NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24884 | 2k5d | 15829 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -22.110 31.912 -17.471 2 H2 MET 1 2H MET 1 -23.204 33.145 -17.855 3 H3 MET 1 3H MET 1 -21.956 32.763 -18.924 4 HA MET 1 HA MET 1 -24.174 30.963 -18.167 5 HB2 MET 1 2HB MET 1 -25.097 32.708 -19.497 6 HB3 MET 1 1HB MET 1 -23.736 32.681 -20.609 7 HG2 MET 1 2HG MET 1 -25.832 31.659 -21.490 8 HG3 MET 1 1HG MET 1 -24.419 30.606 -21.534 9 HE1 MET 1 3HE MET 1 -27.186 27.979 -20.887 10 HE2 MET 1 1HE MET 1 -25.749 28.391 -21.822 11 HE3 MET 1 2HE MET 1 -27.211 29.364 -21.979 12 H MET 2 H MET 2 -23.191 29.043 -18.014 13 HA MET 2 HA MET 2 -22.446 27.720 -20.422 14 HB2 MET 2 2HB MET 2 -20.167 27.090 -19.871 15 HB3 MET 2 1HB MET 2 -20.284 28.841 -19.925 16 HG2 MET 2 2HG MET 2 -20.279 27.175 -17.413 17 HG3 MET 2 1HG MET 2 -18.895 28.041 -18.072 18 HE1 MET 2 3HE MET 2 -20.089 28.315 -15.070 19 HE2 MET 2 1HE MET 2 -19.923 30.054 -14.830 20 HE3 MET 2 2HE MET 2 -18.634 29.147 -15.620 21 H ARG 3 H ARG 3 -22.721 25.489 -20.194 22 HA ARG 3 HA ARG 3 -23.909 24.705 -17.645 23 HB2 ARG 3 2HB ARG 3 -23.811 23.128 -20.221 24 HB3 ARG 3 1HB ARG 3 -24.818 22.797 -18.815 25 HG2 ARG 3 2HG ARG 3 -25.805 25.129 -19.217 26 HG3 ARG 3 1HG ARG 3 -25.047 25.029 -20.807 27 HD2 ARG 3 2HD ARG 3 -27.231 24.245 -21.163 28 HD3 ARG 3 1HD ARG 3 -26.266 22.774 -21.034 29 HE ARG 3 HE ARG 3 -27.516 23.718 -18.584 30 HH11 ARG 3 1HH1 ARG 3 -27.608 21.490 -21.221 31 HH12 ARG 3 2HH1 ARG 3 -28.821 20.508 -20.478 32 HH21 ARG 3 1HH2 ARG 3 -29.069 22.440 -17.661 33 HH22 ARG 3 2HH2 ARG 3 -29.636 21.038 -18.498 34 H LEU 4 H LEU 4 -22.864 23.620 -16.164 35 HA LEU 4 HA LEU 4 -20.386 22.196 -16.855 36 HB2 LEU 4 2HB LEU 4 -21.505 23.136 -14.212 37 HB3 LEU 4 1HB LEU 4 -20.112 22.079 -14.324 38 HG LEU 4 HG LEU 4 -19.310 24.299 -13.988 39 HD11 LEU 4 1HD1 LEU 4 -17.902 24.640 -15.934 40 HD12 LEU 4 2HD1 LEU 4 -18.950 23.601 -16.901 41 HD13 LEU 4 3HD1 LEU 4 -18.031 22.921 -15.557 42 HD21 LEU 4 3HD2 LEU 4 -21.287 25.541 -14.689 43 HD22 LEU 4 1HD2 LEU 4 -20.956 25.144 -16.376 44 HD23 LEU 4 2HD2 LEU 4 -19.838 26.167 -15.473 45 H ALA 5 H ALA 5 -20.199 20.031 -16.760 46 HA ALA 5 HA ALA 5 -22.418 18.332 -16.662 47 HB1 ALA 5 3HB ALA 5 -20.816 16.500 -16.667 48 HB2 ALA 5 1HB ALA 5 -19.524 17.607 -16.196 49 HB3 ALA 5 2HB ALA 5 -20.299 17.776 -17.771 50 H ASN 6 H ASN 6 -23.622 17.675 -14.993 51 HA ASN 6 HA ASN 6 -22.719 18.111 -12.264 52 HB2 ASN 6 2HB ASN 6 -25.022 17.522 -11.635 53 HB3 ASN 6 1HB ASN 6 -24.994 18.757 -12.886 54 HD21 ASN 6 1HD2 ASN 6 -27.119 16.923 -12.167 55 HD22 ASN 6 2HD2 ASN 6 -27.478 16.018 -13.597 56 H GLY 7 H GLY 7 -22.355 15.617 -14.397 57 HA2 GLY 7 2HA GLY 7 -21.766 13.742 -12.234 58 HA3 GLY 7 1HA GLY 7 -22.964 13.222 -13.408 59 H ILE 8 H ILE 8 -21.760 11.522 -14.223 60 HA ILE 8 HA ILE 8 -19.189 12.199 -15.503 61 HB ILE 8 HB ILE 8 -18.712 9.774 -15.505 62 HG12 ILE 8 2HG1 ILE 8 -21.270 9.550 -13.881 63 HG13 ILE 8 1HG1 ILE 8 -21.043 8.948 -15.520 64 HG21 ILE 8 1HG2 ILE 8 -17.870 11.151 -13.699 65 HG22 ILE 8 2HG2 ILE 8 -18.307 9.557 -13.084 66 HG23 ILE 8 3HG2 ILE 8 -19.370 10.936 -12.795 67 HD11 ILE 8 3HD1 ILE 8 -20.899 7.148 -13.907 68 HD12 ILE 8 1HD1 ILE 8 -19.593 7.978 -13.061 69 HD13 ILE 8 2HD1 ILE 8 -19.344 7.385 -14.704 70 H VAL 9 H VAL 9 -18.793 11.661 -17.641 71 HA VAL 9 HA VAL 9 -21.046 11.479 -19.399 72 HB VAL 9 HB VAL 9 -18.099 11.126 -20.023 73 HG11 VAL 9 1HG1 VAL 9 -20.439 11.666 -21.859 74 HG12 VAL 9 2HG1 VAL 9 -19.473 10.191 -21.791 75 HG13 VAL 9 3HG1 VAL 9 -18.741 11.700 -22.339 76 HG21 VAL 9 3HG2 VAL 9 -19.840 13.592 -20.213 77 HG22 VAL 9 1HG2 VAL 9 -18.152 13.473 -20.715 78 HG23 VAL 9 2HG2 VAL 9 -18.579 13.304 -19.013 79 H LEU 10 H LEU 10 -18.340 9.243 -18.754 80 HA LEU 10 HA LEU 10 -20.160 6.980 -19.275 81 HB2 LEU 10 2HB LEU 10 -17.283 7.206 -20.182 82 HB3 LEU 10 1HB LEU 10 -18.250 5.747 -20.281 83 HG LEU 10 HG LEU 10 -18.830 8.326 -21.758 84 HD11 LEU 10 1HD1 LEU 10 -17.750 5.698 -22.780 85 HD12 LEU 10 2HD1 LEU 10 -16.826 7.187 -22.592 86 HD13 LEU 10 3HD1 LEU 10 -18.146 7.113 -23.757 87 HD21 LEU 10 3HD2 LEU 10 -20.172 5.618 -21.905 88 HD22 LEU 10 1HD2 LEU 10 -20.503 6.986 -22.971 89 HD23 LEU 10 2HD2 LEU 10 -20.874 7.098 -21.252 90 H ASP 11 H ASP 11 -19.264 4.898 -18.338 91 HA ASP 11 HA ASP 11 -17.972 5.440 -15.743 92 HB2 ASP 11 2HB ASP 11 -19.007 3.328 -14.991 93 HB3 ASP 11 1HB ASP 11 -20.214 4.461 -15.593 94 H LYS 12 H LYS 12 -16.229 4.134 -15.024 95 HA LYS 12 HA LYS 12 -15.063 2.331 -17.065 96 HB2 LYS 12 2HB LYS 12 -12.842 3.070 -16.459 97 HB3 LYS 12 1HB LYS 12 -13.816 4.467 -16.895 98 HG2 LYS 12 2HG LYS 12 -14.204 4.828 -14.433 99 HG3 LYS 12 1HG LYS 12 -12.991 3.583 -14.138 100 HD2 LYS 12 2HD LYS 12 -11.382 4.952 -15.497 101 HD3 LYS 12 1HD LYS 12 -12.604 6.223 -15.555 102 HE2 LYS 12 2HE LYS 12 -11.244 5.115 -13.097 103 HE3 LYS 12 1HE LYS 12 -11.047 6.724 -13.787 104 HZ1 LYS 12 3HZ LYS 12 -13.282 7.262 -13.201 105 HZ2 LYS 12 1HZ LYS 12 -12.517 6.646 -11.823 106 HZ3 LYS 12 2HZ LYS 12 -13.607 5.684 -12.695 107 H ASP 13 H ASP 13 -14.045 0.435 -16.323 108 HA ASP 13 HA ASP 13 -15.030 -0.456 -13.725 109 HB2 ASP 13 2HB ASP 13 -14.421 -2.707 -14.492 110 HB3 ASP 13 1HB ASP 13 -15.425 -1.877 -15.675 111 H THR 14 H THR 14 -12.465 1.275 -14.308 112 HA THR 14 HA THR 14 -10.224 -0.147 -13.337 113 HB THR 14 HB THR 14 -9.211 2.021 -12.861 114 HG1 THR 14 HG1 THR 14 -10.474 3.578 -12.198 115 HG21 THR 14 3HG2 THR 14 -9.486 3.116 -15.050 116 HG22 THR 14 1HG2 THR 14 -10.910 2.122 -15.364 117 HG23 THR 14 2HG2 THR 14 -9.323 1.369 -15.217 118 H THR 15 H THR 15 -12.982 1.175 -11.726 119 HA THR 15 HA THR 15 -11.884 1.495 -9.127 120 HB THR 15 HB THR 15 -14.173 1.613 -8.314 121 HG1 THR 15 HG1 THR 15 -15.618 0.413 -9.267 122 HG21 THR 15 3HG2 THR 15 -15.045 3.406 -9.764 123 HG22 THR 15 1HG2 THR 15 -13.877 2.959 -11.009 124 HG23 THR 15 2HG2 THR 15 -13.318 3.593 -9.459 125 H PHE 16 H PHE 16 -12.372 -1.310 -10.887 126 HA PHE 16 HA PHE 16 -12.069 -3.512 -10.365 127 HB2 PHE 16 2HB PHE 16 -10.645 -2.310 -8.454 128 HB3 PHE 16 1HB PHE 16 -11.911 -2.949 -7.420 129 HD1 PHE 16 HD1 PHE 16 -9.377 -3.941 -9.947 130 HD2 PHE 16 HD2 PHE 16 -11.785 -5.161 -6.648 131 HE1 PHE 16 HE1 PHE 16 -8.140 -6.063 -9.831 132 HE2 PHE 16 HE2 PHE 16 -10.552 -7.286 -6.532 133 HZ PHE 16 HZ PHE 16 -8.720 -7.734 -8.123 134 H GLY 17 H GLY 17 -13.749 -2.226 -7.524 135 HA2 GLY 17 2HA GLY 17 -16.359 -3.015 -8.410 136 HA3 GLY 17 1HA GLY 17 -15.751 -4.057 -7.122 137 H GLU 18 H GLU 18 -16.398 -3.380 -5.114 138 HA GLU 18 HA GLU 18 -16.264 -0.488 -4.577 139 HB2 GLU 18 2HB GLU 18 -17.347 -2.766 -2.895 140 HB3 GLU 18 1HB GLU 18 -17.184 -1.118 -2.309 141 HG2 GLU 18 2HG GLU 18 -18.720 -0.384 -4.135 142 HG3 GLU 18 1HG GLU 18 -18.964 -2.084 -4.541 143 H LEU 19 H LEU 19 -14.169 0.069 -4.245 144 HA LEU 19 HA LEU 19 -12.462 -1.643 -2.586 145 HB2 LEU 19 2HB LEU 19 -11.840 0.881 -4.136 146 HB3 LEU 19 1HB LEU 19 -10.669 -0.016 -3.189 147 HG LEU 19 HG LEU 19 -12.112 -1.049 -5.641 148 HD11 LEU 19 1HD1 LEU 19 -10.444 0.645 -6.180 149 HD12 LEU 19 2HD1 LEU 19 -9.917 -0.951 -6.711 150 HD13 LEU 19 3HD1 LEU 19 -9.230 -0.236 -5.251 151 HD21 LEU 19 3HD2 LEU 19 -10.602 -2.978 -5.457 152 HD22 LEU 19 1HD2 LEU 19 -11.659 -2.843 -4.052 153 HD23 LEU 19 2HD2 LEU 19 -9.973 -2.341 -3.937 154 H LYS 20 H LYS 20 -12.705 -1.359 -0.461 155 HA LYS 20 HA LYS 20 -13.069 1.391 0.545 156 HB2 LYS 20 2HB LYS 20 -14.479 -1.129 1.447 157 HB3 LYS 20 1HB LYS 20 -14.509 0.376 2.356 158 HG2 LYS 20 2HG LYS 20 -15.497 1.516 0.400 159 HG3 LYS 20 1HG LYS 20 -15.537 -0.025 -0.454 160 HD2 LYS 20 2HD LYS 20 -16.966 0.509 2.157 161 HD3 LYS 20 1HD LYS 20 -17.716 0.663 0.569 162 HE2 LYS 20 2HE LYS 20 -17.175 -1.732 0.144 163 HE3 LYS 20 1HE LYS 20 -16.577 -1.846 1.800 164 HZ1 LYS 20 3HZ LYS 20 -18.816 -2.632 1.732 165 HZ2 LYS 20 1HZ LYS 20 -19.358 -1.233 0.948 166 HZ3 LYS 20 2HZ LYS 20 -18.816 -1.157 2.547 167 H PHE 21 H PHE 21 -11.911 2.030 2.240 168 HA PHE 21 HA PHE 21 -9.449 0.752 2.712 169 HB2 PHE 21 2HB PHE 21 -9.832 3.200 2.798 170 HB3 PHE 21 1HB PHE 21 -10.732 2.995 4.294 171 HD1 PHE 21 HD1 PHE 21 -7.387 2.548 2.760 172 HD2 PHE 21 HD2 PHE 21 -9.623 2.942 6.363 173 HE1 PHE 21 HE1 PHE 21 -5.294 2.773 4.030 174 HE2 PHE 21 HE2 PHE 21 -7.533 3.171 7.639 175 HZ PHE 21 HZ PHE 21 -5.364 3.087 6.474 176 H SER 22 H SER 22 -8.597 -0.380 4.417 177 HA SER 22 HA SER 22 -10.377 -0.961 6.709 178 HB2 SER 22 2HB SER 22 -8.401 -2.821 5.363 179 HB3 SER 22 1HB SER 22 -9.168 -3.160 6.913 180 HG SER 22 HG SER 22 -10.313 -4.126 5.207 181 H ALA 23 H ALA 23 -6.897 -1.225 5.867 182 HA ALA 23 HA ALA 23 -6.160 0.539 8.034 183 HB1 ALA 23 3HB ALA 23 -5.343 -2.365 8.199 184 HB2 ALA 23 1HB ALA 23 -6.529 -1.578 9.239 185 HB3 ALA 23 2HB ALA 23 -4.840 -1.075 9.291 186 H LEU 24 H LEU 24 -3.633 0.460 8.292 187 HA LEU 24 HA LEU 24 -2.373 0.204 5.642 188 HB2 LEU 24 2HB LEU 24 -2.102 2.367 6.760 189 HB3 LEU 24 1HB LEU 24 -1.425 1.574 8.169 190 HG LEU 24 HG LEU 24 0.495 0.812 6.757 191 HD11 LEU 24 1HD1 LEU 24 -0.719 2.638 4.685 192 HD12 LEU 24 2HD1 LEU 24 -0.561 0.885 4.567 193 HD13 LEU 24 3HD1 LEU 24 0.881 1.901 4.597 194 HD21 LEU 24 3HD2 LEU 24 0.659 2.790 8.182 195 HD22 LEU 24 1HD2 LEU 24 0.064 3.797 6.860 196 HD23 LEU 24 2HD2 LEU 24 1.616 2.971 6.713 197 H ARG 25 H ARG 25 -1.713 -1.868 5.381 198 HA ARG 25 HA ARG 25 -1.263 -3.691 7.453 199 HB2 ARG 25 2HB ARG 25 -1.849 -4.366 5.170 200 HB3 ARG 25 1HB ARG 25 -0.288 -3.806 4.589 201 HG2 ARG 25 2HG ARG 25 -0.474 -6.277 4.864 202 HG3 ARG 25 1HG ARG 25 0.864 -5.545 5.746 203 HD2 ARG 25 2HD ARG 25 -0.548 -7.323 6.949 204 HD3 ARG 25 1HD ARG 25 -0.185 -5.832 7.817 205 HE ARG 25 HE ARG 25 -2.630 -5.469 6.537 206 HH11 ARG 25 1HH1 ARG 25 -1.360 -7.613 8.922 207 HH12 ARG 25 2HH1 ARG 25 -2.827 -7.625 9.834 208 HH21 ARG 25 1HH2 ARG 25 -4.475 -5.474 7.715 209 HH22 ARG 25 2HH2 ARG 25 -4.584 -6.431 9.156 210 H ARG 26 H ARG 26 1.220 -2.240 5.313 211 HA ARG 26 HA ARG 26 3.080 -1.891 7.434 212 HB2 ARG 26 2HB ARG 26 3.284 -4.306 7.321 213 HB3 ARG 26 1HB ARG 26 3.527 -4.245 5.580 214 HG2 ARG 26 2HG ARG 26 5.652 -3.100 5.895 215 HG3 ARG 26 1HG ARG 26 5.402 -3.091 7.640 216 HD2 ARG 26 2HD ARG 26 5.433 -5.538 7.662 217 HD3 ARG 26 1HD ARG 26 5.663 -5.557 5.912 218 HE ARG 26 HE ARG 26 7.668 -4.072 7.357 219 HH11 ARG 26 1HH1 ARG 26 6.736 -7.213 6.302 220 HH12 ARG 26 2HH1 ARG 26 8.362 -7.783 6.187 221 HH21 ARG 26 1HH2 ARG 26 9.747 -4.806 7.233 222 HH22 ARG 26 2HH2 ARG 26 10.063 -6.421 6.706 223 H GLU 27 H GLU 27 4.558 -0.398 6.869 224 HA GLU 27 HA GLU 27 4.856 0.283 4.025 225 HB2 GLU 27 2HB GLU 27 5.782 1.789 6.492 226 HB3 GLU 27 1HB GLU 27 5.883 2.371 4.833 227 HG2 GLU 27 2HG GLU 27 3.463 2.405 4.668 228 HG3 GLU 27 1HG GLU 27 3.321 1.733 6.291 229 H VAL 28 H VAL 28 6.332 -1.134 3.182 230 HA VAL 28 HA VAL 28 8.601 -2.091 4.629 231 HB VAL 28 HB VAL 28 9.340 -3.094 2.499 232 HG11 VAL 28 1HG1 VAL 28 7.700 -4.263 3.896 233 HG12 VAL 28 2HG1 VAL 28 7.439 -4.600 2.185 234 HG13 VAL 28 3HG1 VAL 28 6.386 -3.465 3.031 235 HG21 VAL 28 3HG2 VAL 28 6.969 -1.657 1.293 236 HG22 VAL 28 1HG2 VAL 28 7.963 -2.865 0.474 237 HG23 VAL 28 2HG2 VAL 28 8.668 -1.323 0.960 238 H ARG 29 H ARG 29 10.735 -1.454 4.560 239 HA ARG 29 HA ARG 29 11.158 1.225 3.398 240 HB2 ARG 29 2HB ARG 29 12.226 0.134 6.013 241 HB3 ARG 29 1HB ARG 29 12.524 1.746 5.370 242 HG2 ARG 29 2HG ARG 29 10.081 2.186 5.455 243 HG3 ARG 29 1HG ARG 29 9.859 0.611 6.220 244 HD2 ARG 29 2HD ARG 29 11.260 1.326 8.096 245 HD3 ARG 29 1HD ARG 29 11.504 2.892 7.319 246 HE ARG 29 HE ARG 29 8.747 2.154 7.804 247 HH11 ARG 29 1HH1 ARG 29 11.519 3.800 8.989 248 HH12 ARG 29 2HH1 ARG 29 10.610 4.839 10.023 249 HH21 ARG 29 1HH2 ARG 29 7.571 3.486 9.133 250 HH22 ARG 29 2HH2 ARG 29 8.382 4.678 10.088 251 H ILE 30 H ILE 30 13.552 1.832 3.373 252 HA ILE 30 HA ILE 30 14.804 0.030 1.522 253 HB ILE 30 HB ILE 30 15.933 2.586 2.703 254 HG12 ILE 30 2HG1 ILE 30 14.342 2.244 0.139 255 HG13 ILE 30 1HG1 ILE 30 13.668 2.864 1.640 256 HG21 ILE 30 1HG2 ILE 30 17.590 1.178 1.570 257 HG22 ILE 30 2HG2 ILE 30 17.281 2.652 0.653 258 HG23 ILE 30 3HG2 ILE 30 16.570 1.124 0.131 259 HD11 ILE 30 3HD1 ILE 30 15.174 4.762 1.557 260 HD12 ILE 30 1HD1 ILE 30 14.219 4.645 0.078 261 HD13 ILE 30 2HD1 ILE 30 15.907 4.132 0.079 262 H GLN 31 H GLN 31 15.981 -1.687 2.161 263 HA GLN 31 HA GLN 31 17.142 -1.816 4.813 264 HB2 GLN 31 2HB GLN 31 16.011 -3.770 3.898 265 HB3 GLN 31 1HB GLN 31 17.124 -3.810 2.537 266 HG2 GLN 31 2HG GLN 31 18.967 -4.352 4.010 267 HG3 GLN 31 1HG GLN 31 17.917 -4.204 5.419 268 HE21 GLN 31 1HE2 GLN 31 18.308 -6.318 6.052 269 HE22 GLN 31 2HE2 GLN 31 17.658 -7.674 5.205 270 H ASN 32 H ASN 32 19.253 -1.621 5.366 271 HA ASN 32 HA ASN 32 21.129 -0.628 3.397 272 HB2 ASN 32 2HB ASN 32 21.538 -1.209 6.345 273 HB3 ASN 32 1HB ASN 32 22.652 -0.326 5.308 274 HD21 ASN 32 1HD2 ASN 32 19.666 -0.219 7.043 275 HD22 ASN 32 2HD2 ASN 32 19.405 1.480 6.892 276 H GLU 33 H GLU 33 23.186 -1.585 2.907 277 HA GLU 33 HA GLU 33 23.077 -4.315 2.299 278 HB2 GLU 33 2HB GLU 33 25.496 -2.509 2.503 279 HB3 GLU 33 1HB GLU 33 25.503 -4.109 1.773 280 HG2 GLU 33 2HG GLU 33 23.841 -3.319 0.118 281 HG3 GLU 33 1HG GLU 33 23.954 -1.704 0.816 282 H ASP 34 H ASP 34 24.460 -2.668 5.074 283 HA ASP 34 HA ASP 34 25.984 -4.738 6.171 284 HB2 ASP 34 2HB ASP 34 24.461 -2.551 7.609 285 HB3 ASP 34 1HB ASP 34 25.780 -3.499 8.291 286 H GLY 35 H GLY 35 22.524 -4.257 6.172 287 HA2 GLY 35 2HA GLY 35 21.460 -6.581 6.529 288 HA3 GLY 35 1HA GLY 35 22.179 -6.444 8.125 289 H SER 36 H SER 36 21.646 -4.033 9.034 290 HA SER 36 HA SER 36 18.917 -4.161 9.735 291 HB2 SER 36 2HB SER 36 20.885 -1.885 10.092 292 HB3 SER 36 1HB SER 36 19.292 -1.959 10.844 293 HG SER 36 HG SER 36 20.516 -2.838 12.366 294 H VAL 37 H VAL 37 17.182 -2.761 9.332 295 HA VAL 37 HA VAL 37 17.146 -1.685 6.620 296 HB VAL 37 HB VAL 37 14.860 -1.979 8.585 297 HG11 VAL 37 1HG1 VAL 37 14.385 -0.374 6.815 298 HG12 VAL 37 2HG1 VAL 37 13.431 -1.840 6.589 299 HG13 VAL 37 3HG1 VAL 37 14.858 -1.554 5.592 300 HG21 VAL 37 3HG2 VAL 37 15.894 -4.144 8.120 301 HG22 VAL 37 1HG2 VAL 37 15.749 -3.853 6.387 302 HG23 VAL 37 2HG2 VAL 37 14.299 -4.035 7.374 303 H SER 38 H SER 38 16.493 0.432 6.107 304 HA SER 38 HA SER 38 17.352 2.427 8.021 305 HB2 SER 38 2HB SER 38 18.044 2.665 5.695 306 HB3 SER 38 1HB SER 38 16.360 2.698 5.168 307 HG SER 38 HG SER 38 17.881 4.736 5.950 308 H ASP 39 H ASP 39 16.062 4.546 8.027 309 HA ASP 39 HA ASP 39 13.349 3.980 8.911 310 HB2 ASP 39 2HB ASP 39 13.404 6.371 9.665 311 HB3 ASP 39 1HB ASP 39 14.666 5.365 10.364 312 H GLU 40 H GLU 40 14.854 4.947 6.053 313 HA GLU 40 HA GLU 40 12.698 6.586 5.031 314 HB2 GLU 40 2HB GLU 40 15.180 5.425 3.761 315 HB3 GLU 40 1HB GLU 40 13.990 6.348 2.848 316 HG2 GLU 40 2HG GLU 40 15.544 7.352 5.227 317 HG3 GLU 40 1HG GLU 40 15.891 7.722 3.539 318 H ILE 41 H ILE 41 11.247 6.057 3.405 319 HA ILE 41 HA ILE 41 10.283 3.321 3.643 320 HB ILE 41 HB ILE 41 9.011 5.651 2.185 321 HG12 ILE 41 2HG1 ILE 41 9.420 6.100 4.626 322 HG13 ILE 41 1HG1 ILE 41 7.720 6.097 4.171 323 HG21 ILE 41 1HG2 ILE 41 7.852 3.042 3.181 324 HG22 ILE 41 2HG2 ILE 41 8.101 3.506 1.497 325 HG23 ILE 41 3HG2 ILE 41 6.919 4.368 2.481 326 HD11 ILE 41 3HD1 ILE 41 8.124 4.976 6.303 327 HD12 ILE 41 1HD1 ILE 41 9.166 3.808 5.490 328 HD13 ILE 41 2HD1 ILE 41 7.445 3.883 5.097 329 H LYS 42 H LYS 42 9.731 1.962 1.883 330 HA LYS 42 HA LYS 42 10.969 2.622 -0.721 331 HB2 LYS 42 2HB LYS 42 11.934 0.638 0.462 332 HB3 LYS 42 1HB LYS 42 10.352 -0.128 0.406 333 HG2 LYS 42 2HG LYS 42 11.782 -0.996 -1.348 334 HG3 LYS 42 1HG LYS 42 10.429 -0.103 -2.046 335 HD2 LYS 42 2HD LYS 42 11.883 1.848 -2.371 336 HD3 LYS 42 1HD LYS 42 13.235 0.962 -1.663 337 HE2 LYS 42 2HE LYS 42 13.145 -0.659 -3.478 338 HE3 LYS 42 1HE LYS 42 11.747 0.169 -4.170 339 HZ1 LYS 42 3HZ LYS 42 13.786 0.786 -5.299 340 HZ2 LYS 42 1HZ LYS 42 14.465 1.328 -3.851 341 HZ3 LYS 42 2HZ LYS 42 13.130 2.126 -4.508 342 H GLU 43 H GLU 43 8.319 0.584 0.576 343 HA GLU 43 HA GLU 43 6.417 1.927 -1.203 344 HB2 GLU 43 2HB GLU 43 6.663 -1.084 -0.948 345 HB3 GLU 43 1HB GLU 43 5.318 -0.256 -1.721 346 HG2 GLU 43 2HG GLU 43 7.023 0.773 -3.276 347 HG3 GLU 43 1HG GLU 43 8.184 -0.372 -2.616 348 H ARG 44 H ARG 44 4.147 1.604 -0.522 349 HA ARG 44 HA ARG 44 3.910 1.000 2.366 350 HB2 ARG 44 2HB ARG 44 2.212 2.975 0.822 351 HB3 ARG 44 1HB ARG 44 2.212 2.703 2.558 352 HG2 ARG 44 2HG ARG 44 4.546 3.548 2.648 353 HG3 ARG 44 1HG ARG 44 4.441 3.916 0.924 354 HD2 ARG 44 2HD ARG 44 2.431 5.342 1.472 355 HD3 ARG 44 1HD ARG 44 2.829 5.114 3.174 356 HE ARG 44 HE ARG 44 4.665 6.396 1.256 357 HH11 ARG 44 1HH1 ARG 44 3.278 6.181 4.391 358 HH12 ARG 44 2HH1 ARG 44 4.000 7.656 4.936 359 HH21 ARG 44 1HH2 ARG 44 5.588 8.301 1.964 360 HH22 ARG 44 2HH2 ARG 44 5.289 8.839 3.579 361 H THR 45 H THR 45 2.728 -0.783 2.735 362 HA THR 45 HA THR 45 0.841 -1.737 0.696 363 HB THR 45 HB THR 45 1.844 -3.155 3.182 364 HG1 THR 45 HG1 THR 45 2.946 -2.779 0.697 365 HG21 THR 45 3HG2 THR 45 0.978 -5.192 2.067 366 HG22 THR 45 1HG2 THR 45 0.295 -4.184 0.790 367 HG23 THR 45 2HG2 THR 45 -0.306 -4.043 2.441 368 H TYR 46 H TYR 46 -1.282 -1.396 0.904 369 HA TYR 46 HA TYR 46 -2.415 -0.746 3.554 370 HB2 TYR 46 2HB TYR 46 -3.471 -0.110 0.785 371 HB3 TYR 46 1HB TYR 46 -4.251 0.339 2.295 372 HD1 TYR 46 HD2 TYR 46 -1.174 0.867 0.278 373 HD2 TYR 46 HD1 TYR 46 -3.675 2.338 3.388 374 HE1 TYR 46 HE2 TYR 46 0.076 2.978 0.272 375 HE2 TYR 46 HE1 TYR 46 -2.439 4.465 3.385 376 HH TYR 46 HH TYR 46 -0.182 5.274 0.916 377 H ASP 47 H ASP 47 -4.426 -1.613 4.169 378 HA ASP 47 HA ASP 47 -5.190 -4.160 2.930 379 HB2 ASP 47 2HB ASP 47 -6.040 -2.851 5.533 380 HB3 ASP 47 1HB ASP 47 -6.598 -4.426 4.975 381 H LEU 48 H LEU 48 -6.681 -3.975 1.318 382 HA LEU 48 HA LEU 48 -9.011 -2.207 1.802 383 HB2 LEU 48 2HB LEU 48 -7.778 -2.915 -0.870 384 HB3 LEU 48 1HB LEU 48 -9.225 -1.951 -0.647 385 HG LEU 48 HG LEU 48 -6.416 -1.187 0.178 386 HD11 LEU 48 1HD1 LEU 48 -8.239 -0.045 -1.942 387 HD12 LEU 48 2HD1 LEU 48 -6.813 -1.043 -2.231 388 HD13 LEU 48 3HD1 LEU 48 -6.638 0.557 -1.513 389 HD21 LEU 48 3HD2 LEU 48 -7.368 0.979 0.805 390 HD22 LEU 48 1HD2 LEU 48 -8.034 -0.325 1.788 391 HD23 LEU 48 2HD2 LEU 48 -8.990 0.368 0.476 392 H LYS 49 H LYS 49 -11.029 -3.123 1.615 393 HA LYS 49 HA LYS 49 -11.154 -5.950 0.805 394 HB2 LYS 49 2HB LYS 49 -13.324 -6.065 1.864 395 HB3 LYS 49 1HB LYS 49 -12.173 -5.366 2.990 396 HG2 LYS 49 2HG LYS 49 -13.662 -3.400 1.386 397 HG3 LYS 49 1HG LYS 49 -14.656 -4.376 2.463 398 HD2 LYS 49 2HD LYS 49 -12.199 -2.849 3.340 399 HD3 LYS 49 1HD LYS 49 -13.846 -2.228 3.456 400 HE2 LYS 49 2HE LYS 49 -14.451 -4.124 4.905 401 HE3 LYS 49 1HE LYS 49 -12.796 -4.728 4.798 402 HZ1 LYS 49 3HZ LYS 49 -13.597 -2.107 5.936 403 HZ2 LYS 49 1HZ LYS 49 -12.022 -2.724 5.863 404 HZ3 LYS 49 2HZ LYS 49 -13.184 -3.480 6.836 405 H SER 50 H SER 50 -12.396 -6.665 -0.893 406 HA SER 50 HA SER 50 -13.777 -4.626 -2.519 407 HB2 SER 50 2HB SER 50 -12.872 -5.663 -4.567 408 HB3 SER 50 1HB SER 50 -11.584 -5.052 -3.531 409 HG SER 50 HG SER 50 -10.889 -7.030 -3.214 410 H LYS 51 H LYS 51 -15.537 -5.348 -3.748 411 HA LYS 51 HA LYS 51 -16.892 -7.678 -2.718 412 HB2 LYS 51 2HB LYS 51 -17.662 -5.651 -4.829 413 HB3 LYS 51 1HB LYS 51 -18.695 -6.988 -4.348 414 HG2 LYS 51 2HG LYS 51 -17.730 -4.776 -2.539 415 HG3 LYS 51 1HG LYS 51 -19.339 -4.909 -3.248 416 HD2 LYS 51 2HD LYS 51 -19.578 -7.116 -2.064 417 HD3 LYS 51 1HD LYS 51 -18.062 -6.763 -1.230 418 HE2 LYS 51 2HE LYS 51 -19.971 -6.170 0.162 419 HE3 LYS 51 1HE LYS 51 -19.064 -4.728 -0.286 420 HZ1 LYS 51 3HZ LYS 51 -21.561 -5.656 -1.608 421 HZ2 LYS 51 1HZ LYS 51 -20.705 -4.244 -1.977 422 HZ3 LYS 51 2HZ LYS 51 -21.465 -4.408 -0.474 423 H GLY 52 H GLY 52 -16.714 -9.679 -3.513 424 HA2 GLY 52 2HA GLY 52 -17.046 -10.523 -6.095 425 HA3 GLY 52 1HA GLY 52 -15.322 -10.208 -5.982 426 H GLN 53 H GLN 53 -14.014 -11.629 -4.887 427 HA GLN 53 HA GLN 53 -15.204 -14.237 -4.321 428 HB2 GLN 53 2HB GLN 53 -12.300 -13.417 -4.559 429 HB3 GLN 53 1HB GLN 53 -12.882 -15.067 -4.382 430 HG2 GLN 53 2HG GLN 53 -13.445 -13.229 -6.707 431 HG3 GLN 53 1HG GLN 53 -12.297 -14.566 -6.692 432 HE21 GLN 53 1HE2 GLN 53 -13.083 -16.684 -6.720 433 HE22 GLN 53 2HE2 GLN 53 -14.708 -17.048 -7.171 434 H GLY 54 H GLY 54 -14.528 -11.561 -2.511 435 HA2 GLY 54 2HA GLY 54 -14.654 -11.283 -0.212 436 HA3 GLY 54 1HA GLY 54 -14.742 -13.026 -0.039 437 H ARG 55 H ARG 55 -12.140 -11.270 -1.661 438 HA ARG 55 HA ARG 55 -10.293 -12.229 0.430 439 HB2 ARG 55 2HB ARG 55 -10.026 -11.953 -2.534 440 HB3 ARG 55 1HB ARG 55 -8.584 -11.771 -1.548 441 HG2 ARG 55 2HG ARG 55 -10.401 -14.183 -1.476 442 HG3 ARG 55 1HG ARG 55 -8.917 -14.066 -2.424 443 HD2 ARG 55 2HD ARG 55 -7.655 -13.650 -0.332 444 HD3 ARG 55 1HD ARG 55 -9.144 -13.881 0.584 445 HE ARG 55 HE ARG 55 -8.996 -16.181 -0.756 446 HH11 ARG 55 1HH1 ARG 55 -6.602 -14.455 1.023 447 HH12 ARG 55 2HH1 ARG 55 -5.738 -15.887 1.461 448 HH21 ARG 55 1HH2 ARG 55 -7.882 -18.007 -0.169 449 HH22 ARG 55 2HH2 ARG 55 -6.459 -17.868 0.804 450 H MET 56 H MET 56 -9.257 -10.786 1.648 451 HA MET 56 HA MET 56 -9.342 -7.968 1.143 452 HB2 MET 56 2HB MET 56 -7.816 -7.797 3.097 453 HB3 MET 56 1HB MET 56 -9.247 -8.759 3.431 454 HG2 MET 56 2HG MET 56 -7.934 -10.810 3.146 455 HG3 MET 56 1HG MET 56 -6.499 -9.838 2.824 456 HE1 MET 56 3HE MET 56 -9.169 -10.892 5.518 457 HE2 MET 56 1HE MET 56 -9.365 -9.140 5.452 458 HE3 MET 56 2HE MET 56 -8.693 -9.898 6.896 459 H ILE 57 H ILE 57 -8.059 -6.850 -0.219 460 HA ILE 57 HA ILE 57 -5.822 -8.291 -1.451 461 HB ILE 57 HB ILE 57 -5.925 -6.616 -3.233 462 HG12 ILE 57 2HG1 ILE 57 -8.230 -5.416 -1.658 463 HG13 ILE 57 1HG1 ILE 57 -6.653 -4.671 -1.898 464 HG21 ILE 57 1HG2 ILE 57 -8.603 -7.834 -2.541 465 HG22 ILE 57 2HG2 ILE 57 -7.296 -8.603 -3.441 466 HG23 ILE 57 3HG2 ILE 57 -8.146 -7.222 -4.132 467 HD11 ILE 57 3HD1 ILE 57 -7.076 -4.531 -4.292 468 HD12 ILE 57 1HD1 ILE 57 -8.330 -3.707 -3.366 469 HD13 ILE 57 2HD1 ILE 57 -8.651 -5.294 -4.065 470 H GLN 58 H GLN 58 -3.727 -7.636 -1.410 471 HA GLN 58 HA GLN 58 -3.044 -5.469 0.443 472 HB2 GLN 58 2HB GLN 58 -1.288 -7.516 -0.939 473 HB3 GLN 58 1HB GLN 58 -0.754 -6.377 0.291 474 HG2 GLN 58 2HG GLN 58 -2.859 -8.489 0.739 475 HG3 GLN 58 1HG GLN 58 -1.152 -8.688 1.130 476 HE21 GLN 58 1HE2 GLN 58 -4.102 -7.014 1.972 477 HE22 GLN 58 2HE2 GLN 58 -3.564 -6.449 3.513 478 H VAL 59 H VAL 59 -3.072 -3.496 -0.509 479 HA VAL 59 HA VAL 59 -2.069 -3.207 -3.259 480 HB VAL 59 HB VAL 59 -3.585 -1.225 -1.541 481 HG11 VAL 59 1HG1 VAL 59 -2.152 -0.076 -3.149 482 HG12 VAL 59 2HG1 VAL 59 -3.844 0.075 -3.617 483 HG13 VAL 59 3HG1 VAL 59 -2.797 -1.067 -4.459 484 HG21 VAL 59 3HG2 VAL 59 -4.939 -3.160 -2.180 485 HG22 VAL 59 1HG2 VAL 59 -4.507 -2.916 -3.874 486 HG23 VAL 59 2HG2 VAL 59 -5.477 -1.709 -3.027 487 H SER 60 H SER 60 -0.022 -2.617 -3.545 488 HA SER 60 HA SER 60 1.325 -1.059 -1.422 489 HB2 SER 60 2HB SER 60 2.277 -3.310 -1.794 490 HB3 SER 60 1HB SER 60 2.586 -2.896 -3.479 491 HG SER 60 HG SER 60 4.258 -1.728 -2.897 492 H ILE 61 H ILE 61 1.861 0.965 -1.878 493 HA ILE 61 HA ILE 61 2.284 1.750 -4.703 494 HB ILE 61 HB ILE 61 1.685 4.057 -4.037 495 HG12 ILE 61 2HG1 ILE 61 0.929 2.795 -1.382 496 HG13 ILE 61 1HG1 ILE 61 2.275 3.900 -1.643 497 HG21 ILE 61 1HG2 ILE 61 -0.003 2.597 -5.015 498 HG22 ILE 61 2HG2 ILE 61 -0.730 3.690 -3.837 499 HG23 ILE 61 3HG2 ILE 61 -0.441 2.000 -3.412 500 HD11 ILE 61 3HD1 ILE 61 0.695 5.661 -2.258 501 HD12 ILE 61 1HD1 ILE 61 0.394 5.039 -0.638 502 HD13 ILE 61 2HD1 ILE 61 -0.645 4.552 -1.975 503 HA PRO 62 HA PRO 62 6.507 2.602 -3.763 504 HB2 PRO 62 2HB PRO 62 7.015 4.738 -5.408 505 HB3 PRO 62 1HB PRO 62 6.897 3.067 -5.969 506 HG2 PRO 62 2HG PRO 62 4.826 5.237 -6.026 507 HG3 PRO 62 1HG PRO 62 5.245 4.060 -7.286 508 HD2 PRO 62 2HD PRO 62 3.082 3.743 -5.713 509 HD3 PRO 62 1HD PRO 62 4.046 2.353 -6.262 510 H ALA 63 H ALA 63 7.977 4.092 -2.764 511 HA ALA 63 HA ALA 63 6.918 5.507 -0.610 512 HB1 ALA 63 3HB ALA 63 9.174 6.236 -0.146 513 HB2 ALA 63 1HB ALA 63 9.670 5.853 -1.795 514 HB3 ALA 63 2HB ALA 63 9.191 4.560 -0.696 515 H SER 64 H SER 64 7.850 6.702 -3.793 516 HA SER 64 HA SER 64 7.925 9.452 -3.266 517 HB2 SER 64 2HB SER 64 7.019 8.056 -5.802 518 HB3 SER 64 1HB SER 64 7.436 9.766 -5.680 519 HG SER 64 HG SER 64 9.067 7.551 -5.814 520 H VAL 65 H VAL 65 5.225 7.325 -3.324 521 HA VAL 65 HA VAL 65 3.274 9.477 -3.601 522 HB VAL 65 HB VAL 65 2.800 6.533 -3.055 523 HG11 VAL 65 1HG1 VAL 65 0.511 6.986 -3.807 524 HG12 VAL 65 2HG1 VAL 65 0.906 8.696 -3.990 525 HG13 VAL 65 3HG1 VAL 65 0.921 7.953 -2.390 526 HG21 VAL 65 3HG2 VAL 65 2.712 8.027 -5.680 527 HG22 VAL 65 1HG2 VAL 65 2.298 6.330 -5.436 528 HG23 VAL 65 2HG2 VAL 65 3.958 6.877 -5.190 529 HA PRO 66 HA PRO 66 3.302 10.077 0.850 530 HB2 PRO 66 2HB PRO 66 1.214 11.813 1.006 531 HB3 PRO 66 1HB PRO 66 2.811 12.287 0.413 532 HG2 PRO 66 2HG PRO 66 0.358 11.537 -1.147 533 HG3 PRO 66 1HG PRO 66 1.477 12.887 -1.412 534 HD2 PRO 66 2HD PRO 66 1.610 10.605 -2.857 535 HD3 PRO 66 1HD PRO 66 3.058 11.540 -2.436 536 H LEU 67 H LEU 67 1.934 9.689 2.706 537 HA LEU 67 HA LEU 67 0.165 7.460 2.445 538 HB2 LEU 67 2HB LEU 67 1.633 7.825 4.393 539 HB3 LEU 67 1HB LEU 67 0.724 9.264 4.808 540 HG LEU 67 HG LEU 67 -1.298 7.822 5.163 541 HD11 LEU 67 1HD1 LEU 67 -0.692 5.932 3.781 542 HD12 LEU 67 2HD1 LEU 67 -0.961 5.411 5.444 543 HD13 LEU 67 3HD1 LEU 67 0.685 5.573 4.826 544 HD21 LEU 67 3HD2 LEU 67 -0.583 6.947 7.316 545 HD22 LEU 67 1HD2 LEU 67 0.091 8.552 7.038 546 HD23 LEU 67 2HD2 LEU 67 1.110 7.123 6.846 547 H LYS 68 H LYS 68 -2.080 7.370 2.618 548 HA LYS 68 HA LYS 68 -3.495 9.962 2.643 549 HB2 LYS 68 2HB LYS 68 -4.311 7.343 1.376 550 HB3 LYS 68 1HB LYS 68 -5.384 8.727 1.539 551 HG2 LYS 68 2HG LYS 68 -4.607 8.907 -0.642 552 HG3 LYS 68 1HG LYS 68 -3.574 10.029 0.245 553 HD2 LYS 68 2HD LYS 68 -1.862 8.204 0.394 554 HD3 LYS 68 1HD LYS 68 -2.881 7.235 -0.672 555 HE2 LYS 68 2HE LYS 68 -1.613 9.895 -1.313 556 HE3 LYS 68 1HE LYS 68 -1.145 8.328 -1.963 557 HZ1 LYS 68 3HZ LYS 68 -3.430 8.212 -2.932 558 HZ2 LYS 68 1HZ LYS 68 -2.446 9.421 -3.586 559 HZ3 LYS 68 2HZ LYS 68 -3.652 9.821 -2.476 560 H GLU 69 H GLU 69 -4.198 10.362 4.611 561 HA GLU 69 HA GLU 69 -4.915 8.353 6.524 562 HB2 GLU 69 2HB GLU 69 -5.297 11.353 6.523 563 HB3 GLU 69 1HB GLU 69 -5.552 10.315 7.918 564 HG2 GLU 69 2HG GLU 69 -2.895 10.333 6.536 565 HG3 GLU 69 1HG GLU 69 -3.322 11.634 7.642 566 H PHE 70 H PHE 70 -6.599 7.303 5.106 567 HA PHE 70 HA PHE 70 -9.140 8.760 4.935 568 HB2 PHE 70 2HB PHE 70 -8.274 6.088 3.814 569 HB3 PHE 70 1HB PHE 70 -9.915 6.703 3.681 570 HD1 PHE 70 HD1 PHE 70 -9.283 9.597 3.165 571 HD2 PHE 70 HD2 PHE 70 -7.624 6.018 1.551 572 HE1 PHE 70 HE1 PHE 70 -8.696 10.800 1.106 573 HE2 PHE 70 HE2 PHE 70 -7.024 7.226 -0.508 574 HZ PHE 70 HZ PHE 70 -7.562 9.619 -0.732 575 H ASP 71 H ASP 71 -11.130 7.882 5.728 576 HA ASP 71 HA ASP 71 -10.872 6.571 8.287 577 HB2 ASP 71 2HB ASP 71 -13.377 6.862 8.356 578 HB3 ASP 71 1HB ASP 71 -12.462 8.352 8.160 579 H TYR 72 H TYR 72 -12.592 4.810 8.812 580 HA TYR 72 HA TYR 72 -11.800 2.532 7.311 581 HB2 TYR 72 2HB TYR 72 -12.334 2.586 9.787 582 HB3 TYR 72 1HB TYR 72 -14.039 2.619 9.345 583 HD1 TYR 72 HD2 TYR 72 -10.923 0.609 9.024 584 HD2 TYR 72 HD1 TYR 72 -15.176 0.605 8.839 585 HE1 TYR 72 HE2 TYR 72 -10.907 -1.842 8.850 586 HE2 TYR 72 HE1 TYR 72 -15.168 -1.846 8.664 587 HH TYR 72 HH TYR 72 -12.488 -3.751 9.328 588 H ASN 73 H ASN 73 -12.724 1.494 5.682 589 HA ASN 73 HA ASN 73 -14.112 0.863 4.025 590 HB2 ASN 73 2HB ASN 73 -16.266 1.956 5.838 591 HB3 ASN 73 1HB ASN 73 -16.593 1.108 4.330 592 HD21 ASN 73 1HD2 ASN 73 -17.383 0.356 6.974 593 HD22 ASN 73 2HD2 ASN 73 -16.683 -1.191 7.284 594 H ALA 74 H ALA 74 -13.082 3.780 4.313 595 HA ALA 74 HA ALA 74 -14.780 5.420 2.772 596 HB1 ALA 74 3HB ALA 74 -12.854 6.280 4.032 597 HB2 ALA 74 1HB ALA 74 -12.802 6.783 2.342 598 HB3 ALA 74 2HB ALA 74 -11.761 5.474 2.907 599 H ARG 75 H ARG 75 -15.168 5.556 0.596 600 HA ARG 75 HA ARG 75 -14.359 3.346 -1.061 601 HB2 ARG 75 2HB ARG 75 -15.952 5.821 -1.761 602 HB3 ARG 75 1HB ARG 75 -15.727 4.433 -2.815 603 HG2 ARG 75 2HG ARG 75 -16.900 3.017 -1.167 604 HG3 ARG 75 1HG ARG 75 -17.169 4.448 -0.165 605 HD2 ARG 75 2HD ARG 75 -18.226 3.924 -2.947 606 HD3 ARG 75 1HD ARG 75 -19.158 4.064 -1.454 607 HE ARG 75 HE ARG 75 -18.306 6.440 -1.419 608 HH11 ARG 75 1HH1 ARG 75 -18.861 4.723 -4.359 609 HH12 ARG 75 2HH1 ARG 75 -19.016 6.173 -5.288 610 HH21 ARG 75 1HH2 ARG 75 -18.486 8.277 -2.638 611 HH22 ARG 75 2HH2 ARG 75 -18.793 8.147 -4.335 612 H VAL 76 H VAL 76 -12.555 3.234 -2.188 613 HA VAL 76 HA VAL 76 -11.343 5.698 -3.291 614 HB VAL 76 HB VAL 76 -9.120 4.698 -2.970 615 HG11 VAL 76 1HG1 VAL 76 -9.933 6.164 -1.225 616 HG12 VAL 76 2HG1 VAL 76 -9.004 4.851 -0.502 617 HG13 VAL 76 3HG1 VAL 76 -10.767 4.821 -0.440 618 HG21 VAL 76 3HG2 VAL 76 -8.832 2.671 -1.607 619 HG22 VAL 76 1HG2 VAL 76 -9.726 2.334 -3.089 620 HG23 VAL 76 2HG2 VAL 76 -10.583 2.460 -1.552 621 H GLU 77 H GLU 77 -10.080 5.390 -5.259 622 HA GLU 77 HA GLU 77 -10.326 2.787 -6.576 623 HB2 GLU 77 2HB GLU 77 -10.873 3.812 -8.737 624 HB3 GLU 77 1HB GLU 77 -12.122 4.122 -7.542 625 HG2 GLU 77 2HG GLU 77 -11.301 6.394 -7.240 626 HG3 GLU 77 1HG GLU 77 -9.994 6.087 -8.384 627 H LEU 78 H LEU 78 -8.659 2.316 -8.078 628 HA LEU 78 HA LEU 78 -6.188 3.737 -7.380 629 HB2 LEU 78 2HB LEU 78 -6.601 1.001 -8.598 630 HB3 LEU 78 1HB LEU 78 -5.046 1.687 -8.161 631 HG LEU 78 HG LEU 78 -7.281 1.027 -6.231 632 HD11 LEU 78 1HD1 LEU 78 -4.619 -0.329 -6.676 633 HD12 LEU 78 2HD1 LEU 78 -6.198 -0.970 -7.135 634 HD13 LEU 78 3HD1 LEU 78 -5.801 -0.739 -5.432 635 HD21 LEU 78 3HD2 LEU 78 -5.635 1.547 -4.486 636 HD22 LEU 78 1HD2 LEU 78 -5.991 2.954 -5.487 637 HD23 LEU 78 2HD2 LEU 78 -4.488 2.062 -5.724 638 H ILE 79 H ILE 79 -4.882 4.704 -8.839 639 HA ILE 79 HA ILE 79 -5.819 5.420 -11.399 640 HB ILE 79 HB ILE 79 -2.991 5.531 -10.320 641 HG12 ILE 79 2HG1 ILE 79 -4.560 6.787 -8.925 642 HG13 ILE 79 1HG1 ILE 79 -3.526 7.899 -9.815 643 HG21 ILE 79 1HG2 ILE 79 -2.995 5.703 -12.748 644 HG22 ILE 79 2HG2 ILE 79 -2.605 7.264 -12.030 645 HG23 ILE 79 3HG2 ILE 79 -4.218 6.971 -12.684 646 HD11 ILE 79 3HD1 ILE 79 -5.329 8.321 -11.396 647 HD12 ILE 79 1HD1 ILE 79 -5.834 8.667 -9.742 648 HD13 ILE 79 2HD1 ILE 79 -6.362 7.181 -10.532 649 H ASN 80 H ASN 80 -2.786 3.599 -10.840 650 HA ASN 80 HA ASN 80 -3.502 1.834 -13.101 651 HB2 ASN 80 2HB ASN 80 -0.777 2.945 -12.371 652 HB3 ASN 80 1HB ASN 80 -1.030 1.663 -13.553 653 HD21 ASN 80 1HD2 ASN 80 0.047 4.406 -13.823 654 HD22 ASN 80 2HD2 ASN 80 -0.906 5.136 -15.063 655 HA PRO 81 HA PRO 81 -2.722 -1.003 -9.534 656 HB2 PRO 81 2HB PRO 81 -4.970 -2.450 -9.707 657 HB3 PRO 81 1HB PRO 81 -4.956 -0.857 -8.940 658 HG2 PRO 81 2HG PRO 81 -5.877 -1.629 -11.686 659 HG3 PRO 81 1HG PRO 81 -6.617 -0.503 -10.533 660 HD2 PRO 81 2HD PRO 81 -5.015 0.247 -12.670 661 HD3 PRO 81 1HD PRO 81 -5.301 1.239 -11.228 662 H ILE 82 H ILE 82 -1.461 -2.768 -9.856 663 HA ILE 82 HA ILE 82 -2.161 -4.654 -12.007 664 HB ILE 82 HB ILE 82 0.240 -5.019 -12.523 665 HG12 ILE 82 2HG1 ILE 82 0.698 -2.517 -10.865 666 HG13 ILE 82 1HG1 ILE 82 1.203 -4.142 -10.416 667 HG21 ILE 82 1HG2 ILE 82 -1.116 -3.607 -13.969 668 HG22 ILE 82 2HG2 ILE 82 0.540 -3.004 -13.894 669 HG23 ILE 82 3HG2 ILE 82 -0.735 -2.197 -12.980 670 HD11 ILE 82 3HD1 ILE 82 3.062 -2.852 -11.281 671 HD12 ILE 82 1HD1 ILE 82 2.189 -2.570 -12.787 672 HD13 ILE 82 2HD1 ILE 82 2.694 -4.203 -12.352 673 H ALA 83 H ALA 83 -2.355 -6.676 -11.250 674 HA ALA 83 HA ALA 83 -1.446 -7.400 -8.600 675 HB1 ALA 83 3HB ALA 83 -2.750 -9.092 -10.739 676 HB2 ALA 83 1HB ALA 83 -3.593 -8.216 -9.462 677 HB3 ALA 83 2HB ALA 83 -2.517 -9.552 -9.051 678 H ASP 84 H ASP 84 0.597 -8.100 -8.186 679 HA ASP 84 HA ASP 84 2.291 -8.690 -10.507 680 HB2 ASP 84 2HB ASP 84 4.165 -8.222 -9.090 681 HB3 ASP 84 1HB ASP 84 2.949 -6.985 -8.780 682 H THR 85 H THR 85 4.093 -10.304 -10.157 683 HA THR 85 HA THR 85 3.306 -12.592 -8.460 684 HB THR 85 HB THR 85 4.625 -12.874 -11.185 685 HG1 THR 85 HG1 THR 85 2.367 -12.116 -11.211 686 HG21 THR 85 3HG2 THR 85 5.082 -14.734 -9.644 687 HG22 THR 85 1HG2 THR 85 4.009 -15.250 -10.946 688 HG23 THR 85 2HG2 THR 85 3.354 -14.919 -9.342 689 H VAL 86 H VAL 86 5.285 -10.186 -8.435 690 HA VAL 86 HA VAL 86 7.878 -11.496 -8.417 691 HB VAL 86 HB VAL 86 8.824 -9.312 -7.880 692 HG11 VAL 86 1HG1 VAL 86 8.358 -9.843 -10.218 693 HG12 VAL 86 2HG1 VAL 86 8.179 -8.115 -9.913 694 HG13 VAL 86 3HG1 VAL 86 6.749 -9.137 -10.067 695 HG21 VAL 86 3HG2 VAL 86 7.417 -7.310 -7.684 696 HG22 VAL 86 1HG2 VAL 86 7.083 -8.461 -6.389 697 HG23 VAL 86 2HG2 VAL 86 5.970 -8.317 -7.751 698 H ALA 87 H ALA 87 5.535 -10.318 -6.061 699 HA ALA 87 HA ALA 87 7.140 -10.617 -3.744 700 HB1 ALA 87 3HB ALA 87 5.032 -10.609 -2.506 701 HB2 ALA 87 1HB ALA 87 4.138 -10.858 -4.008 702 HB3 ALA 87 2HB ALA 87 5.034 -9.361 -3.753 703 H THR 88 H THR 88 4.638 -12.791 -5.076 704 HA THR 88 HA THR 88 5.206 -14.973 -3.369 705 HB THR 88 HB THR 88 3.883 -16.340 -4.965 706 HG1 THR 88 HG1 THR 88 2.909 -14.648 -6.648 707 HG21 THR 88 3HG2 THR 88 2.724 -14.998 -3.260 708 HG22 THR 88 1HG2 THR 88 1.774 -15.115 -4.741 709 HG23 THR 88 2HG2 THR 88 2.660 -13.636 -4.378 710 H ALA 89 H ALA 89 7.037 -13.758 -5.924 711 HA ALA 89 HA ALA 89 8.231 -16.281 -6.719 712 HB1 ALA 89 3HB ALA 89 9.056 -13.448 -7.373 713 HB2 ALA 89 1HB ALA 89 8.016 -14.480 -8.354 714 HB3 ALA 89 2HB ALA 89 9.710 -14.911 -8.111 715 H THR 90 H THR 90 8.841 -13.808 -4.343 716 HA THR 90 HA THR 90 11.472 -15.016 -3.730 717 HB THR 90 HB THR 90 11.609 -12.613 -4.165 718 HG1 THR 90 HG1 THR 90 12.164 -13.626 -1.593 719 HG21 THR 90 3HG2 THR 90 9.363 -11.928 -3.503 720 HG22 THR 90 1HG2 THR 90 10.574 -10.989 -2.631 721 HG23 THR 90 2HG2 THR 90 9.726 -12.303 -1.818 722 H TYR 91 H TYR 91 8.275 -14.516 -2.487 723 HA TYR 91 HA TYR 91 9.061 -15.566 0.147 724 HB2 TYR 91 2HB TYR 91 6.421 -14.427 -0.799 725 HB3 TYR 91 1HB TYR 91 6.737 -15.018 0.827 726 HD1 TYR 91 HD2 TYR 91 8.716 -13.856 2.091 727 HD2 TYR 91 HD1 TYR 91 6.717 -12.167 -1.266 728 HE1 TYR 91 HE2 TYR 91 9.499 -11.622 2.757 729 HE2 TYR 91 HE1 TYR 91 7.490 -9.928 -0.608 730 HH TYR 91 HH TYR 91 8.244 -8.756 1.390 731 H GLN 92 H GLN 92 7.847 -17.348 1.071 732 HA GLN 92 HA GLN 92 6.104 -18.899 -0.640 733 HB2 GLN 92 2HB GLN 92 8.294 -19.727 -1.351 734 HB3 GLN 92 1HB GLN 92 8.728 -20.069 0.318 735 HG2 GLN 92 2HG GLN 92 8.091 -22.084 -0.950 736 HG3 GLN 92 1HG GLN 92 7.067 -21.804 0.456 737 HE21 GLN 92 1HE2 GLN 92 7.212 -21.794 -3.031 738 HE22 GLN 92 2HE2 GLN 92 5.505 -21.719 -3.291 739 H GLY 93 H GLY 93 4.463 -19.545 0.584 740 HA2 GLY 93 2HA GLY 93 3.481 -20.747 2.371 741 HA3 GLY 93 1HA GLY 93 4.958 -20.549 3.297 742 H ALA 94 H ALA 94 5.071 -17.645 2.749 743 HA ALA 94 HA ALA 94 3.332 -16.789 4.902 744 HB1 ALA 94 3HB ALA 94 5.284 -15.180 3.248 745 HB2 ALA 94 1HB ALA 94 5.658 -16.010 4.758 746 HB3 ALA 94 2HB ALA 94 4.515 -14.669 4.752 747 H ASP 95 H ASP 95 3.290 -16.706 1.454 748 HA ASP 95 HA ASP 95 1.576 -14.443 1.114 749 HB2 ASP 95 2HB ASP 95 1.932 -16.711 -0.847 750 HB3 ASP 95 1HB ASP 95 1.537 -15.030 -1.192 751 H VAL 96 H VAL 96 -0.103 -14.959 2.666 752 HA VAL 96 HA VAL 96 -1.912 -17.145 2.072 753 HB VAL 96 HB VAL 96 -3.277 -16.237 3.949 754 HG11 VAL 96 1HG1 VAL 96 -1.669 -16.803 5.720 755 HG12 VAL 96 2HG1 VAL 96 -0.348 -16.662 4.560 756 HG13 VAL 96 3HG1 VAL 96 -1.564 -17.925 4.362 757 HG21 VAL 96 3HG2 VAL 96 -2.346 -14.441 5.346 758 HG22 VAL 96 1HG2 VAL 96 -2.707 -13.865 3.718 759 HG23 VAL 96 2HG2 VAL 96 -1.042 -14.211 4.182 760 H ASP 97 H ASP 97 -1.737 -13.705 1.448 761 HA ASP 97 HA ASP 97 -4.192 -13.931 -0.171 762 HB2 ASP 97 2HB ASP 97 -3.275 -11.536 1.445 763 HB3 ASP 97 1HB ASP 97 -4.602 -11.504 0.286 764 H TRP 98 H TRP 98 -4.237 -12.123 -1.915 765 HA TRP 98 HA TRP 98 -1.656 -12.345 -3.273 766 HB2 TRP 98 2HB TRP 98 -2.874 -11.920 -5.355 767 HB3 TRP 98 1HB TRP 98 -3.547 -13.279 -4.472 768 HD1 TRP 98 HD1 TRP 98 -5.773 -12.219 -2.734 769 HE1 TRP 98 HE1 TRP 98 -7.776 -10.901 -3.668 770 HE3 TRP 98 HE3 TRP 98 -3.725 -10.612 -7.143 771 HZ2 TRP 98 HZ2 TRP 98 -8.413 -9.395 -5.962 772 HZ3 TRP 98 HZ3 TRP 98 -5.110 -9.244 -8.652 773 HH2 TRP 98 HH2 TRP 98 -7.404 -8.651 -8.071 774 H TYR 99 H TYR 99 -0.754 -10.594 -4.512 775 HA TYR 99 HA TYR 99 -1.107 -8.059 -3.049 776 HB2 TYR 99 2HB TYR 99 1.370 -8.950 -4.540 777 HB3 TYR 99 1HB TYR 99 1.226 -7.627 -3.389 778 HD1 TYR 99 HD1 TYR 99 1.179 -11.323 -3.711 779 HD2 TYR 99 HD2 TYR 99 1.524 -8.015 -1.055 780 HE1 TYR 99 HE1 TYR 99 1.883 -12.845 -1.917 781 HE2 TYR 99 HE2 TYR 99 2.224 -9.532 0.750 782 HH TYR 99 HH TYR 99 3.099 -12.804 0.150 783 H ILE 100 H ILE 100 -1.375 -6.173 -4.083 784 HA ILE 100 HA ILE 100 -1.310 -6.101 -7.033 785 HB ILE 100 HB ILE 100 -3.313 -4.654 -5.278 786 HG12 ILE 100 2HG1 ILE 100 -3.744 -7.075 -7.053 787 HG13 ILE 100 1HG1 ILE 100 -3.726 -7.091 -5.293 788 HG21 ILE 100 1HG2 ILE 100 -2.835 -3.436 -7.313 789 HG22 ILE 100 2HG2 ILE 100 -4.448 -4.148 -7.416 790 HG23 ILE 100 3HG2 ILE 100 -3.101 -4.886 -8.282 791 HD11 ILE 100 3HD1 ILE 100 -5.989 -7.139 -6.101 792 HD12 ILE 100 1HD1 ILE 100 -5.719 -5.676 -7.050 793 HD13 ILE 100 2HD1 ILE 100 -5.685 -5.606 -5.288 794 H LYS 101 H LYS 101 0.427 -4.847 -7.500 795 HA LYS 101 HA LYS 101 1.176 -2.591 -5.832 796 HB2 LYS 101 2HB LYS 101 2.308 -3.617 -8.452 797 HB3 LYS 101 1HB LYS 101 2.993 -2.288 -7.524 798 HG2 LYS 101 2HG LYS 101 3.514 -3.748 -5.688 799 HG3 LYS 101 1HG LYS 101 2.651 -5.085 -6.447 800 HD2 LYS 101 2HD LYS 101 5.043 -5.377 -6.732 801 HD3 LYS 101 1HD LYS 101 4.287 -5.072 -8.295 802 HE2 LYS 101 2HE LYS 101 6.305 -3.800 -8.205 803 HE3 LYS 101 1HE LYS 101 4.961 -2.669 -8.062 804 HZ1 LYS 101 3HZ LYS 101 5.325 -2.687 -5.631 805 HZ2 LYS 101 1HZ LYS 101 6.652 -2.098 -6.493 806 HZ3 LYS 101 2HZ LYS 101 6.690 -3.660 -5.858 807 H ALA 102 H ALA 102 0.648 -0.480 -6.183 808 HA ALA 102 HA ALA 102 -0.896 0.134 -8.632 809 HB1 ALA 102 3HB ALA 102 -2.341 1.574 -7.296 810 HB2 ALA 102 1HB ALA 102 -1.429 1.159 -5.846 811 HB3 ALA 102 2HB ALA 102 -2.359 -0.081 -6.686 812 H ASP 103 H ASP 103 -1.070 2.491 -9.088 813 HA ASP 103 HA ASP 103 1.528 3.761 -8.905 814 HB2 ASP 103 2HB ASP 103 0.280 3.712 -11.035 815 HB3 ASP 103 1HB ASP 103 -1.007 4.660 -10.297 816 H ASP 104 H ASP 104 -1.803 4.945 -8.342 817 HA ASP 104 HA ASP 104 -0.958 6.195 -5.850 818 HB2 ASP 104 2HB ASP 104 -0.611 7.954 -7.513 819 HB3 ASP 104 1HB ASP 104 -2.256 7.748 -8.108 820 H ILE 105 H ILE 105 -2.714 6.824 -4.485 821 HA ILE 105 HA ILE 105 -5.187 5.276 -4.981 822 HB ILE 105 HB ILE 105 -3.861 6.010 -2.356 823 HG12 ILE 105 2HG1 ILE 105 -4.268 3.317 -3.694 824 HG13 ILE 105 1HG1 ILE 105 -2.738 4.178 -3.568 825 HG21 ILE 105 1HG2 ILE 105 -5.623 4.655 -1.286 826 HG22 ILE 105 2HG2 ILE 105 -6.433 4.501 -2.845 827 HG23 ILE 105 3HG2 ILE 105 -6.266 6.087 -2.088 828 HD11 ILE 105 3HD1 ILE 105 -2.801 3.949 -1.145 829 HD12 ILE 105 1HD1 ILE 105 -2.895 2.379 -1.944 830 HD13 ILE 105 2HD1 ILE 105 -4.348 3.107 -1.259 831 H VAL 106 H VAL 106 -6.881 6.554 -5.483 832 HA VAL 106 HA VAL 106 -7.227 9.094 -3.995 833 HB VAL 106 HB VAL 106 -8.399 10.031 -5.945 834 HG11 VAL 106 1HG1 VAL 106 -6.017 10.484 -5.683 835 HG12 VAL 106 2HG1 VAL 106 -6.447 10.378 -7.391 836 HG13 VAL 106 3HG1 VAL 106 -5.624 9.030 -6.603 837 HG21 VAL 106 3HG2 VAL 106 -7.561 7.494 -7.367 838 HG22 VAL 106 1HG2 VAL 106 -8.307 8.902 -8.125 839 HG23 VAL 106 2HG2 VAL 106 -9.210 7.955 -6.946 840 H LEU 107 H LEU 107 -9.643 9.816 -4.076 841 HA LEU 107 HA LEU 107 -11.266 7.589 -3.161 842 HB2 LEU 107 2HB LEU 107 -11.867 10.544 -3.380 843 HB3 LEU 107 1HB LEU 107 -12.971 9.360 -2.703 844 HG LEU 107 HG LEU 107 -10.241 10.039 -1.591 845 HD11 LEU 107 1HD1 LEU 107 -12.996 10.756 -0.584 846 HD12 LEU 107 2HD1 LEU 107 -11.825 11.868 -1.292 847 HD13 LEU 107 3HD1 LEU 107 -11.475 11.083 0.247 848 HD21 LEU 107 3HD2 LEU 107 -10.878 7.718 -1.160 849 HD22 LEU 107 1HD2 LEU 107 -12.417 8.256 -0.484 850 HD23 LEU 107 2HD2 LEU 107 -10.902 8.672 0.320 851 H THR 108 H THR 108 -13.288 6.971 -4.047 852 HA THR 108 HA THR 108 -13.365 6.783 -6.856 853 HB THR 108 HB THR 108 -15.767 6.402 -5.055 854 HG1 THR 108 HG1 THR 108 -13.718 4.503 -5.665 855 HG21 THR 108 3HG2 THR 108 -16.235 6.300 -7.454 856 HG22 THR 108 1HG2 THR 108 -16.392 4.702 -6.722 857 HG23 THR 108 2HG2 THR 108 -14.955 5.103 -7.665 858 H LEU 109 H LEU 109 -13.660 8.498 -8.170 859 HA LEU 109 HA LEU 109 -15.225 10.774 -7.255 860 HB2 LEU 109 2HB LEU 109 -14.441 11.902 -9.339 861 HB3 LEU 109 1HB LEU 109 -13.173 11.412 -8.236 862 HG LEU 109 HG LEU 109 -13.828 9.525 -10.449 863 HD11 LEU 109 1HD1 LEU 109 -13.856 11.642 -11.640 864 HD12 LEU 109 2HD1 LEU 109 -12.372 10.766 -12.014 865 HD13 LEU 109 3HD1 LEU 109 -12.336 12.118 -10.883 866 HD21 LEU 109 3HD2 LEU 109 -11.435 9.135 -10.373 867 HD22 LEU 109 1HD2 LEU 109 -12.103 9.052 -8.743 868 HD23 LEU 109 2HD2 LEU 109 -11.222 10.488 -9.261 869 H GLU 110 H GLU 110 -15.842 8.025 -9.107 870 HA GLU 110 HA GLU 110 -17.943 9.291 -10.708 871 HB2 GLU 110 2HB GLU 110 -17.003 6.414 -10.660 872 HB3 GLU 110 1HB GLU 110 -18.183 7.084 -11.778 873 HG2 GLU 110 2HG GLU 110 -16.475 8.600 -12.668 874 HG3 GLU 110 1HG GLU 110 -15.291 7.901 -11.564 Start of MODEL 2 1 H1 MET 1 1H MET 1 -35.785 -36.353 -24.973 2 H2 MET 1 2H MET 1 -35.388 -35.896 -23.395 3 H3 MET 1 3H MET 1 -34.970 -37.436 -23.957 4 HA MET 1 HA MET 1 -33.044 -36.001 -23.901 5 HB2 MET 1 2HB MET 1 -32.311 -36.318 -26.239 6 HB3 MET 1 1HB MET 1 -33.117 -37.742 -25.604 7 HG2 MET 1 2HG MET 1 -35.168 -37.108 -26.793 8 HG3 MET 1 1HG MET 1 -34.344 -35.691 -27.441 9 HE1 MET 1 3HE MET 1 -32.851 -39.296 -26.893 10 HE2 MET 1 1HE MET 1 -33.161 -40.036 -28.465 11 HE3 MET 1 2HE MET 1 -34.507 -39.621 -27.408 12 H MET 2 H MET 2 -32.259 -33.981 -23.977 13 HA MET 2 HA MET 2 -33.431 -32.036 -25.860 14 HB2 MET 2 2HB MET 2 -32.727 -31.518 -22.959 15 HB3 MET 2 1HB MET 2 -33.131 -30.263 -24.123 16 HG2 MET 2 2HG MET 2 -35.357 -31.275 -24.413 17 HG3 MET 2 1HG MET 2 -34.949 -32.483 -23.197 18 HE1 MET 2 3HE MET 2 -37.548 -30.598 -23.068 19 HE2 MET 2 1HE MET 2 -37.547 -30.163 -21.361 20 HE3 MET 2 2HE MET 2 -37.171 -31.816 -21.850 21 H ARG 3 H ARG 3 -31.982 -30.347 -26.536 22 HA ARG 3 HA ARG 3 -29.185 -31.240 -26.509 23 HB2 ARG 3 2HB ARG 3 -30.689 -29.349 -28.330 24 HB3 ARG 3 1HB ARG 3 -28.945 -29.547 -28.395 25 HG2 ARG 3 2HG ARG 3 -29.869 -30.900 -30.105 26 HG3 ARG 3 1HG ARG 3 -29.313 -31.985 -28.834 27 HD2 ARG 3 2HD ARG 3 -31.635 -32.143 -28.001 28 HD3 ARG 3 1HD ARG 3 -32.162 -31.108 -29.327 29 HE ARG 3 HE ARG 3 -30.742 -33.386 -30.276 30 HH11 ARG 3 1HH1 ARG 3 -33.807 -32.377 -29.076 31 HH12 ARG 3 2HH1 ARG 3 -34.660 -33.639 -29.894 32 HH21 ARG 3 1HH2 ARG 3 -31.845 -35.011 -31.290 33 HH22 ARG 3 2HH2 ARG 3 -33.562 -35.114 -31.123 34 H LEU 4 H LEU 4 -27.679 -30.208 -25.350 35 HA LEU 4 HA LEU 4 -28.354 -27.644 -24.100 36 HB2 LEU 4 2HB LEU 4 -26.117 -29.608 -23.558 37 HB3 LEU 4 1HB LEU 4 -26.272 -28.065 -22.744 38 HG LEU 4 HG LEU 4 -27.110 -29.729 -21.265 39 HD11 LEU 4 1HD1 LEU 4 -29.397 -29.018 -20.899 40 HD12 LEU 4 2HD1 LEU 4 -29.482 -28.362 -22.535 41 HD13 LEU 4 3HD1 LEU 4 -28.391 -27.642 -21.349 42 HD21 LEU 4 3HD2 LEU 4 -28.860 -31.310 -21.825 43 HD22 LEU 4 1HD2 LEU 4 -27.494 -31.503 -22.925 44 HD23 LEU 4 2HD2 LEU 4 -28.953 -30.671 -23.466 45 H ALA 5 H ALA 5 -27.221 -25.781 -24.410 46 HA ALA 5 HA ALA 5 -25.708 -25.585 -26.868 47 HB1 ALA 5 3HB ALA 5 -25.837 -23.167 -26.504 48 HB2 ALA 5 1HB ALA 5 -26.531 -23.443 -24.905 49 HB3 ALA 5 2HB ALA 5 -27.421 -23.930 -26.348 50 H ASN 6 H ASN 6 -23.731 -24.186 -26.945 51 HA ASN 6 HA ASN 6 -21.713 -25.304 -25.255 52 HB2 ASN 6 2HB ASN 6 -21.342 -24.775 -27.647 53 HB3 ASN 6 1HB ASN 6 -21.503 -23.059 -27.284 54 HD21 ASN 6 1HD2 ASN 6 -19.434 -22.643 -28.037 55 HD22 ASN 6 2HD2 ASN 6 -18.025 -23.081 -27.144 56 H GLY 7 H GLY 7 -20.237 -24.154 -23.888 57 HA2 GLY 7 2HA GLY 7 -20.919 -21.452 -23.029 58 HA3 GLY 7 1HA GLY 7 -21.190 -22.711 -21.833 59 H ILE 8 H ILE 8 -18.787 -20.891 -23.600 60 HA ILE 8 HA ILE 8 -16.580 -22.360 -22.368 61 HB ILE 8 HB ILE 8 -15.108 -20.965 -23.759 62 HG12 ILE 8 2HG1 ILE 8 -17.688 -19.736 -24.795 63 HG13 ILE 8 1HG1 ILE 8 -16.493 -18.912 -23.797 64 HG21 ILE 8 1HG2 ILE 8 -17.384 -22.264 -25.260 65 HG22 ILE 8 2HG2 ILE 8 -15.936 -23.064 -24.649 66 HG23 ILE 8 3HG2 ILE 8 -15.805 -21.871 -25.942 67 HD11 ILE 8 3HD1 ILE 8 -16.285 -18.274 -26.125 68 HD12 ILE 8 1HD1 ILE 8 -16.048 -19.958 -26.586 69 HD13 ILE 8 2HD1 ILE 8 -14.845 -19.139 -25.587 70 H VAL 9 H VAL 9 -14.650 -20.856 -21.732 71 HA VAL 9 HA VAL 9 -15.526 -19.291 -19.466 72 HB VAL 9 HB VAL 9 -12.709 -19.770 -20.480 73 HG11 VAL 9 1HG1 VAL 9 -12.869 -17.869 -18.947 74 HG12 VAL 9 2HG1 VAL 9 -12.008 -19.217 -18.203 75 HG13 VAL 9 3HG1 VAL 9 -13.683 -18.890 -17.758 76 HG21 VAL 9 3HG2 VAL 9 -12.596 -21.557 -18.789 77 HG22 VAL 9 1HG2 VAL 9 -13.812 -21.890 -20.024 78 HG23 VAL 9 2HG2 VAL 9 -14.305 -21.315 -18.430 79 H LEU 10 H LEU 10 -15.282 -17.090 -19.149 80 HA LEU 10 HA LEU 10 -14.057 -15.465 -21.252 81 HB2 LEU 10 2HB LEU 10 -16.028 -13.856 -21.062 82 HB3 LEU 10 1HB LEU 10 -16.274 -15.330 -21.976 83 HG LEU 10 HG LEU 10 -17.406 -16.301 -19.928 84 HD11 LEU 10 1HD1 LEU 10 -17.317 -13.438 -18.981 85 HD12 LEU 10 2HD1 LEU 10 -16.528 -14.817 -18.220 86 HD13 LEU 10 3HD1 LEU 10 -18.286 -14.725 -18.264 87 HD21 LEU 10 3HD2 LEU 10 -19.517 -15.149 -20.347 88 HD22 LEU 10 1HD2 LEU 10 -18.658 -15.467 -21.854 89 HD23 LEU 10 2HD2 LEU 10 -18.654 -13.844 -21.162 90 H ASP 11 H ASP 11 -13.952 -13.084 -20.524 91 HA ASP 11 HA ASP 11 -12.463 -12.962 -18.139 92 HB2 ASP 11 2HB ASP 11 -13.688 -10.737 -19.787 93 HB3 ASP 11 1HB ASP 11 -12.539 -10.485 -18.476 94 H LYS 12 H LYS 12 -13.341 -13.336 -16.196 95 HA LYS 12 HA LYS 12 -15.824 -11.906 -15.455 96 HB2 LYS 12 2HB LYS 12 -16.016 -14.370 -15.446 97 HB3 LYS 12 1HB LYS 12 -14.689 -14.464 -14.299 98 HG2 LYS 12 2HG LYS 12 -16.014 -13.296 -12.627 99 HG3 LYS 12 1HG LYS 12 -17.338 -13.119 -13.779 100 HD2 LYS 12 2HD LYS 12 -16.245 -15.720 -12.689 101 HD3 LYS 12 1HD LYS 12 -17.780 -14.969 -12.257 102 HE2 LYS 12 2HE LYS 12 -17.024 -15.980 -15.004 103 HE3 LYS 12 1HE LYS 12 -18.075 -16.808 -13.857 104 HZ1 LYS 12 3HZ LYS 12 -19.301 -15.582 -15.568 105 HZ2 LYS 12 1HZ LYS 12 -18.627 -14.128 -15.021 106 HZ3 LYS 12 2HZ LYS 12 -19.651 -15.019 -14.011 107 H ASP 13 H ASP 13 -15.607 -10.325 -13.987 108 HA ASP 13 HA ASP 13 -14.762 -8.938 -12.402 109 HB2 ASP 13 2HB ASP 13 -14.999 -11.011 -11.005 110 HB3 ASP 13 1HB ASP 13 -13.309 -11.376 -11.337 111 H THR 14 H THR 14 -13.575 -7.737 -13.942 112 HA THR 14 HA THR 14 -10.799 -8.506 -14.473 113 HB THR 14 HB THR 14 -10.837 -6.659 -16.156 114 HG1 THR 14 HG1 THR 14 -13.213 -6.039 -16.597 115 HG21 THR 14 3HG2 THR 14 -11.377 -8.958 -16.820 116 HG22 THR 14 1HG2 THR 14 -12.336 -7.799 -17.739 117 HG23 THR 14 2HG2 THR 14 -13.070 -8.688 -16.405 118 H THR 15 H THR 15 -12.030 -5.180 -14.255 119 HA THR 15 HA THR 15 -9.641 -4.413 -12.776 120 HB THR 15 HB THR 15 -11.883 -2.562 -13.630 121 HG1 THR 15 HG1 THR 15 -10.850 -2.361 -15.603 122 HG21 THR 15 3HG2 THR 15 -10.208 -1.593 -12.114 123 HG22 THR 15 1HG2 THR 15 -10.081 -0.889 -13.727 124 HG23 THR 15 2HG2 THR 15 -8.918 -2.109 -13.204 125 H PHE 16 H PHE 16 -12.091 -5.905 -11.608 126 HA PHE 16 HA PHE 16 -13.113 -6.102 -9.592 127 HB2 PHE 16 2HB PHE 16 -11.286 -3.892 -8.616 128 HB3 PHE 16 1HB PHE 16 -12.078 -5.131 -7.650 129 HD1 PHE 16 HD1 PHE 16 -11.420 -7.593 -8.162 130 HD2 PHE 16 HD2 PHE 16 -9.103 -4.221 -9.354 131 HE1 PHE 16 HE1 PHE 16 -9.440 -9.036 -8.394 132 HE2 PHE 16 HE2 PHE 16 -7.124 -5.660 -9.587 133 HZ PHE 16 HZ PHE 16 -7.290 -8.070 -9.110 134 H GLY 17 H GLY 17 -14.194 -4.669 -7.737 135 HA2 GLY 17 2HA GLY 17 -15.781 -2.579 -9.077 136 HA3 GLY 17 1HA GLY 17 -16.198 -3.390 -7.576 137 H GLU 18 H GLU 18 -16.516 -1.473 -6.388 138 HA GLU 18 HA GLU 18 -14.191 0.271 -6.052 139 HB2 GLU 18 2HB GLU 18 -15.962 1.423 -4.402 140 HB3 GLU 18 1HB GLU 18 -15.902 1.750 -6.125 141 HG2 GLU 18 2HG GLU 18 -18.164 1.452 -5.628 142 HG3 GLU 18 1HG GLU 18 -17.655 -0.046 -6.401 143 H LEU 19 H LEU 19 -12.860 0.186 -4.407 144 HA LEU 19 HA LEU 19 -13.140 -2.073 -2.589 145 HB2 LEU 19 2HB LEU 19 -10.774 -0.243 -3.023 146 HB3 LEU 19 1HB LEU 19 -10.765 -1.782 -2.179 147 HG LEU 19 HG LEU 19 -11.333 -1.428 -5.132 148 HD11 LEU 19 1HD1 LEU 19 -9.017 -0.923 -4.647 149 HD12 LEU 19 2HD1 LEU 19 -9.142 -2.473 -5.480 150 HD13 LEU 19 3HD1 LEU 19 -8.852 -2.428 -3.739 151 HD21 LEU 19 3HD2 LEU 19 -11.167 -3.865 -5.244 152 HD22 LEU 19 1HD2 LEU 19 -12.479 -3.362 -4.178 153 HD23 LEU 19 2HD2 LEU 19 -10.959 -3.940 -3.493 154 H LYS 20 H LYS 20 -12.570 -1.899 -0.306 155 HA LYS 20 HA LYS 20 -13.216 0.755 0.832 156 HB2 LYS 20 2HB LYS 20 -13.907 -2.002 1.858 157 HB3 LYS 20 1HB LYS 20 -13.975 -0.575 2.880 158 HG2 LYS 20 2HG LYS 20 -16.176 -0.927 2.137 159 HG3 LYS 20 1HG LYS 20 -15.564 0.423 1.182 160 HD2 LYS 20 2HD LYS 20 -15.026 -1.248 -0.632 161 HD3 LYS 20 1HD LYS 20 -15.900 -2.449 0.318 162 HE2 LYS 20 2HE LYS 20 -17.921 -1.065 0.202 163 HE3 LYS 20 1HE LYS 20 -17.043 0.134 -0.747 164 HZ1 LYS 20 3HZ LYS 20 -18.276 -1.203 -2.240 165 HZ2 LYS 20 1HZ LYS 20 -17.722 -2.638 -1.540 166 HZ3 LYS 20 2HZ LYS 20 -16.661 -1.657 -2.414 167 H PHE 21 H PHE 21 -11.510 1.716 1.698 168 HA PHE 21 HA PHE 21 -9.098 0.405 2.425 169 HB2 PHE 21 2HB PHE 21 -9.098 2.743 1.741 170 HB3 PHE 21 1HB PHE 21 -10.126 3.174 3.101 171 HD1 PHE 21 HD1 PHE 21 -6.752 1.957 2.182 172 HD2 PHE 21 HD2 PHE 21 -9.203 3.657 5.229 173 HE1 PHE 21 HE1 PHE 21 -4.755 2.389 3.549 174 HE2 PHE 21 HE2 PHE 21 -7.204 4.088 6.596 175 HZ PHE 21 HZ PHE 21 -4.978 3.456 5.757 176 H SER 22 H SER 22 -8.561 -0.637 4.270 177 HA SER 22 HA SER 22 -10.322 -0.291 6.616 178 HB2 SER 22 2HB SER 22 -9.480 -2.475 7.383 179 HB3 SER 22 1HB SER 22 -10.205 -2.584 5.782 180 HG SER 22 HG SER 22 -7.719 -3.225 6.554 181 H ALA 23 H ALA 23 -6.878 -1.072 6.043 182 HA ALA 23 HA ALA 23 -6.010 0.992 7.862 183 HB1 ALA 23 3HB ALA 23 -5.627 -1.895 8.667 184 HB2 ALA 23 1HB ALA 23 -6.704 -0.740 9.450 185 HB3 ALA 23 2HB ALA 23 -4.960 -0.491 9.499 186 H LEU 24 H LEU 24 -3.551 0.690 8.321 187 HA LEU 24 HA LEU 24 -2.209 0.310 5.783 188 HB2 LEU 24 2HB LEU 24 -1.593 2.203 7.158 189 HB3 LEU 24 1HB LEU 24 -1.233 1.155 8.516 190 HG LEU 24 HG LEU 24 0.659 0.179 7.209 191 HD11 LEU 24 1HD1 LEU 24 0.052 2.390 5.248 192 HD12 LEU 24 2HD1 LEU 24 -0.165 0.664 4.960 193 HD13 LEU 24 3HD1 LEU 24 1.452 1.319 5.213 194 HD21 LEU 24 3HD2 LEU 24 1.034 1.959 8.840 195 HD22 LEU 24 1HD2 LEU 24 0.760 3.174 7.591 196 HD23 LEU 24 2HD2 LEU 24 2.149 2.091 7.480 197 H ARG 25 H ARG 25 -1.475 -1.640 5.147 198 HA ARG 25 HA ARG 25 -1.190 -3.870 6.889 199 HB2 ARG 25 2HB ARG 25 -1.726 -4.296 4.601 200 HB3 ARG 25 1HB ARG 25 -0.333 -3.385 4.036 201 HG2 ARG 25 2HG ARG 25 0.048 -5.757 3.765 202 HG3 ARG 25 1HG ARG 25 1.160 -5.098 4.964 203 HD2 ARG 25 2HD ARG 25 0.263 -7.251 5.686 204 HD3 ARG 25 1HD ARG 25 -0.263 -5.957 6.762 205 HE ARG 25 HE ARG 25 -2.288 -6.146 4.982 206 HH11 ARG 25 1HH1 ARG 25 -0.674 -8.474 6.945 207 HH12 ARG 25 2HH1 ARG 25 -2.091 -9.445 7.134 208 HH21 ARG 25 1HH2 ARG 25 -4.066 -7.386 5.196 209 HH22 ARG 25 2HH2 ARG 25 -4.007 -8.839 6.139 210 H ARG 26 H ARG 26 1.337 -2.266 4.929 211 HA ARG 26 HA ARG 26 3.206 -2.110 7.070 212 HB2 ARG 26 2HB ARG 26 3.305 -4.524 6.801 213 HB3 ARG 26 1HB ARG 26 3.600 -4.355 5.076 214 HG2 ARG 26 2HG ARG 26 5.767 -3.413 5.467 215 HG3 ARG 26 1HG ARG 26 5.462 -3.312 7.200 216 HD2 ARG 26 2HD ARG 26 5.680 -5.852 5.576 217 HD3 ARG 26 1HD ARG 26 6.910 -5.210 6.669 218 HE ARG 26 HE ARG 26 4.359 -5.655 7.923 219 HH11 ARG 26 1HH1 ARG 26 7.373 -7.099 7.071 220 HH12 ARG 26 2HH1 ARG 26 7.248 -8.320 8.283 221 HH21 ARG 26 1HH2 ARG 26 4.204 -7.241 9.453 222 HH22 ARG 26 2HH2 ARG 26 5.477 -8.405 9.611 223 H GLU 27 H GLU 27 4.615 -0.544 6.602 224 HA GLU 27 HA GLU 27 5.028 0.254 3.809 225 HB2 GLU 27 2HB GLU 27 5.993 1.627 6.332 226 HB3 GLU 27 1HB GLU 27 5.981 2.295 4.703 227 HG2 GLU 27 2HG GLU 27 3.540 2.239 4.691 228 HG3 GLU 27 1HG GLU 27 3.544 1.556 6.315 229 H VAL 28 H VAL 28 6.546 -1.082 2.899 230 HA VAL 28 HA VAL 28 8.718 -2.170 4.436 231 HB VAL 28 HB VAL 28 9.489 -3.189 2.320 232 HG11 VAL 28 1HG1 VAL 28 7.830 -4.324 3.705 233 HG12 VAL 28 2HG1 VAL 28 7.560 -4.661 1.994 234 HG13 VAL 28 3HG1 VAL 28 6.527 -3.505 2.838 235 HG21 VAL 28 3HG2 VAL 28 8.854 -1.422 0.750 236 HG22 VAL 28 1HG2 VAL 28 7.148 -1.740 1.063 237 HG23 VAL 28 2HG2 VAL 28 8.143 -2.965 0.277 238 H ARG 29 H ARG 29 10.568 -1.211 4.893 239 HA ARG 29 HA ARG 29 11.355 1.180 3.396 240 HB2 ARG 29 2HB ARG 29 12.297 0.115 6.068 241 HB3 ARG 29 1HB ARG 29 12.876 1.602 5.320 242 HG2 ARG 29 2HG ARG 29 10.566 2.482 5.365 243 HG3 ARG 29 1HG ARG 29 10.053 1.021 6.210 244 HD2 ARG 29 2HD ARG 29 11.543 1.566 8.072 245 HD3 ARG 29 1HD ARG 29 12.107 3.002 7.212 246 HE ARG 29 HE ARG 29 9.272 2.991 7.531 247 HH11 ARG 29 1HH1 ARG 29 12.196 3.642 9.258 248 HH12 ARG 29 2HH1 ARG 29 11.442 4.825 10.264 249 HH21 ARG 29 1HH2 ARG 29 8.338 4.458 8.859 250 HH22 ARG 29 2HH2 ARG 29 9.283 5.272 10.061 251 H ILE 30 H ILE 30 13.697 1.575 3.088 252 HA ILE 30 HA ILE 30 14.841 -0.589 1.590 253 HB ILE 30 HB ILE 30 16.014 2.137 2.212 254 HG12 ILE 30 2HG1 ILE 30 14.439 1.249 -0.227 255 HG13 ILE 30 1HG1 ILE 30 13.769 2.204 1.092 256 HG21 ILE 30 1HG2 ILE 30 17.684 0.526 1.436 257 HG22 ILE 30 2HG2 ILE 30 17.385 1.759 0.211 258 HG23 ILE 30 3HG2 ILE 30 16.683 0.152 0.031 259 HD11 ILE 30 3HD1 ILE 30 15.309 4.013 0.585 260 HD12 ILE 30 1HD1 ILE 30 14.353 3.581 -0.831 261 HD13 ILE 30 2HD1 ILE 30 16.031 3.053 -0.709 262 H GLN 31 H GLN 31 15.914 -2.198 2.593 263 HA GLN 31 HA GLN 31 17.183 -1.787 5.161 264 HB2 GLN 31 2HB GLN 31 15.940 -3.861 4.713 265 HB3 GLN 31 1HB GLN 31 17.052 -4.255 3.408 266 HG2 GLN 31 2HG GLN 31 18.896 -4.362 5.054 267 HG3 GLN 31 1HG GLN 31 17.731 -4.052 6.340 268 HE21 GLN 31 1HE2 GLN 31 18.212 -6.011 7.329 269 HE22 GLN 31 2HE2 GLN 31 17.699 -7.523 6.680 270 H ASN 32 H ASN 32 19.391 -1.969 5.631 271 HA ASN 32 HA ASN 32 21.218 -1.513 3.395 272 HB2 ASN 32 2HB ASN 32 21.770 -1.486 6.376 273 HB3 ASN 32 1HB ASN 32 22.887 -0.979 5.114 274 HD21 ASN 32 1HD2 ASN 32 20.164 -0.108 7.024 275 HD22 ASN 32 2HD2 ASN 32 20.038 1.523 6.468 276 H GLU 33 H GLU 33 23.405 -2.679 3.520 277 HA GLU 33 HA GLU 33 22.858 -5.496 3.441 278 HB2 GLU 33 2HB GLU 33 25.473 -4.024 3.076 279 HB3 GLU 33 1HB GLU 33 25.190 -5.721 2.697 280 HG2 GLU 33 2HG GLU 33 23.435 -4.989 1.076 281 HG3 GLU 33 1HG GLU 33 23.930 -3.324 1.372 282 H ASP 34 H ASP 34 24.298 -3.347 5.764 283 HA ASP 34 HA ASP 34 25.501 -5.441 7.347 284 HB2 ASP 34 2HB ASP 34 24.965 -2.522 7.941 285 HB3 ASP 34 1HB ASP 34 25.863 -3.602 9.003 286 H GLY 35 H GLY 35 22.616 -5.735 6.790 287 HA2 GLY 35 2HA GLY 35 20.994 -6.868 7.998 288 HA3 GLY 35 1HA GLY 35 21.871 -6.513 9.474 289 H SER 36 H SER 36 21.882 -3.747 9.476 290 HA SER 36 HA SER 36 19.309 -3.214 10.531 291 HB2 SER 36 2HB SER 36 21.526 -1.253 9.875 292 HB3 SER 36 1HB SER 36 20.127 -0.924 10.897 293 HG SER 36 HG SER 36 21.258 -1.705 12.471 294 H VAL 37 H VAL 37 17.670 -1.864 9.855 295 HA VAL 37 HA VAL 37 17.469 -1.498 6.950 296 HB VAL 37 HB VAL 37 15.289 -1.173 9.028 297 HG11 VAL 37 1HG1 VAL 37 14.799 -0.101 6.894 298 HG12 VAL 37 2HG1 VAL 37 13.769 -1.515 7.124 299 HG13 VAL 37 3HG1 VAL 37 15.156 -1.602 6.036 300 HG21 VAL 37 3HG2 VAL 37 16.231 -3.428 9.147 301 HG22 VAL 37 1HG2 VAL 37 15.987 -3.630 7.412 302 HG23 VAL 37 2HG2 VAL 37 14.596 -3.454 8.484 303 H SER 38 H SER 38 17.153 0.501 5.985 304 HA SER 38 HA SER 38 17.897 2.847 7.479 305 HB2 SER 38 2HB SER 38 18.614 2.642 5.155 306 HB3 SER 38 1HB SER 38 16.938 2.561 4.616 307 HG SER 38 HG SER 38 18.064 4.678 4.488 308 H ASP 39 H ASP 39 16.570 4.901 7.146 309 HA ASP 39 HA ASP 39 13.870 4.423 8.105 310 HB2 ASP 39 2HB ASP 39 15.282 7.061 7.640 311 HB3 ASP 39 1HB ASP 39 13.838 6.790 8.614 312 H GLU 40 H GLU 40 15.441 5.151 5.173 313 HA GLU 40 HA GLU 40 13.387 6.507 3.772 314 HB2 GLU 40 2HB GLU 40 15.493 4.658 2.622 315 HB3 GLU 40 1HB GLU 40 14.649 5.953 1.782 316 HG2 GLU 40 2HG GLU 40 15.759 7.617 3.128 317 HG3 GLU 40 1HG GLU 40 16.514 6.367 4.114 318 H ILE 41 H ILE 41 11.671 5.724 2.548 319 HA ILE 41 HA ILE 41 11.011 2.893 3.039 320 HB ILE 41 HB ILE 41 9.081 5.101 2.286 321 HG12 ILE 41 2HG1 ILE 41 9.713 3.940 5.020 322 HG13 ILE 41 1HG1 ILE 41 10.097 5.571 4.480 323 HG21 ILE 41 1HG2 ILE 41 7.366 3.504 3.073 324 HG22 ILE 41 2HG2 ILE 41 8.628 2.300 3.345 325 HG23 ILE 41 3HG2 ILE 41 8.287 2.868 1.708 326 HD11 ILE 41 3HD1 ILE 41 7.335 4.432 4.843 327 HD12 ILE 41 1HD1 ILE 41 7.712 6.063 4.288 328 HD13 ILE 41 2HD1 ILE 41 8.154 5.562 5.918 329 H LYS 42 H LYS 42 10.381 1.533 1.393 330 HA LYS 42 HA LYS 42 11.040 2.402 -1.322 331 HB2 LYS 42 2HB LYS 42 12.029 0.313 -0.328 332 HB3 LYS 42 1HB LYS 42 10.419 -0.389 -0.327 333 HG2 LYS 42 2HG LYS 42 11.724 -1.157 -2.235 334 HG3 LYS 42 1HG LYS 42 10.324 -0.217 -2.760 335 HD2 LYS 42 2HD LYS 42 11.695 1.708 -3.195 336 HD3 LYS 42 1HD LYS 42 13.102 0.936 -2.462 337 HE2 LYS 42 2HE LYS 42 13.247 0.884 -4.896 338 HE3 LYS 42 1HE LYS 42 13.110 -0.748 -4.242 339 HZ1 LYS 42 3HZ LYS 42 10.900 0.836 -5.438 340 HZ2 LYS 42 1HZ LYS 42 10.754 -0.723 -4.798 341 HZ3 LYS 42 2HZ LYS 42 11.701 -0.462 -6.168 342 H GLU 43 H GLU 43 8.434 0.482 0.233 343 HA GLU 43 HA GLU 43 6.492 1.684 -1.624 344 HB2 GLU 43 2HB GLU 43 6.655 -1.279 -1.008 345 HB3 GLU 43 1HB GLU 43 5.457 -0.498 -2.033 346 HG2 GLU 43 2HG GLU 43 7.248 0.167 -3.584 347 HG3 GLU 43 1HG GLU 43 8.420 -0.663 -2.569 348 H ARG 44 H ARG 44 4.374 1.852 -0.849 349 HA ARG 44 HA ARG 44 3.991 1.275 2.025 350 HB2 ARG 44 2HB ARG 44 2.930 3.458 0.246 351 HB3 ARG 44 1HB ARG 44 2.057 3.007 1.704 352 HG2 ARG 44 2HG ARG 44 4.022 3.521 3.061 353 HG3 ARG 44 1HG ARG 44 4.928 3.945 1.606 354 HD2 ARG 44 2HD ARG 44 3.753 5.912 1.288 355 HD3 ARG 44 1HD ARG 44 2.332 5.331 2.156 356 HE ARG 44 HE ARG 44 3.923 5.498 4.183 357 HH11 ARG 44 1HH1 ARG 44 3.904 7.684 1.509 358 HH12 ARG 44 2HH1 ARG 44 4.434 9.017 2.471 359 HH21 ARG 44 1HH2 ARG 44 4.550 7.217 5.406 360 HH22 ARG 44 2HH2 ARG 44 4.784 8.764 4.663 361 H THR 45 H THR 45 2.832 -0.521 2.352 362 HA THR 45 HA THR 45 0.810 -1.329 0.367 363 HB THR 45 HB THR 45 2.056 -2.950 2.614 364 HG1 THR 45 HG1 THR 45 2.969 -2.299 0.166 365 HG21 THR 45 3HG2 THR 45 0.294 -3.845 0.313 366 HG22 THR 45 1HG2 THR 45 -0.221 -3.710 1.996 367 HG23 THR 45 2HG2 THR 45 1.016 -4.880 1.547 368 H TYR 46 H TYR 46 -1.292 -1.081 0.784 369 HA TYR 46 HA TYR 46 -2.235 -0.854 3.579 370 HB2 TYR 46 2HB TYR 46 -3.558 0.276 1.093 371 HB3 TYR 46 1HB TYR 46 -4.052 0.540 2.759 372 HD1 TYR 46 HD1 TYR 46 -2.781 2.075 4.211 373 HD2 TYR 46 HD2 TYR 46 -1.689 1.490 0.133 374 HE1 TYR 46 HE1 TYR 46 -1.393 4.106 4.289 375 HE2 TYR 46 HE2 TYR 46 -0.302 3.517 0.210 376 HH TYR 46 HH TYR 46 0.610 5.017 3.044 377 H ASP 47 H ASP 47 -4.430 -1.694 3.985 378 HA ASP 47 HA ASP 47 -5.014 -4.088 2.375 379 HB2 ASP 47 2HB ASP 47 -5.811 -3.284 5.177 380 HB3 ASP 47 1HB ASP 47 -6.464 -4.699 4.358 381 H LEU 48 H LEU 48 -6.720 -4.118 1.030 382 HA LEU 48 HA LEU 48 -8.970 -2.260 1.555 383 HB2 LEU 48 2HB LEU 48 -7.971 -3.159 -1.159 384 HB3 LEU 48 1HB LEU 48 -9.297 -2.052 -0.858 385 HG LEU 48 HG LEU 48 -6.364 -1.539 -0.305 386 HD11 LEU 48 1HD1 LEU 48 -8.255 -0.271 -2.289 387 HD12 LEU 48 2HD1 LEU 48 -6.968 -1.412 -2.669 388 HD13 LEU 48 3HD1 LEU 48 -6.568 0.177 -2.022 389 HD21 LEU 48 3HD2 LEU 48 -7.727 -0.493 1.417 390 HD22 LEU 48 1HD2 LEU 48 -8.738 0.259 0.183 391 HD23 LEU 48 2HD2 LEU 48 -7.042 0.721 0.337 392 H LYS 49 H LYS 49 -10.987 -3.140 1.650 393 HA LYS 49 HA LYS 49 -11.359 -5.980 1.232 394 HB2 LYS 49 2HB LYS 49 -13.210 -3.765 2.099 395 HB3 LYS 49 1HB LYS 49 -13.840 -5.346 1.679 396 HG2 LYS 49 2HG LYS 49 -13.649 -5.444 3.978 397 HG3 LYS 49 1HG LYS 49 -12.183 -6.255 3.426 398 HD2 LYS 49 2HD LYS 49 -10.877 -4.254 3.830 399 HD3 LYS 49 1HD LYS 49 -12.335 -3.350 4.246 400 HE2 LYS 49 2HE LYS 49 -11.191 -3.982 6.271 401 HE3 LYS 49 1HE LYS 49 -12.697 -4.885 6.157 402 HZ1 LYS 49 3HZ LYS 49 -10.033 -5.946 5.399 403 HZ2 LYS 49 1HZ LYS 49 -11.484 -6.810 5.429 404 HZ3 LYS 49 2HZ LYS 49 -10.804 -6.249 6.871 405 H SER 50 H SER 50 -12.609 -6.979 -0.333 406 HA SER 50 HA SER 50 -13.035 -5.560 -2.831 407 HB2 SER 50 2HB SER 50 -13.636 -7.714 -3.755 408 HB3 SER 50 1HB SER 50 -12.212 -7.941 -2.737 409 HG SER 50 HG SER 50 -13.649 -8.670 -1.068 410 H LYS 51 H LYS 51 -15.205 -5.827 -3.980 411 HA LYS 51 HA LYS 51 -17.292 -4.816 -2.315 412 HB2 LYS 51 2HB LYS 51 -18.682 -4.924 -4.404 413 HB3 LYS 51 1HB LYS 51 -17.196 -4.004 -4.546 414 HG2 LYS 51 2HG LYS 51 -17.323 -5.196 -6.542 415 HG3 LYS 51 1HG LYS 51 -16.179 -6.117 -5.569 416 HD2 LYS 51 2HD LYS 51 -17.911 -7.735 -5.014 417 HD3 LYS 51 1HD LYS 51 -19.116 -6.784 -5.886 418 HE2 LYS 51 2HE LYS 51 -17.885 -7.143 -7.975 419 HE3 LYS 51 1HE LYS 51 -16.678 -8.087 -7.105 420 HZ1 LYS 51 3HZ LYS 51 -18.408 -9.683 -6.531 421 HZ2 LYS 51 1HZ LYS 51 -18.257 -9.515 -8.208 422 HZ3 LYS 51 2HZ LYS 51 -19.548 -8.781 -7.405 423 H GLY 52 H GLY 52 -16.242 -7.910 -2.512 424 HA2 GLY 52 2HA GLY 52 -17.829 -9.220 -0.910 425 HA3 GLY 52 1HA GLY 52 -18.917 -9.123 -2.284 426 H GLN 53 H GLN 53 -15.461 -9.565 -2.711 427 HA GLN 53 HA GLN 53 -15.979 -12.135 -4.001 428 HB2 GLN 53 2HB GLN 53 -13.430 -10.501 -3.882 429 HB3 GLN 53 1HB GLN 53 -13.696 -11.923 -4.882 430 HG2 GLN 53 2HG GLN 53 -15.156 -9.295 -5.122 431 HG3 GLN 53 1HG GLN 53 -13.863 -9.867 -6.179 432 HE21 GLN 53 1HE2 GLN 53 -14.298 -11.574 -7.615 433 HE22 GLN 53 2HE2 GLN 53 -15.916 -11.999 -8.043 434 H GLY 54 H GLY 54 -15.282 -11.216 -0.919 435 HA2 GLY 54 2HA GLY 54 -14.573 -12.375 0.934 436 HA3 GLY 54 1HA GLY 54 -14.581 -13.823 -0.058 437 H ARG 55 H ARG 55 -12.605 -10.939 -0.613 438 HA ARG 55 HA ARG 55 -10.213 -12.375 0.281 439 HB2 ARG 55 2HB ARG 55 -9.004 -11.787 -1.809 440 HB3 ARG 55 1HB ARG 55 -10.316 -12.928 -2.063 441 HG2 ARG 55 2HG ARG 55 -11.720 -11.197 -2.977 442 HG3 ARG 55 1HG ARG 55 -10.515 -9.966 -2.592 443 HD2 ARG 55 2HD ARG 55 -10.502 -10.615 -4.981 444 HD3 ARG 55 1HD ARG 55 -8.962 -10.918 -4.178 445 HE ARG 55 HE ARG 55 -9.698 -13.295 -4.040 446 HH11 ARG 55 1HH1 ARG 55 -11.041 -11.227 -6.452 447 HH12 ARG 55 2HH1 ARG 55 -11.377 -12.529 -7.534 448 HH21 ARG 55 1HH2 ARG 55 -10.114 -14.957 -5.455 449 HH22 ARG 55 2HH2 ARG 55 -10.852 -14.617 -6.983 450 H MET 56 H MET 56 -8.714 -11.107 1.237 451 HA MET 56 HA MET 56 -9.083 -8.193 1.199 452 HB2 MET 56 2HB MET 56 -8.825 -9.324 3.394 453 HB3 MET 56 1HB MET 56 -7.237 -9.895 2.902 454 HG2 MET 56 2HG MET 56 -6.529 -7.518 2.664 455 HG3 MET 56 1HG MET 56 -8.084 -7.037 3.336 456 HE1 MET 56 3HE MET 56 -8.472 -9.454 5.474 457 HE2 MET 56 1HE MET 56 -8.873 -7.777 5.845 458 HE3 MET 56 2HE MET 56 -7.840 -8.698 6.937 459 H ILE 57 H ILE 57 -8.020 -7.161 -0.400 460 HA ILE 57 HA ILE 57 -5.594 -8.380 -1.520 461 HB ILE 57 HB ILE 57 -5.860 -6.741 -3.367 462 HG12 ILE 57 2HG1 ILE 57 -8.408 -5.976 -1.906 463 HG13 ILE 57 1HG1 ILE 57 -6.997 -4.946 -2.129 464 HG21 ILE 57 1HG2 ILE 57 -8.298 -8.425 -2.764 465 HG22 ILE 57 2HG2 ILE 57 -6.823 -8.959 -3.572 466 HG23 ILE 57 3HG2 ILE 57 -7.875 -7.776 -4.349 467 HD11 ILE 57 3HD1 ILE 57 -7.367 -4.917 -4.523 468 HD12 ILE 57 1HD1 ILE 57 -8.807 -4.380 -3.661 469 HD13 ILE 57 2HD1 ILE 57 -8.746 -6.004 -4.340 470 H GLN 58 H GLN 58 -3.589 -7.586 -1.182 471 HA GLN 58 HA GLN 58 -3.372 -5.178 0.480 472 HB2 GLN 58 2HB GLN 58 -1.313 -7.282 -0.229 473 HB3 GLN 58 1HB GLN 58 -1.028 -5.914 0.843 474 HG2 GLN 58 2HG GLN 58 -2.798 -6.747 2.344 475 HG3 GLN 58 1HG GLN 58 -3.014 -8.142 1.289 476 HE21 GLN 58 1HE2 GLN 58 -2.498 -9.579 2.929 477 HE22 GLN 58 2HE2 GLN 58 -0.890 -9.775 3.517 478 H VAL 59 H VAL 59 -3.274 -3.343 -0.617 479 HA VAL 59 HA VAL 59 -2.071 -3.284 -3.285 480 HB VAL 59 HB VAL 59 -3.789 -1.257 -1.842 481 HG11 VAL 59 1HG1 VAL 59 -2.238 -0.098 -3.322 482 HG12 VAL 59 2HG1 VAL 59 -3.870 -0.051 -3.993 483 HG13 VAL 59 3HG1 VAL 59 -2.674 -1.171 -4.654 484 HG21 VAL 59 3HG2 VAL 59 -5.465 -1.878 -3.544 485 HG22 VAL 59 1HG2 VAL 59 -5.009 -3.246 -2.532 486 HG23 VAL 59 2HG2 VAL 59 -4.362 -3.105 -4.169 487 H SER 60 H SER 60 -0.101 -2.500 -3.636 488 HA SER 60 HA SER 60 1.139 -0.788 -1.565 489 HB2 SER 60 2HB SER 60 2.184 -3.040 -1.790 490 HB3 SER 60 1HB SER 60 2.556 -2.672 -3.473 491 HG SER 60 HG SER 60 4.347 -1.946 -2.603 492 H ILE 61 H ILE 61 1.824 1.172 -2.138 493 HA ILE 61 HA ILE 61 2.100 1.815 -5.013 494 HB ILE 61 HB ILE 61 1.434 4.139 -4.463 495 HG12 ILE 61 2HG1 ILE 61 0.746 3.007 -1.730 496 HG13 ILE 61 1HG1 ILE 61 2.065 4.122 -2.066 497 HG21 ILE 61 1HG2 ILE 61 -0.952 3.725 -4.249 498 HG22 ILE 61 2HG2 ILE 61 -0.637 2.090 -3.661 499 HG23 ILE 61 3HG2 ILE 61 -0.213 2.529 -5.319 500 HD11 ILE 61 3HD1 ILE 61 0.430 5.811 -2.774 501 HD12 ILE 61 1HD1 ILE 61 0.190 5.291 -1.106 502 HD13 ILE 61 2HD1 ILE 61 -0.873 4.690 -2.376 503 HA PRO 62 HA PRO 62 6.288 3.191 -4.406 504 HB2 PRO 62 2HB PRO 62 6.160 5.732 -5.578 505 HB3 PRO 62 1HB PRO 62 6.475 4.216 -6.428 506 HG2 PRO 62 2HG PRO 62 3.909 5.724 -6.130 507 HG3 PRO 62 1HG PRO 62 4.546 4.861 -7.543 508 HD2 PRO 62 2HD PRO 62 2.616 3.786 -6.041 509 HD3 PRO 62 1HD PRO 62 3.918 2.772 -6.701 510 H ALA 63 H ALA 63 7.194 3.914 -2.569 511 HA ALA 63 HA ALA 63 5.748 5.209 -0.561 512 HB1 ALA 63 3HB ALA 63 7.839 5.335 0.668 513 HB2 ALA 63 1HB ALA 63 8.744 4.995 -0.808 514 HB3 ALA 63 2HB ALA 63 7.671 3.771 -0.128 515 H SER 64 H SER 64 7.531 6.603 -3.175 516 HA SER 64 HA SER 64 8.112 9.156 -2.208 517 HB2 SER 64 2HB SER 64 8.887 8.439 -4.393 518 HB3 SER 64 1HB SER 64 7.230 8.308 -4.982 519 HG SER 64 HG SER 64 8.535 10.702 -4.157 520 H VAL 65 H VAL 65 5.057 7.758 -3.163 521 HA VAL 65 HA VAL 65 3.615 10.248 -3.282 522 HB VAL 65 HB VAL 65 2.500 7.436 -3.109 523 HG11 VAL 65 1HG1 VAL 65 0.526 8.391 -4.205 524 HG12 VAL 65 2HG1 VAL 65 1.268 9.992 -4.149 525 HG13 VAL 65 3HG1 VAL 65 0.842 9.162 -2.649 526 HG21 VAL 65 3HG2 VAL 65 2.397 7.477 -5.557 527 HG22 VAL 65 1HG2 VAL 65 4.059 7.613 -4.983 528 HG23 VAL 65 2HG2 VAL 65 3.209 9.044 -5.572 529 HA PRO 66 HA PRO 66 2.977 10.944 1.071 530 HB2 PRO 66 2HB PRO 66 0.412 12.069 0.827 531 HB3 PRO 66 1HB PRO 66 1.948 12.934 0.761 532 HG2 PRO 66 2HG PRO 66 0.229 11.948 -1.474 533 HG3 PRO 66 1HG PRO 66 1.174 13.446 -1.356 534 HD2 PRO 66 2HD PRO 66 2.040 11.404 -2.832 535 HD3 PRO 66 1HD PRO 66 3.179 12.365 -1.864 536 H LEU 67 H LEU 67 1.686 10.344 2.859 537 HA LEU 67 HA LEU 67 0.671 7.694 2.728 538 HB2 LEU 67 2HB LEU 67 1.847 8.580 4.685 539 HB3 LEU 67 1HB LEU 67 0.564 9.745 4.946 540 HG LEU 67 HG LEU 67 -1.007 7.850 5.388 541 HD11 LEU 67 1HD1 LEU 67 0.164 6.102 4.150 542 HD12 LEU 67 2HD1 LEU 67 -0.090 5.632 5.830 543 HD13 LEU 67 3HD1 LEU 67 1.502 6.173 5.299 544 HD21 LEU 67 3HD2 LEU 67 -0.143 7.354 7.618 545 HD22 LEU 67 1HD2 LEU 67 0.059 9.057 7.216 546 HD23 LEU 67 2HD2 LEU 67 1.443 7.967 7.150 547 H LYS 68 H LYS 68 -1.426 6.904 3.001 548 HA LYS 68 HA LYS 68 -3.561 8.732 2.222 549 HB2 LYS 68 2HB LYS 68 -3.264 5.750 2.271 550 HB3 LYS 68 1HB LYS 68 -4.878 6.450 2.272 551 HG2 LYS 68 2HG LYS 68 -3.983 5.833 0.016 552 HG3 LYS 68 1HG LYS 68 -4.532 7.501 0.178 553 HD2 LYS 68 2HD LYS 68 -2.155 8.177 0.552 554 HD3 LYS 68 1HD LYS 68 -1.676 6.514 0.207 555 HE2 LYS 68 2HE LYS 68 -2.506 6.667 -2.030 556 HE3 LYS 68 1HE LYS 68 -3.259 8.229 -1.705 557 HZ1 LYS 68 3HZ LYS 68 -1.182 8.442 -2.924 558 HZ2 LYS 68 1HZ LYS 68 -0.341 7.701 -1.658 559 HZ3 LYS 68 2HZ LYS 68 -1.087 9.197 -1.412 560 H GLU 69 H GLU 69 -5.014 9.547 3.535 561 HA GLU 69 HA GLU 69 -5.149 8.604 6.332 562 HB2 GLU 69 2HB GLU 69 -5.763 11.283 5.071 563 HB3 GLU 69 1HB GLU 69 -6.026 10.917 6.773 564 HG2 GLU 69 2HG GLU 69 -3.676 10.615 7.138 565 HG3 GLU 69 1HG GLU 69 -3.345 10.735 5.410 566 H PHE 70 H PHE 70 -6.700 7.505 4.018 567 HA PHE 70 HA PHE 70 -9.350 8.451 4.020 568 HB2 PHE 70 2HB PHE 70 -8.296 5.696 3.329 569 HB3 PHE 70 1HB PHE 70 -9.922 6.274 2.965 570 HD1 PHE 70 HD2 PHE 70 -9.351 9.039 2.077 571 HD2 PHE 70 HD1 PHE 70 -7.320 5.392 1.221 572 HE1 PHE 70 HE2 PHE 70 -8.550 9.987 -0.043 573 HE2 PHE 70 HE1 PHE 70 -6.515 6.341 -0.902 574 HZ PHE 70 HZ PHE 70 -7.129 8.640 -1.538 575 H ASP 71 H ASP 71 -11.270 7.471 4.860 576 HA ASP 71 HA ASP 71 -10.956 6.829 7.653 577 HB2 ASP 71 2HB ASP 71 -12.647 8.440 6.872 578 HB3 ASP 71 1HB ASP 71 -13.457 7.159 5.979 579 H TYR 72 H TYR 72 -12.300 5.104 8.680 580 HA TYR 72 HA TYR 72 -11.593 2.557 7.765 581 HB2 TYR 72 2HB TYR 72 -12.073 3.094 10.118 582 HB3 TYR 72 1HB TYR 72 -13.772 3.319 9.724 583 HD1 TYR 72 HD2 TYR 72 -11.066 0.748 9.611 584 HD2 TYR 72 HD1 TYR 72 -15.244 1.513 9.931 585 HE1 TYR 72 HE2 TYR 72 -11.466 -1.638 10.054 586 HE2 TYR 72 HE1 TYR 72 -15.653 -0.868 10.375 587 HH TYR 72 HH TYR 72 -14.566 -3.034 9.959 588 H ASN 73 H ASN 73 -12.342 1.423 6.141 589 HA ASN 73 HA ASN 73 -13.668 0.438 4.593 590 HB2 ASN 73 2HB ASN 73 -15.870 1.337 6.452 591 HB3 ASN 73 1HB ASN 73 -16.180 0.429 4.976 592 HD21 ASN 73 1HD2 ASN 73 -13.346 -0.110 6.951 593 HD22 ASN 73 2HD2 ASN 73 -13.816 -1.669 7.517 594 H ALA 74 H ALA 74 -12.924 3.363 4.483 595 HA ALA 74 HA ALA 74 -14.937 4.730 3.014 596 HB1 ALA 74 3HB ALA 74 -13.082 5.909 4.080 597 HB2 ALA 74 1HB ALA 74 -13.146 6.268 2.353 598 HB3 ALA 74 2HB ALA 74 -11.942 5.138 2.976 599 H ARG 75 H ARG 75 -15.447 4.716 0.880 600 HA ARG 75 HA ARG 75 -14.521 2.539 -0.736 601 HB2 ARG 75 2HB ARG 75 -16.409 4.827 -1.317 602 HB3 ARG 75 1HB ARG 75 -16.087 3.514 -2.443 603 HG2 ARG 75 2HG ARG 75 -17.010 1.897 -0.924 604 HG3 ARG 75 1HG ARG 75 -17.174 3.116 0.342 605 HD2 ARG 75 2HD ARG 75 -18.611 3.169 -2.317 606 HD3 ARG 75 1HD ARG 75 -19.314 2.607 -0.799 607 HE ARG 75 HE ARG 75 -18.567 5.050 -0.105 608 HH11 ARG 75 1HH1 ARG 75 -20.223 3.961 -2.916 609 HH12 ARG 75 2HH1 ARG 75 -21.002 5.482 -3.178 610 HH21 ARG 75 1HH2 ARG 75 -19.592 6.981 -0.432 611 HH22 ARG 75 2HH2 ARG 75 -20.654 7.172 -1.781 612 H VAL 76 H VAL 76 -12.684 2.555 -1.839 613 HA VAL 76 HA VAL 76 -11.744 5.058 -3.085 614 HB VAL 76 HB VAL 76 -9.424 4.364 -2.629 615 HG11 VAL 76 1HG1 VAL 76 -10.488 5.873 -1.050 616 HG12 VAL 76 2HG1 VAL 76 -9.416 4.767 -0.193 617 HG13 VAL 76 3HG1 VAL 76 -11.160 4.507 -0.158 618 HG21 VAL 76 3HG2 VAL 76 -8.937 2.516 -1.101 619 HG22 VAL 76 1HG2 VAL 76 -9.784 1.933 -2.535 620 HG23 VAL 76 2HG2 VAL 76 -10.654 2.121 -1.011 621 H GLU 77 H GLU 77 -10.560 4.857 -5.028 622 HA GLU 77 HA GLU 77 -10.478 2.191 -6.279 623 HB2 GLU 77 2HB GLU 77 -10.988 3.221 -8.457 624 HB3 GLU 77 1HB GLU 77 -12.300 3.441 -7.310 625 HG2 GLU 77 2HG GLU 77 -11.627 5.737 -6.923 626 HG3 GLU 77 1HG GLU 77 -10.238 5.533 -7.990 627 H LEU 78 H LEU 78 -8.768 1.953 -7.913 628 HA LEU 78 HA LEU 78 -6.383 3.326 -6.917 629 HB2 LEU 78 2HB LEU 78 -6.703 0.770 -8.486 630 HB3 LEU 78 1HB LEU 78 -5.153 1.455 -8.029 631 HG LEU 78 HG LEU 78 -7.293 0.501 -6.110 632 HD11 LEU 78 1HD1 LEU 78 -4.609 -0.688 -6.810 633 HD12 LEU 78 2HD1 LEU 78 -6.186 -1.340 -7.259 634 HD13 LEU 78 3HD1 LEU 78 -5.709 -1.276 -5.563 635 HD21 LEU 78 3HD2 LEU 78 -5.610 0.888 -4.364 636 HD22 LEU 78 1HD2 LEU 78 -6.049 2.385 -5.183 637 HD23 LEU 78 2HD2 LEU 78 -4.524 1.589 -5.565 638 H ILE 79 H ILE 79 -4.871 4.308 -8.164 639 HA ILE 79 HA ILE 79 -5.569 4.966 -10.939 640 HB ILE 79 HB ILE 79 -3.381 6.092 -9.163 641 HG12 ILE 79 2HG1 ILE 79 -5.628 6.686 -8.347 642 HG13 ILE 79 1HG1 ILE 79 -4.798 8.098 -8.994 643 HG21 ILE 79 1HG2 ILE 79 -2.787 6.263 -11.508 644 HG22 ILE 79 2HG2 ILE 79 -3.192 7.858 -10.875 645 HG23 ILE 79 3HG2 ILE 79 -4.351 6.988 -11.882 646 HD11 ILE 79 3HD1 ILE 79 -6.088 7.889 -11.066 647 HD12 ILE 79 1HD1 ILE 79 -7.122 8.088 -9.652 648 HD13 ILE 79 2HD1 ILE 79 -6.933 6.495 -10.387 649 H ASN 80 H ASN 80 -4.795 3.577 -12.425 650 HA ASN 80 HA ASN 80 -3.428 2.199 -13.611 651 HB2 ASN 80 2HB ASN 80 -1.192 3.644 -12.162 652 HB3 ASN 80 1HB ASN 80 -1.043 2.734 -13.662 653 HD21 ASN 80 1HD2 ASN 80 -0.518 5.572 -13.033 654 HD22 ASN 80 2HD2 ASN 80 -1.460 6.468 -14.166 655 HA PRO 81 HA PRO 81 -2.614 -0.600 -9.926 656 HB2 PRO 81 2HB PRO 81 -4.756 -2.198 -10.034 657 HB3 PRO 81 1HB PRO 81 -4.840 -0.602 -9.279 658 HG2 PRO 81 2HG PRO 81 -5.745 -1.456 -12.007 659 HG3 PRO 81 1HG PRO 81 -6.567 -0.407 -10.837 660 HD2 PRO 81 2HD PRO 81 -5.092 0.513 -12.982 661 HD3 PRO 81 1HD PRO 81 -5.399 1.448 -11.505 662 H ILE 82 H ILE 82 -1.412 -2.432 -10.156 663 HA ILE 82 HA ILE 82 -1.971 -4.268 -12.382 664 HB ILE 82 HB ILE 82 0.447 -4.626 -12.781 665 HG12 ILE 82 2HG1 ILE 82 0.826 -2.200 -10.994 666 HG13 ILE 82 1HG1 ILE 82 1.281 -3.850 -10.585 667 HG21 ILE 82 1HG2 ILE 82 -0.811 -3.126 -14.245 668 HG22 ILE 82 2HG2 ILE 82 0.858 -2.586 -14.068 669 HG23 ILE 82 3HG2 ILE 82 -0.430 -1.763 -13.189 670 HD11 ILE 82 3HD1 ILE 82 3.207 -2.554 -11.261 671 HD12 ILE 82 1HD1 ILE 82 2.450 -2.192 -12.812 672 HD13 ILE 82 2HD1 ILE 82 2.902 -3.852 -12.415 673 H ALA 83 H ALA 83 -1.544 -6.455 -11.953 674 HA ALA 83 HA ALA 83 -1.300 -7.189 -9.153 675 HB1 ALA 83 3HB ALA 83 -2.903 -8.371 -10.577 676 HB2 ALA 83 1HB ALA 83 -1.695 -9.480 -9.931 677 HB3 ALA 83 2HB ALA 83 -1.586 -8.937 -11.605 678 H ASP 84 H ASP 84 0.693 -7.220 -8.260 679 HA ASP 84 HA ASP 84 3.044 -7.506 -9.918 680 HB2 ASP 84 2HB ASP 84 2.813 -5.890 -7.982 681 HB3 ASP 84 1HB ASP 84 2.956 -7.278 -6.907 682 H THR 85 H THR 85 3.301 -9.559 -10.637 683 HA THR 85 HA THR 85 2.868 -11.889 -9.032 684 HB THR 85 HB THR 85 3.863 -13.138 -10.929 685 HG1 THR 85 HG1 THR 85 4.343 -11.746 -12.837 686 HG21 THR 85 3HG2 THR 85 2.177 -12.539 -12.608 687 HG22 THR 85 1HG2 THR 85 1.886 -11.010 -11.779 688 HG23 THR 85 2HG2 THR 85 1.479 -12.533 -10.987 689 H VAL 86 H VAL 86 5.655 -9.870 -9.671 690 HA VAL 86 HA VAL 86 7.606 -11.828 -8.924 691 HB VAL 86 HB VAL 86 9.238 -10.014 -8.950 692 HG11 VAL 86 1HG1 VAL 86 8.607 -11.051 -11.065 693 HG12 VAL 86 2HG1 VAL 86 8.981 -9.343 -11.296 694 HG13 VAL 86 3HG1 VAL 86 7.301 -9.882 -11.266 695 HG21 VAL 86 3HG2 VAL 86 8.592 -7.711 -9.439 696 HG22 VAL 86 1HG2 VAL 86 7.859 -8.255 -7.931 697 HG23 VAL 86 2HG2 VAL 86 6.888 -8.165 -9.399 698 H ALA 87 H ALA 87 5.544 -9.776 -7.102 699 HA ALA 87 HA ALA 87 6.937 -9.309 -4.762 700 HB1 ALA 87 3HB ALA 87 4.669 -8.481 -5.207 701 HB2 ALA 87 1HB ALA 87 4.786 -9.257 -3.628 702 HB3 ALA 87 2HB ALA 87 4.030 -10.108 -4.978 703 H THR 88 H THR 88 4.835 -12.157 -5.333 704 HA THR 88 HA THR 88 5.651 -13.591 -3.043 705 HB THR 88 HB THR 88 3.614 -14.276 -4.088 706 HG1 THR 88 HG1 THR 88 5.065 -15.974 -3.214 707 HG21 THR 88 3HG2 THR 88 3.528 -15.256 -6.347 708 HG22 THR 88 1HG2 THR 88 5.244 -14.907 -6.557 709 HG23 THR 88 2HG2 THR 88 4.090 -13.585 -6.385 710 H ALA 89 H ALA 89 7.088 -13.318 -6.213 711 HA ALA 89 HA ALA 89 8.833 -15.576 -5.984 712 HB1 ALA 89 3HB ALA 89 9.023 -13.166 -7.798 713 HB2 ALA 89 1HB ALA 89 8.172 -14.668 -8.160 714 HB3 ALA 89 2HB ALA 89 9.925 -14.671 -7.976 715 H THR 90 H THR 90 8.969 -12.262 -4.922 716 HA THR 90 HA THR 90 11.845 -12.425 -4.352 717 HB THR 90 HB THR 90 9.955 -10.084 -3.977 718 HG1 THR 90 HG1 THR 90 10.185 -10.507 -6.177 719 HG21 THR 90 3HG2 THR 90 12.025 -8.740 -3.844 720 HG22 THR 90 1HG2 THR 90 12.977 -10.225 -3.891 721 HG23 THR 90 2HG2 THR 90 11.905 -9.906 -2.526 722 H TYR 91 H TYR 91 8.749 -12.080 -2.646 723 HA TYR 91 HA TYR 91 10.163 -12.424 -0.072 724 HB2 TYR 91 2HB TYR 91 7.502 -11.034 -0.478 725 HB3 TYR 91 1HB TYR 91 8.436 -11.119 1.009 726 HD1 TYR 91 HD1 TYR 91 10.594 -9.832 1.182 727 HD2 TYR 91 HD2 TYR 91 7.931 -9.362 -2.110 728 HE1 TYR 91 HE1 TYR 91 11.677 -7.697 0.612 729 HE2 TYR 91 HE2 TYR 91 9.003 -7.229 -2.684 730 HH TYR 91 HH TYR 91 10.325 -5.495 -1.652 731 H GLN 92 H GLN 92 9.961 -14.702 0.008 732 HA GLN 92 HA GLN 92 7.387 -15.971 -0.234 