58 HA GLU 58 -10.551 -2.671 -13.731 469 1HB GLU 58 1HB GLU 58 -11.024 -0.364 -11.802 470 2HB GLU 58 2HB GLU 58 -12.286 -1.154 -12.752 471 1HG GLU 58 1HG GLU 58 -11.654 -3.344 -11.708 472 2HG GLU 58 2HG GLU 58 -10.524 -2.484 -10.665 473 H ALA 59 H ALA 59 -9.212 0.634 -13.630 474 HA ALA 59 HA ALA 59 -10.716 1.758 -15.785 475 1HB ALA 59 1HB ALA 59 -9.028 3.461 -15.807 476 2HB ALA 59 2HB ALA 59 -9.256 2.984 -14.106 477 3HB ALA 59 3HB ALA 59 -7.842 2.422 -15.003 478 H VAL 60 H VAL 60 -7.649 -0.163 -15.829 479 HA VAL 60 HA VAL 60 -7.440 0.041 -18.728 480 HB VAL 60 HB VAL 60 -6.147 -2.080 -16.961 481 1HG1 VAL 60 1HG1 VAL 60 -5.330 -0.818 -19.621 482 2HG1 VAL 60 2HG1 VAL 60 -4.418 -2.047 -18.718 483 3HG1 VAL 60 3HG1 VAL 60 -5.997 -2.451 -19.402 484 1HG2 VAL 60 1HG2 VAL 60 -5.288 0.802 -17.453 485 2HG2 VAL 60 2HG2 VAL 60 -5.402 -0.086 -15.919 486 3HG2 VAL 60 3HG2 VAL 60 -4.126 -0.480 -17.045 487 H LYS 61 H LYS 61 -8.554 -2.562 -16.476 488 HA LYS 61 HA LYS 61 -9.046 -4.502 -18.441 489 1HB LYS 61 1HB LYS 61 -8.773 -4.866 -15.989 490 2HB LYS 61 2HB LYS 61 -10.362 -4.147 -15.707 491 1HG LYS 61 1HG LYS 61 -11.443 -5.967 -16.963 492 2HG LYS 61 2HG LYS 61 -9.858 -6.646 -17.383 493 1HD LYS 61 1HD LYS 61 -9.388 -7.038 -14.978 494 2HD LYS 61 2HD LYS 61 -10.974 -6.351 -14.558 495 1HE LYS 61 1HE LYS 61 -12.089 -8.119 -15.912 496 2HE LYS 61 2HE LYS 61 -10.511 -8.804 -16.320 497 1HZ LYS 61 1HZ LYS 61 -11.541 -9.985 -14.490 498 2HZ LYS 61 2HZ LYS 61 -10.179 -9.270 -13.959 499 3HZ LYS 61 3HZ LYS 61 -11.641 -8.637 -13.584 500 H ASN 62 H ASN 62 -11.266 -2.043 -17.099 501 HA ASN 62 HA ASN 62 -13.660 -2.955 -18.356 502 1HB ASN 62 1HB ASN 62 -13.614 -1.371 -16.477 503 2HB ASN 62 2HB ASN 62 -12.739 -0.190 -17.445 504 1HD2 ASN 62 2HD2 ASN 62 -13.917 1.205 -18.794 505 2HD2 ASN 62 1HD2 ASN 62 -15.669 1.181 -18.889 506 H GLY 63 H GLY 63 -10.836 -1.392 -19.693 507 1HA GLY 63 1HA GLY 63 -10.448 -0.287 -21.679 508 2HA GLY 63 2HA GLY 63 -12.133 -0.514 -22.195 509 H SER 64 H SER 64 -11.224 1.974 -22.545 510 HA SER 64 HA SER 64 -12.057 3.595 -20.190 511 1HB SER 64 1HB SER 64 -9.957 4.697 -20.256 512 2HB SER 64 2HB SER 64 -9.595 2.990 -20.375 513 HG SER 64 HG SER 64 -8.431 4.210 -21.883 514 HA PRO 65 HA PRO 65 -13.885 6.595 -22.855 515 1HB PRO 65 1HB PRO 65 -11.502 8.422 -22.454 516 2HB PRO 65 2HB PRO 65 -13.247 8.843 -22.478 517 1HG PRO 65 1HG PRO 65 -12.010 8.507 -20.104 518 2HG PRO 65 2HG PRO 65 -13.612 7.739 -20.368 519 1HD PRO 65 1HD PRO 65 -10.870 6.496 -20.527 520 2HD PRO 65 2HD PRO 65 -12.344 5.819 -19.772 521 H PHE 66 H PHE 66 -10.506 5.747 -23.748 522 HA PHE 66 HA PHE 66 -11.397 5.743 -26.531 523 1HB PHE 66 1HB PHE 66 -9.443 7.138 -27.311 524 2HB PHE 66 2HB PHE 66 -10.779 7.962 -26.566 525 HD1 PHE 66 HD1 PHE 66 -7.443 6.493 -25.541 526 HD2 PHE 66 HD2 PHE 66 -10.312 9.678 -25.064 527 HE1 PHE 66 HE1 PHE 66 -5.815 7.760 -24.185 528 HE2 PHE 66 HE2 PHE 66 -8.693 10.919 -23.655 529 HZ PHE 66 HZ PHE 66 -6.425 9.978 -23.239 530 H SER 67 H SER 67 -9.723 4.018 -24.220 531 HA SER 67 HA SER 67 -8.231 2.552 -26.354 532 1HB SER 67 1HB SER 67 -7.395 2.907 -23.452 533 2HB SER 67 2HB SER 67 -6.521 2.028 -24.708 534 HG SER 67 HG SER 67 -5.619 4.043 -24.499 535 H LYS 68 H LYS 68 -8.051 0.137 -25.796 536 HA LYS 68 HA LYS 68 -9.597 -0.772 -23.600 537 1HB LYS 68 1HB LYS 68 -11.447 -1.830 -24.449 538 2HB LYS 68 2HB LYS 68 -11.498 -0.277 -25.244 539 1HG LYS 68 1HG LYS 68 -10.638 -2.927 -26.480 540 2HG LYS 68 2HG LYS 68 -12.180 -2.107 -26.690 541 1HD LYS 68 1HD LYS 68 -10.957 -0.176 -27.778 542 2HD LYS 68 2HD LYS 68 -9.471 -1.122 -27.636 543 1HE LYS 68 1HE LYS 68 -10.264 -1.403 -29.868 544 2HE LYS 68 2HE LYS 68 -10.470 -2.933 -29.014 545 1HZ LYS 68 1HZ LYS 68 -12.631 -0.964 -29.540 546 2HZ LYS 68 2HZ LYS 68 -12.410 -2.363 -30.341 547 3HZ LYS 68 3HZ LYS 68 -12.833 -2.394 -28.771 548 H VAL 69 H VAL 69 -9.254 -2.920 -23.083 549 HA VAL 69 HA VAL 69 -7.065 -4.225 -24.559 550 HB VAL 69 HB VAL 69 -7.083 -5.819 -22.701 551 1HG1 VAL 69 1HG1 VAL 69 -6.230 -4.319 -20.990 552 2HG1 VAL 69 2HG1 VAL 69 -5.743 -3.742 -22.594 553 3HG1 VAL 69 3HG1 VAL 69 -7.056 -2.931 -21.716 554 1HG2 VAL 69 1HG2 VAL 69 -9.278 -4.127 -21.415 555 2HG2 VAL 69 2HG2 VAL 69 -9.468 -5.784 -22.032 556 3HG2 VAL 69 3HG2 VAL 69 -8.396 -5.470 -20.668 557 H THR 70 H THR 70 -7.287 -6.315 -25.415 558 HA THR 70 HA THR 70 -9.992 -7.539 -25.473 559 HB THR 70 HB THR 70 -9.277 -8.556 -27.671 560 HG1 THR 70 HG1 THR 70 -7.102 -8.189 -27.731 561 1HG2 THR 70 1HG2 THR 70 -9.825 -6.593 -29.016 562 2HG2 THR 70 2HG2 THR 70 -10.829 -6.605 -27.557 563 3HG2 THR 70 3HG2 THR 70 -9.441 -5.501 -27.669 564 H ASP 71 H ASP 71 -6.667 -7.722 -24.485 565 HA ASP 71 HA ASP 71 -7.363 -10.128 -23.014 566 1HB ASP 71 1HB ASP 71 -6.251 -11.144 -24.963 567 2HB ASP 71 2HB ASP 71 -4.899 -10.017 -24.808 568 H ILE 72 H ILE 72 -6.185 -10.174 -21.029 569 HA ILE 