733 HB2 GLN 92 2HB GLN 92 10.049 -16.979 0.793 734 HB3 GLN 92 1HB GLN 92 8.604 -17.979 0.708 735 HG2 GLN 92 2HG GLN 92 9.903 -18.466 -1.207 736 HG3 GLN 92 1HG GLN 92 8.523 -17.516 -1.748 737 HE21 GLN 92 1HE2 GLN 92 9.528 -16.819 -3.602 738 HE22 GLN 92 2HE2 GLN 92 10.846 -15.702 -3.603 739 H GLY 93 H GLY 93 6.071 -16.797 1.407 740 HA2 GLY 93 2HA GLY 93 5.538 -17.161 3.735 741 HA3 GLY 93 1HA GLY 93 6.669 -15.889 4.162 742 H ALA 94 H ALA 94 4.916 -14.968 1.498 743 HA ALA 94 HA ALA 94 2.527 -13.999 2.866 744 HB1 ALA 94 3HB ALA 94 2.892 -11.668 2.257 745 HB2 ALA 94 1HB ALA 94 4.449 -12.076 1.532 746 HB3 ALA 94 2HB ALA 94 4.218 -12.235 3.274 747 H ASP 95 H ASP 95 2.974 -15.926 0.872 748 HA ASP 95 HA ASP 95 2.916 -14.841 -1.773 749 HB2 ASP 95 2HB ASP 95 2.348 -17.705 -1.004 750 HB3 ASP 95 1HB ASP 95 3.053 -17.097 -2.499 751 H VAL 96 H VAL 96 0.491 -16.469 0.283 752 HA VAL 96 HA VAL 96 -1.403 -16.758 -1.830 753 HB VAL 96 HB VAL 96 -1.341 -18.285 0.094 754 HG11 VAL 96 1HG1 VAL 96 -2.465 -15.963 1.669 755 HG12 VAL 96 2HG1 VAL 96 -0.870 -16.690 1.877 756 HG13 VAL 96 3HG1 VAL 96 -2.321 -17.626 2.244 757 HG21 VAL 96 3HG2 VAL 96 -3.969 -16.845 -0.269 758 HG22 VAL 96 1HG2 VAL 96 -3.771 -18.461 0.414 759 HG23 VAL 96 2HG2 VAL 96 -3.348 -18.156 -1.270 760 H ASP 97 H ASP 97 -0.970 -14.278 0.666 761 HA ASP 97 HA ASP 97 -3.389 -12.901 -0.214 762 HB2 ASP 97 2HB ASP 97 -1.328 -12.166 1.877 763 HB3 ASP 97 1HB ASP 97 -2.747 -11.190 1.494 764 H TRP 98 H TRP 98 -2.794 -12.606 -2.351 765 HA TRP 98 HA TRP 98 -0.444 -11.570 -3.344 766 HB2 TRP 98 2HB TRP 98 -1.695 -11.129 -5.426 767 HB3 TRP 98 1HB TRP 98 -2.015 -12.720 -4.756 768 HD1 TRP 98 HD1 TRP 98 -4.361 -12.005 -2.715 769 HE1 TRP 98 HE1 TRP 98 -6.656 -11.314 -3.622 770 HE3 TRP 98 HE3 TRP 98 -2.956 -10.491 -7.394 771 HZ2 TRP 98 HZ2 TRP 98 -7.743 -10.266 -6.014 772 HZ3 TRP 98 HZ3 TRP 98 -4.687 -9.657 -8.930 773 HH2 TRP 98 HH2 TRP 98 -7.032 -9.549 -8.252 774 H TYR 99 H TYR 99 0.222 -9.651 -4.188 775 HA TYR 99 HA TYR 99 -0.874 -7.249 -2.899 776 HB2 TYR 99 2HB TYR 99 1.879 -7.885 -3.982 777 HB3 TYR 99 1HB TYR 99 1.400 -6.279 -3.447 778 HD1 TYR 99 HD1 TYR 99 1.846 -9.793 -2.289 779 HD2 TYR 99 HD2 TYR 99 1.467 -5.699 -1.166 780 HE1 TYR 99 HE1 TYR 99 2.461 -10.371 0.021 781 HE2 TYR 99 HE2 TYR 99 2.086 -6.274 1.139 782 HH TYR 99 HH TYR 99 1.934 -8.351 2.603 783 H ILE 100 H ILE 100 -2.008 -5.900 -4.124 784 HA ILE 100 HA ILE 100 -1.548 -5.790 -7.030 785 HB ILE 100 HB ILE 100 -3.786 -4.545 -5.400 786 HG12 ILE 100 2HG1 ILE 100 -3.773 -7.019 -7.157 787 HG13 ILE 100 1HG1 ILE 100 -3.905 -7.003 -5.402 788 HG21 ILE 100 1HG2 ILE 100 -3.306 -3.302 -7.460 789 HG22 ILE 100 2HG2 ILE 100 -4.865 -4.122 -7.557 790 HG23 ILE 100 3HG2 ILE 100 -3.466 -4.789 -8.399 791 HD11 ILE 100 3HD1 ILE 100 -6.042 -5.810 -5.596 792 HD12 ILE 100 1HD1 ILE 100 -6.062 -7.375 -6.411 793 HD13 ILE 100 2HD1 ILE 100 -5.910 -5.892 -7.352 794 H LYS 101 H LYS 101 0.009 -4.351 -7.573 795 HA LYS 101 HA LYS 101 0.449 -2.020 -5.859 796 HB2 LYS 101 2HB LYS 101 2.128 -3.288 -8.027 797 HB3 LYS 101 1HB LYS 101 2.570 -1.789 -7.213 798 HG2 LYS 101 2HG LYS 101 2.652 -2.930 -5.076 799 HG3 LYS 101 1HG LYS 101 2.107 -4.428 -5.826 800 HD2 LYS 101 2HD LYS 101 4.531 -4.425 -5.425 801 HD3 LYS 101 1HD LYS 101 4.145 -4.541 -7.142 802 HE2 LYS 101 2HE LYS 101 4.672 -2.219 -7.478 803 HE3 LYS 101 1HE LYS 101 4.879 -1.971 -5.742 804 HZ1 LYS 101 3HZ LYS 101 6.826 -3.251 -5.732 805 HZ2 LYS 101 1HZ LYS 101 6.969 -2.258 -7.094 806 HZ3 LYS 101 2HZ LYS 101 6.539 -3.885 -7.275 807 H ALA 102 H ALA 102 -0.015 0.009 -6.414 808 HA ALA 102 HA ALA 102 -0.839 0.561 -9.199 809 HB1 ALA 102 3HB ALA 102 -2.148 1.647 -6.699 810 HB2 ALA 102 1HB ALA 102 -2.796 0.363 -7.720 811 HB3 ALA 102 2HB ALA 102 -2.620 1.996 -8.364 812 H ASP 103 H ASP 103 -1.002 3.042 -9.538 813 HA ASP 103 HA ASP 103 1.554 4.200 -8.842 814 HB2 ASP 103 2HB ASP 103 0.485 4.400 -11.111 815 HB3 ASP 103 1HB ASP 103 -0.725 5.458 -10.389 816 H ASP 104 H ASP 104 -1.851 4.752 -8.053 817 HA ASP 104 HA ASP 104 -1.146 6.022 -5.571 818 HB2 ASP 104 2HB ASP 104 -0.998 7.909 -7.231 819 HB3 ASP 104 1HB ASP 104 -2.706 7.677 -7.578 820 H ILE 105 H ILE 105 -3.131 6.630 -4.291 821 HA ILE 105 HA ILE 105 -5.425 4.888 -4.984 822 HB ILE 105 HB ILE 105 -4.392 5.417 -2.182 823 HG12 ILE 105 2HG1 ILE 105 -4.110 2.927 -3.892 824 HG13 ILE 105 1HG1 ILE 105 -2.806 4.020 -3.448 825 HG21 ILE 105 1HG2 ILE 105 -6.506 3.500 -3.180 826 HG22 ILE 105 2HG2 ILE 105 -6.799 4.998 -2.294 827 HG23 ILE 105 3HG2 ILE 105 -5.959 3.660 -1.510 828 HD11 ILE 105 3HD1 ILE 105 -2.783 2.000 -2.098 829 HD12 ILE 105 1HD1 ILE 105 -4.417 2.341 -1.537 830 HD13 ILE 105 2HD1 ILE 105 -3.094 3.423 -1.103 831 H VAL 106 H VAL 106 -7.254 6.038 -5.262 832 HA VAL 106 HA VAL 106 -7.596 8.564 -3.750 833 HB VAL 106 HB VAL 106 -8.783 9.509 -5.693 834 HG11 VAL 106 1HG1 VAL 106 -6.397 9.966 -5.412 835 HG12 VAL 106 2HG1 VAL 106 -6.837 9.903 -7.118 836 HG13 VAL 106 3HG1 VAL 106 -6.004 8.539 -6.371 837 HG21 VAL 106 3HG2 VAL 106 -8.677 8.406 -7.879 838 HG22 VAL 106 1HG2 VAL 106 -9.564 7.428 -6.714 839 HG23 VAL 106 2HG2 VAL 106 -7.908 7.002 -7.142 840 H LEU 107 H LEU 107 -9.923 9.271 -3.621 841 HA LEU 107 HA LEU 107 -11.610 7.149 -2.724 842 HB2 LEU 107 2HB LEU 107 -12.200 10.068 -3.253 843 HB3 LEU 107 1HB LEU 107 -13.340 8.956 -2.517 844 HG LEU 107 HG LEU 107 -10.652 9.719 -1.352 845 HD11 LEU 107 1HD1 LEU 107 -11.969 10.936 0.325 846 HD12 LEU 107 2HD1 LEU 107 -13.444 10.571 -0.574 847 HD13 LEU 107 3HD1 LEU 107 -12.198 11.591 -1.297 848 HD21 LEU 107 3HD2 LEU 107 -11.414 8.551 0.651 849 HD22 LEU 107 1HD2 LEU 107 -11.355 7.452 -0.730 850 HD23 LEU 107 2HD2 LEU 107 -12.904 8.084 -0.170 851 H THR 108 H THR 108 -13.483 6.286 -3.649 852 HA THR 108 HA THR 108 -13.481 5.975 -6.452 853 HB THR 108 HB THR 108 -15.764 5.357 -4.552 854 HG1 THR 108 HG1 THR 108 -13.643 3.696 -5.501 855 HG21 THR 108 3HG2 THR 108 -16.463 5.372 -6.909 856 HG22 THR 108 1HG2 THR 108 -16.440 3.727 -6.270 857 HG23 THR 108 2HG2 THR 108 -15.134 4.286 -7.314 858 H LEU 109 H LEU 109 -14.193 7.280 -7.992 859 HA LEU 109 HA LEU 109 -15.603 9.683 -7.526 860 HB2 LEU 109 2HB LEU 109 -15.164 8.166 -10.101 861 HB3 LEU 109 1HB LEU 109 -15.719 9.829 -9.991 862 HG LEU 109 HG LEU 109 -13.031 8.864 -8.979 863 HD11 LEU 109 1HD1 LEU 109 -12.087 9.956 -10.939 864 HD12 LEU 109 2HD1 LEU 109 -13.706 10.326 -11.530 865 HD13 LEU 109 3HD1 LEU 109 -13.173 8.649 -11.406 866 HD21 LEU 109 3HD2 LEU 109 -14.164 11.644 -9.351 867 HD22 LEU 109 1HD2 LEU 109 -12.505 11.265 -8.882 868 HD23 LEU 109 2HD2 LEU 109 -13.842 10.839 -7.815 869 H GLU 110 H GLU 110 -17.555 9.305 -6.513 870 HA GLU 110 HA GLU 110 -19.564 7.573 -7.677 871 HB2 GLU 110 2HB GLU 110 -19.641 9.513 -5.355 872 HB3 GLU 110 1HB GLU 110 -21.002 8.507 -5.831 873 HG2 GLU 110 2HG GLU 110 -18.306 7.435 -5.005 874 HG3 GLU 110 1HG GLU 110 -19.675 7.628 -3.913 Start of MODEL 3 1 H1 MET 1 1H MET 1 -29.855 14.444 -35.274 2 H2 MET 1 2H MET 1 -29.741 14.598 -36.951 3 H3 MET 1 3H MET 1 -31.234 14.806 -36.187 4 HA MET 1 HA MET 1 -30.286 16.914 -36.854 5 HB2 MET 1 2HB MET 1 -30.502 18.067 -34.691 6 HB3 MET 1 1HB MET 1 -31.757 16.858 -34.909 7 HG2 MET 1 2HG MET 1 -29.305 16.637 -33.175 8 HG3 MET 1 1HG MET 1 -30.982 16.770 -32.645 9 HE1 MET 1 3HE MET 1 -30.639 14.640 -31.048 10 HE2 MET 1 1HE MET 1 -28.958 14.545 -31.581 11 HE3 MET 1 2HE MET 1 -29.976 13.106 -31.615 12 H MET 2 H MET 2 -28.215 15.253 -34.454 13 HA MET 2 HA MET 2 -25.802 16.017 -35.651 14 HB2 MET 2 2HB MET 2 -24.959 17.677 -34.022 15 HB3 MET 2 1HB MET 2 -26.329 18.285 -34.939 16 HG2 MET 2 2HG MET 2 -27.791 17.690 -32.997 17 HG3 MET 2 1HG MET 2 -26.325 17.320 -32.088 18 HE1 MET 2 3HE MET 2 -26.990 19.063 -30.182 19 HE2 MET 2 1HE MET 2 -28.486 19.382 -31.061 20 HE3 MET 2 2HE MET 2 -27.476 20.724 -30.523 21 H ARG 3 H ARG 3 -24.185 14.763 -34.871 22 HA ARG 3 HA ARG 3 -24.827 13.083 -32.533 23 HB2 ARG 3 2HB ARG 3 -22.882 12.597 -34.800 24 HB3 ARG 3 1HB ARG 3 -23.205 11.482 -33.479 25 HG2 ARG 3 2HG ARG 3 -25.524 11.255 -34.228 26 HG3 ARG 3 1HG ARG 3 -25.210 12.385 -35.547 27 HD2 ARG 3 2HD ARG 3 -25.120 10.059 -36.310 28 HD3 ARG 3 1HD ARG 3 -23.560 10.861 -36.487 29 HE ARG 3 HE ARG 3 -23.999 9.275 -34.078 30 HH11 ARG 3 1HH1 ARG 3 -22.542 9.536 -37.187 31 HH12 ARG 3 2HH1 ARG 3 -21.413 8.262 -36.887 32 HH21 ARG 3 1HH2 ARG 3 -22.569 7.626 -33.704 33 HH22 ARG 3 2HH2 ARG 3 -21.436 7.186 -34.935 34 H LEU 4 H LEU 4 -23.482 12.937 -30.796 35 HA LEU 4 HA LEU 4 -21.119 14.694 -30.741 36 HB2 LEU 4 2HB LEU 4 -22.695 13.403 -28.503 37 HB3 LEU 4 1HB LEU 4 -21.231 14.330 -28.253 38 HG LEU 4 HG LEU 4 -23.071 15.745 -27.725 39 HD11 LEU 4 1HD1 LEU 4 -21.256 16.842 -28.911 40 HD12 LEU 4 2HD1 LEU 4 -22.802 17.587 -29.306 41 HD13 LEU 4 3HD1 LEU 4 -22.033 16.494 -30.456 42 HD21 LEU 4 3HD2 LEU 4 -24.851 14.547 -28.879 43 HD22 LEU 4 1HD2 LEU 4 -24.228 15.094 -30.437 44 HD23 LEU 4 2HD2 LEU 4 -24.882 16.262 -29.289 45 H ALA 5 H ALA 5 -19.367 13.756 -29.112 46 HA ALA 5 HA ALA 5 -18.265 11.437 -30.354 47 HB1 ALA 5 3HB ALA 5 -16.888 13.268 -29.461 48 HB2 ALA 5 1HB ALA 5 -16.422 11.705 -28.785 49 HB3 ALA 5 2HB ALA 5 -17.380 12.834 -27.825 50 H ASN 6 H ASN 6 -20.336 11.874 -27.630 51 HA ASN 6 HA ASN 6 -19.670 9.521 -26.171 52 HB2 ASN 6 2HB ASN 6 -20.864 11.405 -25.145 53 HB3 ASN 6 1HB ASN 6 -22.245 11.117 -26.199 54 HD21 ASN 6 1HD2 ASN 6 -20.264 8.701 -24.557 55 HD22 ASN 6 2HD2 ASN 6 -21.533 8.091 -23.561 56 H GLY 7 H GLY 7 -19.866 7.520 -26.997 57 HA2 GLY 7 2HA GLY 7 -22.307 6.855 -28.544 58 HA3 GLY 7 1HA GLY 7 -20.769 6.016 -28.692 59 H ILE 8 H ILE 8 -20.015 4.815 -26.764 60 HA ILE 8 HA ILE 8 -22.303 3.528 -25.411 61 HB ILE 8 HB ILE 8 -20.845 1.581 -25.081 62 HG12 ILE 8 2HG1 ILE 8 -18.796 3.134 -26.700 63 HG13 ILE 8 1HG1 ILE 8 -18.680 2.786 -24.977 64 HG21 ILE 8 1HG2 ILE 8 -22.231 1.651 -27.069 65 HG22 ILE 8 2HG2 ILE 8 -20.699 0.862 -27.437 66 HG23 ILE 8 3HG2 ILE 8 -20.978 2.526 -27.951 67 HD11 ILE 8 3HD1 ILE 8 -17.285 1.287 -26.260 68 HD12 ILE 8 1HD1 ILE 8 -18.678 0.754 -27.200 69 HD13 ILE 8 2HD1 ILE 8 -18.588 0.394 -25.475 70 H VAL 9 H VAL 9 -22.012 2.799 -23.192 71 HA VAL 9 HA VAL 9 -19.959 4.269 -21.656 72 HB VAL 9 HB VAL 9 -22.860 3.940 -20.827 73 HG11 VAL 9 1HG1 VAL 9 -20.575 5.337 -19.422 74 HG12 VAL 9 2HG1 VAL 9 -21.341 3.829 -18.919 75 HG13 VAL 9 3HG1 VAL 9 -22.257 5.336 -18.896 76 HG21 VAL 9 3HG2 VAL 9 -23.001 6.388 -21.010 77 HG22 VAL 9 1HG2 VAL 9 -22.622 5.642 -22.563 78 HG23 VAL 9 2HG2 VAL 9 -21.351 6.436 -21.633 79 H LEU 10 H LEU 10 -18.709 2.823 -20.607 80 HA LEU 10 HA LEU 10 -19.402 0.100 -20.281 81 HB2 LEU 10 2HB LEU 10 -17.372 -0.007 -18.800 82 HB3 LEU 10 1HB LEU 10 -17.102 0.600 -20.419 83 HG LEU 10 HG LEU 10 -17.142 2.940 -19.440 84 HD11 LEU 10 1HD1 LEU 10 -16.670 3.174 -17.048 85 HD12 LEU 10 2HD1 LEU 10 -16.939 1.445 -16.828 86 HD13 LEU 10 3HD1 LEU 10 -18.268 2.487 -17.333 87 HD21 LEU 10 3HD2 LEU 10 -15.077 1.802 -20.072 88 HD22 LEU 10 1HD2 LEU 10 -14.992 1.062 -18.472 89 HD23 LEU 10 2HD2 LEU 10 -14.842 2.811 -18.646 90 H ASP 11 H ASP 11 -19.353 -1.044 -18.113 91 HA ASP 11 HA ASP 11 -21.202 0.344 -16.299 92 HB2 ASP 11 2HB ASP 11 -21.704 -1.963 -15.446 93 HB3 ASP 11 1HB ASP 11 -22.096 -1.710 -17.143 94 H LYS 12 H LYS 12 -18.508 -2.003 -15.939 95 HA LYS 12 HA LYS 12 -17.023 -0.426 -14.134 96 HB2 LYS 12 2HB LYS 12 -18.866 -0.887 -12.589 97 HB3 LYS 12 1HB LYS 12 -18.694 -2.614 -12.862 98 HG2 LYS 12 2HG LYS 12 -16.631 -2.691 -11.706 99 HG3 LYS 12 1HG LYS 12 -16.472 -0.934 -11.720 100 HD2 LYS 12 2HD LYS 12 -17.137 -1.775 -9.504 101 HD3 LYS 12 1HD LYS 12 -18.368 -0.723 -10.203 102 HE2 LYS 12 2HE LYS 12 -19.588 -2.768 -10.959 103 HE3 LYS 12 1HE LYS 12 -18.407 -3.740 -10.080 104 HZ1 LYS 12 3HZ LYS 12 -20.385 -3.391 -8.763 105 HZ2 LYS 12 1HZ LYS 12 -20.225 -1.712 -8.892 106 HZ3 LYS 12 2HZ LYS 12 -19.075 -2.612 -8.039 107 H ASP 13 H ASP 13 -15.147 -1.045 -15.051 108 HA ASP 13 HA ASP 13 -14.675 -3.703 -16.004 109 HB2 ASP 13 2HB ASP 13 -12.389 -2.807 -16.532 110 HB3 ASP 13 1HB ASP 13 -13.715 -1.866 -17.213 111 H THR 14 H THR 14 -14.165 -2.191 -12.952 112 HA THR 14 HA THR 14 -11.954 -3.774 -12.077 113 HB THR 14 HB THR 14 -12.593 -3.031 -9.774 114 HG1 THR 14 HG1 THR 14 -14.524 -2.248 -9.446 115 HG21 THR 14 3HG2 THR 14 -11.102 -1.653 -11.155 116 HG22 THR 14 1HG2 THR 14 -12.133 -0.647 -10.136 117 HG23 THR 14 2HG2 THR 14 -12.499 -0.832 -11.851 118 H THR 15 H THR 15 -12.294 -5.926 -12.379 119 HA THR 15 HA THR 15 -14.642 -7.377 -11.920 120 HB THR 15 HB THR 15 -13.211 -9.405 -11.914 121 HG1 THR 15 HG1 THR 15 -10.856 -8.732 -12.439 122 HG21 THR 15 3HG2 THR 15 -13.880 -8.402 -14.050 123 HG22 THR 15 1HG2 THR 15 -12.272 -9.113 -14.164 124 HG23 THR 15 2HG2 THR 15 -12.454 -7.365 -14.018 125 H PHE 16 H PHE 16 -12.485 -6.093 -9.613 126 HA PHE 16 HA PHE 16 -13.136 -7.978 -7.502 127 HB2 PHE 16 2HB PHE 16 -11.719 -5.306 -7.304 128 HB3 PHE 16 1HB PHE 16 -11.757 -6.563 -6.075 129 HD1 PHE 16 HD1 PHE 16 -10.673 -8.814 -6.647 130 HD2 PHE 16 HD2 PHE 16 -10.031 -5.259 -8.908 131 HE1 PHE 16 HE1 PHE 16 -8.604 -9.776 -7.572 132 HE2 PHE 16 HE2 PHE 16 -7.965 -6.216 -9.833 133 HZ PHE 16 HZ PHE 16 -7.245 -8.476 -9.166 134 H GLY 17 H GLY 17 -14.927 -5.662 -8.947 135 HA2 GLY 17 2HA GLY 17 -16.829 -4.506 -8.310 136 HA3 GLY 17 1HA GLY 17 -16.643 -5.171 -6.691 137 H GLU 18 H GLU 18 -17.015 -3.194 -5.615 138 HA GLU 18 HA GLU 18 -15.200 -0.977 -6.124 139 HB2 GLU 18 2HB GLU 18 -17.129 -1.220 -3.806 140 HB3 GLU 18 1HB GLU 18 -16.398 0.243 -4.446 141 HG2 GLU 18 2HG GLU 18 -18.498 0.416 -5.323 142 HG3 GLU 18 1HG GLU 18 -17.687 -0.443 -6.634 143 H LEU 19 H LEU 19 -13.326 -0.608 -5.068 144 HA LEU 19 HA LEU 19 -12.485 -2.441 -2.974 145 HB2 LEU 19 2HB LEU 19 -11.025 -0.089 -4.200 146 HB3 LEU 19 1HB LEU 19 -10.325 -1.275 -3.113 147 HG LEU 19 HG LEU 19 -11.337 -1.796 -5.917 148 HD11 LEU 19 1HD1 LEU 19 -9.211 -0.609 -5.859 149 HD12 LEU 19 2HD1 LEU 19 -8.994 -2.265 -6.425 150 HD13 LEU 19 3HD1 LEU 19 -8.544 -1.832 -4.776 151 HD21 LEU 19 3HD2 LEU 19 -10.080 -3.720 -3.956 152 HD22 LEU 19 1HD2 LEU 19 -10.518 -4.074 -5.627 153 HD23 LEU 19 2HD2 LEU 19 -11.775 -3.710 -4.444 154 H LYS 20 H LYS 20 -12.583 -2.025 -0.841 155 HA LYS 20 HA LYS 20 -13.121 0.753 0.000 156 HB2 LYS 20 2HB LYS 20 -14.463 -1.786 0.925 157 HB3 LYS 20 1HB LYS 20 -14.540 -0.291 1.854 158 HG2 LYS 20 2HG LYS 20 -15.538 0.848 -0.094 159 HG3 LYS 20 1HG LYS 20 -15.504 -0.673 -0.984 160 HD2 LYS 20 2HD LYS 20 -16.976 -0.318 1.629 161 HD3 LYS 20 1HD LYS 20 -17.723 -0.034 0.058 162 HE2 LYS 20 2HE LYS 20 -17.208 -2.365 -0.584 163 HE3 LYS 20 1HE LYS 20 -16.527 -2.637 1.022 164 HZ1 LYS 20 3HZ LYS 20 -18.677 -2.200 1.989 165 HZ2 LYS 20 1HZ LYS 20 -18.818 -3.423 0.832 166 HZ3 LYS 20 2HZ LYS 20 -19.342 -1.852 0.476 167 H PHE 21 H PHE 21 -11.669 1.566 1.249 168 HA PHE 21 HA PHE 21 -9.347 0.256 2.090 169 HB2 PHE 21 2HB PHE 21 -9.491 2.656 1.600 170 HB3 PHE 21 1HB PHE 21 -10.520 2.897 3.005 171 HD1 PHE 21 HD2 PHE 21 -7.104 1.791 2.011 172 HD2 PHE 21 HD1 PHE 21 -9.572 3.420 5.082 173 HE1 PHE 21 HE2 PHE 21 -5.110 2.222 3.384 174 HE2 PHE 21 HE1 PHE 21 -7.577 3.857 6.452 175 HZ PHE 21 HZ PHE 21 -5.345 3.256 5.606 176 H SER 22 H SER 22 -8.461 -0.105 4.213 177 HA SER 22 HA SER 22 -10.400 -0.195 6.441 178 HB2 SER 22 2HB SER 22 -8.495 -2.389 5.616 179 HB3 SER 22 1HB SER 22 -9.173 -2.293 7.242 180 HG SER 22 HG SER 22 -10.738 -3.374 6.372 181 H ALA 23 H ALA 23 -6.907 -0.817 5.922 182 HA ALA 23 HA ALA 23 -6.152 1.325 7.692 183 HB1 ALA 23 3HB ALA 23 -5.737 -1.515 8.635 184 HB2 ALA 23 1HB ALA 23 -6.859 -0.345 9.330 185 HB3 ALA 23 2HB ALA 23 -5.120 -0.062 9.423 186 H LEU 24 H LEU 24 -3.686 0.978 8.310 187 HA LEU 24 HA LEU 24 -2.237 0.519 5.820 188 HB2 LEU 24 2HB LEU 24 -1.775 2.525 7.155 189 HB3 LEU 24 1HB LEU 24 -1.335 1.528 8.527 190 HG LEU 24 HG LEU 24 0.590 0.634 7.200 191 HD11 LEU 24 1HD1 LEU 24 -0.200 2.781 5.229 192 HD12 LEU 24 2HD1 LEU 24 -0.257 1.040 4.955 193 HD13 LEU 24 3HD1 LEU 24 1.295 1.844 5.190 194 HD21 LEU 24 3HD2 LEU 24 0.899 2.435 8.814 195 HD22 LEU 24 1HD2 LEU 24 0.514 3.631 7.575 196 HD23 LEU 24 2HD2 LEU 24 1.968 2.645 7.428 197 H ARG 25 H ARG 25 -1.330 -1.419 5.376 198 HA ARG 25 HA ARG 25 -1.273 -3.519 7.341 199 HB2 ARG 25 2HB ARG 25 -1.805 -3.916 4.947 200 HB3 ARG 25 1HB ARG 25 -0.154 -3.483 4.525 201 HG2 ARG 25 2HG ARG 25 -0.418 -5.887 4.527 202 HG3 ARG 25 1HG ARG 25 0.676 -5.399 5.826 203 HD2 ARG 25 2HD ARG 25 -1.030 -5.700 7.471 204 HD3 ARG 25 1HD ARG 25 -2.266 -5.923 6.235 205 HE ARG 25 HE ARG 25 -0.112 -7.847 6.822 206 HH11 ARG 25 1HH1 ARG 25 -3.266 -7.108 5.641 207 HH12 ARG 25 2HH1 ARG 25 -3.687 -8.777 5.436 208 HH21 ARG 25 1HH2 ARG 25 -0.675 -9.979 6.556 209 HH22 ARG 25 2HH2 ARG 25 -2.242 -10.374 5.939 210 H ARG 26 H ARG 26 1.271 -1.940 5.402 211 HA ARG 26 HA ARG 26 3.123 -1.746 7.531 212 HB2 ARG 26 2HB ARG 26 3.395 -4.142 7.361 213 HB3 ARG 26 1HB ARG 26 3.551 -4.052 5.610 214 HG2 ARG 26 2HG ARG 26 5.657 -2.751 5.919 215 HG3 ARG 26 1HG ARG 26 5.520 -3.020 7.654 216 HD2 ARG 26 2HD ARG 26 5.669 -5.228 5.606 217 HD3 ARG 26 1HD ARG 26 7.067 -4.585 6.463 218 HE ARG 26 HE ARG 26 4.977 -5.476 8.218 219 HH11 ARG 26 1HH1 ARG 26 7.739 -6.452 6.397 220 HH12 ARG 26 2HH1 ARG 26 8.021 -7.856 7.366 221 HH21 ARG 26 1HH2 ARG 26 5.372 -7.275 9.472 222 HH22 ARG 26 2HH2 ARG 26 6.709 -8.307 9.091 223 H GLU 27 H GLU 27 4.499 -0.116 6.989 224 HA GLU 27 HA GLU 27 4.880 0.570 4.175 225 HB2 GLU 27 2HB GLU 27 6.085 1.930 6.598 226 HB3 GLU 27 1HB GLU 27 5.968 2.575 4.964 227 HG2 GLU 27 2HG GLU 27 3.537 2.658 5.158 228 HG3 GLU 27 1HG GLU 27 3.640 1.993 6.788 229 H VAL 28 H VAL 28 6.255 -0.883 3.228 230 HA VAL 28 HA VAL 28 8.397 -2.139 4.614 231 HB VAL 28 HB VAL 28 9.096 -3.011 2.398 232 HG11 VAL 28 1HG1 VAL 28 7.400 -4.178 3.715 233 HG12 VAL 28 2HG1 VAL 28 7.085 -4.348 1.987 234 HG13 VAL 28 3HG1 VAL 28 6.131 -3.218 2.951 235 HG21 VAL 28 3HG2 VAL 28 6.817 -1.326 1.340 236 HG22 VAL 28 1HG2 VAL 28 7.712 -2.533 0.416 237 HG23 VAL 28 2HG2 VAL 28 8.532 -1.088 1.003 238 H ARG 29 H ARG 29 10.331 -1.354 5.104 239 HA ARG 29 HA ARG 29 11.185 1.138 3.820 240 HB2 ARG 29 2HB ARG 29 12.085 -0.127 6.418 241 HB3 ARG 29 1HB ARG 29 12.664 1.411 5.783 242 HG2 ARG 29 2HG ARG 29 10.282 2.215 5.819 243 HG3 ARG 29 1HG ARG 29 9.869 0.733 6.681 244 HD2 ARG 29 2HD ARG 29 11.430 1.358 8.478 245 HD3 ARG 29 1HD ARG 29 11.820 2.847 7.611 246 HE ARG 29 HE ARG 29 9.043 2.312 8.413 247 HH11 ARG 29 1HH1 ARG 29 11.863 4.280 8.589 248 HH12 ARG 29 2HH1 ARG 29 11.071 5.512 9.506 249 HH21 ARG 29 1HH2 ARG 29 8.043 3.910 9.563 250 HH22 ARG 29 2HH2 ARG 29 8.946 5.302 10.059 251 H ILE 30 H ILE 30 13.646 1.436 3.763 252 HA ILE 30 HA ILE 30 14.545 -0.557 1.865 253 HB ILE 30 HB ILE 30 15.850 2.041 2.706 254 HG12 ILE 30 2HG1 ILE 30 14.107 1.486 0.286 255 HG13 ILE 30 1HG1 ILE 30 13.529 2.261 1.755 256 HG21 ILE 30 1HG2 ILE 30 17.411 0.472 1.639 257 HG22 ILE 30 2HG2 ILE 30 17.105 1.877 0.621 258 HG23 ILE 30 3HG2 ILE 30 16.328 0.336 0.253 259 HD11 ILE 30 3HD1 ILE 30 13.996 3.891 0.036 260 HD12 ILE 30 1HD1 ILE 30 15.664 3.326 -0.080 261 HD13 ILE 30 2HD1 ILE 30 15.093 4.100 1.400 262 H GLN 31 H GLN 31 15.330 -2.366 2.883 263 HA GLN 31 HA GLN 31 17.138 -2.212 5.125 264 HB2 GLN 31 2HB GLN 31 15.556 -4.077 4.887 265 HB3 GLN 31 1HB GLN 31 16.339 -4.564 3.391 266 HG2 GLN 31 2HG GLN 31 18.328 -5.201 4.553 267 HG3 GLN 31 1HG GLN 31 17.741 -4.492 6.060 268 HE21 GLN 31 1HE2 GLN 31 17.940 -6.444 7.163 269 HE22 GLN 31 2HE2 GLN 31 16.857 -7.762 6.903 270 H ASN 32 H ASN 32 19.290 -1.927 5.017 271 HA ASN 32 HA ASN 32 20.557 -1.420 2.526 272 HB2 ASN 32 2HB ASN 32 21.767 -1.732 5.286 273 HB3 ASN 32 1HB ASN 32 22.607 -1.080 3.882 274 HD21 ASN 32 1HD2 ASN 32 22.081 0.185 6.420 275 HD22 ASN 32 2HD2 ASN 32 21.172 1.612 6.069 276 H GLU 33 H GLU 33 22.333 -2.453 1.561 277 HA GLU 33 HA GLU 33 22.380 -5.245 1.369 278 HB2 GLU 33 2HB GLU 33 24.486 -4.957 0.161 279 HB3 GLU 33 1HB GLU 33 23.356 -3.690 -0.307 280 HG2 GLU 33 2HG GLU 33 24.472 -2.112 1.170 281 HG3 GLU 33 1HG GLU 33 25.573 -3.373 1.714 282 H ASP 34 H ASP 34 24.062 -3.050 3.491 283 HA ASP 34 HA ASP 34 26.106 -4.663 4.482 284 HB2 ASP 34 2HB ASP 34 24.566 -2.506 5.951 285 HB3 ASP 34 1HB ASP 34 26.171 -3.101 6.362 286 H GLY 35 H GLY 35 22.701 -4.679 5.216 287 HA2 GLY 35 2HA GLY 35 21.956 -6.872 6.196 288 HA3 GLY 35 1HA GLY 35 23.171 -6.590 7.434 289 H SER 36 H SER 36 22.744 -3.864 7.916 290 HA SER 36 HA SER 36 20.403 -3.945 9.577 291 HB2 SER 36 2HB SER 36 22.343 -1.693 8.984 292 HB3 SER 36 1HB SER 36 21.056 -1.610 10.185 293 HG SER 36 HG SER 36 22.069 -3.139 11.395 294 H VAL 37 H VAL 37 18.594 -2.548 9.501 295 HA VAL 37 HA VAL 37 17.711 -1.947 6.792 296 HB VAL 37 HB VAL 37 16.179 -1.652 9.389 297 HG11 VAL 37 1HG1 VAL 37 15.183 -0.388 7.580 298 HG12 VAL 37 2HG1 VAL 37 14.187 -1.803 7.925 299 HG13 VAL 37 3HG1 VAL 37 15.250 -1.793 6.516 300 HG21 VAL 37 3HG2 VAL 37 16.953 -3.959 9.099 301 HG22 VAL 37 1HG2 VAL 37 16.244 -4.001 7.483 302 HG23 VAL 37 2HG2 VAL 37 15.203 -3.845 8.900 303 H SER 38 H SER 38 17.423 0.078 5.943 304 HA SER 38 HA SER 38 18.289 2.395 7.476 305 HB2 SER 38 2HB SER 38 18.939 2.194 5.099 306 HB3 SER 38 1HB SER 38 17.238 2.231 4.633 307 HG SER 38 HG SER 38 18.129 4.293 4.431 308 H ASP 39 H ASP 39 16.973 4.258 7.879 309 HA ASP 39 HA ASP 39 14.315 3.559 8.683 310 HB2 ASP 39 2HB ASP 39 14.183 5.905 9.495 311 HB3 ASP 39 1HB ASP 39 15.607 5.047 10.075 312 H GLU 40 H GLU 40 15.586 4.811 5.774 313 HA GLU 40 HA GLU 40 13.390 6.335 4.849 314 HB2 GLU 40 2HB GLU 40 15.397 4.710 3.267 315 HB3 GLU 40 1HB GLU 40 14.270 5.864 2.568 316 HG2 GLU 40 2HG GLU 40 15.353 7.632 3.985 317 HG3 GLU 40 1HG GLU 40 16.573 6.436 4.420 318 H ILE 41 H ILE 41 11.583 5.794 3.655 319 HA ILE 41 HA ILE 41 10.761 2.971 3.813 320 HB ILE 41 HB ILE 41 9.007 5.395 3.309 321 HG12 ILE 41 2HG1 ILE 41 9.496 3.874 5.894 322 HG13 ILE 41 1HG1 ILE 41 10.060 5.504 5.543 323 HG21 ILE 41 1HG2 ILE 41 7.161 3.867 3.878 324 HG22 ILE 41 2HG2 ILE 41 8.313 2.541 4.046 325 HG23 ILE 41 3HG2 ILE 41 8.066 3.301 2.474 326 HD11 ILE 41 3HD1 ILE 41 7.187 4.631 5.786 327 HD12 ILE 41 1HD1 ILE 41 7.736 6.264 5.399 328 HD13 ILE 41 2HD1 ILE 41 8.111 5.556 6.970 329 H LYS 42 H LYS 42 10.164 1.814 2.000 330 HA LYS 42 HA LYS 42 10.857 3.024 -0.579 331 HB2 LYS 42 2HB LYS 42 11.789 0.784 0.180 332 HB3 LYS 42 1HB LYS 42 10.173 0.126 -0.033 333 HG2 LYS 42 2HG LYS 42 11.524 -0.367 -1.971 334 HG3 LYS 42 1HG LYS 42 10.245 0.766 -2.415 335 HD2 LYS 42 2HD LYS 42 11.807 2.622 -2.354 336 HD3 LYS 42 1HD LYS 42 13.087 1.571 -1.742 337 HE2 LYS 42 2HE LYS 42 13.431 1.963 -4.097 338 HE3 LYS 42 1HE LYS 42 12.985 0.278 -3.847 339 HZ1 LYS 42 3HZ LYS 42 10.726 0.824 -4.526 340 HZ2 LYS 42 1HZ LYS 42 11.841 1.206 -5.737 341 HZ3 LYS 42 2HZ LYS 42 11.176 2.434 -4.784 342 H GLU 43 H GLU 43 8.246 0.888 0.640 343 HA GLU 43 HA GLU 43 6.284 2.455 -0.877 344 HB2 GLU 43 2HB GLU 43 6.462 -0.573 -0.952 345 HB3 GLU 43 1HB GLU 43 5.174 0.389 -1.668 346 HG2 GLU 43 2HG GLU 43 6.894 1.487 -3.103 347 HG3 GLU 43 1HG GLU 43 8.073 0.345 -2.471 348 H ARG 44 H ARG 44 4.055 2.107 -0.171 349 HA ARG 44 HA ARG 44 3.880 1.280 2.663 350 HB2 ARG 44 2HB ARG 44 2.057 3.279 1.309 351 HB3 ARG 44 1HB ARG 44 2.240 2.975 3.032 352 HG2 ARG 44 2HG ARG 44 4.532 3.893 2.925 353 HG3 ARG 44 1HG ARG 44 4.281 4.254 1.214 354 HD2 ARG 44 2HD ARG 44 2.256 5.612 1.961 355 HD3 ARG 44 1HD ARG 44 2.886 5.457 3.602 356 HE ARG 44 HE ARG 44 4.241 6.833 1.379 357 HH11 ARG 44 1HH1 ARG 44 3.833 6.299 4.755 358 HH12 ARG 44 2HH1 ARG 44 4.751 7.694 5.193 359 HH21 ARG 44 1HH2 ARG 44 5.429 8.602 1.951 360 HH22 ARG 44 2HH2 ARG 44 5.659 8.983 3.620 361 H THR 45 H THR 45 2.755 -0.554 2.916 362 HA THR 45 HA THR 45 0.856 -1.437 0.874 363 HB THR 45 HB THR 45 1.794 -2.912 3.352 364 HG1 THR 45 HG1 THR 45 2.736 -3.024 0.653 365 HG21 THR 45 3HG2 THR 45 0.393 -3.891 0.854 366 HG22 THR 45 1HG2 THR 45 -0.320 -3.764 2.463 367 HG23 THR 45 2HG2 THR 45 0.983 -4.913 2.164 368 H TYR 46 H TYR 46 -1.307 -1.328 1.104 369 HA TYR 46 HA TYR 46 -2.459 -0.778 3.769 370 HB2 TYR 46 2HB TYR 46 -3.638 -0.032 1.081 371 HB3 TYR 46 1HB TYR 46 -4.258 0.421 2.663 372 HD1 TYR 46 HD1 TYR 46 -1.688 1.067 0.133 373 HD2 TYR 46 HD2 TYR 46 -3.214 2.233 3.934 374 HE1 TYR 46 HE1 TYR 46 -0.397 3.148 0.008 375 HE2 TYR 46 HE2 TYR 46 -1.916 4.320 3.817 376 HH TYR 46 HH TYR 46 -0.299 5.313 0.903 377 H ASP 47 H ASP 47 -4.536 -1.699 4.233 378 HA ASP 47 HA ASP 47 -5.084 -4.223 2.824 379 HB2 ASP 47 2HB ASP 47 -5.937 -3.186 5.540 380 HB3 ASP 47 1HB ASP 47 -6.530 -4.692 4.846 381 H LEU 48 H LEU 48 -6.561 -4.064 1.227 382 HA LEU 48 HA LEU 48 -8.944 -2.349 1.652 383 HB2 LEU 48 2HB LEU 48 -7.888 -3.323 -1.009 384 HB3 LEU 48 1HB LEU 48 -9.164 -2.153 -0.741 385 HG LEU 48 HG LEU 48 -6.214 -1.758 -0.199 386 HD11 LEU 48 1HD1 LEU 48 -8.062 -0.468 -2.211 387 HD12 LEU 48 2HD1 LEU 48 -6.842 -1.691 -2.564 388 HD13 LEU 48 3HD1 LEU 48 -6.349 -0.103 -1.981 389 HD21 LEU 48 3HD2 LEU 48 -6.807 0.559 0.368 390 HD22 LEU 48 1HD2 LEU 48 -7.516 -0.594 1.499 391 HD23 LEU 48 2HD2 LEU 48 -8.518 0.147 0.251 392 H LYS 49 H LYS 49 -11.023 -3.239 1.190 393 HA LYS 49 HA LYS 49 -11.067 -6.164 0.794 394 HB2 LYS 49 2HB LYS 49 -13.106 -4.289 1.978 395 HB3 LYS 49 1HB LYS 49 -13.564 -5.888 1.415 396 HG2 LYS 49 2HG LYS 49 -13.185 -6.351 3.607 397 HG3 LYS 49 1HG LYS 49 -11.573 -6.651 2.964 398 HD2 LYS 49 2HD LYS 49 -11.280 -5.370 4.930 399 HD3 LYS 49 1HD LYS 49 -11.017 -4.262 3.582 400 HE2 LYS 49 2HE LYS 49 -13.681 -4.528 4.976 401 HE3 LYS 49 1HE LYS 49 -12.442 -3.399 5.515 402 HZ1 LYS 49 3HZ LYS 49 -12.510 -2.422 3.244 403 HZ2 LYS 49 1HZ LYS 49 -13.949 -2.248 4.119 404 HZ3 LYS 49 2HZ LYS 49 -13.845 -3.410 2.901 405 H SER 50 H SER 50 -12.129 -7.115 -0.881 406 HA SER 50 HA SER 50 -12.980 -5.393 -3.091 407 HB2 SER 50 2HB SER 50 -12.980 -7.482 -4.427 408 HB3 SER 50 1HB SER 50 -11.432 -7.221 -3.627 409 HG SER 50 HG SER 50 -11.795 -8.879 -2.317 410 H LYS 51 H LYS 51 -15.058 -4.825 -3.196 411 HA LYS 51 HA LYS 51 -17.170 -5.935 -1.743 412 HB2 LYS 51 2HB LYS 51 -17.201 -3.684 -2.725 413 HB3 LYS 51 1HB LYS 51 -17.244 -4.371 -4.338 414 HG2 LYS 51 2HG LYS 51 -19.429 -4.945 -2.357 415 HG3 LYS 51 1HG LYS 51 -19.421 -3.457 -3.303 416 HD2 LYS 51 2HD LYS 51 -19.250 -4.919 -5.369 417 HD3 LYS 51 1HD LYS 51 -19.566 -6.300 -4.319 418 HE2 LYS 51 2HE LYS 51 -21.637 -5.642 -5.307 419 HE3 LYS 51 1HE LYS 51 -21.684 -5.173 -3.608 420 HZ1 LYS 51 3HZ LYS 51 -21.173 -2.913 -4.238 421 HZ2 LYS 51 1HZ LYS 51 -22.538 -3.441 -5.083 422 HZ3 LYS 51 2HZ LYS 51 -21.042 -3.350 -5.865 423 H GLY 52 H GLY 52 -16.040 -6.679 -5.012 424 HA2 GLY 52 2HA GLY 52 -18.258 -8.235 -5.821 425 HA3 GLY 52 1HA GLY 52 -16.662 -8.270 -6.543 426 H GLN 53 H GLN 53 -15.018 -9.378 -4.812 427 HA GLN 53 HA GLN 53 -16.014 -12.102 -4.671 428 HB2 GLN 53 2HB GLN 53 -13.283 -10.868 -4.420 429 HB3 GLN 53 1HB GLN 53 -13.558 -12.547 -3.978 430 HG2 GLN 53 2HG GLN 53 -12.720 -12.424 -6.230 431 HG3 GLN 53 1HG GLN 53 -14.381 -13.005 -6.246 432 HE21 GLN 53 1HE2 GLN 53 -12.236 -10.439 -7.128 433 HE22 GLN 53 2HE2 GLN 53 -13.358 -9.573 -8.118 434 H GLY 54 H GLY 54 -15.033 -9.587 -2.398 435 HA2 GLY 54 2HA GLY 54 -15.988 -9.410 -0.249 436 HA3 GLY 54 1HA GLY 54 -16.400 -11.111 -0.306 437 H ARG 55 H ARG 55 -13.129 -10.120 -1.058 438 HA ARG 55 HA ARG 55 -12.275 -10.655 1.696 439 HB2 ARG 55 2HB ARG 55 -10.453 -12.161 0.918 440 HB3 ARG 55 1HB ARG 55 -12.068 -12.823 0.731 441 HG2 ARG 55 2HG ARG 55 -12.019 -12.335 -1.653 442 HG3 ARG 55 1HG ARG 55 -10.417 -11.610 -1.483 443 HD2 ARG 55 2HD ARG 55 -9.499 -13.742 -0.759 444 HD3 ARG 55 1HD ARG 55 -11.099 -14.479 -0.821 445 HE ARG 55 HE ARG 55 -10.881 -13.752 -3.331 446 HH11 ARG 55 1HH1 ARG 55 -8.450 -15.123 -1.306 447 HH12 ARG 55 2HH1 ARG 55 -7.630 -15.883 -2.627 448 HH21 ARG 55 1HH2 ARG 55 -9.841 -14.755 -5.001 449 HH22 ARG 55 2HH2 ARG 55 -8.420 -15.692 -4.695 450 H MET 56 H MET 56 -9.850 -10.286 1.963 451 HA MET 56 HA MET 56 -9.442 -7.548 1.183 452 HB2 MET 56 2HB MET 56 -7.714 -9.367 2.872 453 HB3 MET 56 1HB MET 56 -7.511 -7.629 2.713 454 HG2 MET 56 2HG MET 56 -8.608 -8.159 4.795 455 HG3 MET 56 1HG MET 56 -9.721 -7.293 3.734 456 HE1 MET 56 3HE MET 56 -10.570 -8.984 6.355 457 HE2 MET 56 1HE MET 56 -12.029 -9.773 5.757 458 HE3 MET 56 2HE MET 56 -11.716 -8.081 5.364 459 H ILE 57 H ILE 57 -7.537 -6.656 0.325 460 HA ILE 57 HA ILE 57 -5.591 -8.401 -1.004 461 HB ILE 57 HB ILE 57 -5.601 -6.979 -3.040 462 HG12 ILE 57 2HG1 ILE 57 -8.103 -5.750 -1.844 463 HG13 ILE 57 1HG1 ILE 57 -6.556 -4.934 -2.033 464 HG21 ILE 57 1HG2 ILE 57 -8.290 -8.224 -2.457 465 HG22 ILE 57 2HG2 ILE 57 -6.856 -9.072 -3.037 466 HG23 ILE 57 3HG2 ILE 57 -7.636 -7.864 -4.056 467 HD11 ILE 57 3HD1 ILE 57 -8.314 -5.939 -4.261 468 HD12 ILE 57 1HD1 ILE 57 -6.757 -5.133 -4.461 469 HD13 ILE 57 2HD1 ILE 57 -8.117 -4.261 -3.755 470 H GLN 58 H GLN 58 -3.485 -7.611 -0.803 471 HA GLN 58 HA GLN 58 -3.230 -5.134 0.749 472 HB2 GLN 58 2HB GLN 58 -1.313 -7.389 0.166 473 HB3 GLN 58 1HB GLN 58 -0.791 -5.896 0.930 474 HG2 GLN 58 2HG GLN 58 -1.193 -7.536 2.632 475 HG3 GLN 58 1HG GLN 58 -2.427 -6.282 2.744 476 HE21 GLN 58 1HE2 GLN 58 -3.951 -7.514 3.740 477 HE22 GLN 58 2HE2 GLN 58 -4.728 -8.863 2.989 478 H VAL 59 H VAL 59 -3.186 -3.350 -0.456 479 HA VAL 59 HA VAL 59 -1.778 -3.350 -3.035 480 HB VAL 59 HB VAL 59 -3.650 -1.297 -1.828 481 HG11 VAL 59 1HG1 VAL 59 -2.038 -0.210 -3.303 482 HG12 VAL 59 2HG1 VAL 59 -3.630 -0.245 -4.060 483 HG13 VAL 59 3HG1 VAL 59 -2.384 -1.381 -4.576 484 HG21 VAL 59 3HG2 VAL 59 -4.779 -3.368 -2.450 485 HG22 VAL 59 1HG2 VAL 59 -4.057 -3.298 -4.059 486 HG23 VAL 59 2HG2 VAL 59 -5.222 -2.071 -3.559 487 H SER 60 H SER 60 0.093 -2.270 -3.373 488 HA SER 60 HA SER 60 1.179 -0.662 -1.136 489 HB2 SER 60 2HB SER 60 2.742 -2.448 -3.026 490 HB3 SER 60 1HB SER 60 3.404 -1.526 -1.675 491 HG SER 60 HG SER 60 1.364 -3.454 -1.321 492 H ILE 61 H ILE 61 1.780 1.368 -1.614 493 HA ILE 61 HA ILE 61 2.368 2.059 -4.434 494 HB ILE 61 HB ILE 61 1.434 4.273 -4.100 495 HG12 ILE 61 2HG1 ILE 61 0.771 3.368 -1.280 496 HG13 ILE 61 1HG1 ILE 61 1.985 4.564 -1.716 497 HG21 ILE 61 1HG2 ILE 61 -0.939 3.716 -3.850 498 HG22 ILE 61 2HG2 ILE 61 -0.503 2.151 -3.163 499 HG23 ILE 61 3HG2 ILE 61 -0.097 2.522 -4.838 500 HD11 ILE 61 3HD1 ILE 61 -0.982 4.827 -2.144 501 HD12 ILE 61 1HD1 ILE 61 0.236 6.025 -2.582 502 HD13 ILE 61 2HD1 ILE 61 -0.031 5.617 -0.887 503 HA PRO 62 HA PRO 62 6.415 3.475 -3.239 504 HB2 PRO 62 2HB PRO 62 5.711 5.987 -4.709 505 HB3 PRO 62 1HB PRO 62 7.148 4.965 -4.848 506 HG2 PRO 62 2HG PRO 62 5.252 4.837 -6.699 507 HG3 PRO 62 1HG PRO 62 6.041 3.355 -6.124 508 HD2 PRO 62 2HD PRO 62 3.326 4.433 -5.469 509 HD3 PRO 62 1HD PRO 62 3.845 2.750 -5.702 510 H ALA 63 H ALA 63 7.309 4.578 -1.558 511 HA ALA 63 HA ALA 63 5.644 5.748 0.379 512 HB1 ALA 63 3HB ALA 63 7.669 6.186 1.627 513 HB2 ALA 63 1HB ALA 63 8.646 5.950 0.177 514 HB3 ALA 63 2HB ALA 63 7.758 4.594 0.873 515 H SER 64 H SER 64 7.465 7.208 -2.218 516 HA SER 64 HA SER 64 7.458 9.889 -1.336 517 HB2 SER 64 2HB SER 64 8.808 9.124 -3.248 518 HB3 SER 64 1HB SER 64 7.336 8.827 -4.173 519 HG SER 64 HG SER 64 8.082 10.826 -4.763 520 H VAL 65 H VAL 65 4.978 7.913 -2.817 521 HA VAL 65 HA VAL 65 3.188 10.034 -3.493 522 HB VAL 65 HB VAL 65 2.580 7.099 -3.034 523 HG11 VAL 65 1HG1 VAL 65 0.987 9.204 -4.510 524 HG12 VAL 65 2HG1 VAL 65 0.566 8.481 -2.959 525 HG13 VAL 65 3HG1 VAL 65 0.590 7.486 -4.414 526 HG21 VAL 65 3HG2 VAL 65 2.757 6.870 -5.474 527 HG22 VAL 65 1HG2 VAL 65 4.280 7.396 -4.758 528 HG23 VAL 65 2HG2 VAL 65 3.252 8.558 -5.598 529 HA PRO 66 HA PRO 66 1.745 11.313 0.535 530 HB2 PRO 66 2HB PRO 66 -0.848 11.405 -0.979 531 HB3 PRO 66 1HB PRO 66 -0.155 12.592 0.135 532 HG2 PRO 66 2HG PRO 66 0.010 12.963 -2.492 533 HG3 PRO 66 1HG PRO 66 1.379 13.365 -1.437 534 HD2 PRO 66 2HD PRO 66 1.044 11.081 -3.315 535 HD3 PRO 66 1HD PRO 66 2.524 11.919 -2.807 536 H LEU 67 H LEU 67 1.148 10.178 2.265 537 HA LEU 67 HA LEU 67 0.252 7.528 2.224 538 HB2 LEU 67 2HB LEU 67 1.447 8.511 4.110 539 HB3 LEU 67 1HB LEU 67 0.108 9.594 4.426 540 HG LEU 67 HG LEU 67 -1.308 7.603 4.975 541 HD11 LEU 67 1HD1 LEU 67 -0.074 5.931 3.700 542 HD12 LEU 67 2HD1 LEU 67 -0.224 5.460 5.392 543 HD13 LEU 67 3HD1 LEU 67 1.304 6.103 4.786 544 HD21 LEU 67 3HD2 LEU 67 -0.290 7.207 7.174 545 HD22 LEU 67 1HD2 LEU 67 -0.258 8.916 6.735 546 HD23 LEU 67 2HD2 LEU 67 1.210 7.947 6.612 547 H LYS 68 H LYS 68 -1.745 6.572 2.314 548 HA LYS 68 HA LYS 68 -4.067 8.165 1.719 549 HB2 LYS 68 2HB LYS 68 -3.532 5.244 2.070 550 HB3 LYS 68 1HB LYS 68 -5.190 5.815 2.170 551 HG2 LYS 68 2HG LYS 68 -4.325 4.940 -0.081 552 HG3 LYS 68 1HG LYS 68 -5.257 6.429 -0.063 553 HD2 LYS 68 2HD LYS 68 -2.305 6.711 0.129 554 HD3 LYS 68 1HD LYS 68 -2.944 6.136 -1.411 555 HE2 LYS 68 2HE LYS 68 -4.496 8.120 -1.405 556 HE3 LYS 68 1HE LYS 68 -3.636 8.711 0.013 557 HZ1 LYS 68 3HZ LYS 68 -1.602 8.763 -1.317 558 HZ2 LYS 68 1HZ LYS 68 -2.808 9.748 -1.981 559 HZ3 LYS 68 2HZ LYS 68 -2.463 8.244 -2.675 560 H GLU 69 H GLU 69 -5.491 9.010 3.068 561 HA GLU 69 HA GLU 69 -5.365 8.300 5.937 562 HB2 GLU 69 2HB GLU 69 -5.859 10.947 4.567 563 HB3 GLU 69 1HB GLU 69 -6.023 10.701 6.304 564 HG2 GLU 69 2HG GLU 69 -3.683 10.253 6.531 565 HG3 GLU 69 1HG GLU 69 -3.470 10.201 4.782 566 H PHE 70 H PHE 70 -7.170 7.285 3.735 567 HA PHE 70 HA PHE 70 -9.715 8.531 3.979 568 HB2 PHE 70 2HB PHE 70 -9.036 5.774 2.931 569 HB3 PHE 70 1HB PHE 70 -10.551 6.631 2.672 570 HD1 PHE 70 HD2 PHE 70 -9.809 9.297 1.941 571 HD2 PHE 70 HD1 PHE 70 -7.892 5.627 0.934 572 HE1 PHE 70 HE2 PHE 70 -8.878 10.341 -0.082 573 HE2 PHE 70 HE1 PHE 70 -6.960 6.669 -1.092 574 HZ PHE 70 HZ PHE 70 -7.453 9.029 -1.602 575 H ASP 71 H ASP 71 -11.700 7.111 4.518 576 HA ASP 71 HA ASP 71 -11.455 6.347 7.308 577 HB2 ASP 71 2HB ASP 71 -13.934 6.426 5.569 578 HB3 ASP 71 1HB ASP 71 -13.876 6.398 7.331 579 H TYR 72 H TYR 72 -12.949 4.416 7.992 580 HA TYR 72 HA TYR 72 -11.969 2.048 6.699 581 HB2 TYR 72 2HB TYR 72 -12.485 2.321 9.206 582 HB3 TYR 72 1HB TYR 72 -14.178 2.119 8.767 583 HD1 TYR 72 HD2 TYR 72 -15.013 -0.061 7.982 584 HD2 TYR 72 HD1 TYR 72 -10.933 0.460 9.086 585 HE1 TYR 72 HE2 TYR 72 -14.720 -2.504 8.039 586 HE2 TYR 72 HE1 TYR 72 -10.630 -1.978 9.142 587 HH TYR 72 HH TYR 72 -12.076 -4.011 9.460 588 H ASN 73 H ASN 73 -13.031 0.670 5.330 589 HA ASN 73 HA ASN 73 -14.394 0.064 3.625 590 HB2 ASN 73 2HB ASN 73 -16.494 1.161 5.507 591 HB3 ASN 73 1HB ASN 73 -16.881 0.325 4.002 592 HD21 ASN 73 1HD2 ASN 73 -17.480 -0.425 6.752 593 HD22 ASN 73 2HD2 ASN 73 -16.772 -1.984 6.980 594 H ALA 74 H ALA 74 -13.301 2.897 3.796 595 HA ALA 74 HA ALA 74 -15.102 4.608 2.427 596 HB1 ALA 74 3HB ALA 74 -13.179 5.450 3.688 597 HB2 ALA 74 1HB ALA 74 -13.156 6.028 2.020 598 HB3 ALA 74 2HB ALA 74 -12.085 4.716 2.517 599 H ARG 75 H ARG 75 -15.391 5.036 0.284 600 HA ARG 75 HA ARG 75 -14.847 2.993 -1.625 601 HB2 ARG 75 2HB ARG 75 -16.118 5.706 -1.692 602 HB3 ARG 75 1HB ARG 75 -15.667 4.960 -3.217 603 HG2 ARG 75 2HG ARG 75 -18.052 4.634 -2.443 604 HG3 ARG 75 1HG ARG 75 -17.177 3.185 -2.927 605 HD2 ARG 75 2HD ARG 75 -16.839 2.536 -0.652 606 HD3 ARG 75 1HD ARG 75 -17.429 4.086 -0.059 607 HE ARG 75 HE ARG 75 -19.465 3.097 -0.007 608 HH11 ARG 75 1HH1 ARG 75 -17.804 1.749 -2.729 609 HH12 ARG 75 2HH1 ARG 75 -19.170 0.822 -3.222 610 HH21 ARG 75 1HH2 ARG 75 -21.182 1.885 -0.667 611 HH22 ARG 75 2HH2 ARG 75 -21.046 0.900 -2.082 612 H VAL 76 H VAL 76 -12.875 2.634 -2.450 613 HA VAL 76 HA VAL 76 -11.280 4.948 -3.348 614 HB VAL 76 HB VAL 76 -9.204 3.820 -2.703 615 HG11 VAL 76 1HG1 VAL 76 -10.202 5.410 -1.148 616 HG12 VAL 76 2HG1 VAL 76 -9.380 4.117 -0.276 617 HG13 VAL 76 3HG1 VAL 76 -11.140 4.114 -0.401 618 HG21 VAL 76 3HG2 VAL 76 -9.249 1.845 -1.226 619 HG22 VAL 76 1HG2 VAL 76 -9.919 1.498 -2.819 620 HG23 VAL 76 2HG2 VAL 76 -10.996 1.734 -1.442 621 H GLU 77 H GLU 77 -10.053 4.689 -5.202 622 HA GLU 77 HA GLU 77 -10.256 2.143 -6.662 623 HB2 GLU 77 2HB GLU 77 -10.602 3.425 -8.776 624 HB3 GLU 77 1HB GLU 77 -11.944 3.554 -7.648 625 HG2 GLU 77 2HG GLU 77 -11.211 5.764 -6.972 626 HG3 GLU 77 1HG GLU 77 -9.795 5.639 -8.014 627 H LEU 78 H LEU 78 -8.556 1.755 -8.178 628 HA LEU 78 HA LEU 78 -6.058 3.093 -7.393 629 HB2 LEU 78 2HB LEU 78 -6.504 0.448 -8.794 630 HB3 LEU 78 1HB LEU 78 -4.943 1.090 -8.312 631 HG LEU 78 HG LEU 78 -7.179 0.281 -6.442 632 HD11 LEU 78 1HD1 LEU 78 -4.499 -1.005 -6.976 633 HD12 LEU 78 2HD1 LEU 78 -6.071 -1.633 -7.472 634 HD13 LEU 78 3HD1 LEU 78 -5.671 -1.516 -5.759 635 HD21 LEU 78 3HD2 LEU 78 -4.409 1.315 -5.830 636 HD22 LEU 78 1HD2 LEU 78 -5.558 0.688 -4.647 637 HD23 LEU 78 2HD2 LEU 78 -5.927 2.163 -5.540 638 H ILE 79 H ILE 79 -4.803 4.197 -8.798 639 HA ILE 79 HA ILE 79 -5.805 4.938 -11.355 640 HB ILE 79 HB ILE 79 -3.120 5.389 -10.040 641 HG12 ILE 79 2HG1 ILE 79 -3.890 7.773 -10.039 642 HG13 ILE 79 1HG1 ILE 79 -5.429 7.247 -10.703 643 HG21 ILE 79 1HG2 ILE 79 -2.682 5.277 -12.414 644 HG22 ILE 79 2HG2 ILE 79 -2.595 6.957 -11.884 645 HG23 ILE 79 3HG2 ILE 79 -4.019 6.376 -12.749 646 HD11 ILE 79 3HD1 ILE 79 -4.308 6.458 -8.025 647 HD12 ILE 79 1HD1 ILE 79 -5.868 5.963 -8.683 648 HD13 ILE 79 2HD1 ILE 79 -5.564 7.661 -8.315 649 H ASN 80 H ASN 80 -2.561 3.505 -10.874 650 HA ASN 80 HA ASN 80 -3.148 1.610 -13.061 651 HB2 ASN 80 2HB ASN 80 -0.605 3.205 -12.638 652 HB3 ASN 80 1HB ASN 80 -0.735 1.852 -13.757 653 HD21 ASN 80 1HD2 ASN 80 -0.180 4.699 -14.271 654 HD22 ASN 80 2HD2 ASN 80 -1.399 5.222 -15.376 655 HA PRO 81 HA PRO 81 -1.631 -0.901 -9.513 656 HB2 PRO 81 2HB PRO 81 -3.577 -2.735 -9.513 657 HB3 PRO 81 1HB PRO 81 -3.827 -1.127 -8.826 658 HG2 PRO 81 2HG PRO 81 -4.695 -2.209 -11.478 659 HG3 PRO 81 1HG PRO 81 -5.584 -1.171 -10.349 660 HD2 PRO 81 2HD PRO 81 -4.223 -0.272 -12.597 661 HD3 PRO 81 1HD PRO 81 -4.649 0.736 -11.200 662 H ILE 82 H ILE 82 -0.595 -2.900 -9.461 663 HA ILE 82 HA ILE 82 -0.850 -4.742 -11.721 664 HB ILE 82 HB ILE 82 1.617 -5.166 -11.731 665 HG12 ILE 82 2HG1 ILE 82 1.844 -2.528 -10.255 666 HG13 ILE 82 1HG1 ILE 82 2.045 -4.098 -9.484 667 HG21 ILE 82 1HG2 ILE 82 0.581 -3.835 -13.487 668 HG22 ILE 82 2HG2 ILE 82 2.207 -3.253 -13.133 669 HG23 ILE 82 3HG2 ILE 82 0.804 -2.372 -12.529 670 HD11 ILE 82 3HD1 ILE 82 4.184 -3.078 -10.009 671 HD12 ILE 82 1HD1 ILE 82 3.747 -3.006 -11.716 672 HD13 ILE 82 2HD1 ILE 82 3.951 -4.569 -10.921 673 H ALA 83 H ALA 83 -1.298 -6.709 -10.925 674 HA ALA 83 HA ALA 83 -0.966 -7.381 -8.164 675 HB1 ALA 83 3HB ALA 83 -2.781 -8.306 -9.544 676 HB2 ALA 83 1HB ALA 83 -1.819 -9.573 -8.785 677 HB3 ALA 83 2HB ALA 83 -1.594 -9.199 -10.495 678 H ASP 84 H ASP 84 0.774 -8.255 -7.155 679 HA ASP 84 HA ASP 84 3.230 -8.604 -8.521 680 HB2 ASP 84 2HB ASP 84 3.158 -7.924 -6.176 681 HB3 ASP 84 1HB ASP 84 2.448 -9.473 -5.725 682 H THR 85 H THR 85 4.463 -10.481 -8.875 683 HA THR 85 HA THR 85 2.991 -12.569 -10.079 684 HB THR 85 HB THR 85 5.944 -12.475 -9.409 685 HG1 THR 85 HG1 THR 85 4.461 -11.122 -11.204 686 HG21 THR 85 3HG2 THR 85 6.207 -14.149 -11.181 687 HG22 THR 85 1HG2 THR 85 4.456 -14.214 -11.388 688 HG23 THR 85 2HG2 THR 85 5.186 -14.764 -9.880 689 H VAL 86 H VAL 86 5.109 -12.651 -7.190 690 HA VAL 86 HA VAL 86 3.554 -14.865 -6.101 691 HB VAL 86 HB VAL 86 5.772 -16.115 -5.594 692 HG11 VAL 86 1HG1 VAL 86 5.637 -17.373 -7.689 693 HG12 VAL 86 2HG1 VAL 86 4.701 -16.069 -8.422 694 HG13 VAL 86 3HG1 VAL 86 4.027 -16.989 -7.077 695 HG21 VAL 86 3HG2 VAL 86 7.538 -15.823 -7.283 696 HG22 VAL 86 1HG2 VAL 86 7.302 -14.354 -6.335 697 HG23 VAL 86 2HG2 VAL 86 6.653 -14.460 -7.971 698 H ALA 87 H ALA 87 2.970 -13.539 -4.391 699 HA ALA 87 HA ALA 87 4.684 -11.858 -2.933 700 HB1 ALA 87 3HB ALA 87 2.250 -11.656 -2.894 701 HB2 ALA 87 1HB ALA 87 2.909 -11.775 -1.262 702 HB3 ALA 87 2HB ALA 87 2.133 -13.175 -2.004 703 H THR 88 H THR 88 4.213 -15.279 -2.740 704 HA THR 88 HA THR 88 5.310 -15.606 -0.083 705 HB THR 88 HB THR 88 3.655 -17.200 -0.962 706 HG1 THR 88 HG1 THR 88 4.594 -18.599 0.299 707 HG21 THR 88 3HG2 THR 88 4.316 -17.172 -3.324 708 HG22 THR 88 1HG2 THR 88 4.268 -18.821 -2.696 709 HG23 THR 88 2HG2 THR 88 5.816 -18.007 -2.918 710 H ALA 89 H ALA 89 6.698 -14.967 -3.072 711 HA ALA 89 HA ALA 89 9.250 -16.259 -2.312 712 HB1 ALA 89 3HB ALA 89 8.279 -15.752 -5.122 713 HB2 ALA 89 1HB ALA 89 8.198 -17.302 -4.286 714 HB3 ALA 89 2HB ALA 89 9.764 -16.577 -4.648 715 H THR 90 H THR 90 7.862 -13.477 -4.093 716 HA THR 90 HA THR 90 10.188 -11.942 -4.361 717 HB THR 90 HB THR 90 8.696 -9.959 -4.466 718 HG1 THR 90 HG1 THR 90 6.307 -10.776 -4.394 719 HG21 THR 90 3HG2 THR 90 7.629 -12.372 -5.950 720 HG22 THR 90 1HG2 THR 90 8.978 -11.355 -6.461 721 HG23 THR 90 2HG2 THR 90 7.349 -10.685 -6.384 722 H TYR 91 H TYR 91 7.678 -11.628 -1.836 723 HA TYR 91 HA TYR 91 9.614 -10.549 0.059 724 HB2 TYR 91 2HB TYR 91 6.716 -11.351 0.483 725 HB3 TYR 91 1HB TYR 91 7.715 -10.443 1.612 726 HD1 TYR 91 HD2 TYR 91 8.290 -8.094 1.160 727 HD2 TYR 91 HD1 TYR 91 5.743 -10.280 -1.467 728 HE1 TYR 91 HE2 TYR 91 7.563 -5.991 0.122 729 HE2 TYR 91 HE1 TYR 91 5.009 -8.178 -2.510 730 HH TYR 91 HH TYR 91 4.880 -5.752 -1.887 731 H GLN 92 H GLN 92 11.084 -12.118 0.598 732 HA GLN 92 HA GLN 92 10.541 -14.872 0.490 733 HB2 GLN 92 2HB GLN 92 12.837 -13.466 1.868 734 HB3 GLN 92 1HB GLN 92 12.771 -15.184 1.487 735 HG2 GLN 92 2HG GLN 92 12.576 -14.587 -0.920 736 HG3 GLN 92 1HG GLN 92 12.805 -12.897 -0.478 737 HE21 GLN 92 1HE2 GLN 92 14.691 -12.717 -1.658 738 HE22 GLN 92 2HE2 GLN 92 16.170 -13.469 -1.179 739 H GLY 93 H GLY 93 8.797 -15.397 1.734 740 HA2 GLY 93 2HA GLY 93 9.350 -16.304 4.366 741 HA3 GLY 93 1HA GLY 93 8.343 -14.861 4.432 742 H ALA 94 H ALA 94 7.873 -17.857 4.975 743 HA ALA 94 HA ALA 94 6.167 -18.867 2.964 744 HB1 ALA 94 3HB ALA 94 5.500 -20.543 4.605 745 HB2 ALA 94 1HB ALA 94 6.260 -19.601 5.887 746 HB3 ALA 94 2HB ALA 94 7.248 -20.306 4.606 747 H ASP 95 H ASP 95 4.707 -17.170 2.438 748 HA ASP 95 HA ASP 95 2.363 -17.127 4.224 749 HB2 ASP 95 2HB ASP 95 3.805 -14.934 4.109 750 HB3 ASP 95 1HB ASP 95 3.033 -14.722 2.540 751 H VAL 96 H VAL 96 0.374 -16.200 2.820 752 HA VAL 96 HA VAL 96 0.475 -17.501 0.179 753 HB VAL 96 HB VAL 96 -0.331 -19.117 1.903 754 HG11 VAL 96 1HG1 VAL 96 -2.689 -17.245 2.115 755 HG12 VAL 96 2HG1 VAL 96 -1.503 -17.586 3.377 756 HG13 VAL 96 3HG1 VAL 96 -2.588 -18.858 2.819 757 HG21 VAL 96 3HG2 VAL 96 -2.359 -18.378 -0.212 758 HG22 VAL 96 1HG2 VAL 96 -2.245 -19.933 0.610 759 HG23 VAL 96 2HG2 VAL 96 -0.939 -19.397 -0.447 760 H ASP 97 H ASP 97 -0.348 -14.726 1.812 761 HA ASP 97 HA ASP 97 -2.752 -14.096 0.329 762 HB2 ASP 97 2HB ASP 97 -1.707 -13.114 2.659 763 HB3 ASP 97 1HB ASP 97 -1.230 -11.853 1.526 764 H TRP 98 H TRP 98 -2.362 -11.505 -0.659 765 HA TRP 98 HA TRP 98 -0.032 -11.656 -2.419 766 HB2 TRP 98 2HB TRP 98 -1.281 -11.504 -4.485 767 HB3 TRP 98 1HB TRP 98 -1.750 -12.946 -3.601 768 HD1 TRP 98 HD1 TRP 98 -4.033 -11.926 -1.764 769 HE1 TRP 98 HE1 TRP 98 -6.240 -11.060 -2.760 770 HE3 TRP 98 HE3 TRP 98 -2.402 -10.776 -6.464 771 HZ2 TRP 98 HZ2 TRP 98 -7.174 -10.037 -5.228 772 HZ3 TRP 98 HZ3 TRP 98 -4.007 -9.863 -8.087 773 HH2 TRP 98 HH2 TRP 98 -6.347 -9.499 -7.482 774 H TYR 99 H TYR 99 0.636 -9.786 -3.368 775 HA TYR 99 HA TYR 99 -0.534 -7.316 -2.270 776 HB2 TYR 99 2HB TYR 99 2.280 -7.945 -3.194 777 HB3 TYR 99 1HB TYR 99 1.742 -6.342 -2.708 778 HD1 TYR 99 HD1 TYR 99 2.023 -9.846 -1.439 779 HD2 TYR 99 HD2 TYR 99 1.911 -5.706 -0.456 780 HE1 TYR 99 HE1 TYR 99 2.583 -10.391 0.892 781 HE2 TYR 99 HE2 TYR 99 2.472 -6.241 1.878 782 HH TYR 99 HH TYR 99 3.528 -9.354 2.855 783 H ILE 100 H ILE 100 -0.792 -5.491 -3.578 784 HA ILE 100 HA ILE 100 -0.460 -5.841 -6.489 785 HB ILE 100 HB ILE 100 -2.818 -4.476 -5.151 786 HG12 ILE 100 2HG1 ILE 100 -2.730 -7.134 -6.618 787 HG13 ILE 100 1HG1 ILE 100 -2.892 -6.942 -4.876 788 HG21 ILE 100 1HG2 ILE 100 -2.242 -3.484 -7.304 789 HG22 ILE 100 2HG2 ILE 100 -3.760 -4.373 -7.422 790 HG23 ILE 100 3HG2 ILE 100 -2.277 -5.076 -8.066 791 HD11 ILE 100 3HD1 ILE 100 -4.869 -6.005 -6.945 792 HD12 ILE 100 1HD1 ILE 100 -5.032 -5.812 -5.199 793 HD13 ILE 100 2HD1 ILE 100 -5.028 -7.424 -5.913 794 H LYS 101 H LYS 101 1.142 -4.422 -6.997 795 HA LYS 101 HA LYS 101 1.571 -1.983 -5.512 796 HB2 LYS 101 2HB LYS 101 2.891 -3.165 -7.958 797 HB3 LYS 101 1HB LYS 101 3.361 -1.610 -7.285 798 HG2 LYS 101 2HG LYS 101 4.103 -2.612 -5.258 799 HG3 LYS 101 1HG LYS 101 3.385 -4.166 -5.691 800 HD2 LYS 101 2HD LYS 101 5.864 -4.073 -5.984 801 HD3 LYS 101 1HD LYS 101 4.985 -4.490 -7.455 802 HE2 LYS 101 2HE LYS 101 6.764 -2.909 -7.950 803 HE3 LYS 101 1HE LYS 101 5.193 -2.163 -8.228 804 HZ1 LYS 101 3HZ LYS 101 6.688 -0.666 -7.086 805 HZ2 LYS 101 1HZ LYS 101 6.891 -1.773 -5.824 806 HZ3 LYS 101 2HZ LYS 101 5.385 -1.058 -6.084 807 H ALA 102 H ALA 102 0.849 0.038 -5.999 808 HA ALA 102 HA ALA 102 -0.406 0.465 -8.639 809 HB1 ALA 102 3HB ALA 102 -2.157 -0.018 -7.002 810 HB2 ALA 102 1HB ALA 102 -2.260 1.643 -7.581 811 HB3 ALA 102 2HB ALA 102 -1.583 1.304 -5.986 812 H ASP 103 H ASP 103 -0.404 2.581 -9.439 813 HA ASP 103 HA ASP 103 1.742 4.266 -8.775 814 HB2 ASP 103 2HB ASP 103 0.628 4.256 -10.983 815 HB3 ASP 103 1HB ASP 103 -0.812 4.965 -10.257 816 H ASP 104 H ASP 104 -1.665 4.381 -7.811 817 HA ASP 104 HA ASP 104 -1.154 5.745 -5.392 818 HB2 ASP 104 2HB ASP 104 -0.846 7.674 -6.917 819 HB3 ASP 104 1HB ASP 104 -2.468 7.422 -7.552 820 H ILE 105 H ILE 105 -3.164 6.271 -4.207 821 HA ILE 105 HA ILE 105 -5.501 4.702 -5.125 822 HB ILE 105 HB ILE 105 -4.641 5.072 -2.245 823 HG12 ILE 105 2HG1 ILE 105 -4.243 2.659 -4.041 824 HG13 ILE 105 1HG1 ILE 105 -2.972 3.716 -3.440 825 HG21 ILE 105 1HG2 ILE 105 -6.272 3.305 -1.778 826 HG22 ILE 105 2HG2 ILE 105 -6.688 3.230 -3.492 827 HG23 ILE 105 3HG2 ILE 105 -7.035 4.689 -2.561 828 HD11 ILE 105 3HD1 ILE 105 -3.042 1.661 -2.175 829 HD12 ILE 105 1HD1 ILE 105 -4.737 1.934 -1.776 830 HD13 ILE 105 2HD1 ILE 105 -3.497 3.020 -1.148 831 H VAL 106 H VAL 106 -7.196 6.018 -5.494 832 HA VAL 106 HA VAL 106 -7.573 8.403 -3.775 833 HB VAL 106 HB VAL 106 -8.647 9.540 -5.693 834 HG11 VAL 106 1HG1 VAL 106 -5.835 8.589 -6.276 835 HG12 VAL 106 2HG1 VAL 106 -6.277 9.937 -5.228 836 HG13 VAL 106 3HG1 VAL 106 -6.606 10.023 -6.959 837 HG21 VAL 106 3HG2 VAL 106 -8.390 8.613 -7.966 838 HG22 VAL 106 1HG2 VAL 106 -9.400 7.588 -6.946 839 HG23 VAL 106 2HG2 VAL 106 -7.729 7.130 -7.279 840 H LEU 107 H LEU 107 -10.039 9.209 -4.182 841 HA LEU 107 HA LEU 107 -11.694 7.071 -3.193 842 HB2 LEU 107 2HB LEU 107 -12.358 9.937 -3.876 843 HB3 LEU 107 1HB LEU 107 -13.480 8.814 -3.130 844 HG LEU 107 HG LEU 107 -10.890 9.804 -1.915 845 HD11 LEU 107 1HD1 LEU 107 -12.342 10.939 -0.303 846 HD12 LEU 107 2HD1 LEU 107 -13.764 10.386 -1.191 847 HD13 LEU 107 3HD1 LEU 107 -12.632 11.506 -1.948 848 HD21 LEU 107 3HD2 LEU 107 -11.613 8.609 0.105 849 HD22 LEU 107 1HD2 LEU 107 -11.340 7.507 -1.244 850 HD23 LEU 107 2HD2 LEU 107 -12.984 7.945 -0.782 851 H THR 108 H THR 108 -13.587 6.208 -4.125 852 HA THR 108 HA THR 108 -13.390 5.754 -6.939 853 HB THR 108 HB THR 108 -15.745 4.968 -5.212 854 HG1 THR 108 HG1 THR 108 -13.481 3.321 -5.655 855 HG21 THR 108 3HG2 THR 108 -14.527 3.755 -7.706 856 HG22 THR 108 1HG2 THR 108 -16.069 4.608 -7.601 857 HG23 THR 108 2HG2 THR 108 -15.859 3.058 -6.784 858 H LEU 109 H LEU 109 -14.722 6.374 -8.620 859 HA LEU 109 HA LEU 109 -16.163 8.875 -8.238 860 HB2 LEU 109 2HB LEU 109 -15.501 7.289 -10.724 861 HB3 LEU 109 1HB LEU 109 -16.284 8.859 -10.729 862 HG LEU 109 HG LEU 109 -13.499 8.311 -9.681 863 HD11 LEU 109 1HD1 LEU 109 -14.402 9.624 -12.247 864 HD12 LEU 109 2HD1 LEU 109 -13.593 8.063 -12.097 865 HD13 LEU 109 3HD1 LEU 109 -12.737 9.542 -11.664 866 HD21 LEU 109 3HD2 LEU 109 -15.001 10.908 -10.054 867 HD22 LEU 109 1HD2 LEU 109 -13.305 10.761 -9.590 868 HD23 LEU 109 2HD2 LEU 109 -14.567 10.162 -8.515 869 H GLU 110 H GLU 110 -17.612 6.849 -6.995 870 HA GLU 110 HA GLU 110 -19.755 6.013 -8.780 871 HB2 GLU 110 2HB GLU 110 -19.359 5.641 -5.805 872 HB3 GLU 110 1HB GLU 110 -20.766 5.052 -6.681 873 HG2 GLU 110 2HG GLU 110 -19.225 3.708 -8.113 874 HG3 GLU 110 1HG GLU 110 -17.899 4.205 -7.064 Start of MODEL 4 1 H1 MET 1 1H MET 1 -10.183 -23.873 -20.539 2 H2 MET 1 2H MET 1 -11.296 -23.368 -19.375 3 H3 MET 1 3H MET 1 -10.890 -25.004 -19.495 4 HA MET 1 HA MET 1 -9.035 -22.822 -18.730 5 HB2 MET 1 2HB MET 1 -10.787 -23.290 -17.044 6 HB3 MET 1 1HB MET 1 -10.323 -24.983 -17.037 7 HG2 MET 1 2HG MET 1 -8.110 -24.354 -16.174 8 HG3 MET 1 1HG MET 1 -8.615 -22.666 -16.148 9 HE1 MET 1 3HE MET 1 -7.963 -22.485 -13.566 10 HE2 MET 1 1HE MET 1 -7.442 -24.170 -13.577 11 HE3 MET 1 2HE MET 1 -8.553 -23.596 -12.331 12 H MET 2 H MET 2 -9.221 -25.680 -20.372 13 HA MET 2 HA MET 2 -7.476 -27.468 -19.166 14 HB2 MET 2 2HB MET 2 -9.000 -27.826 -21.172 15 HB3 MET 2 1HB MET 2 -7.735 -27.110 -22.157 16 HG2 MET 2 2HG MET 2 -7.431 -29.584 -20.465 17 HG3 MET 2 1HG MET 2 -7.721 -29.564 -22.203 18 HE1 MET 2 3HE MET 2 -5.582 -31.150 -22.526 19 HE2 MET 2 1HE MET 2 -5.342 -31.132 -20.778 20 HE3 MET 2 2HE MET 2 -3.996 -30.770 -21.859 21 H ARG 3 H ARG 3 -5.727 -26.377 -18.285 22 HA ARG 3 HA ARG 3 -3.641 -25.577 -18.068 23 HB2 ARG 3 2HB ARG 3 -1.963 -26.694 -19.206 24 HB3 ARG 3 1HB ARG 3 -3.328 -27.791 -19.358 25 HG2 ARG 3 2HG ARG 3 -3.711 -27.061 -21.634 26 HG3 ARG 3 1HG ARG 3 -2.437 -25.848 -21.487 27 HD2 ARG 3 2HD ARG 3 -0.830 -27.728 -21.032 28 HD3 ARG 3 1HD ARG 3 -2.132 -28.849 -21.440 29 HE ARG 3 HE ARG 3 -1.917 -27.088 -23.562 30 HH11 ARG 3 1HH1 ARG 3 0.061 -29.459 -22.029 31 HH12 ARG 3 2HH1 ARG 3 0.998 -29.754 -23.450 32 HH21 ARG 3 1HH2 ARG 3 -0.732 -27.494 -25.380 33 HH22 ARG 3 2HH2 ARG 3 0.542 -28.663 -25.337 34 H LEU 4 H LEU 4 -5.508 -24.213 -20.451 35 HA LEU 4 HA LEU 4 -3.646 -22.700 -21.941 36 HB2 LEU 4 2HB LEU 4 -6.520 -22.033 -21.264 37 HB3 LEU 4 1HB LEU 4 -5.567 -21.265 -22.521 38 HG LEU 4 HG LEU 4 -6.462 -24.153 -22.464 39 HD11 LEU 4 1HD1 LEU 4 -7.261 -21.850 -24.245 40 HD12 LEU 4 2HD1 LEU 4 -8.255 -22.598 -22.996 41 HD13 LEU 4 3HD1 LEU 4 -7.789 -23.523 -24.424 42 HD21 LEU 4 3HD2 LEU 4 -4.842 -22.698 -24.558 43 HD22 LEU 4 1HD2 LEU 4 -5.465 -24.345 -24.682 44 HD23 LEU 4 2HD2 LEU 4 -4.243 -23.954 -23.475 45 H ALA 5 H ALA 5 -5.644 -21.745 -19.153 46 HA ALA 5 HA ALA 5 -3.714 -19.582 -18.583 47 HB1 ALA 5 3HB ALA 5 -5.523 -18.342 -17.565 48 HB2 ALA 5 1HB ALA 5 -6.632 -19.690 -17.813 49 HB3 ALA 5 2HB ALA 5 -5.983 -18.815 -19.199 50 H ASN 6 H ASN 6 -6.189 -21.371 -16.734 51 HA ASN 6 HA ASN 6 -6.144 -22.593 -14.836 52 HB2 ASN 6 2HB ASN 6 -4.396 -23.885 -16.012 53 HB3 ASN 6 1HB ASN 6 -3.164 -22.826 -15.329 54 HD21 ASN 6 1HD2 ASN 6 -2.147 -24.472 -14.213 55 HD22 ASN 6 2HD2 ASN 6 -2.857 -25.247 -12.844 56 H GLY 7 H GLY 7 -2.917 -21.100 -14.408 57 HA2 GLY 7 2HA GLY 7 -3.485 -20.479 -11.666 58 HA3 GLY 7 1HA GLY 7 -2.036 -20.044 -12.553 59 H ILE 8 H ILE 8 -3.019 -18.447 -14.549 60 HA ILE 8 HA ILE 8 -4.451 -16.259 -13.171 61 HB ILE 8 HB ILE 8 -3.014 -14.617 -14.345 62 HG12 ILE 8 2HG1 ILE 8 -1.331 -17.030 -15.094 63 HG13 ILE 8 1HG1 ILE 8 -2.294 -16.074 -16.215 64 HG21 ILE 8 1HG2 ILE 8 -1.039 -14.861 -12.918 65 HG22 ILE 8 2HG2 ILE 8 -1.485 -16.534 -12.580 66 HG23 ILE 8 3HG2 ILE 8 -2.524 -15.217 -12.035 67 HD11 ILE 8 3HD1 ILE 8 -0.888 -14.132 -15.778 68 HD12 ILE 8 1HD1 ILE 8 0.067 -15.503 -16.339 69 HD13 ILE 8 2HD1 ILE 8 0.062 -15.072 -14.628 70 H VAL 9 H VAL 9 -4.726 -14.459 -15.188 71 HA VAL 9 HA VAL 9 -5.484 -15.831 -17.642 72 HB VAL 9 HB VAL 9 -7.542 -15.972 -16.321 73 HG11 VAL 9 1HG1 VAL 9 -8.765 -13.973 -15.622 74 HG12 VAL 9 2HG1 VAL 9 -7.436 -12.958 -16.182 75 HG13 VAL 9 3HG1 VAL 9 -7.190 -14.067 -14.830 76 HG21 VAL 9 3HG2 VAL 9 -9.078 -14.889 -17.908 77 HG22 VAL 9 1HG2 VAL 9 -7.745 -15.697 -18.735 78 HG23 VAL 9 2HG2 VAL 9 -7.736 -13.943 -18.554 79 H LEU 10 H LEU 10 -5.065 -14.612 -19.396 80 HA LEU 10 HA LEU 10 -4.688 -11.702 -19.026 81 HB2 LEU 10 2HB LEU 10 -2.846 -11.818 -20.701 82 HB3 LEU 10 1HB LEU 10 -2.496 -12.617 -19.182 83 HG LEU 10 HG LEU 10 -3.479 -14.210 -21.542 84 HD11 LEU 10 1HD1 LEU 10 -1.587 -12.954 -22.383 85 HD12 LEU 10 2HD1 LEU 10 -1.138 -14.643 -22.147 86 HD13 LEU 10 3HD1 LEU 10 -0.621 -13.422 -20.985 87 HD21 LEU 10 3HD2 LEU 10 -2.224 -16.008 -20.443 88 HD22 LEU 10 1HD2 LEU 10 -3.427 -15.313 -19.358 89 HD23 LEU 10 2HD2 LEU 10 -1.725 -14.889 -19.175 90 H ASP 11 H ASP 11 -6.266 -14.134 -20.744 91 HA ASP 11 HA ASP 11 -6.765 -12.585 -23.135 92 HB2 ASP 11 2HB ASP 11 -6.679 -15.025 -23.264 93 HB3 ASP 11 1HB ASP 11 -8.015 -15.155 -22.126 94 H LYS 12 H LYS 12 -8.144 -12.750 -19.996 95 HA LYS 12 HA LYS 12 -10.550 -11.308 -20.922 96 HB2 LYS 12 2HB LYS 12 -11.164 -13.570 -20.261 97 HB3 LYS 12 1HB LYS 12 -10.358 -13.367 -18.711 98 HG2 LYS 12 2HG LYS 12 -11.980 -11.631 -18.094 99 HG3 LYS 12 1HG LYS 12 -12.788 -11.843 -19.651 100 HD2 LYS 12 2HD LYS 12 -13.328 -14.149 -19.085 101 HD3 LYS 12 1HD LYS 12 -12.449 -13.999 -17.561 102 HE2 LYS 12 2HE LYS 12 -14.846 -13.800 -17.191 103 HE3 LYS 12 1HE LYS 12 -14.036 -12.279 -16.822 104 HZ1 LYS 12 3HZ LYS 12 -15.411 -12.858 -19.389 105 HZ2 LYS 12 1HZ LYS 12 -14.779 -11.368 -18.890 106 HZ3 LYS 12 2HZ LYS 12 -16.118 -12.034 -18.099 107 H ASP 13 H ASP 13 -10.738 -9.323 -20.089 108 HA ASP 13 HA ASP 13 -9.050 -8.342 -18.010 109 HB2 ASP 13 2HB ASP 13 -11.473 -7.106 -19.341 110 HB3 ASP 13 1HB ASP 13 -10.397 -6.253 -18.238 111 H THR 14 H THR 14 -9.360 -9.165 -16.002 112 HA THR 14 HA THR 14 -11.973 -9.601 -14.870 113 HB THR 14 HB THR 14 -10.143 -11.015 -14.119 114 HG1 THR 14 HG1 THR 14 -11.035 -11.068 -12.201 115 HG21 THR 14 3HG2 THR 14 -8.898 -8.505 -12.969 116 HG22 THR 14 1HG2 THR 14 -8.292 -9.412 -14.357 117 HG23 THR 14 2HG2 THR 14 -8.302 -10.153 -12.757 118 H THR 15 H THR 15 -12.997 -8.414 -13.222 119 HA THR 15 HA THR 15 -12.065 -5.615 -12.972 120 HB THR 15 HB THR 15 -14.424 -4.947 -12.682 121 HG1 THR 15 HG1 THR 15 -15.246 -6.970 -11.914 122 HG21 THR 15 3HG2 THR 15 -15.142 -5.274 -15.010 123 HG22 THR 15 1HG2 THR 15 -13.917 -6.529 -15.212 124 HG23 THR 15 2HG2 THR 15 -13.430 -4.859 -14.918 125 H PHE 16 H PHE 16 -11.892 -4.706 -11.003 126 HA PHE 16 HA PHE 16 -12.228 -6.396 -8.655 127 HB2 PHE 16 2HB PHE 16 -11.067 -3.620 -8.999 128 HB3 PHE 16 1HB PHE 16 -11.145 -4.470 -7.459 129 HD1 PHE 16 HD2 PHE 16 -9.620 -4.496 -10.824 130 HD2 PHE 16 HD1 PHE 16 -9.591 -6.183 -6.912 131 HE1 PHE 16 HE2 PHE 16 -7.474 -5.594 -11.315 132 HE2 PHE 16 HE1 PHE 16 -7.449 -7.284 -7.401 133 HZ PHE 16 HZ PHE 16 -6.387 -6.993 -9.602 134 H GLY 17 H GLY 17 -13.415 -5.766 -6.774 135 HA2 GLY 17 2HA GLY 17 -15.837 -4.251 -7.356 136 HA3 GLY 17 1HA GLY 17 -15.494 -5.157 -5.890 137 H GLU 18 H GLU 18 -16.650 -2.735 -5.623 138 HA GLU 18 HA GLU 18 -15.043 -0.484 -5.411 139 HB2 GLU 18 2HB GLU 18 -16.700 0.372 -3.793 140 HB3 GLU 18 1HB GLU 18 -17.456 -0.340 -5.209 141 HG2 GLU 18 2HG GLU 18 -17.154 -1.749 -2.560 142 HG3 GLU 18 1HG GLU 18 -18.587 -0.852 -3.052 143 H LEU 19 H LEU 19 -13.176 -0.289 -4.369 144 HA LEU 19 HA LEU 19 -12.385 -2.110 -2.304 145 HB2 LEU 19 2HB LEU 19 -10.950 0.343 -3.331 146 HB3 LEU 19 1HB LEU 19 -10.244 -0.939 -2.362 147 HG LEU 19 HG LEU 19 -11.259 -1.190 -5.200 148 HD11 LEU 19 1HD1 LEU 19 -8.474 -1.369 -4.052 149 HD12 LEU 19 2HD1 LEU 19 -9.118 -0.044 -5.021 150 HD13 LEU 19 3HD1 LEU 19 -8.917 -1.641 -5.738 151 HD21 LEU 19 3HD2 LEU 19 -10.411 -3.495 -5.102 152 HD22 LEU 19 1HD2 LEU 19 -11.740 -3.233 -3.974 153 HD23 LEU 19 2HD2 LEU 19 -10.079 -3.295 -3.380 154 H LYS 20 H LYS 20 -11.849 -1.701 -0.171 155 HA LYS 20 HA LYS 20 -12.796 0.857 0.971 156 HB2 LYS 20 2HB LYS 20 -13.022 -1.918 2.168 157 HB3 LYS 20 1HB LYS 20 -13.462 -0.429 2.992 158 HG2 LYS 20 2HG LYS 20 -14.759 -1.545 0.508 159 HG3 LYS 20 1HG LYS 20 -15.437 -1.544 2.140 160 HD2 LYS 20 2HD LYS 20 -15.332 0.957 2.101 161 HD3 LYS 20 1HD LYS 20 -14.835 0.860 0.411 162 HE2 LYS 20 2HE LYS 20 -17.430 -0.151 1.573 163 HE3 LYS 20 1HE LYS 20 -17.222 1.299 0.595 164 HZ1 LYS 20 3HZ LYS 20 -16.362 -0.227 -1.187 165 HZ2 LYS 20 1HZ LYS 20 -18.010 -0.365 -0.834 166 HZ3 LYS 20 2HZ LYS 20 -16.925 -1.522 -0.253 167 H PHE 21 H PHE 21 -11.216 1.987 1.919 168 HA PHE 21 HA PHE 21 -8.635 0.960 2.505 169 HB2 PHE 21 2HB PHE 21 -9.012 3.336 2.003 170 HB3 PHE 21 1HB PHE 21 -9.967 3.511 3.471 171 HD1 PHE 21 HD1 PHE 21 -6.562 2.829 2.185 172 HD2 PHE 21 HD2 PHE 21 -8.926 3.904 5.564 173 HE1 PHE 21 HE1 PHE 21 -4.520 3.381 3.439 174 HE2 PHE 21 HE2 PHE 21 -6.885 4.456 6.818 175 HZ PHE 21 HZ PHE 21 -4.679 4.192 5.758 176 H SER 22 H SER 22 -8.451 -0.640 4.002 177 HA SER 22 HA SER 22 -10.135 -0.619 6.385 178 HB2 SER 22 2HB SER 22 -9.800 -2.703 5.046 179 HB3 SER 22 1HB SER 22 -8.102 -2.693 5.513 180 HG SER 22 HG SER 22 -9.115 -2.600 7.774 181 H ALA 23 H ALA 23 -6.621 -1.203 5.884 182 HA ALA 23 HA ALA 23 -5.918 0.680 7.949 183 HB1 ALA 23 3HB ALA 23 -4.894 -0.887 9.494 184 HB2 ALA 23 1HB ALA 23 -5.396 -2.246 8.486 185 HB3 ALA 23 2HB ALA 23 -6.611 -1.260 9.304 186 H LEU 24 H LEU 24 -3.427 0.296 8.526 187 HA LEU 24 HA LEU 24 -1.978 0.137 6.001 188 HB2 LEU 24 2HB LEU 24 -1.491 1.980 7.520 189 HB3 LEU 24 1HB LEU 24 -1.082 0.855 8.802 190 HG LEU 24 HG LEU 24 0.856 0.072 7.448 191 HD11 LEU 24 1HD1 LEU 24 1.589 1.372 5.517 192 HD12 LEU 24 2HD1 LEU 24 0.123 2.349 5.608 193 HD13 LEU 24 3HD1 LEU 24 0.017 0.630 5.224 194 HD21 LEU 24 3HD2 LEU 24 2.252 2.032 7.835 195 HD22 LEU 24 1HD2 LEU 24 1.129 1.790 9.175 196 HD23 LEU 24 2HD2 LEU 24 0.812 3.045 7.976 197 H ARG 25 H ARG 25 -1.129 -1.721 5.313 198 HA ARG 25 HA ARG 25 -0.999 -4.069 6.956 199 HB2 ARG 25 2HB ARG 25 -1.603 -4.274 4.635 200 HB3 ARG 25 1HB ARG 25 -0.130 -3.469 4.126 201 HG2 ARG 25 2HG ARG 25 0.189 -5.742 3.649 202 HG3 ARG 25 1HG ARG 25 1.138 -5.428 5.099 203 HD2 ARG 25 2HD ARG 25 -0.308 -6.628 6.463 204 HD3 ARG 25 1HD ARG 25 -1.664 -6.467 5.341 205 HE ARG 25 HE ARG 25 0.644 -8.045 4.486 206 HH11 ARG 25 1HH1 ARG 25 -2.549 -8.054 5.753 207 HH12 ARG 25 2HH1 ARG 25 -2.928 -9.595 5.079 208 HH21 ARG 25 1HH2 ARG 25 0.148 -10.013 3.602 209 HH22 ARG 25 2HH2 ARG 25 -1.429 -10.687 3.838 210 H ARG 26 H ARG 26 1.566 -2.431 5.069 211 HA ARG 26 HA ARG 26 3.489 -2.588 7.183 212 HB2 ARG 26 2HB ARG 26 3.610 -4.929 6.616 213 HB3 ARG 26 1HB ARG 26 3.690 -4.569 4.896 214 HG2 ARG 26 2HG ARG 26 5.896 -3.473 5.287 215 HG3 ARG 26 1HG ARG 26 5.815 -4.012 6.963 216 HD2 ARG 26 2HD ARG 26 5.684 -5.874 4.591 217 HD3 ARG 26 1HD ARG 26 7.178 -5.469 5.433 218 HE ARG 26 HE ARG 26 6.123 -6.463 7.447 219 HH11 ARG 26 1HH1 ARG 26 4.988 -7.370 4.326 220 HH12 ARG 26 2HH1 ARG 26 4.448 -8.923 4.851 221 HH21 ARG 26 1HH2 ARG 26 5.465 -8.487 8.101 222 HH22 ARG 26 2HH2 ARG 26 4.723 -9.547 6.956 223 H GLU 27 H GLU 27 5.078 -1.098 6.854 224 HA GLU 27 HA GLU 27 5.322 0.115 4.188 225 HB2 GLU 27 2HB GLU 27 6.494 1.002 6.841 226 HB3 GLU 27 1HB GLU 27 6.588 1.894 5.324 227 HG2 GLU 27 2HG GLU 27 4.120 2.061 5.312 228 HG3 GLU 27 1HG GLU 27 4.082 1.247 6.877 229 H VAL 28 H VAL 28 6.654 -1.106 2.944 230 HA VAL 28 HA VAL 28 8.868 -2.565 4.020 231 HB VAL 28 HB VAL 28 9.435 -3.070 1.627 232 HG11 VAL 28 1HG1 VAL 28 6.577 -3.561 2.486 233 HG12 VAL 28 2HG1 VAL 28 7.982 -4.539 2.908 234 HG13 VAL 28 3HG1 VAL 28 7.437 -4.457 1.233 235 HG21 VAL 28 3HG2 VAL 28 8.602 -1.017 0.586 236 HG22 VAL 28 1HG2 VAL 28 6.952 -1.441 1.043 237 HG23 VAL 28 2HG2 VAL 28 7.829 -2.434 -0.122 238 H ARG 29 H ARG 29 10.444 -1.366 4.901 239 HA ARG 29 HA ARG 29 11.392 1.051 3.587 240 HB2 ARG 29 2HB ARG 29 12.290 -0.168 6.207 241 HB3 ARG 29 1HB ARG 29 12.643 1.458 5.627 242 HG2 ARG 29 2HG ARG 29 10.221 1.963 5.680 243 HG3 ARG 29 1HG ARG 29 9.932 0.360 6.357 244 HD2 ARG 29 2HD ARG 29 11.429 0.983 8.264 245 HD3 ARG 29 1HD ARG 29 11.490 2.622 7.610 246 HE ARG 29 HE ARG 29 9.170 1.304 8.818 247 HH11 ARG 29 1HH1 ARG 29 10.550 4.136 7.395 248 HH12 ARG 29 2HH1 ARG 29 9.227 5.142 7.870 249 HH21 ARG 29 1HH2 ARG 29 7.476 2.632 9.410 250 HH22 ARG 29 2HH2 ARG 29 7.517 4.306 8.974 251 H ILE 30 H ILE 30 13.655 1.456 3.213 252 HA ILE 30 HA ILE 30 14.876 -0.647 1.738 253 HB ILE 30 HB ILE 30 16.070 2.009 2.572 254 HG12 ILE 30 2HG1 ILE 30 14.550 1.274 0.050 255 HG13 ILE 30 1HG1 ILE 30 13.920 2.261 1.363 256 HG21 ILE 30 1HG2 ILE 30 17.518 1.708 0.598 257 HG22 ILE 30 2HG2 ILE 30 16.828 0.107 0.351 258 HG23 ILE 30 3HG2 ILE 30 17.765 0.448 1.805 259 HD11 ILE 30 3HD1 ILE 30 15.665 3.931 0.906 260 HD12 ILE 30 1HD1 ILE 30 14.601 3.652 -0.472 261 HD13 ILE 30 2HD1 ILE 30 16.218 2.951 -0.453 262 H GLN 31 H GLN 31 15.724 -2.358 2.793 263 HA GLN 31 HA GLN 31 17.121 -2.041 5.319 264 HB2 GLN 31 2HB GLN 31 15.633 -3.970 4.972 265 HB3 GLN 31 1HB GLN 31 16.634 -4.509 3.631 266 HG2 GLN 31 2HG GLN 31 18.506 -4.870 5.160 267 HG3 GLN 31 1HG GLN 31 17.521 -4.304 6.507 268 HE21 GLN 31 1HE2 GLN 31 17.715 -6.263 7.598 269 HE22 GLN 31 2HE2 GLN 31 16.906 -7.697 7.081 270 H ASN 32 H ASN 32 19.240 -1.716 5.509 271 HA ASN 32 HA ASN 32 20.991 -1.489 3.294 272 HB2 ASN 32 2HB ASN 32 21.709 -1.727 6.230 273 HB3 ASN 32 1HB ASN 32 22.746 -1.098 4.953 274 HD21 ASN 32 1HD2 ASN 32 20.146 -0.437 7.100 275 HD22 ASN 32 2HD2 ASN 32 19.979 1.239 6.710 276 H GLU 33 H GLU 33 22.953 -2.689 2.886 277 HA GLU 33 HA GLU 33 22.639 -5.491 2.791 278 HB2 GLU 33 2HB GLU 33 25.186 -3.869 2.525 279 HB3 GLU 33 1HB GLU 33 24.964 -5.532 1.990 280 HG2 GLU 33 2HG GLU 33 23.301 -4.810 0.366 281 HG3 GLU 33 1HG GLU 33 23.454 -3.147 0.928 282 H ASP 34 H ASP 34 24.045 -3.385 5.176 283 HA ASP 34 HA ASP 34 25.521 -5.255 6.692 284 HB2 ASP 34 2HB ASP 34 24.027 -2.817 7.704 285 HB3 ASP 34 1HB ASP 34 25.364 -3.634 8.508 286 H GLY 35 H GLY 35 22.155 -4.989 6.214 287 HA2 GLY 35 2HA GLY 35 20.678 -6.729 6.974 288 HA3 GLY 35 1HA GLY 35 21.631 -6.857 8.443 289 H SER 36 H SER 36 21.608 -3.752 8.389 290 HA SER 36 HA SER 36 19.380 -3.484 10.195 291 HB2 SER 36 2HB SER 36 20.164 -1.174 10.482 292 HB3 SER 36 1HB SER 36 21.506 -2.314 10.613 293 HG SER 36 HG SER 36 21.991 -0.491 9.285 294 H VAL 37 H VAL 37 17.718 -1.838 10.016 295 HA VAL 37 HA VAL 37 16.785 -1.521 7.242 296 HB VAL 37 HB VAL 37 15.208 -1.207 9.807 297 HG11 VAL 37 1HG1 VAL 37 13.240 -1.377 8.339 298 HG12 VAL 37 2HG1 VAL 37 14.300 -1.415 6.929 299 HG13 VAL 37 3HG1 VAL 37 14.234 0.027 7.946 300 HG21 VAL 37 3HG2 VAL 37 15.997 -3.498 9.584 301 HG22 VAL 37 1HG2 VAL 37 15.380 -3.575 7.933 302 HG23 VAL 37 2HG2 VAL 37 14.260 -3.420 9.287 303 H SER 38 H SER 38 16.506 0.459 6.331 304 HA SER 38 HA SER 38 17.367 2.807 7.847 305 HB2 SER 38 2HB SER 38 18.333 2.552 5.641 306 HB3 SER 38 1HB SER 38 16.737 2.420 4.907 307 HG SER 38 HG SER 38 17.382 4.508 4.608 308 H ASP 39 H ASP 39 16.148 4.766 7.945 309 HA ASP 39 HA ASP 39 13.391 4.572 8.440 310 HB2 ASP 39 2HB ASP 39 15.009 7.030 7.694 311 HB3 ASP 39 1HB ASP 39 13.407 7.045 8.427 312 H GLU 40 H GLU 40 15.186 5.191 5.529 313 HA GLU 40 HA GLU 40 13.237 6.333 3.879 314 HB2 GLU 40 2HB GLU 40 15.497 4.472 3.105 315 HB3 GLU 40 1HB GLU 40 14.628 5.541 2.011 316 HG2 GLU 40 2HG GLU 40 15.521 7.482 3.076 317 HG3 GLU 40 1HG GLU 40 16.204 6.517 4.384 318 H ILE 41 H ILE 41 11.664 5.506 2.532 319 HA ILE 41 HA ILE 41 10.987 2.654 2.943 320 HB ILE 41 HB ILE 41 9.053 4.928 2.428 321 HG12 ILE 41 2HG1 ILE 41 9.639 3.444 5.012 322 HG13 ILE 41 1HG1 ILE 41 10.107 5.103 4.659 323 HG21 ILE 41 1HG2 ILE 41 7.314 3.294 2.981 324 HG22 ILE 41 2HG2 ILE 41 8.541 2.043 3.187 325 HG23 ILE 41 3HG2 ILE 41 8.268 2.758 1.598 326 HD11 ILE 41 3HD1 ILE 41 7.286 4.075 4.867 327 HD12 ILE 41 1HD1 ILE 41 7.759 5.741 4.525 328 HD13 ILE 41 2HD1 ILE 41 8.147 5.014 6.084 329 H LYS 42 H LYS 42 10.603 1.388 1.187 330 HA LYS 42 HA LYS 42 10.983 2.355 -1.485 331 HB2 LYS 42 2HB LYS 42 9.967 -0.278 -0.386 332 HB3 LYS 42 1HB LYS 42 10.154 0.026 -2.107 333 HG2 LYS 42 2HG LYS 42 12.410 0.213 -0.113 334 HG3 LYS 42 1HG LYS 42 12.030 -1.238 -1.045 335 HD2 LYS 42 2HD LYS 42 12.337 0.095 -3.132 336 HD3 LYS 42 1HD LYS 42 12.847 1.462 -2.139 337 HE2 LYS 42 2HE LYS 42 14.764 0.232 -3.044 338 HE3 LYS 42 1HE LYS 42 14.725 0.164 -1.284 339 HZ1 LYS 42 3HZ LYS 42 13.692 -1.995 -3.044 340 HZ2 LYS 42 1HZ LYS 42 13.902 -2.058 -1.368 341 HZ3 LYS 42 2HZ LYS 42 15.249 -1.980 -2.389 342 H GLU 43 H GLU 43 8.154 0.969 0.179 343 HA GLU 43 HA GLU 43 6.364 2.926 -0.874 344 HB2 GLU 43 2HB GLU 43 4.948 1.318 -2.160 345 HB3 GLU 43 1HB GLU 43 6.512 1.654 -2.885 346 HG2 GLU 43 2HG GLU 43 7.314 -0.495 -1.790 347 HG3 GLU 43 1HG GLU 43 5.612 -0.838 -1.473 348 H ARG 44 H ARG 44 4.017 2.340 -0.311 349 HA ARG 44 HA ARG 44 4.085 1.177 2.409 350 HB2 ARG 44 2HB ARG 44 2.135 3.306 1.545 351 HB3 ARG 44 1HB ARG 44 2.674 2.900 3.170 352 HG2 ARG 44 2HG ARG 44 4.901 3.810 2.650 353 HG3 ARG 44 1HG ARG 44 4.339 4.235 1.033 354 HD2 ARG 44 2HD ARG 44 4.160 6.235 2.208 355 HD3 ARG 44 1HD ARG 44 2.518 5.594 2.260 356 HE ARG 44 HE ARG 44 3.869 4.699 4.535 357 HH11 ARG 44 1HH1 ARG 44 2.749 7.671 3.208 358 HH12 ARG 44 2HH1 ARG 44 2.592 8.427 4.752 359 HH21 ARG 44 1HH2 ARG 44 3.666 5.675 6.502 360 HH22 ARG 44 2HH2 ARG 44 3.081 7.304 6.600 361 H THR 45 H THR 45 2.898 -0.621 2.653 362 HA THR 45 HA THR 45 0.860 -1.325 0.667 363 HB THR 45 HB THR 45 1.905 -3.027 2.949 364 HG1 THR 45 HG1 THR 45 2.859 -2.636 0.303 365 HG21 THR 45 3HG2 THR 45 0.467 -3.738 0.380 366 HG22 THR 45 1HG2 THR 45 -0.202 -3.824 2.010 367 HG23 THR 45 2HG2 THR 45 1.114 -4.899 1.542 368 H TYR 46 H TYR 46 -1.295 -1.338 1.058 369 HA TYR 46 HA TYR 46 -2.222 -0.916 3.837 370 HB2 TYR 46 2HB TYR 46 -3.549 0.123 1.321 371 HB3 TYR 46 1HB TYR 46 -4.061 0.425 2.975 372 HD1 TYR 46 HD1 TYR 46 -2.666 1.894 4.450 373 HD2 TYR 46 HD2 TYR 46 -1.845 1.426 0.298 374 HE1 TYR 46 HE1 TYR 46 -1.300 3.941 4.489 375 HE2 TYR 46 HE2 TYR 46 -0.484 3.464 0.334 376 HH TYR 46 HH TYR 46 -0.206 5.469 1.619 377 H ASP 47 H ASP 47 -3.955 -2.076 4.565 378 HA ASP 47 HA ASP 47 -4.849 -4.405 3.151 379 HB2 ASP 47 2HB ASP 47 -5.902 -3.093 5.678 380 HB3 ASP 47 1HB ASP 47 -6.372 -4.685 5.096 381 H LEU 48 H LEU 48 -6.177 -4.119 1.375 382 HA LEU 48 HA LEU 48 -8.459 -2.262 1.707 383 HB2 LEU 48 2HB LEU 48 -7.212 -3.285 -0.847 384 HB3 LEU 48 1HB LEU 48 -8.632 -2.260 -0.762 385 HG LEU 48 HG LEU 48 -5.793 -1.530 -0.031 386 HD11 LEU 48 1HD1 LEU 48 -7.725 -0.363 -2.037 387 HD12 LEU 48 2HD1 LEU 48 -6.368 -1.424 -2.410 388 HD13 LEU 48 3HD1 LEU 48 -6.071 0.178 -1.742 389 HD21 LEU 48 3HD2 LEU 48 -6.654 0.683 0.610 390 HD22 LEU 48 1HD2 LEU 48 -7.250 -0.588 1.678 391 HD23 LEU 48 2HD2 LEU 48 -8.304 0.087 0.433 392 H LYS 49 H LYS 49 -10.468 -3.004 1.724 393 HA LYS 49 HA LYS 49 -10.962 -5.862 1.260 394 HB2 LYS 49 2HB LYS 49 -12.812 -3.739 2.385 395 HB3 LYS 49 1HB LYS 49 -13.121 -5.466 2.355 396 HG2 LYS 49 2HG LYS 49 -10.941 -4.097 3.934 397 HG3 LYS 49 1HG LYS 49 -12.470 -4.697 4.576 398 HD2 LYS 49 2HD LYS 49 -11.743 -6.983 3.643 399 HD3 LYS 49 1HD LYS 49 -10.137 -6.267 3.505 400 HE2 LYS 49 2HE LYS 49 -11.767 -6.501 6.040 401 HE3 LYS 49 1HE LYS 49 -10.390 -7.510 5.601 402 HZ1 LYS 49 3HZ LYS 49 -10.336 -4.591 6.161 403 HZ2 LYS 49 1HZ LYS 49 -9.006 -5.494 5.634 404 HZ3 LYS 49 2HZ LYS 49 -9.706 -5.818 7.133 405 H SER 50 H SER 50 -12.209 -6.612 -0.459 406 HA SER 50 HA SER 50 -13.559 -4.581 -2.142 407 HB2 SER 50 2HB SER 50 -11.477 -5.396 -3.231 408 HB3 SER 50 1HB SER 50 -12.106 -7.042 -3.166 409 HG SER 50 HG SER 50 -12.899 -4.876 -4.763 410 H LYS 51 H LYS 51 -15.675 -4.894 -1.743 411 HA LYS 51 HA LYS 51 -16.845 -7.366 -1.005 412 HB2 LYS 51 2HB LYS 51 -17.930 -5.334 -0.345 413 HB3 LYS 51 1HB LYS 51 -18.050 -4.783 -2.011 414 HG2 LYS 51 2HG LYS 51 -19.650 -6.563 -2.501 415 HG3 LYS 51 1HG LYS 51 -19.515 -7.150 -0.842 416 HD2 LYS 51 2HD LYS 51 -21.534 -5.792 -1.168 417 HD3 LYS 51 1HD LYS 51 -20.438 -5.052 -0.002 418 HE2 LYS 51 2HE LYS 51 -21.391 -3.391 -1.533 419 HE3 LYS 51 1HE LYS 51 -19.641 -3.501 -1.710 420 HZ1 LYS 51 3HZ LYS 51 -21.641 -4.772 -3.499 421 HZ2 LYS 51 1HZ LYS 51 -19.963 -4.865 -3.673 422 HZ3 LYS 51 2HZ LYS 51 -20.748 -3.381 -3.852 423 H GLY 52 H GLY 52 -16.653 -5.688 -4.128 424 HA2 GLY 52 2HA GLY 52 -18.310 -7.337 -5.646 425 HA3 GLY 52 1HA GLY 52 -16.934 -6.451 -6.276 426 H GLN 53 H GLN 53 -15.117 -8.081 -4.425 427 HA GLN 53 HA GLN 53 -15.098 -10.537 -6.073 428 HB2 GLN 53 2HB GLN 53 -12.774 -9.123 -4.747 429 HB3 GLN 53 1HB GLN 53 -12.660 -10.626 -5.655 430 HG2 GLN 53 2HG GLN 53 -13.494 -9.427 -7.662 431 HG3 GLN 53 1HG GLN 53 -13.477 -7.929 -6.735 432 HE21 GLN 53 1HE2 GLN 53 -12.009 -8.612 -9.148 433 HE22 GLN 53 2HE2 GLN 53 -10.337 -8.432 -8.756 434 H GLY 54 H GLY 54 -15.154 -9.326 -2.814 435 HA2 GLY 54 2HA GLY 54 -15.956 -10.528 -0.975 436 HA3 GLY 54 1HA GLY 54 -15.718 -12.020 -1.861 437 H ARG 55 H ARG 55 -12.845 -10.472 -2.197 438 HA ARG 55 HA ARG 55 -11.758 -11.735 0.242 439 HB2 ARG 55 2HB ARG 55 -10.592 -11.655 -2.542 440 HB3 ARG 55 1HB ARG 55 -9.660 -12.121 -1.125 441 HG2 ARG 55 2HG ARG 55 -11.345 -13.939 -0.723 442 HG3 ARG 55 1HG ARG 55 -12.064 -13.527 -2.282 443 HD2 ARG 55 2HD ARG 55 -10.503 -15.425 -2.447 444 HD3 ARG 55 1HD ARG 55 -9.978 -14.047 -3.416 445 HE ARG 55 HE ARG 55 -8.742 -13.837 -0.929 446 HH11 ARG 55 1HH1 ARG 55 -8.696 -16.003 -3.614 447 HH12 ARG 55 2HH1 ARG 55 -7.052 -16.467 -3.344 448 HH21 ARG 55 1HH2 ARG 55 -6.639 -14.435 -0.605 449 HH22 ARG 55 2HH2 ARG 55 -5.903 -15.590 -1.664 450 H MET 56 H MET 56 -9.488 -10.986 0.748 451 HA MET 56 HA MET 56 -9.381 -8.062 0.786 452 HB2 MET 56 2HB MET 56 -7.591 -10.097 2.146 453 HB3 MET 56 1HB MET 56 -7.587 -8.362 2.430 454 HG2 MET 56 2HG MET 56 -9.800 -8.473 3.388 455 HG3 MET 56 1HG MET 56 -9.910 -10.191 3.009 456 HE1 MET 56 3HE MET 56 -6.861 -8.490 6.045 457 HE2 MET 56 1HE MET 56 -7.945 -7.475 5.095 458 HE3 MET 56 2HE MET 56 -6.648 -8.370 4.300 459 H ILE 57 H ILE 57 -7.872 -6.866 -0.314 460 HA ILE 57 HA ILE 57 -5.696 -8.324 -1.691 461 HB ILE 57 HB ILE 57 -5.726 -6.624 -3.470 462 HG12 ILE 57 2HG1 ILE 57 -8.266 -5.614 -2.151 463 HG13 ILE 57 1HG1 ILE 57 -6.719 -4.773 -2.140 464 HG21 ILE 57 1HG2 ILE 57 -7.761 -7.374 -4.604 465 HG22 ILE 57 2HG2 ILE 57 -8.402 -7.971 -3.071 466 HG23 ILE 57 3HG2 ILE 57 -6.962 -8.709 -3.772 467 HD11 ILE 57 3HD1 ILE 57 -6.817 -4.573 -4.575 468 HD12 ILE 57 1HD1 ILE 57 -8.218 -3.838 -3.795 469 HD13 ILE 57 2HD1 ILE 57 -8.370 -5.411 -4.577 470 H GLN 58 H GLN 58 -3.643 -7.531 -1.504 471 HA GLN 58 HA GLN 58 -3.261 -5.306 0.375 472 HB2 GLN 58 2HB GLN 58 -1.334 -7.402 -0.655 473 HB3 GLN 58 1HB GLN 58 -0.898 -6.118 0.467 474 HG2 GLN 58 2HG GLN 58 -2.886 -8.328 0.949 475 HG3 GLN 58 1HG GLN 58 -1.277 -8.180 1.657 476 HE21 GLN 58 1HE2 GLN 58 -3.823 -8.365 3.005 477 HE22 GLN 58 2HE2 GLN 58 -3.974 -6.930 3.962 478 H VAL 59 H VAL 59 -3.147 -3.356 -0.598 479 HA VAL 59 HA VAL 59 -1.793 -3.180 -3.213 480 HB VAL 59 HB VAL 59 -3.784 -1.288 -1.952 481 HG11 VAL 59 1HG1 VAL 59 -3.725 -0.079 -4.087 482 HG12 VAL 59 2HG1 VAL 59 -2.437 -1.140 -4.657 483 HG13 VAL 59 3HG1 VAL 59 -2.151 -0.054 -3.297 484 HG21 VAL 59 3HG2 VAL 59 -4.008 -3.146 -4.324 485 HG22 VAL 59 1HG2 VAL 59 -5.255 -2.027 -3.775 486 HG23 VAL 59 2HG2 VAL 59 -4.768 -3.378 -2.750 487 H SER 60 H SER 60 0.047 -2.106 -3.452 488 HA SER 60 HA SER 60 1.050 -0.483 -1.192 489 HB2 SER 60 2HB SER 60 2.653 -2.005 -3.265 490 HB3 SER 60 1HB SER 60 3.316 -1.096 -1.912 491 HG SER 60 HG SER 60 3.037 -3.480 -1.689 492 H ILE 61 H ILE 61 1.554 1.628 -1.558 493 HA ILE 61 HA ILE 61 1.752 2.548 -4.365 494 HB ILE 61 HB ILE 61 1.205 4.808 -3.571 495 HG12 ILE 61 2HG1 ILE 61 0.824 3.500 -0.859 496 HG13 ILE 61 1HG1 ILE 61 2.117 4.615 -1.278 497 HG21 ILE 61 1HG2 ILE 61 -0.799 2.729 -2.690 498 HG22 ILE 61 2HG2 ILE 61 -0.593 3.349 -4.328 499 HG23 ILE 61 3HG2 ILE 61 -1.154 4.419 -3.043 500 HD11 ILE 61 3HD1 ILE 61 0.478 6.390 -1.617 501 HD12 ILE 61 1HD1 ILE 61 0.379 5.710 0.006 502 HD13 ILE 61 2HD1 ILE 61 -0.822 5.269 -1.207 503 HA PRO 62 HA PRO 62 6.082 3.216 -3.742 504 HB2 PRO 62 2HB PRO 62 6.496 5.177 -5.622 505 HB3 PRO 62 1HB PRO 62 6.327 3.459 -6.003 506 HG2 PRO 62 2HG PRO 62 4.266 5.637 -6.117 507 HG3 PRO 62 1HG PRO 62 4.596 4.350 -7.295 508 HD2 PRO 62 2HD PRO 62 2.548 4.171 -5.575 509 HD3 PRO 62 1HD PRO 62 3.500 2.738 -6.023 510 H ALA 63 H ALA 63 7.626 4.759 -2.964 511 HA ALA 63 HA ALA 63 6.742 6.502 -0.985 512 HB1 ALA 63 3HB ALA 63 9.038 7.281 -0.828 513 HB2 ALA 63 1HB ALA 63 9.396 6.603 -2.419 514 HB3 ALA 63 2HB ALA 63 8.995 5.536 -1.073 515 H SER 64 H SER 64 6.879 7.099 -4.363 516 HA SER 64 HA SER 64 7.182 9.925 -4.353 517 HB2 SER 64 2HB SER 64 5.747 8.220 -6.410 518 HB3 SER 64 1HB SER 64 6.372 9.850 -6.654 519 HG SER 64 HG SER 64 7.700 8.003 -7.410 520 H VAL 65 H VAL 65 4.645 8.039 -3.207 521 HA VAL 65 HA VAL 65 2.611 10.092 -3.796 522 HB VAL 65 HB VAL 65 2.191 7.231 -2.902 523 HG11 VAL 65 1HG1 VAL 65 0.212 9.266 -3.931 524 HG12 VAL 65 2HG1 VAL 65 0.360 8.719 -2.259 525 HG13 VAL 65 3HG1 VAL 65 -0.144 7.589 -3.516 526 HG21 VAL 65 3HG2 VAL 65 1.491 6.779 -5.205 527 HG22 VAL 65 1HG2 VAL 65 3.174 7.305 -5.133 528 HG23 VAL 65 2HG2 VAL 65 1.921 8.427 -5.664 529 HA PRO 66 HA PRO 66 2.637 11.190 0.598 530 HB2 PRO 66 2HB PRO 66 0.060 12.481 -0.111 531 HB3 PRO 66 1HB PRO 66 1.506 13.183 0.621 532 HG2 PRO 66 2HG PRO 66 0.871 13.713 -1.914 533 HG3 PRO 66 1HG PRO 66 2.562 13.479 -1.428 534 HD2 PRO 66 2HD PRO 66 0.702 11.549 -2.796 535 HD3 PRO 66 1HD PRO 66 2.410 11.906 -3.142 536 H LEU 67 H LEU 67 1.221 10.880 2.461 537 HA LEU 67 HA LEU 67 -0.019 8.323 2.436 538 HB2 LEU 67 2HB LEU 67 1.154 9.187 4.396 539 HB3 LEU 67 1HB LEU 67 -0.021 10.480 4.550 540 HG LEU 67 HG LEU 67 -1.784 8.798 5.024 541 HD11 LEU 67 1HD1 LEU 67 0.500 6.825 4.982 542 HD12 LEU 67 2HD1 LEU 67 -0.852 6.892 3.849 543 HD13 LEU 67 3HD1 LEU 67 -1.139 6.491 5.540 544 HD21 LEU 67 3HD2 LEU 67 -1.015 8.218 7.281 545 HD22 LEU 67 1HD2 LEU 67 -0.636 9.889 6.866 546 HD23 LEU 67 2HD2 LEU 67 0.631 8.663 6.833 547 H LYS 68 H LYS 68 -2.107 7.719 2.234 548 HA LYS 68 HA LYS 68 -4.154 9.703 1.713 549 HB2 LYS 68 2HB LYS 68 -4.148 6.685 1.706 550 HB3 LYS 68 1HB LYS 68 -5.641 7.611 1.598 551 HG2 LYS 68 2HG LYS 68 -4.905 6.898 -0.597 552 HG3 LYS 68 1HG LYS 68 -4.858 8.655 -0.466 553 HD2 LYS 68 2HD LYS 68 -2.453 8.609 -0.185 554 HD3 LYS 68 1HD LYS 68 -2.459 6.843 -0.148 555 HE2 LYS 68 2HE LYS 68 -1.761 7.720 -2.338 556 HE3 LYS 68 1HE LYS 68 -3.238 6.768 -2.445 557 HZ1 LYS 68 3HZ LYS 68 -4.523 8.783 -2.565 558 HZ2 LYS 68 1HZ LYS 68 -3.326 8.816 -3.758 559 HZ3 LYS 68 2HZ LYS 68 -3.144 9.736 -2.351 560 H GLU 69 H GLU 69 -4.952 10.736 3.438 561 HA GLU 69 HA GLU 69 -5.378 9.366 5.959 562 HB2 GLU 69 2HB GLU 69 -5.935 12.183 5.044 563 HB3 GLU 69 1HB GLU 69 -6.293 11.605 6.670 564 HG2 GLU 69 2HG GLU 69 -3.853 11.035 6.899 565 HG3 GLU 69 1HG GLU 69 -3.588 11.865 5.365 566 H PHE 70 H PHE 70 -6.898 7.787 5.081 567 HA PHE 70 HA PHE 70 -9.616 8.883 4.718 568 HB2 PHE 70 2HB PHE 70 -8.434 6.275 3.739 569 HB3 PHE 70 1HB PHE 70 -10.143 6.673 3.638 570 HD1 PHE 70 HD2 PHE 70 -10.079 9.488 2.809 571 HD2 PHE 70 HD1 PHE 70 -7.680 6.204 1.542 572 HE1 PHE 70 HE2 PHE 70 -9.699 10.600 0.651 573 HE2 PHE 70 HE1 PHE 70 -7.299 7.315 -0.620 574 HZ PHE 70 HZ PHE 70 -8.309 9.514 -1.066 575 H ASP 71 H ASP 71 -11.365 7.867 5.771 576 HA ASP 71 HA ASP 71 -10.731 6.862 8.389 577 HB2 ASP 71 2HB ASP 71 -13.201 6.854 8.705 578 HB3 ASP 71 1HB ASP 71 -12.581 8.401 8.138 579 H TYR 72 H TYR 72 -12.130 4.957 9.236 580 HA TYR 72 HA TYR 72 -11.104 2.623 8.083 581 HB2 TYR 72 2HB TYR 72 -11.718 2.832 10.460 582 HB3 TYR 72 1HB TYR 72 -13.421 2.890 10.015 583 HD1 TYR 72 HD2 TYR 72 -10.537 0.684 9.077 584 HD2 TYR 72 HD1 TYR 72 -14.513 0.928 10.582 585 HE1 TYR 72 HE2 TYR 72 -10.635 -1.768 9.199 586 HE2 TYR 72 HE1 TYR 72 -14.618 -1.524 10.706 587 HH TYR 72 HH TYR 72 -11.879 -3.503 10.402 588 H ASN 73 H ASN 73 -11.721 1.420 6.436 589 HA ASN 73 HA ASN 73 -12.884 0.498 4.731 590 HB2 ASN 73 2HB ASN 73 -15.222 1.039 6.571 591 HB3 ASN 73 