72 HA ILE 72 -4.204 -8.122 -20.455 570 HB ILE 72 HB ILE 72 -6.169 -6.791 -20.203 571 1HG1 ILE 72 1HG1 ILE 72 -5.451 -7.661 -17.376 572 2HG1 ILE 72 2HG1 ILE 72 -4.360 -6.732 -18.397 573 1HG2 ILE 72 1HG2 ILE 72 -7.923 -8.524 -20.051 574 2HG2 ILE 72 2HG2 ILE 72 -7.407 -8.902 -18.393 575 3HG2 ILE 72 3HG2 ILE 72 -8.095 -7.317 -18.792 576 1HD1 ILE 72 1HD1 ILE 72 -6.106 -4.927 -18.566 577 2HD1 ILE 72 2HD1 ILE 72 -7.089 -5.838 -17.396 578 3HD1 ILE 72 3HD1 ILE 72 -5.505 -5.212 -16.923 579 H SER 73 H SER 73 -2.952 -8.687 -18.709 580 HA SER 73 HA SER 73 -3.796 -10.855 -16.885 581 1HB SER 73 1HB SER 73 -1.089 -10.704 -18.293 582 2HB SER 73 2HB SER 73 -1.541 -11.859 -17.030 583 HG SER 73 HG SER 73 -1.723 -12.743 -19.137 584 H VAL 74 H VAL 74 -2.941 -10.513 -14.783 585 HA VAL 74 HA VAL 74 -1.364 -8.050 -14.311 586 HB VAL 74 HB VAL 74 -3.989 -8.763 -12.925 587 1HG1 VAL 74 1HG1 VAL 74 -3.777 -6.465 -11.927 588 2HG1 VAL 74 2HG1 VAL 74 -2.542 -7.593 -11.376 589 3HG1 VAL 74 3HG1 VAL 74 -2.131 -6.367 -12.585 590 1HG2 VAL 74 1HG2 VAL 74 -3.428 -6.592 -14.987 591 2HG2 VAL 74 2HG2 VAL 74 -4.545 -7.967 -15.134 592 3HG2 VAL 74 3HG2 VAL 74 -4.887 -6.683 -13.982 593 H THR 75 H THR 75 -0.098 -8.167 -12.492 594 HA THR 75 HA THR 75 -0.301 -10.468 -10.648 595 HB THR 75 HB THR 75 2.319 -9.350 -11.756 596 HG1 THR 75 HG1 THR 75 1.233 -10.532 -13.343 597 1HG2 THR 75 1HG2 THR 75 3.316 -11.395 -10.731 598 2HG2 THR 75 2HG2 THR 75 2.605 -10.317 -9.528 599 3HG2 THR 75 3HG2 THR 75 1.736 -11.791 -10.017 600 H GLU 76 H GLU 76 0.386 -9.758 -8.459 601 HA GLU 76 HA GLU 76 0.845 -6.849 -8.146 602 1HB GLU 76 1HB GLU 76 -1.300 -8.485 -6.741 603 2HB GLU 76 2HB GLU 76 -0.706 -6.922 -6.163 604 1HG GLU 76 1HG GLU 76 -1.417 -5.837 -8.263 605 2HG GLU 76 2HG GLU 76 -2.008 -7.384 -8.879 606 H SER 77 H SER 77 2.044 -6.329 -6.341 607 HA SER 77 HA SER 77 3.396 -8.496 -4.855 608 1HB SER 77 1HB SER 77 4.869 -6.473 -6.613 609 2HB SER 77 2HB SER 77 5.582 -7.819 -5.712 610 HG SER 77 HG SER 77 5.365 -8.291 -7.928 611 H ARG 78 H ARG 78 5.343 -7.167 -3.579 612 HA ARG 78 HA ARG 78 4.113 -4.691 -2.437 613 1HB ARG 78 1HB ARG 78 5.674 -6.581 -0.698 614 2HB ARG 78 2HB ARG 78 4.452 -5.381 -0.256 615 1HG ARG 78 1HG ARG 78 3.839 -8.055 -1.597 616 2HG ARG 78 2HG ARG 78 3.812 -7.765 0.138 617 1HD ARG 78 1HD ARG 78 2.032 -6.208 -0.006 618 2HD ARG 78 2HD ARG 78 2.147 -6.113 -1.760 619 HE ARG 78 HE ARG 78 1.196 -8.462 -0.180 620 1HH1 ARG 78 