1HB ASN 73 -15.364 0.145 5.059 592 HD21 ASN 73 1HD2 ASN 73 -15.847 -0.761 7.772 593 HD22 ASN 73 2HD2 ASN 73 -14.795 -2.107 8.019 594 H ALA 74 H ALA 74 -12.255 3.300 4.587 595 HA ALA 74 HA ALA 74 -14.378 4.800 3.469 596 HB1 ALA 74 3HB ALA 74 -12.330 5.839 4.294 597 HB2 ALA 74 1HB ALA 74 -12.636 6.291 2.615 598 HB3 ALA 74 2HB ALA 74 -11.408 5.080 2.995 599 H ARG 75 H ARG 75 -15.162 5.004 1.429 600 HA ARG 75 HA ARG 75 -14.796 2.889 -0.429 601 HB2 ARG 75 2HB ARG 75 -16.188 5.560 -0.714 602 HB3 ARG 75 1HB ARG 75 -16.265 4.279 -1.917 603 HG2 ARG 75 2HG ARG 75 -17.362 2.807 -0.328 604 HG3 ARG 75 1HG ARG 75 -17.212 4.027 0.938 605 HD2 ARG 75 2HD ARG 75 -19.475 3.934 -0.100 606 HD3 ARG 75 1HD ARG 75 -18.695 5.511 -0.230 607 HE ARG 75 HE ARG 75 -18.498 3.654 -2.483 608 HH11 ARG 75 1HH1 ARG 75 -19.870 6.521 -1.146 609 HH12 ARG 75 2HH1 ARG 75 -20.276 7.169 -2.699 610 HH21 ARG 75 1HH2 ARG 75 -19.047 4.498 -4.453 611 HH22 ARG 75 2HH2 ARG 75 -19.830 6.044 -4.534 612 H VAL 76 H VAL 76 -12.745 2.714 -1.271 613 HA VAL 76 HA VAL 76 -11.716 5.017 -2.812 614 HB VAL 76 HB VAL 76 -9.432 4.242 -2.353 615 HG11 VAL 76 1HG1 VAL 76 -10.401 5.916 -0.872 616 HG12 VAL 76 2HG1 VAL 76 -9.329 4.844 0.032 617 HG13 VAL 76 3HG1 VAL 76 -11.077 4.648 0.151 618 HG21 VAL 76 3HG2 VAL 76 -9.011 2.488 -0.683 619 HG22 VAL 76 1HG2 VAL 76 -9.883 1.853 -2.078 620 HG23 VAL 76 2HG2 VAL 76 -10.744 2.177 -0.571 621 H GLU 77 H GLU 77 -9.951 4.234 -4.415 622 HA GLU 77 HA GLU 77 -10.175 1.573 -5.465 623 HB2 GLU 77 2HB GLU 77 -10.910 2.164 -7.714 624 HB3 GLU 77 1HB GLU 77 -12.138 2.609 -6.537 625 HG2 GLU 77 2HG GLU 77 -11.610 4.917 -6.728 626 HG3 GLU 77 1HG GLU 77 -10.144 4.575 -7.647 627 H LEU 78 H LEU 78 -8.894 1.682 -7.801 628 HA LEU 78 HA LEU 78 -6.343 2.984 -7.072 629 HB2 LEU 78 2HB LEU 78 -6.770 0.350 -8.489 630 HB3 LEU 78 1HB LEU 78 -5.211 1.079 -8.141 631 HG LEU 78 HG LEU 78 -7.209 0.112 -6.090 632 HD11 LEU 78 1HD1 LEU 78 -4.517 -0.997 -6.890 633 HD12 LEU 78 2HD1 LEU 78 -6.089 -1.714 -7.255 634 HD13 LEU 78 3HD1 LEU 78 -5.541 -1.597 -5.584 635 HD21 LEU 78 3HD2 LEU 78 -5.995 2.069 -5.297 636 HD22 LEU 78 1HD2 LEU 78 -4.461 1.311 -5.724 637 HD23 LEU 78 2HD2 LEU 78 -5.464 0.617 -4.447 638 H ILE 79 H ILE 79 -5.027 3.834 -8.670 639 HA ILE 79 HA ILE 79 -6.313 4.610 -11.144 640 HB ILE 79 HB ILE 79 -3.503 5.168 -10.162 641 HG12 ILE 79 2HG1 ILE 79 -5.215 6.103 -8.666 642 HG13 ILE 79 1HG1 ILE 79 -4.375 7.384 -9.531 643 HG21 ILE 79 1HG2 ILE 79 -3.659 5.396 -12.577 644 HG22 ILE 79 2HG2 ILE 79 -3.503 6.983 -11.826 645 HG23 ILE 79 3HG2 ILE 79 -5.074 6.435 -12.411 646 HD11 ILE 79 3HD1 ILE 79 -6.261 7.595 -11.061 647 HD12 ILE 79 1HD1 ILE 79 -6.757 7.819 -9.383 648 HD13 ILE 79 2HD1 ILE 79 -7.101 6.297 -10.207 649 H ASN 80 H ASN 80 -2.977 3.355 -10.731 650 HA ASN 80 HA ASN 80 -3.520 1.407 -12.888 651 HB2 ASN 80 2HB ASN 80 -0.942 2.904 -12.345 652 HB3 ASN 80 1HB ASN 80 -1.090 1.567 -13.479 653 HD21 ASN 80 1HD2 ASN 80 -1.761 4.911 -12.908 654 HD22 ASN 80 2HD2 ASN 80 -2.323 5.269 -14.498 655 HA PRO 81 HA PRO 81 -2.149 -1.206 -9.350 656 HB2 PRO 81 2HB PRO 81 -4.074 -3.059 -9.526 657 HB3 PRO 81 1HB PRO 81 -4.373 -1.491 -8.768 658 HG2 PRO 81 2HG PRO 81 -5.092 -2.430 -11.522 659 HG3 PRO 81 1HG PRO 81 -6.067 -1.501 -10.368 660 HD2 PRO 81 2HD PRO 81 -4.667 -0.387 -12.467 661 HD3 PRO 81 1HD PRO 81 -5.118 0.489 -10.993 662 H ILE 82 H ILE 82 -0.593 -2.765 -9.640 663 HA ILE 82 HA ILE 82 -0.930 -4.647 -11.893 664 HB ILE 82 HB ILE 82 1.470 -4.789 -12.234 665 HG12 ILE 82 2HG1 ILE 82 1.748 -2.585 -10.166 666 HG13 ILE 82 1HG1 ILE 82 2.182 -4.269 -9.906 667 HG21 ILE 82 1HG2 ILE 82 0.272 -3.158 -13.565 668 HG22 ILE 82 2HG2 ILE 82 1.884 -2.551 -13.185 669 HG23 ILE 82 3HG2 ILE 82 0.481 -1.935 -12.309 670 HD11 ILE 82 3HD1 ILE 82 4.140 -2.929 -10.358 671 HD12 ILE 82 1HD1 ILE 82 3.450 -2.392 -11.889 672 HD13 ILE 82 2HD1 ILE 82 3.879 -4.089 -11.660 673 H ALA 83 H ALA 83 -0.794 -6.770 -11.402 674 HA ALA 83 HA ALA 83 -0.408 -7.614 -8.670 675 HB1 ALA 83 3HB ALA 83 -2.069 -8.730 -10.071 676 HB2 ALA 83 1HB ALA 83 -0.841 -9.877 -9.538 677 HB3 ALA 83 2HB ALA 83 -0.806 -9.249 -11.184 678 H ASP 84 H ASP 84 1.585 -7.864 -7.805 679 HA ASP 84 HA ASP 84 3.840 -8.230 -9.671 680 HB2 ASP 84 2HB ASP 84 3.576 -6.222 -8.011 681 HB3 ASP 84 1HB ASP 84 4.169 -7.367 -6.813 682 H THR 85 H THR 85 5.614 -9.602 -9.093 683 HA THR 85 HA THR 85 4.824 -11.889 -7.388 684 HB THR 85 HB THR 85 6.180 -13.334 -8.824 685 HG1 THR 85 HG1 THR 85 6.901 -12.264 -10.888 686 HG21 THR 85 3HG2 THR 85 4.844 -13.212 -10.896 687 HG22 THR 85 1HG2 THR 85 4.258 -11.617 -10.416 688 HG23 THR 85 2HG2 THR 85 3.838 -13.039 -9.456 689 H VAL 86 H VAL 86 6.782 -9.296 -7.231 690 HA VAL 86 HA VAL 86 9.378 -10.042 -6.820 691 HB VAL 86 HB VAL 86 9.494 -8.236 -5.025 692 HG11 VAL 86 1HG1 VAL 86 9.978 -7.774 -7.371 693 HG12 VAL 86 2HG1 VAL 86 9.139 -6.413 -6.627 694 HG13 VAL 86 3HG1 VAL 86 8.262 -7.515 -7.689 695 HG21 VAL 86 3HG2 VAL 86 7.204 -8.422 -4.192 696 HG22 VAL 86 1HG2 VAL 86 6.576 -7.917 -5.761 697 HG23 VAL 86 2HG2 VAL 86 7.520 -6.790 -4.785 698 H ALA 87 H ALA 87 6.718 -10.740 -4.632 699 HA ALA 87 HA ALA 87 8.356 -11.367 -2.364 700 HB1 ALA 87 3HB ALA 87 5.468 -12.065 -2.893 701 HB2 ALA 87 1HB ALA 87 6.055 -10.598 -2.105 702 HB3 ALA 87 2HB ALA 87 6.294 -12.169 -1.337 703 H THR 88 H THR 88 8.136 -13.034 -5.188 704 HA THR 88 HA THR 88 7.689 -15.711 -4.262 705 HB THR 88 HB THR 88 7.294 -15.052 -6.628 706 HG1 THR 88 HG1 THR 88 9.178 -17.155 -6.176 707 HG21 THR 88 3HG2 THR 88 9.190 -14.867 -8.170 708 HG22 THR 88 1HG2 THR 88 10.314 -15.015 -6.818 709 HG23 THR 88 2HG2 THR 88 9.260 -13.605 -6.940 710 H ALA 89 H ALA 89 10.311 -13.709 -3.767 711 HA ALA 89 HA ALA 89 12.348 -15.799 -4.021 712 HB1 ALA 89 3HB ALA 89 12.834 -13.546 -4.897 713 HB2 ALA 89 1HB ALA 89 13.978 -14.046 -3.651 714 HB3 ALA 89 2HB ALA 89 12.697 -12.896 -3.265 715 H THR 90 H THR 90 11.313 -13.480 -1.464 716 HA THR 90 HA THR 90 12.832 -14.913 0.533 717 HB THR 90 HB THR 90 12.626 -12.497 0.749 718 HG1 THR 90 HG1 THR 90 11.284 -13.937 2.829 719 HG21 THR 90 3HG2 THR 90 9.676 -12.970 1.232 720 HG22 THR 90 1HG2 THR 90 10.366 -12.248 -0.222 721 HG23 THR 90 2HG2 THR 90 10.518 -11.422 1.328 722 H TYR 91 H TYR 91 9.524 -15.006 -0.557 723 HA TYR 91 HA TYR 91 8.775 -16.652 1.770 724 HB2 TYR 91 2HB TYR 91 7.069 -15.224 -0.278 725 HB3 TYR 91 1HB TYR 91 6.418 -16.325 0.931 726 HD1 TYR 91 HD2 TYR 91 7.156 -15.751 3.425 727 HD2 TYR 91 HD1 TYR 91 7.085 -12.951 0.214 728 HE1 TYR 91 HE2 TYR 91 7.005 -13.904 5.042 729 HE2 TYR 91 HE1 TYR 91 6.939 -11.100 1.827 730 HH TYR 91 HH TYR 91 7.551 -11.463 5.113 731 H GLN 92 H GLN 92 8.376 -18.767 1.577 732 HA GLN 92 HA GLN 92 8.874 -20.134 -0.916 733 HB2 GLN 92 2HB GLN 92 7.957 -21.211 1.765 734 HB3 GLN 92 1HB GLN 92 8.554 -22.177 0.423 735 HG2 GLN 92 2HG GLN 92 10.197 -20.070 1.814 736 HG3 GLN 92 1HG GLN 92 10.186 -21.768 2.282 737 HE21 GLN 92 1HE2 GLN 92 12.388 -21.945 1.834 738 HE22 GLN 92 2HE2 GLN 92 12.988 -22.023 0.217 739 H GLY 93 H GLY 93 6.695 -18.531 -1.362 740 HA2 GLY 93 2HA GLY 93 4.684 -19.160 -2.594 741 HA3 GLY 93 1HA GLY 93 4.392 -20.397 -1.380 742 H ALA 94 H ALA 94 3.716 -17.221 -2.346 743 HA ALA 94 HA ALA 94 2.642 -16.510 0.322 744 HB1 ALA 94 3HB ALA 94 4.433 -15.015 -0.456 745 HB2 ALA 94 1HB ALA 94 2.891 -14.169 -0.315 746 HB3 ALA 94 2HB ALA 94 3.493 -14.646 -1.903 747 H ASP 95 H ASP 95 1.084 -18.151 -1.237 748 HA ASP 95 HA ASP 95 -0.679 -16.607 -2.943 749 HB2 ASP 95 2HB ASP 95 -0.963 -19.498 -2.104 750 HB3 ASP 95 1HB ASP 95 -1.684 -18.714 -3.507 751 H VAL 96 H VAL 96 -0.567 -16.562 0.251 752 HA VAL 96 HA VAL 96 -3.200 -17.276 1.052 753 HB VAL 96 HB VAL 96 -1.544 -17.211 2.753 754 HG11 VAL 96 1HG1 VAL 96 -0.288 -15.264 3.421 755 HG12 VAL 96 2HG1 VAL 96 -1.122 -14.268 2.231 756 HG13 VAL 96 3HG1 VAL 96 -0.038 -15.553 1.698 757 HG21 VAL 96 3HG2 VAL 96 -3.797 -16.555 3.452 758 HG22 VAL 96 1HG2 VAL 96 -3.393 -14.859 3.183 759 HG23 VAL 96 2HG2 VAL 96 -2.563 -15.777 4.442 760 H ASP 97 H ASP 97 -1.792 -13.994 0.572 761 HA ASP 97 HA ASP 97 -4.255 -13.190 -0.711 762 HB2 ASP 97 2HB ASP 97 -4.501 -11.134 0.673 763 HB3 ASP 97 1HB ASP 97 -4.825 -12.620 1.547 764 H TRP 98 H TRP 98 -3.568 -12.517 -2.577 765 HA TRP 98 HA TRP 98 -0.932 -11.934 -3.215 766 HB2 TRP 98 2HB TRP 98 -1.785 -11.308 -5.442 767 HB3 TRP 98 1HB TRP 98 -2.479 -12.809 -4.849 768 HD1 TRP 98 HD1 TRP 98 -4.836 -11.412 -3.057 769 HE1 TRP 98 HE1 TRP 98 -6.855 -10.432 -4.302 770 HE3 TRP 98 HE3 TRP 98 -2.735 -10.810 -7.689 771 HZ2 TRP 98 HZ2 TRP 98 -7.486 -9.527 -6.892 772 HZ3 TRP 98 HZ3 TRP 98 -4.126 -9.880 -9.494 773 HH2 TRP 98 HH2 TRP 98 -6.450 -9.253 -9.101 774 H TYR 99 H TYR 99 0.152 -10.121 -3.933 775 HA TYR 99 HA TYR 99 -0.746 -7.604 -2.704 776 HB2 TYR 99 2HB TYR 99 2.004 -8.658 -3.381 777 HB3 TYR 99 1HB TYR 99 1.718 -6.986 -2.903 778 HD1 TYR 99 HD1 TYR 99 1.185 -10.495 -1.738 779 HD2 TYR 99 HD2 TYR 99 1.699 -6.414 -0.639 780 HE1 TYR 99 HE1 TYR 99 1.291 -11.152 0.630 781 HE2 TYR 99 HE2 TYR 99 1.808 -7.061 1.732 782 HH TYR 99 HH TYR 99 2.120 -10.323 2.741 783 H ILE 100 H ILE 100 -1.547 -6.139 -3.989 784 HA ILE 100 HA ILE 100 -0.748 -5.990 -6.822 785 HB ILE 100 HB ILE 100 -3.149 -4.696 -5.509 786 HG12 ILE 100 2HG1 ILE 100 -3.069 -7.286 -7.088 787 HG13 ILE 100 1HG1 ILE 100 -3.228 -7.188 -5.337 788 HG21 ILE 100 1HG2 ILE 100 -2.506 -5.232 -8.413 789 HG22 ILE 100 2HG2 ILE 100 -2.423 -3.664 -7.610 790 HG23 ILE 100 3HG2 ILE 100 -3.976 -4.472 -7.801 791 HD11 ILE 100 3HD1 ILE 100 -5.338 -5.995 -5.597 792 HD12 ILE 100 1HD1 ILE 100 -5.371 -7.569 -6.390 793 HD13 ILE 100 2HD1 ILE 100 -5.182 -6.102 -7.352 794 H LYS 101 H LYS 101 0.930 -4.586 -6.992 795 HA LYS 101 HA LYS 101 1.079 -2.233 -5.280 796 HB2 LYS 101 2HB LYS 101 2.972 -3.250 -7.423 797 HB3 LYS 101 1HB LYS 101 3.310 -1.940 -6.293 798 HG2 LYS 101 2HG LYS 101 3.440 -3.381 -4.457 799 HG3 LYS 101 1HG LYS 101 2.567 -4.667 -5.285 800 HD2 LYS 101 2HD LYS 101 4.743 -5.460 -5.301 801 HD3 LYS 101 1HD LYS 101 4.616 -4.697 -6.881 802 HE2 LYS 101 2HE LYS 101 5.881 -3.493 -4.417 803 HE3 LYS 101 1HE LYS 101 6.737 -4.176 -5.797 804 HZ1 LYS 101 3HZ LYS 101 5.676 -2.441 -7.187 805 HZ2 LYS 101 1HZ LYS 101 6.698 -1.814 -5.994 806 HZ3 LYS 101 2HZ LYS 101 5.030 -1.753 -5.780 807 H ALA 102 H ALA 102 0.386 -0.238 -5.881 808 HA ALA 102 HA ALA 102 -0.544 0.043 -8.675 809 HB1 ALA 102 3HB ALA 102 -2.468 1.266 -7.861 810 HB2 ALA 102 1HB ALA 102 -1.883 1.144 -6.201 811 HB3 ALA 102 2HB ALA 102 -2.379 -0.307 -7.073 812 H ASP 103 H ASP 103 -0.782 2.191 -9.506 813 HA ASP 103 HA ASP 103 1.380 3.938 -9.087 814 HB2 ASP 103 2HB ASP 103 0.200 3.842 -11.204 815 HB3 ASP 103 1HB ASP 103 -1.296 4.366 -10.440 816 H ASP 104 H ASP 104 -2.067 4.372 -8.212 817 HA ASP 104 HA ASP 104 -1.390 5.846 -5.828 818 HB2 ASP 104 2HB ASP 104 -1.169 7.611 -7.513 819 HB3 ASP 104 1HB ASP 104 -2.779 7.252 -8.130 820 H ILE 105 H ILE 105 -3.289 6.408 -4.540 821 HA ILE 105 HA ILE 105 -5.637 4.706 -5.140 822 HB ILE 105 HB ILE 105 -4.555 5.454 -2.408 823 HG12 ILE 105 2HG1 ILE 105 -4.516 2.798 -3.871 824 HG13 ILE 105 1HG1 ILE 105 -3.119 3.816 -3.548 825 HG21 ILE 105 1HG2 ILE 105 -6.980 5.229 -2.404 826 HG22 ILE 105 2HG2 ILE 105 -6.235 3.880 -1.544 827 HG23 ILE 105 3HG2 ILE 105 -6.853 3.650 -3.182 828 HD11 ILE 105 3HD1 ILE 105 -3.219 1.938 -2.020 829 HD12 ILE 105 1HD1 ILE 105 -4.818 2.442 -1.478 830 HD13 ILE 105 2HD1 ILE 105 -3.415 3.462 -1.150 831 H VAL 106 H VAL 106 -7.464 5.800 -5.483 832 HA VAL 106 HA VAL 106 -7.871 8.430 -4.181 833 HB VAL 106 HB VAL 106 -9.163 9.154 -6.160 834 HG11 VAL 106 1HG1 VAL 106 -6.815 9.789 -6.021 835 HG12 VAL 106 2HG1 VAL 106 -7.268 9.495 -7.700 836 HG13 VAL 106 3HG1 VAL 106 -6.341 8.286 -6.812 837 HG21 VAL 106 3HG2 VAL 106 -9.866 6.956 -6.980 838 HG22 VAL 106 1HG2 VAL 106 -8.203 6.575 -7.423 839 HG23 VAL 106 2HG2 VAL 106 -9.064 7.872 -8.254 840 H LEU 107 H LEU 107 -10.409 8.997 -4.517 841 HA LEU 107 HA LEU 107 -11.848 6.899 -3.139 842 HB2 LEU 107 2HB LEU 107 -12.698 9.648 -4.057 843 HB3 LEU 107 1HB LEU 107 -13.723 8.558 -3.139 844 HG LEU 107 HG LEU 107 -11.101 9.729 -2.177 845 HD11 LEU 107 1HD1 LEU 107 -12.485 11.009 -0.625 846 HD12 LEU 107 2HD1 LEU 107 -13.941 10.352 -1.373 847 HD13 LEU 107 3HD1 LEU 107 -12.868 11.399 -2.301 848 HD21 LEU 107 3HD2 LEU 107 -11.701 8.753 -0.008 849 HD22 LEU 107 1HD2 LEU 107 -11.491 7.509 -1.241 850 HD23 LEU 107 2HD2 LEU 107 -13.114 7.990 -0.741 851 H THR 108 H THR 108 -13.855 5.956 -3.848 852 HA THR 108 HA THR 108 -13.691 4.966 -6.493 853 HB THR 108 HB THR 108 -16.115 4.806 -4.681 854 HG1 THR 108 HG1 THR 108 -13.737 3.238 -4.804 855 HG21 THR 108 3HG2 THR 108 -16.578 4.145 -6.986 856 HG22 THR 108 1HG2 THR 108 -16.561 2.721 -5.942 857 HG23 THR 108 2HG2 THR 108 -15.177 3.071 -6.979 858 H LEU 109 H LEU 109 -14.411 5.730 -8.356 859 HA LEU 109 HA LEU 109 -15.941 8.173 -8.507 860 HB2 LEU 109 2HB LEU 109 -14.968 6.338 -10.703 861 HB3 LEU 109 1HB LEU 109 -15.587 7.964 -10.925 862 HG LEU 109 HG LEU 109 -13.047 7.238 -9.449 863 HD11 LEU 109 1HD1 LEU 109 -13.461 8.518 -12.152 864 HD12 LEU 109 2HD1 LEU 109 -12.820 6.904 -11.841 865 HD13 LEU 109 3HD1 LEU 109 -11.911 8.325 -11.333 866 HD21 LEU 109 3HD2 LEU 109 -12.635 9.640 -9.360 867 HD22 LEU 109 1HD2 LEU 109 -14.132 9.234 -8.521 868 HD23 LEU 109 2HD2 LEU 109 -14.190 9.950 -10.133 869 H GLU 110 H GLU 110 -18.094 8.054 -8.163 870 HA GLU 110 HA GLU 110 -19.602 5.796 -9.297 871 HB2 GLU 110 2HB GLU 110 -21.451 6.573 -7.767 872 HB3 GLU 110 1HB GLU 110 -20.009 5.966 -6.967 873 HG2 GLU 110 2HG GLU 110 -19.289 8.197 -6.437 874 HG3 GLU 110 1HG GLU 110 -20.596 8.893 -7.391 Start of MODEL 5 1 H1 MET 1 1H MET 1 4.155 16.071 -12.880 2 H2 MET 1 2H MET 1 4.463 17.541 -13.660 3 H3 MET 1 3H MET 1 5.748 16.571 -13.148 4 HA MET 1 HA MET 1 3.757 15.833 -15.214 5 HB2 MET 1 2HB MET 1 5.178 17.617 -16.035 6 HB3 MET 1 1HB MET 1 6.623 16.782 -15.475 7 HG2 MET 1 2HG MET 1 6.198 16.647 -17.934 8 HG3 MET 1 1HG MET 1 6.390 15.092 -17.126 9 HE1 MET 1 3HE MET 1 5.328 13.872 -19.256 10 HE2 MET 1 1HE MET 1 5.118 15.426 -20.059 11 HE3 MET 1 2HE MET 1 3.764 14.304 -19.945 12 H MET 2 H MET 2 3.693 13.728 -15.724 13 HA MET 2 HA MET 2 5.986 11.995 -15.443 14 HB2 MET 2 2HB MET 2 4.966 10.413 -13.884 15 HB3 MET 2 1HB MET 2 5.126 11.996 -13.132 16 HG2 MET 2 2HG MET 2 2.756 12.434 -13.533 17 HG3 MET 2 1HG MET 2 2.591 10.858 -14.307 18 HE1 MET 2 3HE MET 2 0.654 10.186 -11.017 19 HE2 MET 2 1HE MET 2 0.650 10.052 -12.775 20 HE3 MET 2 2HE MET 2 0.622 11.642 -12.013 21 H ARG 3 H ARG 3 5.511 9.766 -16.247 22 HA ARG 3 HA ARG 3 3.621 9.931 -18.460 23 HB2 ARG 3 2HB ARG 3 4.685 7.893 -19.299 24 HB3 ARG 3 1HB ARG 3 5.858 9.157 -18.977 25 HG2 ARG 3 2HG ARG 3 5.462 7.303 -16.733 26 HG3 ARG 3 1HG ARG 3 6.074 6.539 -18.199 27 HD2 ARG 3 2HD ARG 3 8.048 7.144 -17.195 28 HD3 ARG 3 1HD ARG 3 7.753 8.570 -18.184 29 HE ARG 3 HE ARG 3 7.156 8.421 -15.292 30 HH11 ARG 3 1HH1 ARG 3 8.164 10.200 -18.074 31 HH12 ARG 3 2HH1 ARG 3 8.644 11.581 -17.148 32 HH21 ARG 3 1HH2 ARG 3 7.799 10.195 -14.115 33 HH22 ARG 3 2HH2 ARG 3 8.460 11.569 -14.933 34 H LEU 4 H LEU 4 3.385 8.912 -15.331 35 HA LEU 4 HA LEU 4 1.915 6.477 -15.683 36 HB2 LEU 4 2HB LEU 4 2.229 8.329 -13.321 37 HB3 LEU 4 1HB LEU 4 1.273 6.863 -13.262 38 HG LEU 4 HG LEU 4 3.425 6.448 -12.265 39 HD11 LEU 4 1HD1 LEU 4 3.290 5.144 -14.985 40 HD12 LEU 4 2HD1 LEU 4 2.423 4.618 -13.542 41 HD13 LEU 4 3HD1 LEU 4 4.184 4.552 -13.583 42 HD21 LEU 4 3HD2 LEU 4 4.645 7.329 -14.883 43 HD22 LEU 4 1HD2 LEU 4 5.516 6.652 -13.507 44 HD23 LEU 4 2HD2 LEU 4 4.709 8.212 -13.357 45 H ALA 5 H ALA 5 -0.268 6.122 -15.649 46 HA ALA 5 HA ALA 5 -2.481 6.484 -15.980 47 HB1 ALA 5 3HB ALA 5 -2.324 7.662 -13.819 48 HB2 ALA 5 1HB ALA 5 -3.568 8.337 -14.871 49 HB3 ALA 5 2HB ALA 5 -2.026 9.170 -14.681 50 H ASN 6 H ASN 6 -0.252 7.804 -17.801 51 HA ASN 6 HA ASN 6 -1.620 9.866 -19.223 52 HB2 ASN 6 2HB ASN 6 0.820 9.695 -19.264 53 HB3 ASN 6 1HB ASN 6 0.718 8.121 -20.047 54 HD21 ASN 6 1HD2 ASN 6 0.396 11.543 -20.454 55 HD22 ASN 6 2HD2 ASN 6 0.315 11.530 -22.178 56 H GLY 7 H GLY 7 -1.189 6.381 -19.782 57 HA2 GLY 7 2HA GLY 7 -3.669 6.105 -21.138 58 HA3 GLY 7 1HA GLY 7 -2.355 6.155 -22.304 59 H ILE 8 H ILE 8 -3.938 4.298 -19.838 60 HA ILE 8 HA ILE 8 -2.383 1.920 -20.644 61 HB ILE 8 HB ILE 8 -2.434 1.077 -18.317 62 HG12 ILE 8 2HG1 ILE 8 -3.375 3.872 -17.604 63 HG13 ILE 8 1HG1 ILE 8 -4.370 2.421 -17.535 64 HG21 ILE 8 1HG2 ILE 8 -0.417 2.168 -19.145 65 HG22 ILE 8 2HG2 ILE 8 -0.643 2.506 -17.430 66 HG23 ILE 8 3HG2 ILE 8 -1.035 3.740 -18.628 67 HD11 ILE 8 3HD1 ILE 8 -3.581 3.059 -15.333 68 HD12 ILE 8 1HD1 ILE 8 -1.910 2.953 -15.881 69 HD13 ILE 8 2HD1 ILE 8 -2.908 1.501 -15.810 70 H VAL 9 H VAL 9 -3.512 -0.152 -19.886 71 HA VAL 9 HA VAL 9 -6.298 -0.052 -20.673 72 HB VAL 9 HB VAL 9 -4.653 -2.430 -19.754 73 HG11 VAL 9 1HG1 VAL 9 -7.292 -2.314 -21.232 74 HG12 VAL 9 2HG1 VAL 9 -7.058 -2.827 -19.559 75 HG13 VAL 9 3HG1 VAL 9 -6.377 -3.778 -20.879 76 HG21 VAL 9 3HG2 VAL 9 -5.262 -1.496 -22.566 77 HG22 VAL 9 1HG2 VAL 9 -4.354 -2.937 -22.117 78 HG23 VAL 9 2HG2 VAL 9 -3.705 -1.337 -21.750 79 H LEU 10 H LEU 10 -7.675 0.707 -19.191 80 HA LEU 10 HA LEU 10 -7.455 0.760 -16.462 81 HB2 LEU 10 2HB LEU 10 -9.847 1.192 -16.361 82 HB3 LEU 10 1HB LEU 10 -9.087 2.086 -17.660 83 HG LEU 10 HG LEU 10 -10.605 -0.488 -18.125 84 HD11 LEU 10 1HD1 LEU 10 -12.493 0.921 -18.840 85 HD12 LEU 10 2HD1 LEU 10 -11.630 2.351 -18.273 86 HD13 LEU 10 3HD1 LEU 10 -12.135 1.110 -17.124 87 HD21 LEU 10 3HD2 LEU 10 -9.677 1.720 -19.970 88 HD22 LEU 10 1HD2 LEU 10 -10.788 0.430 -20.441 89 HD23 LEU 10 2HD2 LEU 10 -9.144 0.037 -19.952 90 H ASP 11 H ASP 11 -9.062 -1.848 -18.342 91 HA ASP 11 HA ASP 11 -8.488 -3.737 -16.249 92 HB2 ASP 11 2HB ASP 11 -10.678 -4.260 -15.516 93 HB3 ASP 11 1HB ASP 11 -10.605 -2.502 -15.482 94 H LYS 12 H LYS 12 -9.405 -5.938 -16.767 95 HA LYS 12 HA LYS 12 -10.488 -6.366 -19.396 96 HB2 LYS 12 2HB LYS 12 -8.180 -6.294 -20.060 97 HB3 LYS 12 1HB LYS 12 -7.715 -7.392 -18.763 98 HG2 LYS 12 2HG LYS 12 -8.837 -9.223 -19.802 99 HG3 LYS 12 1HG LYS 12 -9.605 -8.161 -20.980 100 HD2 LYS 12 2HD LYS 12 -7.453 -7.688 -22.002 101 HD3 LYS 12 1HD LYS 12 -6.632 -8.664 -20.778 102 HE2 LYS 12 2HE LYS 12 -7.025 -9.797 -23.008 103 HE3 LYS 12 1HE LYS 12 -7.602 -10.672 -21.591 104 HZ1 LYS 12 3HZ LYS 12 -9.191 -10.626 -23.466 105 HZ2 LYS 12 1HZ LYS 12 -9.323 -8.950 -23.293 106 HZ3 LYS 12 2HZ LYS 12 -9.826 -9.971 -22.040 107 H ASP 13 H ASP 13 -12.199 -7.445 -18.649 108 HA ASP 13 HA ASP 13 -13.459 -9.247 -18.126 109 HB2 ASP 13 2HB ASP 13 -10.851 -10.735 -17.758 110 HB3 ASP 13 1HB ASP 13 -12.451 -11.465 -17.853 111 H THR 14 H THR 14 -10.663 -9.138 -15.886 112 HA THR 14 HA THR 14 -11.905 -10.280 -13.672 113 HB THR 14 HB THR 14 -10.174 -9.172 -12.295 114 HG1 THR 14 HG1 THR 14 -10.113 -7.160 -13.443 115 HG21 THR 14 3HG2 THR 14 -8.201 -10.114 -13.437 116 HG22 THR 14 1HG2 THR 14 -9.140 -10.260 -14.923 117 HG23 THR 14 2HG2 THR 14 -9.579 -11.213 -13.504 118 H THR 15 H THR 15 -13.812 -9.622 -12.879 119 HA THR 15 HA THR 15 -14.534 -6.805 -12.781 120 HB THR 15 HB THR 15 -16.317 -8.232 -13.459 121 HG1 THR 15 HG1 THR 15 -17.354 -7.949 -10.948 122 HG21 THR 15 3HG2 THR 15 -17.213 -10.056 -12.086 123 HG22 THR 15 1HG2 THR 15 -15.941 -9.791 -10.895 124 HG23 THR 15 2HG2 THR 15 -15.526 -10.351 -12.517 125 H PHE 16 H PHE 16 -13.402 -5.762 -11.217 126 HA PHE 16 HA PHE 16 -13.165 -6.844 -8.540 127 HB2 PHE 16 2HB PHE 16 -12.198 -4.321 -9.868 128 HB3 PHE 16 1HB PHE 16 -12.124 -4.505 -8.119 129 HD1 PHE 16 HD1 PHE 16 -10.642 -6.125 -7.091 130 HD2 PHE 16 HD2 PHE 16 -10.736 -5.608 -11.322 131 HE1 PHE 16 HE1 PHE 16 -8.514 -7.339 -7.281 132 HE2 PHE 16 HE2 PHE 16 -8.604 -6.826 -11.516 133 HZ PHE 16 HZ PHE 16 -7.492 -7.693 -9.490 134 H GLY 17 H GLY 17 -14.771 -6.716 -7.132 135 HA2 GLY 17 2HA GLY 17 -16.961 -4.901 -7.340 136 HA3 GLY 17 1HA GLY 17 -16.612 -5.951 -5.976 137 H GLU 18 H GLU 18 -17.604 -3.640 -5.240 138 HA GLU 18 HA GLU 18 -16.020 -1.377 -5.102 139 HB2 GLU 18 2HB GLU 18 -17.384 -0.765 -3.090 140 HB3 GLU 18 1HB GLU 18 -18.326 -1.252 -4.491 141 HG2 GLU 18 2HG GLU 18 -18.548 -3.518 -3.475 142 HG3 GLU 18 1HG GLU 18 -17.748 -2.897 -2.033 143 H LEU 19 H LEU 19 -14.019 -1.189 -4.400 144 HA LEU 19 HA LEU 19 -12.932 -2.822 -2.261 145 HB2 LEU 19 2HB LEU 19 -11.639 -0.556 -3.800 146 HB3 LEU 19 1HB LEU 19 -10.814 -1.719 -2.778 147 HG LEU 19 HG LEU 19 -12.237 -2.373 -5.370 148 HD11 LEU 19 1HD1 LEU 19 -9.289 -2.188 -4.736 149 HD12 LEU 19 2HD1 LEU 19 -10.211 -1.076 -5.749 150 HD13 LEU 19 3HD1 LEU 19 -9.983 -2.749 -6.258 151 HD21 LEU 19 3HD2 LEU 19 -11.224 -4.582 -5.134 152 HD22 LEU 19 1HD2 LEU 19 -12.289 -4.231 -3.773 153 HD23 LEU 19 2HD2 LEU 19 -10.539 -4.114 -3.577 154 H LYS 20 H LYS 20 -12.578 -2.162 -0.171 155 HA LYS 20 HA LYS 20 -13.089 0.675 0.462 156 HB2 LYS 20 2HB LYS 20 -14.014 -1.727 2.057 157 HB3 LYS 20 1HB LYS 20 -14.198 -0.048 2.552 158 HG2 LYS 20 2HG LYS 20 -15.548 0.329 0.477 159 HG3 LYS 20 1HG LYS 20 -15.488 -1.411 0.195 160 HD2 LYS 20 2HD LYS 20 -16.615 -1.802 2.337 161 HD3 LYS 20 1HD LYS 20 -16.651 -0.061 2.643 162 HE2 LYS 20 2HE LYS 20 -17.967 0.190 0.519 163 HE3 LYS 20 1HE LYS 20 -18.063 -1.569 0.445 164 HZ1 LYS 20 3HZ LYS 20 -20.038 -0.663 1.437 165 HZ2 LYS 20 1HZ LYS 20 -19.135 0.151 2.613 166 HZ3 LYS 20 2HZ LYS 20 -19.183 -1.540 2.601 167 H PHE 21 H PHE 21 -11.557 1.664 1.564 168 HA PHE 21 HA PHE 21 -9.154 0.394 2.390 169 HB2 PHE 21 2HB PHE 21 -9.116 2.697 1.678 170 HB3 PHE 21 1HB PHE 21 -10.285 3.157 2.910 171 HD1 PHE 21 HD2 PHE 21 -6.820 1.856 2.471 172 HD2 PHE 21 HD1 PHE 21 -9.560 3.929 4.994 173 HE1 PHE 21 HE2 PHE 21 -4.981 2.428 4.000 174 HE2 PHE 21 HE1 PHE 21 -7.720 4.501 6.523 175 HZ PHE 21 HZ PHE 21 -5.429 3.751 6.027 176 H SER 22 H SER 22 -8.518 -0.422 4.362 177 HA SER 22 HA SER 22 -10.332 0.020 6.660 178 HB2 SER 22 2HB SER 22 -9.526 -2.078 7.616 179 HB3 SER 22 1HB SER 22 -10.153 -2.356 5.993 180 HG SER 22 HG SER 22 -7.574 -2.588 6.975 181 H ALA 23 H ALA 23 -6.867 -0.767 6.152 182 HA ALA 23 HA ALA 23 -6.029 1.559 7.641 183 HB1 ALA 23 3HB ALA 23 -5.554 -1.161 8.864 184 HB2 ALA 23 1HB ALA 23 -6.655 0.068 9.480 185 HB3 ALA 23 2HB ALA 23 -4.919 0.371 9.461 186 H LEU 24 H LEU 24 -3.481 1.079 8.238 187 HA LEU 24 HA LEU 24 -2.230 0.467 5.667 188 HB2 LEU 24 2HB LEU 24 -1.655 2.565 6.824 189 HB3 LEU 24 1HB LEU 24 -1.087 1.649 8.206 190 HG LEU 24 HG LEU 24 0.705 0.669 6.790 191 HD11 LEU 24 1HD1 LEU 24 1.187 1.630 4.598 192 HD12 LEU 24 2HD1 LEU 24 -0.275 2.611 4.696 193 HD13 LEU 24 3HD1 LEU 24 -0.399 0.853 4.614 194 HD21 LEU 24 3HD2 LEU 24 1.177 2.623 8.168 195 HD22 LEU 24 1HD2 LEU 24 0.629 3.689 6.874 196 HD23 LEU 24 2HD2 LEU 24 2.077 2.708 6.656 197 H ARG 25 H ARG 25 -1.215 -1.439 5.289 198 HA ARG 25 HA ARG 25 -1.140 -3.464 7.326 199 HB2 ARG 25 2HB ARG 25 -1.680 -4.099 5.059 200 HB3 ARG 25 1HB ARG 25 -0.166 -3.437 4.463 201 HG2 ARG 25 2HG ARG 25 -0.053 -5.847 4.529 202 HG3 ARG 25 1HG ARG 25 1.072 -5.161 5.699 203 HD2 ARG 25 2HD ARG 25 -0.124 -7.105 6.605 204 HD3 ARG 25 1HD ARG 25 -0.486 -5.636 7.510 205 HE ARG 25 HE ARG 25 -2.581 -5.565 6.090 206 HH11 ARG 25 1HH1 ARG 25 -1.006 -8.536 6.870 207 HH12 ARG 25 2HH1 ARG 25 -2.469 -9.454 6.766 208 HH21 ARG 25 1HH2 ARG 25 -4.425 -6.731 5.964 209 HH22 ARG 25 2HH2 ARG 25 -4.398 -8.438 6.272 210 H ARG 26 H ARG 26 1.437 -1.958 5.338 211 HA ARG 26 HA ARG 26 3.341 -1.964 7.466 212 HB2 ARG 26 2HB ARG 26 3.298 -4.376 7.036 213 HB3 ARG 26 1HB ARG 26 3.623 -4.101 5.332 214 HG2 ARG 26 2HG ARG 26 5.835 -3.252 5.860 215 HG3 ARG 26 1HG ARG 26 5.513 -3.415 7.587 216 HD2 ARG 26 2HD ARG 26 5.713 -5.632 5.547 217 HD3 ARG 26 1HD ARG 26 6.825 -5.303 6.878 218 HE ARG 26 HE ARG 26 4.387 -5.690 8.063 219 HH11 ARG 26 1HH1 ARG 26 6.441 -7.576 6.029 220 HH12 ARG 26 2HH1 ARG 26 5.822 -9.074 6.634 221 HH21 ARG 26 1HH2 ARG 26 3.599 -7.603 8.807 222 HH22 ARG 26 2HH2 ARG 26 4.235 -9.089 8.197 223 H GLU 27 H GLU 27 5.048 -0.636 7.002 224 HA GLU 27 HA GLU 27 5.354 0.298 4.226 225 HB2 GLU 27 2HB GLU 27 6.620 1.419 6.744 226 HB3 GLU 27 1HB GLU 27 6.653 2.143 5.143 227 HG2 GLU 27 2HG GLU 27 4.203 2.423 5.253 228 HG3 GLU 27 1HG GLU 27 4.228 1.770 6.892 229 H VAL 28 H VAL 28 6.605 -1.281 3.231 230 HA VAL 28 HA VAL 28 8.841 -2.494 4.532 231 HB VAL 28 HB VAL 28 9.438 -3.401 2.298 232 HG11 VAL 28 1HG1 VAL 28 7.431 -4.800 2.045 233 HG12 VAL 28 2HG1 VAL 28 6.524 -3.677 3.060 234 HG13 VAL 28 3HG1 VAL 28 7.870 -4.590 3.740 235 HG21 VAL 28 3HG2 VAL 28 8.717 -1.525 0.897 236 HG22 VAL 28 1HG2 VAL 28 7.036 -1.838 1.326 237 HG23 VAL 28 2HG2 VAL 28 7.942 -3.027 0.387 238 H ARG 29 H ARG 29 10.668 -1.482 5.022 239 HA ARG 29 HA ARG 29 11.304 0.996 3.588 240 HB2 ARG 29 2HB ARG 29 12.110 0.044 6.344 241 HB3 ARG 29 1HB ARG 29 12.610 1.575 5.626 242 HG2 ARG 29 2HG ARG 29 10.262 2.256 5.446 243 HG3 ARG 29 1HG ARG 29 9.766 0.733 6.178 244 HD2 ARG 29 2HD ARG 29 10.899 1.338 8.252 245 HD3 ARG 29 1HD ARG 29 11.477 2.837 7.515 246 HE ARG 29 HE ARG 29 8.603 2.473 7.497 247 HH11 ARG 29 1HH1 ARG 29 11.277 3.742 9.260 248 HH12 ARG 29 2HH1 ARG 29 10.324 4.969 10.017 249 HH21 ARG 29 1HH2 ARG 29 7.386 4.032 8.492 250 HH22 ARG 29 2HH2 ARG 29 8.149 5.134 9.588 251 H ILE 30 H ILE 30 13.541 1.591 3.250 252 HA ILE 30 HA ILE 30 14.837 -0.361 1.689 253 HB ILE 30 HB ILE 30 15.971 2.265 2.686 254 HG12 ILE 30 2HG1 ILE 30 14.448 1.660 0.127 255 HG13 ILE 30 1HG1 ILE 30 13.795 2.529 1.513 256 HG21 ILE 30 1HG2 ILE 30 16.743 0.547 0.318 257 HG22 ILE 30 2HG2 ILE 30 17.687 0.785 1.789 258 HG23 ILE 30 3HG2 ILE 30 17.413 2.139 0.694 259 HD11 ILE 30 3HD1 ILE 30 15.488 4.282 1.174 260 HD12 ILE 30 1HD1 ILE 30 14.422 4.076 -0.217 261 HD13 ILE 30 2HD1 ILE 30 16.059 3.421 -0.257 262 H GLN 31 H GLN 31 15.991 -2.032 2.388 263 HA GLN 31 HA GLN 31 17.274 -1.980 5.003 264 HB2 GLN 31 2HB GLN 31 15.948 -3.938 4.266 265 HB3 GLN 31 1HB GLN 31 17.091 -4.208 2.959 266 HG2 GLN 31 2HG GLN 31 18.863 -4.645 4.580 267 HG3 GLN 31 1HG GLN 31 17.741 -4.333 5.902 268 HE21 GLN 31 1HE2 GLN 31 17.968 -6.396 6.756 269 HE22 GLN 31 2HE2 GLN 31 17.306 -7.794 5.988 270 H ASN 32 H ASN 32 19.309 -1.363 5.261 271 HA ASN 32 HA ASN 32 21.024 -0.614 3.170 272 HB2 ASN 32 2HB ASN 32 21.866 -1.323 5.990 273 HB3 ASN 32 1HB ASN 32 22.713 -0.266 4.865 274 HD21 ASN 32 1HD2 ASN 32 20.181 -0.544 7.161 275 HD22 ASN 32 2HD2 ASN 32 19.715 1.121 7.166 276 H GLU 33 H GLU 33 23.164 -1.470 2.666 277 HA GLU 33 HA GLU 33 23.156 -4.176 1.902 278 HB2 GLU 33 2HB GLU 33 25.443 -2.214 2.180 279 HB3 GLU 33 1HB GLU 33 25.594 -3.793 1.418 280 HG2 GLU 33 2HG GLU 33 23.733 -1.605 0.507 281 HG3 GLU 33 1HG GLU 33 25.312 -1.954 -0.197 282 H ASP 34 H ASP 34 23.930 -2.749 4.910 283 HA ASP 34 HA ASP 34 25.640 -4.881 5.848 284 HB2 ASP 34 2HB ASP 34 24.333 -2.631 7.392 285 HB3 ASP 34 1HB ASP 34 25.667 -3.646 7.943 286 H GLY 35 H GLY 35 22.386 -4.790 5.311 287 HA2 GLY 35 2HA GLY 35 20.954 -6.603 5.806 288 HA3 GLY 35 1HA GLY 35 21.949 -6.992 7.198 289 H SER 36 H SER 36 21.647 -3.851 7.658 290 HA SER 36 HA SER 36 19.401 -4.137 9.492 291 HB2 SER 36 2HB SER 36 20.075 -1.901 10.305 292 HB3 SER 36 1HB SER 36 21.433 -3.027 10.289 293 HG SER 36 HG SER 36 21.811 -0.850 9.389 294 H VAL 37 H VAL 37 17.596 -2.682 9.565 295 HA VAL 37 HA VAL 37 16.754 -1.837 6.883 296 HB VAL 37 HB VAL 37 15.097 -2.013 9.413 297 HG11 VAL 37 1HG1 VAL 37 13.179 -2.034 7.870 298 HG12 VAL 37 2HG1 VAL 37 14.277 -1.808 6.508 299 HG13 VAL 37 3HG1 VAL 37 14.116 -0.545 7.729 300 HG21 VAL 37 3HG2 VAL 37 14.279 -4.154 8.532 301 HG22 VAL 37 1HG2 VAL 37 16.013 -4.202 8.855 302 HG23 VAL 37 2HG2 VAL 37 15.427 -4.043 7.198 303 H SER 38 H SER 38 16.677 0.256 6.294 304 HA SER 38 HA SER 38 17.441 2.331 8.160 305 HB2 SER 38 2HB SER 38 18.318 2.389 5.873 306 HB3 SER 38 1HB SER 38 16.681 2.493 5.228 307 HG SER 38 HG SER 38 18.101 4.511 5.650 308 H ASP 39 H ASP 39 16.215 4.516 7.871 309 HA ASP 39 HA ASP 39 13.474 4.092 8.712 310 HB2 ASP 39 2HB ASP 39 15.112 6.624 8.439 311 HB3 ASP 39 1HB ASP 39 13.492 6.539 9.136 312 H GLU 40 H GLU 40 15.144 5.048 5.827 313 HA GLU 40 HA GLU 40 12.992 6.370 4.512 314 HB2 GLU 40 2HB GLU 40 15.380 4.915 3.353 315 HB3 GLU 40 1HB GLU 40 14.286 5.937 2.433 316 HG2 GLU 40 2HG GLU 40 14.939 7.848 3.886 317 HG3 GLU 40 1HG GLU 40 16.128 6.796 4.656 318 H ILE 41 H ILE 41 11.517 5.588 2.982 319 HA ILE 41 HA ILE 41 10.838 2.755 3.396 320 HB ILE 41 HB ILE 41 9.081 4.989 2.356 321 HG12 ILE 41 2HG1 ILE 41 9.200 3.765 5.129 322 HG13 ILE 41 1HG1 ILE 41 9.804 5.361 4.695 323 HG21 ILE 41 1HG2 ILE 41 7.228 3.428 2.846 324 HG22 ILE 41 2HG2 ILE 41 8.407 2.185 3.258 325 HG23 ILE 41 3HG2 ILE 41 8.324 2.807 1.610 326 HD11 ILE 41 3HD1 ILE 41 6.940 4.447 4.593 327 HD12 ILE 41 1HD1 ILE 41 7.525 6.034 4.091 328 HD13 ILE 41 2HD1 ILE 41 7.663 5.536 5.777 329 H LYS 42 H LYS 42 10.556 1.336 1.741 330 HA LYS 42 HA LYS 42 11.446 2.032 -0.927 331 HB2 LYS 42 2HB LYS 42 11.971 -0.154 0.211 332 HB3 LYS 42 1HB LYS 42 10.270 -0.571 0.091 333 HG2 LYS 42 2HG LYS 42 11.434 -1.681 -1.662 334 HG3 LYS 42 1HG LYS 42 10.465 -0.398 -2.390 335 HD2 LYS 42 2HD LYS 42 12.390 0.994 -2.676 336 HD3 LYS 42 1HD LYS 42 13.391 -0.088 -1.702 337 HE2 LYS 42 2HE LYS 42 12.156 -0.720 -4.388 338 HE3 LYS 42 1HE LYS 42 13.858 -0.370 -4.076 339 HZ1 LYS 42 3HZ LYS 42 12.329 -2.700 -3.047 340 HZ2 LYS 42 1HZ LYS 42 13.936 -2.347 -2.653 341 HZ3 LYS 42 2HZ LYS 42 13.525 -2.730 -4.243 342 H GLU 43 H GLU 43 8.464 0.748 0.534 343 HA GLU 43 HA GLU 43 6.774 2.465 -0.975 344 HB2 GLU 43 2HB GLU 43 5.507 0.634 -2.160 345 HB3 GLU 43 1HB GLU 43 7.104 0.982 -2.805 346 HG2 GLU 43 2HG GLU 43 7.968 -0.980 -1.524 347 HG3 GLU 43 1HG GLU 43 6.302 -1.361 -1.090 348 H ARG 44 H ARG 44 4.441 2.106 -0.461 349 HA ARG 44 HA ARG 44 4.215 1.114 2.313 350 HB2 ARG 44 2HB ARG 44 2.748 3.310 0.843 351 HB3 ARG 44 1HB ARG 44 2.240 2.709 2.414 352 HG2 ARG 44 2HG ARG 44 4.321 3.425 3.413 353 HG3 ARG 44 1HG ARG 44 4.942 3.920 1.836 354 HD2 ARG 44 2HD ARG 44 3.364 5.695 1.674 355 HD3 ARG 44 1HD ARG 44 2.432 5.085 3.040 356 HE ARG 44 HE ARG 44 4.497 5.631 4.392 357 HH11 ARG 44 1HH1 ARG 44 3.745 7.401 1.504 358 HH12 ARG 44 2HH1 ARG 44 4.509 8.841 2.081 359 HH21 ARG 44 1HH2 ARG 44 5.441 7.490 5.101 360 HH22 ARG 44 2HH2 ARG 44 5.450 8.893 4.088 361 H THR 45 H THR 45 2.993 -0.627 2.674 362 HA THR 45 HA THR 45 1.082 -1.535 0.637 363 HB THR 45 HB THR 45 2.030 -2.973 3.135 364 HG1 THR 45 HG1 THR 45 2.801 -3.352 0.413 365 HG21 THR 45 3HG2 THR 45 0.472 -3.966 0.736 366 HG22 THR 45 1HG2 THR 45 -0.144 -3.790 2.379 367 HG23 THR 45 2HG2 THR 45 1.106 -4.984 2.029 368 H TYR 46 H TYR 46 -0.958 -0.852 0.836 369 HA TYR 46 HA TYR 46 -2.097 -0.345 3.500 370 HB2 TYR 46 2HB TYR 46 -3.051 0.461 0.741 371 HB3 TYR 46 1HB TYR 46 -3.939 0.783 2.226 372 HD1 TYR 46 HD1 TYR 46 -0.747 1.497 0.460 373 HD2 TYR 46 HD2 TYR 46 -3.425 2.664 3.556 374 HE1 TYR 46 HE1 TYR 46 0.498 3.597 0.742 375 HE2 TYR 46 HE2 TYR 46 -2.186 4.762 3.846 376 HH TYR 46 HH TYR 46 0.151 5.598 3.398 377 H ASP 47 H ASP 47 -4.241 -1.088 4.004 378 HA ASP 47 HA ASP 47 -4.806 -3.741 2.888 379 HB2 ASP 47 2HB ASP 47 -5.525 -2.352 5.457 380 HB3 ASP 47 1HB ASP 47 -6.397 -3.790 4.937 381 H LEU 48 H LEU 48 -6.303 -3.883 1.339 382 HA LEU 48 HA LEU 48 -8.678 -2.122 1.509 383 HB2 LEU 48 2HB LEU 48 -7.452 -3.318 -0.986 384 HB3 LEU 48 1HB LEU 48 -8.885 -2.310 -0.930 385 HG LEU 48 HG LEU 48 -6.051 -1.459 -0.306 386 HD11 LEU 48 1HD1 LEU 48 -7.952 -0.625 -2.499 387 HD12 LEU 48 2HD1 LEU 48 -6.558 -1.687 -2.692 388 HD13 LEU 48 3HD1 LEU 48 -6.325 0.001 -2.242 389 HD21 LEU 48 3HD2 LEU 48 -8.619 0.114 -0.092 390 HD22 LEU 48 1HD2 LEU 48 -7.002 0.811 -0.025 391 HD23 LEU 48 2HD2 LEU 48 -7.529 -0.314 1.227 392 H LYS 49 H LYS 49 -10.571 -3.107 1.814 393 HA LYS 49 HA LYS 49 -10.747 -6.019 1.426 394 HB2 LYS 49 2HB LYS 49 -11.736 -4.196 3.472 395 HB3 LYS 49 1HB LYS 49 -13.034 -5.185 2.822 396 HG2 LYS 49 2HG LYS 49 -12.033 -6.198 4.797 397 HG3 LYS 49 1HG LYS 49 -11.801 -7.209 3.370 398 HD2 LYS 49 2HD LYS 49 -9.772 -7.150 4.696 399 HD3 LYS 49 1HD LYS 49 -9.505 -6.348 3.147 400 HE2 LYS 49 2HE LYS 49 -9.713 -4.170 4.204 401 HE3 LYS 49 1HE LYS 49 -10.123 -4.927 5.744 402 HZ1 LYS 49 3HZ LYS 49 -7.539 -5.279 4.330 403 HZ2 LYS 49 1HZ LYS 49 -7.940 -5.886 5.857 404 HZ3 LYS 49 2HZ LYS 49 -7.796 -4.217 5.622 405 H SER 50 H SER 50 -11.699 -6.655 -0.398 406 HA SER 50 HA SER 50 -13.495 -4.920 -1.861 407 HB2 SER 50 2HB SER 50 -13.574 -6.724 -3.522 408 HB3 SER 50 1HB SER 50 -11.907 -6.398 -3.053 409 HG SER 50 HG SER 50 -11.830 -8.271 -1.945 410 H LYS 51 H LYS 51 -15.485 -4.645 -0.989 411 HA LYS 51 HA LYS 51 -16.860 -6.809 0.338 412 HB2 LYS 51 2HB LYS 51 -17.534 -3.942 -0.241 413 HB3 LYS 51 1HB LYS 51 -18.796 -5.050 0.289 414 HG2 LYS 51 2HG LYS 51 -16.228 -4.540 1.793 415 HG3 LYS 51 1HG LYS 51 -17.772 -3.756 2.140 416 HD2 LYS 51 2HD LYS 51 -18.786 -5.961 2.575 417 HD3 LYS 51 1HD LYS 51 -17.237 -6.737 2.246 418 HE2 LYS 51 2HE LYS 51 -17.703 -4.714 4.438 419 HE3 LYS 51 1HE LYS 51 -17.747 -6.459 4.673 420 HZ1 LYS 51 3HZ LYS 51 -15.409 -4.836 3.829 421 HZ2 LYS 51 1HZ LYS 51 -15.424 -6.529 3.876 422 HZ3 LYS 51 2HZ LYS 51 -15.613 -5.635 5.300 423 H GLY 52 H GLY 52 -16.739 -5.570 -2.886 424 HA2 GLY 52 2HA GLY 52 -19.198 -6.616 -3.851 425 HA3 GLY 52 1HA GLY 52 -17.790 -6.235 -4.826 426 H GLN 53 H GLN 53 -15.899 -8.005 -3.873 427 HA GLN 53 HA GLN 53 -16.996 -10.571 -4.784 428 HB2 GLN 53 2HB GLN 53 -14.127 -9.664 -4.458 429 HB3 GLN 53 1HB GLN 53 -14.619 -11.244 -5.055 430 HG2 GLN 53 2HG GLN 53 -15.156 -8.579 -6.362 431 HG3 GLN 53 1HG GLN 53 -13.998 -9.800 -6.891 432 HE21 GLN 53 1HE2 GLN 53 -14.801 -11.733 -7.827 433 HE22 GLN 53 2HE2 GLN 53 -16.400 -11.822 -8.464 434 H GLY 54 H GLY 54 -15.421 -9.119 -1.987 435 HA2 GLY 54 2HA GLY 54 -15.759 -9.837 0.225 436 HA3 GLY 54 1HA GLY 54 -16.293 -11.396 -0.374 437 H ARG 55 H ARG 55 -13.242 -9.712 -1.129 438 HA ARG 55 HA ARG 55 -11.777 -11.717 0.455 439 HB2 ARG 55 2HB ARG 55 -11.072 -11.013 -2.405 440 HB3 ARG 55 1HB ARG 55 -10.168 -12.090 -1.352 441 HG2 ARG 55 2HG ARG 55 -12.325 -13.479 -1.237 442 HG3 ARG 55 1HG ARG 55 -12.849 -12.531 -2.629 443 HD2 ARG 55 2HD ARG 55 -11.843 -14.582 -3.405 444 HD3 ARG 55 1HD ARG 55 -10.787 -13.234 -3.825 445 HE ARG 55 HE ARG 55 -10.301 -14.933 -1.465 446 HH11 ARG 55 1HH1 ARG 55 -9.165 -13.404 -4.336 447 HH12 ARG 55 2HH1 ARG 55 -7.527 -13.869 -4.059 448 HH21 ARG 55 1HH2 ARG 55 -8.188 -15.508 -1.126 449 HH22 ARG 55 2HH2 ARG 55 -6.979 -15.042 -2.273 450 H MET 56 H MET 56 -9.534 -11.184 0.866 451 HA MET 56 HA MET 56 -9.132 -8.311 1.248 452 HB2 MET 56 2HB MET 56 -7.685 -10.726 2.364 453 HB3 MET 56 1HB MET 56 -7.215 -9.065 2.700 454 HG2 MET 56 2HG MET 56 -8.530 -10.032 4.515 455 HG3 MET 56 1HG MET 56 -9.334 -8.647 3.783 456 HE1 MET 56 3HE MET 56 -12.371 -10.857 4.810 457 HE2 MET 56 1HE MET 56 -11.650 -9.249 4.868 458 HE3 MET 56 2HE MET 56 -10.871 -10.595 5.700 459 H ILE 57 H ILE 57 -7.663 -7.132 0.129 460 HA ILE 57 HA ILE 57 -5.510 -8.564 -1.312 461 HB ILE 57 HB ILE 57 -5.563 -6.774 -3.040 462 HG12 ILE 57 2HG1 ILE 57 -8.166 -5.969 -1.700 463 HG13 ILE 57 1HG1 ILE 57 -6.681 -5.025 -1.695 464 HG21 ILE 57 1HG2 ILE 57 -7.493 -7.621 -4.260 465 HG22 ILE 57 2HG2 ILE 57 -8.163 -8.284 -2.769 466 HG23 ILE 57 3HG2 ILE 57 -6.661 -8.933 -3.425 467 HD11 ILE 57 3HD1 ILE 57 -6.826 -4.789 -4.125 468 HD12 ILE 57 1HD1 ILE 57 -8.254 -4.152 -3.308 469 HD13 ILE 57 2HD1 ILE 57 -8.329 -5.716 -4.120 470 H GLN 58 H GLN 58 -3.443 -7.722 -1.157 471 HA GLN 58 HA GLN 58 -3.142 -5.333 0.560 472 HB2 GLN 58 2HB GLN 58 -1.159 -7.531 -0.077 473 HB3 GLN 58 1HB GLN 58 -0.769 -6.092 0.853 474 HG2 GLN 58 2HG GLN 58 -2.583 -6.775 2.467 475 HG3 GLN 58 1HG GLN 58 -2.674 -8.304 1.598 476 HE21 GLN 58 1HE2 GLN 58 -1.996 -9.504 3.389 477 HE22 GLN 58 2HE2 GLN 58 -0.371 -9.462 3.963 478 H VAL 59 H VAL 59 -2.859 -3.502 -0.520 479 HA VAL 59 HA VAL 59 -1.591 -3.565 -3.181 480 HB VAL 59 HB VAL 59 -3.315 -1.438 -1.882 481 HG11 VAL 59 1HG1 VAL 59 -3.296 -0.304 -4.044 482 HG12 VAL 59 2HG1 VAL 59 -2.202 -1.528 -4.694 483 HG13 VAL 59 3HG1 VAL 59 -1.656 -0.450 -3.408 484 HG21 VAL 59 3HG2 VAL 59 -4.969 -2.089 -3.597 485 HG22 VAL 59 1HG2 VAL 59 -4.584 -3.413 -2.498 486 HG23 VAL 59 2HG2 VAL 59 -3.894 -3.387 -4.121 487 H SER 60 H SER 60 0.273 -2.415 -3.628 488 HA SER 60 HA SER 60 1.420 -0.811 -1.425 489 HB2 SER 60 2HB SER 60 3.657 -1.635 -2.028 490 HB3 SER 60 1HB SER 60 2.589 -2.961 -1.577 491 HG SER 60 HG SER 60 3.968 -3.121 -3.580 492 H ILE 61 H ILE 61 2.014 1.183 -1.907 493 HA ILE 61 HA ILE 61 2.400 1.949 -4.739 494 HB ILE 61 HB ILE 61 1.613 4.218 -4.124 495 HG12 ILE 61 2HG1 ILE 61 0.925 2.941 -1.454 496 HG13 ILE 61 1HG1 ILE 61 2.164 4.163 -1.721 497 HG21 ILE 61 1HG2 ILE 61 -0.357 2.019 -3.489 498 HG22 ILE 61 2HG2 ILE 61 0.054 2.617 -5.097 499 HG23 ILE 61 3HG2 ILE 61 -0.767 3.673 -3.947 500 HD11 ILE 61 3HD1 ILE 61 0.459 5.773 -2.352 501 HD12 ILE 61 1HD1 ILE 61 0.145 5.112 -0.750 502 HD13 ILE 61 2HD1 ILE 61 -0.795 4.552 -2.133 503 HA PRO 62 HA PRO 62 6.515 3.245 -3.839 504 HB2 PRO 62 2HB PRO 62 6.673 5.694 -5.122 505 HB3 PRO 62 1HB PRO 62 6.818 4.126 -5.924 506 HG2 PRO 62 2HG PRO 62 4.432 5.921 -5.687 507 HG3 PRO 62 1HG PRO 62 5.005 4.999 -7.090 508 HD2 PRO 62 2HD PRO 62 2.945 4.140 -5.609 509 HD3 PRO 62 1HD PRO 62 4.125 2.999 -6.287 510 H ALA 63 H ALA 63 7.807 4.596 -2.523 511 HA ALA 63 HA ALA 63 6.514 5.723 -0.286 512 HB1 ALA 63 3HB ALA 63 8.766 4.752 -0.205 513 HB2 ALA 63 1HB ALA 63 8.734 6.388 0.456 514 HB3 ALA 63 2HB ALA 63 9.378 6.101 -1.162 515 H SER 64 H SER 64 7.251 7.095 -3.333 516 HA SER 64 HA SER 64 7.507 9.828 -2.632 517 HB2 SER 64 2HB SER 64 6.926 10.259 -5.012 518 HB3 SER 64 1HB SER 64 8.168 9.021 -4.836 519 HG SER 64 HG SER 64 5.813 8.824 -6.055 520 H VAL 65 H VAL 65 4.794 7.726 -2.671 521 HA VAL 65 HA VAL 65 2.862 9.923 -2.846 522 HB VAL 65 HB VAL 65 2.299 6.966 -2.517 523 HG11 VAL 65 1HG1 VAL 65 0.550 9.252 -3.446 524 HG12 VAL 65 2HG1 VAL 65 0.427 8.402 -1.906 525 HG13 VAL 65 3HG1 VAL 65 0.082 7.552 -3.413 526 HG21 VAL 65 3HG2 VAL 65 2.478 8.591 -5.064 527 HG22 VAL 65 1HG2 VAL 65 1.915 6.923 -4.948 528 HG23 VAL 65 2HG2 VAL 65 3.588 7.317 -4.557 529 HA PRO 66 HA PRO 66 2.861 10.212 1.634 530 HB2 PRO 66 2HB PRO 66 0.821 11.987 1.888 531 HB3 PRO 66 1HB PRO 66 2.429 12.450 1.318 532 HG2 PRO 66 2HG PRO 66 -0.035 11.828 -0.291 533 HG3 PRO 66 1HG PRO 66 1.094 13.186 -0.463 534 HD2 PRO 66 2HD PRO 66 1.241 11.023 -2.055 535 HD3 PRO 66 1HD PRO 66 2.696 11.890 -1.519 536 H LEU 67 H LEU 67 1.323 10.016 3.473 537 HA LEU 67 HA LEU 67 -0.258 7.657 3.240 538 HB2 LEU 67 2HB LEU 67 1.010 8.212 5.259 539 HB3 LEU 67 1HB LEU 67 0.021 9.639 5.505 540 HG LEU 67 HG LEU 67 -1.962 8.146 5.824 541 HD11 LEU 67 1HD1 LEU 67 -1.168 6.207 4.588 542 HD12 LEU 67 2HD1 LEU 67 -1.588 5.767 6.242 543 HD13 LEU 67 3HD1 LEU 67 0.105 5.947 5.782 544 HD21 LEU 67 3HD2 LEU 67 -0.765 9.041 7.743 545 HD22 LEU 67 1HD2 LEU 67 0.372 7.692 7.692 546 HD23 LEU 67 2HD2 LEU 67 -1.326 7.403 8.078 547 H LYS 68 H LYS 68 -2.395 7.438 2.832 548 HA LYS 68 HA LYS 68 -4.006 9.823 2.436 549 HB2 LYS 68 2HB LYS 68 -4.431 6.912 1.815 550 HB3 LYS 68 1HB LYS 68 -5.773 8.049 1.760 551 HG2 LYS 68 2HG LYS 68 -5.007 7.927 -0.441 552 HG3 LYS 68 1HG LYS 68 -4.336 9.437 0.179 553 HD2 LYS 68 2HD LYS 68 -2.235 8.053 0.717 554 HD3 LYS 68 1HD LYS 68 -2.938 6.825 -0.340 555 HE2 LYS 68 2HE LYS 68 -2.080 9.621 -1.036 556 HE3 LYS 68 1HE LYS 68 -1.498 8.104 -1.712 557 HZ1 LYS 68 3HZ LYS 68 -4.119 9.409 -2.163 558 HZ2 LYS 68 1HZ LYS 68 -3.807 7.809 -2.605 559 HZ3 LYS 68 2HZ LYS 68 -2.920 9.061 -3.303 560 H GLU 69 H GLU 69 -5.036 10.715 4.047 561 HA GLU 69 HA GLU 69 -5.853 9.299 6.422 562 HB2 GLU 69 2HB GLU 69 -6.459 12.125 5.515 563 HB3 GLU 69 1HB GLU 69 -6.683 11.494 7.140 564 HG2 GLU 69 2HG GLU 69 -4.011 11.672 5.756 565 HG3 GLU 69 1HG GLU 69 -4.650 12.910 6.833 566 H PHE 70 H PHE 70 -7.131 7.944 4.515 567 HA PHE 70 HA PHE 70 -9.685 9.050 3.784 568 HB2 PHE 70 2HB PHE 70 -8.469 6.306 3.441 569 HB3 PHE 70 1HB PHE 70 -10.121 6.667 2.956 570 HD1 PHE 70 HD1 PHE 70 -8.991 9.650 2.186 571 HD2 PHE 70 HD2 PHE 70 -8.165 5.627 1.048 572 HE1 PHE 70 HE1 PHE 70 -8.208 10.433 -0.008 573 HE2 PHE 70 HE2 PHE 70 -7.382 6.409 -1.148 574 HZ PHE 70 HZ PHE 70 -7.400 8.815 -1.680 575 H ASP 71 H ASP 71 -11.747 8.067 4.292 576 HA ASP 71 HA ASP 71 -12.060 7.563 7.106 577 HB2 ASP 71 2HB ASP 71 -14.143 7.404 4.912 578 HB3 ASP 71 1HB ASP 71 -14.447 7.559 6.640 579 H TYR 72 H TYR 72 -12.881 5.683 8.101 580 HA TYR 72 HA TYR 72 -11.872 3.241 7.173 581 HB2 TYR 72 2HB TYR 72 -12.345 3.756 9.557 582 HB3 TYR 72 1HB TYR 72 -14.070 3.657 9.222 583 HD1 TYR 72 HD2 TYR 72 -10.950 1.617 8.921 584 HD2 TYR 72 HD1 TYR 72 -15.163 1.619 9.569 585 HE1 TYR 72 HE2 TYR 72 -10.880 -0.799 9.357 586 HE2 TYR 72 HE1 TYR 72 -15.097 -0.801 10.011 587 HH TYR 72 HH TYR 72 -12.233 -2.486 10.591 588 H ASN 73 H ASN 73 -12.552 1.980 5.597 589 HA ASN 73 HA ASN 73 -13.834 0.726 4.224 590 HB2 ASN 73 2HB ASN 73 -15.983 1.462 6.200 591 HB3 ASN 73 1HB ASN 73 -16.348 0.521 4.757 592 HD21 ASN 73 1HD2 ASN 73 -13.301 0.258 6.440 593 HD22 ASN 73 2HD2 ASN 73 -13.565 -1.331 7.052 594 H ALA 74 H ALA 74 -13.443 3.708 3.912 595 HA ALA 74 HA ALA 74 -15.575 4.550 2.190 596 HB1 ALA 74 3HB ALA 74 -14.054 6.160 3.251 597 HB2 ALA 74 1HB ALA 74 -14.046 6.329 1.495 598 HB3 ALA 74 2HB ALA 74 -12.710 5.513 2.308 599 H ARG 75 H ARG 75 -15.814 4.273 -0.002 600 HA ARG 75 HA ARG 75 -14.500 2.097 -1.257 601 HB2 ARG 75 2HB ARG 75 -16.310 4.242 -2.390 602 HB3 ARG 75 1HB ARG 75 -15.756 2.841 -3.301 603 HG2 ARG 75 2HG ARG 75 -16.879 1.351 -1.740 604 HG3 ARG 75 1HG ARG 75 -17.385 2.730 -0.763 605 HD2 ARG 75 2HD ARG 75 -18.182 2.234 -3.633 606 HD3 ARG 75 1HD ARG 75 -19.186 1.889 -2.226 607 HE ARG 75 HE ARG 75 -18.482 4.542 -3.263 608 HH11 ARG 75 1HH1 ARG 75 -20.196 2.622 -0.964 609 HH12 ARG 75 2HH1 ARG 75 -21.277 3.908 -0.549 610 HH21 ARG 75 1HH2 ARG 75 -19.883 6.172 -2.718 611 HH22 ARG 75 2HH2 ARG 75 -21.091 5.889 -1.503 612 H VAL 76 H VAL 76 -12.693 2.007 -2.459 613 HA VAL 76 HA VAL 76 -11.448 4.531 -3.361 614 HB VAL 76 HB VAL 76 -9.226 3.637 -2.718 615 HG11 VAL 76 1HG1 VAL 76 -9.444 3.991 -0.295 616 HG12 VAL 76 2HG1 VAL 76 -11.195 3.830 -0.432 617 HG13 VAL 76 3HG1 VAL 76 -10.370 5.176 -1.216 618 HG21 VAL 76 3HG2 VAL 76 -9.096 1.717 -1.171 619 HG22 VAL 76 1HG2 VAL 76 -9.717 1.257 -2.756 620 HG23 VAL 76 2HG2 VAL 76 -10.823 1.436 -1.394 621 H GLU 77 H GLU 77 -10.106 4.412 -5.186 622 HA GLU 77 HA GLU 77 -9.915 1.835 -6.589 623 HB2 GLU 77 2HB GLU 77 -10.306 2.995 -8.756 624 HB3 GLU 77 1HB GLU 77 -11.711 3.006 -7.702 625 HG2 GLU 77 2HG GLU 77 -11.213 5.318 -7.061 626 HG3 GLU 77 1HG GLU 77 -9.803 5.305 -8.120 627 H LEU 78 H LEU 78 -8.145 1.830 -8.260 628 HA LEU 78 HA LEU 78 -5.850 3.220 -7.037 629 HB2 LEU 78 2HB LEU 78 -5.990 0.591 -8.510 630 HB3 LEU 78 1HB LEU 78 -4.497 1.339 -7.973 631 HG LEU 78 HG LEU 78 -6.739 0.429 -6.161 632 HD11 LEU 78 1HD1 LEU 78 -4.000 -0.757 -6.621 633 HD12 LEU 78 2HD1 LEU 78 -5.518 -1.435 -7.204 634 HD13 LEU 78 3HD1 LEU 78 -5.208 -1.334 -5.472 635 HD21 LEU 78 3HD2 LEU 78 -5.172 0.922 -4.341 636 HD22 LEU 78 1HD2 LEU 78 -5.537 2.373 -5.275 637 HD23 LEU 78 2HD2 LEU 78 -4.000 1.540 -5.508 638 H ILE 79 H ILE 79 -4.368 4.305 -8.205 639 HA ILE 79 HA ILE 79 -4.878 4.750 -11.057 640 HB ILE 79 HB ILE 79 -2.926 6.185 -9.232 641 HG12 ILE 79 2HG1 ILE 79 -5.234 6.496 -8.443 642 HG13 ILE 79 1HG1 ILE 79 -4.596 7.990 -9.120 643 HG21 ILE 79 1HG2 ILE 79 -2.365 6.383 -11.601 644 HG22 ILE 79 2HG2 ILE 79 -2.927 7.926 -10.962 645 HG23 ILE 79 3HG2 ILE 79 -3.999 6.938 -11.958 646 HD11 ILE 79 3HD1 ILE 79 -5.845 7.605 -11.171 647 HD12 ILE 79 1HD1 ILE 79 -6.909 7.617 -9.763 648 HD13 ILE 79 2HD1 ILE 79 -6.463 6.086 -10.518 649 H ASN 80 H ASN 80 -3.736 3.637 -12.519 650 HA ASN 80 HA ASN 80 -2.240 2.242 -13.497 651 HB2 ASN 80 2HB ASN 80 -0.244 3.480 -11.586 652 HB3 ASN 80 1HB ASN 80 0.161 2.521 -13.003 653 HD21 ASN 80 1HD2 ASN 80 -0.746 5.599 -11.817 654 HD22 ASN 80 2HD2 ASN 80 -0.695 6.438 -13.325 655 HA PRO 81 HA PRO 81 -2.359 -0.719 -9.843 656 HB2 PRO 81 2HB PRO 81 -4.607 -2.078 -10.359 657 HB3 PRO 81 1HB PRO 81 -4.649 -0.507 -9.550 658 HG2 PRO 81 2HG PRO 81 -5.210 -1.175 -12.417 659 HG3 PRO 81 1HG PRO 81 -6.070 -0.061 -11.339 660 HD2 PRO 81 2HD PRO 81 -4.183 0.710 -13.210 661 HD3 PRO 81 1HD PRO 81 -4.624 1.657 -11.777 662 H ILE 82 H ILE 82 -1.137 -2.525 -10.050 663 HA ILE 82 HA ILE 82 -1.608 -4.350 -12.309 664 HB ILE 82 HB ILE 82 0.812 -4.753 -12.578 665 HG12 ILE 82 2HG1 ILE 82 1.188 -2.331 -10.787 666 HG13 ILE 82 1HG1 ILE 82 1.502 -3.995 -10.306 667 HG21 ILE 82 1HG2 ILE 82 -0.321 -3.214 -14.092 668 HG22 ILE 82 2HG2 ILE 82 1.346 -2.711 -13.815 669 HG23 ILE 82 3HG2 ILE 82 0.026 -1.868 -13.005 670 HD11 ILE 82 3HD1 ILE 82 3.554 -2.854 -10.870 671 HD12 ILE 82 1HD1 ILE 82 2.932 -2.474 -12.476 672 HD13 ILE 82 2HD1 ILE 82 3.238 -4.152 -12.022 673 H ALA 83 H ALA 83 -1.407 -6.531 -11.802 674 HA ALA 83 HA ALA 83 -1.336 -7.262 -9.021 675 HB1 ALA 83 3HB ALA 83 -2.767 -8.451 -10.609 676 HB2 ALA 83 1HB ALA 83 -1.637 -9.555 -9.826 677 HB3 ALA 83 2HB ALA 83 -1.342 -9.019 -11.481 678 H ASP 84 H ASP 84 0.415 -7.770 -7.830 679 HA ASP 84 HA ASP 84 3.022 -7.564 -9.005 680 HB2 ASP 84 2HB ASP 84 2.253 -6.809 -6.650 681 HB3 ASP 84 1HB ASP 84 2.486 -8.489 -6.183 682 H THR 85 H THR 85 4.624 -9.136 -9.161 683 HA THR 85 HA THR 85 3.640 -11.919 -9.265 684 HB THR 85 HB THR 85 5.466 -12.368 -10.854 685 HG1 THR 85 HG1 THR 85 6.305 -10.033 -11.620 686 HG21 THR 85 3HG2 THR 85 4.624 -11.044 -12.746 687 HG22 THR 85 1HG2 THR 85 3.812 -9.951 -11.623 688 HG23 THR 85 2HG2 THR 85 3.300 -11.636 -11.743 689 H VAL 86 H VAL 86 5.255 -10.080 -7.144 690 HA VAL 86 HA VAL 86 7.520 -11.781 -6.583 691 HB VAL 86 HB VAL 86 7.441 -9.304 -6.061 692 HG11 VAL 86 1HG1 VAL 86 6.396 -8.580 -3.975 693 HG12 VAL 86 2HG1 VAL 86 5.737 -10.197 -3.730 694 HG13 VAL 86 3HG1 VAL 86 5.191 -9.221 -5.093 695 HG21 VAL 86 3HG2 VAL 86 8.124 -11.142 -3.760 696 HG22 VAL 86 1HG2 VAL 86 8.732 -9.503 -3.993 697 HG23 VAL 86 2HG2 VAL 86 9.168 -10.777 -5.134 698 H ALA 87 H ALA 87 7.782 -13.149 -4.786 699 HA ALA 87 HA ALA 87 7.278 -14.476 -3.010 700 HB1 ALA 87 3HB ALA 87 6.290 -12.493 -1.992 701 HB2 ALA 87 1HB ALA 87 5.385 -13.945 -1.565 702 HB3 ALA 87 2HB ALA 87 4.752 -12.837 -2.784 703 H THR 88 H THR 88 5.454 -14.469 -5.826 704 HA THR 88 HA THR 88 3.316 -16.186 -5.324 705 HB THR 88 HB THR 88 3.372 -16.801 -7.710 706 HG1 THR 88 HG1 THR 88 5.093 -16.376 -8.965 707 HG21 THR 88 3HG2 THR 88 2.391 -14.643 -7.044 708 HG22 THR 88 1HG2 THR 88 3.129 -14.554 -8.643 709 HG23 THR 88 2HG2 THR 88 3.963 -13.869 -7.249 710 H ALA 89 H ALA 89 6.699 -16.995 -5.975 711 HA ALA 89 HA ALA 89 6.115 -19.859 -5.885 712 HB1 ALA 89 3HB ALA 89 7.670 -19.008 -7.582 713 HB2 ALA 89 1HB ALA 89 8.445 -20.175 -6.510 714 HB3 ALA 89 2HB ALA 89 8.753 -18.450 -6.307 715 H THR 90 H THR 90 6.914 -17.427 -3.688 716 HA THR 90 HA THR 90 8.556 -19.023 -1.913 717 HB THR 90 HB THR 90 7.235 -16.345 -1.372 718 HG1 THR 90 HG1 THR 90 9.330 -15.514 -1.914 719 HG21 THR 90 3HG2 THR 90 7.931 -17.517 0.672 720 HG22 THR 90 1HG2 THR 90 8.953 -16.113 0.371 721 HG23 THR 90 2HG2 THR 90 9.551 -17.732 0.007 722 H TYR 91 H TYR 91 5.189 -17.993 -2.090 723 HA TYR 91 HA TYR 91 4.529 -18.898 0.552 724 HB2 TYR 91 2HB TYR 91 2.928 -17.811 -1.750 725 HB3 TYR 91 1HB TYR 91 2.126 -18.484 -0.335 726 HD1 TYR 91 HD2 TYR 91 5.183 -16.343 -0.679 727 HD2 TYR 91 HD1 TYR 91 1.247 -16.722 0.908 728 HE1 TYR 91 HE2 TYR 91 5.458 -14.209 0.502 729 HE2 TYR 91 HE1 TYR 91 1.518 -14.584 2.094 730 HH TYR 91 HH TYR 91 3.338 -13.160 2.935 731 H GLN 92 H GLN 92 2.212 -20.230 0.473 732 HA GLN 92 HA GLN 92 3.263 -22.872 -0.251 733 HB2 GLN 92 2HB GLN 92 0.994 -22.253 1.645 734 HB3 GLN 92 1HB GLN 92 1.890 -23.758 1.506 735 HG2 GLN 92 2HG GLN 92 2.989 -21.125 2.490 736 HG3 GLN 92 1HG GLN 92 2.552 -22.508 3.489 737 HE21 GLN 92 1HE2 GLN 92 5.116 -21.106 3.121 738 HE22 GLN 92 2HE2 GLN 92 6.247 -22.323 2.650 739 H GLY 93 H GLY 93 1.270 -24.550 -0.358 740 HA2 GLY 93 2HA GLY 93 0.240 -24.302 -2.937 741 HA3 GLY 93 1HA GLY 93 -0.314 -25.458 -1.741 742 H ALA 94 H ALA 94 -1.541 -23.899 0.139 743 HA ALA 94 HA ALA 94 -3.711 -22.596 -1.401 744 HB1 ALA 94 3HB ALA 94 -4.405 -24.662 -0.284 745 HB2 ALA 94 1HB ALA 94 -5.231 -23.259 0.394 746 HB3 ALA 94 2HB ALA 94 -3.890 -24.002 1.267 747 H ASP 95 H ASP 95 -1.150 -21.818 0.496 748 HA ASP 95 HA ASP 95 -2.521 -19.711 2.020 749 HB2 ASP 95 2HB ASP 95 -1.117 -21.136 3.369 750 HB3 ASP 95 1HB ASP 95 0.249 -20.902 2.280 751 H VAL 96 H VAL 96 -2.785 -17.992 0.653 752 HA VAL 96 HA VAL 96 -0.638 -16.217 0.415 753 HB VAL 96 HB VAL 96 0.159 -17.632 -1.404 754 HG11 VAL 96 1HG1 VAL 96 -1.073 -17.907 -3.484 755 HG12 VAL 96 2HG1 VAL 96 -2.439 -17.012 -2.815 756 HG13 VAL 96 3HG1 VAL 96 -1.987 -18.574 -2.131 757 HG21 VAL 96 3HG2 VAL 96 -0.918 -14.997 -2.417 758 HG22 VAL 96 1HG2 VAL 96 0.416 -15.910 -3.121 759 HG23 VAL 96 2HG2 VAL 96 0.576 -15.219 -1.506 760 H ASP 97 H ASP 97 -1.769 -14.427 0.927 761 HA ASP 97 HA ASP 97 -4.138 -13.729 -0.658 762 HB2 ASP 97 2HB ASP 97 -2.874 -12.405 1.757 763 HB3 ASP 97 1HB ASP 97 -4.240 -11.726 0.878 764 H TRP 98 H TRP 98 -3.743 -12.806 -2.564 765 HA TRP 98 HA TRP 98 -1.131 -12.170 -3.347 766 HB2 TRP 98 2HB TRP 98 -2.052 -11.610 -5.519 767 HB3 TRP 98 1HB TRP 98 -2.783 -13.078 -4.892 768 HD1 TRP 98 HD1 TRP 98 -5.186 -12.036 -3.239 769 HE1 TRP 98 HE1 TRP 98 -7.132 -10.791 -4.356 770 HE3 TRP 98 HE3 TRP 98 -2.816 -10.483 -7.503 771 HZ2 TRP 98 HZ2 TRP 98 -7.612 -9.353 -6.739 772 HZ3 TRP 98 HZ3 TRP 98 -4.099 -9.188 -9.155 773 HH2 TRP 98 HH2 TRP 98 -6.446 -8.636 -8.778 774 H TYR 99 H TYR 99 -0.403 -10.259 -4.478 775 HA TYR 99 HA TYR 99 -1.053 -7.820 -2.953 776 HB2 TYR 99 2HB TYR 99 1.613 -8.716 -4.095 777 HB3 TYR 99 1HB TYR 99 1.334 -7.215 -3.218 778 HD1 TYR 99 HD1 TYR 99 1.326 -10.914 -2.875 779 HD2 TYR 99 HD2 TYR 99 1.337 -7.172 -0.840 780 HE1 TYR 99 HE1 TYR 99 1.760 -12.074 -0.753 781 HE2 TYR 99 HE2 TYR 99 1.777 -8.325 1.286 782 HH TYR 99 HH TYR 99 2.617 -11.675 1.422 783 H ILE 100 H ILE 100 -1.124 -5.854 -4.027 784 HA ILE 100 HA ILE 100 -0.931 -5.901 -6.978 785 HB ILE 100 HB ILE 100 -3.078 -4.457 -5.388 786 HG12 ILE 100 2HG1 ILE 100 -3.352 -6.884 -7.190 787 HG13 ILE 100 1HG1 ILE 100 -3.415 -6.922 -5.431 788 HG21 ILE 100 1HG2 ILE 100 -2.437 -3.271 -7.427 789 HG22 ILE 100 2HG2 ILE 100 -4.063 -3.939 -7.572 790 HG23 ILE 100 3HG2 ILE 100 -2.709 -4.734 -8.377 791 HD11 ILE 100 3HD1 ILE 100 -5.418 -5.525 -5.477 792 HD12 ILE 100 1HD1 ILE 100 -5.637 -7.013 -6.399 793 HD13 ILE 100 2HD1 ILE 100 -5.350 -5.490 -7.238 794 H LYS 101 H LYS 101 0.494 -4.400 -7.687 795 HA LYS 101 HA LYS 101 1.292 -2.216 -5.914 796 HB2 LYS 101 2HB LYS 101 2.347 -2.917 -8.665 797 HB3 LYS 101 1HB LYS 101 3.062 -1.781 -7.530 798 HG2 LYS 101 2HG LYS 101 3.482 -3.632 -5.961 799 HG3 LYS 101 1HG LYS 101 2.805 -4.759 -7.139 800 HD2 LYS 101 2HD LYS 101 5.176 -4.857 -7.359 801 HD3 LYS 101 1HD LYS 101 4.563 -3.976 -8.760 802 HE2 LYS 101 2HE LYS 101 6.521 -2.850 -7.915 803 HE3 LYS 101 1HE LYS 101 5.104 -1.846 -7.602 804 HZ1 LYS 101 3HZ LYS 101 6.392 -3.639 -5.617 805 HZ2 LYS 101 1HZ LYS 101 5.096 -2.597 -5.323 806 HZ3 LYS 101 2HZ LYS 101 6.618 -1.967 -5.696 807 H ALA 102 H ALA 102 1.159 -0.001 -6.484 808 HA ALA 102 HA ALA 102 -0.299 0.745 -8.902 809 HB1 ALA 102 3HB ALA 102 -1.351 1.463 -6.159 810 HB2 ALA 102 1HB ALA 102 -2.080 0.304 -7.272 811 HB3 ALA 102 2HB ALA 102 -2.009 2.014 -7.701 812 H ASP 103 H ASP 103 -0.312 3.085 -9.268 813 HA ASP 103 HA ASP 103 2.120 4.351 -8.326 814 HB2 ASP 103 2HB ASP 103 1.473 4.501 -10.698 815 HB3 ASP 103 1HB ASP 103 -0.007 5.343 -10.247 816 H ASP 104 H ASP 104 -1.338 4.622 -7.802 817 HA ASP 104 HA ASP 104 -0.939 6.271 -5.486 818 HB2 ASP 104 2HB ASP 104 -0.839 7.971 -7.264 819 HB3 ASP 104 1HB ASP 104 -2.405 7.441 -7.865 820 H ILE 105 H ILE 105 -2.809 6.564 -4.216 821 HA ILE 105 HA ILE 105 -5.003 4.664 -4.800 822 HB ILE 105 HB ILE 105 -3.828 5.486 -2.129 823 HG12 ILE 105 2HG1 ILE 105 -3.915 2.813 -3.561 824 HG13 ILE 105 1HG1 ILE 105 -2.490 3.820 -3.336 825 HG21 ILE 105 1HG2 ILE 105 -6.191 3.681 -2.676 826 HG22 ILE 105 2HG2 ILE 105 -6.248 5.283 -1.939 827 HG23 ILE 105 3HG2 ILE 105 -5.448 3.956 -1.101 828 HD11 ILE 105 3HD1 ILE 105 -4.068 2.485 -1.148 829 HD12 ILE 105 1HD1 ILE 105 -2.630 3.482 -0.928 830 HD13 ILE 105 2HD1 ILE 105 -2.518 1.950 -1.793 831 H VAL 106 H VAL 106 -6.850 5.717 -5.316 832 HA VAL 106 HA VAL 106 -7.495 8.207 -3.847 833 HB VAL 106 HB VAL 106 -8.649 9.059 -5.841 834 HG11 VAL 106 1HG1 VAL 106 -6.330 9.701 -5.471 835 HG12 VAL 106 2HG1 VAL 106 -6.664 9.563 -7.196 836 HG13 VAL 106 3HG1 VAL 106 -5.777 8.287 -6.365 837 HG21 VAL 106 3HG2 VAL 106 -9.242 6.931 -6.888 838 HG22 VAL 106 1HG2 VAL 106 -7.542 6.613 -7.237 839 HG23 VAL 106 2HG2 VAL 106 -8.366 7.960 -8.022 840 H LEU 107 H LEU 107 -9.985 8.717 -4.276 841 HA LEU 107 HA LEU 107 -11.438 6.441 -3.199 842 HB2 LEU 107 2HB LEU 107 -12.311 9.284 -3.752 843 HB3 LEU 107 1HB LEU 107 -13.300 8.074 -2.956 844 HG LEU 107 HG LEU 107 -10.680 9.157 -1.897 845 HD11 LEU 107 1HD1 LEU 107 -13.512 9.686 -0.987 846 HD12 LEU 107 2HD1 LEU 107 -12.456 10.828 -1.815 847 HD13 LEU 107 3HD1 LEU 107 -12.043 10.263 -0.198 848 HD21 LEU 107 3HD2 LEU 107 -11.249 7.943 0.153 849 HD22 LEU 107 1HD2 LEU 107 -11.064 6.847 -1.215 850 HD23 LEU 107 2HD2 LEU 107 -12.674 7.268 -0.635 851 H THR 108 H THR 108 -13.251 5.452 -4.117 852 HA THR 108 HA THR 108 -13.274 5.142 -6.930 853 HB THR 108 HB THR 108 -15.553 4.393 -5.076 854 HG1 THR 108 HG1 THR 108 -13.342 2.733 -5.766 855 HG21 THR 108 3HG2 THR 108 -16.056 4.179 -7.466 856 HG22 THR 108 1HG2 THR 108 -15.932 2.591 -6.707 857 HG23 THR 108 2HG2 THR 108 -14.603 3.202 -7.693 858 H LEU 109 H LEU 109 -14.823 5.783 -8.487 859 HA LEU 109 HA LEU 109 -15.947 8.392 -8.068 860 HB2 LEU 109 2HB LEU 109 -16.172 6.498 -10.412 861 HB3 LEU 109 1HB LEU 109 -16.711 8.168 -10.416 862 HG LEU 109 HG LEU 109 -13.853 7.213 -10.124 863 HD11 LEU 109 1HD1 LEU 109 -15.228 8.708 -12.357 864 HD12 LEU 109 2HD1 LEU 109 -14.712 7.021 -12.393 865 HD13 LEU 109 3HD1 LEU 109 -13.511 8.306 -12.282 866 HD21 LEU 109 3HD2 LEU 109 -14.935 10.037 -10.156 867 HD22 LEU 109 1HD2 LEU 109 -13.232 9.583 -10.174 868 HD23 LEU 109 2HD2 LEU 109 -14.227 9.210 -8.767 869 H GLU 110 H GLU 110 -17.170 6.489 -6.311 870 HA GLU 110 HA GLU 110 -19.930 7.151 -6.915 871 HB2 GLU 110 2HB GLU 110 -20.814 4.920 -6.474 872 HB3 GLU 110 1HB GLU 110 -19.731 4.892 -7.857 873 HG2 GLU 110 2HG GLU 110 -17.998 3.860 -6.567 874 HG3 GLU 110 1HG GLU 110 -18.916 4.065 -5.075 Start of MODEL 6 1 H1 MET 1 1H MET 1 -13.137 2.772 -39.846 2 H2 MET 1 2H MET 1 -13.647 4.151 -39.012 3 H3 MET 1 3H MET 1 -14.639 2.780 -39.070 4 HA MET 1 HA MET 1 -11.967 2.877 -37.805 5 HB2 MET 1 2HB MET 1 -13.237 2.772 -35.649 6 HB3 MET 1 1HB MET 1 -13.418 4.285 -36.525 7 HG2 MET 1 2HG MET 1 -15.597 3.521 -37.366 8 HG3 MET 1 1HG MET 1 -15.416 2.031 -36.439 9 HE1 MET 1 3HE MET 1 -15.687 6.198 -34.462 10 HE2 MET 1 1HE MET 1 -15.629 5.955 -36.207 11 HE3 MET 1 2HE MET 1 -14.216 5.585 -35.217 12 H MET 2 H MET 2 -11.155 0.947 -37.211 13 HA MET 2 HA MET 2 -12.785 -1.441 -37.787 14 HB2 MET 2 2HB MET 2 -9.790 -1.026 -37.756 15 HB3 MET 2 1HB MET 2 -10.539 -2.612 -37.882 16 HG2 MET 2 2HG MET 2 -10.895 -0.338 -39.825 17 HG3 MET 2 1HG MET 2 -9.882 -1.764 -40.063 18 HE1 MET 2 3HE MET 2 -12.906 -2.290 -42.551 19 HE2 MET 2 1HE MET 2 -11.155 -2.122 -42.414 20 HE3 MET 2 2HE MET 2 -12.202 -0.739 -42.092 21 H ARG 3 H ARG 3 -12.538 -3.323 -36.421 22 HA ARG 3 HA ARG 3 -12.343 -2.567 -33.596 23 HB2 ARG 3 2HB ARG 3 -14.387 -3.692 -34.405 24 HB3 ARG 3 1HB ARG 3 -13.425 -5.086 -34.879 25 HG2 ARG 3 2HG ARG 3 -12.831 -5.485 -32.540 26 HG3 ARG 3 1HG ARG 3 -13.764 -4.064 -32.058 27 HD2 ARG 3 2HD ARG 3 -14.836 -6.563 -33.374 28 HD3 ARG 3 1HD ARG 3 -15.066 -6.082 -31.693 29 HE ARG 3 HE ARG 3 -16.251 -4.071 -32.678 30 HH11 ARG 3 1HH1 ARG 3 -16.183 -7.140 -34.257 31 HH12 ARG 3 2HH1 ARG 3 -17.654 -6.849 -35.111 32 HH21 ARG 3 1HH2 ARG 3 -18.154 -3.717 -33.787 33 HH22 ARG 3 2HH2 ARG 3 -18.752 -4.944 -34.850 34 H LEU 4 H LEU 4 -10.167 -2.607 -33.108 35 HA LEU 4 HA LEU 4 -8.504 -4.862 -33.828 36 HB2 LEU 4 2HB LEU 4 -7.982 -2.424 -32.118 37 HB3 LEU 4 1HB LEU 4 -6.792 -3.685 -32.374 38 HG LEU 4 HG LEU 4 -6.272 -1.870 -33.840 39 HD11 LEU 4 1HD1 LEU 4 -6.349 -2.940 -36.023 40 HD12 LEU 4 2HD1 LEU 4 -7.580 -4.062 -35.445 41 HD13 LEU 4 3HD1 LEU 4 -5.956 -4.110 -34.762 42 HD21 LEU 4 3HD2 LEU 4 -8.476 -0.789 -33.863 43 HD22 LEU 4 1HD2 LEU 4 -9.082 -2.059 -34.926 44 HD23 LEU 4 2HD2 LEU 4 -7.813 -0.969 -35.487 45 H ALA 5 H ALA 5 -8.070 -6.623 -32.624 46 HA ALA 5 HA ALA 5 -9.549 -7.093 -30.203 47 HB1 ALA 5 3HB ALA 5 -8.552 -9.317 -30.260 48 HB2 ALA 5 1HB ALA 5 -7.436 -8.803 -31.529 49 HB3 ALA 5 2HB ALA 5 -9.168 -8.872 -31.851 50 H ASN 6 H ASN 6 -8.424 -8.029 -28.236 51 HA ASN 6 HA ASN 6 -6.835 -6.053 -27.061 52 HB2 ASN 6 2HB ASN 6 -7.253 -8.927 -26.216 53 HB3 ASN 6 1HB ASN 6 -6.525 -7.683 -25.202 54 HD21 ASN 6 1HD2 ASN 6 -7.828 -6.045 -24.371 55 HD22 ASN 6 2HD2 ASN 6 -9.546 -6.174 -24.345 56 H GLY 7 H GLY 7 -5.800 -9.381 -27.929 57 HA2 GLY 7 2HA GLY 7 -3.732 -10.207 -28.536 58 HA3 GLY 7 1HA GLY 7 -3.285 -8.561 -28.963 59 H ILE 8 H ILE 8 -4.345 -9.315 -25.742 60 HA ILE 8 HA ILE 8 -1.687 -8.571 -24.729 61 HB ILE 8 HB ILE 8 -2.841 -8.161 -22.573 62 HG12 ILE 8 2HG1 ILE 8 -5.324 -8.918 -24.143 63 HG13 ILE 8 1HG1 ILE 8 -4.656 -9.780 -22.764 64 HG21 ILE 8 1HG2 ILE 8 -4.055 -6.155 -23.263 65 HG22 ILE 8 2HG2 ILE 8 -4.108 -6.746 -24.924 66 HG23 ILE 8 3HG2 ILE 8 -2.559 -6.340 -24.181 67 HD11 ILE 8 3HD1 ILE 8 -6.614 -8.486 -22.155 68 HD12 ILE 8 1HD1 ILE 8 -5.827 -7.008 -22.709 69 HD13 ILE 8 2HD1 ILE 8 -5.178 -7.889 -21.326 70 H VAL 9 H VAL 9 -0.838 -9.659 -22.822 71 HA VAL 9 HA VAL 9 -1.638 -12.504 -22.624 72 HB VAL 9 HB VAL 9 1.144 -11.355 -22.268 73 HG11 VAL 9 1HG1 VAL 9 1.864 -13.715 -22.180 74 HG12 VAL 9 2HG1 VAL 9 0.174 -14.219 -22.212 75 HG13 VAL 9 3HG1 VAL 9 0.792 -13.292 -20.844 76 HG21 VAL 9 3HG2 VAL 9 0.005 -13.012 -24.526 77 HG22 VAL 9 1HG2 VAL 9 1.698 -12.550 -24.344 78 HG23 VAL 9 2HG2 VAL 9 0.471 -11.312 -24.607 79 H LEU 10 H LEU 10 0.269 -10.114 -20.780 80 HA LEU 10 HA LEU 10 -0.812 -11.189 -18.265 81 HB2 LEU 10 2HB LEU 10 1.399 -9.169 -18.712 82 HB3 LEU 10 1HB LEU 10 0.962 -9.906 -17.179 83 HG LEU 10 HG LEU 10 2.144 -11.334 -19.568 84 HD11 LEU 10 1HD1 LEU 10 3.739 -9.916 -18.373 85 HD12 LEU 10 2HD1 LEU 10 4.097 -11.626 -18.136 86 HD13 LEU 10 3HD1 LEU 10 3.310 -10.705 -16.853 87 HD21 LEU 10 3HD2 LEU 10 1.357 -12.390 -16.854 88 HD22 LEU 10 1HD2 LEU 10 2.248 -13.287 -18.084 89 HD23 LEU 10 2HD2 LEU 10 0.589 -12.773 -18.396 90 H ASP 11 H ASP 11 -0.165 -8.052 -19.767 91 HA ASP 11 HA ASP 11 -1.488 -6.386 -17.996 92 HB2 ASP 11 2HB ASP 11 -1.278 -5.987 -20.993 93 HB3 ASP 11 1HB ASP 11 -1.479 -4.728 -19.777 94 H LYS 12 H LYS 12 -3.486 -7.198 -17.317 95 HA LYS 12 HA LYS 12 -5.682 -6.948 -19.280 96 HB2 LYS 12 2HB LYS 12 -6.847 -8.814 -18.265 97 HB3 LYS 12 1HB LYS 12 -5.244 -9.344 -18.757 98 HG2 LYS 12 2HG LYS 12 -4.455 -9.259 -16.475 99 HG3 LYS 12 1HG LYS 12 -5.979 -8.549 -15.936 100 HD2 LYS 12 2HD LYS 12 -7.150 -10.614 -16.671 101 HD3 LYS 12 1HD LYS 12 -5.584 -11.320 -17.081 102 HE2 LYS 12 2HE LYS 12 -6.423 -10.394 -14.326 103 HE3 LYS 12 1HE LYS 12 -6.409 -12.068 -14.878 104 HZ1 LYS 12 3HZ LYS 12 -4.435 -11.617 -13.622 105 HZ2 LYS 12 1HZ LYS 12 -4.044 -10.290 -14.593 106 HZ3 LYS 12 2HZ LYS 12 -4.000 -11.851 -15.235 107 H ASP 13 H ASP 13 -7.876 -7.010 -17.875 108 HA ASP 13 HA ASP 13 -7.693 -4.883 -15.909 109 HB2 ASP 13 2HB ASP 13 -9.497 -4.672 -17.486 110 HB3 ASP 13 1HB ASP 13 -10.045 -6.316 -17.166 111 H THR 14 H THR 14 -7.596 -5.240 -13.811 112 HA THR 14 HA THR 14 -7.423 -7.822 -12.679 113 HB THR 14 HB THR 14 -7.483 -6.580 -10.462 114 HG1 THR 14 HG1 THR 14 -8.726 -4.758 -11.344 115 HG21 THR 14 3HG2 THR 14 -5.289 -5.539 -10.801 116 HG22 THR 14 1HG2 THR 14 -5.522 -5.603 -12.548 117 HG23 THR 14 2HG2 THR 14 -5.381 -7.097 -11.623 118 H THR 15 H THR 15 -10.136 -5.792 -13.253 119 HA THR 15 HA THR 15 -12.363 -6.040 -12.964 120 HB THR 15 HB THR 15 -11.741 -8.924 -12.267 121 HG1 THR 15 HG1 THR 15 -11.673 -7.523 -14.629 122 HG21 THR 15 3HG2 THR 15 -14.017 -8.248 -11.616 123 HG22 THR 15 1HG2 THR 15 -14.046 -9.366 -12.980 124 HG23 THR 15 2HG2 THR 15 -14.305 -7.644 -13.249 125 H PHE 16 H PHE 16 -12.192 -4.592 -11.148 126 HA PHE 16 HA PHE 16 -13.202 -5.893 -8.699 127 HB2 PHE 16 2HB PHE 16 -11.246 -3.587 -8.839 128 HB3 PHE 16 1HB PHE 16 -12.111 -4.040 -7.377 129 HD1 PHE 16 HD1 PHE 16 -11.873 -6.632 -6.762 130 HD2 PHE 16 HD2 PHE 16 -9.101 -4.390 -9.095 131 HE1 PHE 16 HE1 PHE 16 -10.098 -8.237 -6.189 132 HE2 PHE 16 HE2 PHE 16 -7.326 -5.996 -8.528 133 HZ PHE 16 HZ PHE 16 -7.818 -7.920 -7.077 134 H GLY 17 H GLY 17 -15.044 -5.024 -7.880 135 HA2 GLY 17 2HA GLY 17 -16.167 -2.665 -9.228 136 HA3 GLY 17 1HA GLY 17 -17.051 -3.807 -8.231 137 H GLU 18 H GLU 18 -17.125 -3.524 -5.999 138 HA GLU 18 HA GLU 18 -16.383 -0.877 -5.051 139 HB2 GLU 18 2HB GLU 18 -18.628 -1.729 -4.568 140 HB3 GLU 18 1HB GLU 18 -17.939 -3.107 -3.721 141 HG2 GLU 18 2HG GLU 18 -16.888 -1.479 -2.128 142 HG3 GLU 18 1HG GLU 18 -17.827 -0.211 -2.910 143 H LEU 19 H LEU 19 -14.295 -0.690 -4.411 144 HA LEU 19 HA LEU 19 -13.181 -2.724 -2.582 145 HB2 LEU 19 2HB LEU 19 -11.800 -0.546 -4.171 146 HB3 LEU 19 1HB LEU 19 -10.991 -1.612 -3.037 147 HG LEU 19 HG LEU 19 -12.360 -2.469 -5.597 148 HD11 LEU 19 1HD1 LEU 19 -10.088 -2.985 -6.364 149 HD12 LEU 19 2HD1 LEU 19 -9.430 -2.320 -4.868 150 HD13 LEU 19 3HD1 LEU 19 -10.278 -1.269 -6.004 151 HD21 LEU 19 3HD2 LEU 19 -12.546 -4.190 -3.880 152 HD22 LEU 19 1HD2 LEU 19 -10.813 -4.089 -3.566 153 HD23 LEU 19 2HD2 LEU 19 -11.395 -4.682 -5.121 154 H LYS 20 H LYS 20 -12.884 -2.194 -0.449 155 HA LYS 20 HA LYS 20 -13.281 0.644 0.272 156 HB2 LYS 20 2HB LYS 20 -14.071 -1.764 1.917 157 HB3 LYS 20 1HB LYS 20 -14.316 -0.082 2.349 158 HG2 LYS 20 2HG LYS 20 -16.388 -0.483 1.545 159 HG3 LYS 20 1HG LYS 20 -15.616 -0.093 0.009 160 HD2 LYS 20 2HD LYS 20 -16.878 -2.093 -0.315 161 HD3 LYS 20 1HD LYS 20 -15.174 -2.553 -0.296 162 HE2 LYS 20 2HE LYS 20 -16.570 -4.112 1.006 163 HE3 LYS 20 1HE LYS 20 -15.377 -3.296 2.015 164 HZ1 LYS 20 3HZ LYS 20 -18.183 -2.362 1.770 165 HZ2 LYS 20 1HZ LYS 20 -17.034 -1.901 2.920 166 HZ3 LYS 20 2HZ LYS 20 -17.683 -3.459 2.956 167 H PHE 21 H PHE 21 -11.932 1.609 1.684 168 HA PHE 21 HA PHE 21 -9.451 0.323 2.358 169 HB2 PHE 21 2HB PHE 21 -9.491 2.696 1.778 170 HB3 PHE 21 1HB PHE 21 -10.563 3.037 3.132 171 HD1 PHE 21 HD1 PHE 21 -7.145 1.893 2.249 172 HD2 PHE 21 HD2 PHE 21 -9.694 3.456 5.287 173 HE1 PHE 21 HE1 PHE 21 -5.191 2.287 3.686 174 HE2 PHE 21 HE2 PHE 21 -7.738 3.852 6.725 175 HZ PHE 21 HZ PHE 21 -5.483 3.268 5.923 176 H SER 22 H SER 22 -8.706 -0.337 4.350 177 HA SER 22 HA SER 22 -10.630 -0.293 6.605 178 HB2 SER 22 2HB SER 22 -10.463 -2.564 5.684 179 HB3 SER 22 1HB SER 22 -8.712 -2.524 5.876 180 HG SER 22 HG SER 22 -9.090 -2.296 8.165 181 H ALA 23 H ALA 23 -7.154 -0.975 6.017 182 HA ALA 23 HA ALA 23 -6.355 1.014 7.953 183 HB1 ALA 23 3HB ALA 23 -5.870 -1.903 8.582 184 HB2 ALA 23 1HB ALA 23 -6.989 -0.838 9.431 185 HB3 ALA 23 2HB ALA 23 -5.254 -0.527 9.497 186 H LEU 24 H LEU 24 -3.891 0.813 8.363 187 HA LEU 24 HA LEU 24 -2.576 0.529 5.780 188 HB2 LEU 24 2HB LEU 24 -2.160 2.518 7.155 189 HB3 LEU 24 1HB LEU 24 -1.555 1.507 8.454 190 HG LEU 24 HG LEU 24 0.329 0.796 6.988 191 HD11 LEU 24 1HD1 LEU 24 -0.756 2.875 5.091 192 HD12 LEU 24 2HD1 LEU 24 -0.723 1.132 4.821 193 HD13 LEU 24 3HD1 LEU 24 0.786 2.032 4.935 194 HD21 LEU 24 3HD2 LEU 24 0.624 2.624 8.579 195 HD22 LEU 24 1HD2 LEU 24 0.065 3.784 7.372 196 HD23 LEU 24 2HD2 LEU 24 1.572 2.900 7.119 197 H ARG 25 H ARG 25 -1.791 -1.427 5.217 198 HA ARG 25 HA ARG 25 -1.366 -3.578 6.976 199 HB2 ARG 25 2HB ARG 25 -1.750 -3.975 4.615 200 HB3 ARG 25 1HB ARG 25 -0.288 -3.100 4.185 201 HG2 ARG 25 2HG ARG 25 0.181 -5.424 3.975 202 HG3 ARG 25 1HG ARG 25 1.033 -4.839 5.403 203 HD2 ARG 25 2HD ARG 25 0.042 -6.970 5.921 204 HD3 ARG 25 1HD ARG 25 -0.828 -5.716 6.806 205 HE ARG 25 HE ARG 25 -2.603 -5.909 5.152 206 HH11 ARG 25 1HH1 ARG 25 -0.321 -8.497 5.270 207 HH12 ARG 25 2HH1 ARG 25 -1.383 -9.607 4.480 208 HH21 ARG 25 1HH2 ARG 25 -3.937 -7.347 4.153 209 HH22 ARG 25 2HH2 ARG 25 -3.404 -8.975 3.873 210 H ARG 26 H ARG 26 1.097 -1.599 5.268 211 HA ARG 26 HA ARG 26 2.814 -1.353 7.484 212 HB2 ARG 26 2HB ARG 26 3.160 -3.744 7.282 213 HB3 ARG 26 1HB ARG 26 3.531 -3.588 5.570 214 HG2 ARG 26 2HG ARG 26 5.559 -2.359 6.087 215 HG3 ARG 26 1HG ARG 26 5.170 -2.407 7.806 216 HD2 ARG 26 2HD ARG 26 5.745 -4.787 6.039 217 HD3 ARG 26 1HD ARG 26 6.837 -4.092 7.237 218 HE ARG 26 HE ARG 26 4.492 -4.745 8.565 219 HH11 ARG 26 1HH1 ARG 26 7.056 -6.360 6.913 220 HH12 ARG 26 2HH1 ARG 26 6.835 -7.834 7.793 221 HH21 ARG 26 1HH2 ARG 26 4.247 -6.616 9.704 222 HH22 ARG 26 2HH2 ARG 26 5.261 -7.976 9.363 223 H GLU 27 H GLU 27 4.414 0.125 7.100 224 HA GLU 27 HA GLU 27 4.966 0.904 4.312 225 HB2 GLU 27 2HB GLU 27 5.838 2.264 6.879 226 HB3 GLU 27 1HB GLU 27 6.012 2.898 5.248 227 HG2 GLU 27 2HG GLU 27 3.594 3.066 5.030 228 HG3 GLU 27 1HG GLU 27 3.388 2.365 6.635 229 H VAL 28 H VAL 28 6.461 -0.561 3.543 230 HA VAL 28 HA VAL 28 8.497 -1.663 5.260 231 HB VAL 28 HB VAL 28 9.287 -2.870 3.234 232 HG11 VAL 28 1HG1 VAL 28 6.309 -3.035 3.731 233 HG12 VAL 28 2HG1 VAL 28 7.566 -3.850 4.661 234 HG13 VAL 28 3HG1 VAL 28 7.299 -4.284 2.973 235 HG21 VAL 28 3HG2 VAL 28 6.997 -1.477 1.832 236 HG22 VAL 28 1HG2 VAL 28 8.027 -2.737 1.150 237 HG23 VAL 28 2HG2 VAL 28 8.708 -1.163 1.553 238 H ARG 29 H ARG 29 10.491 -0.920 5.600 239 HA ARG 29 HA ARG 29 11.486 1.306 3.972 240 HB2 ARG 29 2HB ARG 29 12.347 0.215 6.655 241 HB3 ARG 29 1HB ARG 29 13.244 1.463 5.799 242 HG2 ARG 29 2HG ARG 29 11.255 2.915 5.868 243 HG3 ARG 29 1HG ARG 29 10.395 1.670 6.777 244 HD2 ARG 29 2HD ARG 29 11.982 1.850 8.599 245 HD3 ARG 29 1HD ARG 29 12.960 2.990 7.675 246 HE ARG 29 HE ARG 29 10.402 4.064 7.897 247 HH11 ARG 29 1HH1 ARG 29 13.009 3.218 9.990 248 HH12 ARG 29 2HH1 ARG 29 12.650 4.474 11.123 249 HH21 ARG 29 1HH2 ARG 29 9.960 5.680 9.363 250 HH22 ARG 29 2HH2 ARG 29 10.942 5.836 10.781 251 H ILE 30 H ILE 30 13.746 1.358 3.319 252 HA ILE 30 HA ILE 30 14.512 -1.035 1.945 253 HB ILE 30 HB ILE 30 16.111 1.514 2.312 254 HG12 ILE 30 2HG1 ILE 30 14.207 0.809 0.057 255 HG13 ILE 30 1HG1 ILE 30 13.808 1.894 1.383 256 HG21 ILE 30 1HG2 ILE 30 17.423 -0.380 1.479 257 HG22 ILE 30 2HG2 ILE 30 17.228 0.859 0.239 258 HG23 ILE 30 3HG2 ILE 30 16.261 -0.615 0.171 259 HD11 ILE 30 3HD1 ILE 30 15.566 3.418 0.682 260 HD12 ILE 30 1HD1 ILE 30 14.420 3.115 -0.623 261 HD13 ILE 30 2HD1 ILE 30 15.997 2.326 -0.637 262 H GLN 31 H GLN 31 16.210 -2.462 2.392 263 HA GLN 31 HA GLN 31 17.403 -2.192 5.083 264 HB2 GLN 31 2HB GLN 31 15.939 -4.178 4.636 265 HB3 GLN 31 1HB GLN 31 17.104 -4.715 3.437 266 HG2 GLN 31 2HG GLN 31 18.794 -5.019 5.113 267 HG3 GLN 31 1HG GLN 31 17.768 -4.282 6.346 268 HE21 GLN 31 1HE2 GLN 31 17.794 -6.106 7.665 269 HE22 GLN 31 2HE2 GLN 31 16.951 -7.557 7.253 270 H ASN 32 H ASN 32 19.533 -1.807 5.248 271 HA ASN 32 HA ASN 32 21.133 -1.459 2.901 272 HB2 ASN 32 2HB ASN 32 21.966 -1.365 5.814 273 HB3 ASN 32 1HB ASN 32 22.910 -0.770 4.454 274 HD21 ASN 32 1HD2 ASN 32 20.275 -0.155 6.582 275 HD22 ASN 32 2HD2 ASN 32 19.971 1.461 6.060 276 H GLU 33 H GLU 33 23.399 -2.324 2.762 277 HA GLU 33 HA GLU 33 23.433 -5.121 2.542 278 HB2 GLU 33 2HB GLU 33 25.629 -3.052 2.531 279 HB3 GLU 33 1HB GLU 33 25.982 -4.764 2.349 280 HG2 GLU 33 2HG GLU 33 25.874 -3.612 0.197 281 HG3 GLU 33 1HG GLU 33 24.651 -4.872 0.336 282 H ASP 34 H ASP 34 24.213 -3.063 5.230 283 HA ASP 34 HA ASP 34 25.720 -4.847 6.811 284 HB2 ASP 34 2HB ASP 34 23.803 -2.696 7.741 285 HB3 ASP 34 1HB ASP 34 25.127 -3.388 8.675 286 H GLY 35 H GLY 35 22.461 -5.038 5.869 287 HA2 GLY 35 2HA GLY 35 20.929 -6.731 6.416 288 HA3 GLY 35 1HA GLY 35 21.904 -7.140 7.818 289 H SER 36 H SER 36 21.665 -3.908 7.984 290 HA SER 36 HA SER 36 19.382 -4.023 9.823 291 HB2 SER 36 2HB SER 36 21.601 -1.989 9.507 292 HB3 SER 36 1HB SER 36 20.246 -1.800 10.621 293 HG SER 36 HG SER 36 22.512 -3.218 10.940 294 H VAL 37 H VAL 37 17.717 -2.500 9.797 295 HA VAL 37 HA VAL 37 16.845 -1.789 7.161 296 HB VAL 37 HB VAL 37 15.576 -1.093 9.824 297 HG11 VAL 37 1HG1 VAL 37 14.719 0.271 7.987 298 HG12 VAL 37 2HG1 VAL 37 13.500 -0.889 8.514 299 HG13 VAL 37 3HG1 VAL 37 14.412 -1.180 7.033 300 HG21 VAL 37 3HG2 VAL 37 15.890 -3.500 9.607 301 HG22 VAL 37 1HG2 VAL 37 15.127 -3.475 8.017 302 HG23 VAL 37 2HG2 VAL 37 14.181 -3.089 9.454 303 H SER 38 H SER 38 16.535 0.225 6.268 304 HA SER 38 HA SER 38 18.339 2.293 7.255 305 HB2 SER 38 2HB SER 38 18.527 1.644 4.896 306 HB3 SER 38 1HB SER 38 16.840 2.079 4.628 307 HG SER 38 HG SER 38 19.078 3.720 5.008 308 H ASP 39 H ASP 39 17.658 4.602 6.923 309 HA ASP 39 HA ASP 39 15.180 5.144 8.278 310 HB2 ASP 39 2HB ASP 39 15.860 7.506 8.078 311 HB3 ASP 39 1HB ASP 39 17.162 6.508 8.711 312 H GLU 40 H GLU 40 16.282 5.098 4.978 313 HA GLU 40 HA GLU 40 14.030 6.525 3.897 314 HB2 GLU 40 2HB GLU 40 16.295 4.954 2.702 315 HB3 GLU 40 1HB GLU 40 14.929 5.432 1.703 316 HG2 GLU 40 2HG GLU 40 16.732 7.290 3.248 317 HG3 GLU 40 1HG GLU 40 16.754 7.018 1.506 318 H ILE 41 H ILE 41 12.309 5.712 2.724 319 HA ILE 41 HA ILE 41 11.460 3.032 3.564 320 HB ILE 41 HB ILE 41 9.793 5.310 2.456 321 HG12 ILE 41 2HG1 ILE 41 10.149 4.345 5.312 322 HG13 ILE 41 1HG1 ILE 41 10.759 5.859 4.653 323 HG21 ILE 41 1HG2 ILE 41 7.863 4.005 3.257 324 HG22 ILE 41 2HG2 ILE 41 8.948 2.690 3.712 325 HG23 ILE 41 3HG2 ILE 41 8.772 3.142 2.016 326 HD11 ILE 41 3HD1 ILE 41 7.861 5.098 4.968 327 HD12 ILE 41 1HD1 ILE 41 8.456 6.607 4.270 328 HD13 ILE 41 2HD1 ILE 41 8.767 6.234 5.966 329 H LYS 42 H LYS 42 10.718 1.504 2.107 330 HA LYS 42 HA LYS 42 11.619 1.743 -0.632 331 HB2 LYS 42 2HB LYS 42 11.964 -0.355 0.584 332 HB3 LYS 42 1HB LYS 42 10.234 -0.514 0.843 333 HG2 LYS 42 2HG LYS 42 10.916 -1.997 -0.915 334 HG3 LYS 42 1HG LYS 42 9.910 -0.717 -1.596 335 HD2 LYS 42 2HD LYS 42 11.968 0.471 -2.311 336 HD3 LYS 42 1HD LYS 42 12.930 -0.876 -1.696 337 HE2 LYS 42 2HE LYS 42 12.622 -1.067 -4.105 338 HE3 LYS 42 1HE LYS 42 11.811 -2.390 -3.267 339 HZ1 LYS 42 3HZ LYS 42 10.492 0.058 -4.316 340 HZ2 LYS 42 1HZ LYS 42 9.714 -1.205 -3.508 341 HZ3 LYS 42 2HZ LYS 42 10.420 -1.479 -5.015 342 H GLU 43 H GLU 43 8.479 0.931 0.902 343 HA GLU 43 HA GLU 43 6.972 2.609 -0.825 344 HB2 GLU 43 2HB GLU 43 5.729 0.813 -2.038 345 HB3 GLU 43 1HB GLU 43 7.411 0.968 -2.519 346 HG2 GLU 43 2HG GLU 43 7.889 -0.949 -0.915 347 HG3 GLU 43 1HG GLU 43 6.143 -1.183 -0.849 348 H ARG 44 H ARG 44 4.586 2.348 -0.492 349 HA ARG 44 HA ARG 44 4.112 1.524 2.304 350 HB2 ARG 44 2HB ARG 44 2.872 3.712 0.630 351 HB3 ARG 44 1HB ARG 44 2.216 3.212 2.185 352 HG2 ARG 44 2HG ARG 44 4.292 3.819 3.288 353 HG3 ARG 44 1HG ARG 44 5.014 4.250 1.740 354 HD2 ARG 44 2HD ARG 44 3.502 6.095 1.475 355 HD3 ARG 44 1HD ARG 44 2.558 5.589 2.878 356 HE ARG 44 HE ARG 44 4.342 6.272 4.288 357 HH11 ARG 44 1HH1 ARG 44 4.723 7.215 0.997 358 HH12 ARG 44 2HH1 ARG 44 6.024 8.295 1.345 359 HH21 ARG 44 1HH2 ARG 44 5.981 7.689 4.736 360 HH22 ARG 44 2HH2 ARG 44 6.714 8.590 3.451 361 H THR 45 H THR 45 2.699 -0.041 2.726 362 HA THR 45 HA THR 45 1.012 -1.078 0.532 363 HB THR 45 HB THR 45 1.989 -2.511 3.026 364 HG1 THR 45 HG1 THR 45 2.884 -2.557 0.317 365 HG21 THR 45 3HG2 THR 45 0.577 -3.564 0.560 366 HG22 THR 45 1HG2 THR 45 -0.120 -3.435 2.175 367 HG23 THR 45 2HG2 THR 45 1.217 -4.548 1.878 368 H TYR 46 H TYR 46 -1.123 -0.768 0.677 369 HA TYR 46 HA TYR 46 -2.362 -0.265 3.313 370 HB2 TYR 46 2HB TYR 46 -3.325 0.496 0.542 371 HB3 TYR 46 1HB TYR 46 -4.185 0.831 2.039 372 HD1 TYR 46 HD2 TYR 46 -1.274 1.724 -0.023 373 HD2 TYR 46 HD1 TYR 46 -3.468 2.610 3.518 374 HE1 TYR 46 HE2 TYR 46 -0.064 3.849 0.190 375 HE2 TYR 46 HE1 TYR 46 -2.264 4.742 3.729 376 HH TYR 46 HH TYR 46 0.023 5.656 2.937 377 H ASP 47 H ASP 47 -4.378 -1.216 3.833 378 HA ASP 47 HA ASP 47 -4.922 -3.764 2.483 379 HB2 ASP 47 2HB ASP 47 -5.517 -2.670 5.207 380 HB3 ASP 47 1HB ASP 47 -6.499 -3.986 4.574 381 H LEU 48 H LEU 48 -6.337 -3.676 0.872 382 HA LEU 48 HA LEU 48 -8.865 -2.189 1.278 383 HB2 LEU 48 2HB LEU 48 -7.657 -3.080 -1.349 384 HB3 LEU 48 1HB LEU 48 -9.098 -2.101 -1.141 385 HG LEU 48 HG LEU 48 -6.242 -1.293 -0.574 386 HD11 LEU 48 1HD1 LEU 48 -8.278 -0.233 -2.535 387 HD12 LEU 48 2HD1 LEU 48 -6.882 -1.235 -2.927 388 HD13 LEU 48 3HD1 LEU 48 -6.644 0.393 -2.294 389 HD21 LEU 48 3HD2 LEU 48 -8.769 0.279 -0.058 390 HD22 LEU 48 1HD2 LEU 48 -7.119 0.887 0.093 391 HD23 LEU 48 2HD2 LEU 48 -7.692 -0.385 1.170 392 H LYS 49 H LYS 49 -10.718 -3.357 1.403 393 HA LYS 49 HA LYS 49 -10.578 -6.230 0.696 394 HB2 LYS 49 2HB LYS 49 -12.031 -4.953 3.028 395 HB3 LYS 49 1HB LYS 49 -12.226 -6.628 2.546 396 HG2 LYS 49 2HG LYS 49 -10.745 -6.653 4.375 397 HG3 LYS 49 1HG LYS 49 -9.737 -6.909 2.951 398 HD2 LYS 49 2HD LYS 49 -8.945 -4.653 3.014 399 HD3 LYS 49 1HD LYS 49 -10.143 -4.202 4.226 400 HE2 LYS 49 2HE LYS 49 -7.979 -4.438 5.273 401 HE3 LYS 49 1HE LYS 49 -9.046 -5.717 5.835 402 HZ1 LYS 49 3HZ LYS 49 -7.964 -7.251 4.331 403 HZ2 LYS 49 1HZ LYS 49 -6.820 -6.530 5.345 404 HZ3 LYS 49 2HZ LYS 49 -6.960 -6.024 3.736 405 H SER 50 H SER 50 -12.359 -7.182 -0.276 406 HA SER 50 HA SER 50 -14.521 -5.369 -1.161 407 HB2 SER 50 2HB SER 50 -14.818 -6.911 -3.082 408 HB3 SER 50 1HB SER 50 -13.189 -6.236 -3.031 409 HG SER 50 HG SER 50 -12.388 -8.155 -2.400 410 H LYS 51 H LYS 51 -16.600 -5.857 -0.630 411 HA LYS 51 HA LYS 51 -17.025 -8.034 1.236 412 HB2 LYS 51 2HB LYS 51 -19.250 -7.056 1.591 413 HB3 LYS 51 1HB LYS 51 -17.975 -5.864 1.769 414 HG2 LYS 51 2HG LYS 51 -19.615 -4.718 0.610 415 HG3 LYS 51 1HG LYS 51 -18.511 -5.222 -0.668 416 HD2 LYS 51 2HD LYS 51 -19.992 -7.064 -1.259 417 HD3 LYS 51 1HD LYS 51 -21.061 -6.668 0.088 418 HE2 LYS 51 2HE LYS 51 -21.935 -5.846 -2.055 419 HE3 LYS 51 1HE LYS 51 -21.597 -4.530 -0.934 420 HZ1 LYS 51 3HZ LYS 51 -19.823 -5.384 -3.158 421 HZ2 LYS 51 1HZ LYS 51 -19.546 -4.089 -2.104 422 HZ3 LYS 51 2HZ LYS 51 -20.847 -4.037 -3.182 423 H GLY 52 H GLY 52 -19.154 -9.297 1.061 424 HA2 GLY 52 2HA GLY 52 -20.556 -10.737 -0.079 425 HA3 GLY 52 1HA GLY 52 -20.213 -9.839 -1.549 426 H GLN 53 H GLN 53 -18.135 -10.299 -2.624 427 HA GLN 53 HA GLN 53 -17.596 -13.062 -2.923 428 HB2 GLN 53 2HB GLN 53 -17.216 -11.387 -4.700 429 HB3 GLN 53 1HB GLN 53 -15.925 -10.670 -3.751 430 HG2 GLN 53 2HG GLN 53 -15.095 -12.091 -5.577 431 HG3 GLN 53 1HG GLN 53 -14.579 -12.657 -3.989 432 HE21 GLN 53 1HE2 GLN 53 -16.699 -13.290 -6.697 433 HE22 GLN 53 2HE2 GLN 53 -17.020 -14.941 -6.298 434 H GLY 54 H GLY 54 -16.204 -10.560 -0.909 435 HA2 GLY 54 2HA GLY 54 -14.970 -10.729 1.016 436 HA3 GLY 54 1HA GLY 54 -15.270 -12.456 0.972 437 H ARG 55 H ARG 55 -13.390 -10.223 -1.113 438 HA ARG 55 HA ARG 55 -11.027 -11.915 -0.571 439 HB2 ARG 55 2HB ARG 55 -11.735 -10.579 -3.197 440 HB3 ARG 55 1HB ARG 55 -10.252 -11.473 -2.878 441 HG2 ARG 55 2HG ARG 55 -11.650 -13.487 -2.399 442 HG3 ARG 55 1HG ARG 55 -13.062 -12.568 -2.915 443 HD2 ARG 55 2HD ARG 55 -12.009 -12.263 -5.134 444 HD3 ARG 55 1HD ARG 55 -10.652 -13.259 -4.604 445 HE ARG 55 HE ARG 55 -13.423 -14.266 -4.770 446 HH11 ARG 55 1HH1 ARG 55 -10.043 -14.680 -5.277 447 HH12 ARG 55 2HH1 ARG 55 -10.216 -16.298 -5.854 448 HH21 ARG 55 1HH2 ARG 55 -13.639 -16.319 -5.548 449 HH22 ARG 55 2HH2 ARG 55 -12.245 -17.207 -6.048 450 H MET 56 H MET 56 -9.152 -10.929 -0.068 451 HA MET 