1HH2 ARG 78 1.154 -6.686 -3.289 621 2HH1 ARG 78 2HH2 ARG 78 -0.136 -7.639 -3.931 622 1HH2 ARG 78 1HH1 ARG 78 -0.456 -9.729 -1.096 623 2HH2 ARG 78 2HH1 ARG 78 -1.032 -9.423 -2.687 624 H SER 79 H SER 79 6.512 -5.548 -4.361 625 HA SER 79 HA SER 79 8.869 -5.335 -2.987 626 1HB SER 79 1HB SER 79 8.513 -4.659 -5.921 627 2HB SER 79 2HB SER 79 9.864 -5.499 -5.140 628 HG SER 79 HG SER 79 8.451 -6.949 -6.216 629 H LEU 80 H LEU 80 7.006 -2.706 -4.409 630 HA LEU 80 HA LEU 80 7.222 -0.480 -4.572 631 1HB LEU 80 1HB LEU 80 9.576 -0.496 -2.669 632 2HB LEU 80 2HB LEU 80 8.513 0.836 -3.072 633 HG LEU 80 HG LEU 80 7.807 -1.616 -1.418 634 1HD1 LEU 80 1HD1 LEU 80 7.975 1.341 -0.704 635 2HD1 LEU 80 2HD1 LEU 80 7.538 0.011 0.394 636 3HD1 LEU 80 3HD1 LEU 80 9.170 0.096 -0.283 637 1HD2 LEU 80 1HD2 LEU 80 5.626 -0.529 -1.035 638 2HD2 LEU 80 2HD2 LEU 80 6.017 0.703 -2.266 639 3HD2 LEU 80 3HD2 LEU 80 5.810 -1.004 -2.719 640 H GLU 81 H GLU 81 8.799 1.312 -5.247 641 HA GLU 81 HA GLU 81 11.159 0.293 -6.749 642 1HB GLU 81 1HB GLU 81 8.921 2.008 -7.914 643 2HB GLU 81 2HB GLU 81 10.465 1.725 -8.698 644 1HG GLU 81 1HG GLU 81 8.325 -0.338 -8.070 645 2HG GLU 81 2HG GLU 81 8.720 0.316 -9.645 646 H GLY 82 H GLY 82 9.388 3.045 -5.279 647 1HA GLY 82 1HA GLY 82 10.184 4.998 -4.394 648 2HA GLY 82 2HA GLY 82 11.856 4.443 -4.601 649 H HIS 83 H HIS 83 9.357 4.600 -7.136 650 HA HIS 83 HA HIS 83 11.040 6.224 -8.909 651 1HB HIS 83 1HB HIS 83 9.527 4.188 -9.521 652 2HB HIS 83 2HB HIS 83 8.174 5.295 -9.344 653 HD1 HIS 83 HD1 HIS 83 7.538 6.279 -11.730 654 HD2 HIS 83 HD2 HIS 83 11.602 5.246 -11.283 655 HE1 HIS 83 HE1 HIS 83 8.604 6.624 -13.977 656 H HIS 84 H HIS 84 9.992 8.224 -9.878 657 HA HIS 84 HA HIS 84 8.351 9.731 -7.875 658 1HB HIS 84 1HB HIS 84 10.896 10.631 -9.286 659 2HB HIS 84 2HB HIS 84 9.866 11.668 -8.311 660 HD1 HIS 84 HD1 HIS 84 9.821 8.851 -6.152 661 HD2 HIS 84 HD2 HIS 84 12.771 11.575 -7.414 662 HE1 HIS 84 HE1 HIS 84 11.608 8.865 -4.333 663 H ARG 85 H ARG 85 7.925 8.474 -10.759 664 HA ARG 85 HA ARG 85 6.601 10.835 -11.948 665 1HB ARG 85 1HB ARG 85 8.339 9.075 -13.696 666 2HB ARG 85 2HB ARG 85 7.691 10.679 -14.024 667 1HG ARG 85 1HG ARG 85 9.373 11.624 -12.396 668 2HG ARG 85 2HG ARG 85 10.019 9.986 -12.187 669 1HD ARG 85 1HD ARG 85 11.431 11.029 -13.762 670 2HD ARG 85 2HD ARG 85 10.446 9.901 -14.682 671 HE ARG 85 HE ARG 85 10.273 12.870 -14.614 672 1HH1 ARG 85 1HH2 ARG 85 9.084 9.860 -16.172 673 