56 HA MET 56 -9.236 -7.995 0.246 452 HB2 MET 56 2HB MET 56 -7.583 -8.391 2.110 453 HB3 MET 56 1HB MET 56 -9.193 -9.028 2.395 454 HG2 MET 56 2HG MET 56 -8.383 -11.266 1.707 455 HG3 MET 56 1HG MET 56 -6.757 -10.596 1.573 456 HE1 MET 56 3HE MET 56 -7.684 -13.127 3.424 457 HE2 MET 56 1HE MET 56 -6.712 -12.822 4.862 458 HE3 MET 56 2HE MET 56 -6.007 -12.606 3.259 459 H ILE 57 H ILE 57 -7.515 -6.751 -0.391 460 HA ILE 57 HA ILE 57 -5.212 -8.081 -1.672 461 HB ILE 57 HB ILE 57 -5.291 -6.352 -3.483 462 HG12 ILE 57 2HG1 ILE 57 -8.050 -5.787 -2.343 463 HG13 ILE 57 1HG1 ILE 57 -6.684 -4.677 -2.322 464 HG21 ILE 57 1HG2 ILE 57 -7.731 -8.126 -3.326 465 HG22 ILE 57 2HG2 ILE 57 -6.122 -8.633 -3.842 466 HG23 ILE 57 3HG2 ILE 57 -7.022 -7.455 -4.795 467 HD11 ILE 57 3HD1 ILE 57 -8.100 -5.682 -4.786 468 HD12 ILE 57 1HD1 ILE 57 -6.738 -4.560 -4.757 469 HD13 ILE 57 2HD1 ILE 57 -8.282 -4.090 -4.049 470 H GLN 58 H GLN 58 -3.262 -7.155 -1.253 471 HA GLN 58 HA GLN 58 -3.210 -4.665 0.308 472 HB2 GLN 58 2HB GLN 58 -0.980 -6.627 -0.286 473 HB3 GLN 58 1HB GLN 58 -0.841 -5.207 0.735 474 HG2 GLN 58 2HG GLN 58 -1.092 -6.909 2.260 475 HG3 GLN 58 1HG GLN 58 -2.733 -6.277 2.115 476 HE21 GLN 58 1HE2 GLN 58 -0.608 -8.916 1.370 477 HE22 GLN 58 2HE2 GLN 58 -1.833 -10.051 0.949 478 H VAL 59 H VAL 59 -2.983 -2.823 -0.799 479 HA VAL 59 HA VAL 59 -1.699 -2.870 -3.432 480 HB VAL 59 HB VAL 59 -3.272 -0.662 -2.083 481 HG11 VAL 59 1HG1 VAL 59 -1.658 0.277 -3.638 482 HG12 VAL 59 2HG1 VAL 59 -3.282 0.401 -4.316 483 HG13 VAL 59 3HG1 VAL 59 -2.174 -0.844 -4.896 484 HG21 VAL 59 3HG2 VAL 59 -4.653 -2.598 -2.651 485 HG22 VAL 59 1HG2 VAL 59 -4.044 -2.564 -4.306 486 HG23 VAL 59 2HG2 VAL 59 -5.030 -1.232 -3.701 487 H SER 60 H SER 60 0.363 -2.312 -3.658 488 HA SER 60 HA SER 60 1.653 -0.699 -1.547 489 HB2 SER 60 2HB SER 60 2.882 -2.682 -3.483 490 HB3 SER 60 1HB SER 60 3.788 -1.723 -2.314 491 HG SER 60 HG SER 60 3.427 -3.649 -1.335 492 H ILE 61 H ILE 61 1.971 1.347 -2.076 493 HA ILE 61 HA ILE 61 2.585 2.072 -4.879 494 HB ILE 61 HB ILE 61 1.923 4.378 -4.257 495 HG12 ILE 61 2HG1 ILE 61 1.119 3.125 -1.612 496 HG13 ILE 61 1HG1 ILE 61 2.442 4.262 -1.849 497 HG21 ILE 61 1HG2 ILE 61 -0.487 3.983 -4.148 498 HG22 ILE 61 2HG2 ILE 61 -0.201 2.314 -3.660 499 HG23 ILE 61 3HG2 ILE 61 0.287 2.857 -5.264 500 HD11 ILE 61 3HD1 ILE 61 -0.494 4.818 -2.212 501 HD12 ILE 61 1HD1 ILE 61 0.803 5.960 -2.565 502 HD13 ILE 61 2HD1 ILE 61 0.550 5.396 -0.914 503 HA PRO 62 HA PRO 62 6.778 3.213 -4.008 504 HB2 PRO 62 2HB PRO 62 6.900 5.757 -5.159 505 HB3 PRO 62 1HB PRO 62 7.112 4.228 -6.016 506 HG2 PRO 62 2HG PRO 62 4.672 5.942 -5.773 507 HG3 PRO 62 1HG PRO 62 5.292 5.063 -7.184 508 HD2 PRO 62 2HD PRO 62 3.227 4.114 -5.781 509 HD3 PRO 62 1HD PRO 62 4.469 3.015 -6.425 510 H ALA 63 H ALA 63 8.050 4.332 -2.531 511 HA ALA 63 HA ALA 63 6.732 5.329 -0.246 512 HB1 ALA 63 3HB ALA 63 8.967 5.722 0.646 513 HB2 ALA 63 1HB ALA 63 9.655 5.508 -0.963 514 HB3 ALA 63 2HB ALA 63 8.868 4.153 -0.152 515 H SER 64 H SER 64 7.867 6.987 -3.059 516 HA SER 64 HA SER 64 8.205 9.574 -1.925 517 HB2 SER 64 2HB SER 64 9.115 8.961 -4.140 518 HB3 SER 64 1HB SER 64 7.476 8.839 -4.779 519 HG SER 64 HG SER 64 8.415 10.867 -5.242 520 H VAL 65 H VAL 65 5.408 7.726 -2.683 521 HA VAL 65 HA VAL 65 3.607 10.009 -2.798 522 HB VAL 65 HB VAL 65 2.914 7.060 -2.670 523 HG11 VAL 65 1HG1 VAL 65 0.762 7.763 -3.621 524 HG12 VAL 65 2HG1 VAL 65 1.280 9.448 -3.552 525 HG13 VAL 65 3HG1 VAL 65 1.057 8.533 -2.060 526 HG21 VAL 65 3HG2 VAL 65 3.286 8.847 -5.083 527 HG22 VAL 65 1HG2 VAL 65 2.656 7.200 -5.121 528 HG23 VAL 65 2HG2 VAL 65 4.318 7.496 -4.612 529 HA PRO 66 HA PRO 66 3.285 10.192 1.645 530 HB2 PRO 66 2HB PRO 66 1.131 11.856 1.827 531 HB3 PRO 66 1HB PRO 66 2.753 12.412 1.394 532 HG2 PRO 66 2HG PRO 66 0.442 11.754 -0.402 533 HG3 PRO 66 1HG PRO 66 1.532 13.152 -0.457 534 HD2 PRO 66 2HD PRO 66 1.853 11.046 -2.104 535 HD3 PRO 66 1HD PRO 66 3.246 11.933 -1.449 536 H LEU 67 H LEU 67 1.420 10.130 3.345 537 HA LEU 67 HA LEU 67 0.204 7.531 3.049 538 HB2 LEU 67 2HB LEU 67 1.330 8.233 5.127 539 HB3 LEU 67 1HB LEU 67 0.135 9.496 5.347 540 HG LEU 67 HG LEU 67 -1.625 7.742 5.575 541 HD11 LEU 67 1HD1 LEU 67 0.720 5.842 5.544 542 HD12 LEU 67 2HD1 LEU 67 -0.528 5.973 4.304 543 HD13 LEU 67 3HD1 LEU 67 -0.953 5.423 5.924 544 HD21 LEU 67 3HD2 LEU 67 -0.980 7.025 7.823 545 HD22 LEU 67 1HD2 LEU 67 -0.579 8.722 7.559 546 HD23 LEU 67 2HD2 LEU 67 0.689 7.497 7.505 547 H LYS 68 H LYS 68 -1.844 7.120 2.435 548 HA LYS 68 HA LYS 68 -3.754 9.257 2.066 549 HB2 LYS 68 2HB LYS 68 -3.857 6.290 1.581 550 HB3 LYS 68 1HB LYS 68 -5.298 7.290 1.459 551 HG2 LYS 68 2HG LYS 68 -4.383 6.954 -0.728 552 HG3 LYS 68 1HG LYS 68 -4.181 8.646 -0.275 553 HD2 LYS 68 2HD LYS 68 -1.843 8.281 0.217 554 HD3 LYS 68 1HD LYS 68 -2.021 6.543 -0.057 555 HE2 LYS 68 2HE LYS 68 -1.002 7.654 -1.991 556 HE3 LYS 68 1HE LYS 68 -2.560 6.948 -2.399 557 HZ1 LYS 68 3HZ LYS 68 -3.568 9.119 -2.263 558 HZ2 LYS 68 1HZ LYS 68 -2.264 9.170 -3.337 559 HZ3 LYS 68 2HZ LYS 68 -2.107 9.814 -1.785 560 H GLU 69 H GLU 69 -5.137 9.975 3.522 561 HA GLU 69 HA GLU 69 -5.714 8.360 5.908 562 HB2 GLU 69 2HB GLU 69 -6.163 11.297 5.363 563 HB3 GLU 69 1HB GLU 69 -6.465 10.490 6.898 564 HG2 GLU 69 2HG GLU 69 -4.113 10.034 7.170 565 HG3 GLU 69 1HG GLU 69 -3.765 10.678 5.566 566 H PHE 70 H PHE 70 -7.200 7.017 4.603 567 HA PHE 70 HA PHE 70 -9.702 8.275 3.779 568 HB2 PHE 70 2HB PHE 70 -8.780 5.398 3.631 569 HB3 PHE 70 1HB PHE 70 -10.318 5.987 3.005 570 HD1 PHE 70 HD2 PHE 70 -9.568 8.497 1.713 571 HD2 PHE 70 HD1 PHE 70 -7.537 4.751 1.781 572 HE1 PHE 70 HE2 PHE 70 -8.503 9.041 -0.434 573 HE2 PHE 70 HE1 PHE 70 -6.471 5.294 -0.369 574 HZ PHE 70 HZ PHE 70 -6.954 7.437 -1.481 575 H ASP 71 H ASP 71 -11.627 6.465 4.291 576 HA ASP 71 HA ASP 71 -11.766 6.368 7.241 577 HB2 ASP 71 2HB ASP 71 -13.221 8.101 6.296 578 HB3 ASP 71 1HB ASP 71 -13.986 6.911 5.250 579 H TYR 72 H TYR 72 -13.269 4.706 8.119 580 HA TYR 72 HA TYR 72 -12.653 2.141 7.129 581 HB2 TYR 72 2HB TYR 72 -13.161 2.638 9.504 582 HB3 TYR 72 1HB TYR 72 -14.844 2.917 9.075 583 HD1 TYR 72 HD1 TYR 72 -12.448 0.204 8.085 584 HD2 TYR 72 HD2 TYR 72 -16.101 1.215 10.028 585 HE1 TYR 72 HE1 TYR 72 -12.916 -2.185 8.443 586 HE2 TYR 72 HE2 TYR 72 -16.577 -1.166 10.392 587 HH TYR 72 HH TYR 72 -15.975 -3.330 9.461 588 H ASN 73 H ASN 73 -13.540 0.955 5.574 589 HA ASN 73 HA ASN 73 -14.921 0.161 3.978 590 HB2 ASN 73 2HB ASN 73 -16.996 1.325 5.800 591 HB3 ASN 73 1HB ASN 73 -17.458 0.697 4.220 592 HD21 ASN 73 1HD2 ASN 73 -16.466 -0.088 7.405 593 HD22 ASN 73 2HD2 ASN 73 -16.589 -1.803 7.244 594 H ALA 74 H ALA 74 -13.911 3.122 4.030 595 HA ALA 74 HA ALA 74 -15.653 4.520 2.250 596 HB1 ALA 74 3HB ALA 74 -14.001 5.681 3.658 597 HB2 ALA 74 1HB ALA 74 -13.807 6.084 1.952 598 HB3 ALA 74 2HB ALA 74 -12.695 4.950 2.722 599 H ARG 75 H ARG 75 -15.950 4.208 0.125 600 HA ARG 75 HA ARG 75 -14.619 2.207 -1.347 601 HB2 ARG 75 2HB ARG 75 -16.393 4.494 -2.194 602 HB3 ARG 75 1HB ARG 75 -15.732 3.343 -3.349 603 HG2 ARG 75 2HG ARG 75 -16.858 1.512 -2.168 604 HG3 ARG 75 1HG ARG 75 -17.535 2.670 -1.021 605 HD2 ARG 75 2HD ARG 75 -18.802 3.743 -2.764 606 HD3 ARG 75 1HD ARG 75 -18.009 2.767 -4.001 607 HE ARG 75 HE ARG 75 -19.286 1.068 -2.164 608 HH11 ARG 75 1HH1 ARG 75 -20.094 3.357 -4.607 609 HH12 ARG 75 2HH1 ARG 75 -21.567 2.546 -5.014 610 HH21 ARG 75 1HH2 ARG 75 -21.150 0.041 -2.715 611 HH22 ARG 75 2HH2 ARG 75 -22.150 0.686 -3.975 612 H VAL 76 H VAL 76 -12.693 2.204 -2.288 613 HA VAL 76 HA VAL 76 -11.503 4.758 -3.170 614 HB VAL 76 HB VAL 76 -9.272 3.849 -2.578 615 HG11 VAL 76 1HG1 VAL 76 -10.393 5.351 -1.023 616 HG12 VAL 76 2HG1 VAL 76 -9.472 4.134 -0.139 617 HG13 VAL 76 3HG1 VAL 76 -11.225 3.987 -0.272 618 HG21 VAL 76 3HG2 VAL 76 -10.851 1.624 -1.270 619 HG22 VAL 76 1HG2 VAL 76 -9.117 1.892 -1.090 620 HG23 VAL 76 2HG2 VAL 76 -9.783 1.465 -2.665 621 H GLU 77 H GLU 77 -10.522 4.772 -5.151 622 HA GLU 77 HA GLU 77 -10.393 2.216 -6.621 623 HB2 GLU 77 2HB GLU 77 -10.930 3.419 -8.684 624 HB3 GLU 77 1HB GLU 77 -12.214 3.590 -7.496 625 HG2 GLU 77 2HG GLU 77 -11.455 5.838 -6.962 626 HG3 GLU 77 1HG GLU 77 -10.108 5.670 -8.088 627 H LEU 78 H LEU 78 -8.732 2.005 -8.188 628 HA LEU 78 HA LEU 78 -6.320 3.525 -7.471 629 HB2 LEU 78 2HB LEU 78 -6.601 0.881 -8.915 630 HB3 LEU 78 1HB LEU 78 -5.085 1.636 -8.454 631 HG LEU 78 HG LEU 78 -7.199 0.638 -6.528 632 HD11 LEU 78 1HD1 LEU 78 -4.479 -0.502 -7.180 633 HD12 LEU 78 2HD1 LEU 78 -6.029 -1.191 -7.666 634 HD13 LEU 78 3HD1 LEU 78 -5.599 -1.108 -5.958 635 HD21 LEU 78 3HD2 LEU 78 -6.015 2.558 -5.627 636 HD22 LEU 78 1HD2 LEU 78 -4.462 1.819 -6.020 637 HD23 LEU 78 2HD2 LEU 78 -5.505 1.088 -4.798 638 H ILE 79 H ILE 79 -5.028 4.521 -9.006 639 HA ILE 79 HA ILE 79 -6.259 5.262 -11.493 640 HB ILE 79 HB ILE 79 -3.543 5.861 -10.307 641 HG12 ILE 79 2HG1 ILE 79 -4.440 8.205 -10.316 642 HG13 ILE 79 1HG1 ILE 79 -5.979 7.579 -10.894 643 HG21 ILE 79 1HG2 ILE 79 -3.231 5.712 -12.714 644 HG22 ILE 79 2HG2 ILE 79 -3.154 7.398 -12.200 645 HG23 ILE 79 3HG2 ILE 79 -4.608 6.779 -12.984 646 HD11 ILE 79 3HD1 ILE 79 -6.225 6.298 -8.826 647 HD12 ILE 79 1HD1 ILE 79 -6.042 8.024 -8.513 648 HD13 ILE 79 2HD1 ILE 79 -4.681 6.932 -8.255 649 H ASN 80 H ASN 80 -2.981 3.862 -11.036 650 HA ASN 80 HA ASN 80 -3.527 2.055 -13.311 651 HB2 ASN 80 2HB ASN 80 -0.957 3.508 -12.647 652 HB3 ASN 80 1HB ASN 80 -1.066 2.211 -13.834 653 HD21 ASN 80 1HD2 ASN 80 -0.328 5.015 -14.196 654 HD22 ASN 80 2HD2 ASN 80 -1.435 5.643 -15.366 655 HA PRO 81 HA PRO 81 -2.288 -0.747 -9.864 656 HB2 PRO 81 2HB PRO 81 -4.280 -2.511 -10.112 657 HB3 PRO 81 1HB PRO 81 -4.534 -0.954 -9.316 658 HG2 PRO 81 2HG PRO 81 -5.240 -1.786 -12.109 659 HG3 PRO 81 1HG PRO 81 -6.206 -0.864 -10.941 660 HD2 PRO 81 2HD PRO 81 -4.738 0.272 -12.979 661 HD3 PRO 81 1HD PRO 81 -5.182 1.114 -11.481 662 H ILE 82 H ILE 82 -1.129 -2.660 -10.028 663 HA ILE 82 HA ILE 82 -1.455 -4.339 -12.410 664 HB ILE 82 HB ILE 82 0.999 -4.722 -12.572 665 HG12 ILE 82 2HG1 ILE 82 1.222 -2.315 -10.738 666 HG13 ILE 82 1HG1 ILE 82 1.617 -3.970 -10.295 667 HG21 ILE 82 1HG2 ILE 82 -0.107 -3.219 -14.132 668 HG22 ILE 82 2HG2 ILE 82 1.530 -2.665 -13.784 669 HG23 ILE 82 3HG2 ILE 82 0.150 -1.864 -13.033 670 HD11 ILE 82 3HD1 ILE 82 3.611 -2.686 -10.787 671 HD12 ILE 82 1HD1 ILE 82 3.007 -2.332 -12.404 672 HD13 ILE 82 2HD1 ILE 82 3.404 -3.992 -11.954 673 H ALA 83 H ALA 83 -1.519 -6.469 -11.935 674 HA ALA 83 HA ALA 83 -1.388 -7.316 -9.178 675 HB1 ALA 83 3HB ALA 83 -2.130 -9.482 -10.018 676 HB2 ALA 83 1HB ALA 83 -1.860 -8.948 -11.679 677 HB3 ALA 83 2HB ALA 83 -3.111 -8.185 -10.699 678 H ASP 84 H ASP 84 0.367 -8.174 -8.160 679 HA ASP 84 HA ASP 84 2.802 -8.532 -9.699 680 HB2 ASP 84 2HB ASP 84 2.743 -7.397 -7.443 681 HB3 ASP 84 1HB ASP 84 2.430 -8.977 -6.726 682 H THR 85 H THR 85 3.408 -10.394 -10.561 683 HA THR 85 HA THR 85 2.423 -12.932 -9.406 684 HB THR 85 HB THR 85 2.834 -13.933 -11.636 685 HG1 THR 85 HG1 THR 85 3.772 -12.807 -13.190 686 HG21 THR 85 3HG2 THR 85 0.977 -12.832 -12.824 687 HG22 THR 85 1HG2 THR 85 1.065 -11.475 -11.700 688 HG23 THR 85 2HG2 THR 85 0.598 -13.075 -11.119 689 H VAL 86 H VAL 86 5.111 -11.059 -9.380 690 HA VAL 86 HA VAL 86 7.061 -13.177 -9.922 691 HB VAL 86 HB VAL 86 8.788 -11.468 -9.717 692 HG11 VAL 86 1HG1 VAL 86 7.722 -11.778 -11.885 693 HG12 VAL 86 2HG1 VAL 86 8.179 -10.092 -11.652 694 HG13 VAL 86 3HG1 VAL 86 6.494 -10.582 -11.471 695 HG21 VAL 86 3HG2 VAL 86 8.226 -9.106 -9.379 696 HG22 VAL 86 1HG2 VAL 86 7.774 -10.079 -7.976 697 HG23 VAL 86 2HG2 VAL 86 6.537 -9.541 -9.113 698 H ALA 87 H ALA 87 5.464 -11.791 -7.241 699 HA ALA 87 HA ALA 87 7.413 -12.309 -5.231 700 HB1 ALA 87 3HB ALA 87 4.408 -12.211 -4.947 701 HB2 ALA 87 1HB ALA 87 5.485 -10.812 -4.902 702 HB3 ALA 87 2HB ALA 87 5.595 -12.051 -3.649 703 H THR 88 H THR 88 5.842 -14.457 -7.200 704 HA THR 88 HA THR 88 5.287 -16.607 -5.378 705 HB THR 88 HB THR 88 5.095 -17.974 -7.492 706 HG1 THR 88 HG1 THR 88 4.992 -15.989 -9.265 707 HG21 THR 88 3HG2 THR 88 3.546 -15.374 -7.474 708 HG22 THR 88 1HG2 THR 88 3.147 -16.815 -6.536 709 HG23 THR 88 2HG2 THR 88 3.073 -16.860 -8.298 710 H ALA 89 H ALA 89 7.857 -15.828 -4.781 711 HA ALA 89 HA ALA 89 9.395 -18.208 -5.516 712 HB1 ALA 89 3HB ALA 89 10.045 -16.480 -7.147 713 HB2 ALA 89 1HB ALA 89 11.384 -16.948 -6.098 714 HB3 ALA 89 2HB ALA 89 10.535 -15.428 -5.819 715 H THR 90 H THR 90 9.574 -19.062 -3.515 716 HA THR 90 HA THR 90 10.463 -19.434 -1.449 717 HB THR 90 HB THR 90 11.790 -16.721 -1.726 718 HG1 THR 90 HG1 THR 90 12.364 -19.188 -2.752 719 HG21 THR 90 3HG2 THR 90 12.310 -18.954 0.253 720 HG22 THR 90 1HG2 THR 90 11.615 -17.374 0.623 721 HG23 THR 90 2HG2 THR 90 13.286 -17.495 0.074 722 H TYR 91 H TYR 91 9.186 -16.128 -1.813 723 HA TYR 91 HA TYR 91 8.807 -15.516 0.867 724 HB2 TYR 91 2HB TYR 91 7.073 -14.593 -1.435 725 HB3 TYR 91 1HB TYR 91 7.276 -13.783 0.114 726 HD1 TYR 91 HD1 TYR 91 10.120 -13.708 0.571 727 HD2 TYR 91 HD2 TYR 91 8.006 -13.290 -3.106 728 HE1 TYR 91 HE1 TYR 91 11.989 -12.404 -0.352 729 HE2 TYR 91 HE2 TYR 91 9.874 -11.991 -4.035 730 HH TYR 91 HH TYR 91 11.746 -10.578 -3.165 731 H GLN 92 H GLN 92 6.456 -17.049 -1.359 732 HA GLN 92 HA GLN 92 4.978 -18.047 0.962 733 HB2 GLN 92 2HB GLN 92 4.063 -15.771 0.179 734 HB3 GLN 92 1HB GLN 92 3.507 -16.620 -1.255 735 HG2 GLN 92 2HG GLN 92 1.681 -16.457 0.265 736 HG3 GLN 92 1HG GLN 92 2.202 -18.143 0.223 737 HE21 GLN 92 1HE2 GLN 92 3.147 -19.040 2.056 738 HE22 GLN 92 2HE2 GLN 92 3.118 -18.258 3.594 739 H GLY 93 H GLY 93 4.332 -20.115 0.646 740 HA2 GLY 93 2HA GLY 93 4.436 -21.238 -2.072 741 HA3 GLY 93 1HA GLY 93 4.428 -22.152 -0.574 742 H ALA 94 H ALA 94 2.151 -20.769 0.582 743 HA ALA 94 HA ALA 94 0.018 -22.124 -0.895 744 HB1 ALA 94 3HB ALA 94 -1.317 -21.829 1.118 745 HB2 ALA 94 1HB ALA 94 -0.047 -20.836 1.838 746 HB3 ALA 94 2HB ALA 94 0.246 -22.545 1.513 747 H ASP 95 H ASP 95 -1.973 -21.099 -1.433 748 HA ASP 95 HA ASP 95 -1.684 -18.418 -2.400 749 HB2 ASP 95 2HB ASP 95 -4.066 -20.287 -2.410 750 HB3 ASP 95 1HB ASP 95 -3.999 -18.743 -3.258 751 H VAL 96 H VAL 96 -1.665 -16.835 -0.890 752 HA VAL 96 HA VAL 96 -3.913 -16.700 1.039 753 HB VAL 96 HB VAL 96 -2.432 -15.467 2.566 754 HG11 VAL 96 1HG1 VAL 96 -2.618 -17.878 2.836 755 HG12 VAL 96 2HG1 VAL 96 -0.986 -17.345 3.240 756 HG13 VAL 96 3HG1 VAL 96 -1.301 -18.132 1.692 757 HG21 VAL 96 3HG2 VAL 96 -0.920 -14.452 0.944 758 HG22 VAL 96 1HG2 VAL 96 -0.263 -16.035 0.528 759 HG23 VAL 96 2HG2 VAL 96 -0.001 -15.365 2.140 760 H ASP 97 H ASP 97 -3.403 -14.064 1.952 761 HA ASP 97 HA ASP 97 -4.650 -12.479 -0.006 762 HB2 ASP 97 2HB ASP 97 -3.946 -10.544 1.529 763 HB3 ASP 97 1HB ASP 97 -4.984 -11.786 2.213 764 H TRP 98 H TRP 98 -3.876 -11.557 -1.774 765 HA TRP 98 HA TRP 98 -0.977 -11.593 -2.210 766 HB2 TRP 98 2HB TRP 98 -1.551 -11.528 -4.625 767 HB3 TRP 98 1HB TRP 98 -2.239 -12.910 -3.785 768 HD1 TRP 98 HD1 TRP 98 -4.969 -12.409 -2.979 769 HE1 TRP 98 HE1 TRP 98 -6.827 -11.432 -4.465 770 HE3 TRP 98 HE3 TRP 98 -2.070 -10.141 -6.527 771 HZ2 TRP 98 HZ2 TRP 98 -7.042 -9.906 -6.829 772 HZ3 TRP 98 HZ3 TRP 98 -3.179 -8.947 -8.370 773 HH2 TRP 98 HH2 TRP 98 -5.615 -8.834 -8.518 774 H TYR 99 H TYR 99 -0.262 -9.918 -3.983 775 HA TYR 99 HA TYR 99 -0.958 -7.287 -2.837 776 HB2 TYR 99 2HB TYR 99 1.693 -8.294 -3.892 777 HB3 TYR 99 1HB TYR 99 1.390 -6.634 -3.393 778 HD1 TYR 99 HD1 TYR 99 1.534 -10.140 -2.163 779 HD2 TYR 99 HD2 TYR 99 1.486 -6.011 -1.114 780 HE1 TYR 99 HE1 TYR 99 2.120 -10.726 0.151 781 HE2 TYR 99 HE2 TYR 99 2.067 -6.591 1.203 782 HH TYR 99 HH TYR 99 3.164 -9.679 2.096 783 H ILE 100 H ILE 100 -1.369 -5.584 -4.094 784 HA ILE 100 HA ILE 100 -0.964 -5.789 -7.013 785 HB ILE 100 HB ILE 100 -3.180 -4.281 -5.593 786 HG12 ILE 100 2HG1 ILE 100 -3.287 -6.797 -7.283 787 HG13 ILE 100 1HG1 ILE 100 -3.538 -6.711 -5.543 788 HG21 ILE 100 1HG2 ILE 100 -2.638 -4.655 -8.547 789 HG22 ILE 100 2HG2 ILE 100 -2.456 -3.153 -7.639 790 HG23 ILE 100 3HG2 ILE 100 -4.056 -3.864 -7.857 791 HD11 ILE 100 3HD1 ILE 100 -5.530 -5.336 -5.908 792 HD12 ILE 100 1HD1 ILE 100 -5.647 -6.900 -6.714 793 HD13 ILE 100 2HD1 ILE 100 -5.283 -5.451 -7.650 794 H LYS 101 H LYS 101 0.678 -4.468 -7.565 795 HA LYS 101 HA LYS 101 1.326 -2.122 -5.968 796 HB2 LYS 101 2HB LYS 101 2.613 -3.246 -8.475 797 HB3 LYS 101 1HB LYS 101 3.250 -1.910 -7.519 798 HG2 LYS 101 2HG LYS 101 3.622 -3.341 -5.631 799 HG3 LYS 101 1HG LYS 101 2.781 -4.678 -6.415 800 HD2 LYS 101 2HD LYS 101 5.208 -4.984 -6.504 801 HD3 LYS 101 1HD LYS 101 4.534 -4.795 -8.121 802 HE2 LYS 101 2HE LYS 101 5.273 -2.492 -8.203 803 HE3 LYS 101 1HE LYS 101 5.832 -2.580 -6.533 804 HZ1 LYS 101 3HZ LYS 101 7.534 -4.081 -7.138 805 HZ2 LYS 101 1HZ LYS 101 7.595 -2.823 -8.263 806 HZ3 LYS 101 2HZ LYS 101 6.906 -4.306 -8.694 807 H ALA 102 H ALA 102 1.018 0.025 -6.587 808 HA ALA 102 HA ALA 102 -0.347 0.499 -9.148 809 HB1 ALA 102 3HB ALA 102 -2.208 1.654 -8.085 810 HB2 ALA 102 1HB ALA 102 -1.554 1.267 -6.492 811 HB3 ALA 102 2HB ALA 102 -2.119 -0.026 -7.553 812 H ASP 103 H ASP 103 -0.706 2.765 -9.640 813 HA ASP 103 HA ASP 103 1.550 4.414 -9.082 814 HB2 ASP 103 2HB ASP 103 0.343 4.448 -11.241 815 HB3 ASP 103 1HB ASP 103 -1.079 5.102 -10.432 816 H ASP 104 H ASP 104 -1.912 5.158 -8.537 817 HA ASP 104 HA ASP 104 -1.263 6.273 -5.913 818 HB2 ASP 104 2HB ASP 104 -1.146 8.157 -7.486 819 HB3 ASP 104 1HB ASP 104 -2.770 7.790 -8.060 820 H ILE 105 H ILE 105 -3.213 6.782 -4.625 821 HA ILE 105 HA ILE 105 -5.491 4.996 -5.253 822 HB ILE 105 HB ILE 105 -4.343 5.448 -2.486 823 HG12 ILE 105 2HG1 ILE 105 -4.004 3.038 -4.298 824 HG13 ILE 105 1HG1 ILE 105 -2.741 4.188 -3.877 825 HG21 ILE 105 1HG2 ILE 105 -6.727 4.914 -2.546 826 HG22 ILE 105 2HG2 ILE 105 -5.795 3.599 -1.834 827 HG23 ILE 105 3HG2 ILE 105 -6.387 3.464 -3.491 828 HD11 ILE 105 3HD1 ILE 105 -2.539 2.143 -2.586 829 HD12 ILE 105 1HD1 ILE 105 -4.170 2.366 -1.953 830 HD13 ILE 105 2HD1 ILE 105 -2.899 3.517 -1.539 831 H VAL 106 H VAL 106 -7.380 6.105 -5.324 832 HA VAL 106 HA VAL 106 -7.730 8.445 -3.550 833 HB VAL 106 HB VAL 106 -8.986 9.621 -5.317 834 HG11 VAL 106 1HG1 VAL 106 -6.610 10.122 -5.001 835 HG12 VAL 106 2HG1 VAL 106 -7.082 10.300 -6.691 836 HG13 VAL 106 3HG1 VAL 106 -6.185 8.873 -6.172 837 HG21 VAL 106 3HG2 VAL 106 -8.866 8.855 -7.652 838 HG22 VAL 106 1HG2 VAL 106 -9.723 7.701 -6.630 839 HG23 VAL 106 2HG2 VAL 106 -8.060 7.377 -7.123 840 H LEU 107 H LEU 107 -10.145 9.115 -3.494 841 HA LEU 107 HA LEU 107 -11.708 6.810 -2.757 842 HB2 LEU 107 2HB LEU 107 -12.365 9.758 -2.851 843 HB3 LEU 107 1HB LEU 107 -13.501 8.538 -2.309 844 HG LEU 107 HG LEU 107 -10.827 9.101 -1.006 845 HD11 LEU 107 1HD1 LEU 107 -13.612 9.889 -0.139 846 HD12 LEU 107 2HD1 LEU 107 -12.341 10.977 -0.696 847 HD13 LEU 107 3HD1 LEU 107 -12.142 10.091 0.815 848 HD21 LEU 107 3HD2 LEU 107 -11.529 6.795 -0.704 849 HD22 LEU 107 1HD2 LEU 107 -13.125 7.324 -0.167 850 HD23 LEU 107 2HD2 LEU 107 -11.699 7.682 0.809 851 H THR 108 H THR 108 -13.355 5.842 -3.845 852 HA THR 108 HA THR 108 -13.588 6.180 -6.651 853 HB THR 108 HB THR 108 -15.627 4.735 -4.942 854 HG1 THR 108 HG1 THR 108 -13.263 3.548 -5.979 855 HG21 THR 108 3HG2 THR 108 -14.599 4.229 -7.745 856 HG22 THR 108 1HG2 THR 108 -16.150 4.963 -7.337 857 HG23 THR 108 2HG2 THR 108 -15.830 3.282 -6.906 858 H LEU 109 H LEU 109 -15.014 7.304 -7.880 859 HA LEU 109 HA LEU 109 -16.604 9.353 -6.635 860 HB2 LEU 109 2HB LEU 109 -16.401 8.546 -9.542 861 HB3 LEU 109 1HB LEU 109 -17.163 10.010 -8.947 862 HG LEU 109 HG LEU 109 -14.222 9.328 -8.721 863 HD11 LEU 109 1HD1 LEU 109 -14.872 9.887 -10.998 864 HD12 LEU 109 2HD1 LEU 109 -13.906 11.180 -10.291 865 HD13 LEU 109 3HD1 LEU 109 -15.655 11.364 -10.433 866 HD21 LEU 109 3HD2 LEU 109 -14.936 10.625 -6.803 867 HD22 LEU 109 1HD2 LEU 109 -15.737 11.794 -7.853 868 HD23 LEU 109 2HD2 LEU 109 -13.980 11.637 -7.886 869 H GLU 110 H GLU 110 -17.298 6.222 -6.847 870 HA GLU 110 HA GLU 110 -20.036 6.399 -7.839 871 HB2 GLU 110 2HB GLU 110 -18.369 4.040 -6.933 872 HB3 GLU 110 1HB GLU 110 -20.027 3.915 -7.504 873 HG2 GLU 110 2HG GLU 110 -17.735 5.006 -9.134 874 HG3 GLU 110 1HG GLU 110 -18.338 3.350 -9.225 Start of MODEL 7 1 H1 MET 1 1H MET 1 -16.344 -25.782 -6.765 2 H2 MET 1 2H MET 1 -16.680 -26.799 -8.071 3 H3 MET 1 3H MET 1 -15.121 -26.187 -7.859 4 HA MET 1 HA MET 1 -14.856 -27.413 -5.821 5 HB2 MET 1 2HB MET 1 -16.543 -29.002 -5.077 6 HB3 MET 1 1HB MET 1 -17.230 -27.387 -5.167 7 HG2 MET 1 2HG MET 1 -18.319 -27.939 -7.272 8 HG3 MET 1 1HG MET 1 -17.594 -29.546 -7.242 9 HE1 MET 1 3HE MET 1 -19.146 -27.437 -4.280 10 HE2 MET 1 1HE MET 1 -20.795 -28.064 -4.259 11 HE3 MET 1 2HE MET 1 -20.226 -27.128 -5.640 12 H MET 2 H MET 2 -15.316 -27.897 -9.091 13 HA MET 2 HA MET 2 -14.246 -30.657 -8.978 14 HB2 MET 2 2HB MET 2 -15.715 -29.253 -11.225 15 HB3 MET 2 1HB MET 2 -15.033 -30.871 -11.332 16 HG2 MET 2 2HG MET 2 -17.244 -29.990 -9.482 17 HG3 MET 2 1HG MET 2 -17.425 -30.966 -10.940 18 HE1 MET 2 3HE MET 2 -18.181 -33.611 -8.184 19 HE2 MET 2 1HE MET 2 -18.707 -32.911 -9.716 20 HE3 MET 2 2HE MET 2 -18.689 -31.924 -8.254 21 H ARG 3 H ARG 3 -12.933 -31.102 -11.163 22 HA ARG 3 HA ARG 3 -10.759 -29.141 -11.165 23 HB2 ARG 3 2HB ARG 3 -10.183 -31.504 -10.819 24 HB3 ARG 3 1HB ARG 3 -10.898 -31.916 -12.372 25 HG2 ARG 3 2HG ARG 3 -9.214 -30.560 -13.518 26 HG3 ARG 3 1HG ARG 3 -8.509 -30.116 -11.963 27 HD2 ARG 3 2HD ARG 3 -8.686 -32.915 -13.091 28 HD3 ARG 3 1HD ARG 3 -7.238 -31.908 -13.049 29 HE ARG 3 HE ARG 3 -8.618 -32.801 -10.598 30 HH11 ARG 3 1HH1 ARG 3 -5.740 -32.272 -12.412 31 HH12 ARG 3 2HH1 ARG 3 -4.710 -32.870 -11.157 32 HH21 ARG 3 1HH2 ARG 3 -7.284 -33.546 -8.987 33 HH22 ARG 3 2HH2 ARG 3 -5.572 -33.556 -9.236 34 H LEU 4 H LEU 4 -11.360 -27.474 -12.488 35 HA LEU 4 HA LEU 4 -11.827 -28.119 -15.339 36 HB2 LEU 4 2HB LEU 4 -12.884 -25.782 -13.732 37 HB3 LEU 4 1HB LEU 4 -12.979 -25.885 -15.477 38 HG LEU 4 HG LEU 4 -15.109 -26.490 -14.674 39 HD11 LEU 4 1HD1 LEU 4 -14.295 -27.916 -16.470 40 HD12 LEU 4 2HD1 LEU 4 -15.401 -28.784 -15.407 41 HD13 LEU 4 3HD1 LEU 4 -13.663 -29.063 -15.286 42 HD21 LEU 4 3HD2 LEU 4 -14.526 -26.885 -12.340 43 HD22 LEU 4 1HD2 LEU 4 -13.790 -28.428 -12.778 44 HD23 LEU 4 2HD2 LEU 4 -15.526 -28.190 -12.981 45 H ALA 5 H ALA 5 -11.243 -26.111 -16.760 46 HA ALA 5 HA ALA 5 -8.804 -24.794 -15.767 47 HB1 ALA 5 3HB ALA 5 -8.123 -26.817 -16.995 48 HB2 ALA 5 1HB ALA 5 -7.581 -25.337 -17.789 49 HB3 ALA 5 2HB ALA 5 -8.972 -26.218 -18.423 50 H ASN 6 H ASN 6 -10.559 -24.980 -18.883 51 HA ASN 6 HA ASN 6 -11.297 -22.180 -18.747 52 HB2 ASN 6 2HB ASN 6 -10.078 -21.556 -20.819 53 HB3 ASN 6 1HB ASN 6 -8.990 -21.972 -19.499 54 HD21 ASN 6 1HD2 ASN 6 -7.798 -23.874 -19.625 55 HD22 ASN 6 2HD2 ASN 6 -7.623 -24.761 -21.097 56 H GLY 7 H GLY 7 -12.279 -21.504 -21.003 57 HA2 GLY 7 2HA GLY 7 -13.598 -22.002 -22.867 58 HA3 GLY 7 1HA GLY 7 -13.421 -23.716 -22.520 59 H ILE 8 H ILE 8 -14.296 -23.337 -19.713 60 HA ILE 8 HA ILE 8 -17.139 -23.577 -20.147 61 HB ILE 8 HB ILE 8 -17.274 -24.135 -17.779 62 HG12 ILE 8 2HG1 ILE 8 -14.306 -23.531 -17.622 63 HG13 ILE 8 1HG1 ILE 8 -15.563 -22.445 -17.038 64 HG21 ILE 8 1HG2 ILE 8 -16.591 -25.896 -19.335 65 HG22 ILE 8 2HG2 ILE 8 -15.839 -26.121 -17.757 66 HG23 ILE 8 3HG2 ILE 8 -14.898 -25.462 -19.095 67 HD11 ILE 8 3HD1 ILE 8 -14.579 -23.711 -15.228 68 HD12 ILE 8 1HD1 ILE 8 -15.016 -25.223 -16.025 69 HD13 ILE 8 2HD1 ILE 8 -16.277 -24.136 -15.438 70 H VAL 9 H VAL 9 -18.554 -22.537 -18.268 71 HA VAL 9 HA VAL 9 -18.348 -19.688 -18.475 72 HB VAL 9 HB VAL 9 -20.551 -20.658 -18.369 73 HG11 VAL 9 1HG1 VAL 9 -21.428 -21.779 -16.376 74 HG12 VAL 9 2HG1 VAL 9 -19.842 -21.678 -15.615 75 HG13 VAL 9 3HG1 VAL 9 -20.062 -22.658 -17.062 76 HG21 VAL 9 3HG2 VAL 9 -19.973 -19.088 -15.850 77 HG22 VAL 9 1HG2 VAL 9 -21.563 -19.312 -16.577 78 HG23 VAL 9 2HG2 VAL 9 -20.317 -18.414 -17.442 79 H LEU 10 H LEU 10 -16.369 -19.109 -17.579 80 HA LEU 10 HA LEU 10 -15.677 -19.796 -14.880 81 HB2 LEU 10 2HB LEU 10 -13.838 -18.039 -15.266 82 HB3 LEU 10 1HB LEU 10 -13.802 -19.516 -16.203 83 HG LEU 10 HG LEU 10 -14.914 -18.187 -18.084 84 HD11 LEU 10 1HD1 LEU 10 -14.063 -15.864 -16.366 85 HD12 LEU 10 2HD1 LEU 10 -15.707 -16.276 -16.843 86 HD13 LEU 10 3HD1 LEU 10 -14.541 -15.757 -18.058 87 HD21 LEU 10 3HD2 LEU 10 -12.578 -18.850 -18.154 88 HD22 LEU 10 1HD2 LEU 10 -12.125 -17.431 -17.209 89 HD23 LEU 10 2HD2 LEU 10 -12.782 -17.236 -18.835 90 H ASP 11 H ASP 11 -17.260 -17.082 -16.409 91 HA ASP 11 HA ASP 11 -18.150 -15.135 -15.628 92 HB2 ASP 11 2HB ASP 11 -19.625 -16.994 -14.722 93 HB3 ASP 11 1HB ASP 11 -18.807 -16.784 -13.178 94 H LYS 12 H LYS 12 -15.811 -14.419 -15.444 95 HA LYS 12 HA LYS 12 -14.833 -14.145 -12.681 96 HB2 LYS 12 2HB LYS 12 -13.382 -15.212 -14.412 97 HB3 LYS 12 1HB LYS 12 -13.372 -13.694 -15.298 98 HG2 LYS 12 2HG LYS 12 -11.335 -13.819 -14.089 99 HG3 LYS 12 1HG LYS 12 -12.342 -12.621 -13.274 100 HD2 LYS 12 2HD LYS 12 -12.966 -14.257 -11.582 101 HD3 LYS 12 1HD LYS 12 -12.038 -15.505 -12.413 102 HE2 LYS 12 2HE LYS 12 -9.993 -14.077 -12.062 103 HE3 LYS 12 1HE LYS 12 -10.984 -13.031 -11.044 104 HZ1 LYS 12 3HZ LYS 12 -9.758 -14.635 -9.731 105 HZ2 LYS 12 1HZ LYS 12 -10.467 -15.918 -10.573 106 HZ3 LYS 12 2HZ LYS 12 -11.420 -14.921 -9.598 107 H ASP 13 H ASP 13 -14.908 -12.215 -11.673 108 HA ASP 13 HA ASP 13 -15.805 -9.828 -12.914 109 HB2 ASP 13 2HB ASP 13 -14.377 -10.203 -10.264 110 HB3 ASP 13 1HB ASP 13 -15.215 -8.736 -10.767 111 H THR 14 H THR 14 -14.478 -9.260 -14.654 112 HA THR 14 HA THR 14 -11.634 -9.010 -14.429 113 HB THR 14 HB THR 14 -12.620 -9.327 -16.625 114 HG1 THR 14 HG1 THR 14 -11.710 -7.108 -17.506 115 HG21 THR 14 3HG2 THR 14 -13.915 -7.571 -17.737 116 HG22 THR 14 1HG2 THR 14 -13.867 -6.591 -16.270 117 HG23 THR 14 2HG2 THR 14 -14.735 -8.129 -16.277 118 H THR 15 H THR 15 -14.318 -6.797 -13.955 119 HA THR 15 HA THR 15 -12.430 -4.691 -13.082 120 HB THR 15 HB THR 15 -15.277 -4.429 -14.091 121 HG1 THR 15 HG1 THR 15 -12.837 -3.348 -15.112 122 HG21 THR 15 3HG2 THR 15 -14.915 -2.835 -12.272 123 HG22 THR 15 1HG2 THR 15 -14.982 -1.999 -13.824 124 HG23 THR 15 2HG2 THR 15 -13.427 -2.277 -13.038 125 H PHE 16 H PHE 16 -12.383 -4.252 -10.958 126 HA PHE 16 HA PHE 16 -14.124 -5.680 -9.150 127 HB2 PHE 16 2HB PHE 16 -11.984 -3.630 -8.504 128 HB3 PHE 16 1HB PHE 16 -12.713 -4.771 -7.381 129 HD1 PHE 16 HD2 PHE 16 -12.247 -7.216 -7.636 130 HD2 PHE 16 HD1 PHE 16 -10.164 -4.250 -9.882 131 HE1 PHE 16 HE2 PHE 16 -10.476 -8.845 -8.146 132 HE2 PHE 16 HE1 PHE 16 -8.393 -5.876 -10.394 133 HZ PHE 16 HZ PHE 16 -8.542 -8.175 -9.524 134 H GLY 17 H GLY 17 -15.772 -4.877 -7.908 135 HA2 GLY 17 2HA GLY 17 -16.941 -2.335 -8.437 136 HA3 GLY 17 1HA GLY 17 -17.375 -3.418 -7.123 137 H GLU 18 H GLU 18 -17.588 -1.000 -6.284 138 HA GLU 18 HA GLU 18 -15.385 0.548 -5.669 139 HB2 GLU 18 2HB GLU 18 -16.820 1.376 -3.687 140 HB3 GLU 18 1HB GLU 18 -17.416 1.604 -5.320 141 HG2 GLU 18 2HG GLU 18 -19.284 0.911 -4.124 142 HG3 GLU 18 1HG GLU 18 -18.750 -0.541 -4.963 143 H LEU 19 H LEU 19 -13.773 0.549 -4.247 144 HA LEU 19 HA LEU 19 -13.445 -1.802 -2.532 145 HB2 LEU 19 2HB LEU 19 -11.436 0.355 -3.212 146 HB3 LEU 19 1HB LEU 19 -11.100 -1.186 -2.444 147 HG LEU 19 HG LEU 19 -12.075 -0.826 -5.286 148 HD11 LEU 19 1HD1 LEU 19 -9.778 -0.047 -4.993 149 HD12 LEU 19 2HD1 LEU 19 -9.833 -1.531 -5.941 150 HD13 LEU 19 3HD1 LEU 19 -9.342 -1.586 -4.249 151 HD21 LEU 19 3HD2 LEU 19 -11.598 -3.226 -5.521 152 HD22 LEU 19 1HD2 LEU 19 -12.859 -2.923 -4.324 153 HD23 LEU 19 2HD2 LEU 19 -11.220 -3.315 -3.799 154 H LYS 20 H LYS 20 -12.938 -1.654 -0.319 155 HA LYS 20 HA LYS 20 -13.579 0.948 0.928 156 HB2 LYS 20 2HB LYS 20 -14.102 -1.864 1.906 157 HB3 LYS 20 1HB LYS 20 -14.282 -0.439 2.925 158 HG2 LYS 20 2HG LYS 20 -15.980 0.447 1.411 159 HG3 LYS 20 1HG LYS 20 -15.787 -0.957 0.359 160 HD2 LYS 20 2HD LYS 20 -16.572 -2.427 2.134 161 HD3 LYS 20 1HD LYS 20 -16.683 -1.061 3.247 162 HE2 LYS 20 2HE LYS 20 -18.876 -1.686 2.330 163 HE3 LYS 20 1HE LYS 20 -18.416 -0.048 1.870 164 HZ1 LYS 20 3HZ LYS 20 -17.813 -0.817 -0.303 165 HZ2 LYS 20 1HZ LYS 20 -19.379 -1.354 0.035 166 HZ3 LYS 20 2HZ LYS 20 -18.079 -2.431 0.129 167 H PHE 21 H PHE 21 -11.930 1.941 1.825 168 HA PHE 21 HA PHE 21 -9.433 0.683 2.445 169 HB2 PHE 21 2HB PHE 21 -9.581 3.000 1.635 170 HB3 PHE 21 1HB PHE 21 -10.475 3.460 3.078 171 HD1 PHE 21 HD1 PHE 21 -9.324 3.576 5.266 172 HD2 PHE 21 HD2 PHE 21 -7.202 2.763 1.661 173 HE1 PHE 21 HE1 PHE 21 -7.209 4.130 6.392 174 HE2 PHE 21 HE2 PHE 21 -5.086 3.316 2.783 175 HZ PHE 21 HZ PHE 21 -5.085 3.998 5.149 176 H SER 22 H SER 22 -9.110 -0.545 4.248 177 HA SER 22 HA SER 22 -10.677 0.088 6.658 178 HB2 SER 22 2HB SER 22 -9.902 -2.132 7.501 179 HB3 SER 22 1HB SER 22 -10.840 -2.224 6.012 180 HG SER 22 HG SER 22 -8.210 -2.884 6.494 181 H ALA 23 H ALA 23 -7.267 -0.870 5.966 182 HA ALA 23 HA ALA 23 -6.295 1.195 7.738 183 HB1 ALA 23 3HB ALA 23 -5.957 -1.685 8.581 184 HB2 ALA 23 1HB ALA 23 -6.985 -0.489 9.370 185 HB3 ALA 23 2HB ALA 23 -5.234 -0.282 9.370 186 H LEU 24 H LEU 24 -3.851 0.851 8.161 187 HA LEU 24 HA LEU 24 -2.482 0.339 5.666 188 HB2 LEU 24 2HB LEU 24 -1.794 2.219 7.033 189 HB3 LEU 24 1HB LEU 24 -1.512 1.169 8.408 190 HG LEU 24 HG LEU 24 0.347 0.081 7.152 191 HD11 LEU 24 1HD1 LEU 24 -0.146 2.275 5.142 192 HD12 LEU 24 2HD1 LEU 24 -0.413 0.551 4.887 193 HD13 LEU 24 3HD1 LEU 24 1.221 1.159 5.146 194 HD21 LEU 24 3HD2 LEU 24 0.798 1.866 8.752 195 HD22 LEU 24 1HD2 LEU 24 0.595 3.074 7.481 196 HD23 LEU 24 2HD2 LEU 24 1.930 1.923 7.402 197 H ARG 25 H ARG 25 -1.709 -1.613 5.088 198 HA ARG 25 HA ARG 25 -1.885 -3.836 6.885 199 HB2 ARG 25 2HB ARG 25 -2.418 -4.031 4.481 200 HB3 ARG 25 1HB ARG 25 -0.732 -3.721 4.088 201 HG2 ARG 25 2HG ARG 25 -1.262 -6.102 3.949 202 HG3 ARG 25 1HG ARG 25 -0.072 -5.783 5.216 203 HD2 ARG 25 2HD ARG 25 -1.763 -5.961 6.922 204 HD3 ARG 25 1HD ARG 25 -3.032 -6.088 5.711 205 HE ARG 25 HE ARG 25 -0.949 -8.146 6.004 206 HH11 ARG 25 1HH1 ARG 25 -4.238 -7.218 5.560 207 HH12 ARG 25 2HH1 ARG 25 -4.822 -8.846 5.665 208 HH21 ARG 25 1HH2 ARG 25 -1.700 -10.224 6.119 209 HH22 ARG 25 2HH2 ARG 25 -3.397 -10.536 6.010 210 H ARG 26 H ARG 26 0.892 -2.361 5.155 211 HA ARG 26 HA ARG 26 2.718 -2.850 7.281 212 HB2 ARG 26 2HB ARG 26 2.447 -5.174 6.619 213 HB3 ARG 26 1HB ARG 26 2.783 -4.770 4.943 214 HG2 ARG 26 2HG ARG 26 5.077 -4.169 5.537 215 HG3 ARG 26 1HG ARG 26 4.738 -4.557 7.227 216 HD2 ARG 26 2HD ARG 26 4.273 -6.876 6.615 217 HD3 ARG 26 1HD ARG 26 4.556 -6.501 4.917 218 HE ARG 26 HE ARG 26 6.864 -5.790 6.234 219 HH11 ARG 26 1HH1 ARG 26 5.006 -8.670 5.864 220 HH12 ARG 26 2HH1 ARG 26 6.388 -9.704 5.954 221 HH21 ARG 26 1HH2 ARG 26 8.643 -7.131 6.350 222 HH22 ARG 26 2HH2 ARG 26 8.425 -8.842 6.218 223 H GLU 27 H GLU 27 4.639 -1.763 6.988 224 HA GLU 27 HA GLU 27 5.130 -0.552 4.336 225 HB2 GLU 27 2HB GLU 27 6.150 0.352 7.047 226 HB3 GLU 27 1HB GLU 27 6.454 1.156 5.511 227 HG2 GLU 27 2HG GLU 27 4.063 1.641 5.291 228 HG3 GLU 27 1HG GLU 27 3.759 0.834 6.830 229 H VAL 28 H VAL 28 6.735 -1.486 3.207 230 HA VAL 28 HA VAL 28 8.865 -2.911 4.652 231 HB VAL 28 HB VAL 28 9.540 -3.790 2.418 232 HG11 VAL 28 1HG1 VAL 28 6.647 -4.255 3.170 233 HG12 VAL 28 2HG1 VAL 28 8.048 -5.074 3.860 234 HG13 VAL 28 3HG1 VAL 28 7.633 -5.320 2.164 235 HG21 VAL 28 3HG2 VAL 28 7.067 -2.339 1.449 236 HG22 VAL 28 1HG2 VAL 28 7.979 -3.528 0.516 237 HG23 VAL 28 2HG2 VAL 28 8.735 -2.005 0.980 238 H ARG 29 H ARG 29 10.728 -1.901 5.056 239 HA ARG 29 HA ARG 29 11.284 0.633 3.719 240 HB2 ARG 29 2HB ARG 29 12.478 -0.651 6.178 241 HB3 ARG 29 1HB ARG 29 13.042 0.874 5.508 242 HG2 ARG 29 2HG ARG 29 10.776 1.812 5.836 243 HG3 ARG 29 1HG ARG 29 10.291 0.299 6.603 244 HD2 ARG 29 2HD ARG 29 11.891 0.627 8.379 245 HD3 ARG 29 1HD ARG 29 12.560 2.045 7.569 246 HE ARG 29 HE ARG 29 9.740 2.176 8.246 247 HH11 ARG 29 1HH1 ARG 29 12.960 2.907 9.244 248 HH12 ARG 29 2HH1 ARG 29 12.458 4.229 10.239 249 HH21 ARG 29 1HH2 ARG 29 9.113 3.846 9.536 250 HH22 ARG 29 2HH2 ARG 29 10.303 4.749 10.414 251 H ILE 30 H ILE 30 13.809 1.083 3.660 252 HA ILE 30 HA ILE 30 14.904 -0.890 1.786 253 HB ILE 30 HB ILE 30 15.794 1.953 2.354 254 HG12 ILE 30 2HG1 ILE 30 14.187 0.888 0.011 255 HG13 ILE 30 1HG1 ILE 30 13.497 1.762 1.376 256 HG21 ILE 30 1HG2 ILE 30 17.608 0.605 1.472 257 HG22 ILE 30 2HG2 ILE 30 17.050 1.735 0.238 258 HG23 ILE 30 3HG2 ILE 30 16.581 0.035 0.153 259 HD11 ILE 30 3HD1 ILE 30 15.528 2.865 -0.554 260 HD12 ILE 30 1HD1 ILE 30 14.773 3.734 0.784 261 HD13 ILE 30 2HD1 ILE 30 13.793 3.189 -0.575 262 H GLN 31 H GLN 31 16.306 -2.347 2.622 263 HA GLN 31 HA GLN 31 17.661 -1.833 5.123 264 HB2 GLN 31 2HB GLN 31 16.770 -4.063 4.708 265 HB3 GLN 31 1HB GLN 31 17.786 -4.233 3.281 266 HG2 GLN 31 2HG GLN 31 19.777 -4.246 4.630 267 HG3 GLN 31 1HG GLN 31 18.851 -3.867 6.082 268 HE21 GLN 31 1HE2 GLN 31 19.585 -5.699 7.142 269 HE22 GLN 31 2HE2 GLN 31 19.038 -7.286 6.735 270 H ASN 32 H ASN 32 19.668 -1.158 5.418 271 HA ASN 32 HA ASN 32 21.330 -0.449 3.168 272 HB2 ASN 32 2HB ASN 32 21.932 -0.290 6.138 273 HB3 ASN 32 1HB ASN 32 22.817 0.525 4.851 274 HD21 ASN 32 1HD2 ASN 32 22.405 2.536 5.796 275 HD22 ASN 32 2HD2 ASN 32 20.854 3.279 5.718 276 H GLU 33 H GLU 33 23.374 -1.321 2.656 277 HA GLU 33 HA GLU 33 23.706 -4.098 3.072 278 HB2 GLU 33 2HB GLU 33 25.751 -2.076 2.127 279 HB3 GLU 33 1HB GLU 33 25.875 -3.822 1.947 280 HG2 GLU 33 2HG GLU 33 23.812 -3.776 0.564 281 HG3 GLU 33 1HG GLU 33 23.825 -2.016 0.669 282 H ASP 34 H ASP 34 24.646 -1.379 4.944 283 HA ASP 34 HA ASP 34 26.727 -2.458 6.499 284 HB2 ASP 34 2HB ASP 34 24.571 -0.479 7.286 285 HB3 ASP 34 1HB ASP 34 26.067 -0.765 8.174 286 H GLY 35 H GLY 35 23.396 -3.280 6.388 287 HA2 GLY 35 2HA GLY 35 22.871 -5.445 7.477 288 HA3 GLY 35 1HA GLY 35 23.662 -4.815 8.911 289 H SER 36 H SER 36 22.589 -2.315 9.169 290 HA SER 36 HA SER 36 19.975 -2.896 10.202 291 HB2 SER 36 2HB SER 36 21.461 -0.257 10.013 292 HB3 SER 36 1HB SER 36 19.963 -0.511 10.911 293 HG SER 36 HG SER 36 22.569 -1.325 11.497 294 H VAL 37 H VAL 37 18.006 -1.734 9.692 295 HA VAL 37 HA VAL 37 17.751 -1.248 6.809 296 HB VAL 37 HB VAL 37 15.566 -1.545 8.881 297 HG11 VAL 37 1HG1 VAL 37 15.465 -1.652 5.861 298 HG12 VAL 37 2HG1 VAL 37 14.834 -0.359 6.882 299 HG13 VAL 37 3HG1 VAL 37 14.109 -1.967 6.947 300 HG21 VAL 37 3HG2 VAL 37 15.310 -3.844 8.048 301 HG22 VAL 37 1HG2 VAL 37 16.901 -3.583 8.766 302 HG23 VAL 37 2HG2 VAL 37 16.721 -3.624 7.011 303 H SER 38 H SER 38 17.555 0.742 6.007 304 HA SER 38 HA SER 38 17.836 3.078 7.528 305 HB2 SER 38 2HB SER 38 18.459 2.966 5.159 306 HB3 SER 38 1HB SER 38 16.768 2.777 4.707 307 HG SER 38 HG SER 38 18.155 5.044 5.518 308 H ASP 39 H ASP 39 16.373 4.949 7.624 309 HA ASP 39 HA ASP 39 13.631 4.255 8.222 310 HB2 ASP 39 2HB ASP 39 15.122 6.889 8.270 311 HB3 ASP 39 1HB ASP 39 13.417 6.730 8.691 312 H GLU 40 H GLU 40 15.289 4.900 5.419 313 HA GLU 40 HA GLU 40 13.195 6.167 3.921 314 HB2 GLU 40 2HB GLU 40 15.531 4.473 2.991 315 HB3 GLU 40 1HB GLU 40 14.479 5.407 1.936 316 HG2 GLU 40 2HG GLU 40 15.221 7.471 3.059 317 HG3 GLU 40 1HG GLU 40 16.312 6.511 4.058 318 H ILE 41 H ILE 41 11.381 5.249 3.155 319 HA ILE 41 HA ILE 41 11.013 2.370 3.554 320 HB ILE 41 HB ILE 41 8.921 4.461 2.899 321 HG12 ILE 41 2HG1 ILE 41 9.682 3.262 5.581 322 HG13 ILE 41 1HG1 ILE 41 10.015 4.914 5.070 323 HG21 ILE 41 1HG2 ILE 41 7.318 2.766 3.653 324 HG22 ILE 41 2HG2 ILE 41 8.638 1.627 3.915 325 HG23 ILE 41 3HG2 ILE 41 8.266 2.184 2.285 326 HD11 ILE 41 3HD1 ILE 41 7.606 5.346 4.946 327 HD12 ILE 41 1HD1 ILE 41 8.112 4.837 6.556 328 HD13 ILE 41 2HD1 ILE 41 7.293 3.697 5.491 329 H LYS 42 H LYS 42 10.474 0.957 1.897 330 HA LYS 42 HA LYS 42 11.101 1.874 -0.792 331 HB2 LYS 42 2HB LYS 42 12.036 -0.252 0.178 332 HB3 LYS 42 1HB LYS 42 10.412 -0.924 0.142 333 HG2 LYS 42 2HG LYS 42 11.737 -1.681 -1.761 334 HG3 LYS 42 1HG LYS 42 10.359 -0.710 -2.287 335 HD2 LYS 42 2HD LYS 42 11.790 1.223 -2.603 336 HD3 LYS 42 1HD LYS 42 13.178 0.339 -1.962 337 HE2 LYS 42 2HE LYS 42 13.130 -1.180 -3.840 338 HE3 LYS 42 1HE LYS 42 11.647 -0.440 -4.448 339 HZ1 LYS 42 3HZ LYS 42 12.858 1.615 -4.797 340 HZ2 LYS 42 1HZ LYS 42 13.594 0.347 -5.641 341 HZ3 LYS 42 2HZ LYS 42 14.278 0.916 -4.205 342 H GLU 43 H GLU 43 8.475 -0.116 0.606 343 HA GLU 43 HA GLU 43 6.533 1.323 -1.062 344 HB2 GLU 43 2HB GLU 43 6.690 -1.689 -0.815 345 HB3 GLU 43 1HB GLU 43 5.359 -0.812 -1.554 346 HG2 GLU 43 2HG GLU 43 7.060 0.165 -3.146 347 HG3 GLU 43 1HG GLU 43 8.201 -1.015 -2.512 348 H ARG 44 H ARG 44 4.292 1.005 -0.377 349 HA ARG 44 HA ARG 44 4.008 0.418 2.498 350 HB2 ARG 44 2HB ARG 44 4.291 2.816 2.284 351 HB3 ARG 44 1HB ARG 44 3.067 2.889 1.022 352 HG2 ARG 44 2HG ARG 44 1.334 2.343 2.596 353 HG3 ARG 44 1HG ARG 44 2.522 2.073 3.874 354 HD2 ARG 44 2HD ARG 44 2.097 4.709 2.457 355 HD3 ARG 44 1HD ARG 44 1.378 4.283 4.010 356 HE ARG 44 HE ARG 44 3.858 3.946 4.667 357 HH11 ARG 44 1HH1 ARG 44 2.666 6.389 2.557 358 HH12 ARG 44 2HH1 ARG 44 3.878 7.528 3.017 359 HH21 ARG 44 1HH2 ARG 44 5.395 5.388 5.250 360 HH22 ARG 44 2HH2 ARG 44 5.453 6.948 4.499 361 H THR 45 H THR 45 2.582 -1.191 2.634 362 HA THR 45 HA THR 45 0.547 -1.572 0.565 363 HB THR 45 HB THR 45 1.321 -3.435 2.829 364 HG1 THR 45 HG1 THR 45 2.062 -3.759 0.111 365 HG21 THR 45 3HG2 THR 45 -0.249 -3.930 0.290 366 HG22 THR 45 1HG2 THR 45 -0.911 -3.882 1.924 367 HG23 THR 45 2HG2 THR 45 0.217 -5.159 1.467 368 H TYR 46 H TYR 46 -1.577 -1.264 0.874 369 HA TYR 46 HA TYR 46 -2.600 -0.808 3.611 370 HB2 TYR 46 2HB TYR 46 -3.607 0.244 0.955 371 HB3 TYR 46 1HB TYR 46 -4.453 0.452 2.482 372 HD1 TYR 46 HD2 TYR 46 -3.567 1.977 4.200 373 HD2 TYR 46 HD1 TYR 46 -1.646 1.567 0.419 374 HE1 TYR 46 HE2 TYR 46 -2.351 4.076 4.592 375 HE2 TYR 46 HE1 TYR 46 -0.425 3.664 0.810 376 HH TYR 46 HH TYR 46 -0.401 5.232 3.875 377 H ASP 47 H ASP 47 -4.614 -1.710 4.199 378 HA ASP 47 HA ASP 47 -5.443 -4.096 2.752 379 HB2 ASP 47 2HB ASP 47 -6.269 -2.877 5.393 380 HB3 ASP 47 1HB ASP 47 -7.107 -4.257 4.697 381 H LEU 48 H LEU 48 -6.754 -3.745 1.013 382 HA LEU 48 HA LEU 48 -9.075 -1.952 1.412 383 HB2 LEU 48 2HB LEU 48 -7.838 -2.832 -1.205 384 HB3 LEU 48 1HB LEU 48 -9.229 -1.779 -1.034 385 HG LEU 48 HG LEU 48 -6.357 -1.165 -0.327 386 HD11 LEU 48 1HD1 LEU 48 -8.294 0.125 -2.254 387 HD12 LEU 48 2HD1 LEU 48 -6.924 -0.901 -2.674 388 HD13 LEU 48 3HD1 LEU 48 -6.648 0.668 -1.927 389 HD21 LEU 48 3HD2 LEU 48 -7.152 1.042 0.437 390 HD22 LEU 48 1HD2 LEU 48 -7.731 -0.269 1.462 391 HD23 LEU 48 2HD2 LEU 48 -8.817 0.478 0.291 392 H LYS 49 H LYS 49 -11.063 -2.831 1.402 393 HA LYS 49 HA LYS 49 -11.325 -5.699 0.964 394 HB2 LYS 49 2HB LYS 49 -13.383 -3.670 1.878 395 HB3 LYS 49 1HB LYS 49 -13.615 -5.412 1.839 396 HG2 LYS 49 2HG LYS 49 -11.719 -3.860 3.598 397 HG3 LYS 49 1HG LYS 49 -13.140 -4.783 4.090 398 HD2 LYS 49 2HD LYS 49 -12.017 -6.850 3.237 399 HD3 LYS 49 1HD LYS 49 -10.571 -5.887 2.932 400 HE2 LYS 49 2HE LYS 49 -11.882 -6.399 5.602 401 HE3 LYS 49 1HE LYS 49 -10.351 -7.061 5.035 402 HZ1 LYS 49 3HZ LYS 49 -10.956 -4.231 5.685 403 HZ2 LYS 49 1HZ LYS 49 -9.527 -4.726 4.926 404 HZ3 LYS 49 2HZ LYS 49 -9.884 -5.265 6.489 405 H SER 50 H SER 50 -11.863 -6.533 -0.947 406 HA SER 50 HA SER 50 -12.920 -4.775 -3.038 407 HB2 SER 50 2HB SER 50 -10.928 -6.007 -3.648 408 HB3 SER 50 1HB SER 50 -11.684 -7.533 -3.199 409 HG SER 50 HG SER 50 -11.692 -6.456 -5.556 410 H LYS 51 H LYS 51 -14.729 -5.207 -4.253 411 HA LYS 51 HA LYS 51 -16.730 -6.912 -2.998 412 HB2 LYS 51 2HB LYS 51 -17.261 -4.576 -3.672 413 HB3 LYS 51 1HB LYS 51 -16.983 -5.009 -5.349 414 HG2 LYS 51 2HG LYS 51 -19.366 -4.922 -4.797 415 HG3 LYS 51 1HG LYS 51 -18.869 -6.537 -5.305 416 HD2 LYS 51 2HD LYS 51 -20.362 -6.694 -3.403 417 HD3 LYS 51 1HD LYS 51 -18.745 -7.220 -2.933 418 HE2 LYS 51 2HE LYS 51 -19.744 -5.818 -1.203 419 HE3 LYS 51 1HE LYS 51 -18.331 -5.033 -1.905 420 HZ1 LYS 51 3HZ LYS 51 -19.786 -3.659 -3.238 421 HZ2 LYS 51 1HZ LYS 51 -20.185 -3.500 -1.606 422 HZ3 LYS 51 2HZ LYS 51 -21.153 -4.440 -2.625 423 H GLY 52 H GLY 52 -14.349 -7.533 -5.136 424 HA2 GLY 52 2HA GLY 52 -15.731 -8.941 -7.218 425 HA3 GLY 52 1HA GLY 52 -14.016 -9.042 -6.859 426 H GLN 53 H GLN 53 -13.269 -10.906 -5.968 427 HA GLN 53 HA GLN 53 -15.113 -13.074 -5.516 428 HB2 GLN 53 2HB GLN 53 -12.122 -12.817 -5.523 429 HB3 GLN 53 1HB GLN 53 -12.868 -14.264 -4.865 430 HG2 GLN 53 2HG GLN 53 -12.219 -14.616 -7.168 431 HG3 GLN 53 1HG GLN 53 -13.972 -14.677 -7.010 432 HE21 GLN 53 1HE2 GLN 53 -15.212 -13.062 -7.954 433 HE22 GLN 53 2HE2 GLN 53 -14.568 -11.960 -9.113 434 H GLY 54 H GLY 54 -14.737 -10.647 -3.541 435 HA2 GLY 54 2HA GLY 54 -15.312 -10.443 -1.308 436 HA3 GLY 54 1HA GLY 54 -15.402 -12.192 -1.209 437 H ARG 55 H ARG 55 -12.439 -11.695 -2.431 438 HA ARG 55 HA ARG 55 -11.103 -12.137 0.079 439 HB2 ARG 55 2HB ARG 55 -10.239 -12.002 -2.799 440 HB3 ARG 55 1HB ARG 55 -9.032 -11.988 -1.522 441 HG2 ARG 55 2HG ARG 55 -11.117 -14.147 -1.775 442 HG3 ARG 55 1HG ARG 55 -9.535 -14.230 -2.553 443 HD2 ARG 55 2HD ARG 55 -8.470 -13.970 -0.330 444 HD3 ARG 55 1HD ARG 55 -10.070 -13.999 0.412 445 HE ARG 55 HE ARG 55 -10.158 -16.297 -0.835 446 HH11 ARG 55 1HH1 ARG 55 -7.442 -14.925 0.811 447 HH12 ARG 55 2HH1 ARG 55 -6.822 -16.470 1.268 448 HH21 ARG 55 1HH2 ARG 55 -9.326 -18.259 -0.260 449 HH22 ARG 55 2HH2 ARG 55 -7.866 -18.336 0.667 450 H MET 56 H MET 56 -9.659 -10.800 1.137 451 HA MET 56 HA MET 56 -9.771 -7.981 0.746 452 HB2 MET 56 2HB MET 56 -8.060 -7.859 2.486 453 HB3 MET 56 1HB MET 56 -9.310 -9.004 2.952 454 HG2 MET 56 2HG MET 56 -7.885 -10.865 2.356 455 HG3 MET 56 1HG MET 56 -6.649 -9.764 1.748 456 HE1 MET 56 3HE MET 56 -4.868 -11.156 4.897 457 HE2 MET 56 1HE MET 56 -4.733 -10.791 3.177 458 HE3 MET 56 2HE MET 56 -5.867 -12.024 3.730 459 H ILE 57 H ILE 57 -8.482 -6.685 -0.513 460 HA ILE 57 HA ILE 57 -6.283 -8.010 -1.957 461 HB ILE 57 HB ILE 57 -6.401 -6.186 -3.597 462 HG12 ILE 57 2HG1 ILE 57 -8.776 -5.194 -1.988 463 HG13 ILE 57 1HG1 ILE 57 -7.217 -4.386 -2.111 464 HG21 ILE 57 1HG2 ILE 57 -9.096 -7.452 -3.085 465 HG22 ILE 57 2HG2 ILE 57 -7.739 -8.220 -3.908 466 HG23 ILE 57 3HG2 ILE 57 -8.519 -6.810 -4.624 467 HD11 ILE 57 3HD1 ILE 57 -7.580 -4.082 -4.515 468 HD12 ILE 57 1HD1 ILE 57 -8.843 -3.328 -3.545 469 HD13 ILE 57 2HD1 ILE 57 -9.158 -4.858 -4.364 470 H GLN 58 H GLN 58 -4.273 -7.644 -1.265 471 HA GLN 58 HA GLN 58 -3.764 -5.392 0.523 472 HB2 GLN 58 2HB GLN 58 -1.919 -7.606 -0.416 473 HB3 GLN 58 1HB GLN 58 -1.563 -6.446 0.857 474 HG2 GLN 58 2HG GLN 58 -3.351 -7.345 2.226 475 HG3 GLN 58 1HG GLN 58 -3.811 -8.458 0.938 476 HE21 GLN 58 1HE2 GLN 58 -2.453 -10.222 0.480 477 HE22 GLN 58 2HE2 GLN 58 -1.274 -10.771 1.613 478 H VAL 59 H VAL 59 -3.453 -3.479 -0.471 479 HA VAL 59 HA VAL 59 -2.290 -3.442 -3.156 480 HB VAL 59 HB VAL 59 -3.710 -1.266 -1.611 481 HG11 VAL 59 1HG1 VAL 59 -3.742 -0.032 -3.749 482 HG12 VAL 59 2HG1 VAL 59 -2.716 -1.274 -4.468 483 HG13 VAL 59 3HG1 VAL 59 -2.101 -0.277 -3.148 484 HG21 VAL 59 3HG2 VAL 59 -5.195 -3.074 -2.257 485 HG22 VAL 59 1HG2 VAL 59 -4.603 -3.008 -3.917 486 HG23 VAL 59 2HG2 VAL 59 -5.521 -1.657 -3.252 487 H SER 60 H SER 60 -0.242 -2.968 -3.485 488 HA SER 60 HA SER 60 1.270 -1.537 -1.393 489 HB2 SER 60 2HB SER 60 2.322 -3.327 -3.604 490 HB3 SER 60 1HB SER 60 3.279 -2.589 -2.322 491 HG SER 60 HG SER 60 2.399 -4.902 -2.146 492 H ILE 61 H ILE 61 1.795 0.514 -1.810 493 HA ILE 61 HA ILE 61 2.324 1.308 -4.613 494 HB ILE 61 HB ILE 61 1.717 3.617 -3.989 495 HG12 ILE 61 2HG1 ILE 61 0.816 2.412 -1.350 496 HG13 ILE 61 1HG1 ILE 61 2.217 3.457 -1.562 497 HG21 ILE 61 1HG2 ILE 61 0.043 2.189 -5.013 498 HG22 ILE 61 2HG2 ILE 61 -0.713 3.279 -3.851 499 HG23 ILE 61 3HG2 ILE 61 -0.446 1.586 -3.430 500 HD11 ILE 61 3HD1 ILE 61 -0.650 4.229 -2.048 501 HD12 ILE 61 1HD1 ILE 61 0.754 5.277 -2.259 502 HD13 ILE 61 2HD1 ILE 61 0.333 4.678 -0.655 503 HA PRO 62 HA PRO 62 6.524 2.229 -3.415 504 HB2 PRO 62 2HB PRO 62 6.268 4.652 -5.125 505 HB3 PRO 62 1HB PRO 62 7.459 3.349 -5.192 506 HG2 PRO 62 2HG PRO 62 5.508 3.518 -7.015 507 HG3 PRO 62 1HG PRO 62 6.050 1.945 -6.399 508 HD2 PRO 62 2HD PRO 62 3.587 3.508 -5.707 509 HD3 PRO 62 1HD PRO 62 3.792 1.754 -5.907 510 H ALA 63 H ALA 63 7.376 3.309 -1.704 511 HA ALA 63 HA ALA 63 5.804 5.069 -0.157 512 HB1 ALA 63 3HB ALA 63 7.770 5.282 1.271 513 HB2 ALA 63 1HB ALA 63 8.763 4.531 0.021 514 HB3 ALA 63 2HB ALA 63 7.487 3.604 0.810 515 H SER 64 H SER 64 7.619 5.779 -2.911 516 HA SER 64 HA SER 64 8.382 8.460 -2.318 517 HB2 SER 64 2HB SER 64 8.584 8.705 -4.784 518 HB3 SER 64 1HB SER 64 9.397 7.257 -4.188 519 HG SER 64 HG SER 64 8.255 6.455 -5.820 520 H VAL 65 H VAL 65 5.388 6.956 -3.081 521 HA VAL 65 HA VAL 65 3.981 9.357 -3.869 522 HB VAL 65 HB VAL 65 2.885 6.648 -3.042 523 HG11 VAL 65 1HG1 VAL 65 0.852 7.339 -4.253 524 HG12 VAL 65 2HG1 VAL 65 1.561 8.934 -4.515 525 HG13 VAL 65 3HG1 VAL 65 1.196 8.389 -2.878 526 HG21 VAL 65 3HG2 VAL 65 3.499 7.730 -5.799 527 HG22 VAL 65 1HG2 VAL 65 2.664 6.211 -5.462 528 HG23 VAL 65 2HG2 VAL 65 4.347 6.422 -4.973 529 HA PRO 66 HA PRO 66 3.304 11.076 0.218 530 HB2 PRO 66 2HB PRO 66 0.655 11.777 -0.999 531 HB3 PRO 66 1HB PRO 66 1.777 12.792 -0.083 532 HG2 PRO 66 2HG PRO 66 1.659 13.003 -2.722 533 HG3 PRO 66 1HG PRO 66 3.227 13.043 -1.891 534 HD2 PRO 66 2HD PRO 66 1.973 10.834 -3.470 535 HD3 PRO 66 1HD PRO 66 3.680 11.312 -3.349 536 H LEU 67 H LEU 67 2.163 10.681 2.112 537 HA LEU 67 HA LEU 67 1.011 8.131 2.455 538 HB2 LEU 67 2HB LEU 67 2.196 9.282 4.238 539 HB3 LEU 67 1HB LEU 67 1.001 10.563 4.247 540 HG LEU 67 HG LEU 67 -0.702 8.934 5.037 541 HD11 LEU 67 1HD1 LEU 67 1.635 7.036 5.219 542 HD12 LEU 67 2HD1 LEU 67 0.258 6.895 4.125 543 HD13 LEU 67 3HD1 LEU 67 0.019 6.750 5.868 544 HD21 LEU 67 3HD2 LEU 67 0.159 8.737 7.323 545 HD22 LEU 67 1HD2 LEU 67 0.491 10.327 6.638 546 HD23 LEU 67 2HD2 LEU 67 1.779 9.128 6.748 547 H LYS 68 H LYS 68 -1.077 7.401 2.492 548 HA LYS 68 HA LYS 68 -3.208 9.294 1.836 549 HB2 LYS 68 2HB LYS 68 -3.071 6.286 1.832 550 HB3 LYS 68 1HB LYS 68 -4.607 7.137 1.734 551 HG2 LYS 68 2HG LYS 68 -3.845 6.497 -0.477 552 HG3 LYS 68 1HG LYS 68 -3.871 8.251 -0.316 553 HD2 LYS 68 2HD LYS 68 -1.436 8.225 0.094 554 HD3 LYS 68 1HD LYS 68 -1.430 6.476 -0.134 555 HE2 LYS 68 2HE LYS 68 -0.712 7.684 -2.156 556 HE3 LYS 68 1HE LYS 68 -2.178 6.746 -2.432 557 HZ1 LYS 68 3HZ LYS 68 -2.224 9.014 -3.399 558 HZ2 LYS 68 1HZ LYS 68 -2.165 9.655 -1.834 559 HZ3 LYS 68 2HZ LYS 68 -3.488 8.720 -2.318 560 H GLU 69 H GLU 69 -4.584 10.065 3.259 561 HA GLU 69 HA GLU 69 -4.736 8.833 5.943 562 HB2 GLU 69 2HB GLU 69 -5.128 11.711 5.106 563 HB3 GLU 69 1HB GLU 69 -5.302 11.109 6.753 564 HG2 GLU 69 2HG GLU 69 -2.953 10.542 6.833 565 HG3 GLU 69 1HG GLU 69 -2.751 11.000 5.143 566 H PHE 70 H PHE 70 -6.426 7.439 4.880 567 HA PHE 70 HA PHE 70 -8.989 8.834 4.467 568 HB2 PHE 70 2HB PHE 70 -8.202 6.007 3.716 569 HB3 PHE 70 1HB PHE 70 -9.750 6.766 3.363 570 HD1 PHE 70 HD1 PHE 70 -8.781 9.482 2.530 571 HD2 PHE 70 HD2 PHE 70 -7.369 5.579 1.561 572 HE1 PHE 70 HE1 PHE 70 -7.886 10.334 0.404 573 HE2 PHE 70 HE2 PHE 70 -6.475 6.431 -0.565 574 HZ PHE 70 HZ PHE 70 -6.730 8.808 -1.144 575 H ASP 71 H ASP 71 -10.949 7.497 5.115 576 HA ASP 71 HA ASP 71 -10.671 6.811 7.948 577 HB2 ASP 71 2HB ASP 71 -12.280 8.569 7.281 578 HB3 ASP 71 1HB ASP 71 -13.142 7.396 6.290 579 H TYR 72 H TYR 72 -12.234 5.060 8.763 580 HA TYR 72 HA TYR 72 -11.575 2.591 7.540 581 HB2 TYR 72 2HB TYR 72 -11.914 2.805 9.953 582 HB3 TYR 72 1HB TYR 72 -13.610 3.203 9.698 583 HD1 TYR 72 HD2 TYR 72 -11.186 0.485 8.804 584 HD2 TYR 72 HD1 TYR 72 -15.144 1.495 10.012 585 HE1 TYR 72 HE2 TYR 72 -11.755 -1.903 8.936 586 HE2 TYR 72 HE1 TYR 72 -15.716 -0.889 10.145 587 HH TYR 72 HH TYR 72 -13.420 -3.338 10.147 588 H ASN 73 H ASN 73 -12.618 1.345 6.102 589 HA ASN 73 HA ASN 73 -14.049 0.669 4.490 590 HB2 ASN 73 2HB ASN 73 -16.064 1.761 6.453 591 HB3 ASN 73 1HB ASN 73 -16.545 0.997 4.940 592 HD21 ASN 73 1HD2 ASN 73 -17.136 0.104 7.594 593 HD22 ASN 73 2HD2 ASN 73 -16.437 -1.470 7.756 594 H ALA 74 H ALA 74 -12.963 3.507 4.506 595 HA ALA 74 HA ALA 74 -14.863 5.121 3.122 596 HB1 ALA 74 3HB ALA 74 -12.933 6.083 4.299 597 HB2 ALA 74 1HB ALA 74 -12.983 6.586 2.608 598 HB3 ALA 74 2HB ALA 74 -11.850 5.337 3.125 599 H ARG 75 H ARG 75 -15.471 5.078 1.031 600 HA ARG 75 HA ARG 75 -14.649 3.050 -0.739 601 HB2 ARG 75 2HB ARG 75 -16.090 5.648 -1.317 602 HB3 ARG 75 1HB ARG 75 -15.922 4.323 -2.464 603 HG2 ARG 75 2HG ARG 75 -17.193 2.855 -1.001 604 HG3 ARG 75 1HG ARG 75 -17.314 4.135 0.208 605 HD2 ARG 75 2HD ARG 75 -18.465 4.206 -2.585 606 HD3 ARG 75 1HD ARG 75 -19.374 3.957 -1.094 607 HE ARG 75 HE ARG 75 -18.339 6.460 -2.111 608 HH11 ARG 75 1HH1 ARG 75 -19.519 4.783 0.651 609 HH12 ARG 75 2HH1 ARG 75 -20.018 6.231 1.450 610 HH21 ARG 75 1HH2 ARG 75 -18.978 8.308 -1.084 611 HH22 ARG 75 2HH2 ARG 75 -19.721 8.206 0.480 612 H VAL 76 H VAL 76 -12.795 2.848 -1.772 613 HA VAL 76 HA VAL 76 -11.432 5.245 -2.830 614 HB VAL 76 HB VAL 76 -9.247 4.165 -2.353 615 HG11 VAL 76 1HG1 VAL 76 -10.106 5.843 -0.814 616 HG12 VAL 76 2HG1 VAL 76 -9.217 4.600 0.066 617 HG13 VAL 76 3HG1 VAL 76 -10.981 4.602 0.083 618 HG21 VAL 76 3HG2 VAL 76 -9.145 2.278 -0.773 619 HG22 VAL 76 1HG2 VAL 76 -9.971 1.837 -2.266 620 HG23 VAL 76 2HG2 VAL 76 -10.904 2.163 -0.806 621 H GLU 77 H GLU 77 -10.227 4.963 -4.754 622 HA GLU 77 HA GLU 77 -10.323 2.324 -6.033 623 HB2 GLU 77 2HB GLU 77 -10.921 3.296 -8.205 624 HB3 GLU 77 1HB GLU 77 -12.182 3.566 -7.017 625 HG2 GLU 77 2HG GLU 77 -11.443 5.877 -6.747 626 HG3 GLU 77 1HG GLU 77 -10.150 5.608 -7.916 627 H LEU 78 H LEU 78 -8.693 2.025 -7.712 628 HA LEU 78 HA LEU 78 -6.246 3.372 -6.810 629 HB2 LEU 78 2HB LEU 78 -6.654 0.752 -8.252 630 HB3 LEU 78 1HB LEU 78 -5.089 1.404 -7.803 631 HG LEU 78 HG LEU 78 -7.278 0.598 -5.878 632 HD11 LEU 78 1HD1 LEU 78 -5.766 -1.214 -5.247 633 HD12 LEU 78 2HD1 LEU 78 -4.620 -0.705 -6.486 634 HD13 LEU 78 3HD1 LEU 78 -6.207 -1.322 -6.950 635 HD21 LEU 78 3HD2 LEU 78 -5.564 0.989 -4.139 636 HD22 LEU 78 1HD2 LEU 78 -6.017 2.465 -4.992 637 HD23 LEU 78 2HD2 LEU 78 -4.493 1.659 -5.371 638 H ILE 79 H ILE 79 -4.760 4.272 -8.133 639 HA ILE 79 HA ILE 79 -5.511 4.851 -10.894 640 HB ILE 79 HB ILE 79 -3.162 5.857 -9.261 641 HG12 ILE 79 2HG1 ILE 79 -5.298 6.592 -8.305 642 HG13 ILE 79 1HG1 ILE 79 -4.448 7.948 -9.034 643 HG21 ILE 79 1HG2 ILE 79 -2.642 6.025 -11.585 644 HG22 ILE 79 2HG2 ILE 79 -3.048 7.637 -11.003 645 HG23 ILE 79 3HG2 ILE 79 -4.220 6.720 -11.952 646 HD11 ILE 79 3HD1 ILE 79 -5.908 7.795 -10.996 647 HD12 ILE 79 1HD1 ILE 79 -6.815 8.053 -9.507 648 HD13 ILE 79 2HD1 ILE 79 -6.767 6.451 -10.241 649 H ASN 80 H ASN 80 -4.877 3.475 -12.436 650 HA ASN 80 HA ASN 80 -3.868 1.740 -13.503 651 HB2 ASN 80 2HB ASN 80 -1.382 3.238 -12.642 652 HB3 ASN 80 1HB ASN 80 -1.442 2.012 -13.906 653 HD21 ASN 80 1HD2 ASN 80 -2.021 5.267 -13.092 654 HD22 ASN 80 2HD2 ASN 80 -2.557 5.799 -14.642 655 HA PRO 81 HA PRO 81 -2.735 -0.803 -9.765 656 HB2 PRO 81 2HB PRO 81 -4.925 -2.333 -9.604 657 HB3 PRO 81 1HB PRO 81 -4.894 -0.701 -8.926 658 HG2 PRO 81 2HG PRO 81 -6.066 -1.649 -11.519 659 HG3 PRO 81 1HG PRO 81 -6.744 -0.515 -10.338 660 HD2 PRO 81 2HD PRO 81 -5.440 0.246 -12.647 661 HD3 PRO 81 1HD PRO 81 -5.576 1.263 -11.200 662 H ILE 82 H ILE 82 -1.783 -2.806 -9.881 663 HA ILE 82 HA ILE 82 -2.396 -4.582 -12.153 664 HB ILE 82 HB ILE 82 -0.015 -5.121 -12.448 665 HG12 ILE 82 2HG1 ILE 82 0.585 -2.782 -10.610 666 HG13 ILE 82 1HG1 ILE 82 0.674 -4.464 -10.106 667 HG21 ILE 82 1HG2 ILE 82 -1.006 -3.444 -13.902 668 HG22 ILE 82 2HG2 ILE 82 0.687 -3.062 -13.580 669 HG23 ILE 82 3HG2 ILE 82 -0.591 -2.174 -12.749 670 HD11 ILE 82 3HD1 ILE 82 2.867 -3.596 -10.624 671 HD12 ILE 82 1HD1 ILE 82 2.340 -3.168 -12.253 672 HD13 ILE 82 2HD1 ILE 82 2.422 -4.864 -11.766 673 H ALA 83 H ALA 83 -2.412 -6.758 -11.639 674 HA ALA 83 HA ALA 83 -2.291 -7.576 -8.909 675 HB1 ALA 83 3HB ALA 83 -3.726 -8.702 -10.544 676 HB2 ALA 83 1HB ALA 83 -2.625 -9.839 -9.766 677 HB3 ALA 83 2HB ALA 83 -2.299 -9.278 -11.406 678 H ASP 84 H ASP 84 -0.562 -8.196 -7.720 679 HA ASP 84 HA ASP 84 2.057 -7.830 -8.710 680 HB2 ASP 84 2HB ASP 84 1.242 -7.550 -6.321 681 HB3 ASP 84 1HB ASP 84 1.324 -9.302 -6.172 682 H THR 85 H THR 85 2.855 -9.131 -10.226 683 HA THR 85 HA THR 85 2.262 -11.953 -10.348 684 HB THR 85 HB THR 85 2.438 -10.718 -12.428 685 HG1 THR 85 HG1 THR 85 4.751 -12.338 -12.474 686 HG21 THR 85 3HG2 THR 85 5.345 -10.256 -11.727 687 HG22 THR 85 1HG2 THR 85 4.082 -9.022 -11.728 688 HG23 THR 85 2HG2 THR 85 4.554 -9.804 -13.237 689 H VAL 86 H VAL 86 5.000 -9.998 -9.292 690 HA VAL 86 HA VAL 86 6.929 -12.099 -9.462 691 HB VAL 86 HB VAL 86 8.466 -10.636 -8.284 692 HG11 VAL 86 1HG1 VAL 86 6.790 -9.109 -10.281 693 HG12 VAL 86 2HG1 VAL 86 8.106 -10.222 -10.657 694 HG13 VAL 86 3HG1 VAL 86 8.444 -8.713 -9.808 695 HG21 VAL 86 3HG2 VAL 86 7.798 -8.449 -7.414 696 HG22 VAL 86 1HG2 VAL 86 6.937 -9.745 -6.582 697 HG23 VAL 86 2HG2 VAL 86 6.113 -8.791 -7.814 698 H ALA 87 H ALA 87 4.858 -10.894 -6.866 699 HA ALA 87 HA ALA 87 6.021 -12.179 -4.686 700 HB1 ALA 87 3HB ALA 87 4.234 -10.518 -4.481 701 HB2 ALA 87 1HB ALA 87 3.851 -11.991 -3.591 702 HB3 ALA 87 2HB ALA 87 3.079 -11.674 -5.145 703 H THR 88 H THR 88 3.337 -13.421 -6.723 704 HA THR 88 HA THR 88 3.416 -16.008 -5.487 705 HB THR 88 HB THR 88 1.330 -15.217 -6.475 706 HG1 THR 88 HG1 THR 88 2.148 -17.580 -6.548 707 HG21 THR 88 3HG2 THR 88 2.745 -15.449 -9.141 708 HG22 THR 88 1HG2 THR 88 2.218 -13.950 -8.373 709 HG23 THR 88 2HG2 THR 88 1.025 -15.131 -8.912 710 H ALA 89 H ALA 89 5.021 -14.582 -8.248 711 HA ALA 89 HA ALA 89 5.835 -16.926 -9.571 712 HB1 ALA 89 3HB ALA 89 7.569 -15.560 -10.602 713 HB2 ALA 89 1HB ALA 89 7.314 -14.296 -9.397 714 HB3 ALA 89 2HB ALA 89 6.040 -14.683 -10.553 715 H THR 90 H THR 90 7.337 -15.135 -6.896 716 HA THR 90 HA THR 90 9.476 -17.116 -6.681 717 HB THR 90 HB THR 90 10.112 -14.787 -6.359 718 HG1 THR 90 HG1 THR 90 11.172 -15.079 -4.310 719 HG21 THR 90 3HG2 THR 90 8.266 -14.824 -3.965 720 HG22 THR 90 1HG2 THR 90 8.024 -13.899 -5.446 721 HG23 THR 90 2HG2 THR 90 9.378 -13.522 -4.383 722 H TYR 91 H TYR 91 6.592 -16.116 -4.886 723 HA TYR 91 HA TYR 91 7.012 -18.350 -3.007 724 HB2 TYR 91 2HB TYR 91 5.075 -16.024 -2.803 725 HB3 TYR 91 1HB TYR 91 5.280 -17.293 -1.600 726 HD1 TYR 91 HD2 TYR 91 7.878 -17.583 -0.859 727 HD2 TYR 91 HD1 TYR 91 6.109 -14.007 -2.345 728 HE1 TYR 91 HE2 TYR 91 9.639 -16.263 0.238 729 HE2 TYR 91 HE1 TYR 91 7.862 -12.677 -1.256 730 HH TYR 91 HH TYR 91 9.463 -12.852 0.556 731 H GLN 92 H GLN 92 6.235 -20.138 -4.018 732 HA GLN 92 HA GLN 92 3.753 -20.035 -5.529 733 HB2 GLN 92 2HB GLN 92 4.220 -22.367 -6.121 734 HB3 GLN 92 1HB GLN 92 5.590 -21.326 -6.464 735 HG2 GLN 92 2HG GLN 92 5.411 -22.983 -3.958 736 HG3 GLN 92 1HG GLN 92 6.082 -23.607 -5.460 737 HE21 GLN 92 1HE2 GLN 92 8.038 -22.744 -6.223 738 HE22 GLN 92 2HE2 GLN 92 9.103 -21.861 -5.192 739 H GLY 93 H GLY 93 4.513 -20.455 -2.311 740 HA2 GLY 93 2HA GLY 93 2.603 -22.481 -1.605 741 HA3 GLY 93 1HA GLY 93 3.405 -21.372 -0.505 742 H ALA 94 H ALA 94 0.718 -22.109 -0.209 743 HA ALA 94 HA ALA 94 -0.939 -19.979 -1.311 744 HB1 ALA 94 3HB ALA 94 -1.816 -22.267 -1.167 745 HB2 ALA 94 1HB ALA 94 -2.803 -21.126 -0.255 746 HB3 ALA 94 2HB ALA 94 -1.690 -22.204 0.591 747 H ASP 95 H ASP 95 1.102 -20.176 1.289 748 HA ASP 95 HA ASP 95 -0.247 -19.051 3.447 749 HB2 ASP 95 2HB ASP 95 2.000 -19.942 3.653 750 HB3 ASP 95 1HB ASP 95 2.633 -18.705 2.571 751 H VAL 96 H VAL 96 1.325 -17.412 0.720 752 HA VAL 96 HA VAL 96 0.809 -14.779 1.818 753 HB VAL 96 HB VAL 96 1.922 -15.542 -0.897 754 HG11 VAL 96 1HG1 VAL 96 1.051 -13.266 -0.872 755 HG12 VAL 96 2HG1 VAL 96 2.815 -13.248 -0.928 756 HG13 VAL 96 3HG1 VAL 96 1.979 -12.909 0.588 757 HG21 VAL 96 3HG2 VAL 96 4.127 -15.092 0.082 758 HG22 VAL 96 1HG2 VAL 96 3.312 -16.416 0.913 759 HG23 VAL 96 2HG2 VAL 96 3.375 -14.815 1.653 760 H ASP 97 H ASP 97 -1.235 -13.955 1.696 761 HA ASP 97 HA ASP 97 -3.053 -14.535 -0.440 762 HB2 ASP 97 2HB ASP 97 -3.464 -13.574 2.028 763 HB3 ASP 97 1HB ASP 97 -3.375 -12.033 1.179 764 H TRP 98 H TRP 98 -3.925 -12.676 -1.912 765 HA TRP 98 HA TRP 98 -1.531 -12.019 -3.392 766 HB2 TRP 98 2HB TRP 98 -2.928 -11.605 -5.287 767 HB3 TRP 98 1HB TRP 98 -3.477 -13.073 -4.497 768 HD1 TRP 98 HD1 TRP 98 -5.476 -11.915 -2.363 769 HE1 TRP 98 HE1 TRP 98 -7.664 -10.807 -3.120 770 HE3 TRP 98 HE3 TRP 98 -4.158 -10.717 -7.153 771 HZ2 TRP 98 HZ2 TRP 98 -8.705 -9.585 -5.449 772 HZ3 TRP 98 HZ3 TRP 98 -5.805 -9.576 -8.584 773 HH2 TRP 98 HH2 TRP 98 -8.036 -9.025 -7.748 774 H TYR 99 H TYR 99 -0.790 -10.110 -4.087 775 HA TYR 99 HA TYR 99 -1.813 -7.687 -2.768 776 HB2 TYR 99 2HB TYR 99 0.938 -8.379 -3.837 777 HB3 TYR 99 1HB TYR 99 0.490 -6.767 -3.292 778 HD1 TYR 99 HD1 TYR 99 0.704 -10.314 -2.111 779 HD2 TYR 99 HD2 TYR 99 0.747 -6.191 -1.032 780 HE1 TYR 99 HE1 TYR 99 1.319 -10.921 0.193 781 HE2 TYR 99 HE2 TYR 99 1.362 -6.795 1.268 782 HH TYR 99 HH TYR 99 2.465 -9.837 2.154 783 H ILE 100 H ILE 100 -2.139 -5.791 -3.963 784 HA ILE 100 HA ILE 100 -1.851 -5.990 -6.899 785 HB ILE 100 HB ILE 100 -4.013 -4.443 -5.431 786 HG12 ILE 100 2HG1 ILE 100 -4.173 -7.054 -6.976 787 HG13 ILE 100 1HG1 ILE 100 -4.427 -6.846 -5.246 788 HG21 ILE 100 1HG2 ILE 100 -3.600 -4.950 -8.384 789 HG22 ILE 100 2HG2 ILE 100 -3.350 -3.415 -7.549 790 HG23 ILE 100 3HG2 ILE 100 -4.972 -4.101 -7.668 791 HD11 ILE 100 3HD1 ILE 100 -6.163 -5.756 -7.450 792 HD12 ILE 100 1HD1 ILE 100 -6.398 -5.456 -5.727 793 HD13 ILE 100 2HD1 ILE 100 -6.538 -7.094 -6.363 794 H LYS 101 H LYS 101 -0.262 -4.659 -7.546 795 HA LYS 101 HA LYS 101 0.581 -2.449 -5.848 796 HB2 LYS 101 2HB LYS 101 1.755 -3.246 -8.522 797 HB3 LYS 101 1HB LYS 101 2.523 -2.307 -7.247 798 HG2 LYS 101 2HG LYS 101 2.499 -4.305 -5.792 799 HG3 LYS 101 1HG LYS 101 1.793 -5.235 -7.115 800 HD2 LYS 101 2HD LYS 101 4.108 -5.705 -7.173 801 HD3 LYS 101 1HD LYS 101 3.832 -4.559 -8.486 802 HE2 LYS 101 2HE LYS 101 5.826 -3.911 -7.318 803 HE3 LYS 101 1HE LYS 101 4.567 -2.729 -6.958 804 HZ1 LYS 101 3HZ LYS 101 5.765 -3.320 -4.968 805 HZ2 LYS 101 1HZ LYS 101 5.428 -4.961 -5.199 806 HZ3 LYS 101 2HZ LYS 101 4.178 -3.883 -4.848 807 H ALA 102 H ALA 102 0.258 -0.287 -6.269 808 HA ALA 102 HA ALA 102 -1.187 0.383 -8.764 809 HB1 ALA 102 3HB ALA 102 -2.659 1.868 -7.507 810 HB2 ALA 102 1HB ALA 102 -1.854 1.410 -6.004 811 HB3 ALA 102 2HB ALA 102 -2.776 0.212 -6.910 812 H ASP 103 H ASP 103 -0.927 2.471 -9.589 813 HA ASP 103 HA ASP 103 1.570 3.749 -9.082 814 HB2 ASP 103 2HB ASP 103 0.505 3.708 -11.307 815 HB3 ASP 103 1HB ASP 103 -0.820 4.692 -10.692 816 H ASP 104 H ASP 104 -1.732 4.309 -8.045 817 HA ASP 104 HA ASP 104 -0.889 5.859 -5.809 818 HB2 ASP 104 2HB ASP 104 -0.761 7.631 -7.502 819 HB3 ASP 104 1HB ASP 104 -2.427 7.318 -7.977 820 H ILE 105 H ILE 105 -2.719 6.523 -4.421 821 HA ILE 105 HA ILE 105 -5.129 4.857 -4.852 822 HB ILE 105 HB ILE 105 -3.814 5.424 -2.179 823 HG12 ILE 105 2HG1 ILE 105 -3.873 2.881 -3.831 824 HG13 ILE 105 1HG1 ILE 105 -2.456 3.867 -3.488 825 HG21 ILE 105 1HG2 ILE 105 -6.240 5.191 -2.010 826 HG22 ILE 105 2HG2 ILE 105 -5.435 3.802 -1.283 827 HG23 ILE 105 3HG2 ILE 105 -6.167 3.659 -2.880 828 HD11 ILE 105 3HD1 ILE 105 -2.479 1.882 -2.107 829 HD12 ILE 105 1HD1 ILE 105 -4.066 2.316 -1.469 830 HD13 ILE 105 2HD1 ILE 105 -2.664 3.324 -1.110 831 H VAL 106 H VAL 106 -6.882 6.107 -5.102 832 HA VAL 106 HA VAL 106 -7.105 8.599 -3.521 833 HB VAL 106 HB VAL 106 -8.384 9.608 -5.368 834 HG11 VAL 106 1HG1 VAL 106 -5.993 10.049 -5.244 835 HG12 VAL 106 2HG1 VAL 106 -6.522 9.979 -6.925 836 HG13 VAL 106 3HG1 VAL 106 -5.660 8.613 -6.215 837 HG21 VAL 106 3HG2 VAL 106 -8.429 8.555 -7.588 838 HG22 VAL 106 1HG2 VAL 106 -9.276 7.577 -6.390 839 HG23 VAL 106 2HG2 VAL 106 -7.660 7.114 -6.920 840 H LEU 107 H LEU 107 -9.460 9.351 -3.384 841 HA LEU 107 HA LEU 107 -11.136 7.220 -2.442 842 HB2 LEU 107 2HB LEU 107 -11.662 10.174 -2.832 843 HB3 LEU 107 1HB LEU 107 -12.819 9.064 -2.121 844 HG LEU 107 HG LEU 107 -10.083 9.656 -0.971 845 HD11 LEU 107 1HD1 LEU 107 -11.298 10.926 0.743 846 HD12 LEU 107 2HD1 LEU 107 -12.801 10.680 -0.146 847 HD13 LEU 107 3HD1 LEU 107 -11.498 11.627 -0.862 848 HD21 LEU 107 3HD2 LEU 107 -10.922 7.432 -0.396 849 HD22 LEU 107 1HD2 LEU 107 -12.437 8.139 0.168 850 HD23 LEU 107 2HD2 LEU 107 -10.927 8.494 1.011 851 H THR 108 H THR 108 -13.046 6.430 -3.352 852 HA THR 108 HA THR 108 -13.272 6.389 -6.177 853 HB THR 108 HB THR 108 -15.441 5.654 -4.186 854 HG1 THR 108 HG1 THR 108 -13.355 4.039 -5.284 855 HG21 THR 108 3HG2 THR 108 -16.250 5.804 -6.486 856 HG22 THR 108 1HG2 THR 108 -16.194 4.119 -5.962 857 HG23 THR 108 2HG2 THR 108 -14.938 4.753 -7.030 858 H LEU 109 H LEU 109 -14.814 7.347 -7.558 859 HA LEU 109 HA LEU 109 -15.586 10.002 -6.987 860 HB2 LEU 109 2HB LEU 109 -16.619 8.165 -9.150 861 HB3 LEU 109 1HB LEU 109 -16.777 9.913 -9.129 862 HG LEU 109 HG LEU 109 -14.171 8.386 -9.311 863 HD11 LEU 109 1HD1 LEU 109 -15.449 8.205 -11.360 864 HD12 LEU 109 2HD1 LEU 109 -14.072 9.284 -11.595 865 HD13 LEU 109 3HD1 LEU 109 -15.691 9.953 -11.390 866 HD21 LEU 109 3HD2 LEU 109 -14.700 11.358 -9.437 867 HD22 LEU 109 1HD2 LEU 109 -13.145 10.571 -9.717 868 HD23 LEU 109 2HD2 LEU 109 -13.895 10.501 -8.122 869 H GLU 110 H GLU 110 -16.975 7.303 -5.713 870 HA GLU 110 HA GLU 110 -19.750 8.108 -5.809 871 HB2 GLU 110 2HB GLU 110 -18.356 5.972 -4.175 872 HB3 GLU 110 1HB GLU 110 -20.099 6.204 -4.249 873 HG2 GLU 110 2HG GLU 110 -18.348 5.537 -6.613 874 HG3 GLU 110 1HG GLU 110 -19.276 4.364 -5.682 Start of MODEL 8 1 H1 MET 1 1H MET 1 12.585 12.263 -11.135 2 H2 MET 1 2H MET 1 11.460 12.952 -10.082 3 H3 MET 1 3H MET 1 11.833 13.722 -11.541 4 HA MET 1 HA MET 1 9.701 12.633 -11.681 5 HB2 MET 1 2HB MET 1 11.063 12.791 -13.713 6 HB3 MET 1 1HB MET 1 11.857 11.275 -13.316 7 HG2 MET 1 2HG MET 1 9.702 10.106 -13.526 8 HG3 MET 1 1HG MET 1 8.934 11.633 -13.962 9 HE1 MET 1 3HE MET 1 8.709 8.992 -15.732 10 HE2 MET 1 1HE MET 1 8.964 9.635 -17.353 11 HE3 MET 1 2HE MET 1 7.961 10.519 -16.202 12 H MET 2 H MET 2 8.469 11.180 -10.675 13 HA MET 2 HA MET 2 9.545 8.887 -9.337 14 HB2 MET 2 2HB MET 2 6.696 9.740 -9.913 15 HB3 MET 2 1HB MET 2 7.118 8.341 -8.934 16 HG2 MET 2 2HG MET 2 6.568 10.254 -7.547 17 HG3 MET 2 1HG MET 2 8.253 9.780 -7.334 18 HE1 MET 2 3HE MET 2 8.612 12.120 -6.096 19 HE2 MET 2 1HE MET 2 6.946 12.594 -6.418 20 HE3 MET 2 2HE MET 2 8.267 13.684 -6.837 21 H ARG 3 H ARG 3 8.308 6.702 -9.696 22 HA ARG 3 HA ARG 3 8.588 5.966 -12.513 23 HB2 ARG 3 2HB ARG 3 9.748 4.572 -10.917 24 HB3 ARG 3 1HB ARG 3 8.276 4.327 -9.989 25 HG2 ARG 3 2HG ARG 3 7.316 3.003 -11.761 26 HG3 ARG 3 1HG ARG 3 8.689 3.350 -12.816 27 HD2 ARG 3 2HD ARG 3 8.684 1.087 -11.641 28 HD3 ARG 3 1HD ARG 3 10.157 2.048 -11.510 29 HE ARG 3 HE ARG 3 9.738 2.370 -9.254 30 HH11 ARG 3 1HH1 ARG 3 7.108 0.681 -10.700 31 HH12 ARG 3 2HH1 ARG 3 6.395 0.278 -9.178 32 HH21 ARG 3 1HH2 ARG 3 8.805 1.845 -7.319 33 HH22 ARG 3 2HH2 ARG 3 7.351 0.908 -7.297 34 H LEU 4 H LEU 4 6.731 6.825 -13.425 35 HA LEU 4 HA LEU 4 4.128 6.433 -12.269 36 HB2 LEU 4 2HB LEU 4 4.983 7.558 -14.941 37 HB3 LEU 4 1HB LEU 4 3.315 7.476 -14.413 38 HG LEU 4 HG LEU 4 4.022 9.698 -14.040 39 HD11 LEU 4 1HD1 LEU 4 4.155 8.256 -11.395 40 HD12 LEU 4 2HD1 LEU 4 2.689 8.755 -12.237 41 HD13 LEU 4 3HD1 LEU 4 3.812 9.972 -11.631 42 HD21 LEU 4 3HD2 LEU 4 6.439 8.614 -12.588 43 HD22 LEU 4 1HD2 LEU 4 6.012 10.317 -12.764 44 HD23 LEU 4 2HD2 LEU 4 6.433 9.363 -14.184 45 H ALA 5 H ALA 5 2.635 4.918 -12.702 46 HA ALA 5 HA ALA 5 3.327 2.711 -14.460 47 HB1 ALA 5 3HB ALA 5 2.330 2.282 -12.263 48 HB2 ALA 5 1HB ALA 5 1.328 1.636 -13.565 49 HB3 ALA 5 2HB ALA 5 0.870 3.137 -12.757 50 H ASN 6 H ASN 6 3.173 3.414 -16.589 51 HA ASN 6 HA ASN 6 0.656 4.619 -17.490 52 HB2 ASN 6 2HB ASN 6 2.677 5.717 -18.273 53 HB3 ASN 6 1HB ASN 6 3.281 4.204 -18.945 54 HD21 ASN 6 1HD2 ASN 6 3.424 5.110 -21.003 55 HD22 ASN 6 2HD2 ASN 6 2.025 5.420 -21.968 56 H GLY 7 H GLY 7 -0.916 3.339 -18.140 57 HA2 GLY 7 2HA GLY 7 -0.381 1.164 -20.011 58 HA3 GLY 7 1HA GLY 7 -1.134 0.704 -18.488 59 H ILE 8 H ILE 8 -1.540 3.182 -21.030 60 HA ILE 8 HA ILE 8 -4.257 3.684 -20.495 61 HB ILE 8 HB ILE 8 -4.317 4.785 -22.724 62 HG12 ILE 8 2HG1 ILE 8 -1.460 3.781 -22.943 63 HG13 ILE 8 1HG1 ILE 8 -2.812 3.253 -23.938 64 HG21 ILE 8 1HG2 ILE 8 -3.563 6.008 -20.763 65 HG22 ILE 8 2HG2 ILE 8 -2.658 6.518 -22.186 66 HG23 ILE 8 3HG2 ILE 8 -1.913 5.434 -21.010 67 HD11 ILE 8 3HD1 ILE 8 -3.006 5.515 -24.860 68 HD12 ILE 8 1HD1 ILE 8 -1.409 4.820 -25.138 69 HD13 ILE 8 2HD1 ILE 8 -1.636 6.026 -23.871 70 H VAL 9 H VAL 9 -6.097 2.698 -21.059 71 HA VAL 9 HA VAL 9 -6.119 0.713 -23.220 72 HB VAL 9 HB VAL 9 -5.607 -0.497 -21.099 73 HG11 VAL 9 1HG1 VAL 9 -8.340 0.456 -20.221 74 HG12 VAL 9 2HG1 VAL 9 -6.792 0.936 -19.525 75 HG13 VAL 9 3HG1 VAL 9 -7.342 -0.733 -19.378 76 HG21 VAL 9 3HG2 VAL 9 -8.329 -1.151 -22.254 77 HG22 VAL 9 1HG2 VAL 9 -7.280 -2.259 -21.365 78 HG23 VAL 9 2HG2 VAL 9 -6.776 -1.639 -22.937 79 H LEU 10 H LEU 10 -8.327 0.071 -23.850 80 HA LEU 10 HA LEU 10 -10.329 2.137 -23.197 81 HB2 LEU 10 2HB LEU 10 -11.285 1.811 -25.450 82 HB3 LEU 10 1HB LEU 10 -9.655 2.448 -25.476 83 HG LEU 10 HG LEU 10 -10.162 -0.497 -25.884 84 HD11 LEU 10 1HD1 LEU 10 -11.570 0.659 -27.502 85 HD12 LEU 10 2HD1 LEU 10 -10.194 -0.097 -28.304 86 HD13 LEU 10 3HD1 LEU 10 -10.201 1.645 -28.017 87 HD21 LEU 10 3HD2 LEU 10 -7.951 1.355 -26.791 88 HD22 LEU 10 1HD2 LEU 10 -8.059 -0.369 -27.148 89 HD23 LEU 10 2HD2 LEU 10 -7.845 0.175 -25.488 90 H ASP 11 H ASP 11 -10.030 -1.261 -24.281 91 HA ASP 11 HA ASP 11 -12.664 -1.899 -23.224 92 HB2 ASP 11 2HB ASP 11 -11.634 -2.930 -25.334 93 HB3 ASP 11 1HB ASP 11 -10.589 -3.848 -24.256 94 H LYS 12 H LYS 12 -12.998 -2.498 -21.152 95 HA LYS 12 HA LYS 12 -10.969 -3.952 -19.663 96 HB2 LYS 12 2HB LYS 12 -11.183 -2.206 -17.751 97 HB3 LYS 12 1HB LYS 12 -10.099 -1.871 -19.096 98 HG2 LYS 12 2HG LYS 12 -11.905 -0.511 -20.133 99 HG3 LYS 12 1HG LYS 12 -12.867 -0.752 -18.675 100 HD2 LYS 12 2HD LYS 12 -10.095 0.434 -18.586 101 HD3 LYS 12 1HD LYS 12 -11.525 1.428 -18.858 102 HE2 LYS 12 2HE LYS 12 -11.163 -0.384 -16.470 103 HE3 LYS 12 1HE LYS 12 -10.750 1.330 -16.479 104 HZ1 LYS 12 3HZ LYS 12 -12.942 0.973 -15.551 105 HZ2 LYS 12 1HZ LYS 12 -13.451 0.202 -16.965 106 HZ3 LYS 12 2HZ LYS 12 -13.056 1.842 -16.993 107 H ASP 13 H ASP 13 -11.868 -5.395 -18.396 108 HA ASP 13 HA ASP 13 -14.740 -5.452 -18.029 109 HB2 ASP 13 2HB ASP 13 -12.613 -7.469 -17.256 110 HB3 ASP 13 1HB ASP 13 -14.354 -7.736 -17.184 111 H THR 14 H THR 14 -15.706 -4.708 -16.269 112 HA THR 14 HA THR 14 -14.294 -3.890 -13.916 113 HB THR 14 HB THR 14 -16.583 -3.482 -12.951 114 HG1 THR 14 HG1 THR 14 -18.330 -4.126 -14.007 115 HG21 THR 14 3HG2 THR 14 -15.385 -1.741 -14.232 116 HG22 THR 14 1HG2 THR 14 -17.133 -1.629 -14.430 117 HG23 THR 14 2HG2 THR 14 -16.144 -2.326 -15.711 118 H THR 15 H THR 15 -13.306 -6.107 -13.664 119 HA THR 15 HA THR 15 -14.964 -8.192 -12.537 120 HB THR 15 HB THR 15 -13.052 -8.872 -13.854 121 HG1 THR 15 HG1 THR 15 -13.534 -10.314 -12.218 122 HG21 THR 15 3HG2 THR 15 -10.746 -8.469 -13.155 123 HG22 THR 15 1HG2 THR 15 -11.312 -7.527 -11.775 124 HG23 THR 15 2HG2 THR 15 -11.582 -6.937 -13.413 125 H PHE 16 H PHE 16 -12.732 -5.757 -11.287 126 HA PHE 16 HA PHE 16 -12.832 -6.714 -8.580 127 HB2 PHE 16 2HB PHE 16 -11.862 -4.103 -9.766 128 HB3 PHE 16 1HB PHE 16 -11.790 -4.467 -8.045 129 HD1 PHE 16 HD1 PHE 16 -10.298 -6.232 -7.206 130 HD2 PHE 16 HD2 PHE 16 -10.318 -5.097 -11.314 131 HE1 PHE 16 HE1 PHE 16 -8.124 -7.342 -7.520 132 HE2 PHE 16 HE2 PHE 16 -8.149 -6.213 -11.633 133 HZ PHE 16 HZ PHE 16 -7.048 -7.335 -9.734 134 H GLY 17 H GLY 17 -14.708 -6.656 -7.466 135 HA2 GLY 17 2HA GLY 17 -16.808 -4.805 -7.832 136 HA3 GLY 17 1HA GLY 17 -16.556 -5.790 -6.398 137 H GLU 18 H GLU 18 -17.574 -3.337 -5.982 138 HA GLU 18 HA GLU 18 -16.061 -1.076 -5.864 139 HB2 GLU 18 2HB GLU 18 -18.017 -2.049 -3.765 140 HB3 GLU 18 1HB GLU 18 -17.456 -0.388 -3.921 141 HG2 GLU 18 2HG GLU 18 -18.559 -0.114 -6.003 142 HG3 GLU 18 1HG GLU 18 -18.874 -1.843 -6.141 143 H LEU 19 H LEU 19 -14.006 -0.898 -5.210 144 HA LEU 19 HA LEU 19 -12.910 -2.398 -3.013 145 HB2 LEU 19 2HB LEU 19 -11.735 -0.112 -4.608 146 HB3 LEU 19 1HB LEU 19 -10.847 -1.113 -3.473 147 HG LEU 19 HG LEU 19 -12.105 -2.065 -6.056 148 HD11 LEU 19 1HD1 LEU 19 -9.210 -1.630 -5.313 149 HD12 LEU 19 2HD1 LEU 19 -10.157 -0.662 -6.442 150 HD13 LEU 19 3HD1 LEU 19 -9.792 -2.345 -6.818 151 HD21 LEU 19 3HD2 LEU 19 -12.107 -3.799 -4.313 152 HD22 LEU 19 1HD2 LEU 19 -10.373 -3.567 -4.084 153 HD23 LEU 19 2HD2 LEU 19 -10.987 -4.181 -5.619 154 H LYS 20 H LYS 20 -12.599 -1.755 -0.943 155 HA LYS 20 HA LYS 20 -13.193 1.030 -0.213 156 HB2 LYS 20 2HB LYS 20 -14.506 -1.448 0.908 157 HB3 LYS 20 1HB LYS 20 -14.528 0.098 1.748 158 HG2 LYS 20 2HG LYS 20 -15.841 1.117 0.093 159 HG3 LYS 20 1HG LYS 20 -15.506 -0.154 -1.084 160 HD2 LYS 20 2HD LYS 20 -16.988 -0.746 1.467 161 HD3 LYS 20 1HD LYS 20 -17.825 -0.095 0.057 162 HE2 LYS 20 2HE LYS 20 -18.009 -2.512 0.081 163 HE3 LYS 20 1HE LYS 20 -17.018 -2.003 -1.281 164 HZ1 LYS 20 3HZ LYS 20 -15.927 -2.970 1.302 165 HZ2 LYS 20 1HZ LYS 20 -15.054 -2.652 -0.110 166 HZ3 LYS 20 2HZ LYS 20 -16.140 -3.943 -0.059 167 H PHE 21 H PHE 21 -12.082 1.818 1.536 168 HA PHE 21 HA PHE 21 -9.601 0.598 2.133 169 HB2 PHE 21 2HB PHE 21 -9.951 3.040 2.122 170 HB3 PHE 21 1HB PHE 21 -10.975 2.900 3.548 171 HD1 PHE 21 HD1 PHE 21 -7.518 2.481 2.296 172 HD2 PHE 21 HD2 PHE 21 -10.032 2.799 5.722 173 HE1 PHE 21 HE1 PHE 21 -5.531 2.734 3.726 174 HE2 PHE 21 HE2 PHE 21 -8.050 3.051 7.156 175 HZ PHE 21 HZ PHE 21 -5.796 3.019 6.161 176 H SER 22 H SER 22 -8.899 -0.643 3.800 177 HA SER 22 HA SER 22 -10.826 -1.285 5.956 178 HB2 SER 22 2HB SER 22 -8.599 -3.050 4.886 179 HB3 SER 22 1HB SER 22 -9.774 -3.487 6.126 180 HG SER 22 HG SER 22 -10.056 -4.013 3.676 181 H ALA 23 H ALA 23 -7.291 -1.487 5.407 182 HA ALA 23 HA ALA 23 -6.698 0.131 7.722 183 HB1 ALA 23 3HB ALA 23 -6.042 -2.821 7.815 184 HB2 ALA 23 1HB ALA 23 -7.241 -1.995 8.813 185 HB3 ALA 23 2HB ALA 23 -5.529 -1.611 8.992 186 H LEU 24 H LEU 24 -4.147 -0.273 8.224 187 HA LEU 24 HA LEU 24 -2.722 -0.259 5.643 188 HB2 LEU 24 2HB LEU 24 -2.366 1.675 7.135 189 HB3 LEU 24 1HB LEU 24 -1.802 0.599 8.400 190 HG LEU 24 HG LEU 24 0.096 -0.071 6.906 191 HD11 LEU 24 1HD1 LEU 24 0.617 1.311 4.971 192 HD12 LEU 24 2HD1 LEU 24 -0.892 2.199 5.184 193 HD13 LEU 24 3HD1 LEU 24 -0.930 0.486 4.770 194 HD21 LEU 24 3HD2 LEU 24 0.406 1.595 8.662 195 HD22 LEU 24 1HD2 LEU 24 -0.103 2.874 7.558 196 HD23 LEU 24 2HD2 LEU 24 1.388 1.980 7.249 197 H ARG 25 H ARG 25 -1.462 -1.963 5.077 198 HA ARG 25 HA ARG 25 -1.375 -4.280 6.792 199 HB2 ARG 25 2HB ARG 25 -1.759 -4.574 4.415 200 HB3 ARG 25 1HB ARG 25 -0.242 -3.773 4.031 201 HG2 ARG 25 2HG ARG 25 0.096 -6.111 3.746 202 HG3 ARG 25 1HG ARG 25 0.953 -5.634 5.211 203 HD2 ARG 25 2HD ARG 25 -0.271 -7.765 5.469 204 HD3 ARG 25 1HD ARG 25 -0.832 -6.523 6.591 205 HE ARG 25 HE ARG 25 -2.596 -6.176 4.705 206 HH11 ARG 25 1HH1 ARG 25 -1.359 -9.202 5.793 207 HH12 ARG 25 2HH1 ARG 25 -2.817 -10.045 5.419 208 HH21 ARG 25 1HH2 ARG 25 -4.427 -7.234 4.229 209 HH22 ARG 25 2HH2 ARG 25 -4.560 -8.933 4.551 210 H ARG 26 H ARG 26 1.255 -2.584 5.036 211 HA ARG 26 HA ARG 26 3.071 -2.755 7.254 212 HB2 ARG 26 2HB ARG 26 3.081 -5.093 6.669 213 HB3 ARG 26 1HB ARG 26 3.324 -4.719 4.969 214 HG2 ARG 26 2HG ARG 26 5.559 -3.957 5.386 215 HG3 ARG 26 1HG ARG 26 5.329 -4.083 7.130 216 HD2 ARG 26 2HD ARG 26 5.240 -6.397 5.190 217 HD3 ARG 26 1HD ARG 26 6.624 -5.969 6.197 218 HE ARG 26 HE ARG 26 4.645 -6.265 8.009 219 HH11 ARG 26 1HH1 ARG 26 5.670 -8.284 5.411 220 HH12 ARG 26 2HH1 ARG 26 5.314 -9.747 6.257 221 HH21 ARG 26 1HH2 ARG 26 4.183 -8.157 9.089 222 HH22 ARG 26 2HH2 ARG 26 4.490 -9.672 8.313 223 H GLU 27 H GLU 27 4.917 -1.549 6.959 224 HA GLU 27 HA GLU 27 5.259 -0.221 4.345 225 HB2 GLU 27 2HB GLU 27 6.304 0.588 7.075 226 HB3 GLU 27 1HB GLU 27 6.534 1.489 5.581 227 HG2 GLU 27 2HG GLU 27 4.131 1.859 5.415 228 HG3 GLU 27 1HG GLU 27 3.873 0.913 6.879 229 H VAL 28 H VAL 28 6.646 -1.449 3.147 230 HA VAL 28 HA VAL 28 8.848 -2.872 4.341 231 HB VAL 28 HB VAL 28 9.477 -3.460 1.998 232 HG11 VAL 28 1HG1 VAL 28 7.520 -4.884 1.583 233 HG12 VAL 28 2HG1 VAL 28 6.588 -3.937 2.745 234 HG13 VAL 28 3HG1 VAL 28 7.977 -4.882 3.286 235 HG21 VAL 28 3HG2 VAL 28 8.668 -1.442 0.858 236 HG22 VAL 28 1HG2 VAL 28 7.005 -1.884 1.249 237 HG23 VAL 28 2HG2 VAL 28 7.955 -2.898 0.164 238 H ARG 29 H ARG 29 10.626 -1.874 5.013 239 HA ARG 29 HA ARG 29 11.357 0.715 3.886 240 HB2 ARG 29 2HB ARG 29 12.521 -0.673 6.305 241 HB3 ARG 29 1HB ARG 29 12.715 1.019 5.858 242 HG2 ARG 29 2HG ARG 29 10.286 1.350 6.155 243 HG3 ARG 29 1HG ARG 29 10.145 -0.329 6.678 244 HD2 ARG 29 2HD ARG 29 10.235 0.919 8.659 245 HD3 ARG 29 1HD ARG 29 11.853 0.249 8.471 246 HE ARG 29 HE ARG 29 11.663 2.847 7.334 247 HH11 ARG 29 1HH1 ARG 29 12.003 1.174 10.330 248 HH12 ARG 29 2HH1 ARG 29 12.693 2.540 11.133 249 HH21 ARG 29 1HH2 ARG 29 12.541 4.588 8.378 250 HH22 ARG 29 2HH2 ARG 29 13.018 4.441 10.033 251 H ILE 30 H ILE 30 13.809 1.171 3.809 252 HA ILE 30 HA ILE 30 14.971 -0.721 1.948 253 HB ILE 30 HB ILE 30 16.148 1.858 3.025 254 HG12 ILE 30 2HG1 ILE 30 14.572 1.343 0.482 255 HG13 ILE 30 1HG1 ILE 30 14.009 2.257 1.878 256 HG21 ILE 30 1HG2 ILE 30 16.913 0.174 0.633 257 HG22 ILE 30 2HG2 ILE 30 17.863 0.425 2.099 258 HG23 ILE 30 3HG2 ILE 30 17.572 1.770 0.997 259 HD11 ILE 30 3HD1 ILE 30 15.778 3.911 1.484 260 HD12 ILE 30 1HD1 ILE 30 14.690 3.746 0.107 261 HD13 ILE 30 2HD1 ILE 30 16.290 3.006 0.059 262 H GLN 31 H GLN 31 16.838 -1.957 2.251 263 HA GLN 31 HA GLN 31 17.873 -2.089 5.015 264 HB2 GLN 31 2HB GLN 31 16.788 -4.161 4.175 265 HB3 GLN 31 1HB GLN 31 17.982 -4.242 2.884 266 HG2 GLN 31 2HG GLN 31 19.758 -4.549 4.490 267 HG3 GLN 31 1HG GLN 31 18.633 -4.318 5.827 268 HE21 GLN 31 1HE2 GLN 31 19.049 -6.303 6.729 269 HE22 GLN 31 2HE2 GLN 31 18.535 -7.791 6.010 270 H ASN 32 H ASN 32 20.007 -1.762 5.417 271 HA ASN 32 HA ASN 32 21.560 -0.507 3.336 272 HB2 ASN 32 2HB ASN 32 22.299 -1.090 6.214 273 HB3 ASN 32 1HB ASN 32 23.165 -0.016 5.120 274 HD21 ASN 32 1HD2 ASN 32 22.874 1.770 6.409 275 HD22 ASN 32 2HD2 ASN 32 21.336 2.522 6.628 276 H GLU 33 H GLU 33 23.811 -1.003 2.909 277 HA GLU 33 HA GLU 33 24.436 -3.611 2.173 278 HB2 GLU 33 2HB GLU 33 26.352 -1.397 2.963 279 HB3 GLU 33 1HB GLU 33 26.780 -2.831 2.039 280 HG2 GLU 33 2HG GLU 33 25.414 -2.125 0.199 281 HG3 GLU 33 1HG GLU 33 24.776 -0.770 1.130 282 H ASP 34 H ASP 34 25.127 -1.889 5.162 283 HA ASP 34 HA ASP 34 26.732 -3.707 6.505 284 HB2 ASP 34 2HB ASP 34 26.173 -1.417 7.284 285 HB3 ASP 34 1HB ASP 34 24.542 -1.956 7.665 286 H GLY 35 H GLY 35 23.244 -3.750 6.021 287 HA2 GLY 35 2HA GLY 35 22.121 -5.954 6.168 288 HA3 GLY 35 1HA GLY 35 23.040 -6.220 7.645 289 H SER 36 H SER 36 22.718 -3.522 8.621 290 HA SER 36 HA SER 36 20.294 -3.688 10.037 291 HB2 SER 36 2HB SER 36 22.050 -1.266 9.527 292 HB3 SER 36 1HB SER 36 20.784 -1.364 10.751 293 HG SER 36 HG SER 36 23.312 -2.113 10.964 294 H VAL 37 H VAL 37 18.603 -1.921 10.037 295 HA VAL 37 HA VAL 37 17.544 -1.658 7.328 296 HB VAL 37 HB VAL 37 16.237 -0.994 9.985 297 HG11 VAL 37 1HG1 VAL 37 15.203 0.227 8.149 298 HG12 VAL 37 2HG1 VAL 37 14.125 -1.047 8.714 299 HG13 VAL 37 3HG1 VAL 37 15.037 -1.263 7.219 300 HG21 VAL 37 3HG2 VAL 37 15.022 -3.121 9.690 301 HG22 VAL 37 1HG2 VAL 37 16.761 -3.368 9.842 302 HG23 VAL 37 2HG2 VAL 37 15.992 -3.466 8.258 303 H SER 38 H SER 38 16.954 0.306 6.375 304 HA SER 38 HA SER 38 18.323 2.680 7.402 305 HB2 SER 38 2HB SER 38 18.690 2.040 5.035 306 HB3 SER 38 1HB SER 38 16.968 2.257 4.719 307 HG SER 38 HG SER 38 18.442 4.084 4.220 308 H ASP 39 H ASP 39 17.271 4.753 7.423 309 HA ASP 39 HA ASP 39 14.743 4.705 8.699 310 HB2 ASP 39 2HB ASP 39 16.605 6.408 9.017 311 HB3 ASP 39 1HB ASP 39 16.091 7.134 7.498 312 H GLU 40 H GLU 40 15.754 5.248 5.400 313 HA GLU 40 HA GLU 40 13.289 6.337 4.444 314 HB2 GLU 40 2HB GLU 40 15.643 5.104 3.000 315 HB3 GLU 40 1HB GLU 40 14.283 5.860 2.186 316 HG2 GLU 40 2HG GLU 40 15.984 7.308 4.196 317 HG3 GLU 40 1HG GLU 40 16.354 7.274 2.475 318 H ILE 41 H ILE 41 11.794 5.346 3.002 319 HA ILE 41 HA ILE 41 11.462 2.440 3.477 320 HB ILE 41 HB ILE 41 9.298 4.519 3.033 321 HG12 ILE 41 2HG1 ILE 41 10.129 3.086 5.576 322 HG13 ILE 41 1HG1 ILE 41 10.423 4.782 5.215 323 HG21 ILE 41 1HG2 ILE 41 7.738 2.734 3.667 324 HG22 ILE 41 2HG2 ILE 41 9.082 1.594 3.759 325 HG23 ILE 41 3HG2 ILE 41 8.644 2.322 2.212 326 HD11 ILE 41 3HD1 ILE 41 7.717 3.505 5.540 327 HD12 ILE 41 1HD1 ILE 41 8.028 5.207 5.205 328 HD13 ILE 41 2HD1 ILE 41 8.551 4.500 6.733 329 H LYS 42 H LYS 42 10.760 1.100 1.770 330 HA LYS 42 HA LYS 42 11.290 2.048 -0.919 331 HB2 LYS 42 2HB LYS 42 10.431 -0.629 0.195 332 HB3 LYS 42 1HB LYS 42 10.613 -0.339 -1.527 333 HG2 LYS 42 2HG LYS 42 12.837 0.031 0.471 334 HG3 LYS 42 1HG LYS 42 12.552 -1.463 -0.427 335 HD2 LYS 42 2HD LYS 42 12.714 -0.071 -2.541 336 HD3 LYS 42 1HD LYS 42 13.295 1.250 -1.523 337 HE2 LYS 42 2HE LYS 42 15.148 0.009 -2.544 338 HE3 LYS 42 1HE LYS 42 15.176 -0.119 -0.787 339 HZ1 LYS 42 3HZ LYS 42 14.022 -2.184 -2.583 340 HZ2 LYS 42 1HZ LYS 42 14.278 -2.316 -0.920 341 HZ3 LYS 42 2HZ LYS 42 15.594 -2.243 -1.981 342 H GLU 43 H GLU 43 8.484 0.413 0.585 343 HA GLU 43 HA GLU 43 6.626 2.091 -0.919 344 HB2 GLU 43 2HB GLU 43 6.521 -0.938 -1.090 345 HB3 GLU 43 1HB GLU 43 5.368 0.182 -1.810 346 HG2 GLU 43 2HG GLU 43 7.255 1.096 -3.178 347 HG3 GLU 43 1HG GLU 43 8.256 -0.214 -2.564 348 H ARG 44 H ARG 44 4.321 1.595 -0.267 349 HA ARG 44 HA ARG 44 4.149 0.660 2.527 350 HB2 ARG 44 2HB ARG 44 4.197 3.104 2.510 351 HB3 ARG 44 1HB ARG 44 2.877 3.145 1.349 352 HG2 ARG 44 2HG ARG 44 1.331 2.297 2.971 353 HG3 ARG 44 1HG ARG 44 2.634 1.982 4.121 354 HD2 ARG 44 2HD ARG 44 1.888 4.724 3.083 355 HD3 ARG 44 1HD ARG 44 1.327 4.047 4.614 356 HE ARG 44 HE ARG 44 3.769 3.920 5.212 357 HH11 ARG 44 1HH1 ARG 44 2.619 6.276 2.979 358 HH12 ARG 44 2HH1 ARG 44 3.891 7.389 3.332 359 HH21 ARG 44 1HH2 ARG 44 5.375 5.332 5.666 360 HH22 ARG 44 2HH2 ARG 44 5.454 6.856 4.840 361 H THR 45 H THR 45 2.748 -0.970 2.699 362 HA THR 45 HA THR 45 0.837 -1.477 0.536 363 HB THR 45 HB THR 45 1.669 -3.307 2.811 364 HG1 THR 45 HG1 THR 45 2.490 -3.397 0.079 365 HG21 THR 45 3HG2 THR 45 0.195 -3.895 0.231 366 HG22 THR 45 1HG2 THR 45 -0.520 -3.883 1.842 367 HG23 THR 45 2HG2 THR 45 0.698 -5.088 1.428 368 H TYR 46 H TYR 46 -1.273 -1.103 0.748 369 HA TYR 46 HA TYR 46 -2.456 -0.760 3.425 370 HB2 TYR 46 2HB TYR 46 -3.455 0.159 0.715 371 HB3 TYR 46 1HB TYR 46 -4.290 0.424 2.239 372 HD1 TYR 46 HD2 TYR 46 -1.244 1.283 0.316 373 HD2 TYR 46 HD1 TYR 46 -3.715 2.255 3.641 374 HE1 TYR 46 HE2 TYR 46 -0.043 3.409 0.573 375 HE2 TYR 46 HE1 TYR 46 -2.530 4.393 3.902 376 HH TYR 46 HH TYR 46 -0.357 5.592 1.525 377 H ASP 47 H ASP 47 -4.780 -1.424 3.597 378 HA ASP 47 HA ASP 47 -5.301 -3.982 2.212 379 HB2 ASP 47 2HB ASP 47 -6.225 -2.996 4.929 380 HB3 ASP 47 1HB ASP 47 -6.737 -4.511 4.190 381 H LEU 48 H LEU 48 -6.837 -3.803 0.659 382 HA LEU 48 HA LEU 48 -9.146 -2.015 1.183 383 HB2 LEU 48 2HB LEU 48 -7.976 -2.718 -1.517 384 HB3 LEU 48 1HB LEU 48 -9.325 -1.637 -1.220 385 HG LEU 48 HG LEU 48 -6.438 -1.158 -0.444 386 HD11 LEU 48 1HD1 LEU 48 -8.200 0.242 -2.453 387 HD12 LEU 48 2HD1 LEU 48 -6.903 -0.892 -2.831 388 HD13 LEU 48 3HD1 LEU 48 -6.528 0.648 -2.063 389 HD21 LEU 48 3HD2 LEU 48 -7.190 1.053 0.306 390 HD22 LEU 48 1HD2 LEU 48 -7.930 -0.237 1.251 391 HD23 LEU 48 2HD2 LEU 48 -8.863 0.586 0.002 392 H LYS 49 H LYS 49 -11.012 -3.054 1.407 393 HA LYS 49 HA LYS 49 -11.228 -5.830 0.485 394 HB2 LYS 49 2HB LYS 49 -13.205 -5.941 1.976 395 HB3 LYS 49 1HB LYS 49 -11.730 -5.482 2.818 396 HG2 LYS 49 2HG LYS 49 -12.472 -3.096 2.661 397 HG3 LYS 49 1HG LYS 49 -14.005 -3.677 2.006 398 HD2 LYS 49 2HD LYS 49 -12.848 -4.365 4.715 399 HD3 LYS 49 1HD LYS 49 -14.178 -3.246 4.408 400 HE2 LYS 49 2HE LYS 49 -15.510 -5.092 3.486 401 HE3 LYS 49 1HE LYS 49 -14.177 -6.205 3.788 402 HZ1 LYS 49 3HZ LYS 49 -14.386 -5.609 6.177 403 HZ2 LYS 49 1HZ LYS 49 -15.725 -6.427 5.546 404 HZ3 LYS 49 2HZ LYS 49 -15.800 -4.760 5.806 405 H SER 50 H SER 50 -12.479 -6.454 -1.149 406 HA SER 50 HA SER 50 -13.897 -4.410 -2.683 407 HB2 SER 50 2HB SER 50 -12.376 -5.922 -3.874 408 HB3 SER 50 1HB SER 50 -13.322 -7.314 -3.345 409 HG SER 50 HG SER 50 -13.854 -5.427 -5.313 410 H LYS 51 H LYS 51 -16.051 -4.568 -3.375 411 HA LYS 51 HA LYS 51 -17.868 -5.765 -1.480 412 HB2 LYS 51 2HB LYS 51 -18.296 -3.550 -2.467 413 HB3 LYS 51 1HB LYS 51 -18.411 -4.275 -4.062 414 HG2 LYS 51 2HG LYS 51 -20.617 -3.797 -3.207 415 HG3 LYS 51 1HG LYS 51 -20.392 -5.543 -3.333 416 HD2 LYS 51 2HD LYS 51 -20.021 -5.716 -0.952 417 HD3 LYS 51 1HD LYS 51 -20.058 -3.959 -0.779 418 HE2 LYS 51 2HE LYS 51 -22.177 -4.995 -0.079 419 HE3 LYS 51 1HE LYS 51 -22.396 -3.916 -1.456 420 HZ1 LYS 51 3HZ LYS 51 -22.426 -5.843 -2.914 421 HZ2 LYS 51 1HZ LYS 51 -23.626 -5.971 -1.731 422 HZ3 LYS 51 2HZ LYS 51 -22.205 -6.876 -1.595 423 H GLY 52 H GLY 52 -18.632 -7.785 -1.590 424 HA2 GLY 52 2HA GLY 52 -19.897 -9.246 -3.338 425 HA3 GLY 52 1HA GLY 52 -18.315 -9.295 -4.099 426 H GLN 53 H GLN 53 -16.525 -10.206 -2.807 427 HA GLN 53 HA GLN 53 -17.452 -12.476 -1.203 428 HB2 GLN 53 2HB GLN 53 -14.804 -11.873 -2.531 429 HB3 GLN 53 1HB GLN 53 -15.051 -13.258 -1.475 430 HG2 GLN 53 2HG GLN 53 -16.597 -12.722 -4.010 431 HG3 GLN 53 1HG GLN 53 -15.223 -13.816 -3.871 432 HE21 GLN 53 1HE2 GLN 53 -18.576 -13.319 -3.094 433 HE22 GLN 53 2HE2 GLN 53 -18.903 -14.940 -2.595 434 H GLY 54 H GLY 54 -16.294 -9.385 -0.617 435 HA2 GLY 54 2HA GLY 54 -15.910 -8.344 1.407 436 HA3 GLY 54 1HA GLY 54 -16.186 -9.883 2.196 437 H ARG 55 H ARG 55 -13.784 -10.408 -0.035 438 HA ARG 55 HA ARG 55 -11.755 -10.503 2.017 439 HB2 ARG 55 2HB ARG 55 -11.589 -11.121 -0.941 440 HB3 ARG 55 1HB ARG 55 -10.286 -11.380 0.209 441 HG2 ARG 55 2HG ARG 55 -11.749 -12.970 1.435 442 HG3 ARG 55 1HG ARG 55 -12.964 -12.771 0.169 443 HD2 ARG 55 2HD ARG 55 -10.159 -13.844 -0.169 444 HD3 ARG 55 1HD ARG 55 -11.657 -14.768 -0.254 445 HE ARG 55 HE ARG 55 -12.189 -13.319 -2.240 446 HH11 ARG 55 1HH1 ARG 55 -8.920 -14.026 -1.356 447 HH12 ARG 55 2HH1 ARG 55 -8.351 -13.846 -2.978 448 HH21 ARG 55 1HH2 ARG 55 -11.405 -13.071 -4.288 449 HH22 ARG 55 2HH2 ARG 55 -9.723 -13.334 -4.597 450 H MET 56 H MET 56 -9.719 -9.468 1.945 451 HA MET 56 HA MET 56 -9.713 -6.880 0.538 452 HB2 MET 56 2HB MET 56 -8.069 -6.159 2.215 453 HB3 MET 56 1HB MET 56 -9.543 -6.743 2.975 454 HG2 MET 56 2HG MET 56 -8.417 -8.909 3.401 455 HG3 MET 56 1HG MET 56 -6.934 -8.229 2.732 456 HE1 MET 56 3HE MET 56 -9.633 -6.424 4.978 457 HE2 MET 56 1HE MET 56 -8.967 -6.701 6.588 458 HE3 MET 56 2HE MET 56 -9.566 -8.059 5.635 459 H ILE 57 H ILE 57 -8.018 -6.252 -0.745 460 HA ILE 57 HA ILE 57 -5.974 -8.275 -1.404 461 HB ILE 57 HB ILE 57 -5.601 -6.933 -3.479 462 HG12 ILE 57 2HG1 ILE 57 -8.055 -5.407 -2.540 463 HG13 ILE 57 1HG1 ILE 57 -6.423 -4.760 -2.665 464 HG21 ILE 57 1HG2 ILE 57 -7.605 -7.689 -4.643 465 HG22 ILE 57 2HG2 ILE 57 -8.440 -7.897 -3.104 466 HG23 ILE 57 3HG2 ILE 57 -7.048 -8.906 -3.495 467 HD11 ILE 57 3HD1 ILE 57 -8.156 -5.689 -4.946 468 HD12 ILE 57 1HD1 ILE 57 -6.499 -5.101 -5.097 469 HD13 ILE 57 2HD1 ILE 57 -7.769 -4.022 -4.522 470 H GLN 58 H GLN 58 -3.766 -7.720 -1.413 471 HA GLN 58 HA GLN 58 -3.110 -5.487 0.353 472 HB2 GLN 58 2HB GLN 58 -1.507 -7.801 -0.741 473 HB3 GLN 58 1HB GLN 58 -0.751 -6.483 0.140 474 HG2 GLN 58 2HG GLN 58 -1.168 -8.421 1.563 475 HG3 GLN 58 1HG GLN 58 -2.053 -7.001 2.112 476 HE21 GLN 58 1HE2 GLN 58 -2.323 -10.139 0.603 477 HE22 GLN 58 2HE2 GLN 58 -4.021 -10.320 0.856 478 H VAL 59 H VAL 59 -2.945 -3.540 -0.601 479 HA VAL 59 HA VAL 59 -1.845 -3.362 -3.327 480 HB VAL 59 HB VAL 59 -3.398 -1.294 -1.753 481 HG11 VAL 59 1HG1 VAL 59 -3.552 -0.080 -3.877 482 HG12 VAL 59 2HG1 VAL 59 -2.537 -1.293 -4.653 483 HG13 VAL 59 3HG1 VAL 59 -1.871 -0.274 -3.377 484 HG21 VAL 59 3HG2 VAL 59 -4.774 -3.224 -2.332 485 HG22 VAL 59 1HG2 VAL 59 -4.263 -3.105 -4.017 486 HG23 VAL 59 2HG2 VAL 59 -5.240 -1.823 -3.298 487 H SER 60 H SER 60 0.193 -2.714 -3.591 488 HA SER 60 HA SER 60 1.501 -1.168 -1.445 489 HB2 SER 60 2HB SER 60 2.780 -2.830 -3.638 490 HB3 SER 60 1HB SER 60 3.633 -2.005 -2.332 491 HG SER 60 HG SER 60 3.045 -4.373 -2.135 492 H ILE 61 H ILE 61 2.086 0.884 -1.807 493 HA ILE 61 HA ILE 61 2.554 1.763 -4.594 494 HB ILE 61 HB ILE 61 1.733 4.022 -3.973 495 HG12 ILE 61 2HG1 ILE 61 0.781 2.670 -1.425 496 HG13 ILE 61 1HG1 ILE 61 2.069 3.866 -1.531 497 HG21 ILE 61 1HG2 ILE 61 -0.671 3.470 -4.001 498 HG22 ILE 61 2HG2 ILE 61 -0.277 1.794 -3.623 499 HG23 ILE 61 3HG2 ILE 61 0.254 2.500 -5.149 500 HD11 ILE 61 3HD1 ILE 61 0.435 5.523 -2.320 501 HD12 ILE 61 1HD1 ILE 61 0.036 4.879 -0.728 502 HD13 ILE 61 2HD1 ILE 61 -0.844 4.319 -2.149 503 HA PRO 62 HA PRO 62 6.614 2.997 -3.393 504 HB2 PRO 62 2HB PRO 62 6.807 5.481 -4.642 505 HB3 PRO 62 1HB PRO 62 7.097 3.923 -5.419 506 HG2 PRO 62 2HG PRO 62 4.635 5.625 -5.440 507 HG3 PRO 62 1HG PRO 62 5.368 4.696 -6.764 508 HD2 PRO 62 2HD PRO 62 3.203 3.786 -5.477 509 HD3 PRO 62 1HD PRO 62 4.490 2.678 -5.998 510 H ALA 63 H ALA 63 7.629 4.075 -1.742 511 HA ALA 63 HA ALA 63 6.086 5.279 0.263 512 HB1 ALA 63 3HB ALA 63 8.196 4.117 0.680 513 HB2 ALA 63 1HB ALA 63 8.188 5.731 1.392 514 HB3 ALA 63 2HB ALA 63 9.073 5.431 -0.104 515 H SER 64 H SER 64 7.515 6.706 -2.530 516 HA SER 64 HA SER 64 7.754 9.386 -1.693 517 HB2 SER 64 2HB SER 64 8.670 8.635 -3.825 518 HB3 SER 64 1HB SER 64 7.050 8.294 -4.431 519 HG SER 64 HG SER 64 7.915 10.874 -3.597 520 H VAL 65 H VAL 65 4.953 7.477 -2.519 521 HA VAL 65 HA VAL 65 3.162 9.711 -2.823 522 HB VAL 65 HB VAL 65 2.499 6.793 -2.331 523 HG11 VAL 65 1HG1 VAL 65 0.791 9.051 -3.394 524 HG12 VAL 65 2HG1 VAL 65 0.609 8.239 -1.839 525 HG13 VAL 65 3HG1 VAL 65 0.316 7.353 -3.336 526 HG21 VAL 65 3HG2 VAL 65 2.168 6.671 -4.779 527 HG22 VAL 65 1HG2 VAL 65 3.841 7.014 -4.337 528 HG23 VAL 65 2HG2 VAL 65 2.800 8.310 -4.929 529 HA PRO 66 HA PRO 66 2.696 10.623 1.532 530 HB2 PRO 66 2HB PRO 66 0.246 11.903 1.341 531 HB3 PRO 66 1HB PRO 66 1.810 12.660 1.029 532 HG2 PRO 66 2HG PRO 66 -0.155 11.507 -0.919 533 HG3 PRO 66 1HG PRO 66 0.783 13.009 -1.030 534 HD2 PRO 66 2HD PRO 66 1.534 10.824 -2.377 535 HD3 PRO 66 1HD PRO 66 2.743 11.888 -1.627 536 H LEU 67 H LEU 67 1.438 10.034 3.354 537 HA LEU 67 HA LEU 67 0.203 7.484 3.167 538 HB2 LEU 67 2HB LEU 67 1.455 8.138 5.136 539 HB3 LEU 67 1HB LEU 67 0.347 9.462 5.449 540 HG LEU 67 HG LEU 67 -1.432 7.924 6.022 541 HD11 LEU 67 1HD1 LEU 67 0.481 5.689 5.350 542 HD12 LEU 67 2HD1 LEU 67 -0.921 6.173 4.393 543 HD13 LEU 67 3HD1 LEU 67 -1.145 5.515 6.016 544 HD21 LEU 67 3HD2 LEU 67 -0.498 6.885 8.017 545 HD22 LEU 67 1HD2 LEU 67 0.166 8.503 7.794 546 HD23 LEU 67 2HD2 LEU 67 1.136 7.087 7.382 547 H LYS 68 H LYS 68 -1.902 6.867 3.135 548 HA LYS 68 HA LYS 68 -3.825 8.875 2.340 549 HB2 LYS 68 2HB LYS 68 -4.208 5.886 2.596 550 HB3 LYS 68 1HB LYS 68 -5.245 7.010 1.726 551 HG2 LYS 68 2HG LYS 68 -2.488 6.065 1.009 552 HG3 LYS 68 1HG LYS 68 -3.981 5.946 0.073 553 HD2 LYS 68 2HD LYS 68 -3.981 8.458 -0.073 554 HD3 LYS 68 1HD LYS 68 -2.379 8.433 0.673 555 HE2 LYS 68 2HE LYS 68 -1.478 7.197 -1.195 556 HE3 LYS 68 1HE LYS 68 -3.081 7.011 -1.904 557 HZ1 LYS 68 3HZ LYS 68 -1.845 8.757 -3.008 558 HZ2 LYS 68 1HZ LYS 68 -1.628 9.580 -1.542 559 HZ3 LYS 68 2HZ LYS 68 -3.173 9.417 -2.196 560 H GLU 69 H GLU 69 -4.214 6.118 4.604 561 HA GLU 69 HA GLU 69 -5.603 5.797 6.381 562 HB2 GLU 69 2HB GLU 69 -4.979 8.715 6.907 563 HB3 GLU 69 1HB GLU 69 -5.692 7.606 8.068 564 HG2 GLU 69 2HG GLU 69 -3.645 6.231 7.972 565 HG3 GLU 69 1HG GLU 69 -2.935 7.406 6.864 566 H PHE 70 H PHE 70 -7.092 6.068 4.150 567 HA PHE 70 HA PHE 70 -9.025 8.138 4.187 568 HB2 PHE 70 2HB PHE 70 -9.112 5.388 2.931 569 HB3 PHE 70 1HB PHE 70 -10.338 6.620 2.672 570 HD1 PHE 70 HD1 PHE 70 -9.133 9.030 2.059 571 HD2 PHE 70 HD2 PHE 70 -7.655 5.130 1.170 572 HE1 PHE 70 HE1 PHE 70 -7.847 9.945 0.173 573 HE2 PHE 70 HE2 PHE 70 -6.364 6.049 -0.710 574 HZ PHE 70 HZ PHE 70 -6.460 8.455 -1.211 575 H ASP 71 H ASP 71 -11.424 7.693 4.398 576 HA ASP 71 HA ASP 71 -12.128 6.867 6.982 577 HB2 ASP 71 2HB ASP 71 -13.897 7.092 4.533 578 HB3 ASP 71 1HB ASP 71 -14.456 7.050 6.202 579 H TYR 72 H TYR 72 -12.893 4.976 7.830 580 HA TYR 72 HA TYR 72 -12.187 2.530 6.629 581 HB2 TYR 72 2HB TYR 72 -12.356 2.934 9.086 582 HB3 TYR 72 1HB TYR 72 -14.109 2.967 8.934 583 HD1 TYR 72 HD2 TYR 72 -11.619 0.653 7.370 584 HD2 TYR 72 HD1 TYR 72 -14.853 1.090 10.105 585 HE1 TYR 72 HE2 TYR 72 -11.683 -1.785 7.677 586 HE2 TYR 72 HE1 TYR 72 -14.920 -1.346 10.423 587 HH TYR 72 HH TYR 72 -14.249 -3.394 9.130 588 H ASN 73 H ASN 73 -13.200 1.243 5.234 589 HA ASN 73 HA ASN 73 -14.721 0.320 3.840 590 HB2 ASN 73 2HB ASN 73 -16.666 1.375 5.887 591 HB3 ASN 73 1HB ASN 73 -17.206 0.530 4.441 592 HD21 ASN 73 1HD2 ASN 73 -15.736 0.223 7.532 593 HD22 ASN 73 2HD2 ASN 73 -15.674 -1.503 7.558 594 H ALA 74 H ALA 74 -13.941 3.341 3.711 595 HA ALA 74 HA ALA 74 -16.076 4.433 2.092 596 HB1 ALA 74 3HB ALA 74 -14.627 5.905 3.402 597 HB2 ALA 74 1HB ALA 74 -14.559 6.302 1.685 598 HB3 ALA 74 2HB ALA 74 -13.236 5.408 2.439 599 H ARG 75 H ARG 75 -16.068 4.753 -0.161 600 HA ARG 75 HA ARG 75 -14.893 2.633 -1.668 601 HB2 ARG 75 2HB ARG 75 -16.499 5.066 -2.444 602 HB3 ARG 75 1HB ARG 75 -15.853 3.960 -3.649 603 HG2 ARG 75 2HG ARG 75 -17.137 2.127 -2.688 604 HG3 ARG 75 1HG ARG 75 -17.752 3.201 -1.429 605 HD2 ARG 75 2HD ARG 75 -18.918 4.535 -3.049 606 HD3 ARG 75 1HD ARG 75 -18.170 3.658 -4.382 607 HE ARG 75 HE ARG 75 -19.432 1.666 -3.349 608 HH11 ARG 75 1HH1 ARG 75 -20.589 4.920 -3.381 609 HH12 ARG 75 2HH1 ARG 75 -22.245 4.430 -3.468 610 HH21 ARG 75 1HH2 ARG 75 -21.539 1.067 -3.473 611 HH22 ARG 75 2HH2 ARG 75 -22.781 2.275 -3.502 612 H VAL 76 H VAL 76 -12.851 2.552 -2.274 613 HA VAL 76 HA VAL 76 -11.530 4.996 -3.279 614 HB VAL 76 HB VAL 76 -9.373 4.120 -2.423 615 HG11 VAL 76 1HG1 VAL 76 -9.765 4.608 -0.038 616 HG12 VAL 76 2HG1 VAL 76 -11.503 4.493 -0.313 617 HG13 VAL 76 3HG1 VAL 76 -10.567 5.763 -1.102 618 HG21 VAL 76 3HG2 VAL 76 -9.353 2.299 -0.769 619 HG22 VAL 76 1HG2 VAL 76 -9.914 1.740 -2.346 620 HG23 VAL 76 2HG2 VAL 76 -11.074 2.029 -1.047 621 H GLU 77 H GLU 77 -10.362 4.788 -5.176 622 HA GLU 77 HA GLU 77 -10.213 2.087 -6.368 623 HB2 GLU 77 2HB GLU 77 -10.534 3.099 -8.590 624 HB3 GLU 77 1HB GLU 77 -11.914 3.368 -7.539 625 HG2 GLU 77 2HG GLU 77 -11.210 5.656 -7.142 626 HG3 GLU 77 1HG GLU 77 -9.762 5.399 -8.117 627 H LEU 78 H LEU 78 -8.477 1.759 -7.913 628 HA LEU 78 HA LEU 78 -6.044 3.068 -6.930 629 HB2 LEU 78 2HB LEU 78 -6.464 0.446 -8.370 630 HB3 LEU 78 1HB LEU 78 -4.891 1.084 -7.931 631 HG LEU 78 HG LEU 78 -7.082 0.319 -5.991 632 HD11 LEU 78 1HD1 LEU 78 -4.448 -1.016 -6.623 633 HD12 LEU 78 2HD1 LEU 78 -6.051 -1.624 -7.041 634 HD13 LEU 78 3HD1 LEU 78 -5.572 -1.497 -5.349 635 HD21 LEU 78 3HD2 LEU 78 -5.772 2.190 -5.152 636 HD22 LEU 78 1HD2 LEU 78 -4.274 1.326 -5.498 637 HD23 LEU 78 2HD2 LEU 78 -5.379 0.721 -4.262 638 H ILE 79 H ILE 79 -5.069 4.530 -8.129 639 HA ILE 79 HA ILE 79 -5.561 4.923 -10.916 640 HB ILE 79 HB ILE 79 -3.347 6.027 -9.163 641 HG12 ILE 79 2HG1 ILE 79 -5.586 6.666 -8.373 642 HG13 ILE 79 1HG1 ILE 79 -4.731 8.056 -9.029 643 HG21 ILE 79 1HG2 ILE 79 -2.731 6.157 -11.510 644 HG22 ILE 79 2HG2 ILE 79 -3.101 7.766 -10.888 645 HG23 ILE 79 3HG2 ILE 79 -4.276 6.921 -11.898 646 HD11 ILE 79 3HD1 ILE 79 -6.017 7.872 -11.097 647 HD12 ILE 79 1HD1 ILE 79 -7.067 8.057 -9.694 648 HD13 ILE 79 2HD1 ILE 79 -6.869 6.474 -10.443 649 H ASN 80 H ASN 80 -4.916 3.410 -12.327 650 HA ASN 80 HA ASN 80 -3.619 2.005 -13.553 651 HB2 ASN 80 2HB ASN 80 -1.324 3.662 -12.485 652 HB3 ASN 80 1HB ASN 80 -1.332 2.704 -13.963 653 HD21 ASN 80 1HD2 ASN 80 -0.871 5.573 -13.563 654 HD22 ASN 80 2HD2 ASN 80 -2.041 6.375 -14.549 655 HA PRO 81 HA PRO 81 -2.173 -0.573 -9.930 656 HB2 PRO 81 2HB PRO 81 -4.134 -2.400 -9.861 657 HB3 PRO 81 1HB PRO 81 -4.323 -0.814 -9.103 658 HG2 PRO 81 2HG PRO 81 -5.366 -1.790 -11.735 659 HG3 PRO 81 1HG PRO 81 -6.176 -0.799 -10.509 660 HD2 PRO 81 2HD PRO 81 -4.979 0.203 -12.792 661 HD3 PRO 81 1HD PRO 81 -5.266 1.141 -11.314 662 H ILE 82 H ILE 82 -0.745 -2.209 -10.278 663 HA ILE 82 HA ILE 82 -1.140 -3.977 -12.618 664 HB ILE 82 HB ILE 82 1.267 -4.264 -12.798 665 HG12 ILE 82 2HG1 ILE 82 1.559 -2.229 -10.569 666 HG13 ILE 82 1HG1 ILE 82 1.738 -3.963 -10.343 667 HG21 ILE 82 1HG2 ILE 82 1.919 -1.990 -13.506 668 HG22 ILE 82 2HG2 ILE 82 0.490 -1.347 -12.694 669 HG23 ILE 82 3HG2 ILE 82 0.308 -2.437 -14.067 670 HD11 ILE 82 3HD1 ILE 82 3.884 -2.848 -10.522 671 HD12 ILE 82 1HD1 ILE 82 3.449 -2.241 -12.120 672 HD13 ILE 82 2HD1 ILE 82 3.638 -3.975 -11.856 673 H ALA 83 H ALA 83 -0.924 -6.183 -12.321 674 HA ALA 83 HA ALA 83 -1.102 -7.206 -9.633 675 HB1 ALA 83 3HB ALA 83 -2.369 -8.221 -11.477 676 HB2 ALA 83 1HB ALA 83 -1.316 -9.396 -10.686 677 HB3 ALA 83 2HB ALA 83 -0.858 -8.710 -12.247 678 H ASP 84 H ASP 84 0.526 -8.020 -8.379 679 HA ASP 84 HA ASP 84 3.203 -7.497 -9.227 680 HB2 ASP 84 2HB ASP 84 2.209 -7.296 -6.861 681 HB3 ASP 84 1HB ASP 84 2.496 -9.030 -6.734 682 H THR 85 H THR 85 4.760 -8.821 -9.940 683 HA THR 85 HA THR 85 4.081 -11.321 -11.080 684 HB THR 85 HB THR 85 6.852 -10.169 -10.652 685 HG1 THR 85 HG1 THR 85 5.830 -9.913 -13.158 686 HG21 THR 85 3HG2 THR 85 6.866 -12.546 -11.284 687 HG22 THR 85 1HG2 THR 85 7.472 -11.536 -12.596 688 HG23 THR 85 2HG2 THR 85 5.835 -12.186 -12.669 689 H VAL 86 H VAL 86 5.937 -10.473 -8.144 690 HA VAL 86 HA VAL 86 7.098 -13.005 -7.732 691 HB VAL 86 HB VAL 86 7.611 -12.323 -5.481 692 HG11 VAL 86 1HG1 VAL 86 8.940 -11.305 -7.232 693 HG12 VAL 86 2HG1 VAL 86 8.720 -10.170 -5.901 694 HG13 VAL 86 3HG1 VAL 86 7.780 -9.985 -7.381 695 HG21 VAL 86 3HG2 VAL 86 6.705 -10.255 -4.487 696 HG22 VAL 86 1HG2 VAL 86 5.446 -11.454 -4.789 697 HG23 VAL 86 2HG2 VAL 86 5.629 -10.075 -5.871 698 H ALA 87 H ALA 87 3.861 -12.005 -7.277 699 HA ALA 87 HA ALA 87 3.259 -14.354 -5.599 700 HB1 ALA 87 3HB ALA 87 1.129 -13.286 -5.111 701 HB2 ALA 87 1HB ALA 87 1.511 -11.972 -6.226 702 HB3 ALA 87 2HB ALA 87 2.462 -12.187 -4.758 703 H THR 88 H THR 88 1.911 -12.623 -8.437 704 HA THR 88 HA THR 88 0.065 -14.693 -9.087 705 HB THR 88 HB THR 88 -0.375 -13.474 -11.152 706 HG1 THR 88 HG1 THR 88 1.467 -11.459 -10.623 707 HG21 THR 88 3HG2 THR 88 0.058 -11.600 -8.817 708 HG22 THR 88 1HG2 THR 88 -1.372 -12.595 -9.094 709 HG23 THR 88 2HG2 THR 88 -0.979 -11.286 -10.209 710 H ALA 89 H ALA 89 3.421 -14.387 -9.756 711 HA ALA 89 HA ALA 89 3.265 -16.367 -11.941 712 HB1 ALA 89 3HB ALA 89 5.594 -15.785 -12.405 713 HB2 ALA 89 1HB ALA 89 5.600 -14.687 -11.023 714 HB3 ALA 89 2HB ALA 89 4.563 -14.354 -12.411 715 H THR 90 H THR 90 3.269 -16.558 -8.763 716 HA THR 90 HA THR 90 5.110 -18.878 -8.660 717 HB THR 90 HB THR 90 4.285 -17.152 -6.304 718 HG1 THR 90 HG1 THR 90 6.050 -16.000 -6.645 719 HG21 THR 90 3HG2 THR 90 6.341 -19.364 -6.544 720 HG22 THR 90 1HG2 THR 90 4.818 -19.451 -5.659 721 HG23 THR 90 2HG2 THR 90 6.091 -18.354 -5.120 722 H TYR 91 H TYR 91 1.960 -17.575 -7.815 723 HA TYR 91 HA TYR 91 1.050 -20.151 -6.756 724 HB2 TYR 91 2HB TYR 91 -0.294 -17.445 -6.942 725 HB3 TYR 91 1HB TYR 91 -1.118 -18.891 -6.369 726 HD1 TYR 91 HD2 TYR 91 0.423 -20.207 -4.505 727 HD2 TYR 91 HD1 TYR 91 0.421 -16.016 -5.271 728 HE1 TYR 91 HE2 TYR 91 1.228 -19.794 -2.220 729 HE2 TYR 91 HE1 TYR 91 1.227 -15.595 -2.986 730 HH TYR 91 HH TYR 91 1.100 -16.839 -0.738 731 H GLN 92 H GLN 92 0.387 -21.637 -8.177 732 HA GLN 92 HA GLN 92 -0.313 -21.172 -10.855 733 HB2 GLN 92 2HB GLN 92 -0.869 -23.512 -9.027 734 HB3 GLN 92 1HB GLN 92 -1.270 -23.523 -10.737 735 HG2 GLN 92 2HG GLN 92 1.512 -23.111 -9.654 736 HG3 GLN 92 1HG GLN 92 0.863 -24.665 -10.175 737 HE21 GLN 92 1HE2 GLN 92 0.375 -24.962 -12.382 738 HE22 GLN 92 2HE2 GLN 92 1.105 -23.978 -13.601 739 H GLY 93 H GLY 93 -1.939 -19.684 -11.172 740 HA2 GLY 93 2HA GLY 93 -4.069 -18.829 -11.310 741 HA3 GLY 93 1HA GLY 93 -4.582 -20.505 -11.286 742 H ALA 94 H ALA 94 -2.950 -18.889 -8.614 743 HA ALA 94 HA ALA 94 -5.438 -19.120 -7.032 744 HB1 ALA 94 3HB ALA 94 -4.092 -19.740 -5.095 745 HB2 ALA 94 1HB ALA 94 -2.622 -19.631 -6.067 746 HB3 ALA 94 2HB ALA 94 -3.829 -20.866 -6.425 747 H ASP 95 H ASP 95 -6.170 -17.167 -6.499 748 HA ASP 95 HA ASP 95 -4.431 -14.846 -6.369 749 HB2 ASP 95 2HB ASP 95 -6.540 -13.604 -6.098 750 HB3 ASP 95 1HB ASP 95 -6.619 -14.709 -7.468 751 H VAL 96 H VAL 96 -4.015 -16.852 -4.318 752 HA VAL 96 HA VAL 96 -5.363 -16.301 -1.905 753 HB VAL 96 HB VAL 96 -2.622 -17.534 -2.278 754 HG11 VAL 96 1HG1 VAL 96 -2.979 -16.825 0.029 755 HG12 VAL 96 2HG1 VAL 96 -3.027 -18.583 -0.088 756 HG13 VAL 96 3HG1 VAL 96 -4.527 -17.669 0.066 757 HG21 VAL 96 3HG2 VAL 96 -4.310 -18.739 -3.547 758 HG22 VAL 96 1HG2 VAL 96 -5.352 -18.823 -2.126 759 HG23 VAL 96 2HG2 VAL 96 -3.815 -19.690 -2.145 760 H ASP 97 H ASP 97 -5.370 -14.166 -1.281 761 HA ASP 97 HA ASP 97 -4.667 -12.264 -0.242 762 HB2 ASP 97 2HB ASP 97 -2.489 -14.165 0.667 763 HB3 ASP 97 1HB ASP 97 -2.736 -12.558 1.347 764 H TRP 98 H TRP 98 -3.865 -12.550 -2.955 765 HA TRP 98 HA TRP 98 -1.142 -12.026 -3.403 766 HB2 TRP 98 2HB TRP 98 -1.770 -11.523 -5.701 767 HB3 TRP 98 1HB TRP 98 -2.607 -12.957 -5.124 768 HD1 TRP 98 HD1 TRP 98 -5.137 -11.651 -3.744 769 HE1 TRP 98 HE1 TRP 98 -6.921 -10.492 -5.183 770 HE3 TRP 98 HE3 TRP 98 -2.324 -10.668 -7.902 771 HZ2 TRP 98 HZ2 TRP 98 -7.124 -9.320 -7.741 772 HZ3 TRP 98 HZ3 TRP 98 -3.390 -9.525 -9.800 773 HH2 TRP 98 HH2 TRP 98 -5.742 -8.865 -9.720 774 H TYR 99 H TYR 99 -0.210 -10.149 -4.446 775 HA TYR 99 HA TYR 99 -1.055 -7.644 -3.143 776 HB2 TYR 99 2HB TYR 99 1.664 -8.586 -4.097 777 HB3 TYR 99 1HB TYR 99 1.346 -6.949 -3.541 778 HD1 TYR 99 HD1 TYR 99 0.890 -10.481 -2.355 779 HD2 TYR 99 HD2 TYR 99 1.844 -6.460 -1.340 780 HE1 TYR 99 HE1 TYR 99 1.378 -11.183 -0.049 781 HE2 TYR 99 HE2 TYR 99 2.325 -7.147 0.971 782 HH TYR 99 HH TYR 99 2.570 -10.466 1.890 783 H ILE 100 H ILE 100 -1.254 -5.766 -4.297 784 HA ILE 100 HA ILE 100 -0.687 -5.788 -7.193 785 HB ILE 100 HB ILE 100 -3.145 -4.544 -5.910 786 HG12 ILE 100 2HG1 ILE 100 -2.971 -6.952 -7.751 787 HG13 ILE 100 1HG1 ILE 100 -3.283 -7.020 -6.019 788 HG21 ILE 100 1HG2 ILE 100 -2.350 -4.729 -8.823 789 HG22 ILE 100 2HG2 ILE 100 -2.324 -3.270 -7.832 790 HG23 ILE 100 3HG2 ILE 100 -3.859 -4.052 -8.205 791 HD11 ILE 100 3HD1 ILE 100 -5.349 -5.759 -6.350 792 HD12 ILE 100 1HD1 ILE 100 -5.332 -7.261 -7.274 793 HD13 ILE 100 2HD1 ILE 100 -5.043 -5.724 -8.087 794 H LYS 101 H LYS 101 0.393 -4.016 -7.906 795 HA LYS 101 HA LYS 101 0.878 -1.886 -5.921 796 HB2 LYS 101 2HB LYS 101 2.655 -2.713 -8.229 797 HB3 LYS 101 1HB LYS 101 3.031 -1.513 -6.995 798 HG2 LYS 101 2HG LYS 101 2.676 -3.440 -5.317 799 HG3 LYS 101 1HG LYS 101 2.837 -4.493 -6.723 800 HD2 LYS 101 2HD LYS 101 4.875 -2.441 -5.856 801 HD3 LYS 101 1HD LYS 101 4.948 -4.160 -5.477 802 HE2 LYS 101 2HE LYS 101 4.880 -3.066 -8.288 803 HE3 LYS 101 1HE LYS 101 6.368 -3.435 -7.416 804 HZ1 LYS 101 3HZ LYS 101 5.789 -5.287 -8.786 805 HZ2 LYS 101 1HZ LYS 101 4.225 -5.353 -8.141 806 HZ3 LYS 101 2HZ LYS 101 5.554 -5.733 -7.172 807 H ALA 102 H ALA 102 0.269 0.149 -6.376 808 HA ALA 102 HA ALA 102 -0.755 0.670 -9.106 809 HB1 ALA 102 3HB ALA 102 -2.485 2.071 -8.106 810 HB2 ALA 102 1HB ALA 102 -1.851 1.726 -6.498 811 HB3 ALA 102 2HB ALA 102 -2.553 0.429 -7.467 812 H ASP 103 H ASP 103 -0.848 2.926 -9.766 813 HA ASP 103 HA ASP 103 1.564 4.369 -9.251 814 HB2 ASP 103 2HB ASP 103 0.349 4.293 -11.443 815 HB3 ASP 103 1HB ASP 103 -0.936 5.254 -10.725 816 H ASP 104 H ASP 104 -1.730 4.537 -8.083 817 HA ASP 104 HA ASP 104 -1.039 5.953 -5.746 818 HB2 ASP 104 2HB ASP 104 -0.907 7.870 -7.331 819 HB3 ASP 104 1HB ASP 104 -2.584 7.597 -7.778 820 H ILE 105 H ILE 105 -2.946 6.457 -4.374 821 HA ILE 105 HA ILE 105 -5.288 4.780 -5.068 822 HB ILE 105 HB ILE 105 -4.267 5.341 -2.270 823 HG12 ILE 105 2HG1 ILE 105 -3.914 2.849 -3.964 824 HG13 ILE 105 1HG1 ILE 105 -2.638 3.965 -3.492 825 HG21 ILE 105 1HG2 ILE 105 -6.663 4.882 -2.391 826 HG22 ILE 105 2HG2 ILE 105 -5.810 3.553 -1.607 827 HG23 ILE 105 3HG2 ILE 105 -6.345 3.390 -3.279 828 HD11 ILE 105 3HD1 ILE 105 -2.988 3.368 -1.148 829 HD12 ILE 105 1HD1 ILE 105 -2.588 1.964 -2.136 830 HD13 ILE 105 2HD1 ILE 105 -4.255 2.237 -1.629 831 H VAL 106 H VAL 106 -7.132 5.933 -5.311 832 HA VAL 106 HA VAL 106 -7.452 8.439 -3.772 833 HB VAL 106 HB VAL 106 -8.562 9.491 -5.703 834 HG11 VAL 106 1HG1 VAL 106 -6.176 9.898 -5.361 835 HG12 VAL 106 2HG1 VAL 106 -6.575 9.890 -7.079 836 HG13 VAL 106 3HG1 VAL 106 -5.784 8.491 -6.350 837 HG21 VAL 106 3HG2 VAL 106 -8.408 8.471 -7.938 838 HG22 VAL 106 1HG2 VAL 106 -9.379 7.492 -6.836 839 HG23 VAL 106 2HG2 VAL 106 -7.724 7.014 -7.219 840 H LEU 107 H LEU 107 -9.840 9.229 -3.947 841 HA LEU 107 HA LEU 107 -11.559 7.105 -3.038 842 HB2 LEU 107 2HB LEU 107 -12.147 10.023 -3.574 843 HB3 LEU 107 1HB LEU 107 -13.248 8.904 -2.789 844 HG LEU 107 HG LEU 107 -10.546 9.743 -1.708 845 HD11 LEU 107 1HD1 LEU 107 -11.808 10.976 -0.027 846 HD12 LEU 107 2HD1 LEU 107 -13.324 10.518 -0.804 847 HD13 LEU 107 3HD1 LEU 107 -12.181 11.567 -1.646 848 HD21 LEU 107 3HD2 LEU 107 -12.711 8.001 -0.518 849 HD22 LEU 107 1HD2 LEU 107 -11.295 8.599 0.353 850 HD23 LEU 107 2HD2 LEU 107 -11.093 7.495 -1.006 851 H THR 108 H THR 108 -13.125 6.044 -4.141 852 HA THR 108 HA THR 108 -13.097 5.883 -6.919 853 HB THR 108 HB THR 108 -15.357 5.085 -5.063 854 HG1 THR 108 HG1 THR 108 -13.055 3.708 -6.023 855 HG21 THR 108 3HG2 THR 108 -16.119 5.185 -7.392 856 HG22 THR 108 1HG2 THR 108 -16.019 3.517 -6.832 857 HG23 THR 108 2HG2 THR 108 -14.767 4.168 -7.889 858 H LEU 109 H LEU 109 -14.306 6.726 -8.569 859 HA LEU 109 HA LEU 109 -15.505 9.271 -8.233 860 HB2 LEU 109 2HB LEU 109 -15.717 7.365 -10.571 861 HB3 LEU 109 1HB LEU 109 -16.125 9.071 -10.605 862 HG LEU 109 HG LEU 109 -13.357 7.932 -10.150 863 HD11 LEU 109 1HD1 LEU 109 -14.563 9.310 -12.550 864 HD12 LEU 109 2HD1 LEU 109 -14.075 7.616 -12.440 865 HD13 LEU 109 3HD1 LEU 109 -12.860 8.892 -12.363 866 HD21 LEU 109 3HD2 LEU 109 -14.251 10.805 -10.451 867 HD22 LEU 109 1HD2 LEU 109 -12.583 10.244 -10.326 868 HD23 LEU 109 2HD2 LEU 109 -13.681 10.049 -8.962 869 H GLU 110 H GLU 110 -17.137 8.936 -6.627 870 HA GLU 110 HA GLU 110 -19.685 8.175 -7.835 871 HB2 GLU 110 2HB GLU 110 -20.328 7.047 -5.622 872 HB3 GLU 110 1HB GLU 110 -19.276 6.165 -6.716 873 HG2 GLU 110 2HG GLU 110 -17.977 5.803 -4.945 874 HG3 GLU 110 1HG GLU 110 -17.478 7.484 -5.100 Start of MODEL 9 1 H1 MET 1 1H MET 1 14.060 -20.289 -11.567 2 H2 MET 1 2H MET 1 12.684 -20.705 -12.457 3 H3 MET 1 3H MET 1 13.434 -21.858 -11.482 4 HA MET 1 HA MET 1 11.393 -21.014 -10.492 5 HB2 MET 1 2HB MET 1 13.292 -21.836 -9.105 6 HB3 MET 1 1HB MET 1 13.882 -20.187 -8.977 7 HG2 MET 1 2HG MET 1 11.841 -19.538 -7.807 8 HG3 MET 1 1HG MET 1 11.228 -21.187 -7.951 9 HE1 MET 1 3HE MET 1 10.810 -21.300 -5.335 10 HE2 MET 1 1HE MET 1 11.397 -19.646 -5.171 11 HE3 MET 1 2HE MET 1 12.040 -20.917 -4.130 12 H MET 2 H MET 2 13.876 -18.428 -10.107 13 HA MET 2 HA MET 2 11.818 -16.468 -9.659 14 HB2 MET 2 2HB MET 2 14.819 -16.221 -9.903 15 HB3 MET 2 1HB MET 2 13.760 -14.851 -9.584 16 HG2 MET 2 2HG MET 2 14.727 -15.647 -7.527 17 HG3 MET 2 1HG MET 2 12.988 -15.942 -7.525 18 HE1 MET 2 3HE MET 2 14.944 -17.332 -5.444 19 HE2 MET 2 1HE MET 2 14.316 -18.982 -5.469 20 HE3 MET 2 2HE MET 2 13.203 -17.613 -5.502 21 H ARG 3 H ARG 3 10.577 -16.114 -11.474 22 HA ARG 3 HA ARG 3 11.958 -14.686 -13.665 23 HB2 ARG 3 2HB ARG 3 9.632 -16.586 -13.788 24 HB3 ARG 3 1HB ARG 3 9.756 -15.296 -14.974 25 HG2 ARG 3 2HG ARG 3 10.717 -17.180 -15.986 26 HG3 ARG 3 1HG ARG 3 12.074 -16.168 -15.497 27 HD2 ARG 3 2HD ARG 3 12.395 -17.579 -13.511 28 HD3 ARG 3 1HD ARG 3 11.042 -18.592 -14.016 29 HE ARG 3 HE ARG 3 13.679 -18.438 -15.277 30 HH11 ARG 3 1HH1 ARG 3 10.532 -19.846 -15.188 31 HH12 ARG 3 2HH1 ARG 3 10.983 -21.171 -16.203 32 HH21 ARG 3 1HH2 ARG 3 14.223 -20.138 -16.599 33 HH22 ARG 3 2HH2 ARG 3 13.035 -21.331 -16.996 34 H LEU 4 H LEU 4 11.176 -12.690 -14.247 35 HA LEU 4 HA LEU 4 9.090 -11.533 -12.527 36 HB2 LEU 4 2HB LEU 4 11.167 -10.243 -14.310 37 HB3 LEU 4 1HB LEU 4 9.921 -9.344 -13.470 38 HG LEU 4 HG LEU 4 11.937 -9.122 -12.220 39 HD11 LEU 4 1HD1 LEU 4 10.130 -11.115 -10.854 40 HD12 LEU 4 2HD1 LEU 4 9.942 -9.360 -10.871 41 HD13 LEU 4 3HD1 LEU 4 11.323 -10.089 -10.055 42 HD21 LEU 4 3HD2 LEU 4 13.172 -11.031 -13.093 43 HD22 LEU 4 1HD2 LEU 4 12.128 -12.137 -12.198 44 HD23 LEU 4 2HD2 LEU 4 13.190 -11.028 -11.329 45 H ALA 5 H ALA 5 7.311 -10.406 -13.389 46 HA ALA 5 HA ALA 5 6.530 -11.259 -16.080 47 HB1 ALA 5 3HB ALA 5 4.976 -11.702 -14.244 48 HB2 ALA 5 1HB ALA 5 4.266 -10.600 -15.426 49 HB3 ALA 5 2HB ALA 5 4.883 -9.976 -13.896 50 H ASN 6 H ASN 6 6.803 -9.916 -17.757 51 HA ASN 6 HA ASN 6 7.521 -7.182 -17.473 52 HB2 ASN 6 2HB ASN 6 7.395 -7.097 -19.926 53 HB3 ASN 6 1HB ASN 6 8.273 -8.519 -19.376 54 HD21 ASN 6 1HD2 ASN 6 6.930 -8.029 -21.904 55 HD22 ASN 6 2HD2 ASN 6 5.764 -9.290 -22.082 56 H GLY 7 H GLY 7 4.464 -8.775 -18.307 57 HA2 GLY 7 2HA GLY 7 2.327 -7.939 -17.811 58 HA3 GLY 7 1HA GLY 7 3.024 -6.352 -17.543 59 H ILE 8 H ILE 8 1.661 -8.534 -19.877 60 HA ILE 8 HA ILE 8 1.831 -6.519 -22.009 61 HB ILE 8 HB ILE 8 0.923 -8.246 -23.503 62 HG12 ILE 8 2HG1 ILE 8 0.974 -10.064 -21.070 63 HG13 ILE 8 1HG1 ILE 8 -0.481 -9.428 -21.830 64 HG21 ILE 8 1HG2 ILE 8 3.340 -8.107 -23.217 65 HG22 ILE 8 2HG2 ILE 8 2.848 -9.782 -23.467 66 HG23 ILE 8 3HG2 ILE 8 3.261 -9.216 -21.848 67 HD11 ILE 8 3HD1 ILE 8 0.067 -10.644 -23.880 68 HD12 ILE 8 1HD1 ILE 8 -0.098 -11.717 -22.490 69 HD13 ILE 8 2HD1 ILE 8 1.506 -11.301 -23.095 70 H VAL 9 H VAL 9 -0.221 -6.233 -23.352 71 HA VAL 9 HA VAL 9 -2.357 -5.436 -21.576 72 HB VAL 9 HB VAL 9 -2.249 -5.272 -24.600 73 HG11 VAL 9 1HG1 VAL 9 -3.987 -3.562 -24.355 74 HG12 VAL 9 2HG1 VAL 9 -4.017 -3.829 -22.612 75 HG13 VAL 9 3HG1 VAL 9 -4.524 -5.112 -23.709 76 HG21 VAL 9 3HG2 VAL 9 -1.564 -2.942 -24.267 77 HG22 VAL 9 1HG2 VAL 9 -0.394 -4.056 -23.560 78 HG23 VAL 9 2HG2 VAL 9 -1.529 -3.194 -22.522 79 H LEU 10 H LEU 10 -3.726 -6.938 -20.845 80 HA LEU 10 HA LEU 10 -5.150 -8.633 -22.741 81 HB2 LEU 10 2HB LEU 10 -4.836 -10.542 -20.932 82 HB3 LEU 10 1HB LEU 10 -3.697 -10.309 -22.242 83 HG LEU 10 HG LEU 10 -2.141 -9.171 -20.762 84 HD11 LEU 10 1HD1 LEU 10 -2.566 -9.033 -18.333 85 HD12 LEU 10 2HD1 LEU 10 -4.231 -9.544 -18.619 86 HD13 LEU 10 3HD1 LEU 10 -3.649 -8.016 -19.282 87 HD21 LEU 10 3HD2 LEU 10 -3.162 -11.761 -19.590 88 HD22 LEU 10 1HD2 LEU 10 -1.581 -11.044 -19.273 89 HD23 LEU 10 2HD2 LEU 10 -1.991 -11.590 -20.898 90 H ASP 11 H ASP 11 -6.910 -9.953 -21.492 91 HA ASP 11 HA ASP 11 -8.354 -7.941 -19.889 92 HB2 ASP 11 2HB ASP 11 -9.451 -10.264 -21.492 93 HB3 ASP 11 1HB ASP 11 -10.396 -8.999 -20.715 94 H LYS 12 H LYS 12 -6.474 -10.099 -18.811 95 HA LYS 12 HA LYS 12 -7.988 -12.174 -17.653 96 HB2 LYS 12 2HB LYS 12 -6.068 -12.585 -16.195 97 HB3 LYS 12 1HB LYS 12 -5.559 -12.319 -17.857 98 HG2 LYS 12 2HG LYS 12 -4.868 -10.056 -17.315 99 HG3 LYS 12 1HG LYS 12 -5.451 -10.250 -15.663 100 HD2 LYS 12 2HD LYS 12 -3.300 -11.976 -16.896 101 HD3 LYS 12 1HD LYS 12 -2.969 -10.525 -15.954 102 HE2 LYS 12 2HE LYS 12 -4.551 -12.876 -14.909 103 HE3 LYS 12 1HE LYS 12 -2.814 -12.683 -14.673 104 HZ1 LYS 12 3HZ LYS 12 -4.905 -10.792 -13.727 105 HZ2 LYS 12 1HZ LYS 12 -3.239 -10.614 -13.505 106 HZ3 LYS 12 2HZ LYS 12 -4.054 -11.895 -12.765 107 H ASP 13 H ASP 13 -7.178 -8.956 -16.385 108 HA ASP 13 HA ASP 13 -8.638 -9.574 -13.909 109 HB2 ASP 13 2HB ASP 13 -6.848 -7.220 -14.561 110 HB3 ASP 13 1HB ASP 13 -7.601 -7.537 -12.999 111 H THR 14 H THR 14 -10.731 -9.111 -13.932 112 HA THR 14 HA THR 14 -11.842 -7.093 -15.701 113 HB THR 14 HB THR 14 -14.044 -7.855 -14.821 114 HG1 THR 14 HG1 THR 14 -13.761 -9.964 -13.553 115 HG21 THR 14 3HG2 THR 14 -12.216 -10.095 -15.719 116 HG22 THR 14 1HG2 THR 14 -13.057 -8.962 -16.779 117 HG23 THR 14 2HG2 THR 14 -13.976 -10.104 -15.799 118 H THR 15 H THR 15 -13.994 -6.087 -14.312 119 HA THR 15 HA THR 15 -12.651 -4.098 -12.658 120 HB THR 15 HB THR 15 -14.765 -2.848 -12.749 121 HG1 THR 15 HG1 THR 15 -16.565 -3.705 -13.735 122 HG21 THR 15 3HG2 THR 15 -14.841 -2.438 -15.171 123 HG22 THR 15 1HG2 THR 15 -13.944 -3.931 -15.455 124 HG23 THR 15 2HG2 THR 15 -13.177 -2.591 -14.608 125 H PHE 16 H PHE 16 -12.987 -3.723 -10.516 126 HA PHE 16 HA PHE 16 -14.473 -5.741 -8.988 127 HB2 PHE 16 2HB PHE 16 -12.510 -3.625 -8.052 128 HB3 PHE 16 1HB PHE 16 -13.246 -4.856 -7.032 129 HD1 PHE 16 HD1 PHE 16 -10.922 -4.320 -9.863 130 HD2 PHE 16 HD2 PHE 16 -12.335 -7.049 -6.908 131 HE1 PHE 16 HE1 PHE 16 -9.058 -5.839 -10.376 132 HE2 PHE 16 HE2 PHE 16 -10.468 -8.568 -7.418 133 HZ PHE 16 HZ PHE 16 -8.827 -7.963 -9.154 134 H GLY 17 H GLY 17 -15.742 -4.992 -7.076 135 HA2 GLY 17 2HA GLY 17 -17.467 -2.760 -7.752 136 HA3 GLY 17 1HA GLY 17 -17.640 -3.836 -6.372 137 H GLU 18 H GLU 18 -18.065 -2.036 -4.966 138 HA GLU 18 HA GLU 18 -16.330 0.165 -4.681 139 HB2 GLU 18 2HB GLU 18 -17.431 0.558 -2.511 140 HB3 GLU 18 1HB GLU 18 -18.597 0.223 -3.785 141 HG2 GLU 18 2HG GLU 18 -18.880 -2.049 -2.964 142 HG3 GLU 18 1HG GLU 18 -17.650 -1.776 -1.732 143 H LEU 19 H LEU 19 -14.217 -0.050 -4.289 144 HA LEU 19 HA LEU 19 -13.153 -2.064 -2.513 145 HB2 LEU 19 2HB LEU 19 -11.813 0.318 -3.819 146 HB3 LEU 19 1HB LEU 19 -10.980 -0.956 -2.947 147 HG LEU 19 HG LEU 19 -12.545 -1.321 -5.511 148 HD11 LEU 19 1HD1 LEU 19 -10.460 -0.096 -5.856 149 HD12 LEU 19 2HD1 LEU 19 -10.365 -1.717 -6.544 150 HD13 LEU 19 3HD1 LEU 19 -9.566 -1.359 -5.013 151 HD21 LEU 19 3HD2 LEU 19 -11.652 -3.595 -5.509 152 HD22 LEU 19 1HD2 LEU 19 -12.634 -3.307 -4.073 153 HD23 LEU 19 2HD2 LEU 19 -10.874 -3.303 -3.954 154 H LYS 20 H LYS 20 -13.108 -1.868 -0.352 155 HA LYS 20 HA LYS 20 -13.433 0.818 0.810 156 HB2 LYS 20 2HB LYS 20 -13.899 -1.916 2.026 157 HB3 LYS 20 1HB LYS 20 -14.071 -0.399 2.896 158 HG2 LYS 20 2HG LYS 20 -15.884 0.283 1.478 159 HG3 LYS 20 1HG LYS 20 -15.650 -1.119 0.434 160 HD2 LYS 20 2HD LYS 20 -17.551 -1.453 1.920 161 HD3 LYS 20 1HD LYS 20 -16.271 -2.607 2.282 162 HE2 LYS 20 2HE LYS 20 -16.613 -0.032 3.814 163 HE3 LYS 20 1HE LYS 20 -17.454 -1.513 4.260 164 HZ1 LYS 20 3HZ LYS 20 -14.521 -1.065 4.212 165 HZ2 LYS 20 1HZ LYS 20 -15.235 -2.585 4.423 166 HZ3 LYS 20 2HZ LYS 20 -15.495 -1.358 5.557 167 H PHE 21 H PHE 21 -11.727 1.796 1.572 168 HA PHE 21 HA PHE 21 -9.207 0.702 2.116 169 HB2 PHE 21 2HB PHE 21 -9.648 3.112 1.765 170 HB3 PHE 21 1HB PHE 21 -10.517 3.175 3.291 171 HD1 PHE 21 HD2 PHE 21 -9.257 2.810 5.438 172 HD2 PHE 21 HD1 PHE 21 -7.302 3.327 1.687 173 HE1 PHE 21 HE2 PHE 21 -7.168 3.369 6.606 174 HE2 PHE 21 HE1 PHE 21 -5.213 3.885 2.853 175 HZ PHE 21 HZ PHE 21 -5.145 3.909 5.314 176 H SER 22 H SER 22 -8.697 -0.785 3.675 177 HA SER 22 HA SER 22 -10.387 -0.900 6.083 178 HB2 SER 22 2HB SER 22 -8.369 -2.907 5.042 179 HB3 SER 22 1HB SER 22 -9.414 -3.137 6.444 180 HG SER 22 HG SER 22 -10.384 -2.604 3.833 181 H ALA 23 H ALA 23 -6.885 -1.369 5.432 182 HA ALA 23 HA ALA 23 -6.162 0.459 7.538 183 HB1 ALA 23 3HB ALA 23 -5.634 -2.488 7.954 184 HB2 ALA 23 1HB ALA 23 -6.783 -1.503 8.861 185 HB3 ALA 23 2HB ALA 23 -5.054 -1.174 8.983 186 H LEU 24 H LEU 24 -3.704 0.241 8.007 187 HA LEU 24 HA LEU 24 -2.286 0.053 5.459 188 HB2 LEU 24 2HB LEU 24 -1.923 2.027 6.846 189 HB3 LEU 24 1HB LEU 24 -1.416 1.022 8.190 190 HG LEU 24 HG LEU 24 0.578 0.322 6.922 191 HD11 LEU 24 1HD1 LEU 24 1.176 1.407 4.827 192 HD12 LEU 24 2HD1 LEU 24 -0.361 2.273 4.815 193 HD13 LEU 24 3HD1 LEU 24 -0.335 0.515 4.655 194 HD21 LEU 24 3HD2 LEU 24 0.222 3.317 7.089 195 HD22 LEU 24 1HD2 LEU 24 1.761 2.460 7.014 196 HD23 LEU 24 2HD2 LEU 24 0.704 2.252 8.408 197 H ARG 25 H ARG 25 -1.627 -1.937 4.916 198 HA ARG 25 HA ARG 25 -1.337 -4.111 6.674 199 HB2 ARG 25 2HB ARG 25 -1.805 -4.370 4.283 200 HB3 ARG 25 1HB ARG 25 -0.219 -3.727 3.886 201 HG2 ARG 25 2HG ARG 25 -0.187 -6.111 3.632 202 HG3 ARG 25 1HG ARG 25 0.815 -5.677 5.017 203 HD2 ARG 25 2HD ARG 25 -0.812 -6.438 6.556 204 HD3 ARG 25 1HD ARG 25 -2.066 -6.510 5.319 205 HE ARG 25 HE ARG 25 0.149 -8.413 5.651 206 HH11 ARG 25 1HH1 ARG 25 -2.853 -7.520 4.212 207 HH12 ARG 25 2HH1 ARG 25 -3.105 -9.089 3.522 208 HH21 ARG 25 1HH2 ARG 25 -0.179 -10.420 4.735 209 HH22 ARG 25 2HH2 ARG 25 -1.601 -10.710 3.795 210 H ARG 26 H ARG 26 1.247 -2.338 4.914 211 HA ARG 26 HA ARG 26 3.055 -2.351 7.092 212 HB2 ARG 26 2HB ARG 26 3.106 -4.768 6.682 213 HB3 ARG 26 1HB ARG 26 3.534 -4.489 4.998 214 HG2 ARG 26 2HG ARG 26 5.670 -3.572 5.643 215 HG3 ARG 26 1HG ARG 26 5.239 -3.685 7.351 216 HD2 ARG 26 2HD ARG 26 5.608 -5.983 5.424 217 HD3 ARG 26 1HD ARG 26 6.689 -5.536 6.743 218 HE ARG 26 HE ARG 26 4.057 -6.058 7.684 219 HH11 ARG 26 1HH1 ARG 26 6.952 -7.637 6.665 220 HH12 ARG 26 2HH1 ARG 26 6.591 -9.073 7.560 221 HH21 ARG 26 1HH2 ARG 26 3.622 -7.907 8.809 222 HH22 ARG 26 2HH2 ARG 26 4.750 -9.223 8.756 223 H GLU 27 H GLU 27 4.456 -0.761 6.765 224 HA GLU 27 HA GLU 27 5.161 0.068 4.031 225 HB2 GLU 27 2HB GLU 27 5.815 1.394 6.681 226 HB3 GLU 27 1HB GLU 27 6.109 2.068 5.084 227 HG2 GLU 27 2HG GLU 27 3.711 2.180 4.670 228 HG3 GLU 27 1HG GLU 27 3.393 1.461 6.251 229 H VAL 28 H VAL 28 6.747 -1.322 3.313 230 HA VAL 28 HA VAL 28 8.833 -2.250 5.079 231 HB VAL 28 HB VAL 28 9.796 -3.349 3.072 232 HG11 VAL 28 1HG1 VAL 28 7.963 -4.946 2.737 233 HG12 VAL 28 2HG1 VAL 28 6.838 -3.808 3.477 234 HG13 VAL 28 3HG1 VAL 28 8.141 -4.508 4.435 235 HG21 VAL 28 3HG2 VAL 28 9.131 -1.720 1.365 236 HG22 VAL 28 1HG2 VAL 28 7.435 -2.146 1.609 237 HG23 VAL 28 2HG2 VAL 28 8.561 -3.334 0.956 238 H ARG 29 H ARG 29 10.520 -1.063 5.649 239 HA ARG 29 HA ARG 29 11.351 1.216 4.051 240 HB2 ARG 29 2HB ARG 29 12.108 0.242 6.804 241 HB3 ARG 29 1HB ARG 29 12.957 1.569 6.019 242 HG2 ARG 29 2HG ARG 29 10.848 2.810 5.837 243 HG3 ARG 29 1HG ARG 29 10.005 1.490 6.647 244 HD2 ARG 29 2HD ARG 29 11.209 1.865 8.676 245 HD3 ARG 29 1HD ARG 29 12.314 2.985 7.882 246 HE ARG 29 HE ARG 29 10.654 4.630 7.905 247 HH11 ARG 29 1HH1 ARG 29 9.538 1.701 9.360 248 HH12 ARG 29 2HH1 ARG 29 8.156 2.462 10.071 249 HH21 ARG 29 1HH2 ARG 29 8.902 5.584 8.845 250 HH22 ARG 29 2HH2 ARG 29 7.796 4.632 9.775 251 H ILE 30 H ILE 30 13.790 1.634 3.925 252 HA ILE 30 HA ILE 30 14.842 -0.482 2.267 253 HB ILE 30 HB ILE 30 16.133 2.159 2.990 254 HG12 ILE 30 2HG1 ILE 30 14.399 1.499 0.586 255 HG13 ILE 30 1HG1 ILE 30 13.851 2.414 1.987 256 HG21 ILE 30 1HG2 ILE 30 16.616 0.265 0.680 257 HG22 ILE 30 2HG2 ILE 30 17.702 0.554 2.041 258 HG23 ILE 30 3HG2 ILE 30 17.377 1.844 0.884 259 HD11 ILE 30 3HD1 ILE 30 16.038 3.225 0.082 260 HD12 ILE 30 1HD1 ILE 30 15.508 4.141 1.495 261 HD13 ILE 30 2HD1 ILE 30 14.400 3.881 0.150 262 H GLN 31 H GLN 31 16.177 -2.067 2.938 263 HA GLN 31 HA GLN 31 17.510 -1.846 5.531 264 HB2 GLN 31 2HB GLN 31 16.214 -3.884 4.967 265 HB3 GLN 31 1HB GLN 31 17.319 -4.204 3.636 266 HG2 GLN 31 2HG GLN 31 19.156 -4.494 5.204 267 HG3 GLN 31 1HG GLN 31 18.087 -4.102 6.551 268 HE21 GLN 31 1HE2 GLN 31 18.413 -6.073 7.545 269 HE22 GLN 31 2HE2 GLN 31 17.760 -7.546 6.931 270 H ASN 32 H ASN 32 19.490 -0.997 5.596 271 HA ASN 32 HA ASN 32 21.084 -0.407 3.369 272 HB2 ASN 32 2HB ASN 32 21.933 -0.641 6.268 273 HB3 ASN 32 1HB ASN 32 22.851 0.160 4.995 274 HD21 ASN 32 1HD2 ASN 32 20.134 0.363 7.121 275 HD22 ASN 32 2HD2 ASN 32 19.759 2.018 6.803 276 H GLU 33 H GLU 33 23.311 -1.116 2.925 277 HA GLU 33 HA GLU 33 23.607 -3.823 2.390 278 HB2 GLU 33 2HB GLU 33 25.862 -1.865 2.902 279 HB3 GLU 33 1HB GLU 33 25.962 -3.347 1.963 280 HG2 GLU 33 2HG GLU 33 24.279 -0.948 1.241 281 HG3 GLU 33 1HG GLU 33 25.867 -1.309 0.573 282 H ASP 34 H ASP 34 24.452 -2.039 5.289 283 HA ASP 34 HA ASP 34 26.074 -3.985 6.550 284 HB2 ASP 34 2HB ASP 34 24.354 -1.888 7.893 285 HB3 ASP 34 1HB ASP 34 25.803 -2.650 8.543 286 H GLY 35 H GLY 35 22.793 -4.150 5.860 287 HA2 GLY 35 2HA GLY 35 21.417 -5.995 6.380 288 HA3 GLY 35 1HA GLY 35 22.423 -6.337 7.777 289 H SER 36 H SER 36 22.030 -3.193 8.166 290 HA SER 36 HA SER 36 19.731 -3.534 9.946 291 HB2 SER 36 2HB SER 36 21.649 -1.197 9.702 292 HB3 SER 36 1HB SER 36 20.426 -1.413 10.956 293 HG SER 36 HG SER 36 22.022 -2.350 11.971 294 H VAL 37 H VAL 37 17.893 -2.229 9.910 295 HA VAL 37 HA VAL 37 17.063 -1.353 7.300 296 HB VAL 37 HB VAL 37 15.603 -1.024 9.934 297 HG11 VAL 37 1HG1 VAL 37 13.575 -0.997 8.554 298 HG12 VAL 37 2HG1 VAL 37 14.565 -1.105 7.097 299 HG13 VAL 37 3HG1 VAL 37 14.664 0.323 8.128 300 HG21 VAL 37 3HG2 VAL 37 16.224 -3.359 9.616 301 HG22 VAL 37 1HG2 VAL 37 15.521 -3.345 7.997 302 HG23 VAL 37 2HG2 VAL 37 14.486 -3.150 9.412 303 H SER 38 H SER 38 16.355 0.777 6.710 304 HA SER 38 HA SER 38 17.706 2.944 8.191 305 HB2 SER 38 2HB SER 38 18.382 2.662 5.827 306 HB3 SER 38 1HB SER 38 16.711 2.919 5.327 307 HG SER 38 HG SER 38 18.374 4.770 5.415 308 H ASP 39 H ASP 39 16.609 5.126 7.957 309 HA ASP 39 HA ASP 39 13.963 5.042 9.019 310 HB2 ASP 39 2HB ASP 39 15.401 7.465 7.905 311 HB3 ASP 39 1HB ASP 39 14.118 7.441 9.114 312 H GLU 40 H GLU 40 15.297 5.409 5.833 313 HA GLU 40 HA GLU 40 13.008 6.625 4.623 314 HB2 GLU 40 2HB GLU 40 15.404 5.246 3.402 315 HB3 GLU 40 1HB GLU 40 14.194 6.141 2.488 316 HG2 GLU 40 2HG GLU 40 15.872 7.330 4.683 317 HG3 GLU 40 1HG GLU 40 16.294 7.395 2.974 318 H ILE 41 H ILE 41 11.536 5.736 3.193 319 HA ILE 41 HA ILE 41 10.908 2.917 3.745 320 HB ILE 41 HB ILE 41 9.104 5.071 2.605 321 HG12 ILE 41 2HG1 ILE 41 9.287 3.971 5.429 322 HG13 ILE 41 1HG1 ILE 41 9.803 5.573 4.920 323 HG21 ILE 41 1HG2 ILE 41 7.277 3.517 3.116 324 HG22 ILE 41 2HG2 ILE 41 8.446 2.316 3.667 325 HG23 ILE 41 3HG2 ILE 41 8.417 2.807 1.973 326 HD11 ILE 41 3HD1 ILE 41 6.984 4.522 4.888 327 HD12 ILE 41 1HD1 ILE 41 7.487 6.124 4.341 328 HD13 ILE 41 2HD1 ILE 41 7.667 5.673 6.037 329 H LYS 42 H LYS 42 10.189 1.512 2.039 330 HA LYS 42 HA LYS 42 11.273 2.213 -0.616 331 HB2 LYS 42 2HB LYS 42 12.317 0.281 0.550 332 HB3 LYS 42 1HB LYS 42 10.753 -0.523 0.578 333 HG2 LYS 42 2HG LYS 42 12.001 -1.454 -1.214 334 HG3 LYS 42 1HG LYS 42 10.749 -0.435 -1.922 335 HD2 LYS 42 2HD LYS 42 12.388 1.363 -2.243 336 HD3 LYS 42 1HD LYS 42 13.641 0.352 -1.518 337 HE2 LYS 42 2HE LYS 42 12.124 -0.232 -4.064 338 HE3 LYS 42 1HE LYS 42 13.797 0.315 -3.948 339 HZ1 LYS 42 3HZ LYS 42 14.373 -1.733 -2.833 340 HZ2 LYS 42 1HZ LYS 42 13.626 -2.081 -4.308 341 HZ3 LYS 42 2HZ LYS 42 12.764 -2.256 -2.865 342 H GLU 43 H GLU 43 8.672 0.157 0.768 343 HA GLU 43 HA GLU 43 6.833 1.149 -1.303 344 HB2 GLU 43 2HB GLU 43 7.121 -1.773 -0.535 345 HB3 GLU 43 1HB GLU 43 5.970 -1.118 -1.694 346 HG2 GLU 43 2HG GLU 43 7.846 -0.403 -3.117 347 HG3 GLU 43 1HG GLU 43 8.973 -1.109 -1.966 348 H ARG 44 H ARG 44 4.744 1.452 -0.648 349 HA ARG 44 HA ARG 44 4.111 0.914 2.189 350 HB2 ARG 44 2HB ARG 44 3.146 3.030 0.264 351 HB3 ARG 44 1HB ARG 44 2.293 2.685 1.762 352 HG2 ARG 44 2HG ARG 44 4.261 3.269 3.055 353 HG3 ARG 44 1HG ARG 44 5.177 3.546 1.571 354 HD2 ARG 44 2HD ARG 44 3.964 5.478 1.041 355 HD3 ARG 44 1HD ARG 44 2.631 5.048 2.114 356 HE ARG 44 HE ARG 44 4.437 5.398 3.930 357 HH11 ARG 44 1HH1 ARG 44 4.136 7.255 1.032 358 HH12 ARG 44 2HH1 ARG 44 4.774 8.685 1.764 359 HH21 ARG 44 1HH2 ARG 44 5.223 7.231 4.855 360 HH22 ARG 44 2HH2 ARG 44 5.402 8.668 3.908 361 H THR 45 H THR 45 2.853 -0.835 2.477 362 HA THR 45 HA THR 45 0.994 -1.619 0.327 363 HB THR 45 HB THR 45 2.060 -3.278 2.630 364 HG1 THR 45 HG1 THR 45 3.106 -2.645 0.216 365 HG21 THR 45 3HG2 THR 45 -0.150 -4.051 1.952 366 HG22 THR 45 1HG2 THR 45 1.079 -5.185 1.390 367 HG23 THR 45 2HG2 THR 45 0.342 -4.051 0.257 368 H TYR 46 H TYR 46 -1.084 -1.241 0.569 369 HA TYR 46 HA TYR 46 -2.301 -1.019 3.244 370 HB2 TYR 46 2HB TYR 46 -3.020 0.067 0.537 371 HB3 TYR 46 1HB TYR 46 -4.278 -0.142 1.742 372 HD1 TYR 46 HD2 TYR 46 -3.731 0.919 4.099 373 HD2 TYR 46 HD1 TYR 46 -1.926 2.126 0.434 374 HE1 TYR 46 HE2 TYR 46 -3.240 3.119 5.070 375 HE2 TYR 46 HE1 TYR 46 -1.434 4.333 1.402 376 HH TYR 46 HH TYR 46 -1.801 5.002 4.761 377 H ASP 47 H ASP 47 -4.419 -1.997 3.582 378 HA ASP 47 HA ASP 47 -4.939 -4.370 1.901 379 HB2 ASP 47 2HB ASP 47 -5.716 -3.750 4.759 380 HB3 ASP 47 1HB ASP 47 -6.350 -5.125 3.862 381 H LEU 48 H LEU 48 -6.512 -4.084 0.437 382 HA LEU 48 HA LEU 48 -8.834 -2.394 1.160 383 HB2 LEU 48 2HB LEU 48 -7.808 -3.114 -1.596 384 HB3 LEU 48 1HB LEU 48 -9.231 -2.143 -1.267 385 HG LEU 48 HG LEU 48 -6.357 -1.407 -0.700 386 HD11 LEU 48 1HD1 LEU 48 -8.410 -0.209 -2.566 387 HD12 LEU 48 2HD1 LEU 48 -7.000 -1.164 -3.032 388 HD13 LEU 48 3HD1 LEU 48 -6.784 0.417 -2.283 389 HD21 LEU 48 3HD2 LEU 48 -7.225 0.741 0.119 390 HD22 LEU 48 1HD2 LEU 48 -7.741 -0.608 1.130 391 HD23 LEU 48 2HD2 LEU 48 -8.871 0.120 -0.011 392 H LYS 49 H LYS 49 -10.924 -3.199 0.840 393 HA LYS 49 HA LYS 49 -11.082 -6.123 0.493 394 HB2 LYS 49 2HB LYS 49 -13.155 -4.241 1.646 395 HB3 LYS 49 1HB LYS 49 -13.234 -5.995 1.636 396 HG2 LYS 49 2HG LYS 49 -11.226 -4.317 3.130 397 HG3 LYS 49 1HG LYS 49 -12.614 -5.149 3.828 398 HD2 LYS 49 2HD LYS 49 -10.334 -6.528 2.399 399 HD3 LYS 49 1HD LYS 49 -10.448 -6.339 4.148 400 HE2 LYS 49 2HE LYS 49 -12.466 -7.786 2.423 401 HE3 LYS 49 1HE LYS 49 -11.199 -8.563 3.371 402 HZ1 LYS 49 3HZ LYS 49 -12.214 -7.481 5.363 403 HZ2 LYS 49 1HZ LYS 49 -13.181 -8.657 4.632 404 HZ3 LYS 49 2HZ LYS 49 -13.519 -7.023 4.388 405 H SER 50 H SER 50 -11.929 -6.957 -1.298 406 HA SER 50 HA SER 50 -13.141 -5.278 -3.316 407 HB2 SER 50 2HB SER 50 -12.683 -8.279 -3.268 408 HB3 SER 50 1HB SER 50 -13.204 -7.351 -4.674 409 HG SER 50 HG SER 50 -10.984 -7.646 -4.768 410 H LYS 51 H LYS 51 -15.247 -4.841 -3.460 411 HA LYS 51 HA LYS 51 -17.262 -5.773 -1.806 412 HB2 LYS 51 2HB LYS 51 -17.422 -3.718 -3.104 413 HB3 LYS 51 1HB LYS 51 -17.460 -4.629 -4.600 414 HG2 LYS 51 2HG LYS 51 -19.596 -5.161 -2.591 415 HG3 LYS 51 1HG LYS 51 -19.653 -3.645 -3.493 416 HD2 LYS 51 2HD LYS 51 -19.573 -4.927 -5.608 417 HD3 LYS 51 1HD LYS 51 -19.584 -6.428 -4.681 418 HE2 LYS 51 2HE LYS 51 -21.766 -5.842 -3.745 419 HE3 LYS 51 1HE LYS 51 -21.752 -4.324 -4.644 420 HZ1 LYS 51 3HZ LYS 51 -23.081 -6.045 -5.725 421 HZ2 LYS 51 1HZ LYS 51 -21.715 -7.029 -5.867 422 HZ3 LYS 51 2HZ LYS 51 -21.785 -5.559 -6.701 423 H GLY 52 H GLY 52 -18.949 -7.281 -2.004 424 HA2 GLY 52 2HA GLY 52 -20.152 -9.056 -2.914 425 HA3 GLY 52 1HA GLY 52 -19.117 -9.012 -4.332 426 H GLN 53 H GLN 53 -16.643 -9.473 -3.413 427 HA GLN 53 HA GLN 53 -16.765 -12.226 -2.497 428 HB2 GLN 53 2HB GLN 53 -14.432 -10.496 -3.351 429 HB3 GLN 53 1HB GLN 53 -14.310 -12.204 -2.943 430 HG2 GLN 53 2HG GLN 53 -16.011 -11.091 -5.173 431 HG3 GLN 53 1HG GLN 53 -14.392 -11.760 -5.379 432 HE21 GLN 53 1HE2 GLN 53 -14.098 -13.962 -5.241 433 HE22 GLN 53 2HE2 GLN 53 -15.406 -15.088 -5.241 434 H GLY 54 H GLY 54 -15.818 -9.100 -1.250 435 HA2 GLY 54 2HA GLY 54 -15.197 -8.392 0.838 436 HA3 GLY 54 1HA GLY 54 -15.939 -9.863 1.444 437 H ARG 55 H ARG 55 -13.183 -9.752 -0.756 438 HA ARG 55 HA ARG 55 -11.553 -11.075 1.311 439 HB2 ARG 55 2HB ARG 55 -11.195 -11.023 -1.695 440 HB3 ARG 55 1HB ARG 55 -10.169 -11.895 -0.561 441 HG2 ARG 55 2HG ARG 55 -12.166 -13.221 0.125 442 HG3 ARG 55 1HG ARG 55 -13.079 -12.421 -1.155 443 HD2 ARG 55 2HD ARG 55 -11.454 -13.284 -2.808 444 HD3 ARG 55 1HD ARG 55 -10.617 -14.136 -1.510 445 HE ARG 55 HE ARG 55 -13.441 -14.748 -1.895 446 HH11 ARG 55 1HH1 ARG 55 -10.155 -15.693 -2.263 447 HH12 ARG 55 2HH1 ARG 55 -10.547 -17.312 -2.714 448 HH21 ARG 55 1HH2 ARG 55 -13.948 -16.841 -2.445 449 HH22 ARG 55 2HH2 ARG 55 -12.682 -17.954 -2.831 450 H MET 56 H MET 56 -9.320 -10.485 1.559 451 HA MET 56 HA MET 56 -8.956 -7.598 1.199 452 HB2 MET 56 2HB MET 56 -7.147 -7.835 2.887 453 HB3 MET 56 1HB MET 56 -8.716 -8.368 3.466 454 HG2 MET 56 2HG MET 56 -8.078 -10.688 3.128 455 HG3 MET 56 1HG MET 56 -6.518 -10.180 2.487 456 HE1 MET 56 3HE MET 56 -7.812 -9.502 6.867 457 HE2 MET 56 1HE MET 56 -8.835 -10.289 5.663 458 HE3 MET 56 2HE MET 56 -8.463 -8.569 5.517 459 H ILE 57 H ILE 57 -7.879 -6.942 -0.536 460 HA ILE 57 HA ILE 57 -5.666 -8.551 -1.621 461 HB ILE 57 HB ILE 57 -5.756 -6.973 -3.551 462 HG12 ILE 57 2HG1 ILE 57 -8.190 -5.857 -2.118 463 HG13 ILE 57 1HG1 ILE 57 -6.664 -5.011 -2.344 464 HG21 ILE 57 1HG2 ILE 57 -7.855 -7.824 -4.496 465 HG22 ILE 57 2HG2 ILE 57 -8.393 -8.296 -2.882 466 HG23 ILE 57 3HG2 ILE 57 -6.995 -9.088 -3.610 467 HD11 ILE 57 3HD1 ILE 57 -7.015 -5.043 -4.767 468 HD12 ILE 57 1HD1 ILE 57 -8.331 -4.235 -3.916 469 HD13 ILE 57 2HD1 ILE 57 -8.554 -5.874 -4.525 470 H GLN 58 H GLN 58 -3.524 -7.868 -1.541 471 HA GLN 58 HA GLN 58 -2.980 -5.594 0.208 472 HB2 GLN 58 2HB GLN 58 -1.202 -7.704 -1.032 473 HB3 GLN 58 1HB GLN 58 -0.574 -6.371 -0.077 474 HG2 GLN 58 2HG GLN 58 -0.767 -8.455 1.206 475 HG3 GLN 58 1HG GLN 58 -1.750 -7.158 1.881 476 HE21 GLN 58 1HE2 GLN 58 -3.964 -7.375 1.914 477 HE22 GLN 58 2HE2 GLN 58 -4.774 -8.839 1.469 478 H VAL 59 H VAL 59 -3.104 -3.657 -0.788 479 HA VAL 59 HA VAL 59 -2.098 -3.365 -3.523 480 HB VAL 59 HB VAL 59 -3.642 -1.412 -1.798 481 HG11 VAL 59 1HG1 VAL 59 -3.905 -0.091 -3.849 482 HG12 VAL 59 2HG1 VAL 59 -2.864 -1.220 -4.717 483 HG13 VAL 59 3HG1 VAL 59 -2.206 -0.243 -3.402 484 HG21 VAL 59 3HG2 VAL 59 -5.511 -1.921 -3.323 485 HG22 VAL 59 1HG2 VAL 59 -4.972 -3.355 -2.445 486 HG23 VAL 59 2HG2 VAL 59 -4.514 -3.127 -4.134 487 H SER 60 H SER 60 -0.055 -2.772 -3.826 488 HA SER 60 HA SER 60 1.309 -1.280 -1.668 489 HB2 SER 60 2HB SER 60 2.248 -3.518 -2.156 490 HB3 SER 60 1HB SER 60 2.565 -3.012 -3.816 491 HG SER 60 HG SER 60 4.423 -2.753 -2.553 492 H ILE 61 H ILE 61 2.133 0.669 -2.032 493 HA ILE 61 HA ILE 61 2.327 1.657 -4.808 494 HB ILE 61 HB ILE 61 1.767 3.934 -3.901 495 HG12 ILE 61 2HG1 ILE 61 0.978 2.341 -1.439 496 HG13 ILE 61 1HG1 ILE 61 2.279 3.521 -1.534 497 HG21 ILE 61 1HG2 ILE 61 -0.655 3.538 -3.810 498 HG22 ILE 61 2HG2 ILE 61 -0.364 1.812 -3.601 499 HG23 ILE 61 3HG2 ILE 61 0.108 2.610 -5.102 500 HD11 ILE 61 3HD1 ILE 61 0.642 5.287 -1.942 501 HD12 ILE 61 1HD1 ILE 61 0.332 4.441 -0.427 502 HD13 ILE 61 2HD1 ILE 61 -0.659 4.101 -1.844 503 HA PRO 62 HA PRO 62 6.600 2.640 -4.174 504 HB2 PRO 62 2HB PRO 62 5.930 5.274 -5.421 505 HB3 PRO 62 1HB PRO 62 7.199 4.117 -5.845 506 HG2 PRO 62 2HG PRO 62 5.016 4.300 -7.339 507 HG3 PRO 62 1HG PRO 62 5.720 2.712 -6.974 508 HD2 PRO 62 2HD PRO 62 3.299 4.028 -5.799 509 HD3 PRO 62 1HD PRO 62 3.570 2.320 -6.208 510 H ALA 63 H ALA 63 8.013 3.861 -2.881 511 HA ALA 63 HA ALA 63 7.093 4.709 -0.431 512 HB1 ALA 63 3HB ALA 63 9.406 4.042 -0.910 513 HB2 ALA 63 1HB ALA 63 9.323 5.558 -0.014 514 HB3 ALA 63 2HB ALA 63 9.666 5.574 -1.744 515 H SER 64 H SER 64 7.958 6.827 -3.179 516 HA SER 64 HA SER 64 7.655 9.231 -1.669 517 HB2 SER 64 2HB SER 64 7.825 8.796 -4.659 518 HB3 SER 64 1HB SER 64 7.814 10.384 -3.891 519 HG SER 64 HG SER 64 9.905 8.960 -4.363 520 H VAL 65 H VAL 65 5.280 7.178 -2.792 521 HA VAL 65 HA VAL 65 3.304 9.195 -3.429 522 HB VAL 65 HB VAL 65 2.915 6.244 -2.829 523 HG11 VAL 65 1HG1 VAL 65 1.023 8.253 -4.068 524 HG12 VAL 65 2HG1 VAL 65 0.867 7.529 -2.465 525 HG13 VAL 65 3HG1 VAL 65 0.723 6.522 -3.907 526 HG21 VAL 65 3HG2 VAL 65 2.732 5.984 -5.269 527 HG22 VAL 65 1HG2 VAL 65 4.317 6.599 -4.798 528 HG23 VAL 65 2HG2 VAL 65 3.111 7.695 -5.479 529 HA PRO 66 HA PRO 66 2.678 10.411 0.828 530 HB2 PRO 66 2HB PRO 66 0.029 11.247 -0.289 531 HB3 PRO 66 1HB PRO 66 1.173 12.161 0.705 532 HG2 PRO 66 2HG PRO 66 1.010 12.645 -1.891 533 HG3 PRO 66 1HG PRO 66 2.596 12.583 -1.097 534 HD2 PRO 66 2HD PRO 66 1.260 10.533 -2.826 535 HD3 PRO 66 1HD PRO 66 2.968 11.018 -2.767 536 H LEU 67 H LEU 67 1.725 9.573 2.629 537 HA LEU 67 HA LEU 67 0.305 7.105 2.415 538 HB2 LEU 67 2HB LEU 67 1.972 7.865 4.220 539 HB3 LEU 67 1HB LEU 67 0.625 8.741 4.925 540 HG LEU 67 HG LEU 67 -0.606 6.582 5.155 541 HD11 LEU 67 1HD1 LEU 67 0.489 5.321 3.378 542 HD12 LEU 67 2HD1 LEU 67 0.630 4.481 4.923 543 HD13 LEU 67 3HD1 LEU 67 2.013 5.362 4.271 544 HD21 LEU 67 3HD2 LEU 67 0.723 5.730 7.030 545 HD22 LEU 67 1HD2 LEU 67 0.631 7.492 7.042 546 HD23 LEU 67 2HD2 LEU 67 2.101 6.689 6.490 547 H LYS 68 H LYS 68 -1.866 6.702 2.530 548 HA LYS 68 HA LYS 68 -3.607 8.981 2.164 549 HB2 LYS 68 2HB LYS 68 -3.974 6.007 1.914 550 HB3 LYS 68 1HB LYS 68 -5.362 7.083 1.874 551 HG2 LYS 68 2HG LYS 68 -4.602 6.499 -0.375 552 HG3 LYS 68 1HG LYS 68 -4.464 8.230 -0.068 553 HD2 LYS 68 2HD LYS 68 -2.061 7.961 0.361 554 HD3 LYS 68 1HD LYS 68 -2.201 6.228 0.067 555 HE2 LYS 68 2HE LYS 68 -1.307 7.419 -1.883 556 HE3 LYS 68 1HE LYS 68 -2.850 6.649 -2.239 557 HZ1 LYS 68 3HZ LYS 68 -3.947 8.785 -2.000 558 HZ2 LYS 68 1HZ LYS 68 -2.715 8.881 -3.159 559 HZ3 LYS 68 2HZ LYS 68 -2.474 9.533 -1.620 560 H GLU 69 H GLU 69 -3.921 6.106 4.280 561 HA GLU 69 HA GLU 69 -4.890 5.799 6.316 562 HB2 GLU 69 2HB GLU 69 -4.151 8.710 6.715 563 HB3 GLU 69 1HB GLU 69 -4.558 7.571 7.992 564 HG2 GLU 69 2HG GLU 69 -2.184 7.370 6.140 565 HG3 GLU 69 1HG GLU 69 -2.147 7.931 7.810 566 H PHE 70 H PHE 70 -6.811 6.179 4.397 567 HA PHE 70 HA PHE 70 -8.776 8.119 5.197 568 HB2 PHE 70 2HB PHE 70 -9.023 5.671 3.430 569 HB3 PHE 70 1HB PHE 70 -10.285 6.877 3.643 570 HD1 PHE 70 HD2 PHE 70 -9.093 9.414 3.390 571 HD2 PHE 70 HD1 PHE 70 -8.039 5.821 1.354 572 HE1 PHE 70 HE2 PHE 70 -8.155 10.738 1.543 573 HE2 PHE 70 HE1 PHE 70 -7.099 7.145 -0.495 574 HZ PHE 70 HZ PHE 70 -7.157 9.603 -0.402 575 H ASP 71 H ASP 71 -11.178 6.740 5.219 576 HA ASP 71 HA ASP 71 -11.152 5.518 7.874 577 HB2 ASP 71 2HB ASP 71 -13.404 6.457 6.081 578 HB3 ASP 71 1HB ASP 71 -13.665 5.684 7.642 579 H TYR 72 H TYR 72 -12.416 3.593 8.344 580 HA TYR 72 HA TYR 72 -11.653 1.369 6.825 581 HB2 TYR 72 2HB TYR 72 -12.080 1.206 9.202 582 HB3 TYR 72 1HB TYR 72 -13.770 1.637 8.971 583 HD1 TYR 72 HD1 TYR 72 -11.258 -0.996 8.131 584 HD2 TYR 72 HD2 TYR 72 -15.378 -0.038 8.647 585 HE1 TYR 72 HE1 TYR 72 -11.836 -3.376 7.913 586 HE2 TYR 72 HE2 TYR 72 -15.962 -2.414 8.429 587 HH TYR 72 HH TYR 72 -13.687 -4.897 8.594 588 H ASN 73 H ASN 73 -14.445 3.374 6.467 589 HA ASN 73 HA ASN 73 -15.646 1.419 4.599 590 HB2 ASN 73 2HB ASN 73 -16.984 3.646 6.170 591 HB3 ASN 73 1HB ASN 73 -17.796 2.608 5.001 592 HD21 ASN 73 1HD2 ASN 73 -18.278 0.500 5.557 593 HD22 ASN 73 2HD2 ASN 73 -18.122 -0.101 7.171 594 H ALA 74 H ALA 74 -13.526 3.565 4.191 595 HA ALA 74 HA ALA 74 -14.786 5.534 2.497 596 HB1 ALA 74 3HB ALA 74 -11.853 4.915 2.861 597 HB2 ALA 74 1HB ALA 74 -12.783 6.074 3.810 598 HB3 ALA 74 2HB ALA 74 -12.531 6.348 2.085 599 H ARG 75 H ARG 75 -15.442 5.130 0.494 600 HA ARG 75 HA ARG 75 -14.596 2.862 -1.037 601 HB2 ARG 75 2HB ARG 75 -16.219 5.293 -1.842 602 HB3 ARG 75 1HB ARG 75 -16.041 3.833 -2.806 603 HG2 ARG 75 2HG ARG 75 -17.296 2.541 -1.294 604 HG3 ARG 75 1HG ARG 75 -17.163 3.752 -0.019 605 HD2 ARG 75 2HD ARG 75 -19.396 3.769 -0.957 606 HD3 ARG 75 1HD ARG 75 -18.571 5.280 -1.336 607 HE ARG 75 HE ARG 75 -18.706 3.106 -3.311 608 HH11 ARG 75 1HH1 ARG 75 -19.394 6.355 -2.381 609 HH12 ARG 75 2HH1 ARG 75 -19.949 6.795 -3.963 610 HH21 ARG 75 1HH2 ARG 75 -19.447 3.711 -5.333 611 HH22 ARG 75 2HH2 ARG 75 -19.976 5.340 -5.584 612 H VAL 76 H VAL 76 -12.658 2.757 -1.997 613 HA VAL 76 HA VAL 76 -11.444 5.215 -3.109 614 HB VAL 76 HB VAL 76 -9.241 4.209 -2.674 615 HG11 VAL 76 1HG1 VAL 76 -9.270 4.355 -0.198 616 HG12 VAL 76 2HG1 VAL 76 -11.035 4.354 -0.248 617 HG13 VAL 76 3HG1 VAL 76 -10.132 5.679 -0.980 618 HG21 VAL 76 3HG2 VAL 76 -9.881 1.841 -2.827 619 HG22 VAL 76 1HG2 VAL 76 -10.776 1.986 -1.312 620 HG23 VAL 76 2HG2 VAL 76 -9.022 2.180 -1.322 621 H GLU 77 H GLU 77 -10.081 4.977 -4.992 622 HA GLU 77 HA GLU 77 -10.273 2.426 -6.437 623 HB2 GLU 77 2HB GLU 77 -10.653 3.584 -8.574 624 HB3 GLU 77 1HB GLU 77 -11.976 3.842 -7.445 625 HG2 GLU 77 2HG GLU 77 -11.202 6.082 -6.977 626 HG3 GLU 77 1HG GLU 77 -9.764 5.829 -7.969 627 H LEU 78 H LEU 78 -8.577 2.087 -8.023 628 HA LEU 78 HA LEU 78 -6.088 3.321 -7.061 629 HB2 LEU 78 2HB LEU 78 -6.573 0.714 -8.504 630 HB3 LEU 78 1HB LEU 78 -4.991 1.312 -8.036 631 HG LEU 78 HG LEU 78 -7.232 0.575 -6.144 632 HD11 LEU 78 1HD1 LEU 78 -4.595 -0.789 -6.713 633 HD12 LEU 78 2HD1 LEU 78 -6.191 -1.370 -7.191 634 HD13 LEU 78 3HD1 LEU 78 -5.767 -1.268 -5.482 635 HD21 LEU 78 3HD2 LEU 78 -5.545 0.944 -4.376 636 HD22 LEU 78 1HD2 LEU 78 -5.936 2.422 -5.255 637 HD23 LEU 78 2HD2 LEU 78 -4.429 1.570 -5.593 638 H ILE 79 H ILE 79 -4.675 4.341 -8.359 639 HA ILE 79 HA ILE 79 -5.420 4.943 -11.104 640 HB ILE 79 HB ILE 79 -3.024 5.845 -9.481 641 HG12 ILE 79 2HG1 ILE 79 -5.125 6.604 -8.481 642 HG13 ILE 79 1HG1 ILE 79 -4.268 7.962 -9.202 643 HG21 ILE 79 1HG2 ILE 79 -2.550 6.046 -11.836 644 HG22 ILE 79 2HG2 ILE 79 -2.844 7.650 -11.172 645 HG23 ILE 79 3HG2 ILE 79 -4.094 6.849 -12.125 646 HD11 ILE 79 3HD1 ILE 79 -5.758 7.874 -11.132 647 HD12 ILE 79 1HD1 ILE 79 -6.649 8.090 -9.625 648 HD13 ILE 79 2HD1 ILE 79 -6.615 6.510 -10.408 649 H ASN 80 H ASN 80 -4.888 3.544 -12.670 650 HA ASN 80 HA ASN 80 -3.916 1.820 -13.802 651 HB2 ASN 80 2HB ASN 80 -1.454 3.438 -13.105 652 HB3 ASN 80 1HB ASN 80 -1.494 2.159 -14.313 653 HD21 ASN 80 1HD2 ASN 80 -2.462 5.373 -13.535 654 HD22 ASN 80 2HD2 ASN 80 -2.993 5.823 -15.107 655 HA PRO 81 HA PRO 81 -2.486 -0.712 -10.158 656 HB2 PRO 81 2HB PRO 81 -4.584 -2.370 -9.952 657 HB3 PRO 81 1HB PRO 81 -4.624 -0.742 -9.263 658 HG2 PRO 81 2HG PRO 81 -5.805 -1.736 -11.833 659 HG3 PRO 81 1HG PRO 81 -6.518 -0.658 -10.618 660 HD2 PRO 81 2HD PRO 81 -5.334 0.212 -12.949 661 HD3 PRO 81 1HD PRO 81 -5.476 1.194 -11.477 662 H ILE 82 H ILE 82 -1.539 -2.751 -10.233 663 HA ILE 82 HA ILE 82 -2.094 -4.532 -12.501 664 HB ILE 82 HB ILE 82 0.352 -5.007 -12.760 665 HG12 ILE 82 2HG1 ILE 82 0.678 -2.499 -11.081 666 HG13 ILE 82 1HG1 ILE 82 1.121 -4.131 -10.593 667 HG21 ILE 82 1HG2 ILE 82 -0.822 -3.583 -14.363 668 HG22 ILE 82 2HG2 ILE 82 0.848 -3.057 -14.152 669 HG23 ILE 82 3HG2 ILE 82 -0.462 -2.164 -13.379 670 HD11 ILE 82 3HD1 ILE 82 2.356 -2.559 -12.844 671 HD12 ILE 82 1HD1 ILE 82 2.794 -4.200 -12.373 672 HD13 ILE 82 2HD1 ILE 82 3.070 -2.860 -11.262 673 H ALA 83 H ALA 83 -2.003 -6.696 -11.997 674 HA ALA 83 HA ALA 83 -1.621 -7.402 -9.191 675 HB1 ALA 83 3HB ALA 83 -3.597 -8.245 -10.353 676 HB2 ALA 83 1HB ALA 83 -2.567 -9.575 -9.822 677 HB3 ALA 83 2HB ALA 83 -2.572 -9.085 -11.516 678 H ASP 84 H ASP 84 0.474 -7.670 -8.623 679 HA ASP 84 HA ASP 84 2.487 -8.484 -10.509 680 HB2 ASP 84 2HB ASP 84 2.615 -6.847 -8.445 681 HB3 ASP 84 1HB ASP 84 2.991 -8.315 -7.551 682 H THR 85 H THR 85 4.134 -10.233 -9.865 683 HA THR 85 HA THR 85 2.724 -12.622 -8.830 684 HB THR 85 HB THR 85 2.811 -12.747 -11.275 685 HG1 THR 85 HG1 THR 85 3.914 -14.584 -9.593 686 HG21 THR 85 3HG2 THR 85 4.966 -12.942 -12.446 687 HG22 THR 85 1HG2 THR 85 5.808 -12.583 -10.938 688 HG23 THR 85 2HG2 THR 85 4.777 -11.363 -11.684 689 H VAL 86 H VAL 86 5.363 -10.631 -8.355 690 HA VAL 86 HA VAL 86 7.542 -12.320 -8.004 691 HB VAL 86 HB VAL 86 8.414 -10.662 -6.360 692 HG11 VAL 86 1HG1 VAL 86 8.791 -10.351 -8.737 693 HG12 VAL 86 2HG1 VAL 86 8.537 -8.790 -7.957 694 HG13 VAL 86 3HG1 VAL 86 7.241 -9.524 -8.900 695 HG21 VAL 86 3HG2 VAL 86 7.118 -8.620 -5.924 696 HG22 VAL 86 1HG2 VAL 86 6.306 -10.048 -5.282 697 HG23 VAL 86 2HG2 VAL 86 5.740 -9.311 -6.780 698 H ALA 87 H ALA 87 4.725 -12.070 -5.988 699 HA ALA 87 HA ALA 87 5.768 -13.244 -3.628 700 HB1 ALA 87 3HB ALA 87 3.626 -12.039 -3.702 701 HB2 ALA 87 1HB ALA 87 3.449 -13.657 -3.020 702 HB3 ALA 87 2HB ALA 87 2.937 -13.336 -4.678 703 H THR 88 H THR 88 4.118 -14.673 -6.459 704 HA THR 88 HA THR 88 4.277 -17.356 -5.446 705 HB THR 88 HB THR 88 3.444 -18.072 -7.636 706 HG1 THR 88 HG1 THR 88 3.793 -16.875 -9.338 707 HG21 THR 88 3HG2 THR 88 1.810 -17.234 -6.024 708 HG22 THR 88 1HG2 THR 88 1.327 -16.804 -7.665 709 HG23 THR 88 2HG2 THR 88 2.049 -15.590 -6.612 710 H ALA 89 H ALA 89 6.538 -15.322 -6.930 711 HA ALA 89 HA ALA 89 8.106 -17.250 -8.324 712 HB1 ALA 89 3HB ALA 89 8.281 -14.848 -8.769 713 HB2 ALA 89 1HB ALA 89 9.848 -15.536 -8.344 714 HB3 ALA 89 2HB ALA 89 8.947 -14.594 -7.155 715 H THR 90 H THR 90 8.172 -15.988 -5.007 716 HA THR 90 HA THR 90 10.435 -17.646 -4.244 717 HB THR 90 HB THR 90 10.154 -16.756 -2.007 718 HG1 THR 90 HG1 THR 90 8.334 -15.218 -1.703 719 HG21 THR 90 3HG2 THR 90 9.702 -14.586 -4.072 720 HG22 THR 90 1HG2 THR 90 11.262 -15.278 -3.620 721 HG23 THR 90 2HG2 THR 90 10.338 -14.340 -2.446 722 H TYR 91 H TYR 91 6.943 -17.550 -3.624 723 HA TYR 91 HA TYR 91 6.780 -19.886 -2.046 724 HB2 TYR 91 2HB TYR 91 4.770 -18.404 -3.741 725 HB3 TYR 91 1HB TYR 91 4.334 -19.891 -2.908 726 HD1 TYR 91 HD2 TYR 91 6.020 -16.630 -2.103 727 HD2 TYR 91 HD1 TYR 91 3.290 -19.655 -0.875 728 HE1 TYR 91 HE2 TYR 91 5.520 -15.344 -0.068 729 HE2 TYR 91 HE1 TYR 91 2.784 -18.379 1.161 730 HH TYR 91 HH TYR 91 3.616 -15.160 1.575 731 H GLN 92 H GLN 92 5.895 -21.965 -2.615 732 HA GLN 92 HA GLN 92 6.754 -22.978 -5.214 733 HB2 GLN 92 2HB GLN 92 7.160 -24.191 -3.027 734 HB3 GLN 92 1HB GLN 92 5.428 -24.467 -2.926 735 HG2 GLN 92 2HG GLN 92 5.604 -25.668 -5.142 736 HG3 GLN 92 1HG GLN 92 7.355 -25.561 -4.965 737 HE21 GLN 92 1HE2 GLN 92 4.440 -27.013 -3.761 738 HE22 GLN 92 2HE2 GLN 92 5.201 -28.229 -2.801 739 H GLY 93 H GLY 93 4.390 -21.129 -4.888 740 HA2 GLY 93 2HA GLY 93 2.275 -20.879 -5.773 741 HA3 GLY 93 1HA GLY 93 2.447 -22.473 -6.494 742 H ALA 94 H ALA 94 2.732 -21.823 -3.049 743 HA ALA 94 HA ALA 94 0.672 -23.813 -2.532 744 HB1 ALA 94 3HB ALA 94 1.522 -23.813 -0.248 745 HB2 ALA 94 1HB ALA 94 2.573 -22.451 -0.631 746 HB3 ALA 94 2HB ALA 94 2.833 -24.011 -1.411 747 H ASP 95 H ASP 95 1.373 -20.473 -1.453 748 HA ASP 95 HA ASP 95 -1.452 -20.261 -0.623 749 HB2 ASP 95 2HB ASP 95 0.296 -20.133 1.203 750 HB3 ASP 95 1HB ASP 95 0.825 -18.611 0.490 751 H VAL 96 H VAL 96 -2.348 -17.997 -0.694 752 HA VAL 96 HA VAL 96 -1.480 -16.718 -3.211 753 HB VAL 96 HB VAL 96 -3.861 -16.263 -3.701 754 HG11 VAL 96 1HG1 VAL 96 -2.783 -18.204 -4.689 755 HG12 VAL 96 2HG1 VAL 96 -4.467 -18.570 -4.317 756 HG13 VAL 96 3HG1 VAL 96 -3.182 -19.178 -3.273 757 HG21 VAL 96 3HG2 VAL 96 -5.614 -17.448 -2.439 758 HG22 VAL 96 1HG2 VAL 96 -4.750 -16.295 -1.423 759 HG23 VAL 96 2HG2 VAL 96 -4.399 -18.018 -1.295 760 H ASP 97 H ASP 97 -1.005 -15.899 -0.280 761 HA ASP 97 HA ASP 97 -2.315 -13.400 0.069 762 HB2 ASP 97 2HB ASP 97 -0.982 -14.658 1.817 763 HB3 ASP 97 1HB ASP 97 0.483 -14.142 0.991 764 H TRP 98 H TRP 98 -2.330 -11.992 -1.665 765 HA TRP 98 HA TRP 98 0.171 -11.683 -3.203 766 HB2 TRP 98 2HB TRP 98 -1.109 -11.630 -5.266 767 HB3 TRP 98 1HB TRP 98 -1.450 -13.112 -4.382 768 HD1 TRP 98 HD1 TRP 98 -3.793 -12.431 -2.552 769 HE1 TRP 98 HE1 TRP 98 -6.072 -11.669 -3.456 770 HE3 TRP 98 HE3 TRP 98 -2.315 -10.766 -7.151 771 HZ2 TRP 98 HZ2 TRP 98 -7.116 -10.525 -5.813 772 HZ3 TRP 98 HZ3 TRP 98 -4.021 -9.857 -8.676 773 HH2 TRP 98 HH2 TRP 98 -6.373 -9.738 -8.022 774 H TYR 99 H TYR 99 0.324 -9.791 -4.575 775 HA TYR 99 HA TYR 99 -0.754 -7.407 -3.211 776 HB2 TYR 99 2HB TYR 99 1.960 -7.870 -4.463 777 HB3 TYR 99 1HB TYR 99 1.390 -6.291 -3.935 778 HD1 TYR 99 HD1 TYR 99 1.992 -9.755 -2.649 779 HD2 TYR 99 HD2 TYR 99 1.811 -5.593 -1.756 780 HE1 TYR 99 HE1 TYR 99 2.847 -10.205 -0.388 781 HE2 TYR 99 HE2 TYR 99 2.664 -6.038 0.504 782 HH TYR 99 HH TYR 99 2.827 -7.816 2.091 783 H ILE 100 H ILE 100 -1.928 -6.049 -4.401 784 HA ILE 100 HA ILE 100 -1.540 -5.926 -7.320 785 HB ILE 100 HB ILE 100 -3.782 -4.757 -5.639 786 HG12 ILE 100 2HG1 ILE 100 -3.726 -7.162 -7.494 787 HG13 ILE 100 1HG1 ILE 100 -3.891 -7.208 -5.742 788 HG21 ILE 100 1HG2 ILE 100 -3.356 -3.411 -7.631 789 HG22 ILE 100 2HG2 ILE 100 -4.875 -4.289 -7.800 790 HG23 ILE 100 3HG2 ILE 100 -3.433 -4.852 -8.644 791 HD11 ILE 100 3HD1 ILE 100 -5.879 -6.019 -7.666 792 HD12 ILE 100 1HD1 ILE 100 -6.044 -6.083 -5.911 793 HD13 ILE 100 2HD1 ILE 100 -6.018 -7.575 -6.847 794 H LYS 101 H LYS 101 -0.044 -4.467 -7.883 795 HA LYS 101 HA LYS 101 0.529 -2.201 -6.115 796 HB2 LYS 101 2HB LYS 101 2.037 -3.421 -8.438 797 HB3 LYS 101 1HB LYS 101 2.584 -1.992 -7.564 798 HG2 LYS 101 2HG LYS 101 3.005 -3.185 -5.609 799 HG3 LYS 101 1HG LYS 101 1.968 -4.528 -6.086 800 HD2 LYS 101 2HD LYS 101 4.337 -5.132 -6.194 801 HD3 LYS 101 1HD LYS 101 3.578 -5.197 -7.783 802 HE2 LYS 101 2HE LYS 101 4.555 -3.032 -8.350 803 HE3 LYS 101 1HE LYS 101 5.277 -2.925 -6.744 804 HZ1 LYS 101 3HZ LYS 101 5.864 -5.073 -8.708 805 HZ2 LYS 101 1HZ LYS 101 6.621 -4.829 -7.212 806 HZ3 LYS 101 2HZ LYS 101 6.834 -3.706 -8.459 807 H ALA 102 H ALA 102 0.377 -0.056 -6.726 808 HA ALA 102 HA ALA 102 -0.747 0.513 -9.392 809 HB1 ALA 102 3HB ALA 102 -1.955 1.505 -6.808 810 HB2 ALA 102 1HB ALA 102 -2.627 0.243 -7.841 811 HB3 ALA 102 2HB ALA 102 -2.506 1.898 -8.437 812 H ASP 103 H ASP 103 -0.966 2.931 -9.745 813 HA ASP 103 HA ASP 103 1.550 4.211 -9.237 814 HB2 ASP 103 2HB ASP 103 0.276 4.444 -11.374 815 HB3 ASP 103 1HB ASP 103 -0.954 5.359 -10.503 816 H ASP 104 H ASP 104 -1.790 4.721 -8.155 817 HA ASP 104 HA ASP 104 -0.971 5.960 -5.709 818 HB2 ASP 104 2HB ASP 104 -0.693 7.881 -7.222 819 HB3 ASP 104 1HB ASP 104 -2.346 7.689 -7.793 820 H ILE 105 H ILE 105 -2.813 6.476 -4.300 821 HA ILE 105 HA ILE 105 -5.227 4.910 -5.001 822 HB ILE 105 HB ILE 105 -4.113 5.365 -2.223 823 HG12 ILE 105 2HG1 ILE 105 -3.959 2.888 -3.972 824 HG13 ILE 105 1HG1 ILE 105 -2.605 3.917 -3.522 825 HG21 ILE 105 1HG2 ILE 105 -6.529 5.052 -2.251 826 HG22 ILE 105 2HG2 ILE 105 -5.742 3.638 -1.551 827 HG23 ILE 105 3HG2 ILE 105 -6.349 3.578 -3.207 828 HD11 ILE 105 3HD1 ILE 105 -2.602 1.913 -2.191 829 HD12 ILE 105 1HD1 ILE 105 -4.257 2.221 -1.665 830 HD13 ILE 105 2HD1 ILE 105 -2.958 3.303 -1.166 831 H VAL 106 H VAL 106 -6.949 6.199 -5.309 832 HA VAL 106 HA VAL 106 -7.254 8.613 -3.619 833 HB VAL 106 HB VAL 106 -8.427 9.711 -5.490 834 HG11 VAL 106 1HG1 VAL 106 -6.041 10.127 -5.176 835 HG12 VAL 106 2HG1 VAL 106 -6.465 10.169 -6.888 836 HG13 VAL 106 3HG1 VAL 106 -5.653 8.755 -6.216 837 HG21 VAL 106 3HG2 VAL 106 -9.251 7.747 -6.670 838 HG22 VAL 106 1HG2 VAL 106 -7.602 7.283 -7.095 839 HG23 VAL 106 2HG2 VAL 106 -8.305 8.759 -7.761 840 H LEU 107 H LEU 107 -9.710 9.402 -3.867 841 HA LEU 107 HA LEU 107 -11.352 7.177 -2.946 842 HB2 LEU 107 2HB LEU 107 -11.954 10.135 -3.168 843 HB3 LEU 107 1HB LEU 107 -13.033 8.945 -2.464 844 HG LEU 107 HG LEU 107 -10.296 9.665 -1.394 845 HD11 LEU 107 1HD1 LEU 107 -13.045 10.366 -0.366 846 HD12 LEU 107 2HD1 LEU 107 -11.882 11.484 -1.078 847 HD13 LEU 107 3HD1 LEU 107 -11.525 10.699 0.460 848 HD21 LEU 107 3HD2 LEU 107 -12.434 7.849 -0.259 849 HD22 LEU 107 1HD2 LEU 107 -10.926 8.300 0.542 850 HD23 LEU 107 2HD2 LEU 107 -10.885 7.340 -0.936 851 H THR 108 H THR 108 -13.201 6.399 -3.965 852 HA THR 108 HA THR 108 -13.278 6.582 -6.799 853 HB THR 108 HB THR 108 -15.626 5.545 -5.220 854 HG1 THR 108 HG1 THR 108 -13.356 3.928 -5.737 855 HG21 THR 108 3HG2 THR 108 -14.237 4.616 -7.743 856 HG22 THR 108 1HG2 THR 108 -15.735 5.544 -7.674 857 HG23 THR 108 2HG2 THR 108 -15.688 3.898 -7.038 858 H LEU 109 H LEU 109 -14.237 8.065 -8.048 859 HA LEU 109 HA LEU 109 -15.604 10.271 -6.770 860 HB2 LEU 109 2HB LEU 109 -14.860 9.859 -9.668 861 HB3 LEU 109 1HB LEU 109 -15.381 11.370 -8.943 862 HG LEU 109 HG LEU 109 -12.829 9.881 -8.289 863 HD11 LEU 109 1HD1 LEU 109 -13.298 12.464 -9.785 864 HD12 LEU 109 2HD1 LEU 109 -12.717 10.945 -10.467 865 HD13 LEU 109 3HD1 LEU 109 -11.721 11.832 -9.314 866 HD21 LEU 109 3HD2 LEU 109 -13.714 11.028 -6.325 867 HD22 LEU 109 1HD2 LEU 109 -13.868 12.522 -7.249 868 HD23 LEU 109 2HD2 LEU 109 -12.272 11.845 -6.925 869 H GLU 110 H GLU 110 -17.151 7.788 -6.918 870 HA GLU 110 HA GLU 110 -19.436 8.759 -8.522 871 HB2 GLU 110 2HB GLU 110 -20.261 6.332 -8.294 872 HB3 GLU 110 1HB GLU 110 -18.912 6.633 -9.381 873 HG2 GLU 110 2HG GLU 110 -17.345 5.824 -7.742 874 HG3 GLU 110 1HG GLU 110 -18.629 5.637 -6.552 Start of MODEL 10 1 H1 MET 1 1H MET 1 -37.723 -9.647 -18.447 2 H2 MET 1 2H MET 1 -38.391 -9.789 -16.897 3 H3 MET 1 3H MET 1 -36.840 -10.390 -17.208 4 HA MET 1 HA MET 1 -37.656 -7.544 -17.303 5 HB2 MET 1 2HB MET 1 -35.989 -9.067 -15.284 6 HB3 MET 1 1HB MET 1 -36.166 -7.318 -15.309 7 HG2 MET 1 2HG MET 1 -38.558 -7.534 -14.914 8 HG3 MET 1 1HG MET 1 -38.418 -9.288 -14.943 9 HE1 MET 1 3HE MET 1 -36.379 -10.033 -11.707 10 HE2 MET 1 1HE MET 1 -35.753 -9.841 -13.346 11 HE3 MET 1 2HE MET 1 -37.256 -10.723 -13.072 12 H MET 2 H MET 2 -34.688 -9.561 -16.993 13 HA MET 2 HA MET 2 -33.557 -8.011 -19.233 14 HB2 MET 2 2HB MET 2 -31.337 -8.090 -18.160 15 HB3 MET 2 1HB MET 2 -32.502 -7.189 -17.204 16 HG2 MET 2 2HG MET 2 -32.755 -9.053 -15.688 17 HG3 MET 2 1HG MET 2 -31.675 -10.036 -16.677 18 HE1 MET 2 3HE MET 2 -31.216 -9.716 -13.576 19 HE2 MET 2 1HE MET 2 -29.486 -9.380 -13.490 20 HE3 MET 2 2HE MET 2 -30.092 -10.606 -14.603 21 H ARG 3 H ARG 3 -33.277 -9.325 -20.905 22 HA ARG 3 HA ARG 3 -32.964 -12.195 -20.452 23 HB2 ARG 3 2HB ARG 3 -34.671 -11.339 -22.056 24 HB3 ARG 3 1HB ARG 3 -33.370 -10.709 -23.057 25 HG2 ARG 3 2HG ARG 3 -32.587 -12.892 -23.578 26 HG3 ARG 3 1HG ARG 3 -33.612 -13.628 -22.344 27 HD2 ARG 3 2HD ARG 3 -34.550 -13.991 -24.559 28 HD3 ARG 3 1HD ARG 3 -35.607 -12.948 -23.609 29 HE ARG 3 HE ARG 3 -33.762 -11.925 -25.671 30 HH11 ARG 3 1HH1 ARG 3 -36.840 -11.940 -24.114 31 HH12 ARG 3 2HH1 ARG 3 -37.474 -10.677 -25.112 32 HH21 ARG 3 1HH2 ARG 3 -34.596 -10.326 -26.973 33 HH22 ARG 3 2HH2 ARG 3 -36.216 -9.769 -26.712 34 H LEU 4 H LEU 4 -30.840 -12.318 -19.766 35 HA LEU 4 HA LEU 4 -28.834 -12.276 -21.859 36 HB2 LEU 4 2HB LEU 4 -27.253 -10.992 -20.288 37 HB3 LEU 4 1HB LEU 4 -28.440 -10.091 -21.212 38 HG LEU 4 HG LEU 4 -29.906 -10.232 -19.083 39 HD11 LEU 4 1HD1 LEU 4 -27.203 -10.760 -17.849 40 HD12 LEU 4 2HD1 LEU 4 -28.569 -11.877 -17.874 41 HD13 LEU 4 3HD1 LEU 4 -28.686 -10.360 -16.980 42 HD21 LEU 4 3HD2 LEU 4 -28.871 -8.200 -18.202 43 HD22 LEU 4 1HD2 LEU 4 -28.960 -8.186 -19.964 44 HD23 LEU 4 2HD2 LEU 4 -27.424 -8.523 -19.162 45 H ALA 5 H ALA 5 -26.702 -13.218 -21.040 46 HA ALA 5 HA ALA 5 -26.711 -14.793 -18.658 47 HB1 ALA 5 3HB ALA 5 -28.378 -16.095 -19.846 48 HB2 ALA 5 1HB ALA 5 -26.887 -17.023 -19.697 49 HB3 ALA 5 2HB ALA 5 -27.301 -16.260 -21.232 50 H ASN 6 H ASN 6 -24.608 -14.676 -18.160 51 HA ASN 6 HA ASN 6 -22.660 -15.791 -20.004 52 HB2 ASN 6 2HB ASN 6 -21.104 -13.857 -19.740 53 HB3 ASN 6 1HB ASN 6 -22.557 -13.473 -20.655 54 HD21 ASN 6 1HD2 ASN 6 -22.460 -11.292 -20.245 55 HD22 ASN 6 2HD2 ASN 6 -22.757 -10.614 -18.684 56 H GLY 7 H GLY 7 -20.621 -16.317 -19.003 57 HA2 GLY 7 2HA GLY 7 -20.595 -16.253 -16.045 58 HA3 GLY 7 1HA GLY 7 -20.334 -17.769 -16.897 59 H ILE 8 H ILE 8 -18.814 -16.413 -19.050 60 HA ILE 8 HA ILE 8 -16.217 -16.280 -17.746 61 HB ILE 8 HB ILE 8 -15.282 -16.193 -19.996 62 HG12 ILE 8 2HG1 ILE 8 -18.154 -16.052 -20.971 63 HG13 ILE 8 1HG1 ILE 8 -17.002 -14.725 -21.022 64 HG21 ILE 8 1HG2 ILE 8 -17.515 -18.222 -19.795 65 HG22 ILE 8 2HG2 ILE 8 -15.897 -18.386 -19.111 66 HG23 ILE 8 3HG2 ILE 8 -16.113 -18.337 -20.861 67 HD11 ILE 8 3HD1 ILE 8 -15.608 -15.998 -22.571 68 HD12 ILE 8 1HD1 ILE 8 -17.242 -15.770 -23.195 69 HD13 ILE 8 2HD1 ILE 8 -16.767 -17.328 -22.517 70 H VAL 9 H VAL 9 -14.665 -14.503 -18.535 71 HA VAL 9 HA VAL 9 -15.960 -11.903 -18.214 72 HB VAL 9 HB VAL 9 -13.002 -12.535 -18.396 73 HG11 VAL 9 1HG1 VAL 9 -14.421 -10.037 -17.454 74 HG12 VAL 9 2HG1 VAL 9 -13.559 -10.216 -18.982 75 HG13 VAL 9 3HG1 VAL 9 -12.675 -10.300 -17.458 76 HG21 VAL 9 3HG2 VAL 9 -14.739 -12.108 -15.956 77 HG22 VAL 9 1HG2 VAL 9 -12.982 -12.271 -15.945 78 HG23 VAL 9 2HG2 VAL 9 -13.991 -13.626 -16.451 79 H LEU 10 H LEU 10 -16.967 -11.626 -20.211 80 HA LEU 10 HA LEU 10 -15.514 -11.919 -22.680 81 HB2 LEU 10 2HB LEU 10 -17.558 -11.100 -23.776 82 HB3 LEU 10 1HB LEU 10 -17.858 -12.454 -22.705 83 HG LEU 10 HG LEU 10 -18.296 -9.713 -21.597 84 HD11 LEU 10 1HD1 LEU 10 -20.567 -9.640 -22.539 85 HD12 LEU 10 2HD1 LEU 10 -20.198 -11.052 -23.531 86 HD13 LEU 10 3HD1 LEU 10 -19.333 -9.537 -23.795 87 HD21 LEU 10 3HD2 LEU 10 -19.713 -12.372 -21.322 88 HD22 LEU 10 1HD2 LEU 10 -20.212 -10.880 -20.525 89 HD23 LEU 10 2HD2 LEU 10 -18.660 -11.604 -20.136 90 H ASP 11 H ASP 11 -16.186 -9.294 -20.500 91 HA ASP 11 HA ASP 11 -15.222 -7.308 -22.422 92 HB2 ASP 11 2HB ASP 11 -16.270 -6.997 -19.594 93 HB3 ASP 11 1HB ASP 11 -15.777 -5.663 -20.637 94 H LYS 12 H LYS 12 -13.859 -5.537 -20.725 95 HA LYS 12 HA LYS 12 -11.390 -7.108 -20.333 96 HB2 LYS 12 2HB LYS 12 -11.777 -4.248 -21.213 97 HB3 LYS 12 1HB LYS 12 -10.211 -4.910 -20.763 98 HG2 LYS 12 2HG LYS 12 -11.969 -5.859 -23.022 99 HG3 LYS 12 1HG LYS 12 -10.471 -4.935 -23.160 100 HD2 LYS 12 2HD LYS 12 -9.211 -6.778 -22.195 101 HD3 LYS 12 1HD LYS 12 -10.697 -7.697 -21.955 102 HE2 LYS 12 2HE LYS 12 -11.041 -7.661 -24.425 103 HE3 LYS 12 1HE LYS 12 -9.460 -6.894 -24.587 104 HZ1 LYS 12 3HZ LYS 12 -8.481 -8.832 -23.478 105 HZ2 LYS 12 1HZ LYS 12 -9.269 -9.256 -24.915 106 HZ3 LYS 12 2HZ LYS 12 -10.003 -9.570 -23.424 107 H ASP 13 H ASP 13 -13.354 -4.573 -18.841 108 HA ASP 13 HA ASP 13 -11.493 -3.844 -16.855 109 HB2 ASP 13 2HB ASP 13 -13.475 -2.491 -17.478 110 HB3 ASP 13 1HB ASP 13 -14.507 -3.677 -16.684 111 H THR 14 H THR 14 -10.573 -5.549 -15.806 112 HA THR 14 HA THR 14 -12.189 -7.570 -14.471 113 HB THR 14 HB THR 14 -9.992 -8.482 -13.721 114 HG1 THR 14 HG1 THR 14 -8.297 -7.233 -13.843 115 HG21 THR 14 3HG2 THR 14 -10.233 -7.950 -16.689 116 HG22 THR 14 1HG2 THR 14 -10.961 -9.293 -15.805 117 HG23 THR 14 2HG2 THR 14 -9.207 -9.184 -15.957 118 H THR 15 H THR 15 -11.837 -4.553 -13.675 119 HA THR 15 HA THR 15 -10.701 -4.544 -11.072 120 HB THR 15 HB THR 15 -12.744 -2.612 -12.211 121 HG1 THR 15 HG1 THR 15 -11.052 -2.366 -13.541 122 HG21 THR 15 3HG2 THR 15 -10.773 -2.303 -9.936 123 HG22 THR 15 1HG2 THR 15 -12.526 -2.404 -9.785 124 HG23 THR 15 2HG2 THR 15 -11.789 -1.015 -10.587 125 H PHE 16 H PHE 16 -11.648 -4.717 -9.052 126 HA PHE 16 HA PHE 16 -13.948 -6.438 -8.899 127 HB2 PHE 16 2HB PHE 16 -12.528 -5.146 -6.563 128 HB3 PHE 16 1HB PHE 16 -13.406 -6.672 -6.590 129 HD1 PHE 16 HD2 PHE 16 -12.417 -8.613 -7.902 130 HD2 PHE 16 HD1 PHE 16 -10.226 -5.064 -7.016 131 HE1 PHE 16 HE2 PHE 16 -10.307 -9.802 -8.354 132 HE2 PHE 16 HE1 PHE 16 -8.119 -6.246 -7.469 133 HZ PHE 16 HZ PHE 16 -8.154 -8.615 -8.137 134 H GLY 17 H GLY 17 -14.460 -3.670 -9.857 135 HA2 GLY 17 2HA GLY 17 -16.134 -2.101 -9.620 136 HA3 GLY 17 1HA GLY 17 -16.701 -2.981 -8.209 137 H GLU 18 H GLU 18 -16.493 -1.965 -6.317 138 HA GLU 18 HA GLU 18 -14.577 0.256 -6.093 139 HB2 GLU 18 2HB GLU 18 -15.946 0.998 -4.175 140 HB3 GLU 18 1HB GLU 18 -16.887 0.884 -5.658 141 HG2 GLU 18 2HG GLU 18 -17.734 -1.325 -4.894 142 HG3 GLU 18 1HG GLU 18 -16.876 -1.084 -3.374 143 H LEU 19 H LEU 19 -12.855 0.103 -4.755 144 HA LEU 19 HA LEU 19 -12.605 -2.261 -3.040 145 HB2 LEU 19 2HB LEU 19 -10.601 -0.099 -3.735 146 HB3 LEU 19 1HB LEU 19 -10.259 -1.506 -2.741 147 HG LEU 19 HG LEU 19 -11.012 -1.545 -5.669 148 HD11 LEU 19 1HD1 LEU 19 -8.747 -0.733 -5.286 149 HD12 LEU 19 2HD1 LEU 19 -8.722 -2.340 -6.010 150 HD13 LEU 19 3HD1 LEU 19 -8.396 -2.145 -4.287 151 HD21 LEU 19 3HD2 LEU 19 -10.298 -3.824 -3.816 152 HD22 LEU 19 1HD2 LEU 19 -10.545 -3.948 -5.558 153 HD23 LEU 19 2HD2 LEU 19 -11.890 -3.507 -4.508 154 H LYS 20 H LYS 20 -12.832 -2.166 -0.853 155 HA LYS 20 HA LYS 20 -13.521 0.477 0.242 156 HB2 LYS 20 2HB LYS 20 -14.146 -2.170 1.553 157 HB3 LYS 20 1HB LYS 20 -14.934 -0.611 1.792 158 HG2 LYS 20 2HG LYS 20 -15.578 -0.822 -0.714 159 HG3 LYS 20 1HG LYS 20 -15.192 -2.527 -0.504 160 HD2 LYS 20 