2HH1 ARG 85 2HH2 ARG 85 8.409 10.710 -17.506 674 1HH2 ARG 85 1HH1 ARG 85 9.372 13.929 -16.413 675 2HH2 ARG 85 2HH1 ARG 85 8.603 13.042 -17.671 676 H PHE 86 H PHE 86 5.228 10.112 -13.806 677 HA PHE 86 HA PHE 86 4.974 7.173 -14.112 678 1HB PHE 86 1HB PHE 86 3.260 7.634 -15.784 679 2HB PHE 86 2HB PHE 86 2.775 8.149 -14.183 680 HD1 PHE 86 HD1 PHE 86 3.863 9.360 -17.551 681 HD2 PHE 86 HD2 PHE 86 2.268 10.444 -13.696 682 HE1 PHE 86 HE1 PHE 86 3.321 11.618 -18.416 683 HE2 PHE 86 HE2 PHE 86 1.775 12.732 -14.555 684 HZ PHE 86 HZ PHE 86 2.284 13.313 -16.918 685 H SER 87 H SER 87 6.116 6.378 -15.888 686 HA SER 87 HA SER 87 7.338 8.343 -17.786 687 1HB SER 87 1HB SER 87 8.687 5.991 -16.418 688 2HB SER 87 2HB SER 87 9.386 6.921 -17.754 689 HG SER 87 HG SER 87 10.077 7.648 -15.700 690 H ILE 88 H ILE 88 8.162 7.264 -19.815 691 HA ILE 88 HA ILE 88 6.391 5.082 -20.718 692 HB ILE 88 HB ILE 88 6.656 7.792 -22.116 693 1HG1 ILE 88 1HG1 ILE 88 4.384 6.664 -20.450 694 2HG1 ILE 88 2HG1 ILE 88 5.275 8.153 -20.159 695 1HG2 ILE 88 1HG2 ILE 88 4.825 5.434 -22.718 696 2HG2 ILE 88 2HG2 ILE 88 5.011 6.913 -23.683 697 3HG2 ILE 88 3HG2 ILE 88 6.344 5.774 -23.581 698 1HD1 ILE 88 1HD1 ILE 88 3.244 7.656 -22.362 699 2HD1 ILE 88 2HD1 ILE 88 3.093 8.716 -20.959 700 3HD1 ILE 88 3HD1 ILE 88 4.261 9.118 -22.238 701 H VAL 89 H VAL 89 7.632 3.689 -21.858 702 HA VAL 89 HA VAL 89 10.183 4.593 -23.065 703 HB VAL 89 HB VAL 89 10.659 3.911 -20.778 704 1HG1 VAL 89 1HG1 VAL 89 9.411 1.226 -21.439 705 2HG1 VAL 89 2HG1 VAL 89 10.408 1.552 -20.015 706 3HG1 VAL 89 3HG1 VAL 89 8.872 2.394 -20.213 707 1HG2 VAL 89 1HG2 VAL 89 12.330 3.408 -22.551 708 2HG2 VAL 89 2HG2 VAL 89 12.432 2.359 -21.134 709 3HG2 VAL 89 3HG2 VAL 89 11.702 1.736 -22.619 710 H TYR 90 H TYR 90 11.033 2.900 -24.559 711 HA TYR 90 HA TYR 90 9.010 0.992 -25.580 712 1HB TYR 90 1HB TYR 90 8.759 3.260 -26.724 713 2HB TYR 90 2HB TYR 90 10.365 3.027 -27.386 714 HD1 TYR 90 HD1 TYR 90 6.861 1.756 -27.355 715 HD2 TYR 90 HD2 TYR 90 10.714 1.536 -29.292 716 HE1 TYR 90 HE1 TYR 90 5.835 0.533 -29.248 717 HE2 TYR 90 HE2 TYR 90 9.701 0.302 -31.179 718 HH TYR 90 HH TYR 90 7.744 -0.588 -32.082 719 H SER 91 H SER 91 12.371 2.121 -25.460 720 HA SER 91 HA SER 91 13.689 0.292 -27.038 721 1HB SER 91 1HB SER 91 14.625 1.259 -24.311 722 2HB SER 91 2HB SER 91 15.617 0.826 -25.710 723 HG SER 91 HG SER 91 15.359 3.115 -25.508
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