2HD LYS 20 -17.515 -2.376 -0.150 161 HD3 LYS 20 1HD LYS 20 -16.821 -2.486 1.470 162 HE2 LYS 20 2HE LYS 20 -17.078 -0.118 1.801 163 HE3 LYS 20 1HE LYS 20 -17.555 0.115 0.119 164 HZ1 LYS 20 3HZ LYS 20 -19.483 0.139 1.513 165 HZ2 LYS 20 1HZ LYS 20 -19.081 -1.356 2.191 166 HZ3 LYS 20 2HZ LYS 20 -19.520 -1.253 0.564 167 H PHE 21 H PHE 21 -12.092 1.469 1.431 168 HA PHE 21 HA PHE 21 -9.567 0.445 2.068 169 HB2 PHE 21 2HB PHE 21 -10.156 2.847 1.709 170 HB3 PHE 21 1HB PHE 21 -10.932 2.858 3.287 171 HD1 PHE 21 HD2 PHE 21 -9.603 2.826 5.333 172 HD2 PHE 21 HD1 PHE 21 -7.748 2.805 1.496 173 HE1 PHE 21 HE2 PHE 21 -7.453 3.416 6.372 174 HE2 PHE 21 HE1 PHE 21 -5.599 3.395 2.536 175 HZ PHE 21 HZ PHE 21 -5.449 3.702 4.972 176 H SER 22 H SER 22 -8.590 -0.277 3.969 177 HA SER 22 HA SER 22 -10.379 -0.685 6.294 178 HB2 SER 22 2HB SER 22 -9.810 -2.816 5.180 179 HB3 SER 22 1HB SER 22 -8.096 -2.472 5.405 180 HG SER 22 HG SER 22 -8.252 -2.935 7.485 181 H ALA 23 H ALA 23 -6.845 -0.829 5.670 182 HA ALA 23 HA ALA 23 -6.306 1.341 7.482 183 HB1 ALA 23 3HB ALA 23 -5.495 -1.438 8.348 184 HB2 ALA 23 1HB ALA 23 -6.766 -0.461 9.088 185 HB3 ALA 23 2HB ALA 23 -5.086 0.072 9.165 186 H LEU 24 H LEU 24 -3.816 1.442 7.945 187 HA LEU 24 HA LEU 24 -2.334 0.758 5.501 188 HB2 LEU 24 2HB LEU 24 -2.063 3.033 6.347 189 HB3 LEU 24 1HB LEU 24 -1.564 2.418 7.913 190 HG LEU 24 HG LEU 24 0.441 1.396 6.794 191 HD11 LEU 24 1HD1 LEU 24 -0.466 3.042 4.438 192 HD12 LEU 24 2HD1 LEU 24 -0.415 1.281 4.523 193 HD13 LEU 24 3HD1 LEU 24 1.083 2.208 4.585 194 HD21 LEU 24 3HD2 LEU 24 0.608 3.494 8.017 195 HD22 LEU 24 1HD2 LEU 24 0.158 4.393 6.566 196 HD23 LEU 24 2HD2 LEU 24 1.678 3.499 6.616 197 H ARG 25 H ARG 25 -1.514 -1.255 5.482 198 HA ARG 25 HA ARG 25 -1.282 -2.866 7.791 199 HB2 ARG 25 2HB ARG 25 -1.750 -3.763 5.554 200 HB3 ARG 25 1HB ARG 25 -0.135 -3.311 5.027 201 HG2 ARG 25 2HG ARG 25 -0.371 -5.723 5.561 202 HG3 ARG 25 1HG ARG 25 0.869 -4.911 6.517 203 HD2 ARG 25 2HD ARG 25 -0.513 -4.869 8.445 204 HD3 ARG 25 1HD ARG 25 -1.947 -5.315 7.519 205 HE ARG 25 HE ARG 25 -0.712 -7.500 7.150 206 HH11 ARG 25 1HH1 ARG 25 -0.183 -5.597 9.976 207 HH12 ARG 25 2HH1 ARG 25 0.072 -6.978 10.981 208 HH21 ARG 25 1HH2 ARG 25 -0.382 -9.249 8.457 209 HH22 ARG 25 2HH2 ARG 25 -0.035 -9.014 10.138 210 H ARG 26 H ARG 26 1.325 -1.691 5.628 211 HA ARG 26 HA ARG 26 3.132 -1.222 7.793 212 HB2 ARG 26 2HB ARG 26 3.484 -3.526 7.982 213 HB3 ARG 26 1HB ARG 26 3.315 -3.796 6.253 214 HG2 ARG 26 2HG ARG 26 5.493 -2.785 5.856 215 HG3 ARG 26 1HG ARG 26 5.662 -2.436 7.572 216 HD2 ARG 26 2HD ARG 26 5.254 -5.241 6.566 217 HD3 ARG 26 1HD ARG 26 6.856 -4.510 6.629 218 HE ARG 26 HE ARG 26 6.153 -4.137 9.119 219 HH11 ARG 26 1HH1 ARG 26 5.413 -6.905 7.197 220 HH12 ARG 26 2HH1 ARG 26 5.579 -8.003 8.524 221 HH21 ARG 26 1HH2 ARG 26 6.356 -5.544 10.809 222 HH22 ARG 26 2HH2 ARG 26 6.098 -7.240 10.558 223 H GLU 27 H GLU 27 4.734 0.139 7.195 224 HA GLU 27 HA GLU 27 5.130 0.700 4.342 225 HB2 GLU 27 2HB GLU 27 6.241 2.147 6.765 226 HB3 GLU 27 1HB GLU 27 6.345 2.690 5.096 227 HG2 GLU 27 2HG GLU 27 3.890 2.884 5.024 228 HG3 GLU 27 1HG GLU 27 3.818 2.387 6.714 229 H VAL 28 H VAL 28 6.530 -0.782 3.464 230 HA VAL 28 HA VAL 28 8.615 -2.023 4.973 231 HB VAL 28 HB VAL 28 9.337 -3.055 2.859 232 HG11 VAL 28 1HG1 VAL 28 7.536 -4.091 4.118 233 HG12 VAL 28 2HG1 VAL 28 7.259 -4.298 2.389 234 HG13 VAL 28 3HG1 VAL 28 6.345 -3.088 3.289 235 HG21 VAL 28 3HG2 VAL 28 7.194 -1.360 1.556 236 HG22 VAL 28 1HG2 VAL 28 8.124 -2.635 0.769 237 HG23 VAL 28 2HG2 VAL 28 8.935 -1.176 1.335 238 H ARG 29 H ARG 29 10.657 -1.401 5.313 239 HA ARG 29 HA ARG 29 11.534 1.097 4.034 240 HB2 ARG 29 2HB ARG 29 12.298 -0.138 6.686 241 HB3 ARG 29 1HB ARG 29 13.017 1.331 6.033 242 HG2 ARG 29 2HG ARG 29 10.886 2.460 6.084 243 HG3 ARG 29 1HG ARG 29 10.075 0.976 6.587 244 HD2 ARG 29 2HD ARG 29 11.337 0.995 8.685 245 HD3 ARG 29 1HD ARG 29 12.167 2.468 8.176 246 HE ARG 29 HE ARG 29 10.026 3.608 8.285 247 HH11 ARG 29 1HH1 ARG 29 10.208 0.546 9.849 248 HH12 ARG 29 2HH1 ARG 29 8.862 0.874 10.882 249 HH21 ARG 29 1HH2 ARG 29 8.300 4.013 9.621 250 HH22 ARG 29 2HH2 ARG 29 7.815 2.810 10.772 251 H ILE 30 H ILE 30 13.729 1.412 3.512 252 HA ILE 30 HA ILE 30 14.727 -0.673 1.882 253 HB ILE 30 HB ILE 30 16.043 1.939 2.665 254 HG12 ILE 30 2HG1 ILE 30 14.347 1.306 0.232 255 HG13 ILE 30 1HG1 ILE 30 13.751 2.152 1.657 256 HG21 ILE 30 1HG2 ILE 30 17.647 0.396 1.697 257 HG22 ILE 30 2HG2 ILE 30 17.286 1.688 0.550 258 HG23 ILE 30 3HG2 ILE 30 16.568 0.091 0.331 259 HD11 ILE 30 3HD1 ILE 30 14.299 3.682 -0.155 260 HD12 ILE 30 1HD1 ILE 30 15.967 3.110 -0.147 261 HD13 ILE 30 2HD1 ILE 30 15.316 3.961 1.256 262 H GLN 31 H GLN 31 16.041 -2.311 2.392 263 HA GLN 31 HA GLN 31 17.582 -2.213 4.896 264 HB2 GLN 31 2HB GLN 31 16.012 -4.109 4.512 265 HB3 GLN 31 1HB GLN 31 16.970 -4.589 3.119 266 HG2 GLN 31 2HG GLN 31 18.884 -5.032 4.542 267 HG3 GLN 31 1HG GLN 31 17.990 -4.461 5.952 268 HE21 GLN 31 1HE2 GLN 31 18.181 -6.425 7.019 269 HE22 GLN 31 2HE2 GLN 31 17.312 -7.833 6.533 270 H ASN 32 H ASN 32 19.779 -2.261 4.937 271 HA ASN 32 HA ASN 32 21.144 -1.755 2.419 272 HB2 ASN 32 2HB ASN 32 22.201 -1.665 5.254 273 HB3 ASN 32 1HB ASN 32 23.062 -1.115 3.818 274 HD21 ASN 32 1HD2 ASN 32 20.581 -0.415 6.101 275 HD22 ASN 32 2HD2 ASN 32 20.286 1.205 5.588 276 H GLU 33 H GLU 33 23.416 -2.630 2.187 277 HA GLU 33 HA GLU 33 23.340 -5.391 1.760 278 HB2 GLU 33 2HB GLU 33 25.790 -3.621 1.994 279 HB3 GLU 33 1HB GLU 33 25.754 -5.225 1.278 280 HG2 GLU 33 2HG GLU 33 25.754 -3.699 -0.519 281 HG3 GLU 33 1HG GLU 33 24.110 -4.322 -0.407 282 H ASP 34 H ASP 34 24.665 -3.528 4.449 283 HA ASP 34 HA ASP 34 25.985 -5.568 5.840 284 HB2 ASP 34 2HB ASP 34 26.318 -3.281 6.463 285 HB3 ASP 34 1HB ASP 34 24.602 -3.048 6.775 286 H GLY 35 H GLY 35 22.577 -4.927 5.520 287 HA2 GLY 35 2HA GLY 35 21.004 -6.695 6.128 288 HA3 GLY 35 1HA GLY 35 21.986 -7.003 7.552 289 H SER 36 H SER 36 22.345 -4.133 8.105 290 HA SER 36 HA SER 36 20.085 -3.654 9.738 291 HB2 SER 36 2HB SER 36 22.225 -1.726 8.804 292 HB3 SER 36 1HB SER 36 21.052 -1.393 10.081 293 HG SER 36 HG SER 36 23.236 -3.164 10.066 294 H VAL 37 H VAL 37 18.364 -2.237 9.548 295 HA VAL 37 HA VAL 37 17.632 -1.576 6.781 296 HB VAL 37 HB VAL 37 15.861 -1.698 9.233 297 HG11 VAL 37 1HG1 VAL 37 14.012 -1.770 7.613 298 HG12 VAL 37 2HG1 VAL 37 15.164 -1.573 6.292 299 HG13 VAL 37 3HG1 VAL 37 14.945 -0.278 7.469 300 HG21 VAL 37 3HG2 VAL 37 16.891 -3.870 8.708 301 HG22 VAL 37 1HG2 VAL 37 16.256 -3.764 7.066 302 HG23 VAL 37 2HG2 VAL 37 15.145 -3.881 8.433 303 H SER 38 H SER 38 17.226 0.450 6.117 304 HA SER 38 HA SER 38 18.023 2.682 7.783 305 HB2 SER 38 2HB SER 38 18.737 2.604 5.435 306 HB3 SER 38 1HB SER 38 17.058 2.576 4.906 307 HG SER 38 HG SER 38 18.087 4.678 4.828 308 H ASP 39 H ASP 39 16.710 4.606 8.096 309 HA ASP 39 HA ASP 39 13.948 4.075 8.679 310 HB2 ASP 39 2HB ASP 39 15.459 6.704 8.654 311 HB3 ASP 39 1HB ASP 39 13.852 6.455 9.336 312 H GLU 40 H GLU 40 15.574 4.846 5.862 313 HA GLU 40 HA GLU 40 13.588 6.405 4.519 314 HB2 GLU 40 2HB GLU 40 15.793 4.649 3.408 315 HB3 GLU 40 1HB GLU 40 14.859 5.819 2.483 316 HG2 GLU 40 2HG GLU 40 15.788 7.645 3.700 317 HG3 GLU 40 1HG GLU 40 16.550 6.559 4.862 318 H ILE 41 H ILE 41 11.823 5.750 3.359 319 HA ILE 41 HA ILE 41 11.070 2.922 3.639 320 HB ILE 41 HB ILE 41 9.308 5.284 2.930 321 HG12 ILE 41 2HG1 ILE 41 9.689 3.891 5.601 322 HG13 ILE 41 1HG1 ILE 41 10.289 5.496 5.194 323 HG21 ILE 41 1HG2 ILE 41 8.396 3.157 2.164 324 HG22 ILE 41 2HG2 ILE 41 7.452 3.773 3.518 325 HG23 ILE 41 3HG2 ILE 41 8.606 2.464 3.771 326 HD11 ILE 41 3HD1 ILE 41 7.981 6.266 4.907 327 HD12 ILE 41 1HD1 ILE 41 8.286 5.644 6.528 328 HD13 ILE 41 2HD1 ILE 41 7.401 4.663 5.361 329 H LYS 42 H LYS 42 10.265 1.708 1.893 330 HA LYS 42 HA LYS 42 11.021 2.695 -0.772 331 HB2 LYS 42 2HB LYS 42 11.978 0.527 0.153 332 HB3 LYS 42 1HB LYS 42 10.364 -0.153 -0.004 333 HG2 LYS 42 2HG LYS 42 11.731 -0.767 -1.906 334 HG3 LYS 42 1HG LYS 42 10.414 0.293 -2.416 335 HD2 LYS 42 2HD LYS 42 11.927 2.198 -2.484 336 HD3 LYS 42 1HD LYS 42 13.246 1.206 -1.860 337 HE2 LYS 42 2HE LYS 42 13.174 -0.174 -3.874 338 HE3 LYS 42 1HE LYS 42 11.835 0.790 -4.499 339 HZ1 LYS 42 3HZ LYS 42 13.302 2.716 -4.519 340 HZ2 LYS 42 1HZ LYS 42 13.939 1.468 -5.461 341 HZ3 LYS 42 2HZ LYS 42 14.576 1.775 -3.931 342 H GLU 43 H GLU 43 8.435 0.668 0.667 343 HA GLU 43 HA GLU 43 6.441 2.112 -0.921 344 HB2 GLU 43 2HB GLU 43 6.640 -0.915 -0.808 345 HB3 GLU 43 1HB GLU 43 5.321 -0.010 -1.544 346 HG2 GLU 43 2HG GLU 43 6.959 0.995 -3.107 347 HG3 GLU 43 1HG GLU 43 8.201 -0.041 -2.420 348 H ARG 44 H ARG 44 4.310 2.065 -0.046 349 HA ARG 44 HA ARG 44 4.138 1.046 2.724 350 HB2 ARG 44 2HB ARG 44 2.354 2.888 3.003 351 HB3 ARG 44 1HB ARG 44 4.045 3.358 2.997 352 HG2 ARG 44 2HG ARG 44 3.843 4.057 0.657 353 HG3 ARG 44 1HG ARG 44 2.140 3.594 0.672 354 HD2 ARG 44 2HD ARG 44 2.555 6.044 0.999 355 HD3 ARG 44 1HD ARG 44 1.615 5.286 2.282 356 HE ARG 44 HE ARG 44 3.727 5.254 3.596 357 HH11 ARG 44 1HH1 ARG 44 3.406 7.513 0.999 358 HH12 ARG 44 2HH1 ARG 44 4.508 8.635 1.712 359 HH21 ARG 44 1HH2 ARG 44 5.121 6.700 4.488 360 HH22 ARG 44 2HH2 ARG 44 5.482 8.175 3.661 361 H THR 45 H THR 45 2.805 -0.580 2.987 362 HA THR 45 HA THR 45 0.903 -1.289 0.888 363 HB THR 45 HB THR 45 1.846 -2.844 3.314 364 HG1 THR 45 HG1 THR 45 2.392 -3.538 0.636 365 HG21 THR 45 3HG2 THR 45 0.118 -3.741 0.992 366 HG22 THR 45 1HG2 THR 45 -0.414 -3.541 2.663 367 HG23 THR 45 2HG2 THR 45 0.764 -4.787 2.254 368 H TYR 46 H TYR 46 -1.183 -0.845 1.031 369 HA TYR 46 HA TYR 46 -2.479 -0.441 3.645 370 HB2 TYR 46 2HB TYR 46 -3.448 0.239 0.854 371 HB3 TYR 46 1HB TYR 46 -4.329 0.569 2.338 372 HD1 TYR 46 HD2 TYR 46 -1.190 1.406 0.512 373 HD2 TYR 46 HD1 TYR 46 -3.978 2.577 3.511 374 HE1 TYR 46 HE2 TYR 46 -0.122 3.618 0.635 375 HE2 TYR 46 HE1 TYR 46 -2.920 4.790 3.635 376 HH TYR 46 HH TYR 46 -0.568 5.844 1.332 377 H ASP 47 H ASP 47 -4.340 -1.620 4.216 378 HA ASP 47 HA ASP 47 -4.841 -4.080 2.700 379 HB2 ASP 47 2HB ASP 47 -5.853 -3.173 5.408 380 HB3 ASP 47 1HB ASP 47 -6.243 -4.718 4.663 381 H LEU 48 H LEU 48 -6.445 -4.145 1.242 382 HA LEU 48 HA LEU 48 -8.856 -2.480 1.689 383 HB2 LEU 48 2HB LEU 48 -7.704 -3.268 -0.997 384 HB3 LEU 48 1HB LEU 48 -9.117 -2.269 -0.725 385 HG LEU 48 HG LEU 48 -6.248 -1.536 -0.104 386 HD11 LEU 48 1HD1 LEU 48 -8.196 -0.384 -2.104 387 HD12 LEU 48 2HD1 LEU 48 -6.851 -1.460 -2.485 388 HD13 LEU 48 3HD1 LEU 48 -6.535 0.146 -1.831 389 HD21 LEU 48 3HD2 LEU 48 -7.125 0.663 0.526 390 HD22 LEU 48 1HD2 LEU 48 -7.721 -0.604 1.595 391 HD23 LEU 48 2HD2 LEU 48 -8.772 0.060 0.344 392 H LYS 49 H LYS 49 -10.871 -3.453 1.309 393 HA LYS 49 HA LYS 49 -10.798 -6.333 0.634 394 HB2 LYS 49 2HB LYS 49 -12.803 -4.809 2.321 395 HB3 LYS 49 1HB LYS 49 -13.043 -6.464 1.780 396 HG2 LYS 49 2HG LYS 49 -12.222 -6.763 3.921 397 HG3 LYS 49 1HG LYS 49 -10.766 -6.924 2.941 398 HD2 LYS 49 2HD LYS 49 -10.073 -5.522 4.658 399 HD3 LYS 49 1HD LYS 49 -10.475 -4.378 3.376 400 HE2 LYS 49 2HE LYS 49 -11.420 -3.503 5.365 401 HE3 LYS 49 1HE LYS 49 -12.764 -4.178 4.446 402 HZ1 LYS 49 3HZ LYS 49 -11.376 -5.492 6.725 403 HZ2 LYS 49 1HZ LYS 49 -12.644 -6.169 5.836 404 HZ3 LYS 49 2HZ LYS 49 -12.913 -4.789 6.775 405 H SER 50 H SER 50 -12.168 -7.155 -0.915 406 HA SER 50 HA SER 50 -13.407 -5.145 -2.689 407 HB2 SER 50 2HB SER 50 -13.116 -6.786 -4.493 408 HB3 SER 50 1HB SER 50 -11.580 -6.470 -3.688 409 HG SER 50 HG SER 50 -11.565 -8.597 -3.638 410 H LYS 51 H LYS 51 -15.429 -5.631 -3.723 411 HA LYS 51 HA LYS 51 -17.183 -7.324 -2.113 412 HB2 LYS 51 2HB LYS 51 -19.028 -6.315 -3.372 413 HB3 LYS 51 1HB LYS 51 -17.992 -5.096 -2.648 414 HG2 LYS 51 2HG LYS 51 -16.983 -4.600 -4.771 415 HG3 LYS 51 1HG LYS 51 -17.835 -5.945 -5.537 416 HD2 LYS 51 2HD LYS 51 -19.984 -4.850 -5.068 417 HD3 LYS 51 1HD LYS 51 -19.136 -3.511 -4.296 418 HE2 LYS 51 2HE LYS 51 -18.105 -2.894 -6.392 419 HE3 LYS 51 1HE LYS 51 -18.783 -4.316 -7.188 420 HZ1 LYS 51 3HZ LYS 51 -20.970 -3.445 -6.927 421 HZ2 LYS 51 1HZ LYS 51 -20.019 -2.225 -7.614 422 HZ3 LYS 51 2HZ LYS 51 -20.422 -2.158 -5.974 423 H GLY 52 H GLY 52 -18.701 -8.834 -3.131 424 HA2 GLY 52 2HA GLY 52 -19.234 -10.548 -4.612 425 HA3 GLY 52 1HA GLY 52 -18.083 -9.875 -5.759 426 H GLN 53 H GLN 53 -15.708 -10.076 -4.914 427 HA GLN 53 HA GLN 53 -15.080 -12.818 -4.419 428 HB2 GLN 53 2HB GLN 53 -13.452 -10.284 -4.548 429 HB3 GLN 53 1HB GLN 53 -12.715 -11.801 -4.057 430 HG2 GLN 53 2HG GLN 53 -12.376 -11.283 -6.447 431 HG3 GLN 53 1HG GLN 53 -13.216 -12.809 -6.183 432 HE21 GLN 53 1HE2 GLN 53 -13.546 -9.515 -7.269 433 HE22 GLN 53 2HE2 GLN 53 -15.038 -9.738 -8.105 434 H GLY 54 H GLY 54 -15.584 -10.036 -2.398 435 HA2 GLY 54 2HA GLY 54 -15.693 -9.765 -0.123 436 HA3 GLY 54 1HA GLY 54 -16.194 -11.445 -0.112 437 H ARG 55 H ARG 55 -13.024 -10.001 -0.885 438 HA ARG 55 HA ARG 55 -11.854 -11.391 1.427 439 HB2 ARG 55 2HB ARG 55 -10.130 -12.424 0.067 440 HB3 ARG 55 1HB ARG 55 -11.714 -12.916 -0.517 441 HG2 ARG 55 2HG ARG 55 -11.502 -11.095 -2.257 442 HG3 ARG 55 1HG ARG 55 -9.816 -10.940 -1.758 443 HD2 ARG 55 2HD ARG 55 -9.909 -12.389 -3.668 444 HD3 ARG 55 1HD ARG 55 -9.509 -13.361 -2.250 445 HE ARG 55 HE ARG 55 -12.302 -13.373 -2.674 446 HH11 ARG 55 1HH1 ARG 55 -9.367 -14.724 -3.884 447 HH12 ARG 55 2HH1 ARG 55 -10.171 -16.057 -4.637 448 HH21 ARG 55 1HH2 ARG 55 -13.315 -15.092 -3.635 449 HH22 ARG 55 2HH2 ARG 55 -12.376 -16.258 -4.502 450 H MET 56 H MET 56 -9.474 -10.813 1.684 451 HA MET 56 HA MET 56 -9.218 -7.917 1.303 452 HB2 MET 56 2HB MET 56 -7.470 -8.004 3.000 453 HB3 MET 56 1HB MET 56 -8.943 -8.764 3.581 454 HG2 MET 56 2HG MET 56 -8.005 -10.955 3.257 455 HG3 MET 56 1HG MET 56 -6.575 -10.272 2.485 456 HE1 MET 56 3HE MET 56 -6.025 -7.712 4.318 457 HE2 MET 56 1HE MET 56 -4.761 -8.808 3.755 458 HE3 MET 56 2HE MET 56 -4.864 -8.384 5.463 459 H ILE 57 H ILE 57 -7.423 -6.936 0.437 460 HA ILE 57 HA ILE 57 -5.465 -8.603 -1.028 461 HB ILE 57 HB ILE 57 -5.538 -7.033 -2.908 462 HG12 ILE 57 2HG1 ILE 57 -7.721 -5.631 -1.328 463 HG13 ILE 57 1HG1 ILE 57 -6.124 -4.985 -1.681 464 HG21 ILE 57 1HG2 ILE 57 -8.317 -7.972 -2.178 465 HG22 ILE 57 2HG2 ILE 57 -7.072 -8.946 -2.956 466 HG23 ILE 57 3HG2 ILE 57 -7.754 -7.555 -3.798 467 HD11 ILE 57 3HD1 ILE 57 -7.880 -4.016 -3.083 468 HD12 ILE 57 1HD1 ILE 57 -8.236 -5.613 -3.736 469 HD13 ILE 57 2HD1 ILE 57 -6.667 -4.866 -4.036 470 H GLN 58 H GLN 58 -3.288 -7.601 -1.226 471 HA GLN 58 HA GLN 58 -3.031 -5.323 0.647 472 HB2 GLN 58 2HB GLN 58 -0.499 -6.042 0.577 473 HB3 GLN 58 1HB GLN 58 -1.647 -6.820 1.646 474 HG2 GLN 58 2HG GLN 58 -0.981 -7.974 -1.044 475 HG3 GLN 58 1HG GLN 58 0.023 -8.280 0.371 476 HE21 GLN 58 1HE2 GLN 58 -2.834 -9.137 -1.296 477 HE22 GLN 58 2HE2 GLN 58 -3.416 -10.292 -0.154 478 H VAL 59 H VAL 59 -3.038 -3.473 -0.386 479 HA VAL 59 HA VAL 59 -1.866 -3.287 -3.066 480 HB VAL 59 HB VAL 59 -3.602 -1.352 -1.514 481 HG11 VAL 59 1HG1 VAL 59 -2.106 -0.097 -2.970 482 HG12 VAL 59 2HG1 VAL 59 -3.746 -0.065 -3.620 483 HG13 VAL 59 3HG1 VAL 59 -2.532 -1.126 -4.336 484 HG21 VAL 59 3HG2 VAL 59 -4.804 -3.325 -2.260 485 HG22 VAL 59 1HG2 VAL 59 -4.178 -3.124 -3.897 486 HG23 VAL 59 2HG2 VAL 59 -5.290 -1.932 -3.224 487 H SER 60 H SER 60 0.134 -2.483 -3.358 488 HA SER 60 HA SER 60 1.262 -0.806 -1.197 489 HB2 SER 60 2HB SER 60 3.472 -1.629 -1.754 490 HB3 SER 60 1HB SER 60 2.405 -3.000 -1.464 491 HG SER 60 HG SER 60 3.734 -2.247 -3.739 492 H ILE 61 H ILE 61 1.907 1.173 -1.661 493 HA ILE 61 HA ILE 61 2.390 1.912 -4.481 494 HB ILE 61 HB ILE 61 1.617 4.198 -3.939 495 HG12 ILE 61 2HG1 ILE 61 0.785 2.989 -1.278 496 HG13 ILE 61 1HG1 ILE 61 2.069 4.168 -1.516 497 HG21 ILE 61 1HG2 ILE 61 0.060 2.614 -4.955 498 HG22 ILE 61 2HG2 ILE 61 -0.786 3.709 -3.861 499 HG23 ILE 61 3HG2 ILE 61 -0.434 2.056 -3.355 500 HD11 ILE 61 3HD1 ILE 61 0.436 5.817 -2.250 501 HD12 ILE 61 1HD1 ILE 61 0.052 5.201 -0.644 502 HD13 ILE 61 2HD1 ILE 61 -0.856 4.634 -2.045 503 HA PRO 62 HA PRO 62 6.550 3.028 -3.415 504 HB2 PRO 62 2HB PRO 62 5.985 5.533 -4.959 505 HB3 PRO 62 1HB PRO 62 7.338 4.401 -5.102 506 HG2 PRO 62 2HG PRO 62 5.371 4.363 -6.891 507 HG3 PRO 62 1HG PRO 62 6.086 2.847 -6.305 508 HD2 PRO 62 2HD PRO 62 3.462 4.102 -5.604 509 HD3 PRO 62 1HD PRO 62 3.881 2.384 -5.780 510 H ALA 63 H ALA 63 7.673 4.293 -1.927 511 HA ALA 63 HA ALA 63 6.226 5.622 0.079 512 HB1 ALA 63 3HB ALA 63 8.404 6.274 0.983 513 HB2 ALA 63 1HB ALA 63 9.176 5.808 -0.534 514 HB3 ALA 63 2HB ALA 63 8.401 4.586 0.474 515 H SER 64 H SER 64 7.544 6.792 -2.902 516 HA SER 64 HA SER 64 7.650 9.559 -2.323 517 HB2 SER 64 2HB SER 64 7.526 9.846 -4.808 518 HB3 SER 64 1HB SER 64 8.756 8.693 -4.294 519 HG SER 64 HG SER 64 6.775 8.293 -5.992 520 H VAL 65 H VAL 65 4.985 7.443 -2.878 521 HA VAL 65 HA VAL 65 3.102 9.551 -3.541 522 HB VAL 65 HB VAL 65 2.517 6.659 -2.850 523 HG11 VAL 65 1HG1 VAL 65 0.879 8.731 -4.322 524 HG12 VAL 65 2HG1 VAL 65 0.567 8.121 -2.696 525 HG13 VAL 65 3HG1 VAL 65 0.426 7.044 -4.087 526 HG21 VAL 65 3HG2 VAL 65 2.949 7.891 -5.579 527 HG22 VAL 65 1HG2 VAL 65 2.497 6.221 -5.248 528 HG23 VAL 65 2HG2 VAL 65 4.080 6.820 -4.749 529 HA PRO 66 HA PRO 66 2.527 10.827 0.704 530 HB2 PRO 66 2HB PRO 66 -0.157 11.644 -0.323 531 HB3 PRO 66 1HB PRO 66 1.038 12.582 0.582 532 HG2 PRO 66 2HG PRO 66 0.737 12.979 -2.024 533 HG3 PRO 66 1HG PRO 66 2.359 12.958 -1.305 534 HD2 PRO 66 2HD PRO 66 0.964 10.837 -2.899 535 HD3 PRO 66 1HD PRO 66 2.668 11.338 -2.936 536 H LEU 67 H LEU 67 1.229 10.435 2.569 537 HA LEU 67 HA LEU 67 0.042 7.821 2.659 538 HB2 LEU 67 2HB LEU 67 1.421 8.768 4.481 539 HB3 LEU 67 1HB LEU 67 0.187 9.977 4.779 540 HG LEU 67 HG LEU 67 -1.395 8.192 5.432 541 HD11 LEU 67 1HD1 LEU 67 0.964 6.341 5.100 542 HD12 LEU 67 2HD1 LEU 67 -0.470 6.384 4.075 543 HD13 LEU 67 3HD1 LEU 67 -0.614 5.915 5.768 544 HD21 LEU 67 3HD2 LEU 67 -0.331 7.615 7.561 545 HD22 LEU 67 1HD2 LEU 67 -0.069 9.308 7.143 546 HD23 LEU 67 2HD2 LEU 67 1.230 8.135 6.924 547 H LYS 68 H LYS 68 -2.076 7.263 2.576 548 HA LYS 68 HA LYS 68 -3.971 9.329 1.823 549 HB2 LYS 68 2HB LYS 68 -4.014 6.331 1.748 550 HB3 LYS 68 1HB LYS 68 -5.496 7.249 1.522 551 HG2 LYS 68 2HG LYS 68 -4.548 6.677 -0.624 552 HG3 LYS 68 1HG LYS 68 -4.473 8.422 -0.384 553 HD2 LYS 68 2HD LYS 68 -2.090 8.155 0.319 554 HD3 LYS 68 1HD LYS 68 -2.204 6.444 -0.099 555 HE2 LYS 68 2HE LYS 68 -1.178 7.675 -1.917 556 HE3 LYS 68 1HE LYS 68 -2.756 7.071 -2.420 557 HZ1 LYS 68 3HZ LYS 68 -3.681 9.269 -2.036 558 HZ2 LYS 68 1HZ LYS 68 -2.399 9.349 -3.137 559 HZ3 LYS 68 2HZ LYS 68 -2.175 9.848 -1.534 560 H GLU 69 H GLU 69 -4.242 6.596 4.127 561 HA GLU 69 HA GLU 69 -5.481 6.303 6.006 562 HB2 GLU 69 2HB GLU 69 -4.947 9.263 6.290 563 HB3 GLU 69 1HB GLU 69 -5.656 8.268 7.554 564 HG2 GLU 69 2HG GLU 69 -3.600 6.862 7.515 565 HG3 GLU 69 1HG GLU 69 -2.898 8.008 6.375 566 H PHE 70 H PHE 70 -7.162 6.341 3.882 567 HA PHE 70 HA PHE 70 -9.369 8.125 4.253 568 HB2 PHE 70 2HB PHE 70 -9.213 5.447 2.849 569 HB3 PHE 70 1HB PHE 70 -10.624 6.497 2.818 570 HD1 PHE 70 HD2 PHE 70 -10.030 9.017 2.105 571 HD2 PHE 70 HD1 PHE 70 -7.802 5.549 1.032 572 HE1 PHE 70 HE2 PHE 70 -9.126 10.204 0.149 573 HE2 PHE 70 HE1 PHE 70 -6.895 6.734 -0.924 574 HZ PHE 70 HZ PHE 70 -7.561 9.063 -1.369 575 H ASP 71 H ASP 71 -11.635 7.146 4.688 576 HA ASP 71 HA ASP 71 -11.712 6.140 7.349 577 HB2 ASP 71 2HB ASP 71 -13.945 6.338 5.310 578 HB3 ASP 71 1HB ASP 71 -14.146 6.128 7.047 579 H TYR 72 H TYR 72 -12.802 4.161 8.063 580 HA TYR 72 HA TYR 72 -12.039 1.820 6.610 581 HB2 TYR 72 2HB TYR 72 -12.212 1.959 9.116 582 HB3 TYR 72 1HB TYR 72 -13.963 2.016 8.952 583 HD1 TYR 72 HD2 TYR 72 -10.972 -0.107 8.393 584 HD2 TYR 72 HD1 TYR 72 -15.222 0.008 8.631 585 HE1 TYR 72 HE2 TYR 72 -11.036 -2.563 8.384 586 HE2 TYR 72 HE1 TYR 72 -15.294 -2.450 8.624 587 HH TYR 72 HH TYR 72 -12.613 -4.371 9.178 588 H ASN 73 H ASN 73 -13.247 0.520 5.279 589 HA ASN 73 HA ASN 73 -14.865 -0.122 3.820 590 HB2 ASN 73 2HB ASN 73 -16.720 1.317 5.729 591 HB3 ASN 73 1HB ASN 73 -17.262 0.349 4.362 592 HD21 ASN 73 1HD2 ASN 73 -17.646 0.037 7.269 593 HD22 ASN 73 2HD2 ASN 73 -17.088 -1.555 7.633 594 H ALA 74 H ALA 74 -13.639 2.787 3.897 595 HA ALA 74 HA ALA 74 -15.454 4.413 2.427 596 HB1 ALA 74 3HB ALA 74 -13.575 5.364 3.670 597 HB2 ALA 74 1HB ALA 74 -13.524 5.847 1.975 598 HB3 ALA 74 2HB ALA 74 -12.441 4.588 2.568 599 H ARG 75 H ARG 75 -15.762 4.686 0.260 600 HA ARG 75 HA ARG 75 -14.971 2.507 -1.452 601 HB2 ARG 75 2HB ARG 75 -16.472 5.015 -2.239 602 HB3 ARG 75 1HB ARG 75 -16.486 3.457 -3.056 603 HG2 ARG 75 2HG ARG 75 -17.671 2.448 -1.198 604 HG3 ARG 75 1HG ARG 75 -17.573 3.954 -0.285 605 HD2 ARG 75 2HD ARG 75 -19.767 3.813 -1.218 606 HD3 ARG 75 1HD ARG 75 -18.890 5.054 -2.111 607 HE ARG 75 HE ARG 75 -18.997 2.352 -3.215 608 HH11 ARG 75 1HH1 ARG 75 -20.040 5.641 -3.382 609 HH12 ARG 75 2HH1 ARG 75 -20.677 5.460 -4.982 610 HH21 ARG 75 1HH2 ARG 75 -19.817 2.143 -5.241 611 HH22 ARG 75 2HH2 ARG 75 -20.538 3.506 -6.029 612 H VAL 76 H VAL 76 -12.900 2.525 -2.168 613 HA VAL 76 HA VAL 76 -11.880 4.999 -3.420 614 HB VAL 76 HB VAL 76 -9.614 4.415 -2.723 615 HG11 VAL 76 1HG1 VAL 76 -10.919 5.876 -1.278 616 HG12 VAL 76 2HG1 VAL 76 -9.838 4.867 -0.318 617 HG13 VAL 76 3HG1 VAL 76 -11.556 4.480 -0.409 618 HG21 VAL 76 3HG2 VAL 76 -9.195 2.607 -1.107 619 HG22 VAL 76 1HG2 VAL 76 -9.822 1.982 -2.632 620 HG23 VAL 76 2HG2 VAL 76 -10.883 2.110 -1.229 621 H GLU 77 H GLU 77 -10.444 4.741 -5.200 622 HA GLU 77 HA GLU 77 -10.333 2.061 -6.409 623 HB2 GLU 77 2HB GLU 77 -10.652 3.078 -8.644 624 HB3 GLU 77 1HB GLU 77 -12.055 3.282 -7.603 625 HG2 GLU 77 2HG GLU 77 -11.428 5.585 -7.163 626 HG3 GLU 77 1HG GLU 77 -9.966 5.392 -8.130 627 H LEU 78 H LEU 78 -8.560 1.763 -7.939 628 HA LEU 78 HA LEU 78 -6.195 3.241 -7.000 629 HB2 LEU 78 2HB LEU 78 -6.429 0.500 -8.246 630 HB3 LEU 78 1HB LEU 78 -4.919 1.262 -7.777 631 HG LEU 78 HG LEU 78 -7.157 0.506 -5.884 632 HD11 LEU 78 1HD1 LEU 78 -4.435 -0.734 -6.306 633 HD12 LEU 78 2HD1 LEU 78 -5.983 -1.445 -6.766 634 HD13 LEU 78 3HD1 LEU 78 -5.602 -1.191 -5.064 635 HD21 LEU 78 3HD2 LEU 78 -5.973 2.485 -5.114 636 HD22 LEU 78 1HD2 LEU 78 -4.421 1.682 -5.357 637 HD23 LEU 78 2HD2 LEU 78 -5.537 1.095 -4.120 638 H ILE 79 H ILE 79 -4.812 4.236 -8.333 639 HA ILE 79 HA ILE 79 -5.527 4.605 -11.123 640 HB ILE 79 HB ILE 79 -3.190 5.733 -9.555 641 HG12 ILE 79 2HG1 ILE 79 -5.333 6.429 -8.583 642 HG13 ILE 79 1HG1 ILE 79 -4.534 7.789 -9.365 643 HG21 ILE 79 1HG2 ILE 79 -4.329 6.504 -12.239 644 HG22 ILE 79 2HG2 ILE 79 -2.733 5.834 -11.906 645 HG23 ILE 79 3HG2 ILE 79 -3.142 7.454 -11.345 646 HD11 ILE 79 3HD1 ILE 79 -6.019 7.561 -11.287 647 HD12 ILE 79 1HD1 ILE 79 -6.929 7.785 -9.794 648 HD13 ILE 79 2HD1 ILE 79 -6.809 6.182 -10.518 649 H ASN 80 H ASN 80 -4.966 3.005 -12.488 650 HA ASN 80 HA ASN 80 -3.860 1.315 -13.524 651 HB2 ASN 80 2HB ASN 80 -1.445 2.979 -12.768 652 HB3 ASN 80 1HB ASN 80 -1.413 1.636 -13.907 653 HD21 ASN 80 1HD2 ASN 80 -2.278 4.915 -13.396 654 HD22 ASN 80 2HD2 ASN 80 -2.751 5.270 -15.015 655 HA PRO 81 HA PRO 81 -2.638 -0.926 -9.620 656 HB2 PRO 81 2HB PRO 81 -4.741 -2.583 -9.406 657 HB3 PRO 81 1HB PRO 81 -4.811 -0.917 -8.820 658 HG2 PRO 81 2HG PRO 81 -5.890 -2.081 -11.361 659 HG3 PRO 81 1HG PRO 81 -6.638 -0.910 -10.259 660 HD2 PRO 81 2HD PRO 81 -5.349 -0.234 -12.603 661 HD3 PRO 81 1HD PRO 81 -5.558 0.866 -11.225 662 H ILE 82 H ILE 82 -1.235 -2.584 -9.866 663 HA ILE 82 HA ILE 82 -1.799 -4.655 -11.900 664 HB ILE 82 HB ILE 82 0.572 -4.916 -12.341 665 HG12 ILE 82 2HG1 ILE 82 1.034 -2.606 -10.426 666 HG13 ILE 82 1HG1 ILE 82 1.376 -4.293 -10.061 667 HG21 ILE 82 1HG2 ILE 82 -0.647 -3.269 -13.683 668 HG22 ILE 82 2HG2 ILE 82 1.041 -2.805 -13.477 669 HG23 ILE 82 3HG2 ILE 82 -0.214 -2.004 -12.533 670 HD11 ILE 82 3HD1 ILE 82 3.005 -4.322 -11.911 671 HD12 ILE 82 1HD1 ILE 82 3.403 -3.157 -10.648 672 HD13 ILE 82 2HD1 ILE 82 2.701 -2.604 -12.169 673 H ALA 83 H ALA 83 -1.443 -6.787 -11.314 674 HA ALA 83 HA ALA 83 -1.067 -7.328 -8.468 675 HB1 ALA 83 3HB ALA 83 -1.712 -9.210 -10.748 676 HB2 ALA 83 1HB ALA 83 -2.876 -8.469 -9.652 677 HB3 ALA 83 2HB ALA 83 -1.700 -9.629 -9.034 678 H ASP 84 H ASP 84 0.947 -7.624 -7.678 679 HA ASP 84 HA ASP 84 3.181 -8.175 -9.397 680 HB2 ASP 84 2HB ASP 84 3.235 -6.750 -7.287 681 HB3 ASP 84 1HB ASP 84 3.188 -8.251 -6.369 682 H THR 85 H THR 85 4.765 -9.959 -8.860 683 HA THR 85 HA THR 85 3.610 -12.430 -7.821 684 HB THR 85 HB THR 85 4.568 -12.262 -10.698 685 HG1 THR 85 HG1 THR 85 2.101 -12.015 -9.544 686 HG21 THR 85 3HG2 THR 85 3.899 -14.626 -10.835 687 HG22 THR 85 1HG2 THR 85 3.533 -14.622 -9.113 688 HG23 THR 85 2HG2 THR 85 5.195 -14.391 -9.661 689 H VAL 86 H VAL 86 6.364 -10.740 -9.249 690 HA VAL 86 HA VAL 86 8.264 -12.797 -8.538 691 HB VAL 86 HB VAL 86 9.979 -11.249 -9.387 692 HG11 VAL 86 1HG1 VAL 86 8.846 -12.711 -10.962 693 HG12 VAL 86 2HG1 VAL 86 9.200 -11.162 -11.727 694 HG13 VAL 86 3HG1 VAL 86 7.560 -11.522 -11.182 695 HG21 VAL 86 3HG2 VAL 86 9.011 -9.130 -8.645 696 HG22 VAL 86 1HG2 VAL 86 7.682 -9.319 -9.792 697 HG23 VAL 86 2HG2 VAL 86 9.330 -9.092 -10.378 698 H ALA 87 H ALA 87 6.687 -10.756 -6.580 699 HA ALA 87 HA ALA 87 8.437 -9.360 -5.004 700 HB1 ALA 87 3HB ALA 87 6.010 -9.376 -4.672 701 HB2 ALA 87 1HB ALA 87 6.861 -9.675 -3.158 702 HB3 ALA 87 2HB ALA 87 6.102 -11.012 -4.023 703 H THR 88 H THR 88 7.666 -12.820 -4.665 704 HA THR 88 HA THR 88 9.249 -13.376 -2.425 705 HB THR 88 HB THR 88 7.574 -14.958 -3.221 706 HG1 THR 88 HG1 THR 88 10.235 -15.762 -2.862 707 HG21 THR 88 3HG2 THR 88 7.971 -16.355 -5.202 708 HG22 THR 88 1HG2 THR 88 9.424 -15.425 -5.563 709 HG23 THR 88 2HG2 THR 88 7.841 -14.649 -5.628 710 H ALA 89 H ALA 89 10.288 -12.618 -5.589 711 HA ALA 89 HA ALA 89 12.914 -13.885 -5.157 712 HB1 ALA 89 3HB ALA 89 11.681 -12.897 -7.725 713 HB2 ALA 89 1HB ALA 89 11.760 -14.577 -7.194 714 HB3 ALA 89 2HB ALA 89 13.244 -13.700 -7.566 715 H THR 90 H THR 90 11.336 -10.811 -5.383 716 HA THR 90 HA THR 90 13.859 -9.409 -5.946 717 HB THR 90 HB THR 90 12.447 -7.365 -6.143 718 HG1 THR 90 HG1 THR 90 10.080 -7.972 -6.382 719 HG21 THR 90 3HG2 THR 90 11.548 -9.693 -7.856 720 HG22 THR 90 1HG2 THR 90 12.980 -8.701 -8.133 721 HG23 THR 90 2HG2 THR 90 11.373 -7.985 -8.258 722 H TYR 91 H TYR 91 11.314 -9.531 -3.450 723 HA TYR 91 HA TYR 91 12.618 -7.518 -1.837 724 HB2 TYR 91 2HB TYR 91 10.266 -9.326 -1.220 725 HB3 TYR 91 1HB TYR 91 10.845 -8.052 -0.152 726 HD1 TYR 91 HD2 TYR 91 9.423 -8.679 -3.521 727 HD2 TYR 91 HD1 TYR 91 10.136 -5.807 -0.465 728 HE1 TYR 91 HE2 TYR 91 8.003 -7.071 -4.713 729 HE2 TYR 91 HE1 TYR 91 8.722 -4.183 -1.657 730 HH TYR 91 HH TYR 91 7.798 -3.731 -3.776 731 H GLN 92 H GLN 92 11.572 -10.700 -0.589 732 HA GLN 92 HA GLN 92 14.330 -11.261 0.241 733 HB2 GLN 92 2HB GLN 92 13.353 -10.028 2.115 734 HB3 GLN 92 1HB GLN 92 12.010 -11.163 2.186 735 HG2 GLN 92 2HG GLN 92 13.464 -12.942 2.872 736 HG3 GLN 92 1HG GLN 92 14.891 -11.943 2.601 737 HE21 GLN 92 1HE2 GLN 92 15.575 -12.228 4.723 738 HE22 GLN 92 2HE2 GLN 92 14.818 -11.421 6.047 739 H GLY 93 H GLY 93 10.966 -12.528 0.318 740 HA2 GLY 93 2HA GLY 93 11.219 -14.771 -1.125 741 HA3 GLY 93 1HA GLY 93 12.010 -15.265 0.361 742 H ALA 94 H ALA 94 10.168 -13.710 2.059 743 HA ALA 94 HA ALA 94 8.042 -15.682 2.205 744 HB1 ALA 94 3HB ALA 94 7.496 -14.657 4.333 745 HB2 ALA 94 1HB ALA 94 8.574 -13.302 3.989 746 HB3 ALA 94 2HB ALA 94 9.235 -14.919 4.222 747 H ASP 95 H ASP 95 8.295 -13.273 0.195 748 HA ASP 95 HA ASP 95 5.724 -11.945 0.639 749 HB2 ASP 95 2HB ASP 95 7.644 -11.357 -1.610 750 HB3 ASP 95 1HB ASP 95 6.494 -10.270 -0.830 751 H VAL 96 H VAL 96 4.172 -13.473 -0.002 752 HA VAL 96 HA VAL 96 4.202 -14.184 -2.869 753 HB VAL 96 HB VAL 96 3.137 -16.377 -2.291 754 HG11 VAL 96 1HG1 VAL 96 5.510 -16.238 -2.872 755 HG12 VAL 96 2HG1 VAL 96 5.235 -17.481 -1.654 756 HG13 VAL 96 3HG1 VAL 96 5.917 -15.925 -1.185 757 HG21 VAL 96 3HG2 VAL 96 3.370 -17.233 -0.012 758 HG22 VAL 96 1HG2 VAL 96 2.349 -15.795 -0.044 759 HG23 VAL 96 2HG2 VAL 96 4.016 -15.679 0.517 760 H ASP 97 H ASP 97 2.199 -13.523 -0.012 761 HA ASP 97 HA ASP 97 -0.319 -13.705 -1.242 762 HB2 ASP 97 2HB ASP 97 0.684 -12.023 1.060 763 HB3 ASP 97 1HB ASP 97 -0.999 -11.987 0.538 764 H TRP 98 H TRP 98 -1.477 -12.337 -2.562 765 HA TRP 98 HA TRP 98 0.201 -10.893 -4.277 766 HB2 TRP 98 2HB TRP 98 -1.767 -10.415 -5.636 767 HB3 TRP 98 1HB TRP 98 -1.648 -12.104 -5.182 768 HD1 TRP 98 HD1 TRP 98 -3.141 -11.802 -2.285 769 HE1 TRP 98 HE1 TRP 98 -5.696 -11.491 -2.308 770 HE3 TRP 98 HE3 TRP 98 -3.703 -10.072 -7.063 771 HZ2 TRP 98 HZ2 TRP 98 -7.690 -10.632 -4.124 772 HZ3 TRP 98 HZ3 TRP 98 -5.964 -9.525 -7.869 773 HH2 TRP 98 HH2 TRP 98 -7.915 -9.808 -6.426 774 H TYR 99 H TYR 99 1.137 -9.134 -3.786 775 HA TYR 99 HA TYR 99 -0.216 -6.844 -2.672 776 HB2 TYR 99 2HB TYR 99 2.580 -7.203 -3.774 777 HB3 TYR 99 1HB TYR 99 1.971 -5.670 -3.162 778 HD1 TYR 99 HD1 TYR 99 2.827 -9.148 -2.192 779 HD2 TYR 99 HD2 TYR 99 1.891 -5.225 -0.830 780 HE1 TYR 99 HE1 TYR 99 3.509 -9.784 0.084 781 HE2 TYR 99 HE2 TYR 99 2.577 -5.849 1.449 782 HH TYR 99 HH TYR 99 4.281 -8.724 2.139 783 H ILE 100 H ILE 100 -1.556 -5.706 -3.901 784 HA ILE 100 HA ILE 100 -1.167 -5.566 -6.793 785 HB ILE 100 HB ILE 100 -3.406 -4.353 -5.146 786 HG12 ILE 100 2HG1 ILE 100 -3.263 -7.032 -6.570 787 HG13 ILE 100 1HG1 ILE 100 -3.349 -6.785 -4.830 788 HG21 ILE 100 1HG2 ILE 100 -4.630 -4.322 -7.283 789 HG22 ILE 100 2HG2 ILE 100 -3.202 -4.948 -8.107 790 HG23 ILE 100 3HG2 ILE 100 -3.160 -3.347 -7.364 791 HD11 ILE 100 3HD1 ILE 100 -5.581 -5.796 -5.109 792 HD12 ILE 100 1HD1 ILE 100 -5.491 -7.460 -5.682 793 HD13 ILE 100 2HD1 ILE 100 -5.491 -6.129 -6.838 794 H LYS 101 H LYS 101 0.322 -4.129 -7.395 795 HA LYS 101 HA LYS 101 0.873 -1.775 -5.795 796 HB2 LYS 101 2HB LYS 101 2.206 -2.836 -8.299 797 HB3 LYS 101 1HB LYS 101 2.784 -1.469 -7.349 798 HG2 LYS 101 2HG LYS 101 3.109 -2.918 -5.423 799 HG3 LYS 101 1HG LYS 101 2.485 -4.293 -6.332 800 HD2 LYS 101 2HD LYS 101 4.360 -4.193 -7.858 801 HD3 LYS 101 1HD LYS 101 4.949 -2.715 -7.094 802 HE2 LYS 101 2HE LYS 101 5.360 -3.917 -5.020 803 HE3 LYS 101 1HE LYS 101 4.679 -5.390 -5.711 804 HZ1 LYS 101 3HZ LYS 101 6.480 -5.571 -7.203 805 HZ2 LYS 101 1HZ LYS 101 7.153 -5.259 -5.681 806 HZ3 LYS 101 2HZ LYS 101 7.058 -4.024 -6.833 807 H ALA 102 H ALA 102 0.345 0.286 -6.266 808 HA ALA 102 HA ALA 102 -0.908 0.834 -8.888 809 HB1 ALA 102 3HB ALA 102 -2.654 0.475 -7.188 810 HB2 ALA 102 1HB ALA 102 -2.664 2.118 -7.829 811 HB3 ALA 102 2HB ALA 102 -1.979 1.798 -6.236 812 H ASP 103 H ASP 103 -0.892 3.012 -9.581 813 HA ASP 103 HA ASP 103 1.463 4.479 -8.984 814 HB2 ASP 103 2HB ASP 103 0.448 4.508 -11.198 815 HB3 ASP 103 1HB ASP 103 -1.026 5.218 -10.548 816 H ASP 104 H ASP 104 -1.933 4.856 -8.073 817 HA ASP 104 HA ASP 104 -1.266 6.279 -5.684 818 HB2 ASP 104 2HB ASP 104 -1.112 8.137 -7.303 819 HB3 ASP 104 1HB ASP 104 -2.749 7.797 -7.851 820 H ILE 105 H ILE 105 -3.218 6.839 -4.395 821 HA ILE 105 HA ILE 105 -5.468 5.011 -4.999 822 HB ILE 105 HB ILE 105 -4.448 5.757 -2.246 823 HG12 ILE 105 2HG1 ILE 105 -4.069 3.188 -3.816 824 HG13 ILE 105 1HG1 ILE 105 -2.810 4.349 -3.413 825 HG21 ILE 105 1HG2 ILE 105 -6.517 3.726 -3.114 826 HG22 ILE 105 2HG2 ILE 105 -6.830 5.249 -2.280 827 HG23 ILE 105 3HG2 ILE 105 -5.943 3.965 -1.461 828 HD11 ILE 105 3HD1 ILE 105 -2.700 2.416 -1.965 829 HD12 ILE 105 1HD1 ILE 105 -4.370 2.673 -1.458 830 HD13 ILE 105 2HD1 ILE 105 -3.128 3.854 -1.036 831 H VAL 106 H VAL 106 -7.302 6.110 -5.408 832 HA VAL 106 HA VAL 106 -7.812 8.651 -3.967 833 HB VAL 106 HB VAL 106 -8.954 9.517 -5.970 834 HG11 VAL 106 1HG1 VAL 106 -6.625 10.113 -5.640 835 HG12 VAL 106 2HG1 VAL 106 -6.956 9.920 -7.362 836 HG13 VAL 106 3HG1 VAL 106 -6.103 8.651 -6.480 837 HG21 VAL 106 3HG2 VAL 106 -8.702 8.375 -8.139 838 HG22 VAL 106 1HG2 VAL 106 -9.633 7.411 -6.992 839 HG23 VAL 106 2HG2 VAL 106 -7.948 7.006 -7.324 840 H LEU 107 H LEU 107 -10.213 9.267 -4.056 841 HA LEU 107 HA LEU 107 -11.830 7.095 -3.131 842 HB2 LEU 107 2HB LEU 107 -12.547 9.947 -3.838 843 HB3 LEU 107 1HB LEU 107 -13.664 8.807 -3.112 844 HG LEU 107 HG LEU 107 -11.100 9.776 -1.827 845 HD11 LEU 107 1HD1 LEU 107 -12.765 11.556 -1.978 846 HD12 LEU 107 2HD1 LEU 107 -12.566 11.017 -0.312 847 HD13 LEU 107 3HD1 LEU 107 -13.973 10.501 -1.241 848 HD21 LEU 107 3HD2 LEU 107 -13.341 8.088 -0.699 849 HD22 LEU 107 1HD2 LEU 107 -11.923 8.660 0.180 850 HD23 LEU 107 2HD2 LEU 107 -11.737 7.501 -1.136 851 H THR 108 H THR 108 -13.438 5.965 -4.160 852 HA THR 108 HA THR 108 -13.362 5.582 -6.921 853 HB THR 108 HB THR 108 -15.701 4.975 -5.087 854 HG1 THR 108 HG1 THR 108 -13.671 3.165 -5.900 855 HG21 THR 108 3HG2 THR 108 -16.254 3.230 -6.727 856 HG22 THR 108 1HG2 THR 108 -14.933 3.778 -7.760 857 HG23 THR 108 2HG2 THR 108 -16.315 4.834 -7.457 858 H LEU 109 H LEU 109 -14.097 6.771 -8.570 859 HA LEU 109 HA LEU 109 -15.667 9.075 -8.370 860 HB2 LEU 109 2HB LEU 109 -15.415 7.225 -10.755 861 HB3 LEU 109 1HB LEU 109 -15.998 8.879 -10.800 862 HG LEU 109 HG LEU 109 -13.186 7.994 -10.122 863 HD11 LEU 109 1HD1 LEU 109 -14.253 9.520 -12.501 864 HD12 LEU 109 2HD1 LEU 109 -13.754 7.829 -12.503 865 HD13 LEU 109 3HD1 LEU 109 -12.566 9.096 -12.201 866 HD21 LEU 109 3HD2 LEU 109 -14.394 10.765 -10.215 867 HD22 LEU 109 1HD2 LEU 109 -12.667 10.417 -10.094 868 HD23 LEU 109 2HD2 LEU 109 -13.755 9.937 -8.794 869 H GLU 110 H GLU 110 -17.493 8.802 -7.152 870 HA GLU 110 HA GLU 110 -19.252 6.589 -7.400 871 HB2 GLU 110 2HB GLU 110 -20.728 7.946 -5.866 872 HB3 GLU 110 1HB GLU 110 -19.107 7.617 -5.275 873 HG2 GLU 110 2HG GLU 110 -18.430 9.893 -6.025 874 HG3 GLU 110 1HG GLU 110 -20.118 10.206 -6.436 Start of MODEL 11 1 H1 MET 1 1H MET 1 2.278 15.717 -10.928 2 H2 MET 1 2H MET 1 1.593 16.218 -9.466 3 H3 MET 1 3H MET 1 1.139 16.967 -10.913 4 HA MET 1 HA MET 1 0.666 14.114 -10.270 5 HB2 MET 1 2HB MET 1 -1.236 16.470 -10.180 6 HB3 MET 1 1HB MET 1 -1.729 14.785 -10.061 7 HG2 MET 1 2HG MET 1 0.027 16.287 -8.130 8 HG3 MET 1 1HG MET 1 -1.640 15.774 -7.868 9 HE1 MET 1 3HE MET 1 -0.944 14.611 -5.574 10 HE2 MET 1 1HE MET 1 0.727 15.121 -5.816 11 HE3 MET 1 2HE MET 1 0.366 13.439 -5.433 12 H MET 2 H MET 2 0.562 12.985 -12.106 13 HA MET 2 HA MET 2 -0.065 14.286 -14.635 14 HB2 MET 2 2HB MET 2 0.564 11.385 -14.032 15 HB3 MET 2 1HB MET 2 0.404 12.082 -15.639 16 HG2 MET 2 2HG MET 2 2.329 13.546 -15.154 17 HG3 MET 2 1HG MET 2 2.511 12.738 -13.596 18 HE1 MET 2 3HE MET 2 5.045 12.152 -14.181 19 HE2 MET 2 1HE MET 2 4.878 12.961 -15.740 20 HE3 MET 2 2HE MET 2 5.542 11.330 -15.659 21 H ARG 3 H ARG 3 -1.687 13.368 -16.116 22 HA ARG 3 HA ARG 3 -3.954 12.093 -14.729 23 HB2 ARG 3 2HB ARG 3 -3.858 13.603 -17.347 24 HB3 ARG 3 1HB ARG 3 -5.274 12.740 -16.767 25 HG2 ARG 3 2HG ARG 3 -3.949 15.071 -15.382 26 HG3 ARG 3 1HG ARG 3 -5.424 15.142 -16.343 27 HD2 ARG 3 2HD ARG 3 -6.160 15.077 -14.114 28 HD3 ARG 3 1HD ARG 3 -6.384 13.432 -14.708 29 HE ARG 3 HE ARG 3 -3.861 13.759 -13.435 30 HH11 ARG 3 1HH1 ARG 3 -7.210 13.234 -12.807 31 HH12 ARG 3 2HH1 ARG 3 -6.913 12.563 -11.240 32 HH21 ARG 3 1HH2 ARG 3 -3.504 12.893 -11.437 33 HH22 ARG 3 2HH2 ARG 3 -4.847 12.423 -10.450 34 H LEU 4 H LEU 4 -5.167 10.464 -16.065 35 HA LEU 4 HA LEU 4 -3.174 8.585 -17.099 36 HB2 LEU 4 2HB LEU 4 -5.998 8.183 -16.113 37 HB3 LEU 4 1HB LEU 4 -5.035 6.901 -16.825 38 HG LEU 4 HG LEU 4 -4.926 6.670 -14.442 39 HD11 LEU 4 1HD1 LEU 4 -2.338 7.874 -15.427 40 HD12 LEU 4 2HD1 LEU 4 -2.860 6.205 -15.659 41 HD13 LEU 4 3HD1 LEU 4 -2.531 6.807 -14.036 42 HD21 LEU 4 3HD2 LEU 4 -3.930 9.523 -14.293 43 HD22 LEU 4 1HD2 LEU 4 -4.132 8.407 -12.941 44 HD23 LEU 4 2HD2 LEU 4 -5.545 8.976 -13.831 45 H ALA 5 H ALA 5 -2.979 8.120 -19.163 46 HA ALA 5 HA ALA 5 -4.548 9.522 -21.109 47 HB1 ALA 5 3HB ALA 5 -2.338 7.505 -21.490 48 HB2 ALA 5 1HB ALA 5 -2.141 9.254 -21.364 49 HB3 ALA 5 2HB ALA 5 -3.002 8.560 -22.739 50 H ASN 6 H ASN 6 -5.833 8.718 -22.736 51 HA ASN 6 HA ASN 6 -7.207 6.214 -22.216 52 HB2 ASN 6 2HB ASN 6 -8.698 6.963 -24.047 53 HB3 ASN 6 1HB ASN 6 -8.501 8.201 -22.805 54 HD21 ASN 6 1HD2 ASN 6 -7.804 7.287 -26.066 55 HD22 ASN 6 2HD2 ASN 6 -7.235 8.831 -26.589 56 H GLY 7 H GLY 7 -4.373 6.242 -23.240 57 HA2 GLY 7 2HA GLY 7 -4.273 5.463 -25.951 58 HA3 GLY 7 1HA GLY 7 -3.054 5.111 -24.741 59 H ILE 8 H ILE 8 -4.720 3.549 -23.007 60 HA ILE 8 HA ILE 8 -4.860 1.089 -24.603 61 HB ILE 8 HB ILE 8 -4.857 -0.135 -22.497 62 HG12 ILE 8 2HG1 ILE 8 -4.770 2.591 -21.162 63 HG13 ILE 8 1HG1 ILE 8 -6.127 1.469 -21.128 64 HG21 ILE 8 1HG2 ILE 8 -2.711 0.459 -23.485 65 HG22 ILE 8 2HG2 ILE 8 -2.598 0.450 -21.725 66 HG23 ILE 8 3HG2 ILE 8 -2.700 1.983 -22.595 67 HD11 ILE 8 3HD1 ILE 8 -4.850 1.426 -19.050 68 HD12 ILE 8 1HD1 ILE 8 -3.406 0.953 -19.944 69 HD13 ILE 8 2HD1 ILE 8 -4.796 -0.131 -19.876 70 H VAL 9 H VAL 9 -6.687 -0.144 -24.794 71 HA VAL 9 HA VAL 9 -9.211 1.169 -24.070 72 HB VAL 9 HB VAL 9 -8.721 -1.162 -25.935 73 HG11 VAL 9 1HG1 VAL 9 -11.003 -0.693 -26.755 74 HG12 VAL 9 2HG1 VAL 9 -11.192 0.525 -25.491 75 HG13 VAL 9 3HG1 VAL 9 -10.988 -1.174 -25.058 76 HG21 VAL 9 3HG2 VAL 9 -9.146 1.765 -26.563 77 HG22 VAL 9 1HG2 VAL 9 -9.074 0.463 -27.753 78 HG23 VAL 9 2HG2 VAL 9 -7.653 0.851 -26.783 79 H LEU 10 H LEU 10 -10.144 0.529 -22.230 80 HA LEU 10 HA LEU 10 -10.020 -2.326 -21.488 81 HB2 LEU 10 2HB LEU 10 -10.272 -1.524 -19.101 82 HB3 LEU 10 1HB LEU 10 -8.728 -1.223 -19.867 83 HG LEU 10 HG LEU 10 -9.578 1.148 -20.326 84 HD11 LEU 10 1HD1 LEU 10 -11.612 0.377 -18.234 85 HD12 LEU 10 2HD1 LEU 10 -11.956 0.764 -19.921 86 HD13 LEU 10 3HD1 LEU 10 -11.313 2.005 -18.849 87 HD21 LEU 10 3HD2 LEU 10 -9.144 0.277 -17.471 88 HD22 LEU 10 1HD2 LEU 10 -8.969 1.920 -18.089 89 HD23 LEU 10 2HD2 LEU 10 -7.887 0.647 -18.651 90 H ASP 11 H ASP 11 -11.868 -2.850 -19.831 91 HA ASP 11 HA ASP 11 -14.365 -1.752 -20.966 92 HB2 ASP 11 2HB ASP 11 -13.888 -4.166 -21.445 93 HB3 ASP 11 1HB ASP 11 -13.963 -4.490 -19.718 94 H LYS 12 H LYS 12 -14.297 -3.802 -18.148 95 HA LYS 12 HA LYS 12 -13.975 -2.001 -16.078 96 HB2 LYS 12 2HB LYS 12 -16.058 -0.935 -16.998 97 HB3 LYS 12 1HB LYS 12 -16.923 -2.432 -16.674 98 HG2 LYS 12 2HG LYS 12 -16.590 -2.190 -14.313 99 HG3 LYS 12 1HG LYS 12 -15.505 -0.824 -14.559 100 HD2 LYS 12 2HD LYS 12 -17.613 0.053 -13.854 101 HD3 LYS 12 1HD LYS 12 -17.432 0.429 -15.566 102 HE2 LYS 12 2HE LYS 12 -18.972 -1.961 -14.558 103 HE3 LYS 12 1HE LYS 12 -19.710 -0.383 -14.819 104 HZ1 LYS 12 3HZ LYS 12 -18.448 -2.125 -16.863 105 HZ2 LYS 12 1HZ LYS 12 -18.932 -0.533 -17.158 106 HZ3 LYS 12 2HZ LYS 12 -20.078 -1.701 -16.740 107 H ASP 13 H ASP 13 -13.049 -3.604 -14.962 108 HA ASP 13 HA ASP 13 -13.700 -6.302 -15.158 109 HB2 ASP 13 2HB ASP 13 -12.119 -4.788 -13.083 110 HB3 ASP 13 1HB ASP 13 -12.233 -6.549 -13.111 111 H THR 14 H THR 14 -15.761 -6.906 -14.725 112 HA THR 14 HA THR 14 -17.280 -6.291 -12.436 113 HB THR 14 HB THR 14 -18.376 -7.334 -14.307 114 HG1 THR 14 HG1 THR 14 -19.539 -8.899 -13.193 115 HG21 THR 14 3HG2 THR 14 -16.492 -8.647 -15.171 116 HG22 THR 14 1HG2 THR 14 -17.929 -9.652 -14.987 117 HG23 THR 14 2HG2 THR 14 -16.626 -9.752 -13.802 118 H THR 15 H THR 15 -14.526 -8.299 -12.830 119 HA THR 15 HA THR 15 -14.754 -9.986 -10.575 120 HB THR 15 HB THR 15 -12.248 -8.828 -11.835 121 HG1 THR 15 HG1 THR 15 -12.758 -10.136 -13.400 122 HG21 THR 15 3HG2 THR 15 -11.085 -10.753 -10.857 123 HG22 THR 15 1HG2 THR 15 -12.575 -11.253 -10.058 124 HG23 THR 15 2HG2 THR 15 -11.796 -9.736 -9.603 125 H PHE 16 H PHE 16 -14.152 -6.598 -10.868 126 HA PHE 16 HA PHE 16 -13.522 -6.436 -7.986 127 HB2 PHE 16 2HB PHE 16 -12.495 -4.651 -10.207 128 HB3 PHE 16 1HB PHE 16 -12.253 -4.349 -8.491 129 HD1 PHE 16 HD1 PHE 16 -10.764 -5.780 -7.172 130 HD2 PHE 16 HD2 PHE 16 -11.221 -6.323 -11.372 131 HE1 PHE 16 HE1 PHE 16 -8.715 -7.136 -7.219 132 HE2 PHE 16 HE2 PHE 16 -9.170 -7.680 -11.421 133 HZ PHE 16 HZ PHE 16 -7.916 -8.087 -9.342 134 H GLY 17 H GLY 17 -15.784 -6.145 -7.478 135 HA2 GLY 17 2HA GLY 17 -17.291 -3.895 -8.312 136 HA3 GLY 17 1HA GLY 17 -17.490 -4.747 -6.784 137 H GLU 18 H GLU 18 -17.924 -2.214 -6.356 138 HA GLU 18 HA GLU 18 -15.782 -0.442 -6.305 139 HB2 GLU 18 2HB GLU 18 -17.121 0.717 -4.400 140 HB3 GLU 18 1HB GLU 18 -17.787 0.640 -6.019 141 HG2 GLU 18 2HG GLU 18 -19.597 0.151 -4.671 142 HG3 GLU 18 1HG GLU 18 -19.054 -1.436 -5.198 143 H LEU 19 H LEU 19 -14.222 0.156 -4.882 144 HA LEU 19 HA LEU 19 -13.326 -1.963 -3.108 145 HB2 LEU 19 2HB LEU 19 -11.957 0.625 -3.859 146 HB3 LEU 19 1HB LEU 19 -11.214 -0.742 -3.051 147 HG LEU 19 HG LEU 19 -12.259 -0.725 -5.891 148 HD11 LEU 19 1HD1 LEU 19 -10.226 0.577 -5.667 149 HD12 LEU 19 2HD1 LEU 19 -9.897 -0.931 -6.519 150 HD13 LEU 19 3HD1 LEU 19 -9.437 -0.757 -4.824 151 HD21 LEU 19 3HD2 LEU 19 -12.520 -2.921 -4.846 152 HD22 LEU 19 1HD2 LEU 19 -10.820 -2.906 -4.375 153 HD23 LEU 19 2HD2 LEU 19 -11.264 -2.944 -6.082 154 H LYS 20 H LYS 20 -12.190 -1.211 -1.014 155 HA LYS 20 HA LYS 20 -13.337 1.114 0.260 156 HB2 LYS 20 2HB LYS 20 -15.063 -0.806 0.320 157 HB3 LYS 20 1HB LYS 20 -14.009 -1.537 1.518 158 HG2 LYS 20 2HG LYS 20 -14.520 0.006 3.114 159 HG3 LYS 20 1HG LYS 20 -14.835 1.287 1.943 160 HD2 LYS 20 2HD LYS 20 -16.651 -1.105 2.214 161 HD3 LYS 20 1HD LYS 20 -16.837 0.327 3.227 162 HE2 LYS 20 2HE LYS 20 -18.327 0.381 1.267 163 HE3 LYS 20 1HE LYS 20 -17.178 1.715 1.260 164 HZ1 LYS 20 3HZ LYS 20 -15.907 0.658 -0.418 165 HZ2 LYS 20 1HZ LYS 20 -17.518 0.586 -0.920 166 HZ3 LYS 20 2HZ LYS 20 -16.773 -0.787 -0.284 167 H PHE 21 H PHE 21 -12.063 1.877 1.830 168 HA PHE 21 HA PHE 21 -9.505 0.692 2.285 169 HB2 PHE 21 2HB PHE 21 -9.993 3.162 2.157 170 HB3 PHE 21 1HB PHE 21 -10.759 3.037 3.735 171 HD1 PHE 21 HD1 PHE 21 -9.377 2.476 5.734 172 HD2 PHE 21 HD2 PHE 21 -7.634 3.255 1.925 173 HE1 PHE 21 HE1 PHE 21 -7.198 2.846 6.806 174 HE2 PHE 21 HE2 PHE 21 -5.453 3.621 2.996 175 HZ PHE 21 HZ PHE 21 -5.232 3.416 5.440 176 H SER 22 H SER 22 -8.673 -0.306 4.137 177 HA SER 22 HA SER 22 -10.545 -0.662 6.403 178 HB2 SER 22 2HB SER 22 -10.279 -2.779 5.160 179 HB3 SER 22 1HB SER 22 -8.535 -2.697 5.395 180 HG SER 22 HG SER 22 -8.827 -3.574 7.273 181 H ALA 23 H ALA 23 -7.044 -1.206 5.751 182 HA ALA 23 HA ALA 23 -6.264 0.731 7.741 183 HB1 ALA 23 3HB ALA 23 -5.814 -2.193 8.344 184 HB2 ALA 23 1HB ALA 23 -6.904 -1.109 9.207 185 HB3 ALA 23 2HB ALA 23 -5.162 -0.840 9.270 186 H LEU 24 H LEU 24 -3.729 0.206 8.275 187 HA LEU 24 HA LEU 24 -2.390 -0.031 5.679 188 HB2 LEU 24 2HB LEU 24 -1.827 1.889 7.075 189 HB3 LEU 24 1HB LEU 24 -1.362 0.831 8.392 190 HG LEU 24 HG LEU 24 0.529 -0.017 7.052 191 HD11 LEU 24 1HD1 LEU 24 1.142 1.084 4.950 192 HD12 LEU 24 2HD1 LEU 24 -0.362 2.005 4.994 193 HD13 LEU 24 3HD1 LEU 24 -0.406 0.251 4.821 194 HD21 LEU 24 3HD2 LEU 24 0.442 2.996 7.244 195 HD22 LEU 24 1HD2 LEU 24 1.899 2.009 7.106 196 HD23 LEU 24 2HD2 LEU 24 0.884 1.884 8.542 197 H ARG 25 H ARG 25 -1.078 -1.716 5.111 198 HA ARG 25 HA ARG 25 -1.101 -4.068 6.832 199 HB2 ARG 25 2HB ARG 25 -1.730 -4.321 4.493 200 HB3 ARG 25 1HB ARG 25 -0.185 -3.673 3.974 201 HG2 ARG 25 2HG ARG 25 -0.255 -6.089 3.716 202 HG3 ARG 25 1HG ARG 25 0.962 -5.623 4.903 203 HD2 ARG 25 2HD ARG 25 -0.397 -6.330 6.714 204 HD3 ARG 25 1HD ARG 25 -1.823 -6.465 5.686 205 HE ARG 25 HE ARG 25 -0.279 -8.273 4.549 206 HH11 ARG 25 1HH1 ARG 25 -0.675 -7.670 7.916 207 HH12 ARG 25 2HH1 ARG 25 -0.526 -9.338 8.341 208 HH21 ARG 25 1HH2 ARG 25 -0.055 -10.409 5.113 209 HH22 ARG 25 2HH2 ARG 25 -0.141 -10.860 6.780 210 H ARG 26 H ARG 26 1.446 -2.520 4.840 211 HA ARG 26 HA ARG 26 3.381 -2.592 6.959 212 HB2 ARG 26 2HB ARG 26 3.426 -4.967 6.404 213 HB3 ARG 26 1HB ARG 26 3.637 -4.594 4.698 214 HG2 ARG 26 2HG ARG 26 5.806 -3.469 5.324 215 HG3 ARG 26 1HG ARG 26 5.604 -4.159 6.933 216 HD2 ARG 26 2HD ARG 26 5.764 -5.727 4.357 217 HD3 ARG 26 1HD ARG 26 7.088 -5.500 5.495 218 HE ARG 26 HE ARG 26 4.616 -6.820 6.377 219 HH11 ARG 26 1HH1 ARG 26 8.011 -6.914 5.764 220 HH12 ARG 26 2HH1 ARG 26 8.212 -8.464 6.501 221 HH21 ARG 26 1HH2 ARG 26 4.893 -8.823 7.298 222 HH22 ARG 26 2HH2 ARG 26 6.473 -9.525 7.361 223 H GLU 27 H GLU 27 5.109 -1.250 6.526 224 HA GLU 27 HA GLU 27 5.369 -0.182 3.783 225 HB2 GLU 27 2HB GLU 27 6.451 0.926 6.393 226 HB3 GLU 27 1HB GLU 27 6.596 1.688 4.814 227 HG2 GLU 27 2HG GLU 27 4.205 2.014 4.704 228 HG3 GLU 27 1HG GLU 27 3.981 1.125 6.210 229 H VAL 28 H VAL 28 6.746 -1.604 2.736 230 HA VAL 28 HA VAL 28 8.891 -2.915 4.105 231 HB VAL 28 HB VAL 28 9.546 -3.800 1.878 232 HG11 VAL 28 1HG1 VAL 28 6.602 -4.020 2.536 233 HG12 VAL 28 2HG1 VAL 28 7.904 -4.986 3.232 234 HG13 VAL 28 3HG1 VAL 28 7.513 -5.138 1.521 235 HG21 VAL 28 3HG2 VAL 28 7.248 -2.111 0.871 236 HG22 VAL 28 1HG2 VAL 28 8.059 -3.373 -0.059 237 HG23 VAL 28 2HG2 VAL 28 8.952 -1.942 0.447 238 H ARG 29 H ARG 29 10.290 -1.466 4.946 239 HA ARG 29 HA ARG 29 11.395 0.692 3.370 240 HB2 ARG 29 2HB ARG 29 11.922 -0.220 6.202 241 HB3 ARG 29 1HB ARG 29 12.689 1.181 5.463 242 HG2 ARG 29 2HG ARG 29 10.488 2.213 5.143 243 HG3 ARG 29 1HG ARG 29 9.729 0.815 5.906 244 HD2 ARG 29 2HD ARG 29 10.789 1.286 7.995 245 HD3 ARG 29 1HD ARG 29 11.809 2.527 7.265 246 HE ARG 29 HE ARG 29 8.932 2.955 7.156 247 HH11 ARG 29 1HH1 ARG 29 11.885 3.581 8.802 248 HH12 ARG 29 2HH1 ARG 29 11.335 5.076 9.471 249 HH21 ARG 29 1HH2 ARG 29 8.214 4.867 8.031 250 HH22 ARG 29 2HH2 ARG 29 9.261 5.779 9.059 251 H ILE 30 H ILE 30 13.690 1.076 3.174 252 HA ILE 30 HA ILE 30 15.114 -1.256 2.234 253 HB ILE 30 HB ILE 30 16.016 1.637 2.376 254 HG12 ILE 30 2HG1 ILE 30 14.768 0.102 0.071 255 HG13 ILE 30 1HG1 ILE 30 13.961 1.336 1.032 256 HG21 ILE 30 1HG2 ILE 30 17.906 0.146 2.152 257 HG22 ILE 30 2HG2 ILE 30 17.623 0.950 0.608 258 HG23 ILE 30 3HG2 ILE 30 17.113 -0.723 0.836 259 HD11 ILE 30 3HD1 ILE 30 14.690 2.229 -1.094 260 HD12 ILE 30 1HD1 ILE 30 16.355 1.770 -0.741 261 HD13 ILE 30 2HD1 ILE 30 15.555 3.007 0.233 262 H GLN 31 H GLN 31 16.769 -2.302 3.263 263 HA GLN 31 HA GLN 31 17.637 -1.199 5.866 264 HB2 GLN 31 2HB GLN 31 16.384 -3.398 5.862 265 HB3 GLN 31 1HB GLN 31 17.752 -4.101 5.010 266 HG2 GLN 31 2HG GLN 31 19.208 -3.679 6.873 267 HG3 GLN 31 1HG GLN 31 17.947 -2.770 7.705 268 HE21 GLN 31 1HE2 GLN 31 19.383 -5.077 8.638 269 HE22 GLN 31 2HE2 GLN 31 18.214 -6.307 8.947 270 H ASN 32 H ASN 32 19.736 -0.733 6.165 271 HA ASN 32 HA ASN 32 21.417 -0.539 3.887 272 HB2 ASN 32 2HB ASN 32 22.079 -0.107 6.808 273 HB3 ASN 32 1HB ASN 32 23.099 0.373 5.456 274 HD21 ASN 32 1HD2 ASN 32 20.265 1.087 7.289 275 HD22 ASN 32 2HD2 ASN 32 19.944 2.623 6.570 276 H GLU 33 H GLU 33 23.447 -1.479 3.458 277 HA GLU 33 HA GLU 33 23.905 -4.170 3.922 278 HB2 GLU 33 2HB GLU 33 26.281 -3.695 3.317 279 HB3 GLU 33 1HB GLU 33 25.123 -2.981 2.203 280 HG2 GLU 33 2HG GLU 33 25.408 -0.806 3.256 281 HG3 GLU 33 1HG GLU 33 26.517 -1.502 4.434 282 H ASP 34 H ASP 34 24.917 -1.385 5.817 283 HA ASP 34 HA ASP 34 26.568 -2.468 7.727 284 HB2 ASP 34 2HB ASP 34 26.116 -0.095 7.606 285 HB3 ASP 34 1HB ASP 34 24.419 -0.349 7.991 286 H GLY 35 H GLY 35 23.020 -2.552 7.638 287 HA2 GLY 35 2HA GLY 35 22.163 -4.753 8.613 288 HA3 GLY 35 1HA GLY 35 23.013 -4.246 10.064 289 H SER 36 H SER 36 22.353 -1.484 9.967 290 HA SER 36 HA SER 36 19.811 -1.561 11.241 291 HB2 SER 36 2HB SER 36 21.405 0.846 10.324 292 HB3 SER 36 1HB SER 36 20.059 0.873 11.465 293 HG SER 36 HG SER 36 22.370 0.782 12.277 294 H VAL 37 H VAL 37 17.843 -0.616 10.652 295 HA VAL 37 HA VAL 37 17.280 -0.699 7.799 296 HB VAL 37 HB VAL 37 15.337 -0.182 10.065 297 HG11 VAL 37 1HG1 VAL 37 13.653 -1.005 8.470 298 HG12 VAL 37 2HG1 VAL 37 14.905 -1.165 7.238 299 HG13 VAL 37 3HG1 VAL 37 14.483 0.429 7.864 300 HG21 VAL 37 3HG2 VAL 37 16.526 -2.294 10.441 301 HG22 VAL 37 1HG2 VAL 37 16.103 -2.827 8.812 302 HG23 VAL 37 2HG2 VAL 37 14.838 -2.580 10.017 303 H SER 38 H SER 38 16.683 1.005 6.525 304 HA SER 38 HA SER 38 17.175 3.697 7.535 305 HB2 SER 38 2HB SER 38 18.198 3.123 5.401 306 HB3 SER 38 1HB SER 38 16.632 2.669 4.733 307 HG SER 38 HG SER 38 17.769 5.047 4.691 308 H ASP 39 H ASP 39 15.707 5.487 6.859 309 HA ASP 39 HA ASP 39 12.901 4.794 7.226 310 HB2 ASP 39 2HB ASP 39 14.314 7.461 7.001 311 HB3 ASP 39 1HB ASP 39 12.571 7.293 7.184 312 H GLU 40 H GLU 40 15.008 5.156 4.607 313 HA GLU 40 HA GLU 40 13.114 6.051 2.654 314 HB2 GLU 40 2HB GLU 40 15.714 4.525 2.401 315 HB3 GLU 40 1HB GLU 40 14.728 4.960 1.009 316 HG2 GLU 40 2HG GLU 40 14.921 7.353 1.737 317 HG3 GLU 40 1HG GLU 40 16.095 6.821 2.942 318 H ILE 41 H ILE 41 11.714 4.892 1.395 319 HA ILE 41 HA ILE 41 11.240 2.110 2.276 320 HB ILE 41 HB ILE 41 9.194 4.060 1.176 321 HG12 ILE 41 2HG1 ILE 41 9.732 3.274 4.058 322 HG13 ILE 41 1HG1 ILE 41 10.087 4.842 3.342 323 HG21 ILE 41 1HG2 ILE 41 7.543 2.469 2.020 324 HG22 ILE 41 2HG2 ILE 41 8.833 1.410 2.588 325 HG23 ILE 41 3HG2 ILE 41 8.621 1.692 0.861 326 HD11 ILE 41 3HD1 ILE 41 7.699 5.206 2.963 327 HD12 ILE 41 1HD1 ILE 41 8.062 4.924 4.666 328 HD13 ILE 41 2HD1 ILE 41 7.348 3.638 3.692 329 H LYS 42 H LYS 42 10.446 0.585 0.709 330 HA LYS 42 HA LYS 42 11.133 1.186 -2.077 331 HB2 LYS 42 2HB LYS 42 10.486 -1.395 -0.668 332 HB3 LYS 42 1HB LYS 42 10.786 -1.270 -2.400 333 HG2 LYS 42 2HG LYS 42 13.035 -0.482 -2.001 334 HG3 LYS 42 1HG LYS 42 12.744 -0.444 -0.260 335 HD2 LYS 42 2HD LYS 42 12.382 -2.855 -0.274 336 HD3 LYS 42 1HD LYS 42 12.689 -2.891 -2.008 337 HE2 LYS 42 2HE LYS 42 14.968 -2.172 -1.668 338 HE3 LYS 42 1HE LYS 42 14.679 -1.951 0.060 339 HZ1 LYS 42 3HZ LYS 42 14.653 -4.527 -1.421 340 HZ2 LYS 42 1HZ LYS 42 14.254 -4.356 0.216 341 HZ3 LYS 42 2HZ LYS 42 15.820 -4.010 -0.314 342 H GLU 43 H GLU 43 8.451 -0.352 -0.289 343 HA GLU 43 HA GLU 43 6.500 1.083 -1.927 344 HB2 GLU 43 2HB GLU 43 6.391 -1.915 -1.491 345 HB3 GLU 43 1HB GLU 43 5.133 -0.948 -2.248 346 HG2 GLU 43 2HG GLU 43 6.871 -0.293 -3.970 347 HG3 GLU 43 1HG GLU 43 7.882 -1.565 -3.289 348 H ARG 44 H ARG 44 4.413 1.260 -0.957 349 HA ARG 44 HA ARG 44 4.297 0.566 1.913 350 HB2 ARG 44 2HB ARG 44 4.360 2.964 1.622 351 HB3 ARG 44 1HB ARG 44 3.081 2.903 0.421 352 HG2 ARG 44 2HG ARG 44 1.459 2.285 2.085 353 HG3 ARG 44 1HG ARG 44 2.718 2.128 3.314 354 HD2 ARG 44 2HD ARG 44 2.122 4.711 1.864 355 HD3 ARG 44 1HD ARG 44 1.378 4.265 3.399 356 HE ARG 44 HE ARG 44 3.765 4.133 4.239 357 HH11 ARG 44 1HH1 ARG 44 2.867 6.274 1.678 358 HH12 ARG 44 2HH1 ARG 44 4.102 7.414 2.075 359 HH21 ARG 44 1HH2 ARG 44 5.314 5.613 4.724 360 HH22 ARG 44 2HH2 ARG 44 5.462 7.053 3.766 361 H THR 45 H THR 45 3.018 -1.149 2.207 362 HA THR 45 HA THR 45 0.901 -1.750 0.278 363 HB THR 45 HB THR 45 2.034 -3.477 2.505 364 HG1 THR 45 HG1 THR 45 2.403 -3.774 -0.309 365 HG21 THR 45 3HG2 THR 45 0.171 -4.206 0.223 366 HG22 THR 45 1HG2 THR 45 -0.282 -4.099 1.925 367 HG23 THR 45 2HG2 THR 45 0.863 -5.330 1.393 368 H TYR 46 H TYR 46 -1.184 -1.419 0.682 369 HA TYR 46 HA TYR 46 -2.077 -0.935 3.451 370 HB2 TYR 46 2HB TYR 46 -2.916 0.167 0.807 371 HB3 TYR 46 1HB TYR 46 -4.150 0.004 2.049 372 HD1 TYR 46 HD2 TYR 46 -3.936 1.243 4.176 373 HD2 TYR 46 HD1 TYR 46 -1.246 1.913 0.944 374 HE1 TYR 46 HE2 TYR 46 -3.261 3.373 5.191 375 HE2 TYR 46 HE1 TYR 46 -0.564 4.052 1.956 376 HH TYR 46 HH TYR 46 -1.390 4.915 5.164 377 H ASP 47 H ASP 47 -4.144 -1.708 4.123 378 HA ASP 47 HA ASP 47 -4.972 -4.244 2.905 379 HB2 ASP 47 2HB ASP 47 -5.703 -2.937 5.543 380 HB3 ASP 47 1HB ASP 47 -6.335 -4.485 4.994 381 H LEU 48 H LEU 48 -6.428 -3.947 1.271 382 HA LEU 48 HA LEU 48 -8.717 -2.142 1.793 383 HB2 LEU 48 2HB LEU 48 -7.506 -2.810 -0.895 384 HB3 LEU 48 1HB LEU 48 -8.902 -1.784 -0.627 385 HG LEU 48 HG LEU 48 -6.036 -1.202 0.146 386 HD11 LEU 48 1HD1 LEU 48 -6.562 -0.836 -2.213 387 HD12 LEU 48 2HD1 LEU 48 -6.272 0.689 -1.378 388 HD13 LEU 48 3HD1 LEU 48 -7.921 0.192 -1.757 389 HD21 LEU 48 3HD2 LEU 48 -6.831 0.936 1.018 390 HD22 LEU 48 1HD2 LEU 48 -7.520 -0.415 1.918 391 HD23 LEU 48 2HD2 LEU 48 -8.499 0.443 0.729 392 H LYS 49 H LYS 49 -10.741 -2.748 0.704 393 HA LYS 49 HA LYS 49 -11.056 -5.688 0.558 394 HB2 LYS 49 2HB LYS 49 -13.195 -3.691 1.330 395 HB3 LYS 49 1HB LYS 49 -13.267 -5.441 1.476 396 HG2 LYS 49 2HG LYS 49 -11.414 -3.639 3.031 397 HG3 LYS 49 1HG LYS 49 -12.927 -4.312 3.633 398 HD2 LYS 49 2HD LYS 49 -10.587 -5.978 2.688 399 HD3 LYS 49 1HD LYS 49 -10.875 -5.542 4.371 400 HE2 LYS 49 2HE LYS 49 -13.083 -6.671 4.235 401 HE3 LYS 49 1HE LYS 49 -12.683 -7.188 2.597 402 HZ1 LYS 49 3HZ LYS 49 -11.069 -7.863 4.996 403 HZ2 LYS 49 1HZ LYS 49 -10.873 -8.479 3.435 404 HZ3 LYS 49 2HZ LYS 49 -12.246 -8.880 4.333 405 H SER 50 H SER 50 -12.363 -6.567 -1.096 406 HA SER 50 HA SER 50 -13.324 -4.669 -3.157 407 HB2 SER 50 2HB SER 50 -11.852 -7.277 -3.644 408 HB3 SER 50 1HB SER 50 -12.589 -6.285 -4.901 409 HG SER 50 HG SER 50 -11.036 -4.709 -3.443 410 H LYS 51 H LYS 51 -15.431 -4.900 -3.603 411 HA LYS 51 HA LYS 51 -17.054 -6.936 -2.504 412 HB2 LYS 51 2HB LYS 51 -17.577 -4.919 -4.686 413 HB3 LYS 51 1HB LYS 51 -18.812 -6.026 -4.103 414 HG2 LYS 51 2HG LYS 51 -17.379 -3.927 -2.485 415 HG3 LYS 51 1HG LYS 51 -19.044 -3.860 -3.062 416 HD2 LYS 51 2HD LYS 51 -19.384 -6.034 -1.722 417 HD3 LYS 51 1HD LYS 51 -17.857 -5.623 -0.934 418 HE2 LYS 51 2HE LYS 51 -20.436 -4.066 -0.929 419 HE3 LYS 51 1HE LYS 51 -19.578 -4.753 0.448 420 HZ1 LYS 51 3HZ LYS 51 -18.692 -2.471 -1.232 421 HZ2 LYS 51 1HZ LYS 51 -17.774 -3.161 0.013 422 HZ3 LYS 51 2HZ LYS 51 -19.239 -2.398 0.370 423 H GLY 52 H GLY 52 -15.439 -6.714 -5.608 424 HA2 GLY 52 2HA GLY 52 -16.964 -8.366 -7.205 425 HA3 GLY 52 1HA GLY 52 -15.220 -8.238 -7.323 426 H GLN 53 H GLN 53 -13.944 -9.671 -5.882 427 HA GLN 53 HA GLN 53 -15.137 -12.317 -5.766 428 HB2 GLN 53 2HB GLN 53 -12.319 -11.378 -5.176 429 HB3 GLN 53 1HB GLN 53 -12.838 -13.062 -5.186 430 HG2 GLN 53 2HG GLN 53 -13.451 -12.858 -7.546 431 HG3 GLN 53 1HG GLN 53 -12.919 -11.179 -7.540 432 HE21 GLN 53 1HE2 GLN 53 -11.998 -13.429 -9.139 433 HE22 GLN 53 2HE2 GLN 53 -10.300 -13.563 -8.843 434 H GLY 54 H GLY 54 -15.401 -9.844 -3.746 435 HA2 GLY 54 2HA GLY 54 -15.963 -9.612 -1.537 436 HA3 GLY 54 1HA GLY 54 -16.429 -11.299 -1.625 437 H ARG 55 H ARG 55 -13.148 -9.992 -1.942 438 HA ARG 55 HA ARG 55 -12.430 -11.211 0.645 439 HB2 ARG 55 2HB ARG 55 -10.967 -11.605 -1.977 440 HB3 ARG 55 1HB ARG 55 -10.322 -12.071 -0.409 441 HG2 ARG 55 2HG ARG 55 -12.176 -13.643 -0.110 442 HG3 ARG 55 1HG ARG 55 -12.832 -13.169 -1.678 443 HD2 ARG 55 2HD ARG 55 -10.162 -14.491 -1.172 444 HD3 ARG 55 1HD ARG 55 -11.591 -15.253 -1.869 445 HE ARG 55 HE ARG 55 -10.985 -13.069 -3.465 446 HH11 ARG 55 1HH1 ARG 55 -9.487 -16.037 -2.554 447 HH12 ARG 55 2HH1 ARG 55 -8.603 -16.163 -4.033 448 HH21 ARG 55 1HH2 ARG 55 -9.830 -13.259 -5.368 449 HH22 ARG 55 2HH2 ARG 55 -8.814 -14.632 -5.607 450 H MET 56 H MET 56 -9.947 -10.653 1.050 451 HA MET 56 HA MET 56 -9.720 -7.748 0.882 452 HB2 MET 56 2HB MET 56 -7.860 -7.991 2.460 453 HB3 MET 56 1HB MET 56 -9.297 -8.820 3.044 454 HG2 MET 56 2HG MET 56 -6.961 -10.159 1.686 455 HG3 MET 56 1HG MET 56 -7.221 -10.089 3.429 456 HE1 MET 56 3HE MET 56 -6.960 -12.727 3.502 457 HE2 MET 56 1HE MET 56 -6.789 -12.841 1.752 458 HE3 MET 56 2HE MET 56 -7.970 -13.850 2.590 459 H ILE 57 H ILE 57 -7.943 -6.661 0.008 460 HA ILE 57 HA ILE 57 -6.202 -8.242 -1.787 461 HB ILE 57 HB ILE 57 -6.233 -6.406 -3.398 462 HG12 ILE 57 2HG1 ILE 57 -8.248 -5.084 -1.550 463 HG13 ILE 57 1HG1 ILE 57 -6.603 -4.530 -1.841 464 HG21 ILE 57 1HG2 ILE 57 -9.019 -7.295 -2.632 465 HG22 ILE 57 2HG2 ILE 57 -7.883 -8.170 -3.659 466 HG23 ILE 57 3HG2 ILE 57 -8.545 -6.627 -4.195 467 HD11 ILE 57 3HD1 ILE 57 -7.182 -4.151 -4.206 468 HD12 ILE 57 1HD1 ILE 57 -8.154 -3.190 -3.092 469 HD13 ILE 57 2HD1 ILE 57 -8.842 -4.626 -3.847 470 H GLN 58 H GLN 58 -4.007 -7.813 -1.669 471 HA GLN 58 HA GLN 58 -3.205 -5.759 0.278 472 HB2 GLN 58 2HB GLN 58 -1.535 -7.889 -1.084 473 HB3 GLN 58 1HB GLN 58 -0.978 -6.805 0.182 474 HG2 GLN 58 2HG GLN 58 -3.253 -8.730 0.582 475 HG3 GLN 58 1HG GLN 58 -1.575 -9.173 0.860 476 HE21 GLN 58 1HE2 GLN 58 -2.930 -5.998 1.656 477 HE22 GLN 58 2HE2 GLN 58 -2.802 -6.193 3.360 478 H VAL 59 H VAL 59 -3.032 -3.774 -0.583 479 HA VAL 59 HA VAL 59 -2.212 -3.497 -3.381 480 HB VAL 59 HB VAL 59 -3.388 -1.452 -1.487 481 HG11 VAL 59 1HG1 VAL 59 -1.964 -0.388 -3.174 482 HG12 VAL 59 2HG1 VAL 59 -3.667 -0.034 -3.468 483 HG13 VAL 59 3HG1 VAL 59 -2.832 -1.237 -4.453 484 HG21 VAL 59 3HG2 VAL 59 -5.415 -1.708 -2.849 485 HG22 VAL 59 1HG2 VAL 59 -4.956 -3.225 -2.078 486 HG23 VAL 59 2HG2 VAL 59 -4.622 -2.970 -3.790 487 H SER 60 H SER 60 -0.167 -3.087 -3.855 488 HA SER 60 HA SER 60 1.533 -1.730 -1.855 489 HB2 SER 60 2HB SER 60 2.309 -3.544 -4.157 490 HB3 SER 60 1HB SER 60 3.456 -2.726 -3.095 491 HG SER 60 HG SER 60 3.187 -4.713 -2.223 492 H ILE 61 H ILE 61 1.887 0.343 -2.224 493 HA ILE 61 HA ILE 61 2.011 1.337 -5.005 494 HB ILE 61 HB ILE 61 1.545 3.583 -4.055 495 HG12 ILE 61 2HG1 ILE 61 1.193 2.051 -1.462 496 HG13 ILE 61 1HG1 ILE 61 2.430 3.257 -1.797 497 HG21 ILE 61 1HG2 ILE 61 -0.283 2.228 -4.934 498 HG22 ILE 61 2HG2 ILE 61 -0.830 3.199 -3.567 499 HG23 ILE 61 3HG2 ILE 61 -0.508 1.476 -3.354 500 HD11 ILE 61 3HD1 ILE 61 0.686 4.189 -0.417 501 HD12 ILE 61 1HD1 ILE 61 -0.535 3.745 -1.609 502 HD13 ILE 61 2HD1 ILE 61 0.677 4.963 -2.001 503 HA PRO 62 HA PRO 62 6.341 2.164 -4.651 504 HB2 PRO 62 2HB PRO 62 6.540 4.568 -5.996 505 HB3 PRO 62 1HB PRO 62 6.415 2.989 -6.779 506 HG2 PRO 62 2HG PRO 62 4.272 5.013 -6.244 507 HG3 PRO 62 1HG PRO 62 4.556 4.036 -7.697 508 HD2 PRO 62 2HD PRO 62 2.649 3.381 -5.927 509 HD3 PRO 62 1HD PRO 62 3.606 2.132 -6.758 510 H ALA 63 H ALA 63 7.904 3.438 -3.567 511 HA ALA 63 HA ALA 63 7.018 4.612 -1.160 512 HB1 ALA 63 3HB ALA 63 9.366 5.124 -0.748 513 HB2 ALA 63 1HB ALA 63 9.745 4.785 -2.437 514 HB3 ALA 63 2HB ALA 63 9.174 3.490 -1.386 515 H SER 64 H SER 64 7.531 6.011 -4.266 516 HA SER 64 HA SER 64 7.997 8.702 -3.477 517 HB2 SER 64 2HB SER 64 6.785 7.613 -6.034 518 HB3 SER 64 1HB SER 64 7.327 9.275 -5.800 519 HG SER 64 HG SER 64 8.773 7.276 -6.636 520 H VAL 65 H VAL 65 5.263 6.788 -3.116 521 HA VAL 65 HA VAL 65 3.328 8.966 -3.327 522 HB VAL 65 HB VAL 65 2.892 6.075 -2.538 523 HG11 VAL 65 1HG1 VAL 65 0.921 8.205 -3.377 524 HG12 VAL 65 2HG1 VAL 65 1.112 7.543 -1.754 525 HG13 VAL 65 3HG1 VAL 65 0.537 6.512 -3.064 526 HG21 VAL 65 3HG2 VAL 65 2.109 5.747 -4.837 527 HG22 VAL 65 1HG2 VAL 65 3.800 6.252 -4.799 528 HG23 VAL 65 2HG2 VAL 65 2.540 7.412 -5.224 529 HA PRO 66 HA PRO 66 3.701 9.890 1.047 530 HB2 PRO 66 2HB PRO 66 1.532 11.507 1.302 531 HB3 PRO 66 1HB PRO 66 3.022 12.020 0.502 532 HG2 PRO 66 2HG PRO 66 0.474 11.010 -0.717 533 HG3 PRO 66 1HG PRO 66 1.469 12.398 -1.198 534 HD2 PRO 66 2HD PRO 66 1.597 10.016 -2.480 535 HD3 PRO 66 1HD PRO 66 3.017 11.068 -2.297 536 H LEU 67 H LEU 67 2.006 10.118 2.974 537 HA LEU 67 HA LEU 67 0.847 7.480 3.265 538 HB2 LEU 67 2HB LEU 67 2.199 8.628 5.033 539 HB3 LEU 67 1HB LEU 67 0.891 9.781 5.226 540 HG LEU 67 HG LEU 67 -0.608 7.888 5.881 541 HD11 LEU 67 1HD1 LEU 67 0.581 6.064 4.800 542 HD12 LEU 67 2HD1 LEU 67 0.428 5.756 6.531 543 HD13 LEU 67 3HD1 LEU 67 1.966 6.305 5.866 544 HD21 LEU 67 3HD2 LEU 67 1.873 8.283 7.563 545 HD22 LEU 67 1HD2 LEU 67 0.331 7.636 8.133 546 HD23 LEU 67 2HD2 LEU 67 0.432 9.302 7.570 547 H LYS 68 H LYS 68 -1.314 6.957 3.547 548 HA LYS 68 HA LYS 68 -3.264 9.034 2.782 549 HB2 LYS 68 2HB LYS 68 -3.254 6.036 2.532 550 HB3 LYS 68 1HB LYS 68 -4.768 6.924 2.478 551 HG2 LYS 68 2HG LYS 68 -3.938 6.443 0.238 552 HG3 LYS 68 1HG LYS 68 -3.998 8.179 0.541 553 HD2 LYS 68 2HD LYS 68 -1.607 8.244 0.891 554 HD3 LYS 68 1HD LYS 68 -1.504 6.486 0.769 555 HE2 LYS 68 2HE LYS 68 -0.780 7.604 -1.299 556 HE3 LYS 68 1HE LYS 68 -2.188 6.579 -1.560 557 HZ1 LYS 68 3HZ LYS 68 -3.592 8.506 -1.588 558 HZ2 LYS 68 1HZ LYS 68 -2.326 8.750 -2.683 559 HZ3 LYS 68 2HZ LYS 68 -2.302 9.522 -1.180 560 H GLU 69 H GLU 69 -3.394 6.090 4.799 561 HA GLU 69 HA GLU 69 -4.589 5.572 6.658 562 HB2 GLU 69 2HB GLU 69 -3.655 8.340 7.436 563 HB3 GLU 69 1HB GLU 69 -4.338 7.169 8.556 564 HG2 GLU 69 2HG GLU 69 -1.763 6.947 7.015 565 HG3 GLU 69 1HG GLU 69 -1.964 7.105 8.759 566 H PHE 70 H PHE 70 -6.425 6.073 4.848 567 HA PHE 70 HA PHE 70 -8.317 8.073 5.654 568 HB2 PHE 70 2HB PHE 70 -8.677 5.658 3.857 569 HB3 PHE 70 1HB PHE 70 -9.857 6.948 4.063 570 HD1 PHE 70 HD1 PHE 70 -8.538 9.402 3.835 571 HD2 PHE 70 HD2 PHE 70 -7.607 5.763 1.820 572 HE1 PHE 70 HE1 PHE 70 -7.483 10.679 2.014 573 HE2 PHE 70 HE2 PHE 70 -6.551 7.036 0.002 574 HZ PHE 70 HZ PHE 70 -6.487 9.496 0.096 575 H ASP 71 H ASP 71 -10.667 7.328 6.132 576 HA ASP 71 HA ASP 71 -10.617 5.944 8.625 577 HB2 ASP 71 2HB ASP 71 -12.917 6.974 6.953 578 HB3 ASP 71 1HB ASP 71 -13.118 6.254 8.547 579 H TYR 72 H TYR 72 -11.633 4.024 9.230 580 HA TYR 72 HA TYR 72 -11.515 1.803 7.552 581 HB2 TYR 72 2HB TYR 72 -11.507 1.534 9.952 582 HB3 TYR 72 1HB TYR 72 -13.097 2.270 10.097 583 HD1 TYR 72 HD2 TYR 72 -11.348 -0.709 8.679 584 HD2 TYR 72 HD1 TYR 72 -15.023 0.924 10.089 585 HE1 TYR 72 HE2 TYR 72 -12.387 -2.933 8.538 586 HE2 TYR 72 HE1 TYR 72 -16.069 -1.295 9.946 587 HH TYR 72 HH TYR 72 -14.327 -4.145 9.586 588 H ASN 73 H ASN 73 -12.738 1.201 5.902 589 HA ASN 73 HA ASN 73 -14.482 0.798 4.533 590 HB2 ASN 73 2HB ASN 73 -16.031 1.563 6.994 591 HB3 ASN 73 1HB ASN 73 -16.856 1.252 5.468 592 HD21 ASN 73 1HD2 ASN 73 -13.935 -0.447 6.296 593 HD22 ASN 73 2HD2 ASN 73 -14.680 -1.977 6.576 594 H ALA 74 H ALA 74 -13.126 3.450 4.695 595 HA ALA 74 HA ALA 74 -15.074 5.213 3.457 596 HB1 ALA 74 3HB ALA 74 -13.188 6.154 4.703 597 HB2 ALA 74 1HB ALA 74 -13.150 6.672 3.016 598 HB3 ALA 74 2HB ALA 74 -12.057 5.406 3.576 599 H ARG 75 H ARG 75 -15.246 5.667 1.225 600 HA ARG 75 HA ARG 75 -14.586 3.496 -0.537 601 HB2 ARG 75 2HB ARG 75 -15.743 6.225 -1.148 602 HB3 ARG 75 1HB ARG 75 -15.643 4.890 -2.292 603 HG2 ARG 75 2HG ARG 75 -17.158 3.571 -0.931 604 HG3 ARG 75 1HG ARG 75 -17.208 4.844 0.290 605 HD2 ARG 75 2HD ARG 75 -18.154 6.380 -1.417 606 HD3 ARG 75 1HD ARG 75 -18.192 5.037 -2.560 607 HE ARG 75 HE ARG 75 -20.096 4.299 -1.555 608 HH11 ARG 75 1HH1 ARG 75 -18.494 6.400 0.667 609 HH12 ARG 75 2HH1 ARG 75 -19.832 6.428 1.762 610 HH21 ARG 75 1HH2 ARG 75 -21.801 4.363 -0.158 611 HH22 ARG 75 2HH2 ARG 75 -21.687 5.288 1.296 612 H VAL 76 H VAL 76 -12.630 3.199 -1.413 613 HA VAL 76 HA VAL 76 -11.067 5.553 -2.286 614 HB VAL 76 HB VAL 76 -8.989 4.322 -1.774 615 HG11 VAL 76 1HG1 VAL 76 -9.090 4.524 0.675 616 HG12 VAL 76 2HG1 VAL 76 -10.848 4.639 0.585 617 HG13 VAL 76 3HG1 VAL 76 -9.842 5.896 -0.137 618 HG21 VAL 76 3HG2 VAL 76 -9.080 2.306 -0.342 619 HG22 VAL 76 1HG2 VAL 76 -9.788 2.036 -1.935 620 HG23 VAL 76 2HG2 VAL 76 -10.833 2.271 -0.534 621 H GLU 77 H GLU 77 -9.917 5.365 -4.226 622 HA GLU 77 HA GLU 77 -10.270 2.868 -5.757 623 HB2 GLU 77 2HB GLU 77 -10.635 4.177 -7.810 624 HB3 GLU 77 1HB GLU 77 -11.875 4.501 -6.611 625 HG2 GLU 77 2HG GLU 77 -10.818 6.604 -6.034 626 HG3 GLU 77 1HG GLU 77 -9.500 6.272 -7.155 627 H LEU 78 H LEU 78 -8.618 2.418 -7.321 628 HA LEU 78 HA LEU 78 -6.033 3.476 -6.408 629 HB2 LEU 78 2HB LEU 78 -6.736 0.887 -7.795 630 HB3 LEU 78 1HB LEU 78 -5.106 1.367 -7.361 631 HG LEU 78 HG LEU 78 -7.362 0.872 -5.406 632 HD11 LEU 78 1HD1 LEU 78 -4.920 -0.788 -6.045 633 HD12 LEU 78 2HD1 LEU 78 -6.587 -1.188 -6.461 634 HD13 LEU 78 3HD1 LEU 78 -6.093 -1.121 -4.770 635 HD21 LEU 78 3HD2 LEU 78 -5.570 1.034 -3.706 636 HD22 LEU 78 1HD2 LEU 78 -5.849 2.555 -4.556 637 HD23 LEU 78 2HD2 LEU 78 -4.452 1.558 -4.966 638 H ILE 79 H ILE 79 -4.605 4.425 -7.735 639 HA ILE 79 HA ILE 79 -5.301 4.961 -10.497 640 HB ILE 79 HB ILE 79 -2.817 5.713 -8.933 641 HG12 ILE 79 2HG1 ILE 79 -4.844 6.713 -7.980 642 HG13 ILE 79 1HG1 ILE 79 -3.850 7.943 -8.749 643 HG21 ILE 79 1HG2 ILE 79 -2.357 5.735 -11.310 644 HG22 ILE 79 2HG2 ILE 79 -2.471 7.395 -10.721 645 HG23 ILE 79 3HG2 ILE 79 -3.812 6.682 -11.617 646 HD11 ILE 79 3HD1 ILE 79 -6.193 8.311 -9.212 647 HD12 ILE 79 1HD1 ILE 79 -6.337 6.693 -9.898 648 HD13 ILE 79 2HD1 ILE 79 -5.335 7.904 -10.698 649 H ASN 80 H ASN 80 -5.014 3.315 -11.891 650 HA ASN 80 HA ASN 80 -4.064 1.674 -13.139 651 HB2 ASN 80 2HB ASN 80 -1.564 3.024 -12.121 652 HB3 ASN 80 1HB ASN 80 -1.488 1.629 -13.191 653 HD21 ASN 80 1HD2 ASN 80 -4.071 3.946 -13.470 654 HD22 ASN 80 2HD2 ASN 80 -3.539 4.629 -14.958 655 HA PRO 81 HA PRO 81 -3.434 -1.104 -9.437 656 HB2 PRO 81 2HB PRO 81 -5.841 -2.292 -9.359 657 HB3 PRO 81 1HB PRO 81 -5.567 -0.711 -8.618 658 HG2 PRO 81 2HG PRO 81 -6.839 -1.374 -11.248 659 HG3 PRO 81 1HG PRO 81 -7.337 -0.181 -10.033 660 HD2 PRO 81 2HD PRO 81 -5.906 0.426 -12.314 661 HD3 PRO 81 1HD PRO 81 -5.894 1.408 -10.835 662 H ILE 82 H ILE 82 -2.357 -2.933 -9.914 663 HA ILE 82 HA ILE 82 -3.449 -4.753 -11.960 664 HB ILE 82 HB ILE 82 -1.147 -5.305 -12.712 665 HG12 ILE 82 2HG1 ILE 82 -0.325 -2.842 -11.135 666 HG13 ILE 82 1HG1 ILE 82 0.058 -4.500 -10.690 667 HG21 ILE 82 1HG2 ILE 82 -2.524 -3.782 -14.019 668 HG22 ILE 82 2HG2 ILE 82 -0.824 -3.321 -14.112 669 HG23 ILE 82 3HG2 ILE 82 -1.928 -2.410 -13.081 670 HD11 ILE 82 3HD1 ILE 82 1.942 -3.370 -11.742 671 HD12 ILE 82 1HD1 ILE 82 0.981 -3.110 -13.198 672 HD13 ILE 82 2HD1 ILE 82 1.399 -4.749 -12.697 673 H ALA 83 H ALA 83 -3.724 -6.765 -11.192 674 HA ALA 83 HA ALA 83 -2.605 -7.630 -8.694 675 HB1 ALA 83 3HB ALA 83 -4.021 -9.249 -10.822 676 HB2 ALA 83 1HB ALA 83 -4.793 -8.437 -9.458 677 HB3 ALA 83 2HB ALA 83 -3.678 -9.775 -9.174 678 H ASP 84 H ASP 84 -0.419 -7.862 -8.637 679 HA ASP 84 HA ASP 84 1.090 -8.399 -10.986 680 HB2 ASP 84 2HB ASP 84 1.810 -6.989 -9.005 681 HB3 ASP 84 1HB ASP 84 2.135 -8.497 -8.154 682 H THR 85 H THR 85 2.736 -10.106 -11.174 683 HA THR 85 HA THR 85 1.876 -12.696 -10.054 684 HB THR 85 HB THR 85 2.364 -12.210 -13.015 685 HG1 THR 85 HG1 THR 85 0.187 -11.724 -11.601 686 HG21 THR 85 3HG2 THR 85 2.976 -14.480 -12.326 687 HG22 THR 85 1HG2 THR 85 1.513 -14.497 -13.311 688 HG23 THR 85 2HG2 THR 85 1.399 -14.683 -11.562 689 H VAL 86 H VAL 86 4.411 -10.598 -10.784 690 HA VAL 86 HA VAL 86 6.394 -12.788 -10.942 691 HB VAL 86 HB VAL 86 7.894 -11.243 -12.120 692 HG11 VAL 86 1HG1 VAL 86 5.177 -11.505 -13.417 693 HG12 VAL 86 2HG1 VAL 86 6.466 -12.710 -13.433 694 HG13 VAL 86 3HG1 VAL 86 6.690 -11.169 -14.261 695 HG21 VAL 86 3HG2 VAL 86 5.561 -9.316 -12.088 696 HG22 VAL 86 1HG2 VAL 86 7.076 -9.090 -12.963 697 HG23 VAL 86 2HG2 VAL 86 7.073 -9.128 -11.200 698 H ALA 87 H ALA 87 5.202 -10.647 -8.782 699 HA ALA 87 HA ALA 87 7.459 -9.351 -7.708 700 HB1 ALA 87 3HB ALA 87 5.145 -8.701 -7.182 701 HB2 ALA 87 1HB ALA 87 6.104 -8.960 -5.726 702 HB3 ALA 87 2HB ALA 87 4.947 -10.184 -6.249 703 H THR 88 H THR 88 9.072 -11.063 -7.794 704 HA THR 88 HA THR 88 8.965 -13.461 -6.352 705 HB THR 88 HB THR 88 11.441 -13.487 -6.466 706 HG1 THR 88 HG1 THR 88 12.239 -11.552 -7.819 707 HG21 THR 88 3HG2 THR 88 10.104 -12.565 -9.020 708 HG22 THR 88 1HG2 THR 88 10.138 -14.220 -8.410 709 HG23 THR 88 2HG2 THR 88 11.634 -13.435 -8.916 710 H ALA 89 H ALA 89 9.591 -10.219 -5.259 711 HA ALA 89 HA ALA 89 10.967 -10.626 -2.887 712 HB1 ALA 89 3HB ALA 89 8.768 -8.615 -3.358 713 HB2 ALA 89 1HB ALA 89 10.454 -8.419 -3.830 714 HB3 ALA 89 2HB ALA 89 10.024 -8.523 -2.122 715 H THR 90 H THR 90 7.520 -11.160 -3.518 716 HA THR 90 HA THR 90 7.049 -11.766 -0.686 717 HB THR 90 HB THR 90 5.330 -10.433 -1.834 718 HG1 THR 90 HG1 THR 90 3.950 -12.811 -1.398 719 HG21 THR 90 3HG2 THR 90 4.885 -12.903 -3.524 720 HG22 THR 90 1HG2 THR 90 5.489 -11.346 -4.091 721 HG23 THR 90 2HG2 THR 90 3.836 -11.485 -3.491 722 H TYR 91 H TYR 91 7.031 -13.418 -3.831 723 HA TYR 91 HA TYR 91 6.091 -15.911 -2.873 724 HB2 TYR 91 2HB TYR 91 7.750 -15.283 -5.327 725 HB3 TYR 91 1HB TYR 91 6.951 -16.822 -5.021 726 HD1 TYR 91 HD1 TYR 91 4.323 -16.340 -4.227 727 HD2 TYR 91 HD2 TYR 91 6.646 -13.999 -6.924 728 HE1 TYR 91 HE1 TYR 91 2.262 -15.504 -5.271 729 HE2 TYR 91 HE2 TYR 91 4.587 -13.157 -7.973 730 HH TYR 91 HH TYR 91 1.513 -13.568 -6.580 731 H GLN 92 H GLN 92 9.317 -14.518 -3.056 732 HA GLN 92 HA GLN 92 10.829 -16.821 -2.469 733 HB2 GLN 92 2HB GLN 92 11.826 -14.700 -3.233 734 HB3 GLN 92 1HB GLN 92 11.382 -13.939 -1.713 735 HG2 GLN 92 2HG GLN 92 13.726 -14.491 -1.699 736 HG3 GLN 92 1HG GLN 92 12.878 -15.482 -0.518 737 HE21 GLN 92 1HE2 GLN 92 12.686 -17.704 -0.890 738 HE22 GLN 92 2HE2 GLN 92 13.632 -18.521 -2.081 739 H GLY 93 H GLY 93 8.829 -14.789 -0.481 740 HA2 GLY 93 2HA GLY 93 9.784 -16.055 1.996 741 HA3 GLY 93 1HA GLY 93 8.705 -14.673 1.890 742 H ALA 94 H ALA 94 7.891 -17.178 -0.259 743 HA ALA 94 HA ALA 94 6.188 -18.675 -0.387 744 HB1 ALA 94 3HB ALA 94 6.551 -18.938 2.598 745 HB2 ALA 94 1HB ALA 94 7.479 -19.806 1.376 746 HB3 ALA 94 2HB ALA 94 5.748 -20.091 1.534 747 H ASP 95 H ASP 95 5.595 -15.785 0.210 748 HA ASP 95 HA ASP 95 2.979 -16.027 1.529 749 HB2 ASP 95 2HB ASP 95 4.662 -14.180 2.107 750 HB3 ASP 95 1HB ASP 95 4.262 -13.471 0.544 751 H VAL 96 H VAL 96 1.235 -16.381 0.306 752 HA VAL 96 HA VAL 96 1.514 -16.044 -2.612 753 HB VAL 96 HB VAL 96 -0.409 -17.881 -1.169 754 HG11 VAL 96 1HG1 VAL 96 -1.054 -17.387 -3.462 755 HG12 VAL 96 2HG1 VAL 96 -0.494 -19.054 -3.338 756 HG13 VAL 96 3HG1 VAL 96 0.558 -17.821 -4.035 757 HG21 VAL 96 3HG2 VAL 96 1.180 -19.696 -1.649 758 HG22 VAL 96 1HG2 VAL 96 1.875 -18.492 -0.565 759 HG23 VAL 96 2HG2 VAL 96 2.336 -18.517 -2.267 760 H ASP 97 H ASP 97 -0.124 -14.606 -0.047 761 HA ASP 97 HA ASP 97 -2.691 -14.166 -1.142 762 HB2 ASP 97 2HB ASP 97 -1.094 -12.503 0.827 763 HB3 ASP 97 1HB ASP 97 -2.791 -12.222 0.439 764 H TRP 98 H TRP 98 -3.334 -12.946 -2.805 765 HA TRP 98 HA TRP 98 -1.440 -11.912 -4.562 766 HB2 TRP 98 2HB TRP 98 -3.320 -11.133 -5.935 767 HB3 TRP 98 1HB TRP 98 -3.511 -12.791 -5.391 768 HD1 TRP 98 HD1 TRP 98 -4.844 -12.139 -2.505 769 HE1 TRP 98 HE1 TRP 98 -7.279 -11.310 -2.452 770 HE3 TRP 98 HE3 TRP 98 -5.204 -10.381 -7.287 771 HZ2 TRP 98 HZ2 TRP 98 -9.113 -10.085 -4.204 772 HZ3 TRP 98 HZ3 TRP 98 -7.329 -9.388 -8.022 773 HH2 TRP 98 HH2 TRP 98 -9.249 -9.250 -6.513 774 H TYR 99 H TYR 99 -0.385 -10.135 -4.705 775 HA TYR 99 HA TYR 99 -1.225 -7.730 -3.268 776 HB2 TYR 99 2HB TYR 99 1.392 -8.492 -4.584 777 HB3 TYR 99 1HB TYR 99 1.084 -6.901 -3.897 778 HD1 TYR 99 HD1 TYR 99 1.346 -10.507 -3.064 779 HD2 TYR 99 HD2 TYR 99 1.312 -6.520 -1.570 780 HE1 TYR 99 HE1 TYR 99 2.048 -11.331 -0.860 781 HE2 TYR 99 HE2 TYR 99 2.022 -7.338 0.640 782 HH TYR 99 HH TYR 99 2.823 -10.747 1.156 783 H ILE 100 H ILE 100 -2.363 -6.264 -4.331 784 HA ILE 100 HA ILE 100 -2.162 -6.073 -7.252 785 HB ILE 100 HB ILE 100 -4.116 -4.649 -5.416 786 HG12 ILE 100 2HG1 ILE 100 -4.430 -7.239 -6.971 787 HG13 ILE 100 1HG1 ILE 100 -4.404 -7.071 -5.219 788 HG21 ILE 100 1HG2 ILE 100 -3.814 -3.579 -7.608 789 HG22 ILE 100 2HG2 ILE 100 -5.420 -4.293 -7.458 790 HG23 ILE 100 3HG2 ILE 100 -4.178 -5.113 -8.404 791 HD11 ILE 100 3HD1 ILE 100 -6.655 -7.386 -5.964 792 HD12 ILE 100 1HD1 ILE 100 -6.518 -6.036 -7.091 793 HD13 ILE 100 2HD1 ILE 100 -6.475 -5.743 -5.352 794 H LYS 101 H LYS 101 -0.526 -4.809 -7.889 795 HA LYS 101 HA LYS 101 0.488 -2.654 -6.263 796 HB2 LYS 101 2HB LYS 101 1.253 -3.523 -9.064 797 HB3 LYS 101 1HB LYS 101 2.144 -2.375 -8.071 798 HG2 LYS 101 2HG LYS 101 2.664 -4.103 -6.462 799 HG3 LYS 101 1HG LYS 101 1.663 -5.263 -7.337 800 HD2 LYS 101 2HD LYS 101 3.971 -5.671 -7.883 801 HD3 LYS 101 1HD LYS 101 3.164 -5.007 -9.304 802 HE2 LYS 101 2HE LYS 101 5.322 -3.971 -9.080 803 HE3 LYS 101 1HE LYS 101 4.086 -2.769 -8.712 804 HZ1 LYS 101 3HZ LYS 101 4.507 -3.019 -6.391 805 HZ2 LYS 101 1HZ LYS 101 5.994 -2.773 -7.155 806 HZ3 LYS 101 2HZ LYS 101 5.547 -4.324 -6.649 807 H ALA 102 H ALA 102 0.211 -0.501 -6.529 808 HA ALA 102 HA ALA 102 -1.180 0.507 -8.914 809 HB1 ALA 102 3HB ALA 102 -2.699 1.863 -7.546 810 HB2 ALA 102 1HB ALA 102 -2.046 1.127 -6.084 811 HB3 ALA 102 2HB ALA 102 -2.932 0.140 -7.248 812 H ASP 103 H ASP 103 -0.891 2.816 -9.246 813 HA ASP 103 HA ASP 103 1.730 3.676 -8.396 814 HB2 ASP 103 2HB ASP 103 0.802 3.960 -10.732 815 HB3 ASP 103 1HB ASP 103 -0.246 5.218 -10.085 816 H ASP 104 H ASP 104 -1.546 4.331 -7.457 817 HA ASP 104 HA ASP 104 -0.735 5.716 -5.122 818 HB2 ASP 104 2HB ASP 104 -0.407 7.601 -6.637 819 HB3 ASP 104 1HB ASP 104 -2.035 7.408 -7.280 820 H ILE 105 H ILE 105 -2.535 6.366 -3.747 821 HA ILE 105 HA ILE 105 -5.051 4.927 -4.362 822 HB ILE 105 HB ILE 105 -3.859 5.341 -1.606 823 HG12 ILE 105 2HG1 ILE 105 -3.874 2.849 -3.336 824 HG13 ILE 105 1HG1 ILE 105 -2.458 3.798 -2.905 825 HG21 ILE 105 1HG2 ILE 105 -6.204 3.670 -2.530 826 HG22 ILE 105 2HG2 ILE 105 -6.292 5.165 -1.599 827 HG23 ILE 105 3HG2 ILE 105 -5.570 3.724 -0.884 828 HD11 ILE 105 3HD1 ILE 105 -2.770 3.198 -0.560 829 HD12 ILE 105 1HD1 ILE 105 -2.598 1.772 -1.583 830 HD13 ILE 105 2HD1 ILE 105 -4.191 2.247 -0.994 831 H VAL 106 H VAL 106 -6.544 6.457 -4.833 832 HA VAL 106 HA VAL 106 -6.731 8.842 -3.088 833 HB VAL 106 HB VAL 106 -7.975 9.946 -4.918 834 HG11 VAL 106 1HG1 VAL 106 -5.571 10.307 -4.721 835 HG12 VAL 106 2HG1 VAL 106 -6.070 10.329 -6.412 836 HG13 VAL 106 3HG1 VAL 106 -5.263 8.907 -5.749 837 HG21 VAL 106 3HG2 VAL 106 -7.996 8.967 -7.167 838 HG22 VAL 106 1HG2 VAL 106 -8.883 7.965 -6.019 839 HG23 VAL 106 2HG2 VAL 106 -7.263 7.492 -6.534 840 H LEU 107 H LEU 107 -9.166 9.731 -3.237 841 HA LEU 107 HA LEU 107 -10.817 7.584 -2.151 842 HB2 LEU 107 2HB LEU 107 -11.241 10.572 -2.319 843 HB3 LEU 107 1HB LEU 107 -12.393 9.461 -1.602 844 HG LEU 107 HG LEU 107 -9.568 9.892 -0.603 845 HD11 LEU 107 1HD1 LEU 107 -12.198 10.907 0.486 846 HD12 LEU 107 2HD1 LEU 107 -10.922 11.882 -0.245 847 HD13 LEU 107 3HD1 LEU 107 -10.630 11.053 1.284 848 HD21 LEU 107 3HD2 LEU 107 -10.327 8.602 1.345 849 HD22 LEU 107 1HD2 LEU 107 -10.403 7.653 -0.139 850 HD23 LEU 107 2HD2 LEU 107 -11.880 8.325 0.554 851 H THR 108 H THR 108 -12.919 7.078 -2.896 852 HA THR 108 HA THR 108 -13.346 7.477 -5.753 853 HB THR 108 HB THR 108 -15.147 5.965 -3.834 854 HG1 THR 108 HG1 THR 108 -12.779 5.171 -5.186 855 HG21 THR 108 3HG2 THR 108 -16.128 6.489 -6.033 856 HG22 THR 108 1HG2 THR 108 -15.836 4.757 -5.859 857 HG23 THR 108 2HG2 THR 108 -14.740 5.742 -6.827 858 H LEU 109 H LEU 109 -14.880 8.790 -6.648 859 HA LEU 109 HA LEU 109 -16.465 10.404 -6.873 860 HB2 LEU 109 2HB LEU 109 -17.454 9.446 -4.180 861 HB3 LEU 109 1HB LEU 109 -18.344 10.470 -5.292 862 HG LEU 109 HG LEU 109 -17.520 7.610 -5.824 863 HD11 LEU 109 1HD1 LEU 109 -19.255 7.723 -4.138 864 HD12 LEU 109 2HD1 LEU 109 -19.924 7.122 -5.654 865 HD13 LEU 109 3HD1 LEU 109 -20.219 8.789 -5.161 866 HD21 LEU 109 3HD2 LEU 109 -17.599 8.930 -7.875 867 HD22 LEU 109 1HD2 LEU 109 -19.222 9.491 -7.467 868 HD23 LEU 109 2HD2 LEU 109 -18.938 7.784 -7.814 869 H GLU 110 H GLU 110 -13.905 10.869 -5.272 870 HA GLU 110 HA GLU 110 -14.437 12.859 -3.323 871 HB2 GLU 110 2HB GLU 110 -12.005 13.452 -3.597 872 HB3 GLU 110 1HB GLU 110 -12.332 11.773 -3.198 873 HG2 GLU 110 2HG GLU 110 -11.838 11.048 -5.396 874 HG3 GLU 110 1HG GLU 110 -11.854 12.696 -6.020 Start of MODEL 12 1 H1 MET 1 1H MET 1 -31.680 -20.540 -20.847 2 H2 MET 1 2H MET 1 -32.967 -21.630 -20.773 3 H3 MET 1 3H MET 1 -31.659 -21.935 -21.801 4 HA MET 1 HA MET 1 -30.180 -22.208 -19.945 5 HB2 MET 1 2HB MET 1 -31.281 -20.620 -18.431 6 HB3 MET 1 1HB MET 1 -32.658 -21.699 -18.274 7 HG2 MET 1 2HG MET 1 -31.166 -23.392 -17.252 8 HG3 MET 1 1HG MET 1 -29.848 -22.221 -17.325 9 HE1 MET 1 3HE MET 1 -29.867 -19.898 -16.003 10 HE2 MET 1 1HE MET 1 -31.180 -19.394 -14.937 11 HE3 MET 1 2HE MET 1 -31.448 -19.500 -16.675 12 H MET 2 H MET 2 -29.863 -24.285 -20.540 13 HA MET 2 HA MET 2 -31.845 -26.283 -19.634 14 HB2 MET 2 2HB MET 2 -30.282 -26.381 -22.232 15 HB3 MET 2 1HB MET 2 -31.333 -27.652 -21.628 16 HG2 MET 2 2HG MET 2 -33.249 -26.125 -21.790 17 HG3 MET 2 1HG MET 2 -32.183 -24.878 -22.434 18 HE1 MET 2 3HE MET 2 -34.854 -25.845 -23.887 19 HE2 MET 2 1HE MET 2 -34.302 -25.939 -25.561 20 HE3 MET 2 2HE MET 2 -33.791 -24.596 -24.538 21 H ARG 3 H ARG 3 -30.996 -27.982 -18.496 22 HA ARG 3 HA ARG 3 -28.336 -27.995 -17.598 23 HB2 ARG 3 2HB ARG 3 -30.252 -30.336 -17.710 24 HB3 ARG 3 1HB ARG 3 -28.777 -30.270 -16.754 25 HG2 ARG 3 2HG ARG 3 -29.746 -28.327 -15.523 26 HG3 ARG 3 1HG ARG 3 -31.253 -28.588 -16.405 27 HD2 ARG 3 2HD ARG 3 -29.898 -30.513 -14.507 28 HD3 ARG 3 1HD ARG 3 -31.413 -29.651 -14.242 29 HE ARG 3 HE ARG 3 -31.604 -31.228 -16.576 30 HH11 ARG 3 1HH1 ARG 3 -31.484 -31.555 -13.152 31 HH12 ARG 3 2HH1 ARG 3 -32.398 -33.019 -13.155 32 HH21 ARG 3 1HH2 ARG 3 -32.751 -33.116 -16.570 33 HH22 ARG 3 2HH2 ARG 3 -33.127 -33.887 -15.068 34 H LEU 4 H LEU 4 -29.620 -29.021 -20.566 35 HA LEU 4 HA LEU 4 -27.644 -30.919 -21.325 36 HB2 LEU 4 2HB LEU 4 -29.418 -29.133 -23.009 37 HB3 LEU 4 1HB LEU 4 -28.386 -30.388 -23.663 38 HG LEU 4 HG LEU 4 -30.572 -31.288 -23.604 39 HD11 LEU 4 1HD1 LEU 4 -29.106 -32.348 -21.192 40 HD12 LEU 4 2HD1 LEU 4 -28.819 -32.818 -22.866 41 HD13 LEU 4 3HD1 LEU 4 -30.366 -33.186 -22.102 42 HD21 LEU 4 3HD2 LEU 4 -30.768 -30.440 -20.710 43 HD22 LEU 4 1HD2 LEU 4 -31.984 -31.343 -21.614 44 HD23 LEU 4 2HD2 LEU 4 -31.598 -29.684 -22.073 45 H ALA 5 H ALA 5 -25.552 -30.498 -21.526 46 HA ALA 5 HA ALA 5 -23.587 -29.589 -22.214 47 HB1 ALA 5 3HB ALA 5 -25.210 -27.448 -23.582 48 HB2 ALA 5 1HB ALA 5 -24.757 -28.994 -24.297 49 HB3 ALA 5 2HB ALA 5 -23.511 -27.826 -23.861 50 H ASN 6 H ASN 6 -25.906 -27.174 -20.979 51 HA ASN 6 HA ASN 6 -23.857 -25.465 -19.918 52 HB2 ASN 6 2HB ASN 6 -26.814 -25.535 -19.275 53 HB3 ASN 6 1HB ASN 6 -25.698 -24.237 -18.860 54 HD21 ASN 6 1HD2 ASN 6 -24.268 -24.322 -21.376 55 HD22 ASN 6 2HD2 ASN 6 -25.330 -23.636 -22.551 56 H GLY 7 H GLY 7 -22.576 -26.770 -18.578 57 HA2 GLY 7 2HA GLY 7 -23.803 -27.371 -15.946 58 HA3 GLY 7 1HA GLY 7 -22.632 -28.448 -16.689 59 H ILE 8 H ILE 8 -20.591 -27.015 -17.473 60 HA ILE 8 HA ILE 8 -19.205 -26.175 -15.191 61 HB ILE 8 HB ILE 8 -17.516 -25.248 -16.734 62 HG12 ILE 8 2HG1 ILE 8 -19.503 -25.944 -18.924 63 HG13 ILE 8 1HG1 ILE 8 -19.088 -24.310 -18.418 64 HG21 ILE 8 1HG2 ILE 8 -16.988 -27.348 -17.896 65 HG22 ILE 8 2HG2 ILE 8 -18.622 -27.931 -17.573 66 HG23 ILE 8 3HG2 ILE 8 -17.511 -27.629 -16.236 67 HD11 ILE 8 3HD1 ILE 8 -17.922 -24.880 -20.445 68 HD12 ILE 8 1HD1 ILE 8 -17.235 -26.314 -19.685 69 HD13 ILE 8 2HD1 ILE 8 -16.767 -24.708 -19.124 70 H VAL 9 H VAL 9 -18.557 -24.109 -14.440 71 HA VAL 9 HA VAL 9 -20.530 -22.056 -14.633 72 HB VAL 9 HB VAL 9 -17.753 -21.927 -13.432 73 HG11 VAL 9 1HG1 VAL 9 -18.621 -19.693 -13.912 74 HG12 VAL 9 2HG1 VAL 9 -18.583 -19.989 -12.176 75 HG13 VAL 9 3HG1 VAL 9 -20.112 -20.071 -13.051 76 HG21 VAL 9 3HG2 VAL 9 -18.885 -22.296 -11.293 77 HG22 VAL 9 1HG2 VAL 9 -19.155 -23.644 -12.397 78 HG23 VAL 9 2HG2 VAL 9 -20.429 -22.453 -12.131 79 H LEU 10 H LEU 10 -20.635 -20.300 -15.912 80 HA LEU 10 HA LEU 10 -18.743 -20.106 -18.109 81 HB2 LEU 10 2HB LEU 10 -21.291 -18.564 -17.583 82 HB3 LEU 10 1HB LEU 10 -20.358 -18.525 -19.069 83 HG LEU 10 HG LEU 10 -21.807 -20.937 -17.956 84 HD11 LEU 10 1HD1 LEU 10 -22.424 -19.207 -20.354 85 HD12 LEU 10 2HD1 LEU 10 -23.333 -19.262 -18.843 86 HD13 LEU 10 3HD1 LEU 10 -23.280 -20.680 -19.890 87 HD21 LEU 10 3HD2 LEU 10 -21.212 -22.025 -20.077 88 HD22 LEU 10 1HD2 LEU 10 -19.784 -21.605 -19.131 89 HD23 LEU 10 2HD2 LEU 10 -20.241 -20.621 -20.522 90 H ASP 11 H ASP 11 -18.494 -17.657 -18.898 91 HA ASP 11 HA ASP 11 -16.578 -16.519 -17.152 92 HB2 ASP 11 2HB ASP 11 -16.410 -14.759 -18.866 93 HB3 ASP 11 1HB ASP 11 -16.436 -16.366 -19.593 94 H LYS 12 H LYS 12 -16.575 -14.108 -16.619 95 HA LYS 12 HA LYS 12 -18.957 -12.605 -16.447 96 HB2 LYS 12 2HB LYS 12 -19.403 -14.315 -14.644 97 HB3 LYS 12 1HB LYS 12 -18.023 -13.667 -13.770 98 HG2 LYS 12 2HG LYS 12 -20.080 -12.747 -12.891 99 HG3 LYS 12 1HG LYS 12 -19.127 -11.477 -13.658 100 HD2 LYS 12 2HD LYS 12 -21.371 -11.111 -14.341 101 HD3 LYS 12 1HD LYS 12 -20.549 -11.822 -15.729 102 HE2 LYS 12 2HE LYS 12 -22.242 -13.380 -13.767 103 HE3 LYS 12 1HE LYS 12 -22.836 -12.730 -15.291 104 HZ1 LYS 12 3HZ LYS 12 -22.269 -15.053 -15.507 105 HZ2 LYS 12 1HZ LYS 12 -20.686 -14.763 -14.992 106 HZ3 LYS 12 2HZ LYS 12 -21.224 -14.123 -16.461 107 H ASP 13 H ASP 13 -18.533 -10.457 -15.935 108 HA ASP 13 HA ASP 13 -15.849 -9.574 -16.053 109 HB2 ASP 13 2HB ASP 13 -18.337 -8.031 -15.277 110 HB3 ASP 13 1HB ASP 13 -16.788 -7.318 -15.721 111 H THR 14 H THR 14 -14.489 -10.017 -14.401 112 HA THR 14 HA THR 14 -15.280 -9.935 -11.639 113 HB THR 14 HB THR 14 -12.868 -10.245 -11.125 114 HG1 THR 14 HG1 THR 14 -12.025 -9.073 -12.943 115 HG21 THR 14 3HG2 THR 14 -13.862 -12.087 -13.311 116 HG22 THR 14 1HG2 THR 14 -14.302 -12.198 -11.605 117 HG23 THR 14 2HG2 THR 14 -12.633 -12.465 -12.106 118 H THR 15 H THR 15 -16.148 -7.802 -11.496 119 HA THR 15 HA THR 15 -14.241 -5.570 -11.640 120 HB THR 15 HB THR 15 -16.239 -4.111 -11.354 121 HG1 THR 15 HG1 THR 15 -18.056 -6.103 -11.902 122 HG21 THR 15 3HG2 THR 15 -17.245 -4.558 -13.558 123 HG22 THR 15 1HG2 THR 15 -16.465 -6.141 -13.586 124 HG23 THR 15 2HG2 THR 15 -15.484 -4.674 -13.611 125 H PHE 16 H PHE 16 -13.476 -4.539 -9.886 126 HA PHE 16 HA PHE 16 -13.766 -5.745 -7.315 127 HB2 PHE 16 2HB PHE 16 -12.423 -3.156 -8.140 128 HB3 PHE 16 1HB PHE 16 -12.294 -3.882 -6.542 129 HD1 PHE 16 HD2 PHE 16 -11.013 -5.941 -6.205 130 HD2 PHE 16 HD1 PHE 16 -11.210 -4.053 -10.022 131 HE1 PHE 16 HE2 PHE 16 -9.075 -7.258 -6.957 132 HE2 PHE 16 HE1 PHE 16 -9.270 -5.368 -10.771 133 HZ PHE 16 HZ PHE 16 -8.200 -6.969 -9.240 134 H GLY 17 H GLY 17 -14.780 -2.591 -8.625 135 HA2 GLY 17 2HA GLY 17 -16.615 -1.285 -8.005 136 HA3 GLY 17 1HA GLY 17 -16.941 -2.399 -6.684 137 H GLU 18 H GLU 18 -17.267 -0.416 -5.392 138 HA GLU 18 HA GLU 18 -15.114 1.323 -4.781 139 HB2 GLU 18 2HB GLU 18 -16.469 1.981 -2.812 140 HB3 GLU 18 1HB GLU 18 -17.398 1.984 -4.302 141 HG2 GLU 18 2HG GLU 18 -18.216 -0.317 -3.643 142 HG3 GLU 18 1HG GLU 18 -17.498 -0.024 -2.063 143 H LEU 19 H LEU 19 -13.232 0.613 -3.987 144 HA LEU 19 HA LEU 19 -13.012 -1.746 -2.375 145 HB2 LEU 19 2HB LEU 19 -10.978 0.400 -3.014 146 HB3 LEU 19 1HB LEU 19 -10.614 -1.101 -2.183 147 HG LEU 19 HG LEU 19 -11.633 -0.878 -5.024 148 HD11 LEU 19 1HD1 LEU 19 -8.886 -1.550 -3.967 149 HD12 LEU 19 2HD1 LEU 19 -9.348 -0.094 -4.850 150 HD13 LEU 19 3HD1 LEU 19 -9.391 -1.662 -5.653 151 HD21 LEU 19 3HD2 LEU 19 -12.406 -2.920 -3.966 152 HD22 LEU 19 1HD2 LEU 19 -10.767 -3.290 -3.426 153 HD23 LEU 19 2HD2 LEU 19 -11.151 -3.285 -5.147 154 H LYS 20 H LYS 20 -13.071 -1.927 -0.216 155 HA LYS 20 HA LYS 20 -13.486 0.548 1.319 156 HB2 LYS 20 2HB LYS 20 -14.252 -2.312 1.977 157 HB3 LYS 20 1HB LYS 20 -14.632 -0.901 2.963 158 HG2 LYS 20 2HG LYS 20 -16.025 0.015 1.229 159 HG3 LYS 20 1HG LYS 20 -15.545 -1.256 0.107 160 HD2 LYS 20 2HD LYS 20 -17.723 -1.792 0.895 161 HD3 LYS 20 1HD LYS 20 -16.608 -2.913 1.670 162 HE2 LYS 20 2HE LYS 20 -17.554 -0.382 3.004 163 HE3 LYS 20 1HE LYS 20 -18.437 -1.900 3.127 164 HZ1 LYS 20 3HZ LYS 20 -16.419 -2.906 4.076 165 HZ2 LYS 20 1HZ LYS 20 -17.021 -1.637 5.020 166 HZ3 LYS 20 2HZ LYS 20 -15.664 -1.397 4.044 167 H PHE 21 H PHE 21 -11.660 1.262 2.141 168 HA PHE 21 HA PHE 21 -9.351 -0.170 2.772 169 HB2 PHE 21 2HB PHE 21 -9.163 2.161 2.431 170 HB3 PHE 21 1HB PHE 21 -10.406 2.525 3.621 171 HD1 PHE 21 HD2 PHE 21 -6.994 1.026 3.357 172 HD2 PHE 21 HD1 PHE 21 -9.775 3.211 5.733 173 HE1 PHE 21 HE2 PHE 21 -5.265 1.381 5.065 174 HE2 PHE 21 HE1 PHE 21 -8.044 3.564 7.440 175 HZ PHE 21 HZ PHE 21 -5.788 2.648 7.108 176 H SER 22 H SER 22 -8.632 -1.277 4.524 177 HA SER 22 HA SER 22 -10.314 -1.214 6.959 178 HB2 SER 22 2HB SER 22 -8.512 -3.439 5.963 179 HB3 SER 22 1HB SER 22 -9.390 -3.460 7.493 180 HG SER 22 HG SER 22 -11.228 -3.795 6.457 181 H ALA 23 H ALA 23 -6.893 -1.880 6.126 182 HA ALA 23 HA ALA 23 -6.005 0.022 8.129 183 HB1 ALA 23 3HB ALA 23 -4.704 -1.589 9.420 184 HB2 ALA 23 1HB ALA 23 -5.340 -2.909 8.434 185 HB3 ALA 23 2HB ALA 23 -6.422 -1.982 9.475 186 H LEU 24 H LEU 24 -3.661 0.331 8.139 187 HA LEU 24 HA LEU 24 -2.418 0.006 5.572 188 HB2 LEU 24 2HB LEU 24 -1.957 1.946 7.019 189 HB3 LEU 24 1HB LEU 24 -1.256 0.887 8.225 190 HG LEU 24 HG LEU 24 0.565 0.305 6.678 191 HD11 LEU 24 1HD1 LEU 24 0.843 1.513 4.573 192 HD12 LEU 24 2HD1 LEU 24 -0.725 2.287 4.804 193 HD13 LEU 24 3HD1 LEU 24 -0.628 0.541 4.569 194 HD21 LEU 24 3HD2 LEU 24 0.889 2.174 8.199 195 HD22 LEU 24 1HD2 LEU 24 0.166 3.279 7.027 196 HD23 LEU 24 2HD2 LEU 24 1.699 2.486 6.665 197 H ARG 25 H ARG 25 -1.615 -1.894 4.898 198 HA ARG 25 HA ARG 25 -1.475 -4.142 6.591 199 HB2 ARG 25 2HB ARG 25 -1.893 -4.131 4.091 200 HB3 ARG 25 1HB ARG 25 -0.163 -3.907 3.882 201 HG2 ARG 25 2HG ARG 25 -0.730 -6.240 3.609 202 HG3 ARG 25 1HG ARG 25 0.242 -6.034 5.069 203 HD2 ARG 25 2HD ARG 25 -1.744 -6.154 6.452 204 HD3 ARG 25 1HD ARG 25 -2.770 -6.215 5.022 205 HE ARG 25 HE ARG 25 -0.822 -8.347 5.299 206 HH11 ARG 25 1HH1 ARG 25 -4.088 -7.312 5.551 207 HH12 ARG 25 2HH1 ARG 25 -4.695 -8.915 5.791 208 HH21 ARG 25 1HH2 ARG 25 -1.602 -10.401 5.563 209 HH22 ARG 25 2HH2 ARG 25 -3.296 -10.646 5.789 210 H ARG 26 H ARG 26 1.147 -2.242 5.073 211 HA ARG 26 HA ARG 26 2.909 -2.503 7.255 212 HB2 ARG 26 2HB ARG 26 3.055 -4.849 6.664 213 HB3 ARG 26 1HB ARG 26 3.378 -4.449 4.982 214 HG2 ARG 26 2HG ARG 26 5.520 -3.490 5.589 215 HG3 ARG 26 1HG ARG 26 5.199 -3.802 7.295 216 HD2 ARG 26 2HD ARG 26 5.090 -6.228 6.776 217 HD3 ARG 26 1HD ARG 26 5.543 -5.860 5.109 218 HE ARG 26 HE ARG 26 7.479 -4.705 6.713 219 HH11 ARG 26 1HH1 ARG 26 6.316 -7.883 6.072 220 HH12 ARG 26 2HH1 ARG 26 7.822 -8.626 6.483 221 HH21 ARG 26 1HH2 ARG 26 9.397 -5.679 7.220 222 HH22 ARG 26 2HH2 ARG 26 9.543 -7.400 7.100 223 H GLU 27 H GLU 27 4.755 -1.273 7.048 224 HA GLU 27 HA GLU 27 5.239 0.034 4.442 225 HB2 GLU 27 2HB GLU 27 6.252 0.806 7.194 226 HB3 GLU 27 1HB GLU 27 6.562 1.685 5.708 227 HG2 GLU 27 2HG GLU 27 4.178 2.194 5.509 228 HG3 GLU 27 1HG GLU 27 3.869 1.308 7.007 229 H VAL 28 H VAL 28 6.625 -1.366 3.339 230 HA VAL 28 HA VAL 28 8.910 -2.501 4.717 231 HB VAL 28 HB VAL 28 9.601 -3.363 2.495 232 HG11 VAL 28 1HG1 VAL 28 8.163 -4.703 3.927 233 HG12 VAL 28 2HG1 VAL 28 7.730 -4.948 2.235 234 HG13 VAL 28 3HG1 VAL 28 6.729 -3.919 3.260 235 HG21 VAL 28 3HG2 VAL 28 7.061 -2.059 1.501 236 HG22 VAL 28 1HG2 VAL 28 8.092 -3.151 0.577 237 HG23 VAL 28 2HG2 VAL 28 8.704 -1.577 1.082 238 H ARG 29 H ARG 29 10.644 -1.351 5.182 239 HA ARG 29 HA ARG 29 11.169 1.125 3.686 240 HB2 ARG 29 2HB ARG 29 12.358 0.359 6.355 241 HB3 ARG 29 1HB ARG 29 12.219 1.966 5.648 242 HG2 ARG 29 2HG ARG 29 9.734 1.772 5.861 243 HG3 ARG 29 1HG ARG 29 9.975 0.250 6.718 244 HD2 ARG 29 2HD ARG 29 11.407 1.551 8.360 245 HD3 ARG 29 1HD ARG 29 10.815 3.018 7.582 246 HE ARG 29 HE ARG 29 9.420 1.378 9.453 247 HH11 ARG 29 1HH1 ARG 29 8.935 3.477 6.762 248 HH12 ARG 29 2HH1 ARG 29 7.312 3.865 7.219 249 HH21 ARG 29 1HH2 ARG 29 7.375 1.930 10.059 250 HH22 ARG 29 2HH2 ARG 29 6.438 3.009 9.077 251 H ILE 30 H ILE 30 13.464 1.721 3.284 252 HA ILE 30 HA ILE 30 14.737 -0.403 1.884 253 HB ILE 30 HB ILE 30 15.773 2.374 2.499 254 HG12 ILE 30 2HG1 ILE 30 14.398 1.258 0.036 255 HG13 ILE 30 1HG1 ILE 30 13.663 2.344 1.213 256 HG21 ILE 30 1HG2 ILE 30 16.756 0.345 0.482 257 HG22 ILE 30 2HG2 ILE 30 17.606 0.854 1.941 258 HG23 ILE 30 3HG2 ILE 30 17.334 2.005 0.633 259 HD11 ILE 30 3HD1 ILE 30 14.328 3.538 -0.785 260 HD12 ILE 30 1HD1 ILE 30 15.991 2.987 -0.583 261 HD13 ILE 30 2HD1 ILE 30 15.272 4.080 0.602 262 H GLN 31 H GLN 31 15.734 -2.013 2.927 263 HA GLN 31 HA GLN 31 17.226 -1.525 5.381 264 HB2 GLN 31 2HB GLN 31 15.748 -3.502 5.164 265 HB3 GLN 31 1HB GLN 31 16.761 -4.101 3.859 266 HG2 GLN 31 2HG GLN 31 18.647 -4.302 5.409 267 HG3 GLN 31 1HG GLN 31 17.635 -3.689 6.718 268 HE21 GLN 31 1HE2 GLN 31 17.871 -5.579 7.926 269 HE22 GLN 31 2HE2 GLN 31 17.100 -7.058 7.480 270 H ASN 32 H ASN 32 19.320 -1.026 5.369 271 HA ASN 32 HA ASN 32 20.896 -0.957 3.008 272 HB2 ASN 32 2HB ASN 32 21.669 -0.658 5.922 273 HB3 ASN 32 1HB ASN 32 22.756 -0.341 4.571 274 HD21 ASN 32 1HD2 ASN 32 21.720 1.448 6.658 275 HD22 ASN 32 2HD2 ASN 32 20.965 2.748 5.813 276 H GLU 33 H GLU 33 22.906 -2.064 2.579 277 HA GLU 33 HA GLU 33 22.946 -4.840 2.935 278 HB2 GLU 33 2HB GLU 33 25.015 -2.822 2.129 279 HB3 GLU 33 1HB GLU 33 25.486 -4.497 2.371 280 HG2 GLU 33 2HG GLU 33 24.979 -3.889 0.009 281 HG3 GLU 33 1HG GLU 33 24.056 -5.251 0.637 282 H ASP 34 H ASP 34 23.864 -2.355 5.111 283 HA ASP 34 HA ASP 34 25.661 -3.843 6.761 284 HB2 ASP 34 2HB ASP 34 23.941 -1.462 7.508 285 HB3 ASP 34 1HB ASP 34 25.378 -2.027 8.357 286 H GLY 35 H GLY 35 22.399 -4.287 6.221 287 HA2 GLY 35 2HA GLY 35 21.111 -5.972 7.258 288 HA3 GLY 35 1HA GLY 35 22.115 -5.845 8.692 289 H SER 36 H SER 36 21.827 -2.871 8.698 290 HA SER 36 HA SER 36 19.399 -2.795 10.267 291 HB2 SER 36 2HB SER 36 21.339 -0.554 9.633 292 HB3 SER 36 1HB SER 36 20.080 -0.528 10.866 293 HG SER 36 HG SER 36 22.584 -1.590 10.966 294 H VAL 37 H VAL 37 17.676 -1.302 9.982 295 HA VAL 37 HA VAL 37 16.974 -0.858 7.200 296 HB VAL 37 HB VAL 37 15.388 -0.267 9.709 297 HG11 VAL 37 1HG1 VAL 37 14.625 1.077 7.825 298 HG12 VAL 37 2HG1 VAL 37 13.443 -0.176 8.200 299 HG13 VAL 37 3HG1 VAL 37 14.519 -0.366 6.815 300 HG21 VAL 37 3HG2 VAL 37 15.913 -2.643 9.460 301 HG22 VAL 37 1HG2 VAL 37 15.259 -2.624 7.820 302 HG23 VAL 37 2HG2 VAL 37 14.194 -2.344 9.199 303 H SER 38 H SER 38 16.875 1.052 6.158 304 HA SER 38 HA SER 38 18.239 3.313 7.360 305 HB2 SER 38 2HB SER 38 18.823 2.647 5.070 306 HB3 SER 38 1HB SER 38 17.165 2.923 4.549 307 HG SER 38 HG SER 38 18.907 4.653 4.289 308 H ASP 39 H ASP 39 17.430 5.534 6.936 309 HA ASP 39 HA ASP 39 14.831 5.948 8.011 310 HB2 ASP 39 2HB ASP 39 16.585 7.962 6.576 311 HB3 ASP 39 1HB ASP 39 15.301 8.309 7.734 312 H GLU 40 H GLU 40 16.080 5.652 4.798 313 HA GLU 40 HA GLU 40 13.864 6.861 3.435 314 HB2 GLU 40 2HB GLU 40 16.039 5.017 2.426 315 HB3 GLU 40 1HB GLU 40 14.895 5.880 1.405 316 HG2 GLU 40 2HG GLU 40 15.795 8.009 2.162 317 HG3 GLU 40 1HG GLU 40 16.908 7.173 3.243 318 H ILE 41 H ILE 41 11.993 5.961 2.791 319 HA ILE 41 HA ILE 41 11.475 3.154 3.469 320 HB ILE 41 HB ILE 41 9.516 5.302 2.605 321 HG12 ILE 41 2HG1 ILE 41 10.170 4.247 5.376 322 HG13 ILE 41 1HG1 ILE 41 10.599 5.838 4.753 323 HG21 ILE 41 1HG2 ILE 41 7.785 3.774 3.442 324 HG22 ILE 41 2HG2 ILE 41 9.022 2.569 3.808 325 HG23 ILE 41 3HG2 ILE 41 8.713 3.034 2.135 326 HD11 ILE 41 3HD1 ILE 41 7.807 4.809 5.212 327 HD12 ILE 41 1HD1 ILE 41 8.229 6.399 4.573 328 HD13 ILE 41 2HD1 ILE 41 8.681 5.960 6.222 329 H LYS 42 H LYS 42 10.563 1.678 1.961 330 HA LYS 42 HA LYS 42 11.442 2.177 -0.783 331 HB2 LYS 42 2HB LYS 42 12.084 0.118 0.569 332 HB3 LYS 42 1HB LYS 42 10.425 -0.425 0.354 333 HG2 LYS 42 2HG LYS 42 10.691 -0.739 -1.939 334 HG3 LYS 42 1HG LYS 42 12.115 0.308 -2.015 335 HD2 LYS 42 2HD LYS 42 13.374 -1.344 -0.689 336 HD3 LYS 42 1HD LYS 42 11.958 -2.392 -0.666 337 HE2 LYS 42 2HE LYS 42 12.062 -2.653 -3.072 338 HE3 LYS 42 1HE LYS 42 13.387 -1.491 -3.168 339 HZ1 LYS 42 3HZ LYS 42 14.187 -3.771 -3.280 340 HZ2 LYS 42 1HZ LYS 42 13.499 -4.110 -1.772 341 HZ3 LYS 42 2HZ LYS 42 14.767 -3.002 -1.892 342 H GLU 43 H GLU 43 8.552 0.712 0.763 343 HA GLU 43 HA GLU 43 6.770 2.308 -0.801 344 HB2 GLU 43 2HB GLU 43 5.674 0.473 -2.045 345 HB3 GLU 43 1HB GLU 43 7.343 0.716 -2.544 346 HG2 GLU 43 2HG GLU 43 7.969 -1.184 -1.031 347 HG3 GLU 43 1HG GLU 43 6.244 -1.487 -0.819 348 H ARG 44 H ARG 44 4.402 1.527 -0.452 349 HA ARG 44 HA ARG 44 4.140 0.543 2.323 350 HB2 ARG 44 2HB ARG 44 2.943 3.027 1.099 351 HB3 ARG 44 1HB ARG 44 2.302 2.302 2.570 352 HG2 ARG 44 2HG ARG 44 4.399 2.644 3.711 353 HG3 ARG 44 1HG ARG 44 5.151 3.232 2.227 354 HD2 ARG 44 2HD ARG 44 3.945 5.230 2.259 355 HD3 ARG 44 1HD ARG 44 2.720 4.587 3.355 356 HE ARG 44 HE ARG 44 4.600 4.569 5.050 357 HH11 ARG 44 1HH1 ARG 44 4.538 6.861 2.457 358 HH12 ARG 44 2HH1 ARG 44 5.377 8.058 3.379 359 HH21 ARG 44 1HH2 ARG 44 5.642 6.110 6.195 360 HH22 ARG 44 2HH2 ARG 44 5.978 7.649 5.472 361 H THR 45 H THR 45 2.700 -1.009 2.606 362 HA THR 45 HA THR 45 0.866 -1.694 0.412 363 HB THR 45 HB THR 45 1.678 -3.384 2.802 364 HG1 THR 45 HG1 THR 45 2.965 -2.818 0.434 365 HG21 THR 45 3HG2 THR 45 0.336 -4.142 0.190 366 HG22 THR 45 1HG2 THR 45 -0.457 -4.060 1.762 367 HG23 THR 45 2HG2 THR 45 0.806 -5.257 1.473 368 H TYR 46 H TYR 46 -1.309 -1.665 0.625 369 HA TYR 46 HA TYR 46 -2.486 -0.968 3.251 370 HB2 TYR 46 2HB TYR 46 -3.028 0.014 0.480 371 HB3 TYR 46 1HB TYR 46 -4.394 -0.117 1.578 372 HD1 TYR 46 HD1 TYR 46 -4.117 1.056 3.889 373 HD2 TYR 46 HD2 TYR 46 -1.756 1.979 0.470 374 HE1 TYR 46 HE1 TYR 46 -3.644 3.270 4.826 375 HE2 TYR 46 HE2 TYR 46 -1.272 4.202 1.404 376 HH TYR 46 HH TYR 46 -2.012 5.026 4.651 377 H ASP 47 H ASP 47 -4.463 -1.902 3.857 378 HA ASP 47 HA ASP 47 -5.291 -4.341 2.475 379 HB2 ASP 47 2HB ASP 47 -6.036 -3.071 5.108 380 HB3 ASP 47 1HB ASP 47 -6.973 -4.401 4.441 381 H LEU 48 H LEU 48 -6.568 -3.974 0.716 382 HA LEU 48 HA LEU 48 -8.896 -2.180 1.078 383 HB2 LEU 48 2HB LEU 48 -7.527 -2.973 -1.503 384 HB3 LEU 48 1HB LEU 48 -8.942 -1.944 -1.376 385 HG LEU 48 HG LEU 48 -6.155 -1.304 -0.383 386 HD11 LEU 48 1HD1 LEU 48 -7.814 -0.043 -2.567 387 HD12 LEU 48 2HD1 LEU 48 -6.438 -1.122 -2.806 388 HD13 LEU 48 3HD1 LEU 48 -6.200 0.456 -2.058 389 HD21 LEU 48 3HD2 LEU 48 -7.056 0.896 0.233 390 HD22 LEU 48 1HD2 LEU 48 -7.800 -0.400 1.168 391 HD23 LEU 48 2HD2 LEU 48 -8.683 0.342 -0.169 392 H LYS 49 H LYS 49 -10.787 -3.180 1.258 393 HA LYS 49 HA LYS 49 -11.035 -5.993 0.486 394 HB2 LYS 49 2HB LYS 49 -13.091 -4.286 1.907 395 HB3 LYS 49 1HB LYS 49 -13.006 -6.040 1.855 396 HG2 LYS 49 2HG LYS 49 -11.062 -4.207 3.257 397 HG3 LYS 49 1HG LYS 49 -12.305 -5.194 4.023 398 HD2 LYS 49 2HD LYS 49 -11.174 -7.230 3.230 399 HD3 LYS 49 1HD LYS 49 -9.934 -6.241 2.455 400 HE2 LYS 49 2HE LYS 49 -9.316 -5.323 4.659 401 HE3 LYS 49 1HE LYS 49 -10.536 -6.345 5.416 402 HZ1 LYS 49 3HZ LYS 49 -9.331 -8.291 4.634 403 HZ2 LYS 49 1HZ LYS 49 -8.341 -7.316 5.598 404 HZ3 LYS 49 2HZ LYS 49 -8.159 -7.306 3.919 405 H SER 50 H SER 50 -12.694 -6.773 -0.910 406 HA SER 50 HA SER 50 -13.344 -5.037 -3.095 407 HB2 SER 50 2HB SER 50 -14.308 -7.848 -2.495 408 HB3 SER 50 1HB SER 50 -14.542 -7.001 -4.024 409 HG SER 50 HG SER 50 -12.218 -6.879 -4.158 410 H LYS 51 H LYS 51 -15.540 -4.663 -3.933 411 HA LYS 51 HA LYS 51 -17.169 -3.362 -2.078 412 HB2 LYS 51 2HB LYS 51 -17.028 -3.062 -4.627 413 HB3 LYS 51 1HB LYS 51 -18.162 -4.398 -4.738 414 HG2 LYS 51 2HG LYS 51 -18.741 -1.906 -3.154 415 HG3 LYS 51 1HG LYS 51 -19.113 -2.050 -4.868 416 HD2 LYS 51 2HD LYS 51 -20.586 -3.946 -4.395 417 HD3 LYS 51 1HD LYS 51 -20.186 -3.835 -2.678 418 HE2 LYS 51 2HE LYS 51 -22.356 -2.774 -3.220 419 HE3 LYS 51 1HE LYS 51 -21.195 -1.636 -2.540 420 HZ1 LYS 51 3HZ LYS 51 -20.737 -0.812 -4.744 421 HZ2 LYS 51 1HZ LYS 51 -22.396 -0.719 -4.436 422 HZ3 LYS 51 2HZ LYS 51 -21.788 -1.942 -5.433 423 H GLY 52 H GLY 52 -18.058 -6.341 -3.885 424 HA2 GLY 52 2HA GLY 52 -19.385 -7.420 -1.518 425 HA3 GLY 52 1HA GLY 52 -20.445 -6.985 -2.847 426 H GLN 53 H GLN 53 -17.234 -8.507 -2.839 427 HA GLN 53 HA GLN 53 -18.389 -10.793 -4.316 428 HB2 GLN 53 2HB GLN 53 -16.670 -9.478 -5.539 429 HB3 GLN 53 1HB GLN 53 -15.512 -9.839 -4.267 430 HG2 GLN 53 2HG GLN 53 -15.094 -11.303 -6.107 431 HG3 GLN 53 1HG GLN 53 -15.768 -12.259 -4.787 432 HE21 GLN 53 1HE2 GLN 53 -16.551 -13.889 -6.101 433 HE22 GLN 53 2HE2 GLN 53 -17.860 -13.660 -7.203 434 H GLY 54 H GLY 54 -16.435 -9.860 -1.553 435 HA2 GLY 54 2HA GLY 54 -16.282 -11.178 0.417 436 HA3 GLY 54 1HA GLY 54 -16.587 -12.617 -0.543 437 H ARG 55 H ARG 55 -14.219 -10.234 -1.534 438 HA ARG 55 HA ARG 55 -12.019 -11.850 -0.461 439 HB2 ARG 55 2HB ARG 55 -10.897 -12.077 -2.547 440 HB3 ARG 55 1HB ARG 55 -12.554 -12.587 -2.830 441 HG2 ARG 55 2HG ARG 55 -13.016 -10.311 -3.769 442 HG3 ARG 55 1HG ARG 55 -11.291 -9.967 -3.631 443 HD2 ARG 55 2HD ARG 55 -12.674 -11.977 -5.397 444 HD3 ARG 55 1HD ARG 55 -11.613 -10.652 -5.867 445 HE ARG 55 HE ARG 55 -10.483 -12.840 -4.287 446 HH11 ARG 55 1HH1 ARG 55 -10.724 -11.234 -7.332 447 HH12 ARG 55 2HH1 ARG 55 -9.428 -12.147 -8.023 448 HH21 ARG 55 1HH2 ARG 55 -8.818 -13.963 -5.164 449 HH22 ARG 55 2HH2 ARG 55 -8.322 -13.648 -6.791 450 H MET 56 H MET 56 -9.826 -10.629 -1.139 451 HA MET 56 HA MET 56 -10.201 -7.729 -1.147 452 HB2 MET 56 2HB MET 56 -8.907 -7.302 0.804 453 HB3 MET 56 1HB MET 56 -10.124 -8.486 1.262 454 HG2 MET 56 2HG MET 56 -8.502 -10.257 1.204 455 HG3 MET 56 1HG MET 56 -7.275 -9.174 0.545 456 HE1 MET 56 3HE MET 56 -6.483 -10.887 3.001 457 HE2 MET 56 1HE MET 56 -5.765 -9.682 4.067 458 HE3 MET 56 2HE MET 56 -5.453 -9.623 2.333 459 H ILE 57 H ILE 57 -8.062 -6.566 -1.290 460 HA ILE 57 HA ILE 57 -5.908 -8.165 -2.498 461 HB ILE 57 HB ILE 57 -5.570 -6.419 -4.244 462 HG12 ILE 57 2HG1 ILE 57 -8.273 -5.404 -3.306 463 HG13 ILE 57 1HG1 ILE 57 -6.740 -4.561 -3.117 464 HG21 ILE 57 1HG2 ILE 57 -8.260 -7.789 -4.301 465 HG22 ILE 57 2HG2 ILE 57 -6.720 -8.481 -4.811 466 HG23 ILE 57 3HG2 ILE 57 -7.421 -7.131 -5.705 467 HD11 ILE 57 3HD1 ILE 57 -8.038 -5.242 -5.747 468 HD12 ILE 57 1HD1 ILE 57 -6.546 -4.329 -5.522 469 HD13 ILE 57 2HD1 ILE 57 -8.079 -3.667 -4.956 470 H GLN 58 H GLN 58 -3.892 -7.563 -1.831 471 HA GLN 58 HA GLN 58 -3.693 -5.263 -0.025 472 HB2 GLN 58 2HB GLN 58 -1.765 -7.510 -0.651 473 HB3 GLN 58 1HB GLN 58 -1.427 -6.206 0.482 474 HG2 GLN 58 2HG GLN 58 -3.206 -6.906 1.926 475 HG3 GLN 58 1HG GLN 58 -3.766 -8.091 0.749 476 HE21 GLN 58 1HE2 GLN 58 -2.577 -9.977 0.455 477 HE22 GLN 58 2HE2 GLN 58 -1.443 -10.531 1.629 478 H VAL 59 H VAL 59 -3.320 -3.366 -1.018 479 HA VAL 59 HA VAL 59 -1.824 -3.348 -3.544 480 HB VAL 59 HB VAL 59 -3.552 -1.192 -2.312 481 HG11 VAL 59 1HG1 VAL 59 -2.243 -1.324 -5.035 482 HG12 VAL 59 2HG1 VAL 59 -1.815 -0.223 -3.725 483 HG13 VAL 59 3HG1 VAL 59 -3.389 -0.092 -4.510 484 HG21 VAL 59 3HG2 VAL 59 -4.830 -3.156 -3.014 485 HG22 VAL 59 1HG2 VAL 59 -4.095 -3.074 -4.616 486 HG23 VAL 59 2HG2 VAL 59 -5.162 -1.779 -4.065 487 H SER 60 H SER 60 0.237 -2.728 -3.586 488 HA SER 60 HA SER 60 1.279 -1.104 -1.350 489 HB2 SER 60 2HB SER 60 2.228 -3.412 -1.630 490 HB3 SER 60 1HB SER 60 2.868 -2.908 -3.195 491 HG SER 60 HG SER 60 4.488 -2.118 -2.141 492 H ILE 61 H ILE 61 1.631 0.960 -1.840 493 HA ILE 61 HA ILE 61 2.244 1.731 -4.620 494 HB ILE 61 HB ILE 61 1.601 4.029 -3.917 495 HG12 ILE 61 2HG1 ILE 61 0.804 2.670 -1.318 496 HG13 ILE 61 1HG1 ILE 61 2.108 3.837 -1.512 497 HG21 ILE 61 1HG2 ILE 61 -0.014 2.524 -4.985 498 HG22 ILE 61 2HG2 ILE 61 -0.800 3.619 -3.848 499 HG23 ILE 61 3HG2 ILE 61 -0.518 1.936 -3.400 500 HD11 ILE 61 3HD1 ILE 61 0.459 5.543 -2.142 501 HD12 ILE 61 1HD1 ILE 61 0.166 4.879 -0.534 502 HD13 ILE 61 2HD1 ILE 61 -0.830 4.365 -1.895 503 HA PRO 62 HA PRO 62 6.438 2.839 -3.748 504 HB2 PRO 62 2HB PRO 62 6.685 5.194 -5.174 505 HB3 PRO 62 1HB PRO 62 6.749 3.580 -5.891 506 HG2 PRO 62 2HG PRO 62 4.442 5.490 -5.724 507 HG3 PRO 62 1HG PRO 62 4.965 4.482 -7.088 508 HD2 PRO 62 2HD PRO 62 2.886 3.769 -5.551 509 HD3 PRO 62 1HD PRO 62 4.017 2.553 -6.184 510 H ALA 63 H ALA 63 7.727 4.130 -2.407 511 HA ALA 63 HA ALA 63 6.372 5.512 -0.327 512 HB1 ALA 63 3HB ALA 63 8.402 4.235 0.068 513 HB2 ALA 63 1HB ALA 63 8.604 5.907 0.593 514 HB3 ALA 63 2HB ALA 63 9.323 5.363 -0.921 515 H SER 64 H SER 64 7.599 6.620 -3.334 516 HA SER 64 HA SER 64 8.143 9.324 -2.726 517 HB2 SER 64 2HB SER 64 8.775 8.313 -4.877 518 HB3 SER 64 1HB SER 64 7.074 8.139 -5.306 519 HG SER 64 HG SER 64 8.257 10.043 -6.145 520 H VAL 65 H VAL 65 5.188 7.585 -2.885 521 HA VAL 65 HA VAL 65 3.536 9.976 -3.170 522 HB VAL 65 HB VAL 65 2.696 7.089 -2.812 523 HG11 VAL 65 1HG1 VAL 65 0.509 7.865 -3.647 524 HG12 VAL 65 2HG1 VAL 65 1.110 9.523 -3.651 525 HG13 VAL 65 3HG1 VAL 65 0.954 8.646 -2.129 526 HG21 VAL 65 3HG2 VAL 65 2.260 7.101 -5.231 527 HG22 VAL 65 1HG2 VAL 65 3.965 7.386 -4.879 528 HG23 VAL 65 2HG2 VAL 65 2.922 8.732 -5.342 529 HA PRO 66 HA PRO 66 3.416 10.638 1.303 530 HB2 PRO 66 2HB PRO 66 0.885 12.009 0.477 531 HB3 PRO 66 1HB PRO 66 2.182 12.583 1.534 532 HG2 PRO 66 2HG PRO 66 1.999 13.486 -0.957 533 HG3 PRO 66 1HG PRO 66 3.586 13.103 -0.256 534 HD2 PRO 66 2HD PRO 66 1.959 11.552 -2.231 535 HD3 PRO 66 1HD PRO 66 3.719 11.763 -2.136 536 H LEU 67 H LEU 67 2.191 9.930 3.086 537 HA LEU 67 HA LEU 67 0.705 7.541 2.624 538 HB2 LEU 67 2HB LEU 67 2.196 7.936 4.581 539 HB3 LEU 67 1HB LEU 67 1.020 9.078 5.206 540 HG LEU 67 HG LEU 67 -0.634 7.288 5.441 541 HD11 LEU 67 1HD1 LEU 67 1.542 5.468 4.406 542 HD12 LEU 67 2HD1 LEU 67 0.070 5.921 3.539 543 HD13 LEU 67 3HD1 LEU 67 -0.033 4.960 5.019 544 HD21 LEU 67 3HD2 LEU 67 0.435 6.042 7.243 545 HD22 LEU 67 1HD2 LEU 67 0.893 7.745 7.306 546 HD23 LEU 67 2HD2 LEU 67 2.025 6.549 6.672 547 H LYS 68 H LYS 68 -1.489 7.083 2.993 548 HA LYS 68 HA LYS 68 -3.169 9.287 2.179 549 HB2 LYS 68 2HB LYS 68 -3.961 6.407 2.633 550 HB3 LYS 68 1HB LYS 68 -4.845 7.613 1.709 551 HG2 LYS 68 2HG LYS 68 -2.251 6.261 1.007 552 HG3 LYS 68 1HG LYS 68 -3.782 6.225 0.129 553 HD2 LYS 68 2HD LYS 68 -3.513 8.691 -0.268 554 HD3 LYS 68 1HD LYS 68 -1.903 8.564 0.453 555 HE2 LYS 68 2HE LYS 68 -1.198 7.044 -1.282 556 HE3 LYS 68 1HE LYS 68 -2.824 7.003 -1.964 557 HZ1 LYS 68 3HZ LYS 68 -1.369 8.470 -3.207 558 HZ2 LYS 68 1HZ LYS 68 -1.073 9.401 -1.826 559 HZ3 LYS 68 2HZ LYS 68 -2.625 9.345 -2.497 560 H GLU 69 H GLU 69 -3.436 6.860 4.808 561 HA GLU 69 HA GLU 69 -4.553 6.865 6.794 562 HB2 GLU 69 2HB GLU 69 -4.159 9.863 6.587 563 HB3 GLU 69 1HB GLU 69 -4.670 9.017 8.039 564 HG2 GLU 69 2HG GLU 69 -2.529 7.799 8.058 565 HG3 GLU 69 1HG GLU 69 -2.020 8.702 6.632 566 H PHE 70 H PHE 70 -6.264 6.720 4.547 567 HA PHE 70 HA PHE 70 -8.440 8.534 4.678 568 HB2 PHE 70 2HB PHE 70 -8.320 5.690 3.648 569 HB3 PHE 70 1HB PHE 70 -9.716 6.744 3.451 570 HD1 PHE 70 HD2 PHE 70 -8.580 9.297 2.699 571 HD2 PHE 70 HD1 PHE 70 -7.375 5.369 1.557 572 HE1 PHE 70 HE2 PHE 70 -7.629 10.194 0.618 573 HE2 PHE 70 HE1 PHE 70 -6.427 6.268 -0.528 574 HZ PHE 70 HZ PHE 70 -6.553 8.679 -0.999 575 H ASP 71 H ASP 71 -10.729 7.816 5.237 576 HA ASP 71 HA ASP 71 -10.853 7.073 7.987 577 HB2 ASP 71 2HB ASP 71 -12.452 8.643 6.951 578 HB3 ASP 71 1HB ASP 71 -13.081 7.340 5.947 579 H TYR 72 H TYR 72 -11.966 5.206 8.908 580 HA TYR 72 HA TYR 72 -11.127 2.774 7.756 581 HB2 TYR 72 2HB TYR 72 -11.466 3.107 10.192 582 HB3 TYR 72 1HB TYR 72 -13.209 3.148 9.923 583 HD1 TYR 72 HD1 TYR 72 -10.262 0.973 9.176 584 HD2 TYR 72 HD2 TYR 72 -14.388 1.146 10.214 585 HE1 TYR 72 HE1 TYR 72 -10.317 -1.474 9.343 586 HE2 TYR 72 HE2 TYR 72 -14.445 -1.306 10.390 587 HH TYR 72 HH TYR 72 -11.551 -3.230 10.271 588 H ASN 73 H ASN 73 -11.954 1.671 6.144 589 HA ASN 73 HA ASN 73 -13.370 0.708 4.671 590 HB2 ASN 73 2HB ASN 73 -15.404 1.470 6.753 591 HB3 ASN 73 1HB ASN 73 -15.887 0.730 5.231 592 HD21 ASN 73 1HD2 ASN 73 -12.859 -0.088 6.771 593 HD22 ASN 73 2HD2 ASN 73 -13.329 -1.678 7.256 594 H ALA 74 H ALA 74 -12.720 3.695 4.755 595 HA ALA 74 HA ALA 74 -14.732 5.092 3.373 596 HB1 ALA 74 3HB ALA 74 -12.768 6.186 4.368 597 HB2 ALA 74 1HB ALA 74 -12.968 6.619 2.670 598 HB3 ALA 74 2HB ALA 74 -11.739 5.446 3.141 599 H ARG 75 H ARG 75 -15.194 5.336 1.226 600 HA ARG 75 HA ARG 75 -14.700 3.080 -0.463 601 HB2 ARG 75 2HB ARG 75 -15.934 5.704 -1.316 602 HB3 ARG 75 1HB ARG 75 -16.248 4.098 -1.964 603 HG2 ARG 75 2HG ARG 75 -17.401 3.452 0.047 604 HG3 ARG 75 1HG ARG 75 -16.950 4.965 0.835 605 HD2 ARG 75 2HD ARG 75 -19.190 5.253 0.160 606 HD3 ARG 75 1HD ARG 75 -18.229 6.149 -1.015 607 HE ARG 75 HE ARG 75 -19.305 3.450 -1.539 608 HH11 ARG 75 1HH1 ARG 75 -18.565 6.653 -2.601 609 HH12 ARG 75 2HH1 ARG 75 -19.306 6.410 -4.146 610 HH21 ARG 75 1HH2 ARG 75 -20.224 3.166 -3.534 611 HH22 ARG 75 2HH2 ARG 75 -20.198 4.470 -4.677 612 H VAL 76 H VAL 76 -12.814 2.804 -1.536 613 HA VAL 76 HA VAL 76 -11.582 5.143 -2.852 614 HB VAL 76 HB VAL 76 -9.356 4.211 -2.467 615 HG11 VAL 76 1HG1 VAL 76 -10.218 5.796 -0.836 616 HG12 VAL 76 2HG1 VAL 76 -9.196 4.598 -0.043 617 HG13 VAL 76 3HG1 VAL 76 -10.951 4.483 0.082 618 HG21 VAL 76 3HG2 VAL 76 -10.735 2.085 -0.815 619 HG22 VAL 76 1HG2 VAL 76 -8.990 2.304 -0.978 620 HG23 VAL 76 2HG2 VAL 76 -9.953 1.828 -2.376 621 H GLU 77 H GLU 77 -10.239 4.621 -4.735 622 HA GLU 77 HA GLU 77 -10.666 2.009 -5.971 623 HB2 GLU 77 2HB GLU 77 -11.332 3.026 -8.129 624 HB3 GLU 77 1HB GLU 77 -12.507 3.315 -6.856 625 HG2 GLU 77 2HG GLU 77 -11.653 5.587 -6.567 626 HG3 GLU 77 1HG GLU 77 -10.456 5.299 -7.827 627 H LEU 78 H LEU 78 -9.190 1.563 -7.741 628 HA LEU 78 HA LEU 78 -6.596 2.828 -7.232 629 HB2 LEU 78 2HB LEU 78 -7.317 0.254 -8.640 630 HB3 LEU 78 1HB LEU 78 -5.677 0.847 -8.440 631 HG LEU 78 HG LEU 78 -7.548 0.083 -6.187 632 HD11 LEU 78 1HD1 LEU 78 -5.107 -1.341 -7.251 633 HD12 LEU 78 2HD1 LEU 78 -6.779 -1.851 -7.490 634 HD13 LEU 78 3HD1 LEU 78 -6.088 -1.832 -5.868 635 HD21 LEU 78 3HD2 LEU 78 -6.013 1.850 -5.511 636 HD22 LEU 78 1HD2 LEU 78 -4.644 0.929 -6.135 637 HD23 LEU 78 2HD2 LEU 78 -5.564 0.321 -4.757 638 H ILE 79 H ILE 79 -5.335 3.792 -8.762 639 HA ILE 79 HA ILE 79 -6.522 4.636 -11.235 640 HB ILE 79 HB ILE 79 -3.640 4.900 -10.343 641 HG12 ILE 79 2HG1 ILE 79 -5.171 5.942 -8.725 642 HG13 ILE 79 1HG1 ILE 79 -4.261 7.168 -9.599 643 HG21 ILE 79 1HG2 ILE 79 -5.193 6.379 -12.470 644 HG22 ILE 79 2HG2 ILE 79 -3.883 5.227 -12.733 645 HG23 ILE 79 3HG2 ILE 79 -3.554 6.772 -11.947 646 HD11 ILE 79 3HD1 ILE 79 -6.210 7.571 -11.031 647 HD12 ILE 79 1HD1 ILE 79 -6.558 7.846 -9.325 648 HD13 ILE 79 2HD1 ILE 79 -7.118 6.370 -10.110 649 H ASN 80 H ASN 80 -3.300 3.125 -10.928 650 HA ASN 80 HA ASN 80 -4.016 1.221 -13.062 651 HB2 ASN 80 2HB ASN 80 -1.527 2.933 -12.896 652 HB3 ASN 80 1HB ASN 80 -1.685 1.553 -13.978 653 HD21 ASN 80 1HD2 ASN 80 -1.315 4.406 -14.574 654 HD22 ASN 80 2HD2 ASN 80 -2.645 4.850 -15.585 655 HA PRO 81 HA PRO 81 -2.044 -1.275 -9.749 656 HB2 PRO 81 2HB PRO 81 -3.771 -3.312 -9.786 657 HB3 PRO 81 1HB PRO 81 -4.184 -1.776 -9.012 658 HG2 PRO 81 2HG PRO 81 -4.979 -2.810 -11.715 659 HG3 PRO 81 1HG PRO 81 -5.967 -1.979 -10.501 660 HD2 PRO 81 2HD PRO 81 -4.829 -0.739 -12.690 661 HD3 PRO 81 1HD PRO 81 -5.282 0.094 -11.191 662 H ILE 82 H ILE 82 -0.813 -3.191 -9.843 663 HA ILE 82 HA ILE 82 -0.922 -4.896 -12.219 664 HB ILE 82 HB ILE 82 1.575 -4.981 -12.371 665 HG12 ILE 82 2HG1 ILE 82 1.459 -2.492 -10.638 666 HG13 ILE 82 1HG1 ILE 82 2.084 -4.058 -10.134 667 HG21 ILE 82 1HG2 ILE 82 0.279 -3.696 -13.987 668 HG22 ILE 82 2HG2 ILE 82 1.834 -2.928 -13.668 669 HG23 ILE 82 3HG2 ILE 82 0.363 -2.275 -12.944 670 HD11 ILE 82 3HD1 ILE 82 3.875 -2.515 -10.681 671 HD12 ILE 82 1HD1 ILE 82 3.230 -2.320 -12.310 672 HD13 ILE 82 2HD1 ILE 82 3.864 -3.883 -11.794 673 H ALA 83 H ALA 83 -0.694 -7.036 -11.697 674 HA ALA 83 HA ALA 83 -0.475 -7.782 -8.927 675 HB1 ALA 83 3HB ALA 83 -0.619 -9.491 -11.418 676 HB2 ALA 83 1HB ALA 83 -1.976 -8.993 -10.409 677 HB3 ALA 83 2HB ALA 83 -0.754 -10.087 -9.762 678 H ASP 84 H ASP 84 1.419 -8.048 -7.846 679 HA ASP 84 HA ASP 84 3.852 -8.480 -9.473 680 HB2 ASP 84 2HB ASP 84 3.665 -6.337 -8.189 681 HB3 ASP 84 1HB ASP 84 3.675 -7.279 -6.702 682 H THR 85 H THR 85 3.211 -8.996 -5.995 683 HA THR 85 HA THR 85 4.506 -11.627 -6.251 684 HB THR 85 HB THR 85 4.738 -11.505 -3.742 685 HG1 THR 85 HG1 THR 85 3.512 -9.970 -2.921 686 HG21 THR 85 3HG2 THR 85 6.620 -10.991 -5.216 687 HG22 THR 85 1HG2 THR 85 6.643 -9.978 -3.772 688 HG23 THR 85 2HG2 THR 85 6.091 -9.310 -5.308 689 H VAL 86 H VAL 86 2.630 -12.675 -7.001 690 HA VAL 86 HA VAL 86 0.270 -12.794 -5.387 691 HB VAL 86 HB VAL 86 0.136 -13.159 -7.792 692 HG11 VAL 86 1HG1 VAL 86 1.707 -15.698 -7.338 693 HG12 VAL 86 2HG1 VAL 86 2.287 -14.251 -8.164 694 HG13 VAL 86 3HG1 VAL 86 0.967 -15.192 -8.859 695 HG21 VAL 86 3HG2 VAL 86 -1.575 -14.125 -6.370 696 HG22 VAL 86 1HG2 VAL 86 -0.635 -15.609 -6.209 697 HG23 VAL 86 2HG2 VAL 86 -1.294 -15.147 -7.780 698 H ALA 87 H ALA 87 0.542 -13.518 -3.377 699 HA ALA 87 HA ALA 87 2.609 -15.085 -2.439 700 HB1 ALA 87 3HB ALA 87 1.406 -15.216 -0.357 701 HB2 ALA 87 1HB ALA 87 -0.104 -14.797 -1.164 702 HB3 ALA 87 2HB ALA 87 1.200 -13.609 -1.061 703 H THR 88 H THR 88 -0.506 -16.161 -3.672 704 HA THR 88 HA THR 88 -0.589 -18.774 -2.705 705 HB THR 88 HB THR 88 -1.974 -19.311 -4.687 706 HG1 THR 88 HG1 THR 88 -2.251 -17.727 -6.284 707 HG21 THR 88 3HG2 THR 88 -2.595 -16.600 -3.483 708 HG22 THR 88 1HG2 THR 88 -3.010 -18.162 -2.773 709 HG23 THR 88 2HG2 THR 88 -3.747 -17.660 -4.294 710 H ALA 89 H ALA 89 1.395 -17.427 -5.260 711 HA ALA 89 HA ALA 89 2.243 -20.121 -6.101 712 HB1 ALA 89 3HB ALA 89 3.111 -19.051 -8.113 713 HB2 ALA 89 1HB ALA 89 2.656 -17.468 -7.481 714 HB3 ALA 89 2HB ALA 89 1.409 -18.655 -7.870 715 H THR 90 H THR 90 3.268 -18.121 -3.784 716 HA THR 90 HA THR 90 6.139 -18.483 -4.441 717 HB THR 90 HB THR 90 5.357 -16.096 -4.143 718 HG1 THR 90 HG1 THR 90 7.433 -15.959 -3.753 719 HG21 THR 90 3HG2 THR 90 3.801 -16.496 -2.272 720 HG22 THR 90 1HG2 THR 90 5.002 -15.266 -1.885 721 HG23 THR 90 2HG2 THR 90 5.170 -16.897 -1.236 722 H TYR 91 H TYR 91 3.824 -19.945 -2.673 723 HA TYR 91 HA TYR 91 5.637 -20.577 -0.427 724 HB2 TYR 91 2HB TYR 91 2.614 -20.611 -0.525 725 HB3 TYR 91 1HB TYR 91 3.556 -21.259 0.813 726 HD1 TYR 91 HD1 TYR 91 5.569 -19.392 1.437 727 HD2 TYR 91 HD2 TYR 91 1.634 -18.583 0.025 728 HE1 TYR 91 HE1 TYR 91 5.656 -17.167 2.485 729 HE2 TYR 91 HE2 TYR 91 1.717 -16.357 1.059 730 HH TYR 91 HH TYR 91 2.898 -15.218 2.891 731 H GLN 92 H GLN 92 4.614 -22.827 0.590 732 HA GLN 92 HA GLN 92 5.268 -24.800 -1.473 733 HB2 GLN 92 2HB GLN 92 5.016 -25.076 1.532 734 HB3 GLN 92 1HB GLN 92 5.523 -26.360 0.441 735 HG2 GLN 92 2HG GLN 92 7.485 -25.059 -0.200 736 HG3 GLN 92 1HG GLN 92 6.971 -23.747 0.859 737 HE21 GLN 92 1HE2 GLN 92 9.416 -25.345 0.887 738 HE22 GLN 92 2HE2 GLN 92 9.505 -26.033 2.468 739 H GLY 93 H GLY 93 2.551 -23.567 -1.394 740 HA2 GLY 93 2HA GLY 93 0.793 -25.095 -2.358 741 HA3 GLY 93 1HA GLY 93 0.964 -26.020 -0.874 742 H ALA 94 H ALA 94 1.251 -23.301 0.559 743 HA ALA 94 HA ALA 94 -1.420 -23.176 1.467 744 HB1 ALA 94 3HB ALA 94 -0.694 -21.304 2.834 745 HB2 ALA 94 1HB ALA 94 0.782 -21.151 1.879 746 HB3 ALA 94 2HB ALA 94 0.511 -22.591 2.860 747 H ASP 95 H ASP 95 -3.090 -22.438 0.294 748 HA ASP 95 HA ASP 95 -2.837 -20.272 -1.606 749 HB2 ASP 95 2HB ASP 95 -4.383 -22.130 -2.045 750 HB3 ASP 95 1HB ASP 95 -5.278 -21.752 -0.578 751 H VAL 96 H VAL 96 -2.642 -18.237 -0.871 752 HA VAL 96 HA VAL 96 -4.373 -17.319 1.332 753 HB VAL 96 HB VAL 96 -2.484 -16.033 2.303 754 HG11 VAL 96 1HG1 VAL 96 -1.966 -19.009 2.142 755 HG12 VAL 96 2HG1 VAL 96 -3.071 -18.210 3.259 756 HG13 VAL 96 3HG1 VAL 96 -1.337 -17.915 3.375 757 HG21 VAL 96 3HG2 VAL 96 -0.176 -16.573 1.638 758 HG22 VAL 96 1HG2 VAL 96 -1.086 -15.845 0.313 759 HG23 VAL 96 2HG2 VAL 96 -0.795 -17.584 0.332 760 H ASP 97 H ASP 97 -3.924 -14.804 1.602 761 HA ASP 97 HA ASP 97 -4.929 -13.483 -0.649 762 HB2 ASP 97 2HB ASP 97 -4.053 -11.392 0.719 763 HB3 ASP 97 1HB ASP 97 -5.396 -12.364 1.310 764 H TRP 98 H TRP 98 -3.964 -11.700 -1.885 765 HA TRP 98 HA TRP 98 -1.144 -12.260 -2.545 766 HB2 TRP 98 2HB TRP 98 -1.706 -11.980 -4.942 767 HB3 TRP 98 1HB TRP 98 -2.522 -13.351 -4.207 768 HD1 TRP 98 HD1 TRP 98 -5.144 -12.131 -3.090 769 HE1 TRP 98 HE1 TRP 98 -6.910 -11.091 -4.640 770 HE3 TRP 98 HE3 TRP 98 -2.194 -11.175 -7.155 771 HZ2 TRP 98 HZ2 TRP 98 -7.050 -10.035 -7.246 772 HZ3 TRP 98 HZ3 TRP 98 -3.229 -10.164 -9.147 773 HH2 TRP 98 HH2 TRP 98 -5.610 -9.606 -9.193 774 H TYR 99 H TYR 99 -0.049 -10.556 -3.811 775 HA TYR 99 HA TYR 99 -0.809 -7.925 -2.709 776 HB2 TYR 99 2HB TYR 99 1.940 -9.044 -3.300 777 HB3 TYR 99 1HB TYR 99 1.623 -7.420 -2.708 778 HD1 TYR 99 HD1 TYR 99 1.300 -11.017 -1.825 779 HD2 TYR 99 HD2 TYR 99 1.354 -7.009 -0.389 780 HE1 TYR 99 HE1 TYR 99 1.383 -11.856 0.485 781 HE2 TYR 99 HE2 TYR 99 1.434 -7.836 1.927 782 HH TYR 99 HH TYR 99 2.103 -11.076 2.707 783 H ILE 100 H ILE 100 -1.217 -6.319 -4.043 784 HA ILE 100 HA ILE 100 -0.306 -6.433 -6.854 785 HB ILE 100 HB ILE 100 -2.781 -5.091 -5.723 786 HG12 ILE 100 2HG1 ILE 100 -2.522 -7.548 -7.482 787 HG13 ILE 100 1HG1 ILE 100 -2.980 -7.548 -5.781 788 HG21 ILE 100 1HG2 ILE 100 -1.831 -5.309 -8.582 789 HG22 ILE 100 2HG2 ILE 100 -1.895 -3.841 -7.608 790 HG23 ILE 100 3HG2 ILE 100 -3.388 -4.659 -8.068 791 HD11 ILE 100 3HD1 ILE 100 -4.979 -6.223 -6.368 792 HD12 ILE 100 1HD1 ILE 100 -4.931 -7.808 -7.137 793 HD13 ILE 100 2HD1 ILE 100 -4.533 -6.368 -8.069 794 H LYS 101 H LYS 101 1.110 -4.847 -7.421 795 HA LYS 101 HA LYS 101 1.423 -2.507 -5.689 796 HB2 LYS 101 2HB LYS 101 3.018 -3.383 -8.118 797 HB3 LYS 101 1HB LYS 101 3.409 -2.008 -7.088 798 HG2 LYS 101 2HG LYS 101 3.724 -3.510 -5.186 799 HG3 LYS 101 1HG LYS 101 3.306 -4.890 -6.202 800 HD2 LYS 101 2HD LYS 101 5.703 -4.771 -5.987 801 HD3 LYS 101 1HD LYS 101 5.263 -4.364 -7.644 802 HE2 LYS 101 2HE LYS 101 5.617 -2.029 -7.235 803 HE3 LYS 101 1HE LYS 101 5.807 -2.306 -5.505 804 HZ1 LYS 101 3HZ LYS 101 7.951 -2.020 -6.443 805 HZ2 LYS 101 1HZ LYS 101 7.649 -3.153 -7.664 806 HZ3 LYS 101 2HZ LYS 101 7.796 -3.660 -6.060 807 H ALA 102 H ALA 102 1.087 -0.338 -6.424 808 HA ALA 102 HA ALA 102 -0.358 -0.116 -8.983 809 HB1 ALA 102 3HB ALA 102 -2.196 1.083 -7.973 810 HB2 ALA 102 1HB ALA 102 -1.442 0.960 -6.382 811 HB3 ALA 102 2HB ALA 102 -2.016 -0.491 -7.201 812 H ASP 103 H ASP 103 -0.710 2.065 -9.722 813 HA ASP 103 HA ASP 103 1.445 3.855 -9.433 814 HB2 ASP 103 2HB ASP 103 0.062 3.827 -11.436 815 HB3 ASP 103 1HB ASP 103 -1.357 4.292 -10.504 816 H ASP 104 H ASP 104 -1.942 4.237 -8.330 817 HA ASP 104 HA ASP 104 -1.182 5.360 -5.813 818 HB2 ASP 104 2HB ASP 104 -0.760 7.306 -7.281 819 HB3 ASP 104 1HB ASP 104 -2.417 7.216 -7.872 820 H ILE 105 H ILE 105 -3.092 6.073 -4.527 821 HA ILE 105 HA ILE 105 -5.541 4.586 -5.302 822 HB ILE 105 HB ILE 105 -4.504 5.000 -2.482 823 HG12 ILE 105 2HG1 ILE 105 -4.417 2.493 -4.187 824 HG13 ILE 105 1HG1 ILE 105 -3.028 3.487 -3.771 825 HG21 ILE 105 1HG2 ILE 105 -6.943 4.773 -2.638 826 HG22 ILE 105 2HG2 ILE 105 -6.221 3.377 -1.840 827 HG23 ILE 105 3HG2 ILE 105 -6.753 3.260 -3.520 828 HD11 ILE 105 3HD1 ILE 105 -3.145 1.482 -2.396 829 HD12 ILE 105 1HD1 ILE 105 -4.741 1.959 -1.820 830 HD13 ILE 105 2HD1 ILE 105 -3.328 2.935 -1.416 831 H VAL 106 H VAL 106 -7.349 5.828 -5.445 832 HA VAL 106 HA VAL 106 -7.465 8.352 -3.891 833 HB VAL 106 HB VAL 106 -8.833 9.319 -5.734 834 HG11 VAL 106 1HG1 VAL 106 -6.458 9.840 -5.588 835 HG12 VAL 106 2HG1 VAL 106 -6.958 9.730 -7.276 836 HG13 VAL 106 3HG1 VAL 106 -6.063 8.403 -6.531 837 HG21 VAL 106 3HG2 VAL 106 -8.822 8.235 -7.940 838 HG22 VAL 106 1HG2 VAL 106 -9.637 7.237 -6.737 839 HG23 VAL 106 2HG2 VAL 106 -7.996 6.837 -7.251 840 H LEU 107 H LEU 107 -9.938 9.164 -3.971 841 HA LEU 107 HA LEU 107 -11.473 7.072 -2.691 842 HB2 LEU 107 2HB LEU 107 -12.155 9.956 -3.283 843 HB3 LEU 107 1HB LEU 107 -13.185 8.865 -2.375 844 HG LEU 107 HG LEU 107 -10.420 9.776 -1.555 845 HD11 LEU 107 1HD1 LEU 107 -11.548 11.026 0.193 846 HD12 LEU 107 2HD1 LEU 107 -13.119 10.471 -0.388 847 HD13 LEU 107 3HD1 LEU 107 -12.133 11.535 -1.391 848 HD21 LEU 107 3HD2 LEU 107 -12.407 8.038 -0.079 849 HD22 LEU 107 1HD2 LEU 107 -10.878 8.637 0.563 850 HD23 LEU 107 2HD2 LEU 107 -10.880 7.500 -0.782 851 H THR 108 H THR 108 -13.587 6.368 -3.327 852 HA THR 108 HA THR 108 -13.829 5.886 -6.138 853 HB THR 108 HB THR 108 -15.912 5.317 -4.010 854 HG1 THR 108 HG1 THR 108 -13.813 3.626 -4.961 855 HG21 THR 108 3HG2 THR 108 -16.747 5.140 -6.315 856 HG22 THR 108 1HG2 THR 108 -16.641 3.549 -5.556 857 HG23 THR 108 2HG2 THR 108 -15.413 4.055 -6.718 858 H LEU 109 H LEU 109 -14.934 6.964 -7.641 859 HA LEU 109 HA LEU 109 -16.277 9.411 -7.053 860 HB2 LEU 109 2HB LEU 109 -16.137 7.803 -9.606 861 HB3 LEU 109 1HB LEU 109 -16.812 9.419 -9.488 862 HG LEU 109 HG LEU 109 -13.932 8.700 -8.900 863 HD11 LEU 109 1HD1 LEU 109 -14.440 8.458 -11.270 864 HD12 LEU 109 2HD1 LEU 109 -13.419 9.866 -10.987 865 HD13 LEU 109 3HD1 LEU 109 -15.142 10.077 -11.299 866 HD21 LEU 109 3HD2 LEU 109 -14.731 10.619 -7.609 867 HD22 LEU 109 1HD2 LEU 109 -15.297 11.390 -9.090 868 HD23 LEU 109 2HD2 LEU 109 -13.571 11.114 -8.840 869 H GLU 110 H GLU 110 -17.459 6.329 -8.358 870 HA GLU 110 HA GLU 110 -20.225 7.156 -8.028 871 HB2 GLU 110 2HB GLU 110 -18.970 4.630 -9.101 872 HB3 GLU 110 1HB GLU 110 -20.709 4.853 -8.960 873 HG2 GLU 110 2HG GLU 110 -18.872 6.617 -10.574 874 HG3 GLU 110 1HG GLU 110 -19.844 5.299 -11.227 Start of MODEL 13 1 H1 MET 1 1H MET 1 -34.707 -24.307 -13.657 2 H2 MET 1 2H MET 1 -36.352 -24.454 -13.299 3 H3 MET 1 3H MET 1 -35.216 -24.399 -12.048 4 HA MET 1 HA MET 1 -35.788 -22.208 -13.952 5 HB2 MET 1 2HB MET 1 -36.590 -22.593 -11.059 6 HB3 MET 1 1HB MET 1 -36.702 -21.054 -11.903 7 HG2 MET 1 2HG MET 1 -38.186 -23.593 -12.539 8 HG3 MET 1 1HG MET 1 -38.855 -22.081 -11.926 9 HE1 MET 1 3HE MET 1 -40.692 -21.951 -13.809 10 HE2 MET 1 1HE MET 1 -40.138 -23.509 -14.425 11 HE3 MET 1 2HE MET 1 -40.350 -22.150 -15.528 12 H MET 2 H MET 2 -34.737 -20.225 -13.483 13 HA MET 2 HA MET 2 -32.908 -18.948 -13.142 14 HB2 MET 2 2HB MET 2 -32.705 -20.537 -10.575 15 HB3 MET 2 1HB MET 2 -31.797 -19.070 -10.921 16 HG2 MET 2 2HG MET 2 -33.952 -17.861 -11.158 17 HG3 MET 2 1HG MET 2 -34.785 -19.332 -10.660 18 HE1 MET 2 3HE MET 2 -36.005 -18.008 -8.726 19 HE2 MET 2 1HE MET 2 -35.179 -16.519 -9.192 20 HE3 MET 2 2HE MET 2 -35.165 -17.048 -7.509 21 H ARG 3 H ARG 3 -32.160 -20.345 -15.015 22 HA ARG 3 HA ARG 3 -29.887 -22.059 -14.455 23 HB2 ARG 3 2HB ARG 3 -31.305 -22.607 -16.357 24 HB3 ARG 3 1HB ARG 3 -31.047 -21.014 -17.055 25 HG2 ARG 3 2HG ARG 3 -29.723 -22.653 -18.231 26 HG3 ARG 3 1HG ARG 3 -28.665 -21.541 -17.364 27 HD2 ARG 3 2HD ARG 3 -28.456 -23.227 -15.551 28 HD3 ARG 3 1HD ARG 3 -29.423 -24.341 -16.519 29 HE ARG 3 HE ARG 3 -27.076 -23.295 -17.839 30 HH11 ARG 3 1HH1 ARG 3 -28.383 -25.836 -15.917 31 HH12 ARG 3 2HH1 ARG 3 -27.136 -26.952 -16.351 32 HH21 ARG 3 1HH2 ARG 3 -25.465 -24.731 -18.374 33 HH22 ARG 3 2HH2 ARG 3 -25.499 -26.331 -17.711 34 H LEU 4 H LEU 4 -28.088 -21.071 -13.731 35 HA LEU 4 HA LEU 4 -27.391 -18.377 -14.245 36 HB2 LEU 4 2HB LEU 4 -25.827 -20.706 -13.143 37 HB3 LEU 4 1HB LEU 4 -25.091 -19.133 -13.369 38 HG LEU 4 HG LEU 4 -25.759 -19.413 -11.057 39 HD11 LEU 4 1HD1 LEU 4 -27.110 -17.407 -10.766 40 HD12 LEU 4 2HD1 LEU 4 -27.550 -17.439 -12.473 41 HD13 LEU 4 3HD1 LEU 4 -25.872 -17.170 -11.998 42 HD21 LEU 4 3HD2 LEU 4 -28.108 -19.641 -10.405 43 HD22 LEU 4 1HD2 LEU 4 -27.556 -21.029 -11.340 44 HD23 LEU 4 2HD2 LEU 4 -28.567 -19.800 -12.100 45 H ALA 5 H ALA 5 -26.066 -17.424 -15.712 46 HA ALA 5 HA ALA 5 -25.548 -18.834 -18.159 47 HB1 ALA 5 3HB ALA 5 -26.291 -16.508 -18.167 48 HB2 ALA 5 1HB ALA 5 -24.737 -16.679 -18.985 49 HB3 ALA 5 2HB ALA 5 -24.807 -16.019 -17.350 50 H ASN 6 H ASN 6 -23.789 -19.927 -18.674 51 HA ASN 6 HA ASN 6 -21.245 -19.380 -17.269 52 HB2 ASN 6 2HB ASN 6 -22.290 -21.947 -18.496 53 HB3 ASN 6 1HB ASN 6 -20.666 -21.749 -17.843 54 HD21 ASN 6 1HD2 ASN 6 -23.106 -23.379 -17.074 55 HD22 ASN 6 2HD2 ASN 6 -23.275 -23.083 -15.383 56 H GLY 7 H GLY 7 -19.383 -20.502 -18.794 57 HA2 GLY 7 2HA GLY 7 -19.359 -20.467 -21.504 58 HA3 GLY 7 1HA GLY 7 -19.302 -18.757 -21.110 59 H ILE 8 H ILE 8 -17.562 -18.260 -19.347 60 HA ILE 8 HA ILE 8 -15.075 -19.699 -20.063 61 HB ILE 8 HB ILE 8 -13.857 -17.572 -19.729 62 HG12 ILE 8 2HG1 ILE 8 -16.623 -16.332 -19.513 63 HG13 ILE 8 1HG1 ILE 8 -15.478 -16.499 -18.186 64 HG21 ILE 8 1HG2 ILE 8 -16.080 -17.403 -21.774 65 HG22 ILE 8 2HG2 ILE 8 -14.542 -18.243 -21.978 66 HG23 ILE 8 3HG2 ILE 8 -14.570 -16.487 -21.812 67 HD11 ILE 8 3HD1 ILE 8 -15.104 -14.829 -20.664 68 HD12 ILE 8 1HD1 ILE 8 -13.914 -15.025 -19.375 69 HD13 ILE 8 2HD1 ILE 8 -15.461 -14.244 -19.038 70 H VAL 9 H VAL 9 -13.271 -19.193 -18.383 71 HA VAL 9 HA VAL 9 -13.938 -20.236 -15.893 72 HB VAL 9 HB VAL 9 -11.666 -20.313 -16.719 73 HG11 VAL 9 1HG1 VAL 9 -10.221 -18.327 -16.782 74 HG12 VAL 9 2HG1 VAL 9 -11.602 -17.314 -16.362 75 HG13 VAL 9 3HG1 VAL 9 -11.582 -18.185 -17.896 76 HG21 VAL 9 3HG2 VAL 9 -11.840 -18.712 -14.160 77 HG22 VAL 9 1HG2 VAL 9 -10.442 -19.648 -14.691 78 HG23 VAL 9 2HG2 VAL 9 -11.959 -20.466 -14.309 79 H LEU 10 H LEU 10 -15.198 -19.387 -14.367 80 HA LEU 10 HA LEU 10 -16.051 -16.719 -14.319 81 HB2 LEU 10 2HB LEU 10 -17.072 -17.294 -12.118 82 HB3 LEU 10 1HB LEU 10 -17.477 -18.383 -13.427 83 HG LEU 10 HG LEU 10 -15.562 -19.874 -12.473 84 HD11 LEU 10 1HD1 LEU 10 -14.633 -18.293 -10.892 85 HD12 LEU 10 2HD1 LEU 10 -15.289 -19.686 -10.035 86 HD13 LEU 10 3HD1 LEU 10 -16.185 -18.166 -10.062 87 HD21 LEU 10 3HD2 LEU 10 -18.203 -19.546 -11.048 88 HD22 LEU 10 1HD2 LEU 10 -17.155 -20.962 -10.947 89 HD23 LEU 10 2HD2 LEU 10 -17.894 -20.522 -12.485 90 H ASP 11 H ASP 11 -13.269 -18.174 -12.863 91 HA ASP 11 HA ASP 11 -12.696 -16.355 -10.822 92 HB2 ASP 11 2HB ASP 11 -10.764 -17.822 -12.637 93 HB3 ASP 11 1HB ASP 11 -10.344 -17.064 -11.103 94 H LYS 12 H LYS 12 -12.355 -16.014 -14.289 95 HA LYS 12 HA LYS 12 -11.049 -13.392 -13.969 96 HB2 LYS 12 2HB LYS 12 -11.564 -15.054 -16.450 97 HB3 LYS 12 1HB LYS 12 -10.800 -13.469 -16.452 98 HG2 LYS 12 2HG LYS 12 -9.010 -14.384 -14.994 99 HG3 LYS 12 1HG LYS 12 -9.746 -15.979 -15.155 100 HD2 LYS 12 2HD LYS 12 -9.403 -15.920 -17.567 101 HD3 LYS 12 1HD LYS 12 -8.738 -14.291 -17.454 102 HE2 LYS 12 2HE LYS 12 -6.950 -15.915 -17.668 103 HE3 LYS 12 1HE LYS 12 -6.892 -15.161 -16.076 104 HZ1 LYS 12 3HZ LYS 12 -8.049 -17.826 -16.684 105 HZ2 LYS 12 1HZ LYS 12 -7.979 -17.107 -15.157 106 HZ3 LYS 12 2HZ LYS 12 -6.555 -17.549 -15.951 107 H ASP 13 H ASP 13 -14.123 -14.775 -14.462 108 HA ASP 13 HA ASP 13 -15.337 -12.646 -15.928 109 HB2 ASP 13 2HB ASP 13 -16.296 -14.914 -15.877 110 HB3 ASP 13 1HB ASP 13 -16.616 -14.745 -14.154 111 H THR 14 H THR 14 -14.971 -13.373 -12.480 112 HA THR 14 HA THR 14 -16.558 -11.077 -11.682 113 HB THR 14 HB THR 14 -16.629 -13.064 -10.271 114 HG1 THR 14 HG1 THR 14 -15.272 -11.439 -8.508 115 HG21 THR 14 3HG2 THR 14 -14.344 -13.895 -10.669 116 HG22 THR 14 1HG2 THR 14 -14.710 -13.784 -8.948 117 HG23 THR 14 2HG2 THR 14 -13.701 -12.560 -9.714 118 H THR 15 H THR 15 -15.836 -9.108 -11.010 119 HA THR 15 HA THR 15 -12.909 -8.636 -11.026 120 HB THR 15 HB THR 15 -13.332 -6.400 -12.035 121 HG1 THR 15 HG1 THR 15 -15.887 -7.213 -12.866 122 HG21 THR 15 3HG2 THR 15 -12.670 -8.273 -13.476 123 HG22 THR 15 1HG2 THR 15 -13.762 -7.176 -14.322 124 HG23 THR 15 2HG2 THR 15 -14.365 -8.712 -13.695 125 H PHE 16 H PHE 16 -12.886 -5.955 -10.344 126 HA PHE 16 HA PHE 16 -13.516 -6.180 -7.510 127 HB2 PHE 16 2HB PHE 16 -11.983 -4.025 -8.983 128 HB3 PHE 16 1HB PHE 16 -12.091 -4.208 -7.237 129 HD1 PHE 16 HD1 PHE 16 -11.209 -6.437 -6.252 130 HD2 PHE 16 HD2 PHE 16 -10.239 -5.022 -10.153 131 HE1 PHE 16 HE1 PHE 16 -9.219 -7.882 -6.281 132 HE2 PHE 16 HE2 PHE 16 -8.247 -6.465 -10.181 133 HZ PHE 16 HZ PHE 16 -7.737 -7.897 -8.245 134 H GLY 17 H GLY 17 -15.741 -5.810 -7.346 135 HA2 GLY 17 2HA GLY 17 -17.026 -3.489 -8.412 136 HA3 GLY 17 1HA GLY 17 -17.668 -4.544 -7.164 137 H GLU 18 H GLU 18 -17.607 -3.866 -5.041 138 HA GLU 18 HA GLU 18 -16.761 -1.190 -4.439 139 HB2 GLU 18 2HB GLU 18 -17.796 -3.447 -2.725 140 HB3 GLU 18 1HB GLU 18 -17.329 -1.895 -2.052 141 HG2 GLU 18 2HG GLU 18 -19.040 -0.770 -3.312 142 HG3 GLU 18 1HG GLU 18 -19.446 -2.264 -4.159 143 H LEU 19 H LEU 19 -14.733 -0.601 -4.046 144 HA LEU 19 HA LEU 19 -12.971 -2.412 -2.509 145 HB2 LEU 19 2HB LEU 19 -12.230 -0.092 -4.313 146 HB3 LEU 19 1HB LEU 19 -11.091 -1.054 -3.390 147 HG LEU 19 HG LEU 19 -12.833 -2.090 -5.638 148 HD11 LEU 19 1HD1 LEU 19 -9.870 -1.483 -5.555 149 HD12 LEU 19 2HD1 LEU 19 -11.098 -0.619 -6.484 150 HD13 LEU 19 3HD1 LEU 19 -10.715 -2.293 -6.876 151 HD21 LEU 19 3HD2 LEU 19 -11.567 -4.143 -5.443 152 HD22 LEU 19 1HD2 LEU 19 -12.351 -3.777 -3.908 153 HD23 LEU 19 2HD2 LEU 19 -10.625 -3.474 -4.109 154 H LYS 20 H LYS 20 -12.847 -1.864 -0.405 155 HA LYS 20 HA LYS 20 -13.119 0.992 0.296 156 HB2 LYS 20 2HB LYS 20 -14.492 -1.373 1.568 157 HB3 LYS 20 1HB LYS 20 -14.339 0.180 2.390 158 HG2 LYS 20 2HG LYS 20 -15.588 1.291 0.672 159 HG3 LYS 20 1HG LYS 20 -15.600 -0.158 -0.331 160 HD2 LYS 20 2HD LYS 20 -16.894 0.016 2.391 161 HD3 LYS 20 1HD LYS 20 -17.745 0.315 0.877 162 HE2 LYS 20 2HE LYS 20 -17.007 -2.001 0.153 163 HE3 LYS 20 1HE LYS 20 -16.490 -2.259 1.819 164 HZ1 LYS 20 3HZ LYS 20 -19.245 -1.675 0.881 165 HZ2 LYS 20 1HZ LYS 20 -18.788 -1.746 2.511 166 HZ3 LYS 20 2HZ LYS 20 -18.680 -3.125 1.540 167 H PHE 21 H PHE 21 -11.694 1.838 1.600 168 HA PHE 21 HA PHE 21 -9.317 0.451 2.273 169 HB2 PHE 21 2HB PHE 21 -9.365 2.834 1.692 170 HB3 PHE 21 1HB PHE 21 -10.308 3.178 3.134 171 HD1 PHE 21 HD2 PHE 21 -7.003 1.998 1.947 172 HD2 PHE 21 HD1 PHE 21 -9.248 3.563 5.215 173 HE1 PHE 21 HE2 PHE 21 -4.923 2.360 3.205 174 HE2 PHE 21 HE1 PHE 21 -7.163 3.927 6.471 175 HZ PHE 21 HZ PHE 21 -5.000 3.324 5.466 176 H SER 22 H SER 22 -8.572 -0.407 4.175 177 HA SER 22 HA SER 22 -10.397 -0.291 6.508 178 HB2 SER 22 2HB SER 22 -8.390 -2.441 5.773 179 HB3 SER 22 1HB SER 22 -9.381 -2.432 7.232 180 HG SER 22 HG SER 22 -10.750 -2.128 4.841 181 H ALA 23 H ALA 23 -6.892 -0.883 5.947 182 HA ALA 23 HA ALA 23 -6.147 1.244 7.741 183 HB1 ALA 23 3HB ALA 23 -5.055 -0.169 9.425 184 HB2 ALA 23 1HB ALA 23 -5.690 -1.607 8.626 185 HB3 ALA 23 2HB ALA 23 -6.794 -0.452 9.369 186 H LEU 24 H LEU 24 -3.773 1.333 8.100 187 HA LEU 24 HA LEU 24 -2.250 0.619 5.748 188 HB2 LEU 24 2HB LEU 24 -1.857 2.759 6.824 189 HB3 LEU 24 1HB LEU 24 -1.507 1.972 8.351 190 HG LEU 24 HG LEU 24 0.530 0.966 7.331 191 HD11 LEU 24 1HD1 LEU 24 -0.105 2.747 4.979 192 HD12 LEU 24 2HD1 LEU 24 -0.207 0.986 4.994 193 HD13 LEU 24 3HD1 LEU 24 1.355 1.779 5.199 194 HD21 LEU 24 3HD2 LEU 24 0.694 3.023 8.630 195 HD22 LEU 24 1HD2 LEU 24 0.372 3.982 7.185 196 HD23 LEU 24 2HD2 LEU 24 1.853 3.030 7.300 197 H ARG 25 H ARG 25 -1.509 -1.409 5.514 198 HA ARG 25 HA ARG 25 -1.247 -3.262 7.652 199 HB2 ARG 25 2HB ARG 25 -1.777 -4.027 5.412 200 HB3 ARG 25 1HB ARG 25 -0.272 -3.370 4.791 201 HG2 ARG 25 2HG ARG 25 -0.032 -5.737 4.975 202 HG3 ARG 25 1HG ARG 25 0.964 -4.992 6.224 203 HD2 ARG 25 2HD ARG 25 -0.170 -6.899 7.155 204 HD3 ARG 25 1HD ARG 25 -0.840 -5.433 7.866 205 HE ARG 25 HE ARG 25 -2.789 -5.721 6.480 206 HH11 ARG 25 1HH1 ARG 25 -0.640 -8.418 6.499 207 HH12 ARG 25 2HH1 ARG 25 -1.871 -9.531 6.019 208 HH21 ARG 25 1HH2 ARG 25 -4.340 -7.159 5.894 209 HH22 ARG 25 2HH2 ARG 25 -3.938 -8.832 5.683 210 H ARG 26 H ARG 26 1.211 -1.633 5.623 211 HA ARG 26 HA ARG 26 3.063 -1.288 7.730 212 HB2 ARG 26 2HB ARG 26 3.347 -3.702 7.659 213 HB3 ARG 26 1HB ARG 26 3.588 -3.662 5.917 214 HG2 ARG 26 2HG ARG 26 5.648 -2.301 6.301 215 HG3 ARG 26 1HG ARG 26 5.427 -2.554 8.031 216 HD2 ARG 26 2HD ARG 26 5.845 -4.705 5.953 217 HD3 ARG 26 1HD ARG 26 7.047 -4.129 7.107 218 HE ARG 26 HE ARG 26 4.574 -5.244 8.181 219 HH11 ARG 26 1HH1 ARG 26 7.935 -5.648 7.532 220 HH12 ARG 26 2HH1 ARG 26 8.079 -7.020 8.569 221 HH21 ARG 26 1HH2 ARG 26 4.779 -7.000 9.500 222 HH22 ARG 26 2HH2 ARG 26 6.320 -7.759 9.694 223 H GLU 27 H GLU 27 4.464 0.283 7.138 224 HA GLU 27 HA GLU 27 4.945 0.809 4.296 225 HB2 GLU 27 2HB GLU 27 6.013 2.294 6.715 226 HB3 GLU 27 1HB GLU 27 6.092 2.823 5.040 227 HG2 GLU 27 2HG GLU 27 3.697 3.097 4.966 228 HG3 GLU 27 1HG GLU 27 3.539 2.436 6.596 229 H VAL 28 H VAL 28 6.352 -0.754 3.538 230 HA VAL 28 HA VAL 28 8.522 -1.766 5.096 231 HB VAL 28 HB VAL 28 9.273 -2.894 3.031 232 HG11 VAL 28 1HG1 VAL 28 7.269 -4.295 2.700 233 HG12 VAL 28 2HG1 VAL 28 6.305 -3.102 3.568 234 HG13 VAL 28 3HG1 VAL 28 7.590 -3.976 4.405 235 HG21 VAL 28 3HG2 VAL 28 8.708 -1.164 1.397 236 HG22 VAL 28 1HG2 VAL 28 6.990 -1.427 1.693 237 HG23 VAL 28 2HG2 VAL 28 7.965 -2.702 0.961 238 H ARG 29 H ARG 29 10.555 -1.032 5.304 239 HA ARG 29 HA ARG 29 11.223 1.448 3.885 240 HB2 ARG 29 2HB ARG 29 12.113 0.297 6.522 241 HB3 ARG 29 1HB ARG 29 12.974 1.629 5.757 242 HG2 ARG 29 2HG ARG 29 10.875 2.937 5.741 243 HG3 ARG 29 1HG ARG 29 10.077 1.622 6.603 244 HD2 ARG 29 2HD ARG 29 11.345 1.970 8.544 245 HD3 ARG 29 1HD ARG 29 12.566 2.909 7.686 246 HE ARG 29 HE ARG 29 10.574 4.544 7.390 247 HH11 ARG 29 1HH1 ARG 29 11.228 2.630 10.167 248 HH12 ARG 29 2HH1 ARG 29 10.608 3.806 11.271 249 HH21 ARG 29 1HH2 ARG 29 9.779 6.060 8.796 250 HH22 ARG 29 2HH2 ARG 29 9.769 5.726 10.495 251 H ILE 30 H ILE 30 13.611 1.853 3.603 252 HA ILE 30 HA ILE 30 14.634 -0.114 1.798 253 HB ILE 30 HB ILE 30 15.946 2.422 2.810 254 HG12 ILE 30 2HG1 ILE 30 14.301 1.979 0.299 255 HG13 ILE 30 1HG1 ILE 30 13.722 2.789 1.751 256 HG21 ILE 30 1HG2 ILE 30 16.538 0.734 0.371 257 HG22 ILE 30 2HG2 ILE 30 17.560 0.913 1.799 258 HG23 ILE 30 3HG2 ILE 30 17.280 2.292 0.739 259 HD11 ILE 30 3HD1 ILE 30 15.394 4.538 1.444 260 HD12 ILE 30 1HD1 ILE 30 14.340 4.387 0.040 261 HD13 ILE 30 2HD1 ILE 30 15.977 3.728 -0.013 262 H GLN 31 H GLN 31 15.642 -1.902 2.506 263 HA GLN 31 HA GLN 31 17.068 -1.937 5.027 264 HB2 GLN 31 2HB GLN 31 15.645 -3.835 4.370 265 HB3 GLN 31 1HB GLN 31 16.668 -4.124 2.971 266 HG2 GLN 31 2HG GLN 31 18.521 -4.726 4.386 267 HG3 GLN 31 1HG GLN 31 17.608 -4.289 5.830 268 HE21 GLN 31 1HE2 GLN 31 17.806 -6.349 6.695 269 HE22 GLN 31 2HE2 GLN 31 16.936 -7.704 6.076 270 H ASN 32 H ASN 32 19.107 -1.292 5.173 271 HA ASN 32 HA ASN 32 20.805 -0.644 3.066 272 HB2 ASN 32 2HB ASN 32 21.594 -1.433 5.883 273 HB3 ASN 32 1HB ASN 32 22.591 -0.521 4.752 274 HD21 ASN 32 1HD2 ASN 32 21.556 0.190 7.412 275 HD22 ASN 32 2HD2 ASN 32 20.689 1.663 7.187 276 H GLU 33 H GLU 33 22.554 -1.669 2.082 277 HA GLU 33 HA GLU 33 22.341 -4.378 1.499 278 HB2 GLU 33 2HB GLU 33 24.591 -4.152 0.480 279 HB3 GLU 33 1HB GLU 33 23.486 -2.866 0.019 280 HG2 GLU 33 2HG GLU 33 24.568 -1.445 1.802 281 HG3 GLU 33 1HG GLU 33 25.787 -2.710 1.958 282 H ASP 34 H ASP 34 24.018 -2.854 4.145 283 HA ASP 34 HA ASP 34 25.681 -4.907 5.032 284 HB2 ASP 34 2HB ASP 34 24.031 -2.977 6.690 285 HB3 ASP 34 1HB ASP 34 25.405 -3.910 7.278 286 H GLY 35 H GLY 35 22.192 -4.505 5.405 287 HA2 GLY 35 2HA GLY 35 21.000 -6.728 5.542 288 HA3 GLY 35 1HA GLY 35 22.066 -7.064 6.896 289 H SER 36 H SER 36 21.699 -4.038 7.556 290 HA SER 36 HA SER 36 19.320 -4.448 9.218 291 HB2 SER 36 2HB SER 36 21.419 -2.263 9.314 292 HB3 SER 36 1HB SER 36 20.100 -2.466 10.466 293 HG SER 36 HG SER 36 22.474 -3.881 10.205 294 H VAL 37 H VAL 37 17.602 -2.939 9.346 295 HA VAL 37 HA VAL 37 16.957 -1.757 6.781 296 HB VAL 37 HB VAL 37 15.301 -1.762 9.315 297 HG11 VAL 37 1HG1 VAL 37 13.397 -1.462 7.783 298 HG12 VAL 37 2HG1 VAL 37 14.517 -1.356 6.423 299 HG13 VAL 37 3HG1 VAL 37 14.542 -0.124 7.684 300 HG21 VAL 37 3HG2 VAL 37 15.890 -4.044 8.692 301 HG22 VAL 37 1HG2 VAL 37 15.332 -3.754 7.044 302 HG23 VAL 37 2HG2 VAL 37 14.180 -3.742 8.378 303 H SER 38 H SER 38 16.589 0.402 6.330 304 HA SER 38 HA SER 38 17.817 2.334 8.158 305 HB2 SER 38 2HB SER 38 18.569 2.366 5.826 306 HB3 SER 38 1HB SER 38 16.918 2.637 5.279 307 HG SER 38 HG SER 38 18.483 4.514 5.609 308 H ASP 39 H ASP 39 16.730 4.641 7.907 309 HA ASP 39 HA ASP 39 14.019 4.396 8.921 310 HB2 ASP 39 2HB ASP 39 15.809 6.811 8.557 311 HB3 ASP 39 1HB ASP 39 14.222 6.846 9.322 312 H GLU 40 H GLU 40 15.563 5.188 5.938 313 HA GLU 40 HA GLU 40 13.472 6.733 4.764 314 HB2 GLU 40 2HB GLU 40 15.618 5.067 3.420 315 HB3 GLU 40 1HB GLU 40 14.613 6.275 2.628 316 HG2 GLU 40 2HG GLU 40 15.588 8.005 4.101 317 HG3 GLU 40 1HG GLU 40 16.642 6.776 4.800 318 H ILE 41 H ILE 41 11.705 6.105 3.557 319 HA ILE 41 HA ILE 41 10.890 3.327 3.934 320 HB ILE 41 HB ILE 41 9.273 5.699 2.971 321 HG12 ILE 41 2HG1 ILE 41 9.399 4.303 5.664 322 HG13 ILE 41 1HG1 ILE 41 9.941 5.940 5.305 323 HG21 ILE 41 1HG2 ILE 41 8.384 2.899 3.692 324 HG22 ILE 41 2HG2 ILE 41 8.364 3.622 2.083 325 HG23 ILE 41 3HG2 ILE 41 7.307 4.253 3.346 326 HD11 ILE 41 3HD1 ILE 41 7.814 5.937 6.467 327 HD12 ILE 41 1HD1 ILE 41 7.096 4.964 5.184 328 HD13 ILE 41 2HD1 ILE 41 7.647 6.605 4.844 329 H LYS 42 H LYS 42 10.261 1.951 2.326 330 HA LYS 42 HA LYS 42 11.266 2.530 -0.367 331 HB2 LYS 42 2HB LYS 42 12.052 0.509 0.852 332 HB3 LYS 42 1HB LYS 42 10.400 -0.080 0.910 333 HG2 LYS 42 2HG LYS 42 11.562 -1.235 -0.825 334 HG3 LYS 42 1HG LYS 42 10.385 -0.153 -1.570 335 HD2 LYS 42 2HD LYS 42 12.097 1.416 -2.164 336 HD3 LYS 42 1HD LYS 42 13.302 0.542 -1.215 337 HE2 LYS 42 2HE LYS 42 13.530 0.101 -3.628 338 HE3 LYS 42 1HE LYS 42 13.153 -1.361 -2.721 339 HZ1 LYS 42 3HZ LYS 42 10.849 -1.151 -3.402 340 HZ2 LYS 42 1HZ LYS 42 11.863 -1.213 -4.750 341 HZ3 LYS 42 2HZ LYS 42 11.204 0.263 -4.265 342 H GLU 43 H GLU 43 8.440 0.839 1.062 343 HA GLU 43 HA GLU 43 6.647 2.162 -0.826 344 HB2 GLU 43 2HB GLU 43 6.713 -0.860 -0.557 345 HB3 GLU 43 1HB GLU 43 5.601 0.071 -1.553 346 HG2 GLU 43 2HG GLU 43 7.579 0.899 -2.840 347 HG3 GLU 43 1HG GLU 43 8.575 -0.227 -1.927 348 H ARG 44 H ARG 44 4.287 1.481 -0.318 349 HA ARG 44 HA ARG 44 3.912 1.182 2.598 350 HB2 ARG 44 2HB ARG 44 2.597 3.188 0.749 351 HB3 ARG 44 1HB ARG 44 2.034 2.853 2.382 352 HG2 ARG 44 2HG ARG 44 4.086 3.669 3.323 353 HG3 ARG 44 1HG ARG 44 4.803 3.846 1.721 354 HD2 ARG 44 2HD ARG 44 3.285 5.612 1.158 355 HD3 ARG 44 1HD ARG 44 2.328 5.326 2.611 356 HE ARG 44 HE ARG 44 4.310 6.094 3.887 357 HH11 ARG 44 1HH1 ARG 44 3.961 7.064 0.585 358 HH12 ARG 44 2HH1 ARG 44 4.912 8.490 0.799 359 HH21 ARG 44 1HH2 ARG 44 5.496 7.949 4.137 360 HH22 ARG 44 2HH2 ARG 44 5.741 9.000 2.786 361 H THR 45 H THR 45 2.646 -0.510 3.047 362 HA THR 45 HA THR 45 0.877 -1.620 0.972 363 HB THR 45 HB THR 45 1.871 -2.903 3.542 364 HG1 THR 45 HG1 THR 45 2.719 -3.163 0.823 365 HG21 THR 45 3HG2 THR 45 0.383 -4.087 1.177 366 HG22 THR 45 1HG2 THR 45 -0.257 -3.867 2.808 367 HG23 THR 45 2HG2 THR 45 1.059 -5.006 2.522 368 H TYR 46 H TYR 46 -1.306 -1.663 1.187 369 HA TYR 46 HA TYR 46 -2.524 -0.953 3.794 370 HB2 TYR 46 2HB TYR 46 -3.617 -0.179 1.074 371 HB3 TYR 46 1HB TYR 46 -4.227 0.326 2.643 372 HD1 TYR 46 HD2 TYR 46 -1.594 0.816 0.136 373 HD2 TYR 46 HD1 TYR 46 -3.150 2.121 3.875 374 HE1 TYR 46 HE2 TYR 46 -0.213 2.839 -0.005 375 HE2 TYR 46 HE1 TYR 46 -1.776 4.156 3.743 376 HH TYR 46 HH TYR 46 -0.064 5.030 0.858 377 H ASP 47 H ASP 47 -4.636 -1.857 4.209 378 HA ASP 47 HA ASP 47 -5.265 -4.282 2.661 379 HB2 ASP 47 2HB ASP 47 -6.158 -3.336 5.393 380 HB3 ASP 47 1HB ASP 47 -6.882 -4.720 4.584 381 H LEU 48 H LEU 48 -6.854 -4.217 1.168 382 HA LEU 48 HA LEU 48 -9.083 -2.307 1.575 383 HB2 LEU 48 2HB LEU 48 -8.040 -3.359 -1.066 384 HB3 LEU 48 1HB LEU 48 -9.368 -2.232 -0.858 385 HG LEU 48 HG LEU 48 -6.438 -1.717 -0.321 386 HD11 LEU 48 1HD1 LEU 48 -8.371 -0.428 -2.251 387 HD12 LEU 48 2HD1 LEU 48 -7.160 -1.636 -2.675 388 HD13 LEU 48 3HD1 LEU 48 -6.655 -0.059 -2.073 389 HD21 LEU 48 3HD2 LEU 48 -7.112 0.569 0.296 390 HD22 LEU 48 1HD2 LEU 48 -7.734 -0.632 1.427 391 HD23 LEU 48 2HD2 LEU 48 -8.806 0.083 0.223 392 H LYS 49 H LYS 49 -11.082 -3.158 1.788 393 HA LYS 49 HA LYS 49 -11.555 -5.990 1.384 394 HB2 LYS 49 2HB LYS 49 -13.113 -3.719 2.520 395 HB3 LYS 49 1HB LYS 49 -14.043 -5.041 1.836 396 HG2 LYS 49 2HG LYS 49 -13.805 -5.411 4.182 397 HG3 LYS 49 1HG LYS 49 -12.844 -6.614 3.328 398 HD2 LYS 49 2HD LYS 49 -10.811 -5.389 3.805 399 HD3 LYS 49 1HD LYS 49 -11.737 -4.073 4.532 400 HE2 LYS 49 2HE LYS 49 -12.569 -5.674 6.243 401 HE3 LYS 49 1HE LYS 49 -11.510 -6.906 5.558 402 HZ1 LYS 49 3HZ LYS 49 -10.610 -4.317 6.701 403 HZ2 LYS 49 1HZ LYS 49 -9.609 -5.542 6.102 404 HZ3 LYS 49 2HZ LYS 49 -10.536 -5.810 7.490 405 H SER 50 H SER 50 -11.932 -6.805 -0.581 406 HA SER 50 HA SER 50 -13.275 -5.153 -2.616 407 HB2 SER 50 2HB SER 50 -11.148 -6.177 -3.307 408 HB3 SER 50 1HB SER 50 -11.780 -7.776 -2.920 409 HG SER 50 HG SER 50 -12.101 -6.305 -5.165 410 H LYS 51 H LYS 51 -15.440 -5.350 -2.541 411 HA LYS 51 HA LYS 51 -16.810 -7.657 -1.585 412 HB2 LYS 51 2HB LYS 51 -17.814 -5.445 -1.438 413 HB3 LYS 51 1HB LYS 51 -17.807 -5.289 -3.187 414 HG2 LYS 51 2HG LYS 51 -20.038 -5.795 -2.354 415 HG3 LYS 51 1HG LYS 51 -19.433 -7.098 -3.377 416 HD2 LYS 51 2HD LYS 51 -20.558 -8.010 -1.420 417 HD3 LYS 51 1HD LYS 51 -18.837 -8.388 -1.364 418 HE2 LYS 51 2HE LYS 51 -18.480 -6.555 0.213 419 HE3 LYS 51 1HE LYS 51 -20.192 -6.141 0.137 420 HZ1 LYS 51 3HZ LYS 51 -19.619 -7.475 2.095 421 HZ2 LYS 51 1HZ LYS 51 -19.123 -8.742 1.091 422 HZ3 LYS 51 2HZ LYS 51 -20.742 -8.257 1.101 423 H GLY 52 H GLY 52 -16.010 -6.504 -4.837 424 HA2 GLY 52 2HA GLY 52 -17.537 -8.412 -6.281 425 HA3 GLY 52 1HA GLY 52 -16.171 -7.505 -6.906 426 H GLN 53 H GLN 53 -14.187 -8.474 -5.111 427 HA GLN 53 HA GLN 53 -13.716 -11.095 -6.290 428 HB2 GLN 53 2HB GLN 53 -11.954 -9.337 -6.260 429 HB3 GLN 53 1HB GLN 53 -11.930 -9.422 -4.506 430 HG2 GLN 53 2HG GLN 53 -10.072 -10.662 -5.367 431 HG3 GLN 53 1HG GLN 53 -11.235 -11.796 -4.674 432 HE21 GLN 53 1HE2 GLN 53 -9.818 -10.585 -7.603 433 HE22 GLN 53 2HE2 GLN 53 -10.348 -11.869 -8.626 434 H GLY 54 H GLY 54 -14.762 -9.793 -3.272 435 HA2 GLY 54 2HA GLY 54 -15.415 -10.797 -1.305 436 HA3 GLY 54 1HA GLY 54 -15.219 -12.352 -2.098 437 H ARG 55 H ARG 55 -12.605 -10.047 -1.870 438 HA ARG 55 HA ARG 55 -11.279 -11.675 0.202 439 HB2 ARG 55 2HB ARG 55 -10.005 -10.810 -2.410 440 HB3 ARG 55 1HB ARG 55 -9.184 -11.643 -1.100 441 HG2 ARG 55 2HG ARG 55 -11.473 -12.789 -2.690 442 HG3 ARG 55 1HG ARG 55 -9.768 -13.097 -3.015 443 HD2 ARG 55 2HD ARG 55 -9.551 -14.031 -0.723 444 HD3 ARG 55 1HD ARG 55 -11.291 -13.819 -0.507 445 HE ARG 55 HE ARG 55 -10.934 -15.296 -2.825 446 HH11 ARG 55 1HH1 ARG 55 -10.340 -15.654 0.550 447 HH12 ARG 55 2HH1 ARG 55 -10.450 -17.378 0.490 448 HH21 ARG 55 1HH2 ARG 55 -11.068 -17.506 -2.891 449 HH22 ARG 55 2HH2 ARG 55 -10.848 -18.414 -1.435 450 H MET 56 H MET 56 -9.550 -10.595 1.332 451 HA MET 56 HA MET 56 -9.553 -7.668 1.136 452 HB2 MET 56 2HB MET 56 -8.140 -9.507 3.086 453 HB3 MET 56 1HB MET 56 -8.080 -7.751 3.135 454 HG2 MET 56 2HG MET 56 -10.562 -7.757 3.428 455 HG3 MET 56 1HG MET 56 -10.476 -9.511 3.602 456 HE1 MET 56 3HE MET 56 -8.167 -9.811 6.806 457 HE2 MET 56 1HE MET 56 -7.605 -9.721 5.135 458 HE3 MET 56 2HE MET 56 -9.010 -10.706 5.539 459 H ILE 57 H ILE 57 -8.246 -6.859 -0.405 460 HA ILE 57 HA ILE 57 -5.899 -8.403 -1.261 461 HB ILE 57 HB ILE 57 -5.861 -6.907 -3.218 462 HG12 ILE 57 2HG1 ILE 57 -8.294 -5.630 -1.926 463 HG13 ILE 57 1HG1 ILE 57 -6.734 -4.857 -2.176 464 HG21 ILE 57 1HG2 ILE 57 -7.930 -7.695 -4.251 465 HG22 ILE 57 2HG2 ILE 57 -8.592 -8.072 -2.659 466 HG23 ILE 57 3HG2 ILE 57 -7.193 -8.960 -3.268 467 HD11 ILE 57 3HD1 ILE 57 -7.062 -5.019 -4.606 468 HD12 ILE 57 1HD1 ILE 57 -8.343 -4.099 -3.815 469 HD13 ILE 57 2HD1 ILE 57 -8.640 -5.760 -4.328 470 H GLN 58 H GLN 58 -3.787 -7.720 -0.970 471 HA GLN 58 HA GLN 58 -3.455 -5.300 0.649 472 HB2 GLN 58 2HB GLN 58 -1.684 -7.640 0.030 473 HB3 GLN 58 1HB GLN 58 -0.972 -6.142 0.615 474 HG2 GLN 58 2HG GLN 58 -1.346 -7.639 2.458 475 HG3 GLN 58 1HG GLN 58 -2.411 -6.242 2.601 476 HE21 GLN 58 1HE2 GLN 58 -3.945 -7.208 3.830 477 HE22 GLN 58 2HE2 GLN 58 -4.956 -8.492 3.270 478 H VAL 59 H VAL 59 -3.409 -3.475 -0.458 479 HA VAL 59 HA VAL 59 -2.066 -3.375 -3.061 480 HB VAL 59 HB VAL 59 -3.874 -1.366 -1.704 481 HG11 VAL 59 1HG1 VAL 59 -3.834 -0.147 -3.843 482 HG12 VAL 59 2HG1 VAL 59 -2.611 -1.264 -4.450 483 HG13 VAL 59 3HG1 VAL 59 -2.241 -0.205 -3.090 484 HG21 VAL 59 3HG2 VAL 59 -5.453 -1.973 -3.502 485 HG22 VAL 59 1HG2 VAL 59 -5.055 -3.349 -2.470 486 HG23 VAL 59 2HG2 VAL 59 -4.319 -3.202 -4.067 487 H SER 60 H SER 60 -0.154 -2.388 -3.369 488 HA SER 60 HA SER 60 0.949 -0.785 -1.139 489 HB2 SER 60 2HB SER 60 2.476 -2.749 -2.871 490 HB3 SER 60 1HB SER 60 3.174 -1.739 -1.606 491 HG SER 60 HG SER 60 1.146 -3.692 -1.207 492 H ILE 61 H ILE 61 1.953 1.084 -1.615 493 HA ILE 61 HA ILE 61 2.435 1.758 -4.459 494 HB ILE 61 HB ILE 61 1.872 4.105 -3.950 495 HG12 ILE 61 2HG1 ILE 61 1.070 3.026 -1.230 496 HG13 ILE 61 1HG1 ILE 61 2.409 4.121 -1.557 497 HG21 ILE 61 1HG2 ILE 61 -0.543 3.855 -3.823 498 HG22 ILE 61 2HG2 ILE 61 -0.364 2.220 -3.189 499 HG23 ILE 61 3HG2 ILE 61 0.144 2.586 -4.837 500 HD11 ILE 61 3HD1 ILE 61 0.491 5.282 -0.618 501 HD12 ILE 61 1HD1 ILE 61 -0.503 4.750 -1.970 502 HD13 ILE 61 2HD1 ILE 61 0.851 5.845 -2.248 503 HA PRO 62 HA PRO 62 6.641 2.638 -3.256 504 HB2 PRO 62 2HB PRO 62 7.231 4.713 -4.973 505 HB3 PRO 62 1HB PRO 62 7.214 3.010 -5.444 506 HG2 PRO 62 2HG PRO 62 5.087 5.094 -5.802 507 HG3 PRO 62 1HG PRO 62 5.647 3.860 -6.947 508 HD2 PRO 62 2HD PRO 62 3.372 3.546 -5.549 509 HD3 PRO 62 1HD PRO 62 4.431 2.166 -5.911 510 H ALA 63 H ALA 63 7.875 4.084 -2.010 511 HA ALA 63 HA ALA 63 6.546 5.614 -0.134 512 HB1 ALA 63 3HB ALA 63 9.422 5.940 -0.986 513 HB2 ALA 63 1HB ALA 63 8.818 4.736 0.154 514 HB3 ALA 63 2HB ALA 63 8.722 6.453 0.549 515 H SER 64 H SER 64 7.871 6.685 -3.215 516 HA SER 64 HA SER 64 7.867 9.435 -2.918 517 HB2 SER 64 2HB SER 64 7.085 7.845 -5.378 518 HB3 SER 64 1HB SER 64 7.529 9.555 -5.369 519 HG SER 64 HG SER 64 9.375 8.495 -5.856 520 H VAL 65 H VAL 65 5.116 7.303 -3.405 521 HA VAL 65 HA VAL 65 3.252 9.480 -3.847 522 HB VAL 65 HB VAL 65 2.652 6.568 -3.266 523 HG11 VAL 65 1HG1 VAL 65 0.942 8.746 -4.478 524 HG12 VAL 65 2HG1 VAL 65 0.736 8.018 -2.885 525 HG13 VAL 65 3HG1 VAL 65 0.485 7.048 -4.334 526 HG21 VAL 65 3HG2 VAL 65 2.404 6.306 -5.696 527 HG22 VAL 65 1HG2 VAL 65 4.051 6.763 -5.252 528 HG23 VAL 65 2HG2 VAL 65 2.952 7.967 -5.924 529 HA PRO 66 HA PRO 66 3.090 10.550 0.513 530 HB2 PRO 66 2HB PRO 66 0.467 11.683 -0.384 531 HB3 PRO 66 1HB PRO 66 1.751 12.436 0.574 532 HG2 PRO 66 2HG PRO 66 1.462 13.053 -1.996 533 HG3 PRO 66 1HG PRO 66 3.078 12.854 -1.293 534 HD2 PRO 66 2HD PRO 66 1.537 11.007 -3.069 535 HD3 PRO 66 1HD PRO 66 3.284 11.327 -3.014 536 H LEU 67 H LEU 67 2.231 9.658 2.322 537 HA LEU 67 HA LEU 67 0.748 7.319 2.283 538 HB2 LEU 67 2HB LEU 67 2.118 8.150 4.189 539 HB3 LEU 67 1HB LEU 67 0.875 9.334 4.536 540 HG LEU 67 HG LEU 67 -0.707 7.563 5.092 541 HD11 LEU 67 1HD1 LEU 67 1.549 5.666 4.459 542 HD12 LEU 67 2HD1 LEU 67 0.045 5.852 3.551 543 HD13 LEU 67 3HD1 LEU 67 0.010 5.223 5.202 544 HD21 LEU 67 3HD2 LEU 67 0.389 6.719 7.123 545 HD22 LEU 67 1HD2 LEU 67 0.705 8.439 6.874 546 HD23 LEU 67 2HD2 LEU 67 1.952 7.246 6.494 547 H LYS 68 H LYS 68 -1.436 6.800 2.513 548 HA LYS 68 HA LYS 68 -3.164 8.795 1.347 549 HB2 LYS 68 2HB LYS 68 -3.913 5.978 2.138 550 HB3 LYS 68 1HB LYS 68 -4.736 7.021 0.985 551 HG2 LYS 68 2HG LYS 68 -2.106 5.599 0.687 552 HG3 LYS 68 1HG LYS 68 -3.542 5.487 -0.329 553 HD2 LYS 68 2HD LYS 68 -1.715 7.892 -0.088 554 HD3 LYS 68 1HD LYS 68 -1.737 6.745 -1.428 555 HE2 LYS 68 2HE LYS 68 -4.043 7.399 -1.947 556 HE3 LYS 68 1HE LYS 68 -4.027 8.539 -0.602 557 HZ1 LYS 68 3HZ LYS 68 -2.275 8.661 -2.998 558 HZ2 LYS 68 1HZ LYS 68 -2.250 9.751 -1.701 559 HZ3 LYS 68 2HZ LYS 68 -3.613 9.648 -2.696 560 H GLU 69 H GLU 69 -3.536 6.712 4.247 561 HA GLU 69 HA GLU 69 -4.631 7.014 6.220 562 HB2 GLU 69 2HB GLU 69 -4.130 9.942 5.629 563 HB3 GLU 69 1HB GLU 69 -4.547 9.272 7.204 564 HG2 GLU 69 2HG GLU 69 -2.461 8.019 7.250 565 HG3 GLU 69 1HG GLU 69 -2.053 8.607 5.639 566 H PHE 70 H PHE 70 -6.372 6.713 3.990 567 HA PHE 70 HA PHE 70 -8.468 8.646 4.028 568 HB2 PHE 70 2HB PHE 70 -8.393 5.803 3.000 569 HB3 PHE 70 1HB PHE 70 -9.779 6.871 2.801 570 HD1 PHE 70 HD2 PHE 70 -8.750 9.396 2.020 571 HD2 PHE 70 HD1 PHE 70 -7.298 5.523 0.986 572 HE1 PHE 70 HE2 PHE 70 -7.775 10.313 -0.042 573 HE2 PHE 70 HE1 PHE 70 -6.324 6.440 -1.078 574 HZ PHE 70 HZ PHE 70 -6.565 8.835 -1.595 575 H ASP 71 H ASP 71 -10.810 7.869 4.465 576 HA ASP 71 HA ASP 71 -11.046 7.368 7.253 577 HB2 ASP 71 2HB ASP 71 -13.200 7.380 5.124 578 HB3 ASP 71 1HB ASP 71 -13.468 7.487 6.861 579 H TYR 72 H TYR 72 -12.298 5.680 8.265 580 HA TYR 72 HA TYR 72 -11.507 3.070 7.448 581 HB2 TYR 72 2HB TYR 72 -11.830 3.942 9.820 582 HB3 TYR 72 1HB TYR 72 -13.560 3.773 9.557 583 HD1 TYR 72 HD2 TYR 72 -10.755 1.501 8.581 584 HD2 TYR 72 HD1 TYR 72 -14.234 2.044 10.980 585 HE1 TYR 72 HE2 TYR 72 -10.606 -0.839 9.323 586 HE2 TYR 72 HE1 TYR 72 -14.091 -0.295 11.724 587 HH TYR 72 HH TYR 72 -13.138 -2.405 11.027 588 H ASN 73 H ASN 73 -12.467 1.840 5.968 589 HA ASN 73 HA ASN 73 -14.002 0.798 4.660 590 HB2 ASN 73 2HB ASN 73 -16.055 2.133 6.441 591 HB3 ASN 73 1HB ASN 73 -16.448 0.980 5.169 592 HD21 ASN 73 1HD2 ASN 73 -15.138 1.398 8.336 593 HD22 ASN 73 2HD2 ASN 73 -15.050 -0.281 8.735 594 H ALA 74 H ALA 74 -13.005 3.634 4.235 595 HA ALA 74 HA ALA 74 -15.063 4.983 2.751 596 HB1 ALA 74 3HB ALA 74 -13.205 6.189 3.813 597 HB2 ALA 74 1HB ALA 74 -13.317 6.534 2.090 598 HB3 ALA 74 2HB ALA 74 -12.078 5.433 2.689 599 H ARG 75 H ARG 75 -15.419 5.065 0.551 600 HA ARG 75 HA ARG 75 -14.651 2.853 -1.065 601 HB2 ARG 75 2HB ARG 75 -15.785 5.500 -2.012 602 HB3 ARG 75 1HB ARG 75 -15.837 3.964 -2.867 603 HG2 ARG 75 2HG ARG 75 -17.318 3.053 -1.145 604 HG3 ARG 75 1HG ARG 75 -17.260 4.593 -0.281 605 HD2 ARG 75 2HD ARG 75 -18.383 4.097 -3.042 606 HD3 ARG 75 1HD ARG 75 -19.293 4.490 -1.583 607 HE ARG 75 HE ARG 75 -17.509 6.569 -1.963 608 HH11 ARG 75 1HH1 ARG 75 -20.152 5.176 -3.681 609 HH12 ARG 75 2HH1 ARG 75 -20.533 6.648 -4.507 610 HH21 ARG 75 1HH2 ARG 75 -18.043 8.467 -3.004 611 HH22 ARG 75 2HH2 ARG 75 -19.377 8.491 -4.105 612 H VAL 76 H VAL 76 -12.703 2.565 -1.993 613 HA VAL 76 HA VAL 76 -11.226 4.923 -2.981 614 HB VAL 76 HB VAL 76 -9.098 3.837 -2.294 615 HG11 VAL 76 1HG1 VAL 76 -10.090 5.583 -0.908 616 HG12 VAL 76 2HG1 VAL 76 -9.271 4.385 0.090 617 HG13 VAL 76 3HG1 VAL 76 -11.031 4.374 -0.032 618 HG21 VAL 76 3HG2 VAL 76 -9.146 2.010 -0.651 619 HG22 VAL 76 1HG2 VAL 76 -9.871 1.518 -2.180 620 HG23 VAL 76 2HG2 VAL 76 -10.899 1.912 -0.805 621 H GLU 77 H GLU 77 -10.196 4.713 -4.922 622 HA GLU 77 HA GLU 77 -10.258 2.081 -6.252 623 HB2 GLU 77 2HB GLU 77 -10.636 3.306 -8.405 624 HB3 GLU 77 1HB GLU 77 -11.981 3.403 -7.278 625 HG2 GLU 77 2HG GLU 77 -11.444 5.645 -6.695 626 HG3 GLU 77 1HG GLU 77 -9.907 5.566 -7.554 627 H LEU 78 H LEU 78 -8.641 1.791 -7.951 628 HA LEU 78 HA LEU 78 -6.114 3.055 -7.141 629 HB2 LEU 78 2HB LEU 78 -6.615 0.506 -8.693 630 HB3 LEU 78 1HB LEU 78 -5.036 1.118 -8.229 631 HG LEU 78 HG LEU 78 -7.208 0.201 -6.337 632 HD11 LEU 78 1HD1 LEU 78 -4.539 -1.022 -7.028 633 HD12 LEU 78 2HD1 LEU 78 -6.125 -1.647 -7.484 634 HD13 LEU 78 3HD1 LEU 78 -5.650 -1.603 -5.786 635 HD21 LEU 78 3HD2 LEU 78 -5.976 2.036 -5.358 636 HD22 LEU 78 1HD2 LEU 78 -4.443 1.275 -5.781 637 HD23 LEU 78 2HD2 LEU 78 -5.500 0.527 -4.584 638 H ILE 79 H ILE 79 -4.965 4.323 -8.470 639 HA ILE 79 HA ILE 79 -5.987 5.256 -10.929 640 HB ILE 79 HB ILE 79 -3.162 5.464 -9.852 641 HG12 ILE 79 2HG1 ILE 79 -4.840 6.422 -8.331 642 HG13 ILE 79 1HG1 ILE 79 -3.861 7.691 -9.057 643 HG21 ILE 79 1HG2 ILE 79 -3.227 5.913 -12.246 644 HG22 ILE 79 2HG2 ILE 79 -2.940 7.404 -11.352 645 HG23 ILE 79 3HG2 ILE 79 -4.539 7.068 -12.017 646 HD11 ILE 79 3HD1 ILE 79 -5.668 8.182 -10.621 647 HD12 ILE 79 1HD1 ILE 79 -6.192 8.325 -8.944 648 HD13 ILE 79 2HD1 ILE 79 -6.644 6.908 -9.889 649 H ASN 80 H ASN 80 -2.790 3.661 -10.635 650 HA ASN 80 HA ASN 80 -3.472 1.979 -12.968 651 HB2 ASN 80 2HB ASN 80 -0.725 3.122 -12.377 652 HB3 ASN 80 1HB ASN 80 -1.159 2.110 -13.749 653 HD21 ASN 80 1HD2 ASN 80 -1.060 5.281 -12.490 654 HD22 ASN 80 2HD2 ASN 80 -1.752 6.080 -13.853 655 HA PRO 81 HA PRO 81 -2.273 -0.911 -9.583 656 HB2 PRO 81 2HB PRO 81 -4.206 -2.722 -9.973 657 HB3 PRO 81 1HB PRO 81 -4.541 -1.180 -9.172 658 HG2 PRO 81 2HG PRO 81 -5.047 -1.981 -12.021 659 HG3 PRO 81 1HG PRO 81 -6.111 -1.115 -10.896 660 HD2 PRO 81 2HD PRO 81 -4.573 0.123 -12.811 661 HD3 PRO 81 1HD PRO 81 -5.097 0.906 -11.308 662 H ILE 82 H ILE 82 -1.024 -2.748 -9.672 663 HA ILE 82 HA ILE 82 -1.122 -4.466 -12.053 664 HB ILE 82 HB ILE 82 1.319 -4.706 -12.124 665 HG12 ILE 82 2HG1 ILE 82 1.391 -2.461 -10.086 666 HG13 ILE 82 1HG1 ILE 82 1.797 -4.141 -9.761 667 HG21 ILE 82 1HG2 ILE 82 0.279 -3.080 -13.608 668 HG22 ILE 82 2HG2 ILE 82 1.882 -2.535 -13.112 669 HG23 ILE 82 3HG2 ILE 82 0.443 -1.826 -12.377 670 HD11 ILE 82 3HD1 ILE 82 3.786 -2.781 -10.025 671 HD12 ILE 82 1HD1 ILE 82 3.265 -2.305 -11.643 672 HD13 ILE 82 2HD1 ILE 82 3.680 -3.988 -11.307 673 H ALA 83 H ALA 83 -0.552 -6.652 -11.667 674 HA ALA 83 HA ALA 83 -0.828 -7.477 -8.871 675 HB1 ALA 83 3HB ALA 83 -2.278 -8.533 -10.533 676 HB2 ALA 83 1HB ALA 83 -1.214 -9.723 -9.781 677 HB3 ALA 83 2HB ALA 83 -0.866 -9.128 -11.404 678 H ASP 84 H ASP 84 0.930 -7.905 -7.673 679 HA ASP 84 HA ASP 84 3.526 -8.013 -8.950 680 HB2 ASP 84 2HB ASP 84 3.062 -6.635 -6.916 681 HB3 ASP 84 1HB ASP 84 2.874 -8.127 -5.998 682 H THR 85 H THR 85 5.151 -9.594 -8.448 683 HA THR 85 HA THR 85 4.228 -12.187 -7.413 684 HB THR 85 HB THR 85 5.878 -11.962 -9.948 685 HG1 THR 85 HG1 THR 85 3.122 -11.979 -9.535 686 HG21 THR 85 3HG2 THR 85 4.492 -14.324 -8.660 687 HG22 THR 85 1HG2 THR 85 6.234 -14.042 -8.700 688 HG23 THR 85 2HG2 THR 85 5.356 -14.354 -10.197 689 H VAL 86 H VAL 86 6.521 -9.739 -7.346 690 HA VAL 86 HA VAL 86 8.835 -11.437 -6.838 691 HB VAL 86 HB VAL 86 8.979 -9.270 -8.137 692 HG11 VAL 86 1HG1 VAL 86 8.705 -8.021 -5.401 693 HG12 VAL 86 2HG1 VAL 86 7.550 -7.890 -6.727 694 HG13 VAL 86 3HG1 VAL 86 9.155 -7.177 -6.882 695 HG21 VAL 86 3HG2 VAL 86 10.780 -9.575 -5.734 696 HG22 VAL 86 1HG2 VAL 86 11.147 -8.622 -7.171 697 HG23 VAL 86 2HG2 VAL 86 10.972 -10.371 -7.293 698 H ALA 87 H ALA 87 6.295 -10.120 -5.047 699 HA ALA 87 HA ALA 87 7.456 -9.487 -2.586 700 HB1 ALA 87 3HB ALA 87 5.124 -9.010 -3.171 701 HB2 ALA 87 1HB ALA 87 5.256 -9.840 -1.622 702 HB3 ALA 87 2HB ALA 87 4.749 -10.730 -3.059 703 H THR 88 H THR 88 7.230 -12.557 -4.083 704 HA THR 88 HA THR 88 7.931 -13.901 -1.544 705 HB THR 88 HB THR 88 6.041 -14.949 -2.682 706 HG1 THR 88 HG1 THR 88 8.194 -16.727 -3.148 707 HG21 THR 88 3HG2 THR 88 6.272 -16.003 -4.870 708 HG22 THR 88 1HG2 THR 88 7.931 -15.414 -5.000 709 HG23 THR 88 2HG2 THR 88 6.587 -14.270 -4.994 710 H ALA 89 H ALA 89 9.302 -12.646 -4.335 711 HA ALA 89 HA ALA 89 11.488 -14.574 -4.519 712 HB1 ALA 89 3HB ALA 89 10.999 -12.062 -6.127 713 HB2 ALA 89 1HB ALA 89 10.491 -13.689 -6.583 714 HB3 ALA 89 2HB ALA 89 12.208 -13.303 -6.464 715 H THR 90 H THR 90 11.242 -11.011 -4.119 716 HA THR 90 HA THR 90 13.939 -10.927 -3.018 717 HB THR 90 HB THR 90 13.241 -9.117 -4.528 718 HG1 THR 90 HG1 THR 90 14.763 -8.755 -2.734 719 HG21 THR 90 3HG2 THR 90 10.864 -9.008 -3.929 720 HG22 THR 90 1HG2 THR 90 11.629 -7.423 -3.797 721 HG23 THR 90 2HG2 THR 90 11.291 -8.364 -2.343 722 H TYR 91 H TYR 91 10.681 -10.974 -1.851 723 HA TYR 91 HA TYR 91 11.666 -10.651 0.919 724 HB2 TYR 91 2HB TYR 91 8.805 -10.383 -0.062 725 HB3 TYR 91 1HB TYR 91 9.389 -10.072 1.569 726 HD1 TYR 91 HD2 TYR 91 11.423 -8.287 1.619 727 HD2 TYR 91 HD1 TYR 91 8.414 -8.525 -1.387 728 HE1 TYR 91 HE2 TYR 91 11.827 -5.934 1.033 729 HE2 TYR 91 HE1 TYR 91 8.812 -6.176 -1.980 730 HH TYR 91 HH TYR 91 11.513 -4.430 -0.864 731 H GLN 92 H GLN 92 12.097 -12.635 1.710 732 HA GLN 92 HA GLN 92 10.833 -14.971 0.580 733 HB2 GLN 92 2HB GLN 92 12.899 -14.721 2.777 734 HB3 GLN 92 1HB GLN 92 12.367 -16.237 2.064 735 HG2 GLN 92 2HG GLN 92 14.434 -15.684 1.049 736 HG3 GLN 92 1HG GLN 92 13.176 -15.387 -0.149 737 HE21 GLN 92 1HE2 GLN 92 14.402 -13.937 -1.322 738 HE22 GLN 92 2HE2 GLN 92 14.810 -12.366 -0.737 739 H GLY 93 H GLY 93 8.831 -15.492 1.211 740 HA2 GLY 93 2HA GLY 93 7.310 -16.496 2.683 741 HA3 GLY 93 1HA GLY 93 8.344 -16.053 4.031 742 H ALA 94 H ALA 94 7.704 -13.433 1.940 743 HA ALA 94 HA ALA 94 6.088 -12.161 3.987 744 HB1 ALA 94 3HB ALA 94 6.371 -10.122 2.691 745 HB2 ALA 94 1HB ALA 94 7.089 -11.047 1.371 746 HB3 ALA 94 2HB ALA 94 7.921 -10.934 2.921 747 H ASP 95 H ASP 95 5.611 -13.438 0.755 748 HA ASP 95 HA ASP 95 3.095 -12.225 0.255 749 HB2 ASP 95 2HB ASP 95 4.453 -13.093 -1.568 750 HB3 ASP 95 1HB ASP 95 4.338 -14.725 -0.914 751 H VAL 96 H VAL 96 1.005 -12.975 0.538 752 HA VAL 96 HA VAL 96 0.671 -15.387 2.224 753 HB VAL 96 HB VAL 96 -1.039 -12.891 2.363 754 HG11 VAL 96 1HG1 VAL 96 -2.249 -14.924 2.948 755 HG12 VAL 96 2HG1 VAL 96 -1.982 -13.932 4.381 756 HG13 VAL 96 3HG1 VAL 96 -0.989 -15.363 4.103 757 HG21 VAL 96 3HG2 VAL 96 0.025 -12.480 4.542 758 HG22 VAL 96 1HG2 VAL 96 1.193 -12.414 3.221 759 HG23 VAL 96 2HG2 VAL 96 1.117 -13.836 4.263 760 H ASP 97 H ASP 97 -1.770 -13.258 0.752 761 HA ASP 97 HA ASP 97 -2.655 -15.518 -0.911 762 HB2 ASP 97 2HB ASP 97 -4.794 -14.001 -1.085 763 HB3 ASP 97 1HB ASP 97 -4.519 -14.990 0.345 764 H TRP 98 H TRP 98 -2.739 -11.894 -1.199 765 HA TRP 98 HA TRP 98 -0.859 -11.931 -3.306 766 HB2 TRP 98 2HB TRP 98 -2.279 -11.198 -5.197 767 HB3 TRP 98 1HB TRP 98 -2.573 -12.853 -4.693 768 HD1 TRP 98 HD1 TRP 98 -4.650 -12.133 -2.292 769 HE1 TRP 98 HE1 TRP 98 -7.028 -11.412 -2.946 770 HE3 TRP 98 HE3 TRP 98 -3.753 -10.643 -7.099 771 HZ2 TRP 98 HZ2 TRP 98 -8.356 -10.361 -5.207 772 HZ3 TRP 98 HZ3 TRP 98 -5.631 -9.793 -8.441 773 HH2 TRP 98 HH2 TRP 98 -7.887 -9.661 -7.512 774 H TYR 99 H TYR 99 -0.072 -10.020 -3.905 775 HA TYR 99 HA TYR 99 -1.104 -7.619 -2.539 776 HB2 TYR 99 2HB TYR 99 1.703 -8.340 -3.426 777 HB3 TYR 99 1HB TYR 99 1.249 -6.761 -2.794 778 HD1 TYR 99 HD1 TYR 99 1.356 -10.381 -1.899 779 HD2 TYR 99 HD2 TYR 99 1.251 -6.366 -0.481 780 HE1 TYR 99 HE1 TYR 99 1.782 -11.183 0.385 781 HE2 TYR 99 HE2 TYR 99 1.679 -7.163 1.807 782 HH TYR 99 HH TYR 99 2.712 -10.313 2.505 783 H ILE 100 H ILE 100 -1.984 -6.106 -3.803 784 HA ILE 100 HA ILE 100 -1.279 -6.033 -6.670 785 HB ILE 100 HB ILE 100 -3.671 -4.736 -5.331 786 HG12 ILE 100 2HG1 ILE 100 -3.492 -7.347 -6.869 787 HG13 ILE 100 1HG1 ILE 100 -3.822 -7.181 -5.149 788 HG21 ILE 100 1HG2 ILE 100 -4.525 -4.504 -7.618 789 HG22 ILE 100 2HG2 ILE 100 -3.046 -5.225 -8.250 790 HG23 ILE 100 3HG2 ILE 100 -2.984 -3.665 -7.427 791 HD11 ILE 100 3HD1 ILE 100 -5.842 -7.646 -6.387 792 HD12 ILE 100 1HD1 ILE 100 -5.585 -6.221 -7.390 793 HD13 ILE 100 2HD1 ILE 100 -5.917 -6.039 -5.666 794 H LYS 101 H LYS 101 0.369 -4.630 -6.977 795 HA LYS 101 HA LYS 101 0.637 -2.286 -5.271 796 HB2 LYS 101 2HB LYS 101 2.416 -3.565 -7.351 797 HB3 LYS 101 1HB LYS 101 2.811 -2.024 -6.591 798 HG2 LYS 101 2HG LYS 101 3.104 -2.985 -4.487 799 HG3 LYS 101 1HG LYS 101 2.184 -4.427 -4.910 800 HD2 LYS 101 2HD LYS 101 4.605 -4.860 -4.726 801 HD3 LYS 101 1HD LYS 101 3.971 -5.208 -6.333 802 HE2 LYS 101 2HE LYS 101 4.855 -3.083 -7.151 803 HE3 LYS 101 1HE LYS 101 5.457 -2.704 -5.534 804 HZ1 LYS 101 3HZ LYS 101 6.967 -4.506 -5.642 805 HZ2 LYS 101 1HZ LYS 101 7.139 -3.647 -7.087 806 HZ3 LYS 101 2HZ LYS 101 6.281 -5.108 -7.063 807 H ALA 102 H ALA 102 0.240 -0.208 -5.872 808 HA ALA 102 HA ALA 102 -0.764 0.199 -8.623 809 HB1 ALA 102 3HB ALA 102 -2.531 1.623 -7.732 810 HB2 ALA 102 1HB ALA 102 -1.961 1.326 -6.089 811 HB3 ALA 102 2HB ALA 102 -2.622 -0.001 -7.047 812 H ASP 103 H ASP 103 -0.691 2.328 -9.454 813 HA ASP 103 HA ASP 103 1.633 3.827 -8.877 814 HB2 ASP 103 2HB ASP 103 0.496 3.710 -11.087 815 HB3 ASP 103 1HB ASP 103 -0.833 4.660 -10.434 816 H ASP 104 H ASP 104 -1.762 4.275 -7.985 817 HA ASP 104 HA ASP 104 -1.127 5.645 -5.593 818 HB2 ASP 104 2HB ASP 104 -0.755 7.570 -7.041 819 HB3 ASP 104 1HB ASP 104 -2.323 7.334 -7.809 820 H ILE 105 H ILE 105 -3.077 6.279 -4.371 821 HA ILE 105 HA ILE 105 -5.455 4.704 -5.167 822 HB ILE 105 HB ILE 105 -4.519 5.232 -2.329 823 HG12 ILE 105 2HG1 ILE 105 -4.262 2.700 -3.982 824 HG13 ILE 105 1HG1 ILE 105 -2.934 3.756 -3.516 825 HG21 ILE 105 1HG2 ILE 105 -6.949 4.896 -2.593 826 HG22 ILE 105 2HG2 ILE 105 -6.194 3.586 -1.687 827 HG23 ILE 105 3HG2 ILE 105 -6.641 3.346 -3.377 828 HD11 ILE 105 3HD1 ILE 105 -3.025 1.776 -2.126 829 HD12 ILE 105 1HD1 ILE 105 -4.671 2.173 -1.637 830 HD13 ILE 105 2HD1 ILE 105 -3.331 3.225 -1.171 831 H VAL 106 H VAL 106 -7.216 5.955 -5.505 832 HA VAL 106 HA VAL 106 -7.482 8.476 -3.972 833 HB VAL 106 HB VAL 106 -8.769 9.409 -5.878 834 HG11 VAL 106 1HG1 VAL 106 -6.402 9.942 -5.662 835 HG12 VAL 106 2HG1 VAL 106 -6.851 9.817 -7.363 836 HG13 VAL 106 3HG1 VAL 106 -5.971 8.501 -6.584 837 HG21 VAL 106 3HG2 VAL 106 -7.897 6.889 -7.308 838 HG22 VAL 106 1HG2 VAL 106 -8.628 8.295 -8.083 839 HG23 VAL 106 2HG2 VAL 106 -9.550 7.357 -6.908 840 H LEU 107 H LEU 107 -9.990 9.217 -4.249 841 HA LEU 107 HA LEU 107 -11.481 7.083 -2.945 842 HB2 LEU 107 2HB LEU 107 -12.138 9.993 -3.416 843 HB3 LEU 107 1HB LEU 107 -13.173 8.878 -2.543 844 HG LEU 107 HG LEU 107 -10.381 9.706 -1.715 845 HD11 LEU 107 1HD1 LEU 107 -11.505 10.853 0.131 846 HD12 LEU 107 2HD1 LEU 107 -13.074 10.415 -0.552 847 HD13 LEU 107 3HD1 LEU 107 -11.999 11.502 -1.432 848 HD21 LEU 107 3HD2 LEU 107 -10.871 8.494 0.367 849 HD22 LEU 107 1HD2 LEU 107 -10.849 7.418 -1.031 850 HD23 LEU 107 2HD2 LEU 107 -12.387 7.923 -0.330 851 H THR 108 H THR 108 -13.016 5.869 -3.869 852 HA THR 108 HA THR 108 -13.610 5.983 -6.634 853 HB THR 108 HB THR 108 -15.263 4.586 -4.515 854 HG1 THR 108 HG1 THR 108 -13.850 2.749 -5.334 855 HG21 THR 108 3HG2 THR 108 -14.901 4.026 -7.463 856 HG22 THR 108 1HG2 THR 108 -16.343 4.707 -6.707 857 HG23 THR 108 2HG2 THR 108 -15.852 3.052 -6.341 858 H LEU 109 H LEU 109 -14.577 7.693 -7.449 859 HA LEU 109 HA LEU 109 -16.674 9.144 -6.187 860 HB2 LEU 109 2HB LEU 109 -16.838 10.427 -8.225 861 HB3 LEU 109 1HB LEU 109 -15.161 10.240 -7.749 862 HG LEU 109 HG LEU 109 -16.358 8.400 -9.806 863 HD11 LEU 109 1HD1 LEU 109 -15.169 11.121 -10.362 864 HD12 LEU 109 2HD1 LEU 109 -16.867 10.684 -10.554 865 HD13 LEU 109 3HD1 LEU 109 -15.640 9.926 -11.570 866 HD21 LEU 109 3HD2 LEU 109 -13.969 8.507 -10.639 867 HD22 LEU 109 1HD2 LEU 109 -14.220 7.709 -9.088 868 HD23 LEU 109 2HD2 LEU 109 -13.585 9.352 -9.138 869 H GLU 110 H GLU 110 -16.689 6.201 -7.768 870 HA GLU 110 HA GLU 110 -19.240 6.401 -9.087 871 HB2 GLU 110 2HB GLU 110 -17.663 3.912 -8.376 872 HB3 GLU 110 1HB GLU 110 -18.970 4.022 -9.547 873 HG2 GLU 110 2HG GLU 110 -16.289 5.392 -9.770 874 HG3 GLU 110 1HG GLU 110 -16.768 3.924 -10.619 Start of MODEL 14 1 H1 MET 1 1H MET 1 12.227 -15.808 -15.870 2 H2 MET 1 2H MET 1 13.581 -15.732 -16.881 3 H3 MET 1 3H MET 1 12.886 -14.308 -16.285 4 HA MET 1 HA MET 1 13.485 -14.892 -14.039 5 HB2 MET 1 2HB MET 1 14.887 -16.837 -13.579 6 HB3 MET 1 1HB MET 1 13.370 -17.332 -14.316 7 HG2 MET 1 2HG MET 1 14.519 -17.554 -16.479 8 HG3 MET 1 1HG MET 1 16.036 -17.105 -15.702 9 HE1 MET 1 3HE MET 1 16.427 -20.970 -16.425 10 HE2 MET 1 1HE MET 1 17.130 -19.373 -16.688 11 HE3 MET 1 2HE MET 1 15.579 -19.787 -17.424 12 H MET 2 H MET 2 14.642 -13.800 -16.791 13 HA MET 2 HA MET 2 17.211 -12.987 -15.591 14 HB2 MET 2 2HB MET 2 18.133 -12.880 -17.945 15 HB3 MET 2 1HB MET 2 17.842 -14.498 -17.320 16 HG2 MET 2 2HG MET 2 15.891 -13.047 -19.097 17 HG3 MET 2 1HG MET 2 17.165 -14.103 -19.710 18 HE1 MET 2 3HE MET 2 17.220 -16.664 -19.495 19 HE2 MET 2 1HE MET 2 16.165 -17.602 -18.439 20 HE3 MET 2 2HE MET 2 17.342 -16.488 -17.744 21 H ARG 3 H ARG 3 17.418 -10.838 -15.391 22 HA ARG 3 HA ARG 3 15.284 -9.130 -16.249 23 HB2 ARG 3 2HB ARG 3 16.484 -8.904 -14.063 24 HB3 ARG 3 1HB ARG 3 17.891 -8.323 -14.944 25 HG2 ARG 3 2HG ARG 3 16.561 -6.427 -15.785 26 HG3 ARG 3 1HG ARG 3 15.174 -7.003 -14.860 27 HD2 ARG 3 2HD ARG 3 16.224 -5.254 -13.607 28 HD3 ARG 3 1HD ARG 3 16.549 -6.781 -12.789 29 HE ARG 3 HE ARG 3 18.600 -5.872 -14.625 30 HH11 ARG 3 1HH1 ARG 3 17.533 -6.088 -11.353 31 HH12 ARG 3 2HH1 ARG 3 19.074 -5.634 -10.710 32 HH21 ARG 3 1HH2 ARG 3 20.577 -5.317 -13.781 33 HH22 ARG 3 2HH2 ARG 3 20.781 -5.217 -12.062 34 H LEU 4 H LEU 4 15.513 -9.394 -18.562 35 HA LEU 4 HA LEU 4 17.639 -7.728 -19.749 36 HB2 LEU 4 2HB LEU 4 15.951 -9.959 -20.800 37 HB3 LEU 4 1HB LEU 4 16.503 -8.738 -21.929 38 HG LEU 4 HG LEU 4 17.974 -10.692 -21.929 39 HD11 LEU 4 1HD1 LEU 4 18.887 -8.470 -22.430 40 HD12 LEU 4 2HD1 LEU 4 20.087 -9.525 -21.686 41 HD13 LEU 4 3HD1 LEU 4 19.308 -8.264 -20.729 42 HD21 LEU 4 3HD2 LEU 4 17.645 -11.422 -19.619 43 HD22 LEU 4 1HD2 LEU 4 18.516 -10.006 -19.036 44 HD23 LEU 4 2HD2 LEU 4 19.357 -11.232 -19.985 45 H ALA 5 H ALA 5 14.258 -8.404 -20.644 46 HA ALA 5 HA ALA 5 13.818 -5.497 -20.942 47 HB1 ALA 5 3HB ALA 5 12.312 -7.770 -22.243 48 HB2 ALA 5 1HB ALA 5 13.577 -6.807 -23.008 49 HB3 ALA 5 2HB ALA 5 12.059 -6.047 -22.528 50 H ASN 6 H ASN 6 12.323 -4.506 -19.699 51 HA ASN 6 HA ASN 6 11.224 -5.832 -17.447 52 HB2 ASN 6 2HB ASN 6 11.845 -3.460 -17.408 53 HB3 ASN 6 1HB ASN 6 10.581 -3.095 -18.573 54 HD21 ASN 6 1HD2 ASN 6 8.433 -3.069 -17.895 55 HD22 ASN 6 2HD2 ASN 6 8.001 -3.035 -16.225 56 H GLY 7 H GLY 7 9.420 -7.000 -17.268 57 HA2 GLY 7 2HA GLY 7 6.910 -6.233 -18.328 58 HA3 GLY 7 1HA GLY 7 7.600 -7.491 -19.345 59 H ILE 8 H ILE 8 5.347 -7.181 -17.154 60 HA ILE 8 HA ILE 8 5.897 -9.790 -15.880 61 HB ILE 8 HB ILE 8 4.731 -9.024 -13.833 62 HG12 ILE 8 2HG1 ILE 8 4.898 -6.269 -15.101 63 HG13 ILE 8 1HG1 ILE 8 3.418 -7.185 -14.837 64 HG21 ILE 8 1HG2 ILE 8 7.174 -9.014 -13.927 65 HG22 ILE 8 2HG2 ILE 8 6.569 -7.704 -12.911 66 HG23 ILE 8 3HG2 ILE 8 7.150 -7.359 -14.541 67 HD11 ILE 8 3HD1 ILE 8 3.800 -7.067 -12.416 68 HD12 ILE 8 1HD1 ILE 8 3.672 -5.474 -13.160 69 HD13 ILE 8 2HD1 ILE 8 5.253 -6.110 -12.706 70 H VAL 9 H VAL 9 4.037 -11.064 -15.367 71 HA VAL 9 HA VAL 9 1.902 -10.802 -17.268 72 HB VAL 9 HB VAL 9 2.145 -12.732 -14.946 73 HG11 VAL 9 1HG1 VAL 9 0.407 -12.833 -17.420 74 HG12 VAL 9 2HG1 VAL 9 -0.142 -12.582 -15.762 75 HG13 VAL 9 3HG1 VAL 9 0.569 -14.126 -16.231 76 HG21 VAL 9 3HG2 VAL 9 4.057 -12.915 -16.447 77 HG22 VAL 9 1HG2 VAL 9 2.978 -13.054 -17.836 78 HG23 VAL 9 2HG2 VAL 9 3.008 -14.324 -16.613 79 H LEU 10 H LEU 10 0.129 -9.609 -17.033 80 HA LEU 10 HA LEU 10 -0.518 -8.427 -14.470 81 HB2 LEU 10 2HB LEU 10 -1.777 -8.051 -17.189 82 HB3 LEU 10 1HB LEU 10 -2.189 -7.128 -15.753 83 HG LEU 10 HG LEU 10 0.502 -7.135 -17.141 84 HD11 LEU 10 1HD1 LEU 10 -1.629 -5.005 -16.980 85 HD12 LEU 10 2HD1 LEU 10 -1.207 -5.951 -18.408 86 HD13 LEU 10 3HD1 LEU 10 -0.038 -4.824 -17.721 87 HD21 LEU 10 3HD2 LEU 10 0.751 -6.847 -14.726 88 HD22 LEU 10 1HD2 LEU 10 -0.440 -5.545 -14.746 89 HD23 LEU 10 2HD2 LEU 10 1.101 -5.345 -15.578 90 H ASP 11 H ASP 11 -2.851 -8.208 -13.860 91 HA ASP 11 HA ASP 11 -3.912 -10.844 -13.395 92 HB2 ASP 11 2HB ASP 11 -5.544 -9.591 -11.971 93 HB3 ASP 11 1HB ASP 11 -3.858 -9.228 -11.595 94 H LYS 12 H LYS 12 -6.398 -11.060 -13.417 95 HA LYS 12 HA LYS 12 -7.513 -10.045 -15.961 96 HB2 LYS 12 2HB LYS 12 -7.944 -12.702 -14.580 97 HB3 LYS 12 1HB LYS 12 -8.962 -12.129 -15.893 98 HG2 LYS 12 2HG LYS 12 -7.113 -12.148 -17.419 99 HG3 LYS 12 1HG LYS 12 -5.984 -12.524 -16.117 100 HD2 LYS 12 2HD LYS 12 -6.593 -14.495 -17.519 101 HD3 LYS 12 1HD LYS 12 -6.962 -14.698 -15.807 102 HE2 LYS 12 2HE LYS 12 -8.765 -15.540 -17.262 103 HE3 LYS 12 1HE LYS 12 -9.304 -14.228 -16.217 104 HZ1 LYS 12 3HZ LYS 12 -9.170 -12.708 -18.055 105 HZ2 LYS 12 1HZ LYS 12 -10.115 -14.033 -18.511 106 HZ3 LYS 12 2HZ LYS 12 -8.524 -13.900 -19.064 107 H ASP 13 H ASP 13 -8.261 -10.935 -12.614 108 HA ASP 13 HA ASP 13 -10.991 -9.975 -12.811 109 HB2 ASP 13 2HB ASP 13 -11.063 -10.683 -10.373 110 HB3 ASP 13 1HB ASP 13 -10.723 -11.958 -11.535 111 H THR 14 H THR 14 -9.323 -7.882 -13.332 112 HA THR 14 HA THR 14 -8.558 -6.303 -11.111 113 HB THR 14 HB THR 14 -7.588 -5.852 -13.275 114 HG1 THR 14 HG1 THR 14 -8.003 -4.057 -11.751 115 HG21 THR 14 3HG2 THR 14 -9.495 -6.471 -14.693 116 HG22 THR 14 1HG2 THR 14 -8.872 -4.876 -15.119 117 HG23 THR 14 2HG2 THR 14 -10.353 -5.019 -14.174 118 H THR 15 H THR 15 -11.583 -6.491 -12.920 119 HA THR 15 HA THR 15 -12.686 -4.115 -11.684 120 HB THR 15 HB THR 15 -14.786 -4.718 -12.872 121 HG1 THR 15 HG1 THR 15 -14.633 -6.975 -12.873 122 HG21 THR 15 3HG2 THR 15 -13.911 -4.452 -15.164 123 HG22 THR 15 1HG2 THR 15 -12.290 -4.836 -14.584 124 HG23 THR 15 2HG2 THR 15 -13.100 -3.370 -14.031 125 H PHE 16 H PHE 16 -12.199 -5.096 -9.479 126 HA PHE 16 HA PHE 16 -13.733 -7.202 -8.415 127 HB2 PHE 16 2HB PHE 16 -12.530 -4.801 -7.011 128 HB3 PHE 16 1HB PHE 16 -13.163 -6.225 -6.193 129 HD1 PHE 16 HD2 PHE 16 -12.051 -8.451 -6.590 130 HD2 PHE 16 HD1 PHE 16 -10.328 -4.768 -7.869 131 HE1 PHE 16 HE2 PHE 16 -9.855 -9.543 -6.778 132 HE2 PHE 16 HE1 PHE 16 -8.130 -5.859 -8.051 133 HZ PHE 16 HZ PHE 16 -7.889 -8.246 -7.506 134 H GLY 17 H GLY 17 -14.289 -3.684 -8.258 135 HA2 GLY 17 2HA GLY 17 -16.556 -2.862 -8.648 136 HA3 GLY 17 1HA GLY 17 -17.150 -4.235 -7.735 137 H GLU 18 H GLU 18 -17.545 -3.951 -5.598 138 HA GLU 18 HA GLU 18 -17.111 -1.344 -4.437 139 HB2 GLU 18 2HB GLU 18 -18.556 -3.828 -3.620 140 HB3 GLU 18 1HB GLU 18 -18.110 -2.688 -2.360 141 HG2 GLU 18 2HG GLU 18 -20.365 -2.273 -3.078 142 HG3 GLU 18 1HG GLU 18 -19.341 -0.917 -3.533 143 H LEU 19 H LEU 19 -15.162 -0.812 -3.717 144 HA LEU 19 HA LEU 19 -13.634 -2.747 -2.086 145 HB2 LEU 19 2HB LEU 19 -12.573 -0.581 -3.921 146 HB3 LEU 19 1HB LEU 19 -11.581 -1.549 -2.845 147 HG LEU 19 HG LEU 19 -13.201 -2.633 -5.161 148 HD11 LEU 19 1HD1 LEU 19 -10.216 -2.229 -4.900 149 HD12 LEU 19 2HD1 LEU 19 -11.304 -1.267 -5.901 150 HD13 LEU 19 3HD1 LEU 19 -11.055 -2.973 -6.263 151 HD21 LEU 19 3HD2 LEU 19 -11.237 -3.989 -3.308 152 HD22 LEU 19 1HD2 LEU 19 -11.960 -4.717 -4.743 153 HD23 LEU 19 2HD2 LEU 19 -12.978 -4.263 -3.377 154 H LYS 20 H LYS 20 -13.604 -2.169 -0.002 155 HA LYS 20 HA LYS 20 -13.728 0.693 0.704 156 HB2 LYS 20 2HB LYS 20 -14.183 -1.745 2.449 157 HB3 LYS 20 1HB LYS 20 -14.257 -0.083 3.004 158 HG2 LYS 20 2HG LYS 20 -16.084 -1.355 0.974 159 HG3 LYS 20 1HG LYS 20 -16.480 -0.985 2.654 160 HD2 LYS 20 2HD LYS 20 -15.876 1.450 2.034 161 HD3 LYS 20 1HD LYS 20 -16.010 0.907 0.360 162 HE2 LYS 20 2HE LYS 20 -18.167 0.818 2.476 163 HE3 LYS 20 1HE LYS 20 -18.110 1.877 1.071 164 HZ1 LYS 20 3HZ LYS 20 -18.281 -0.083 -0.352 165 HZ2 LYS 20 1HZ LYS 20 -19.603 0.039 0.693 166 HZ3 LYS 20 2HZ LYS 20 -18.377 -1.079 1.009 167 H PHE 21 H PHE 21 -12.122 1.706 1.810 168 HA PHE 21 HA PHE 21 -9.516 0.529 1.934 169 HB2 PHE 21 2HB PHE 21 -9.866 2.936 1.527 170 HB3 PHE 21 1HB PHE 21 -10.563 3.115 3.129 171 HD1 PHE 21 HD1 PHE 21 -7.475 2.630 1.222 172 HD2 PHE 21 HD2 PHE 21 -9.152 3.152 5.106 173 HE1 PHE 21 HE1 PHE 21 -5.239 3.115 2.122 174 HE2 PHE 21 HE2 PHE 21 -6.915 3.632 6.011 175 HZ PHE 21 HZ PHE 21 -4.955 3.616 4.516 176 H SER 22 H SER 22 -9.221 -1.131 3.395 177 HA SER 22 HA SER 22 -10.672 -1.230 5.865 178 HB2 SER 22 2HB SER 22 -10.067 -3.300 4.711 179 HB3 SER 22 1HB SER 22 -8.354 -2.938 4.915 180 HG SER 22 HG SER 22 -8.453 -3.694 6.877 181 H ALA 23 H ALA 23 -7.110 -1.184 5.345 182 HA ALA 23 HA ALA 23 -6.762 0.826 7.375 183 HB1 ALA 23 3HB ALA 23 -5.808 -1.968 8.007 184 HB2 ALA 23 1HB ALA 23 -7.169 -1.153 8.776 185 HB3 ALA 23 2HB ALA 23 -5.535 -0.523 8.983 186 H LEU 24 H LEU 24 -4.408 1.221 7.867 187 HA LEU 24 HA LEU 24 -2.697 0.771 5.540 188 HB2 LEU 24 2HB LEU 24 -2.621 2.990 6.438 189 HB3 LEU 24 1HB LEU 24 -2.385 2.395 8.068 190 HG LEU 24 HG LEU 24 -0.121 1.616 7.459 191 HD11 LEU 24 1HD1 LEU 24 0.889 2.286 5.336 192 HD12 LEU 24 2HD1 LEU 24 -0.663 2.924 4.793 193 HD13 LEU 24 3HD1 LEU 24 -0.472 1.195 5.082 194 HD21 LEU 24 3HD2 LEU 24 0.917 3.830 7.264 195 HD22 LEU 24 1HD2 LEU 24 -0.401 3.827 8.437 196 HD23 LEU 24 2HD2 LEU 24 -0.647 4.525 6.835 197 H ARG 25 H ARG 25 -1.782 -1.203 5.473 198 HA ARG 25 HA ARG 25 -1.466 -2.876 7.732 199 HB2 ARG 25 2HB ARG 25 -1.807 -3.725 5.440 200 HB3 ARG 25 1HB ARG 25 -0.214 -3.135 4.989 201 HG2 ARG 25 2HG ARG 25 -0.186 -5.539 5.400 202 HG3 ARG 25 1HG ARG 25 0.826 -4.688 6.565 203 HD2 ARG 25 2HD ARG 25 -0.907 -4.873 8.258 204 HD3 ARG 25 1HD ARG 25 -2.007 -5.609 7.093 205 HE ARG 25 HE ARG 25 -0.346 -7.479 7.005 206 HH11 ARG 25 1HH1 ARG 25 -0.597 -5.497 9.809 207 HH12 ARG 25 2HH1 ARG 25 0.010 -6.728 10.859 208 HH21 ARG 25 1HH2 ARG 25 0.392 -9.061 8.388 209 HH22 ARG 25 2HH2 ARG 25 0.545 -8.709 10.076 210 H ARG 26 H ARG 26 0.997 -1.218 5.720 211 HA ARG 26 HA ARG 26 2.633 -0.500 7.899 212 HB2 ARG 26 2HB ARG 26 3.074 -2.894 8.092 213 HB3 ARG 26 1HB ARG 26 3.540 -2.967 6.397 214 HG2 ARG 26 2HG ARG 26 5.432 -1.466 6.871 215 HG3 ARG 26 1HG ARG 26 4.977 -1.460 8.573 216 HD2 ARG 26 2HD ARG 26 5.839 -3.859 6.958 217 HD3 ARG 26 1HD ARG 26 6.800 -3.023 8.177 218 HE ARG 26 HE ARG 26 4.330 -3.955 9.253 219 HH11 ARG 26 1HH1 ARG 26 7.510 -4.933 8.381 220 HH12 ARG 26 2HH1 ARG 26 7.488 -6.322 9.412 221 HH21 ARG 26 1HH2 ARG 26 4.313 -5.718 10.605 222 HH22 ARG 26 2HH2 ARG 26 5.689 -6.766 10.665 223 H GLU 27 H GLU 27 4.127 1.000 7.278 224 HA GLU 27 HA GLU 27 4.679 1.385 4.423 225 HB2 GLU 27 2HB GLU 27 5.591 3.003 6.823 226 HB3 GLU 27 1HB GLU 27 5.805 3.451 5.138 227 HG2 GLU 27 2HG GLU 27 3.415 3.681 4.851 228 HG3 GLU 27 1HG GLU 27 3.138 3.115 6.501 229 H VAL 28 H VAL 28 6.168 -0.141 3.744 230 HA VAL 28 HA VAL 28 8.221 -1.087 5.538 231 HB VAL 28 HB VAL 28 8.919 -2.577 3.736 232 HG11 VAL 28 1HG1 VAL 28 7.048 -3.252 5.156 233 HG12 VAL 28 2HG1 VAL 28 6.858 -3.879 3.520 234 HG13 VAL 28 3HG1 VAL 28 5.913 -2.485 4.044 235 HG21 VAL 28 3HG2 VAL 28 8.622 -1.109 1.819 236 HG22 VAL 28 1HG2 VAL 28 6.872 -1.131 2.044 237 HG23 VAL 28 2HG2 VAL 28 7.722 -2.606 1.581 238 H ARG 29 H ARG 29 10.440 -0.880 5.327 239 HA ARG 29 HA ARG 29 11.296 1.531 3.860 240 HB2 ARG 29 2HB ARG 29 12.329 0.302 6.424 241 HB3 ARG 29 1HB ARG 29 13.094 1.659 5.606 242 HG2 ARG 29 2HG ARG 29 11.109 3.016 5.922 243 HG3 ARG 29 1HG ARG 29 10.264 1.653 6.656 244 HD2 ARG 29 2HD ARG 29 12.816 2.813 7.772 245 HD3 ARG 29 1HD ARG 29 11.213 3.354 8.265 246 HE ARG 29 HE ARG 29 10.873 0.905 8.889 247 HH11 ARG 29 1HH1 ARG 29 13.964 2.418 8.986 248 HH12 ARG 29 2HH1 ARG 29 14.502 1.474 10.326 249 HH21 ARG 29 1HH2 ARG 29 11.584 -0.304 10.608 250 HH22 ARG 29 2HH2 ARG 29 13.182 -0.056 11.222 251 H ILE 30 H ILE 30 13.684 1.580 3.361 252 HA ILE 30 HA ILE 30 14.375 -0.746 1.793 253 HB ILE 30 HB ILE 30 15.923 1.825 2.210 254 HG12 ILE 30 2HG1 ILE 30 14.031 1.035 -0.027 255 HG13 ILE 30 1HG1 ILE 30 13.678 2.201 1.243 256 HG21 ILE 30 1HG2 ILE 30 16.217 -0.341 0.122 257 HG22 ILE 30 2HG2 ILE 30 17.366 0.050 1.404 258 HG23 ILE 30 3HG2 ILE 30 17.066 1.203 0.103 259 HD11 ILE 30 3HD1 ILE 30 15.465 3.644 0.412 260 HD12 ILE 30 1HD1 ILE 30 14.256 3.313 -0.827 261 HD13 ILE 30 2HD1 ILE 30 15.807 2.476 -0.866 262 H GLN 31 H GLN 31 16.114 -2.124 2.108 263 HA GLN 31 HA GLN 31 17.178 -2.190 4.840 264 HB2 GLN 31 2HB GLN 31 16.074 -4.203 3.863 265 HB3 GLN 31 1HB GLN 31 17.352 -4.286 2.659 266 HG2 GLN 31 2HG GLN 31 18.998 -4.549 4.510 267 HG3 GLN 31 1HG GLN 31 17.647 -4.617 5.641 268 HE21 GLN 31 1HE2 GLN 31 18.106 -6.685 6.304 269 HE22 GLN 31 2HE2 GLN 31 17.884 -8.070 5.294 270 H ASN 32 H ASN 32 19.404 -2.386 5.305 271 HA ASN 32 HA ASN 32 21.224 -1.393 3.235 272 HB2 ASN 32 2HB ASN 32 21.758 -1.923 6.174 273 HB3 ASN 32 1HB ASN 32 22.844 -1.111 5.052 274 HD21 ASN 32 1HD2 ASN 32 20.048 -0.808 7.035 275 HD22 ASN 32 2HD2 ASN 32 19.831 0.889 6.827 276 H GLU 33 H GLU 33 23.267 -2.505 2.794 277 HA GLU 33 HA GLU 33 22.994 -5.286 2.394 278 HB2 GLU 33 2HB GLU 33 25.487 -3.573 2.376 279 HB3 GLU 33 1HB GLU 33 25.406 -5.228 1.779 280 HG2 GLU 33 2HG GLU 33 23.745 -4.522 0.104 281 HG3 GLU 33 1HG GLU 33 23.884 -2.863 0.685 282 H ASP 34 H ASP 34 24.169 -3.475 5.088 283 HA ASP 34 HA ASP 34 25.559 -5.428 6.525 284 HB2 ASP 34 2HB ASP 34 25.599 -3.174 7.293 285 HB3 ASP 34 1HB ASP 34 23.843 -3.091 7.379 286 H GLY 35 H GLY 35 22.132 -5.017 5.976 287 HA2 GLY 35 2HA GLY 35 20.685 -6.981 6.281 288 HA3 GLY 35 1HA GLY 35 21.545 -7.293 7.783 289 H SER 36 H SER 36 21.611 -4.550 8.663 290 HA SER 36 HA SER 36 19.078 -4.342 9.942 291 HB2 SER 36 2HB SER 36 21.244 -2.232 9.692 292 HB3 SER 36 1HB SER 36 19.928 -2.233 10.864 293 HG SER 36 HG SER 36 22.312 -3.580 10.894 294 H VAL 37 H VAL 37 17.524 -2.593 9.767 295 HA VAL 37 HA VAL 37 16.996 -1.937 6.976 296 HB VAL 37 HB VAL 37 15.280 -1.372 9.409 297 HG11 VAL 37 1HG1 VAL 37 13.442 -1.181 7.816 298 HG12 VAL 37 2HG1 VAL 37 14.551 -1.483 6.478 299 HG13 VAL 37 3HG1 VAL 37 14.714 -0.015 7.444 300 HG21 VAL 37 3HG2 VAL 37 14.027 -3.401 8.793 301 HG22 VAL 37 1HG2 VAL 37 15.697 -3.767 9.229 302 HG23 VAL 37 2HG2 VAL 37 15.214 -3.743 7.533 303 H SER 38 H SER 38 16.677 0.159 6.172 304 HA SER 38 HA SER 38 18.173 2.267 7.543 305 HB2 SER 38 2HB SER 38 18.687 1.858 5.180 306 HB3 SER 38 1HB SER 38 17.006 2.146 4.743 307 HG SER 38 HG SER 38 18.653 3.945 4.547 308 H ASP 39 H ASP 39 17.320 4.560 7.270 309 HA ASP 39 HA ASP 39 14.596 4.776 8.222 310 HB2 ASP 39 2HB ASP 39 16.688 6.865 7.571 311 HB3 ASP 39 1HB ASP 39 15.098 7.241 8.229 312 H GLU 40 H GLU 40 16.162 4.775 5.206 313 HA GLU 40 HA GLU 40 14.426 6.378 3.652 314 HB2 GLU 40 2HB GLU 40 15.994 3.916 2.834 315 HB3 GLU 40 1HB GLU 40 15.310 5.105 1.734 316 HG2 GLU 40 2HG GLU 40 16.810 6.808 2.588 317 HG3 GLU 40 1HG GLU 40 17.453 5.674 3.777 318 H ILE 41 H ILE 41 12.455 5.943 2.721 319 HA ILE 41 HA ILE 41 11.112 3.468 3.534 320 HB ILE 41 HB ILE 41 9.931 5.905 2.174 321 HG12 ILE 41 2HG1 ILE 41 9.925 5.112 5.105 322 HG13 ILE 41 1HG1 ILE 41 10.853 6.434 4.406 323 HG21 ILE 41 1HG2 ILE 41 7.766 4.986 2.895 324 HG22 ILE 41 2HG2 ILE 41 8.587 3.569 3.552 325 HG23 ILE 41 3HG2 ILE 41 8.611 3.876 1.816 326 HD11 ILE 41 3HD1 ILE 41 7.850 6.248 4.531 327 HD12 ILE 41 1HD1 ILE 41 8.770 7.562 3.797 328 HD13 ILE 41 2HD1 ILE 41 8.886 7.267 5.532 329 H LYS 42 H LYS 42 10.238 1.978 2.111 330 HA LYS 42 HA LYS 42 11.255 2.066 -0.644 331 HB2 LYS 42 2HB LYS 42 11.820 0.085 0.663 332 HB3 LYS 42 1HB LYS 42 10.121 -0.208 1.003 333 HG2 LYS 42 2HG LYS 42 10.876 -1.737 -0.691 334 HG3 LYS 42 1HG LYS 42 9.729 -0.601 -1.402 335 HD2 LYS 42 2HD LYS 42 11.567 0.680 -2.369 336 HD3 LYS 42 1HD LYS 42 12.742 -0.392 -1.601 337 HE2 LYS 42 2HE LYS 42 12.451 -0.979 -3.949 338 HE3 LYS 42 1HE LYS 42 11.875 -2.278 -2.908 339 HZ1 LYS 42 3HZ LYS 42 9.609 -1.488 -3.258 340 HZ2 LYS 42 1HZ LYS 42 10.352 -1.878 -4.727 341 HZ3 LYS 42 2HZ LYS 42 10.176 -0.260 -4.271 342 H GLU 43 H GLU 43 8.238 1.071 1.019 343 HA GLU 43 HA GLU 43 6.575 2.467 -0.832 344 HB2 GLU 43 2HB GLU 43 5.454 0.466 -1.808 345 HB3 GLU 43 1HB GLU 43 7.120 0.665 -2.331 346 HG2 GLU 43 2HG GLU 43 7.724 -1.003 -0.499 347 HG3 GLU 43 1HG GLU 43 5.998 -1.346 -0.403 348 H ARG 44 H ARG 44 4.191 1.870 -0.466 349 HA ARG 44 HA ARG 44 3.836 1.525 2.446 350 HB2 ARG 44 2HB ARG 44 2.425 3.357 0.502 351 HB3 ARG 44 1HB ARG 44 1.878 3.093 2.154 352 HG2 ARG 44 2HG ARG 44 3.971 3.964 3.018 353 HG3 ARG 44 1HG ARG 44 4.587 4.168 1.379 354 HD2 ARG 44 2HD ARG 44 3.248 5.999 0.961 355 HD3 ARG 44 1HD ARG 44 2.023 5.506 2.132 356 HE ARG 44 HE ARG 44 3.865 6.056 3.822 357 HH11 ARG 44 1HH1 ARG 44 3.454 7.799 0.866 358 HH12 ARG 44 2HH1 ARG 44 4.038 9.268 1.560 359 HH21 ARG 44 1HH2 ARG 44 4.620 7.903 4.656 360 HH22 ARG 44 2HH2 ARG 44 4.714 9.328 3.676 361 H THR 45 H THR 45 2.798 -0.270 2.960 362 HA THR 45 HA THR 45 1.093 -1.634 1.024 363 HB THR 45 HB THR 45 2.036 -2.553 3.760 364 HG1 THR 45 HG1 THR 45 3.263 -2.465 1.315 365 HG21 THR 45 3HG2 THR 45 0.757 -4.109 1.490 366 HG22 THR 45 1HG2 THR 45 -0.010 -3.713 3.030 367 HG23 THR 45 2HG2 THR 45 1.379 -4.797 2.989 368 H TYR 46 H TYR 46 -1.059 -1.624 1.093 369 HA TYR 46 HA TYR 46 -2.468 -0.805 3.559 370 HB2 TYR 46 2HB TYR 46 -3.216 -0.169 0.688 371 HB3 TYR 46 1HB TYR 46 -4.197 0.221 2.094 372 HD1 TYR 46 HD2 TYR 46 -1.148 1.071 0.214 373 HD2 TYR 46 HD1 TYR 46 -3.618 2.084 3.531 374 HE1 TYR 46 HE2 TYR 46 -0.008 3.241 0.397 375 HE2 TYR 46 HE1 TYR 46 -2.488 4.258 3.715 376 HH TYR 46 HH TYR 46 -0.273 5.230 3.083 377 H ASP 47 H ASP 47 -4.497 -1.777 3.963 378 HA ASP 47 HA ASP 47 -4.974 -4.336 2.583 379 HB2 ASP 47 2HB ASP 47 -6.002 -3.288 5.241 380 HB3 ASP 47 1HB ASP 47 -6.378 -4.871 4.568 381 H LEU 48 H LEU 48 -6.569 -4.356 1.055 382 HA LEU 48 HA LEU 48 -8.845 -2.498 1.425 383 HB2 LEU 48 2HB LEU 48 -7.763 -3.646 -1.148 384 HB3 LEU 48 1HB LEU 48 -9.194 -2.642 -1.024 385 HG LEU 48 HG LEU 48 -6.325 -1.829 -0.546 386 HD11 LEU 48 1HD1 LEU 48 -8.423 -0.800 -2.463 387 HD12 LEU 48 2HD1 LEU 48 -7.069 -1.852 -2.876 388 HD13 LEU 48 3HD1 LEU 48 -6.766 -0.209 -2.314 389 HD21 LEU 48 3HD2 LEU 48 -7.147 0.388 0.080 390 HD22 LEU 48 1HD2 LEU 48 -7.689 -0.839 1.225 391 HD23 LEU 48 2HD2 LEU 48 -8.807 -0.201 0.021 392 H LYS 49 H LYS 49 -10.925 -3.213 1.252 393 HA LYS 49 HA LYS 49 -11.323 -6.115 1.479 394 HB2 LYS 49 2HB LYS 49 -13.316 -3.888 1.988 395 HB3 LYS 49 1HB LYS 49 -13.479 -5.576 2.450 396 HG2 LYS 49 2HG LYS 49 -11.359 -3.720 3.525 397 HG3 LYS 49 1HG LYS 49 -12.901 -4.037 4.322 398 HD2 LYS 49 2HD LYS 49 -10.847 -6.153 3.645 399 HD3 LYS 49 1HD LYS 49 -11.002 -5.379 5.223 400 HE2 LYS 49 2HE LYS 49 -13.393 -6.198 5.261 401 HE3 LYS 49 1HE LYS 49 -13.004 -7.159 3.835 402 HZ1 LYS 49 3HZ LYS 49 -11.241 -8.238 5.144 403 HZ2 LYS 49 1HZ LYS 49 -12.780 -8.492 5.803 404 HZ3 LYS 49 2HZ LYS 49 -11.733 -7.369 6.510 405 H SER 50 H SER 50 -12.126 -7.260 -0.203 406 HA SER 50 HA SER 50 -13.473 -5.832 -2.402 407 HB2 SER 50 2HB SER 50 -11.567 -7.117 -3.143 408 HB3 SER 50 1HB SER 50 -12.151 -8.557 -2.311 409 HG SER 50 HG SER 50 -13.622 -7.272 -4.375 410 H LYS 51 H LYS 51 -15.623 -5.756 -2.083 411 HA LYS 51 HA LYS 51 -17.075 -7.785 -0.663 412 HB2 LYS 51 2HB LYS 51 -17.781 -5.453 -0.556 413 HB3 LYS 51 1HB LYS 51 -18.035 -5.421 -2.295 414 HG2 LYS 51 2HG LYS 51 -20.142 -5.598 -1.074 415 HG3 LYS 51 1HG LYS 51 -19.860 -7.015 -2.089 416 HD2 LYS 51 2HD LYS 51 -18.980 -8.189 -0.045 417 HD3 LYS 51 1HD LYS 51 -19.508 -6.801 0.907 418 HE2 LYS 51 2HE LYS 51 -21.808 -7.174 0.223 419 HE3 LYS 51 1HE LYS 51 -21.309 -8.498 -0.827 420 HZ1 LYS 51 3HZ LYS 51 -21.090 -8.434 2.135 421 HZ2 LYS 51 1HZ LYS 51 -20.539 -9.696 1.150 422 HZ3 LYS 51 2HZ LYS 51 -22.190 -9.345 1.232 423 H GLY 52 H GLY 52 -18.459 -9.354 -1.444 424 HA2 GLY 52 2HA GLY 52 -19.684 -10.473 -3.182 425 HA3 GLY 52 1HA GLY 52 -18.610 -9.746 -4.369 426 H GLN 53 H GLN 53 -16.212 -10.385 -3.988 427 HA GLN 53 HA GLN 53 -15.970 -13.244 -3.934 428 HB2 GLN 53 2HB GLN 53 -13.902 -11.035 -4.025 429 HB3 GLN 53 1HB GLN 53 -13.497 -12.744 -4.099 430 HG2 GLN 53 2HG GLN 53 -15.271 -11.324 -6.082 431 HG3 GLN 53 1HG GLN 53 -13.547 -11.622 -6.306 432 HE21 GLN 53 1HE2 GLN 53 -16.706 -13.059 -6.200 433 HE22 GLN 53 2HE2 GLN 53 -16.251 -14.581 -6.875 434 H GLY 54 H GLY 54 -15.748 -10.730 -1.574 435 HA2 GLY 54 2HA GLY 54 -15.404 -10.772 0.695 436 HA3 GLY 54 1HA GLY 54 -15.555 -12.522 0.615 437 H ARG 55 H ARG 55 -13.147 -10.709 -1.171 438 HA ARG 55 HA ARG 55 -11.060 -12.127 0.364 439 HB2 ARG 55 2HB ARG 55 -9.720 -12.165 -1.656 440 HB3 ARG 55 1HB ARG 55 -11.308 -12.834 -2.005 441 HG2 ARG 55 2HG ARG 55 -11.950 -10.577 -2.911 442 HG3 ARG 55 1HG ARG 55 -10.256 -10.114 -2.756 443 HD2 ARG 55 2HD ARG 55 -11.369 -12.355 -4.447 444 HD3 ARG 55 1HD ARG 55 -10.738 -10.819 -5.028 445 HE ARG 55 HE ARG 55 -8.960 -12.636 -3.561 446 HH11 ARG 55 1HH1 ARG 55 -9.811 -11.019 -6.477 447 HH12 ARG 55 2HH1 ARG 55 -8.369 -11.478 -7.299 448 HH21 ARG 55 1HH2 ARG 55 -7.112 -13.237 -4.607 449 HH22 ARG 55 2HH2 ARG 55 -6.842 -12.740 -6.245 450 H MET 56 H MET 56 -9.141 -11.071 0.888 451 HA MET 56 HA MET 56 -9.190 -8.128 0.684 452 HB2 MET 56 2HB MET 56 -7.567 -8.224 2.627 453 HB3 MET 56 1HB MET 56 -9.210 -8.740 2.977 454 HG2 MET 56 2HG MET 56 -6.900 -10.598 2.430 455 HG3 MET 56 1HG MET 56 -7.500 -10.164 4.030 456 HE1 MET 56 3HE MET 56 -7.183 -13.177 3.088 457 HE2 MET 56 1HE MET 56 -8.699 -13.876 3.658 458 HE3 MET 56 2HE MET 56 -7.825 -12.727 4.669 459 H ILE 57 H ILE 57 -7.586 -7.085 -0.360 460 HA ILE 57 HA ILE 57 -5.370 -8.720 -1.453 461 HB ILE 57 HB ILE 57 -5.333 -7.122 -3.367 462 HG12 ILE 57 2HG1 ILE 57 -7.905 -6.089 -2.123 463 HG13 ILE 57 1HG1 ILE 57 -6.397 -5.194 -2.266 464 HG21 ILE 57 1HG2 ILE 57 -7.319 -8.024 -4.495 465 HG22 ILE 57 2HG2 ILE 57 -7.966 -8.544 -2.939 466 HG23 ILE 57 3HG2 ILE 57 -6.484 -9.268 -3.565 467 HD11 ILE 57 3HD1 ILE 57 -6.596 -5.224 -4.686 468 HD12 ILE 57 1HD1 ILE 57 -8.021 -4.507 -3.938 469 HD13 ILE 57 2HD1 ILE 57 -8.089 -6.155 -4.564 470 H GLN 58 H GLN 58 -3.256 -7.887 -1.420 471 HA GLN 58 HA GLN 58 -2.866 -5.653 0.441 472 HB2 GLN 58 2HB GLN 58 -0.948 -7.630 -0.812 473 HB3 GLN 58 1HB GLN 58 -0.422 -6.295 0.199 474 HG2 GLN 58 2HG GLN 58 -0.487 -8.316 1.497 475 HG3 GLN 58 1HG GLN 58 -1.732 -7.212 2.072 476 HE21 GLN 58 1HE2 GLN 58 -1.116 -10.159 0.305 477 HE22 GLN 58 2HE2 GLN 58 -2.717 -10.793 0.436 478 H VAL 59 H VAL 59 -3.045 -3.680 -0.506 479 HA VAL 59 HA VAL 59 -1.929 -3.297 -3.209 480 HB VAL 59 HB VAL 59 -3.842 -1.572 -1.618 481 HG11 VAL 59 1HG1 VAL 59 -4.049 -0.210 -3.664 482 HG12 VAL 59 2HG1 VAL 59 -2.756 -1.150 -4.412 483 HG13 VAL 59 3HG1 VAL 59 -2.417 -0.150 -2.999 484 HG21 VAL 59 3HG2 VAL 59 -5.443 -2.217 -3.393 485 HG22 VAL 59 1HG2 VAL 59 -4.860 -3.605 -2.472 486 HG23 VAL 59 2HG2 VAL 59 -4.219 -3.282 -4.083 487 H SER 60 H SER 60 -0.175 -2.051 -3.585 488 HA SER 60 HA SER 60 0.923 -0.522 -1.305 489 HB2 SER 60 2HB SER 60 2.134 -2.652 -1.489 490 HB3 SER 60 1HB SER 60 2.516 -2.298 -3.173 491 HG SER 60 HG SER 60 4.273 -1.609 -2.105 492 H ILE 61 H ILE 61 2.202 1.268 -1.776 493 HA ILE 61 HA ILE 61 2.400 2.124 -4.591 494 HB ILE 61 HB ILE 61 1.919 4.480 -3.862 495 HG12 ILE 61 2HG1 ILE 61 0.939 3.123 -1.329 496 HG13 ILE 61 1HG1 ILE 61 2.341 4.180 -1.447 497 HG21 ILE 61 1HG2 ILE 61 -0.518 4.223 -3.835 498 HG22 ILE 61 2HG2 ILE 61 -0.336 2.506 -3.473 499 HG23 ILE 61 3HG2 ILE 61 0.228 3.147 -5.017 500 HD11 ILE 61 3HD1 ILE 61 -0.515 4.989 -1.948 501 HD12 ILE 61 1HD1 ILE 61 0.893 6.049 -2.025 502 HD13 ILE 61 2HD1 ILE 61 0.420 5.320 -0.490 503 HA PRO 62 HA PRO 62 6.684 2.771 -3.613 504 HB2 PRO 62 2HB PRO 62 7.178 4.966 -5.255 505 HB3 PRO 62 1HB PRO 62 7.217 3.275 -5.767 506 HG2 PRO 62 2HG PRO 62 5.028 5.293 -6.049 507 HG3 PRO 62 1HG PRO 62 5.570 4.055 -7.198 508 HD2 PRO 62 2HD PRO 62 3.342 3.726 -5.742 509 HD3 PRO 62 1HD PRO 62 4.416 2.356 -6.103 510 H ALA 63 H ALA 63 8.070 4.133 -2.419 511 HA ALA 63 HA ALA 63 6.964 5.576 -0.348 512 HB1 ALA 63 3HB ALA 63 9.231 4.652 -0.341 513 HB2 ALA 63 1HB ALA 63 9.216 6.343 0.159 514 HB3 ALA 63 2HB ALA 63 9.747 5.908 -1.466 515 H SER 64 H SER 64 7.839 6.798 -3.514 516 HA SER 64 HA SER 64 7.980 9.554 -2.855 517 HB2 SER 64 2HB SER 64 7.769 9.919 -5.311 518 HB3 SER 64 1HB SER 64 8.990 8.712 -4.901 519 HG SER 64 HG SER 64 6.710 8.452 -6.363 520 H VAL 65 H VAL 65 5.290 7.455 -3.286 521 HA VAL 65 HA VAL 65 3.404 9.556 -3.955 522 HB VAL 65 HB VAL 65 2.890 6.661 -3.217 523 HG11 VAL 65 1HG1 VAL 65 1.080 8.707 -4.515 524 HG12 VAL 65 2HG1 VAL 65 0.902 8.025 -2.897 525 HG13 VAL 65 3HG1 VAL 65 0.708 6.994 -4.314 526 HG21 VAL 65 3HG2 VAL 65 3.112 7.956 -5.937 527 HG22 VAL 65 1HG2 VAL 65 2.667 6.279 -5.625 528 HG23 VAL 65 2HG2 VAL 65 4.283 6.854 -5.212 529 HA PRO 66 HA PRO 66 2.670 10.948 0.220 530 HB2 PRO 66 2HB PRO 66 0.004 11.710 -0.156 531 HB3 PRO 66 1HB PRO 66 1.421 12.714 -0.475 532 HG2 PRO 66 2HG PRO 66 -0.202 11.064 -2.372 533 HG3 PRO 66 1HG PRO 66 0.509 12.673 -2.608 534 HD2 PRO 66 2HD PRO 66 1.645 10.512 -3.682 535 HD3 PRO 66 1HD PRO 66 2.645 11.808 -2.989 536 H LEU 67 H LEU 67 1.425 10.481 2.105 537 HA LEU 67 HA LEU 67 0.595 7.739 2.294 538 HB2 LEU 67 2HB LEU 67 1.849 8.879 4.077 539 HB3 LEU 67 1HB LEU 67 0.506 9.977 4.327 540 HG LEU 67 HG LEU 67 -0.903 8.041 5.027 541 HD11 LEU 67 1HD1 LEU 67 0.304 6.284 3.827 542 HD12 LEU 67 2HD1 LEU 67 0.140 5.912 5.543 543 HD13 LEU 67 3HD1 LEU 67 1.682 6.489 4.908 544 HD21 LEU 67 3HD2 LEU 67 0.149 7.742 7.223 545 HD22 LEU 67 1HD2 LEU 67 0.191 9.425 6.703 546 HD23 LEU 67 2HD2 LEU 67 1.648 8.434 6.601 547 H LYS 68 H LYS 68 -1.430 6.912 2.143 548 HA LYS 68 HA LYS 68 -3.707 8.711 1.941 549 HB2 LYS 68 2HB LYS 68 -3.379 5.749 1.544 550 HB3 LYS 68 1HB LYS 68 -4.976 6.478 1.682 551 HG2 LYS 68 2HG LYS 68 -4.423 6.206 -0.640 552 HG3 LYS 68 1HG LYS 68 -4.463 7.922 -0.249 553 HD2 LYS 68 2HD LYS 68 -1.789 6.932 0.119 554 HD3 LYS 68 1HD LYS 68 -2.374 6.443 -1.471 555 HE2 LYS 68 2HE LYS 68 -2.368 9.260 -0.383 556 HE3 LYS 68 1HE LYS 68 -1.224 8.607 -1.549 557 HZ1 LYS 68 3HZ LYS 68 -2.972 8.351 -3.139 558 HZ2 LYS 68 1HZ LYS 68 -3.012 9.934 -2.557 559 HZ3 LYS 68 2HZ LYS 68 -4.149 8.811 -2.012 560 H GLU 69 H GLU 69 -4.980 9.247 3.535 561 HA GLU 69 HA GLU 69 -4.921 7.706 6.062 562 HB2 GLU 69 2HB GLU 69 -5.236 10.668 5.551 563 HB3 GLU 69 1HB GLU 69 -5.454 9.927 7.134 564 HG2 GLU 69 2HG GLU 69 -3.143 9.232 7.173 565 HG3 GLU 69 1HG GLU 69 -2.904 9.816 5.527 566 H PHE 70 H PHE 70 -6.745 6.778 4.313 567 HA PHE 70 HA PHE 70 -9.236 8.263 4.441 568 HB2 PHE 70 2HB PHE 70 -8.627 5.584 3.179 569 HB3 PHE 70 1HB PHE 70 -10.130 6.483 2.991 570 HD1 PHE 70 HD2 PHE 70 -8.960 9.252 2.690 571 HD2 PHE 70 HD1 PHE 70 -7.872 5.516 0.951 572 HE1 PHE 70 HE2 PHE 70 -8.012 10.431 0.748 573 HE2 PHE 70 HE1 PHE 70 -6.931 6.692 -0.990 574 HZ PHE 70 HZ PHE 70 -7.001 9.149 -1.095 575 H ASP 71 H ASP 71 -11.271 6.748 4.698 576 HA ASP 71 HA ASP 71 -11.144 5.727 7.447 577 HB2 ASP 71 2HB ASP 71 -12.719 7.524 7.049 578 HB3 ASP 71 1HB ASP 71 -13.453 6.640 5.712 579 H TYR 72 H TYR 72 -12.439 3.805 8.022 580 HA TYR 72 HA TYR 72 -11.822 1.567 6.458 581 HB2 TYR 72 2HB TYR 72 -12.183 1.416 8.868 582 HB3 TYR 72 1HB TYR 72 -13.881 1.829 8.658 583 HD1 TYR 72 HD1 TYR 72 -11.339 -0.764 7.815 584 HD2 TYR 72 HD2 TYR 72 -15.476 0.130 8.269 585 HE1 TYR 72 HE1 TYR 72 -11.877 -3.150 7.577 586 HE2 TYR 72 HE2 TYR 72 -16.022 -2.256 8.037 587 HH TYR 72 HH TYR 72 -13.717 -4.700 8.243 588 H ASN 73 H ASN 73 -14.774 3.499 6.573 589 HA ASN 73 HA ASN 73 -16.167 1.635 4.783 590 HB2 ASN 73 2HB ASN 73 -17.210 4.247 5.906 591 HB3 ASN 73 1HB ASN 73 -18.150 2.928 5.221 592 HD21 ASN 73 1HD2 ASN 73 -16.520 0.900 6.626 593 HD22 ASN 73 2HD2 ASN 73 -17.027 0.970 8.276 594 H ALA 74 H ALA 74 -13.952 3.963 4.297 595 HA ALA 74 HA ALA 74 -15.217 5.608 2.318 596 HB1 ALA 74 3HB ALA 74 -13.301 6.402 3.650 597 HB2 ALA 74 1HB ALA 74 -13.008 6.528 1.915 598 HB3 ALA 74 2HB ALA 74 -12.268 5.223 2.842 599 H ARG 75 H ARG 75 -15.327 5.371 0.156 600 HA ARG 75 HA ARG 75 -14.558 2.852 -1.041 601 HB2 ARG 75 2HB ARG 75 -15.775 5.342 -2.270 602 HB3 ARG 75 1HB ARG 75 -15.550 3.813 -3.111 603 HG2 ARG 75 2HG ARG 75 -17.091 2.719 -1.566 604 HG3 ARG 75 1HG ARG 75 -17.297 4.235 -0.685 605 HD2 ARG 75 2HD ARG 75 -18.252 5.276 -2.685 606 HD3 ARG 75 1HD ARG 75 -18.014 3.778 -3.587 607 HE ARG 75 HE ARG 75 -19.552 2.855 -1.693 608 HH11 ARG 75 1HH1 ARG 75 -19.845 5.839 -3.386 609 HH12 ARG 75 2HH1 ARG 75 -21.541 5.964 -3.098 610 HH21 ARG 75 1HH2 ARG 75 -21.747 2.996 -1.379 611 HH22 ARG 75 2HH2 ARG 75 -22.614 4.363 -1.977 612 H VAL 76 H VAL 76 -12.676 2.452 -2.107 613 HA VAL 76 HA VAL 76 -11.076 4.767 -3.006 614 HB VAL 76 HB VAL 76 -9.009 3.556 -2.321 615 HG11 VAL 76 1HG1 VAL 76 -9.955 5.339 -0.930 616 HG12 VAL 76 2HG1 VAL 76 -9.180 4.100 0.057 617 HG13 VAL 76 3HG1 VAL 76 -10.940 4.154 -0.072 618 HG21 VAL 76 3HG2 VAL 76 -9.192 1.722 -0.689 619 HG22 VAL 76 1HG2 VAL 76 -9.902 1.280 -2.241 620 HG23 VAL 76 2HG2 VAL 76 -10.944 1.720 -0.888 621 H GLU 77 H GLU 77 -9.956 4.572 -4.886 622 HA GLU 77 HA GLU 77 -9.972 1.972 -6.272 623 HB2 GLU 77 2HB GLU 77 -10.512 3.049 -8.384 624 HB3 GLU 77 1HB GLU 77 -11.764 3.396 -7.203 625 HG2 GLU 77 2HG GLU 77 -10.861 5.621 -6.849 626 HG3 GLU 77 1HG GLU 77 -9.538 5.282 -7.963 627 H LEU 78 H LEU 78 -8.432 2.100 -8.263 628 HA LEU 78 HA LEU 78 -5.941 3.372 -7.314 629 HB2 LEU 78 2HB LEU 78 -6.289 0.779 -8.831 630 HB3 LEU 78 1HB LEU 78 -4.746 1.488 -8.377 631 HG LEU 78 HG LEU 78 -6.866 0.488 -6.458 632 HD11 LEU 78 1HD1 LEU 78 -4.136 -0.617 -7.111 633 HD12 LEU 78 2HD1 LEU 78 -5.680 -1.315 -7.602 634 HD13 LEU 78 3HD1 LEU 78 -5.250 -1.242 -5.894 635 HD21 LEU 78 3HD2 LEU 78 -5.719 2.395 -5.512 636 HD22 LEU 78 1HD2 LEU 78 -4.150 1.704 -5.931 637 HD23 LEU 78 2HD2 LEU 78 -5.166 0.921 -4.719 638 H ILE 79 H ILE 79 -4.826 4.662 -8.647 639 HA ILE 79 HA ILE 79 -5.916 5.569 -11.089 640 HB ILE 79 HB ILE 79 -3.108 5.924 -10.009 641 HG12 ILE 79 2HG1 ILE 79 -4.840 6.758 -8.476 642 HG13 ILE 79 1HG1 ILE 79 -3.934 8.092 -9.180 643 HG21 ILE 79 1HG2 ILE 79 -2.990 7.891 -11.478 644 HG22 ILE 79 2HG2 ILE 79 -4.573 7.489 -12.146 645 HG23 ILE 79 3HG2 ILE 79 -3.204 6.406 -12.401 646 HD11 ILE 79 3HD1 ILE 79 -5.769 8.501 -10.748 647 HD12 ILE 79 1HD1 ILE 79 -6.300 8.600 -9.070 648 HD13 ILE 79 2HD1 ILE 79 -6.673 7.168 -10.029 649 H ASN 80 H ASN 80 -2.716 3.971 -10.712 650 HA ASN 80 HA ASN 80 -3.302 2.391 -13.135 651 HB2 ASN 80 2HB ASN 80 -0.635 3.656 -12.442 652 HB3 ASN 80 1HB ASN 80 -0.905 2.531 -13.770 653 HD21 ASN 80 1HD2 ASN 80 -1.228 5.782 -12.683 654 HD22 ASN 80 2HD2 ASN 80 -1.816 6.431 -14.170 655 HA PRO 81 HA PRO 81 -2.158 -0.551 -9.795 656 HB2 PRO 81 2HB PRO 81 -4.046 -2.387 -10.290 657 HB3 PRO 81 1HB PRO 81 -4.425 -0.875 -9.453 658 HG2 PRO 81 2HG PRO 81 -4.864 -1.603 -12.331 659 HG3 PRO 81 1HG PRO 81 -5.957 -0.763 -11.211 660 HD2 PRO 81 2HD PRO 81 -4.371 0.511 -13.071 661 HD3 PRO 81 1HD PRO 81 -4.951 1.266 -11.575 662 H ILE 82 H ILE 82 -0.746 -2.228 -9.929 663 HA ILE 82 HA ILE 82 -0.702 -3.898 -12.352 664 HB ILE 82 HB ILE 82 1.758 -4.054 -12.250 665 HG12 ILE 82 2HG1 ILE 82 1.582 -1.838 -10.180 666 HG13 ILE 82 1HG1 ILE 82 2.016 -3.509 -9.837 667 HG21 ILE 82 1HG2 ILE 82 0.778 -1.206 -12.501 668 HG22 ILE 82 2HG2 ILE 82 0.715 -2.438 -13.763 669 HG23 ILE 82 3HG2 ILE 82 2.273 -1.856 -13.179 670 HD11 ILE 82 3HD1 ILE 82 3.974 -2.086 -9.920 671 HD12 ILE 82 1HD1 ILE 82 3.574 -1.597 -11.569 672 HD13 ILE 82 2HD1 ILE 82 4.009 -3.273 -11.223 673 H ALA 83 H ALA 83 -0.826 -6.026 -11.909 674 HA ALA 83 HA ALA 83 -0.831 -7.039 -9.246 675 HB1 ALA 83 3HB ALA 83 -0.687 -8.568 -11.850 676 HB2 ALA 83 1HB ALA 83 -2.167 -8.047 -11.044 677 HB3 ALA 83 2HB ALA 83 -1.117 -9.231 -10.273 678 H ASP 84 H ASP 84 0.931 -7.362 -8.025 679 HA ASP 84 HA ASP 84 3.553 -7.346 -9.190 680 HB2 ASP 84 2HB ASP 84 3.084 -6.226 -7.044 681 HB3 ASP 84 1HB ASP 84 2.748 -7.792 -6.306 682 H THR 85 H THR 85 4.702 -9.007 -9.842 683 HA THR 85 HA THR 85 4.116 -11.716 -8.806 684 HB THR 85 HB THR 85 5.096 -12.551 -10.983 685 HG1 THR 85 HG1 THR 85 4.606 -9.969 -12.034 686 HG21 THR 85 3HG2 THR 85 3.072 -12.151 -12.302 687 HG22 THR 85 1HG2 THR 85 2.629 -10.813 -11.241 688 HG23 THR 85 2HG2 THR 85 2.659 -12.462 -10.617 689 H VAL 86 H VAL 86 5.958 -9.736 -7.659 690 HA VAL 86 HA VAL 86 8.559 -11.082 -8.099 691 HB VAL 86 HB VAL 86 8.037 -8.309 -7.002 692 HG11 VAL 86 1HG1 VAL 86 10.647 -9.696 -7.639 693 HG12 VAL 86 2HG1 VAL 86 10.045 -9.289 -6.031 694 HG13 VAL 86 3HG1 VAL 86 10.472 -8.007 -7.163 695 HG21 VAL 86 3HG2 VAL 86 9.035 -7.510 -9.103 696 HG22 VAL 86 1HG2 VAL 86 7.557 -8.433 -9.388 697 HG23 VAL 86 2HG2 VAL 86 9.131 -9.174 -9.683 698 H ALA 87 H ALA 87 6.536 -9.605 -5.555 699 HA ALA 87 HA ALA 87 8.068 -10.545 -3.360 700 HB1 ALA 87 3HB ALA 87 5.175 -9.671 -3.415 701 HB2 ALA 87 1HB ALA 87 6.571 -8.616 -3.189 702 HB3 ALA 87 2HB ALA 87 6.182 -9.837 -1.976 703 H THR 88 H THR 88 6.083 -12.256 -5.461 704 HA THR 88 HA THR 88 4.753 -14.067 -3.757 705 HB THR 88 HB THR 88 4.527 -15.527 -5.743 706 HG1 THR 88 HG1 THR 88 6.624 -15.050 -6.669 707 HG21 THR 88 3HG2 THR 88 2.971 -13.653 -5.451 708 HG22 THR 88 1HG2 THR 88 3.289 -13.951 -7.160 709 HG23 THR 88 2HG2 THR 88 4.066 -12.597 -6.341 710 H ALA 89 H ALA 89 6.089 -14.878 -2.192 711 HA ALA 89 HA ALA 89 7.340 -16.508 -1.210 712 HB1 ALA 89 3HB ALA 89 7.840 -18.544 -2.440 713 HB2 ALA 89 1HB ALA 89 7.482 -17.732 -3.966 714 HB3 ALA 89 2HB ALA 89 6.198 -18.002 -2.787 715 H THR 90 H THR 90 8.646 -14.174 -2.864 716 HA THR 90 HA THR 90 11.295 -15.100 -3.434 717 HB THR 90 HB THR 90 10.459 -13.037 -4.474 718 HG1 THR 90 HG1 THR 90 12.481 -12.428 -4.535 719 HG21 THR 90 3HG2 THR 90 9.135 -12.184 -2.572 720 HG22 THR 90 1HG2 THR 90 10.252 -10.966 -3.188 721 HG23 THR 90 2HG2 THR 90 10.626 -11.834 -1.698 722 H TYR 91 H TYR 91 9.685 -14.141 -0.534 723 HA TYR 91 HA TYR 91 12.078 -13.395 0.904 724 HB2 TYR 91 2HB TYR 91 9.267 -13.869 1.939 725 HB3 TYR 91 1HB TYR 91 10.578 -13.087 2.817 726 HD1 TYR 91 HD1 TYR 91 11.599 -10.958 1.692 727 HD2 TYR 91 HD2 TYR 91 7.769 -12.546 0.711 728 HE1 TYR 91 HE1 TYR 91 10.936 -8.781 0.761 729 HE2 TYR 91 HE2 TYR 91 7.099 -10.373 -0.219 730 HH TYR 91 HH TYR 91 9.294 -7.918 -0.919 731 H GLN 92 H GLN 92 12.667 -14.439 2.965 732 HA GLN 92 HA GLN 92 12.850 -17.325 2.588 733 HB2 GLN 92 2HB GLN 92 14.612 -17.242 4.297 734 HB3 GLN 92 1HB GLN 92 14.923 -16.109 2.991 735 HG2 GLN 92 2HG GLN 92 13.547 -15.136 5.460 736 HG3 GLN 92 1HG GLN 92 15.282 -15.424 5.500 737 HE21 GLN 92 1HE2 GLN 92 15.726 -13.239 5.812 738 HE22 GLN 92 2HE2 GLN 92 15.547 -12.072 4.554 739 H GLY 93 H GLY 93 10.449 -15.794 3.774 740 HA2 GLY 93 2HA GLY 93 9.616 -17.742 5.631 741 HA3 GLY 93 1HA GLY 93 10.202 -16.341 6.516 742 H ALA 94 H ALA 94 9.310 -14.290 4.816 743 HA ALA 94 HA ALA 94 6.553 -14.140 5.553 744 HB1 ALA 94 3HB ALA 94 8.144 -12.272 3.791 745 HB2 ALA 94 1HB ALA 94 8.031 -12.180 5.550 746 HB3 ALA 94 2HB ALA 94 6.595 -11.924 4.559 747 H ASP 95 H ASP 95 6.104 -16.225 4.243 748 HA ASP 95 HA ASP 95 5.513 -15.789 1.442 749 HB2 ASP 95 2HB ASP 95 4.774 -18.069 3.299 750 HB3 ASP 95 1HB ASP 95 4.460 -18.044 1.566 751 H VAL 96 H VAL 96 3.980 -14.206 1.188 752 HA VAL 96 HA VAL 96 1.398 -14.586 2.583 753 HB VAL 96 HB VAL 96 1.106 -12.109 2.547 754 HG11 VAL 96 1HG1 VAL 96 2.577 -11.644 4.438 755 HG12 VAL 96 2HG1 VAL 96 3.560 -13.053 4.042 756 HG13 VAL 96 3HG1 VAL 96 1.892 -13.266 4.571 757 HG21 VAL 96 3HG2 VAL 96 3.082 -10.686 2.182 758 HG22 VAL 96 1HG2 VAL 96 2.641 -11.579 0.726 759 HG23 VAL 96 2HG2 VAL 96 4.012 -12.105 1.702 760 H ASP 97 H ASP 97 -0.424 -13.380 1.501 761 HA ASP 97 HA ASP 97 -0.746 -14.355 -1.129 762 HB2 ASP 97 2HB ASP 97 -2.433 -12.384 0.430 763 HB3 ASP 97 1HB ASP 97 -2.936 -13.220 -1.039 764 H TRP 98 H TRP 98 -1.942 -12.641 -2.735 765 HA TRP 98 HA TRP 98 0.389 -11.433 -3.829 766 HB2 TRP 98 2HB TRP 98 -0.901 -11.073 -5.827 767 HB3 TRP 98 1HB TRP 98 -1.254 -12.671 -5.189 768 HD1 TRP 98 HD1 TRP 98 -3.538 -11.907 -3.095 769 HE1 TRP 98 HE1 TRP 98 -5.835 -11.135 -3.967 770 HE3 TRP 98 HE3 TRP 98 -2.170 -10.412 -7.795 771 HZ2 TRP 98 HZ2 TRP 98 -6.925 -10.049 -6.336 772 HZ3 TRP 98 HZ3 TRP 98 -3.900 -9.521 -9.303 773 HH2 TRP 98 HH2 TRP 98 -6.229 -9.346 -8.587 774 H TYR 99 H TYR 99 0.714 -9.392 -4.622 775 HA TYR 99 HA TYR 99 -0.614 -7.206 -3.159 776 HB2 TYR 99 2HB TYR 99 2.192 -7.422 -4.282 777 HB3 TYR 99 1HB TYR 99 1.510 -5.928 -3.656 778 HD1 TYR 99 HD1 TYR 99 2.336 -9.426 -2.671 779 HD2 TYR 99 HD2 TYR 99 1.672 -5.422 -1.378 780 HE1 TYR 99 HE1 TYR 99 3.113 -10.028 -0.419 781 HE2 TYR 99 HE2 TYR 99 2.437 -6.019 0.880 782 HH TYR 99 HH TYR 99 4.060 -8.909 1.568 783 H ILE 100 H ILE 100 -1.594 -5.608 -4.296 784 HA ILE 100 HA ILE 100 -1.038 -5.397 -7.192 785 HB ILE 100 HB ILE 100 -3.515 -4.421 -5.740 786 HG12 ILE 100 2HG1 ILE 100 -3.163 -6.850 -7.529 787 HG13 ILE 100 1HG1 ILE 100 -3.421 -6.888 -5.786 788 HG21 ILE 100 1HG2 ILE 100 -2.966 -3.109 -7.730 789 HG22 ILE 100 2HG2 ILE 100 -4.421 -4.069 -7.998 790 HG23 ILE 100 3HG2 ILE 100 -2.885 -4.587 -8.694 791 HD11 ILE 100 3HD1 ILE 100 -5.629 -5.879 -6.100 792 HD12 ILE 100 1HD1 ILE 100 -5.463 -7.398 -6.977 793 HD13 ILE 100 2HD1 ILE 100 -5.370 -5.868 -7.845 794 H LYS 101 H LYS 101 0.423 -3.830 -7.480 795 HA LYS 101 HA LYS 101 0.498 -1.594 -5.583 796 HB2 LYS 101 2HB LYS 101 2.564 -2.348 -7.659 797 HB3 LYS 101 1HB LYS 101 2.769 -1.241 -6.301 798 HG2 LYS 101 2HG LYS 101 2.311 -3.168 -4.768 799 HG3 LYS 101 1HG LYS 101 2.353 -4.225 -6.177 800 HD2 LYS 101 2HD LYS 101 4.608 -2.519 -5.128 801 HD3 LYS 101 1HD LYS 101 4.474 -4.274 -5.041 802 HE2 LYS 101 2HE LYS 101 4.397 -4.229 -7.592 803 HE3 LYS 101 1HE LYS 101 4.931 -2.551 -7.465 804 HZ1 LYS 101 3HZ LYS 101 6.832 -3.962 -7.741 805 HZ2 LYS 101 1HZ LYS 101 6.354 -4.950 -6.455 806 HZ3 LYS 101 2HZ LYS 101 6.848 -3.363 -6.159 807 H ALA 102 H ALA 102 0.153 0.500 -6.158 808 HA ALA 102 HA ALA 102 -0.745 0.921 -8.944 809 HB1 ALA 102 3HB ALA 102 -1.937 2.121 -6.447 810 HB2 ALA 102 1HB ALA 102 -2.622 0.789 -7.380 811 HB3 ALA 102 2HB ALA 102 -2.487 2.393 -8.100 812 H ASP 103 H ASP 103 -0.576 3.010 -9.821 813 HA ASP 103 HA ASP 103 1.661 4.583 -9.272 814 HB2 ASP 103 2HB ASP 103 0.519 4.660 -11.409 815 HB3 ASP 103 1HB ASP 103 -0.951 5.262 -10.649 816 H ASP 104 H ASP 104 -1.654 4.821 -8.089 817 HA ASP 104 HA ASP 104 -0.930 6.179 -5.721 818 HB2 ASP 104 2HB ASP 104 -0.746 8.090 -7.306 819 HB3 ASP 104 1HB ASP 104 -2.427 7.850 -7.763 820 H ILE 105 H ILE 105 -2.682 6.446 -4.276 821 HA ILE 105 HA ILE 105 -5.083 4.868 -4.967 822 HB ILE 105 HB ILE 105 -3.816 5.404 -2.270 823 HG12 ILE 105 2HG1 ILE 105 -4.064 2.851 -3.886 824 HG13 ILE 105 1HG1 ILE 105 -2.586 3.772 -3.631 825 HG21 ILE 105 1HG2 ILE 105 -6.219 5.332 -2.023 826 HG22 ILE 105 2HG2 ILE 105 -5.513 3.859 -1.360 827 HG23 ILE 105 3HG2 ILE 105 -6.302 3.826 -2.938 828 HD11 ILE 105 3HD1 ILE 105 -2.646 1.822 -2.207 829 HD12 ILE 105 1HD1 ILE 105 -4.179 2.346 -1.511 830 HD13 ILE 105 2HD1 ILE 105 -2.715 3.291 -1.234 831 H VAL 106 H VAL 106 -6.925 6.011 -5.213 832 HA VAL 106 HA VAL 106 -7.250 8.538 -3.701 833 HB VAL 106 HB VAL 106 -8.412 9.537 -5.620 834 HG11 VAL 106 1HG1 VAL 106 -6.045 9.995 -5.344 835 HG12 VAL 106 2HG1 VAL 106 -6.446 9.905 -7.059 836 HG13 VAL 106 3HG1 VAL 106 -5.630 8.554 -6.272 837 HG21 VAL 106 3HG2 VAL 106 -7.600 7.028 -7.109 838 HG22 VAL 106 1HG2 VAL 106 -8.289 8.476 -7.849 839 HG23 VAL 106 2HG2 VAL 106 -9.245 7.526 -6.714 840 H LEU 107 H LEU 107 -9.539 9.271 -3.561 841 HA LEU 107 HA LEU 107 -11.230 7.112 -2.699 842 HB2 LEU 107 2HB LEU 107 -11.642 10.099 -2.839 843 HB3 LEU 107 1HB LEU 107 -12.862 8.996 -2.232 844 HG LEU 107 HG LEU 107 -10.100 9.309 -1.041 845 HD11 LEU 107 1HD1 LEU 107 -12.747 10.395 -0.076 846 HD12 LEU 107 2HD1 LEU 107 -11.419 11.343 -0.750 847 HD13 LEU 107 3HD1 LEU 107 -11.208 10.494 0.781 848 HD21 LEU 107 3HD2 LEU 107 -12.545 7.822 -0.071 849 HD22 LEU 107 1HD2 LEU 107 -11.041 8.024 0.829 850 HD23 LEU 107 2HD2 LEU 107 -11.052 7.101 -0.671 851 H THR 108 H THR 108 -12.969 6.238 -3.655 852 HA THR 108 HA THR 108 -13.631 6.895 -6.403 853 HB THR 108 HB THR 108 -15.109 4.926 -4.634 854 HG1 THR 108 HG1 THR 108 -12.861 4.263 -6.237 855 HG21 THR 108 3HG2 THR 108 -14.587 4.993 -7.617 856 HG22 THR 108 1HG2 THR 108 -16.119 5.369 -6.825 857 HG23 THR 108 2HG2 THR 108 -15.470 3.730 -6.758 858 H LEU 109 H LEU 109 -16.012 7.156 -6.997 859 HA LEU 109 HA LEU 109 -17.190 9.346 -5.728 860 HB2 LEU 109 2HB LEU 109 -18.504 7.255 -7.474 861 HB3 LEU 109 1HB LEU 109 -19.200 8.816 -7.074 862 HG LEU 109 HG LEU 109 -16.673 8.373 -8.680 863 HD11 LEU 109 1HD1 LEU 109 -19.421 9.294 -9.532 864 HD12 LEU 109 2HD1 LEU 109 -18.670 7.743 -9.918 865 HD13 LEU 109 3HD1 LEU 109 -17.989 9.237 -10.560 866 HD21 LEU 109 3HD2 LEU 109 -18.125 10.940 -8.019 867 HD22 LEU 109 1HD2 LEU 109 -16.728 10.780 -9.085 868 HD23 LEU 109 2HD2 LEU 109 -16.568 10.436 -7.365 869 H GLU 110 H GLU 110 -17.641 9.220 -3.580 870 HA GLU 110 HA GLU 110 -19.246 7.022 -2.533 871 HB2 GLU 110 2HB GLU 110 -18.013 9.435 -1.192 872 HB3 GLU 110 1HB GLU 110 -19.004 8.253 -0.349 873 HG2 GLU 110 2HG GLU 110 -17.379 6.491 -1.014 874 HG3 GLU 110 1HG GLU 110 -16.357 7.751 -1.706 Start of MODEL 15 1 H1 MET 1 1H MET 1 8.270 14.305 -34.560 2 H2 MET 1 2H MET 1 9.728 15.144 -34.419 3 H3 MET 1 3H MET 1 8.271 15.915 -34.043 4 HA MET 1 HA MET 1 9.432 13.609 -32.587 5 HB2 MET 1 2HB MET 1 10.738 15.580 -32.128 6 HB3 MET 1 1HB MET 1 9.292 16.554 -31.896 7 HG2 MET 1 2HG MET 1 10.455 15.931 -29.789 8 HG3 MET 1 1HG MET 1 8.769 15.421 -29.857 9 HE1 MET 1 3HE MET 1 10.420 12.533 -27.794 10 HE2 MET 1 1HE MET 1 9.106 13.709 -27.857 11 HE3 MET 1 2HE MET 1 10.776 14.259 -27.718 12 H MET 2 H MET 2 8.017 12.476 -31.422 13 HA MET 2 HA MET 2 5.855 13.678 -29.988 14 HB2 MET 2 2HB MET 2 4.812 13.615 -32.218 15 HB3 MET 2 1HB MET 2 5.138 11.890 -32.331 16 HG2 MET 2 2HG MET 2 2.799 12.377 -31.757 17 HG3 MET 2 1HG MET 2 3.617 11.434 -30.514 18 HE1 MET 2 3HE MET 2 2.335 15.025 -31.535 19 HE2 MET 2 1HE MET 2 4.044 15.289 -31.189 20 HE3 MET 2 2HE MET 2 2.812 15.969 -30.126 21 H ARG 3 H ARG 3 5.171 12.367 -28.322 22 HA ARG 3 HA ARG 3 6.451 9.727 -28.104 23 HB2 ARG 3 2HB ARG 3 6.989 11.161 -26.267 24 HB3 ARG 3 1HB ARG 3 5.308 11.612 -26.035 25 HG2 ARG 3 2HG ARG 3 6.027 8.735 -25.727 26 HG3 ARG 3 1HG ARG 3 6.531 9.857 -24.465 27 HD2 ARG 3 2HD ARG 3 4.252 10.539 -24.077 28 HD3 ARG 3 1HD ARG 3 3.690 9.606 -25.463 29 HE ARG 3 HE ARG 3 4.970 7.879 -23.660 30 HH11 ARG 3 1HH1 ARG 3 2.124 9.807 -23.855 31 HH12 ARG 3 2HH1 ARG 3 1.198 8.754 -22.853 32 HH21 ARG 3 1HH2 ARG 3 3.763 6.519 -22.385 33 HH22 ARG 3 2HH2 ARG 3 2.107 6.888 -22.057 34 H LEU 4 H LEU 4 5.267 7.975 -28.495 35 HA LEU 4 HA LEU 4 2.354 8.067 -27.974 36 HB2 LEU 4 2HB LEU 4 3.856 6.438 -30.033 37 HB3 LEU 4 1HB LEU 4 2.155 6.240 -29.670 38 HG LEU 4 HG LEU 4 2.267 7.511 -31.658 39 HD11 LEU 4 1HD1 LEU 4 1.237 9.640 -31.045 40 HD12 LEU 4 2HD1 LEU 4 1.758 9.416 -29.375 41 HD13 LEU 4 3HD1 LEU 4 0.593 8.303 -30.095 42 HD21 LEU 4 3HD2 LEU 4 4.602 8.198 -31.538 43 HD22 LEU 4 1HD2 LEU 4 4.208 9.367 -30.279 44 HD23 LEU 4 2HD2 LEU 4 3.556 9.568 -31.906 45 H ALA 5 H ALA 5 1.572 5.572 -27.894 46 HA ALA 5 HA ALA 5 3.389 4.086 -26.107 47 HB1 ALA 5 3HB ALA 5 1.476 3.418 -24.738 48 HB2 ALA 5 1HB ALA 5 0.409 4.409 -25.734 49 HB3 ALA 5 2HB ALA 5 1.666 5.172 -24.761 50 H ASN 6 H ASN 6 3.986 2.858 -27.975 51 HA ASN 6 HA ASN 6 2.005 1.271 -29.353 52 HB2 ASN 6 2HB ASN 6 5.033 1.151 -29.432 53 HB3 ASN 6 1HB ASN 6 3.954 0.271 -30.511 54 HD21 ASN 6 1HD2 ASN 6 2.904 1.377 -32.143 55 HD22 ASN 6 2HD2 ASN 6 3.314 2.997 -32.582 56 H GLY 7 H GLY 7 1.115 0.288 -27.390 57 HA2 GLY 7 2HA GLY 7 2.442 -2.250 -26.815 58 HA3 GLY 7 1HA GLY 7 2.185 -1.183 -25.443 59 H ILE 8 H ILE 8 1.103 -3.843 -25.937 60 HA ILE 8 HA ILE 8 -1.787 -3.254 -26.151 61 HB ILE 8 HB ILE 8 -2.096 -5.658 -26.663 62 HG12 ILE 8 2HG1 ILE 8 0.939 -5.745 -26.734 63 HG13 ILE 8 1HG1 ILE 8 -0.079 -6.523 -25.529 64 HG21 ILE 8 1HG2 ILE 8 -1.237 -5.577 -28.948 65 HG22 ILE 8 2HG2 ILE 8 -0.158 -4.253 -28.504 66 HG23 ILE 8 3HG2 ILE 8 -1.906 -4.017 -28.465 67 HD11 ILE 8 3HD1 ILE 8 -1.048 -7.939 -27.277 68 HD12 ILE 8 1HD1 ILE 8 0.701 -8.129 -27.152 69 HD13 ILE 8 2HD1 ILE 8 0.010 -7.178 -28.467 70 H VAL 9 H VAL 9 -3.019 -5.232 -24.961 71 HA VAL 9 HA VAL 9 -2.362 -4.971 -22.162 72 HB VAL 9 HB VAL 9 -4.694 -4.884 -22.791 73 HG11 VAL 9 1HG1 VAL 9 -4.650 -6.228 -24.812 74 HG12 VAL 9 2HG1 VAL 9 -5.886 -6.833 -23.710 75 HG13 VAL 9 3HG1 VAL 9 -4.352 -7.685 -23.869 76 HG21 VAL 9 3HG2 VAL 9 -5.634 -6.559 -21.266 77 HG22 VAL 9 1HG2 VAL 9 -4.188 -5.805 -20.589 78 HG23 VAL 9 2HG2 VAL 9 -4.100 -7.429 -21.275 79 H LEU 10 H LEU 10 -0.624 -6.112 -21.517 80 HA LEU 10 HA LEU 10 0.072 -8.664 -22.581 81 HB2 LEU 10 2HB LEU 10 1.712 -8.669 -20.568 82 HB3 LEU 10 1HB LEU 10 1.962 -7.557 -21.893 83 HG LEU 10 HG LEU 10 0.429 -6.554 -19.528 84 HD11 LEU 10 1HD1 LEU 10 3.434 -6.849 -19.554 85 HD12 LEU 10 2HD1 LEU 10 2.322 -7.751 -18.524 86 HD13 LEU 10 3HD1 LEU 10 2.477 -6.004 -18.335 87 HD21 LEU 10 3HD2 LEU 10 1.525 -4.468 -20.096 88 HD22 LEU 10 1HD2 LEU 10 0.808 -5.156 -21.551 89 HD23 LEU 10 2HD2 LEU 10 2.543 -5.287 -21.280 90 H ASP 11 H ASP 11 -0.427 -8.030 -19.084 91 HA ASP 11 HA ASP 11 -1.658 -10.628 -18.790 92 HB2 ASP 11 2HB ASP 11 -0.829 -8.466 -16.885 93 HB3 ASP 11 1HB ASP 11 -1.948 -9.716 -16.345 94 H LYS 12 H LYS 12 -3.701 -10.778 -17.457 95 HA LYS 12 HA LYS 12 -5.757 -9.660 -19.070 96 HB2 LYS 12 2HB LYS 12 -5.914 -11.258 -16.500 97 HB3 LYS 12 1HB LYS 12 -7.303 -10.841 -17.489 98 HG2 LYS 12 2HG LYS 12 -6.695 -13.090 -17.977 99 HG3 LYS 12 1HG LYS 12 -6.270 -12.104 -19.373 100 HD2 LYS 12 2HD LYS 12 -3.932 -12.094 -18.683 101 HD3 LYS 12 1HD LYS 12 -4.336 -13.006 -17.228 102 HE2 LYS 12 2HE LYS 12 -4.728 -13.994 -20.054 103 HE3 LYS 12 1HE LYS 12 -3.354 -14.398 -19.028 104 HZ1 LYS 12 3HZ LYS 12 -4.887 -15.403 -17.448 105 HZ2 LYS 12 1HZ LYS 12 -5.002 -16.134 -18.971 106 HZ3 LYS 12 2HZ LYS 12 -6.191 -15.044 -18.465 107 H ASP 13 H ASP 13 -7.140 -7.996 -18.719 108 HA ASP 13 HA ASP 13 -6.562 -5.964 -16.863 109 HB2 ASP 13 2HB ASP 13 -9.159 -6.477 -18.343 110 HB3 ASP 13 1HB ASP 13 -8.714 -4.970 -17.551 111 H THR 14 H THR 14 -6.539 -6.601 -14.735 112 HA THR 14 HA THR 14 -8.399 -8.298 -13.482 113 HB THR 14 HB THR 14 -7.550 -7.363 -11.333 114 HG1 THR 14 HG1 THR 14 -7.196 -5.189 -12.273 115 HG21 THR 14 3HG2 THR 14 -5.383 -7.990 -13.356 116 HG22 THR 14 1HG2 THR 14 -6.333 -9.179 -12.462 117 HG23 THR 14 2HG2 THR 14 -5.230 -8.104 -11.602 118 H THR 15 H THR 15 -10.514 -7.919 -13.407 119 HA THR 15 HA THR 15 -11.577 -5.219 -13.353 120 HB THR 15 HB THR 15 -13.790 -6.294 -13.545 121 HG1 THR 15 HG1 THR 15 -13.634 -8.683 -13.979 122 HG21 THR 15 3HG2 THR 15 -13.466 -7.301 -15.765 123 HG22 THR 15 1HG2 THR 15 -11.728 -7.385 -15.471 124 HG23 THR 15 2HG2 THR 15 -12.530 -5.817 -15.581 125 H PHE 16 H PHE 16 -12.221 -4.133 -11.610 126 HA PHE 16 HA PHE 16 -13.073 -5.615 -9.205 127 HB2 PHE 16 2HB PHE 16 -11.194 -3.238 -9.240 128 HB3 PHE 16 1HB PHE 16 -11.942 -3.891 -7.787 129 HD1 PHE 16 HD1 PHE 16 -11.436 -6.325 -7.186 130 HD2 PHE 16 HD2 PHE 16 -9.165 -4.096 -10.022 131 HE1 PHE 16 HE1 PHE 16 -9.561 -7.896 -6.916 132 HE2 PHE 16 HE2 PHE 16 -7.292 -5.667 -9.756 133 HZ PHE 16 HZ PHE 16 -7.488 -7.570 -8.203 134 H GLY 17 H GLY 17 -14.608 -4.544 -7.882 135 HA2 GLY 17 2HA GLY 17 -16.128 -2.420 -9.218 136 HA3 GLY 17 1HA GLY 17 -16.648 -3.353 -7.823 137 H GLU 18 H GLU 18 -16.589 -2.341 -5.882 138 HA GLU 18 HA GLU 18 -14.956 0.100 -5.644 139 HB2 GLU 18 2HB GLU 18 -16.393 0.706 -3.747 140 HB3 GLU 18 1HB GLU 18 -17.336 0.426 -5.203 141 HG2 GLU 18 2HG GLU 18 -17.919 -1.819 -4.366 142 HG3 GLU 18 1HG GLU 18 -17.025 -1.477 -2.885 143 H LEU 19 H LEU 19 -13.035 -0.182 -4.723 144 HA LEU 19 HA LEU 19 -12.615 -2.314 -2.765 145 HB2 LEU 19 2HB LEU 19 -10.657 -0.329 -3.945 146 HB3 LEU 19 1HB LEU 19 -10.239 -1.670 -2.895 147 HG LEU 19 HG LEU 19 -11.407 -1.912 -5.678 148 HD11 LEU 19 1HD1 LEU 19 -9.087 -1.142 -5.691 149 HD12 LEU 19 2HD1 LEU 19 -9.215 -2.790 -6.299 150 HD13 LEU 19 3HD1 LEU 19 -8.621 -2.500 -4.664 151 HD21 LEU 19 3HD2 LEU 19 -10.997 -4.311 -5.436 152 HD22 LEU 19 1HD2 LEU 19 -12.144 -3.735 -4.225 153 HD23 LEU 19 2HD2 LEU 19 -10.471 -4.060 -3.769 154 H LYS 20 H LYS 20 -12.765 -1.943 -0.614 155 HA LYS 20 HA LYS 20 -12.866 0.869 0.246 156 HB2 LYS 20 2HB LYS 20 -13.986 -1.607 1.564 157 HB3 LYS 20 1HB LYS 20 -14.044 0.006 2.267 158 HG2 LYS 20 2HG LYS 20 -15.250 0.739 0.163 159 HG3 LYS 20 1HG LYS 20 -15.399 -0.971 -0.240 160 HD2 LYS 20 2HD LYS 20 -16.433 0.308 2.297 161 HD3 LYS 20 1HD LYS 20 -17.410 -0.038 0.872 162 HE2 LYS 20 2HE LYS 20 -16.812 -2.448 1.130 163 HE3 LYS 20 1HE LYS 20 -16.007 -2.041 2.647 164 HZ1 LYS 20 3HZ LYS 20 -18.881 -1.588 2.049 165 HZ2 LYS 20 1HZ LYS 20 -18.109 -1.237 3.512 166 HZ3 LYS 20 2HZ LYS 20 -18.266 -2.839 3.007 167 H PHE 21 H PHE 21 -11.322 1.726 1.368 168 HA PHE 21 HA PHE 21 -8.961 0.355 2.130 169 HB2 PHE 21 2HB PHE 21 -9.051 2.735 1.433 170 HB3 PHE 21 1HB PHE 21 -9.926 3.126 2.905 171 HD1 PHE 21 HD2 PHE 21 -8.773 3.143 5.072 172 HD2 PHE 21 HD1 PHE 21 -6.682 2.325 1.451 173 HE1 PHE 21 HE2 PHE 21 -6.634 3.546 6.216 174 HE2 PHE 21 HE1 PHE 21 -4.546 2.726 2.594 175 HZ PHE 21 HZ PHE 21 -4.518 3.338 4.978 176 H SER 22 H SER 22 -8.188 -0.262 4.160 177 HA SER 22 HA SER 22 -10.068 0.013 6.429 178 HB2 SER 22 2HB SER 22 -9.276 -2.186 7.252 179 HB3 SER 22 1HB SER 22 -10.058 -2.301 5.674 180 HG SER 22 HG SER 22 -8.075 -2.532 4.711 181 H ALA 23 H ALA 23 -6.635 -0.937 5.924 182 HA ALA 23 HA ALA 23 -5.720 1.301 7.516 183 HB1 ALA 23 3HB ALA 23 -4.619 -0.037 9.250 184 HB2 ALA 23 1HB ALA 23 -5.324 -1.505 8.571 185 HB3 ALA 23 2HB ALA 23 -6.368 -0.269 9.275 186 H LEU 24 H LEU 24 -3.358 1.432 7.663 187 HA LEU 24 HA LEU 24 -1.952 0.592 5.332 188 HB2 LEU 24 2HB LEU 24 -1.322 2.641 6.403 189 HB3 LEU 24 1HB LEU 24 -1.062 1.835 7.936 190 HG LEU 24 HG LEU 24 0.904 0.666 6.979 191 HD11 LEU 24 1HD1 LEU 24 1.825 1.382 4.831 192 HD12 LEU 24 2HD1 LEU 24 0.409 2.392 4.552 193 HD13 LEU 24 3HD1 LEU 24 0.240 0.638 4.632 194 HD21 LEU 24 3HD2 LEU 24 1.214 2.746 8.210 195 HD22 LEU 24 1HD2 LEU 24 0.988 3.675 6.725 196 HD23 LEU 24 2HD2 LEU 24 2.385 2.613 6.900 197 H ARG 25 H ARG 25 -1.218 -1.421 4.955 198 HA ARG 25 HA ARG 25 -1.127 -3.405 7.019 199 HB2 ARG 25 2HB ARG 25 -1.766 -3.871 4.644 200 HB3 ARG 25 1HB ARG 25 -0.092 -3.600 4.177 201 HG2 ARG 25 2HG ARG 25 -0.586 -5.979 4.353 202 HG3 ARG 25 1HG ARG 25 0.612 -5.495 5.556 203 HD2 ARG 25 2HD ARG 25 -1.048 -5.490 7.294 204 HD3 ARG 25 1HD ARG 25 -2.342 -5.729 6.123 205 HE ARG 25 HE ARG 25 -0.287 -7.794 6.535 206 HH11 ARG 25 1HH1 ARG 25 -3.565 -6.781 6.395 207 HH12 ARG 25 2HH1 ARG 25 -4.195 -8.353 6.754 208 HH21 ARG 25 1HH2 ARG 25 -1.084 -9.835 6.964 209 HH22 ARG 25 2HH2 ARG 25 -2.794 -10.078 7.067 210 H ARG 26 H ARG 26 1.442 -2.161 4.847 211 HA ARG 26 HA ARG 26 3.367 -2.110 6.980 212 HB2 ARG 26 2HB ARG 26 3.431 -4.501 6.570 213 HB3 ARG 26 1HB ARG 26 3.628 -4.240 4.840 214 HG2 ARG 26 2HG ARG 26 5.811 -3.186 5.259 215 HG3 ARG 26 1HG ARG 26 5.610 -3.482 6.982 216 HD2 ARG 26 2HD ARG 26 5.582 -5.896 6.578 217 HD3 ARG 26 1HD ARG 26 5.738 -5.613 4.841 218 HE ARG 26 HE ARG 26 7.842 -4.399 6.365 219 HH11 ARG 26 1HH1 ARG 26 6.824 -7.374 4.928 220 HH12 ARG 26 2HH1 ARG 26 8.442 -7.956 4.744 221 HH21 ARG 26 1HH2 ARG 26 9.890 -5.159 6.132 222 HH22 ARG 26 2HH2 ARG 26 10.159 -6.721 5.433 223 H GLU 27 H GLU 27 5.006 -0.728 6.550 224 HA GLU 27 HA GLU 27 5.361 0.238 3.792 225 HB2 GLU 27 2HB GLU 27 6.633 1.305 6.329 226 HB3 GLU 27 1HB GLU 27 6.633 2.069 4.747 227 HG2 GLU 27 2HG GLU 27 4.193 2.354 4.901 228 HG3 GLU 27 1HG GLU 27 4.225 1.628 6.507 229 H VAL 28 H VAL 28 6.657 -1.248 2.750 230 HA VAL 28 HA VAL 28 8.729 -2.679 4.079 231 HB VAL 28 HB VAL 28 9.434 -3.389 1.766 232 HG11 VAL 28 1HG1 VAL 28 7.834 -4.676 3.113 233 HG12 VAL 28 2HG1 VAL 28 7.456 -4.779 1.393 234 HG13 VAL 28 3HG1 VAL 28 6.505 -3.727 2.443 235 HG21 VAL 28 3HG2 VAL 28 8.712 -1.388 0.538 236 HG22 VAL 28 1HG2 VAL 28 7.029 -1.763 0.910 237 HG23 VAL 28 2HG2 VAL 28 7.968 -2.844 -0.119 238 H ARG 29 H ARG 29 10.095 -1.220 5.066 239 HA ARG 29 HA ARG 29 11.319 0.912 3.558 240 HB2 ARG 29 2HB ARG 29 11.783 0.026 6.411 241 HB3 ARG 29 1HB ARG 29 12.418 1.499 5.682 242 HG2 ARG 29 2HG ARG 29 10.046 2.198 5.244 243 HG3 ARG 29 1HG ARG 29 9.527 0.809 6.197 244 HD2 ARG 29 2HD ARG 29 10.744 1.702 8.137 245 HD3 ARG 29 1HD ARG 29 11.245 3.095 7.176 246 HE ARG 29 HE ARG 29 8.411 2.494 7.757 247 HH11 ARG 29 1HH1 ARG 29 11.019 4.743 7.502 248 HH12 ARG 29 2HH1 ARG 29 10.039 6.098 7.933 249 HH21 ARG 29 1HH2 ARG 29 7.147 4.250 8.240 250 HH22 ARG 29 2HH2 ARG 29 7.872 5.817 8.370 251 H ILE 30 H ILE 30 13.642 1.248 3.473 252 HA ILE 30 HA ILE 30 14.846 -0.983 2.181 253 HB ILE 30 HB ILE 30 16.136 1.645 2.960 254 HG12 ILE 30 2HG1 ILE 30 14.706 0.884 0.394 255 HG13 ILE 30 1HG1 ILE 30 14.068 1.963 1.629 256 HG21 ILE 30 1HG2 ILE 30 17.775 -0.042 2.349 257 HG22 ILE 30 2HG2 ILE 30 17.664 1.176 1.081 258 HG23 ILE 30 3HG2 ILE 30 16.895 -0.394 0.861 259 HD11 ILE 30 3HD1 ILE 30 14.933 3.223 -0.235 260 HD12 ILE 30 1HD1 ILE 30 16.508 2.445 -0.071 261 HD13 ILE 30 2HD1 ILE 30 15.917 3.519 1.198 262 H GLN 31 H GLN 31 15.539 -2.686 3.390 263 HA GLN 31 HA GLN 31 16.950 -2.274 5.889 264 HB2 GLN 31 2HB GLN 31 15.407 -4.213 5.529 265 HB3 GLN 31 1HB GLN 31 16.547 -4.854 4.353 266 HG2 GLN 31 2HG GLN 31 18.237 -5.110 6.054 267 HG3 GLN 31 1HG GLN 31 17.204 -4.324 7.247 268 HE21 GLN 31 1HE2 GLN 31 17.218 -6.083 8.623 269 HE22 GLN 31 2HE2 GLN 31 16.383 -7.554 8.273 270 H ASN 32 H ASN 32 18.991 -1.678 5.887 271 HA ASN 32 HA ASN 32 20.677 -1.556 3.655 272 HB2 ASN 32 2HB ASN 32 21.435 -1.522 6.592 273 HB3 ASN 32 1HB ASN 32 22.430 -0.933 5.261 274 HD21 ASN 32 1HD2 ASN 32 21.172 0.368 7.657 275 HD22 ASN 32 2HD2 ASN 32 20.351 1.740 7.005 276 H GLU 33 H GLU 33 22.855 -2.557 3.429 277 HA GLU 33 HA GLU 33 22.852 -5.344 3.315 278 HB2 GLU 33 2HB GLU 33 25.268 -5.184 2.939 279 HB3 GLU 33 1HB GLU 33 24.417 -3.932 2.044 280 HG2 GLU 33 2HG GLU 33 25.026 -2.283 3.734 281 HG3 GLU 33 1HG GLU 33 25.846 -3.532 4.670 282 H ASP 34 H ASP 34 23.783 -3.187 5.897 283 HA ASP 34 HA ASP 34 25.129 -5.054 7.558 284 HB2 ASP 34 2HB ASP 34 23.673 -2.561 8.467 285 HB3 ASP 34 1HB ASP 34 25.062 -3.335 9.227 286 H GLY 35 H GLY 35 21.886 -4.884 6.727 287 HA2 GLY 35 2HA GLY 35 20.200 -6.340 7.463 288 HA3 GLY 35 1HA GLY 35 21.132 -6.663 8.916 289 H SER 36 H SER 36 21.189 -3.415 8.678 290 HA SER 36 HA SER 36 19.111 -3.075 10.676 291 HB2 SER 36 2HB SER 36 19.960 -0.747 10.834 292 HB3 SER 36 1HB SER 36 21.244 -1.940 11.024 293 HG SER 36 HG SER 36 22.037 -0.458 9.622 294 H VAL 37 H VAL 37 17.445 -1.432 10.534 295 HA VAL 37 HA VAL 37 16.311 -1.318 7.831 296 HB VAL 37 HB VAL 37 14.992 -0.626 10.468 297 HG11 VAL 37 1HG1 VAL 37 12.892 -0.804 9.214 298 HG12 VAL 37 2HG1 VAL 37 13.798 -1.111 7.732 299 HG13 VAL 37 3HG1 VAL 37 13.934 0.451 8.538 300 HG21 VAL 37 3HG2 VAL 37 15.667 -2.973 10.404 301 HG22 VAL 37 1HG2 VAL 37 14.844 -3.177 8.855 302 HG23 VAL 37 2HG2 VAL 37 13.912 -2.817 10.309 303 H SER 38 H SER 38 16.365 0.495 6.664 304 HA SER 38 HA SER 38 17.243 3.011 7.833 305 HB2 SER 38 2HB SER 38 18.187 2.367 5.688 306 HB3 SER 38 1HB SER 38 16.580 2.238 4.974 307 HG SER 38 HG SER 38 17.685 4.235 4.498 308 H ASP 39 H ASP 39 16.076 4.993 7.716 309 HA ASP 39 HA ASP 39 13.306 4.885 8.198 310 HB2 ASP 39 2HB ASP 39 15.004 7.234 7.311 311 HB3 ASP 39 1HB ASP 39 13.369 7.360 7.954 312 H GLU 40 H GLU 40 15.129 5.256 5.244 313 HA GLU 40 HA GLU 40 13.085 6.275 3.580 314 HB2 GLU 40 2HB GLU 40 15.503 4.611 2.844 315 HB3 GLU 40 1HB GLU 40 14.500 5.504 1.706 316 HG2 GLU 40 2HG GLU 40 15.112 7.599 2.846 317 HG3 GLU 40 1HG GLU 40 16.164 6.686 3.926 318 H ILE 41 H ILE 41 11.688 5.266 2.135 319 HA ILE 41 HA ILE 41 11.064 2.454 2.790 320 HB ILE 41 HB ILE 41 9.103 4.532 1.797 321 HG12 ILE 41 2HG1 ILE 41 9.544 3.593 4.648 322 HG13 ILE 41 1HG1 ILE 41 10.012 5.169 4.021 323 HG21 ILE 41 1HG2 ILE 41 7.406 2.934 2.583 324 HG22 ILE 41 2HG2 ILE 41 8.687 1.809 3.040 325 HG23 ILE 41 3HG2 ILE 41 8.446 2.229 1.345 326 HD11 ILE 41 3HD1 ILE 41 7.659 5.682 3.586 327 HD12 ILE 41 1HD1 ILE 41 7.959 5.319 5.284 328 HD13 ILE 41 2HD1 ILE 41 7.204 4.111 4.246 329 H LYS 42 H LYS 42 10.620 0.999 1.128 330 HA LYS 42 HA LYS 42 11.269 1.734 -1.592 331 HB2 LYS 42 2HB LYS 42 10.169 -0.818 -0.385 332 HB3 LYS 42 1HB LYS 42 10.520 -0.634 -2.095 333 HG2 LYS 42 2HG LYS 42 12.558 -0.326 0.104 334 HG3 LYS 42 1HG LYS 42 12.292 -1.804 -0.826 335 HD2 LYS 42 2HD LYS 42 12.828 -0.571 -2.899 336 HD3 LYS 42 1HD LYS 42 13.147 0.876 -1.941 337 HE2 LYS 42 2HE LYS 42 14.954 -0.296 -0.775 338 HE3 LYS 42 1HE LYS 42 14.635 -1.746 -1.728 339 HZ1 LYS 42 3HZ LYS 42 16.485 -0.484 -2.628 340 HZ2 LYS 42 1HZ LYS 42 15.504 0.883 -2.806 341 HZ3 LYS 42 2HZ LYS 42 15.199 -0.505 -3.721 342 H GLU 43 H GLU 43 8.321 0.653 0.093 343 HA GLU 43 HA GLU 43 6.645 2.488 -1.258 344 HB2 GLU 43 2HB GLU 43 5.244 0.769 -2.482 345 HB3 GLU 43 1HB GLU 43 6.813 1.122 -3.187 346 HG2 GLU 43 2HG GLU 43 7.667 -0.941 -1.985 347 HG3 GLU 43 1HG GLU 43 5.975 -1.324 -1.655 348 H ARG 44 H ARG 44 4.235 1.934 -0.831 349 HA ARG 44 HA ARG 44 4.070 1.012 1.975 350 HB2 ARG 44 2HB ARG 44 2.672 3.287 0.556 351 HB3 ARG 44 1HB ARG 44 2.178 2.702 2.141 352 HG2 ARG 44 2HG ARG 44 4.273 3.328 3.107 353 HG3 ARG 44 1HG ARG 44 4.952 3.712 1.525 354 HD2 ARG 44 2HD ARG 44 3.635 5.643 1.303 355 HD3 ARG 44 1HD ARG 44 2.515 5.130 2.568 356 HE ARG 44 HE ARG 44 4.577 5.423 4.073 357 HH11 ARG 44 1HH1 ARG 44 3.910 7.402 1.320 358 HH12 ARG 44 2HH1 ARG 44 4.655 8.796 2.023 359 HH21 ARG 44 1HH2 ARG 44 5.518 7.215 4.946 360 HH22 ARG 44 2HH2 ARG 44 5.565 8.685 4.033 361 H THR 45 H THR 45 2.900 -0.774 2.232 362 HA THR 45 HA THR 45 0.892 -1.555 0.240 363 HB THR 45 HB THR 45 2.015 -3.167 2.555 364 HG1 THR 45 HG1 THR 45 3.068 -2.525 0.125 365 HG21 THR 45 3HG2 THR 45 0.401 -4.002 0.131 366 HG22 THR 45 1HG2 THR 45 -0.167 -3.981 1.798 367 HG23 THR 45 2HG2 THR 45 1.110 -5.102 1.315 368 H TYR 46 H TYR 46 -1.259 -1.592 0.646 369 HA TYR 46 HA TYR 46 -2.215 -1.085 3.402 370 HB2 TYR 46 2HB TYR 46 -3.481 -0.091 0.833 371 HB3 TYR 46 1HB TYR 46 -4.033 0.251 2.466 372 HD1 TYR 46 HD2 TYR 46 -2.764 1.814 3.900 373 HD2 TYR 46 HD1 TYR 46 -1.636 1.112 -0.145 374 HE1 TYR 46 HE2 TYR 46 -1.380 3.845 3.936 375 HE2 TYR 46 HE1 TYR 46 -0.258 3.143 -0.115 376 HH TYR 46 HH TYR 46 0.636 4.717 2.687 377 H ASP 47 H ASP 47 -4.252 -2.019 3.993 378 HA ASP 47 HA ASP 47 -4.955 -4.447 2.542 379 HB2 ASP 47 2HB ASP 47 -5.888 -3.288 5.175 380 HB3 ASP 47 1HB ASP 47 -6.576 -4.749 4.478 381 H LEU 48 H LEU 48 -6.338 -4.276 0.858 382 HA LEU 48 HA LEU 48 -8.687 -2.499 1.150 383 HB2 LEU 48 2HB LEU 48 -7.381 -3.535 -1.378 384 HB3 LEU 48 1HB LEU 48 -8.864 -2.600 -1.334 385 HG LEU 48 HG LEU 48 -6.103 -1.650 -0.546 386 HD11 LEU 48 1HD1 LEU 48 -7.958 -0.799 -2.770 387 HD12 LEU 48 2HD1 LEU 48 -6.486 -1.754 -2.951 388 HD13 LEU 48 3HD1 LEU 48 -6.387 -0.083 -2.398 389 HD21 LEU 48 3HD2 LEU 48 -7.140 0.535 -0.137 390 HD22 LEU 48 1HD2 LEU 48 -7.738 -0.692 0.979 391 HD23 LEU 48 2HD2 LEU 48 -8.734 -0.178 -0.383 392 H LYS 49 H LYS 49 -10.591 -3.471 1.458 393 HA LYS 49 HA LYS 49 -10.795 -6.361 1.019 394 HB2 LYS 49 2HB LYS 49 -12.446 -4.410 2.621 395 HB3 LYS 49 1HB LYS 49 -13.023 -6.033 2.274 396 HG2 LYS 49 2HG LYS 49 -12.056 -6.079 4.438 397 HG3 LYS 49 1HG LYS 49 -10.945 -6.919 3.360 398 HD2 LYS 49 2HD LYS 49 -9.547 -4.901 3.231 399 HD3 LYS 49 1HD LYS 49 -10.665 -4.063 4.311 400 HE2 LYS 49 2HE LYS 49 -9.005 -6.500 4.974 401 HE3 LYS 49 1HE LYS 49 -8.735 -4.858 5.552 402 HZ1 LYS 49 3HZ LYS 49 -11.050 -6.605 6.190 403 HZ2 LYS 49 1HZ LYS 49 -10.928 -4.980 6.645 404 HZ3 LYS 49 2HZ LYS 49 -9.830 -6.108 7.244 405 H SER 50 H SER 50 -12.216 -7.339 -0.323 406 HA SER 50 HA SER 50 -13.876 -5.635 -2.082 407 HB2 SER 50 2HB SER 50 -12.961 -8.488 -2.574 408 HB3 SER 50 1HB SER 50 -13.806 -7.445 -3.716 409 HG SER 50 HG SER 50 -11.600 -6.194 -2.846 410 H LYS 51 H LYS 51 -15.908 -5.536 -1.292 411 HA LYS 51 HA LYS 51 -17.110 -7.365 0.449 412 HB2 LYS 51 2HB LYS 51 -19.200 -6.193 -0.007 413 HB3 LYS 51 1HB LYS 51 -17.876 -5.046 0.163 414 HG2 LYS 51 2HG LYS 51 -17.742 -4.783 -2.241 415 HG3 LYS 51 1HG LYS 51 -18.998 -6.001 -2.469 416 HD2 LYS 51 2HD LYS 51 -20.589 -4.567 -1.260 417 HD3 LYS 51 1HD LYS 51 -19.329 -3.347 -1.059 418 HE2 LYS 51 2HE LYS 51 -20.791 -2.767 -2.913 419 HE3 LYS 51 1HE LYS 51 -19.168 -3.120 -3.496 420 HZ1 LYS 51 3HZ LYS 51 -21.482 -4.973 -3.587 421 HZ2 LYS 51 1HZ LYS 51 -19.927 -5.320 -4.146 422 HZ3 LYS 51 2HZ LYS 51 -20.845 -4.122 -4.901 423 H GLY 52 H GLY 52 -18.854 -8.860 0.137 424 HA2 GLY 52 2HA GLY 52 -20.147 -10.402 -1.029 425 HA3 GLY 52 1HA GLY 52 -19.538 -9.741 -2.537 426 H GLN 53 H GLN 53 -16.819 -10.065 -2.257 427 HA GLN 53 HA GLN 53 -16.525 -12.937 -2.555 428 HB2 GLN 53 2HB GLN 53 -15.484 -11.240 -4.108 429 HB3 GLN 53 1HB GLN 53 -14.395 -10.797 -2.802 430 HG2 GLN 53 2HG GLN 53 -13.265 -12.296 -4.290 431 HG3 GLN 53 1HG GLN 53 -13.558 -13.128 -2.765 432 HE21 GLN 53 1HE2 GLN 53 -13.404 -15.152 -3.723 433 HE22 GLN 53 2HE2 GLN 53 -14.639 -15.785 -4.748 434 H GLY 54 H GLY 54 -15.744 -10.478 -0.205 435 HA2 GLY 54 2HA GLY 54 -14.922 -10.609 1.939 436 HA3 GLY 54 1HA GLY 54 -15.205 -12.340 1.859 437 H ARG 55 H ARG 55 -13.006 -10.271 -0.026 438 HA ARG 55 HA ARG 55 -10.767 -11.989 0.870 439 HB2 ARG 55 2HB ARG 55 -9.739 -11.687 -1.323 440 HB3 ARG 55 1HB ARG 55 -11.354 -12.368 -1.493 441 HG2 ARG 55 2HG ARG 55 -12.235 -10.179 -2.099 442 HG3 ARG 55 1HG ARG 55 -10.638 -9.463 -1.884 443 HD2 ARG 55 2HD ARG 55 -9.759 -10.796 -3.712 444 HD3 ARG 55 1HD ARG 55 -11.311 -11.621 -3.888 445 HE ARG 55 HE ARG 55 -11.180 -8.710 -4.230 446 HH11 ARG 55 1HH1 ARG 55 -11.658 -11.832 -5.603 447 HH12 ARG 55 2HH1 ARG 55 -12.424 -11.210 -7.022 448 HH21 ARG 55 1HH2 ARG 55 -12.139 -7.926 -6.052 449 HH22 ARG 55 2HH2 ARG 55 -12.681 -9.013 -7.281 450 H MET 56 H MET 56 -8.770 -11.059 1.253 451 HA MET 56 HA MET 56 -8.691 -8.111 1.420 452 HB2 MET 56 2HB MET 56 -7.180 -10.205 3.014 453 HB3 MET 56 1HB MET 56 -6.878 -8.476 3.120 454 HG2 MET 56 2HG MET 56 -8.247 -9.201 4.970 455 HG3 MET 56 1HG MET 56 -9.169 -8.130 3.917 456 HE1 MET 56 3HE MET 56 -8.256 -11.928 3.428 457 HE2 MET 56 1HE MET 56 -9.712 -12.715 4.045 458 HE3 MET 56 2HE MET 56 -8.653 -11.833 5.144 459 H ILE 57 H ILE 57 -7.646 -7.327 -0.341 460 HA ILE 57 HA ILE 57 -5.413 -8.857 -1.494 461 HB ILE 57 HB ILE 57 -5.592 -7.387 -3.447 462 HG12 ILE 57 2HG1 ILE 57 -7.884 -6.077 -1.946 463 HG13 ILE 57 1HG1 ILE 57 -6.330 -5.327 -2.299 464 HG21 ILE 57 1HG2 ILE 57 -7.773 -8.145 -4.252 465 HG22 ILE 57 2HG2 ILE 57 -8.272 -8.504 -2.598 466 HG23 ILE 57 3HG2 ILE 57 -6.961 -9.419 -3.346 467 HD11 ILE 57 3HD1 ILE 57 -8.059 -4.541 -3.808 468 HD12 ILE 57 1HD1 ILE 57 -8.378 -6.196 -4.331 469 HD13 ILE 57 2HD1 ILE 57 -6.824 -5.440 -4.691 470 H GLN 58 H GLN 58 -3.331 -7.971 -1.784 471 HA GLN 58 HA GLN 58 -2.753 -5.746 0.050 472 HB2 GLN 58 2HB GLN 58 -0.928 -7.797 -1.229 473 HB3 GLN 58 1HB GLN 58 -0.391 -6.522 -0.141 474 HG2 GLN 58 2HG GLN 58 -2.333 -8.721 0.568 475 HG3 GLN 58 1HG GLN 58 -0.622 -8.675 0.999 476 HE21 GLN 58 1HE2 GLN 58 -3.062 -8.694 2.677 477 HE22 GLN 58 2HE2 GLN 58 -2.916 -7.313 3.706 478 H VAL 59 H VAL 59 -2.909 -3.822 -0.944 479 HA VAL 59 HA VAL 59 -1.761 -3.527 -3.652 480 HB VAL 59 HB VAL 59 -3.774 -1.778 -2.214 481 HG11 VAL 59 1HG1 VAL 59 -3.955 -0.545 -4.340 482 HG12 VAL 59 2HG1 VAL 59 -2.622 -1.497 -4.997 483 HG13 VAL 59 3HG1 VAL 59 -2.342 -0.410 -3.633 484 HG21 VAL 59 3HG2 VAL 59 -5.329 -2.558 -3.966 485 HG22 VAL 59 1HG2 VAL 59 -4.728 -3.884 -2.968 486 HG23 VAL 59 2HG2 VAL 59 -4.073 -3.631 -4.586 487 H SER 60 H SER 60 0.007 -2.264 -3.955 488 HA SER 60 HA SER 60 0.952 -0.670 -1.650 489 HB2 SER 60 2HB SER 60 2.143 -2.830 -1.786 490 HB3 SER 60 1HB SER 60 2.655 -2.436 -3.426 491 HG SER 60 HG SER 60 4.267 -1.465 -2.527 492 H ILE 61 H ILE 61 1.737 1.314 -2.070 493 HA ILE 61 HA ILE 61 2.068 2.126 -4.901 494 HB ILE 61 HB ILE 61 1.491 4.424 -4.195 495 HG12 ILE 61 2HG1 ILE 61 0.897 3.146 -1.507 496 HG13 ILE 61 1HG1 ILE 61 2.191 4.292 -1.843 497 HG21 ILE 61 1HG2 ILE 61 -0.602 2.371 -3.467 498 HG22 ILE 61 2HG2 ILE 61 -0.249 2.969 -5.087 499 HG23 ILE 61 3HG2 ILE 61 -0.910 4.060 -3.871 500 HD11 ILE 61 3HD1 ILE 61 -0.764 4.861 -2.001 501 HD12 ILE 61 1HD1 ILE 61 0.530 6.010 -2.349 502 HD13 ILE 61 2HD1 ILE 61 0.338 5.365 -0.719 503 HA PRO 62 HA PRO 62 6.360 2.948 -4.168 504 HB2 PRO 62 2HB PRO 62 6.639 5.282 -5.668 505 HB3 PRO 62 1HB PRO 62 6.738 3.637 -6.302 506 HG2 PRO 62 2HG PRO 62 4.433 5.545 -6.319 507 HG3 PRO 62 1HG PRO 62 4.957 4.408 -7.574 508 HD2 PRO 62 2HD PRO 62 2.846 3.875 -6.009 509 HD3 PRO 62 1HD PRO 62 3.958 2.587 -6.520 510 H ALA 63 H ALA 63 7.722 4.186 -2.865 511 HA ALA 63 HA ALA 63 6.551 5.589 -0.746 512 HB1 ALA 63 3HB ALA 63 8.686 4.431 -0.571 513 HB2 ALA 63 1HB ALA 63 8.826 6.105 -0.039 514 HB3 ALA 63 2HB ALA 63 9.434 5.630 -1.627 515 H SER 64 H SER 64 7.441 6.778 -3.846 516 HA SER 64 HA SER 64 7.820 9.519 -3.124 517 HB2 SER 64 2HB SER 64 7.101 8.322 -5.813 518 HB3 SER 64 1HB SER 64 7.698 9.959 -5.534 519 HG SER 64 HG SER 64 9.616 9.138 -5.661 520 H VAL 65 H VAL 65 5.080 7.651 -3.055 521 HA VAL 65 HA VAL 65 3.250 9.831 -3.798 522 HB VAL 65 HB VAL 65 2.622 6.929 -3.185 523 HG11 VAL 65 1HG1 VAL 65 0.715 8.378 -2.754 524 HG12 VAL 65 2HG1 VAL 65 0.431 7.417 -4.205 525 HG13 VAL 65 3HG1 VAL 65 0.885 9.115 -4.348 526 HG21 VAL 65 3HG2 VAL 65 2.855 8.331 -5.854 527 HG22 VAL 65 1HG2 VAL 65 2.329 6.665 -5.606 528 HG23 VAL 65 2HG2 VAL 65 3.980 7.137 -5.204 529 HA PRO 66 HA PRO 66 2.671 11.043 0.480 530 HB2 PRO 66 2HB PRO 66 -0.108 11.555 -0.521 531 HB3 PRO 66 1HB PRO 66 0.953 12.600 0.432 532 HG2 PRO 66 2HG PRO 66 0.639 13.046 -2.164 533 HG3 PRO 66 1HG PRO 66 2.244 13.198 -1.421 534 HD2 PRO 66 2HD PRO 66 1.147 11.011 -3.144 535 HD3 PRO 66 1HD PRO 66 2.795 11.672 -3.067 536 H LEU 67 H LEU 67 1.822 10.222 2.356 537 HA LEU 67 HA LEU 67 0.824 7.551 2.318 538 HB2 LEU 67 2HB LEU 67 2.330 8.361 4.068 539 HB3 LEU 67 1HB LEU 67 1.126 9.520 4.598 540 HG LEU 67 HG LEU 67 -0.347 7.657 5.295 541 HD11 LEU 67 1HD1 LEU 67 0.404 5.947 3.748 542 HD12 LEU 67 2HD1 LEU 67 0.545 5.379 5.410 543 HD13 LEU 67 3HD1 LEU 67 1.983 5.901 4.533 544 HD21 LEU 67 3HD2 LEU 67 0.958 6.970 7.247 545 HD22 LEU 67 1HD2 LEU 67 1.150 8.689 6.916 546 HD23 LEU 67 2HD2 LEU 67 2.431 7.560 6.475 547 H LYS 68 H LYS 68 -1.197 6.751 2.648 548 HA LYS 68 HA LYS 68 -3.429 8.604 2.433 549 HB2 LYS 68 2HB LYS 68 -3.094 5.644 2.094 550 HB3 LYS 68 1HB LYS 68 -4.702 6.304 2.369 551 HG2 LYS 68 2HG LYS 68 -4.058 5.951 -0.038 552 HG3 LYS 68 1HG LYS 68 -4.642 7.564 0.372 553 HD2 LYS 68 2HD LYS 68 -2.271 8.317 0.534 554 HD3 LYS 68 1HD LYS 68 -1.765 6.723 -0.028 555 HE2 LYS 68 2HE LYS 68 -2.745 7.051 -2.151 556 HE3 LYS 68 1HE LYS 68 -3.674 8.445 -1.595 557 HZ1 LYS 68 3HZ LYS 68 -1.690 9.719 -1.412 558 HZ2 LYS 68 1HZ LYS 68 -1.713 9.024 -2.953 559 HZ3 LYS 68 2HZ LYS 68 -0.711 8.382 -1.748 560 H GLU 69 H GLU 69 -4.846 9.097 3.961 561 HA GLU 69 HA GLU 69 -4.679 7.738 6.588 562 HB2 GLU 69 2HB GLU 69 -5.446 10.603 5.985 563 HB3 GLU 69 1HB GLU 69 -5.303 9.887 7.585 564 HG2 GLU 69 2HG GLU 69 -2.917 9.603 7.277 565 HG3 GLU 69 1HG GLU 69 -3.032 10.214 5.626 566 H PHE 70 H PHE 70 -6.434 6.950 4.377 567 HA PHE 70 HA PHE 70 -9.018 8.070 4.617 568 HB2 PHE 70 2HB PHE 70 -8.155 5.397 3.498 569 HB3 PHE 70 1HB PHE 70 -9.778 6.058 3.345 570 HD1 PHE 70 HD1 PHE 70 -9.306 8.863 2.716 571 HD2 PHE 70 HD2 PHE 70 -7.240 5.389 1.365 572 HE1 PHE 70 HE1 PHE 70 -8.657 10.053 0.660 573 HE2 PHE 70 HE2 PHE 70 -6.588 6.574 -0.691 574 HZ PHE 70 HZ PHE 70 -7.294 8.910 -1.046 575 H ASP 71 H ASP 71 -10.986 6.885 5.253 576 HA ASP 71 HA ASP 71 -10.709 6.008 7.992 577 HB2 ASP 71 2HB ASP 71 -12.392 7.682 7.320 578 HB3 ASP 71 1HB ASP 71 -13.180 6.480 6.305 579 H TYR 72 H TYR 72 -12.018 4.163 8.823 580 HA TYR 72 HA TYR 72 -11.314 1.740 7.554 581 HB2 TYR 72 2HB TYR 72 -11.667 2.122 10.027 582 HB3 TYR 72 1HB TYR 72 -13.398 2.119 9.719 583 HD1 TYR 72 HD1 TYR 72 -10.428 -0.032 8.925 584 HD2 TYR 72 HD2 TYR 72 -14.495 0.135 10.182 585 HE1 TYR 72 HE1 TYR 72 -10.438 -2.474 9.200 586 HE2 TYR 72 HE2 TYR 72 -14.517 -2.308 10.446 587 HH TYR 72 HH TYR 72 -11.685 -4.180 10.457 588 H ASN 73 H ASN 73 -12.290 0.673 5.942 589 HA ASN 73 HA ASN 73 -13.744 0.070 4.317 590 HB2 ASN 73 2HB ASN 73 -15.774 0.839 6.413 591 HB3 ASN 73 1HB ASN 73 -16.252 0.268 4.817 592 HD21 ASN 73 1HD2 ASN 73 -15.058 -0.611 7.898 593 HD22 ASN 73 2HD2 ASN 73 -15.001 -2.316 7.625 594 H ALA 74 H ALA 74 -12.612 2.726 4.332 595 HA ALA 74 HA ALA 74 -14.588 4.513 3.226 596 HB1 ALA 74 3HB ALA 74 -12.592 5.380 4.350 597 HB2 ALA 74 1HB ALA 74 -12.696 5.963 2.686 598 HB3 ALA 74 2HB ALA 74 -11.572 4.667 3.101 599 H ARG 75 H ARG 75 -15.448 4.314 1.258 600 HA ARG 75 HA ARG 75 -14.586 2.544 -0.739 601 HB2 ARG 75 2HB ARG 75 -16.409 4.951 -0.824 602 HB3 ARG 75 1HB ARG 75 -16.121 3.943 -2.236 603 HG2 ARG 75 2HG ARG 75 -17.082 2.040 -1.179 604 HG3 ARG 75 1HG ARG 75 -17.162 2.867 0.376 605 HD2 ARG 75 2HD ARG 75 -19.335 2.691 -0.927 606 HD3 ARG 75 1HD ARG 75 -18.890 4.297 -0.353 607 HE ARG 75 HE ARG 75 -18.262 4.864 -2.599 608 HH11 ARG 75 1HH1 ARG 75 -19.882 1.838 -2.315 609 HH12 ARG 75 2HH1 ARG 75 -20.449 1.871 -3.946 610 HH21 ARG 75 1HH2 ARG 75 -18.993 4.892 -4.674 611 HH22 ARG 75 2HH2 ARG 75 -19.916 3.563 -5.282 612 H VAL 76 H VAL 76 -12.669 2.659 -1.747 613 HA VAL 76 HA VAL 76 -11.809 5.257 -2.856 614 HB VAL 76 HB VAL 76 -9.458 4.626 -2.480 615 HG11 VAL 76 1HG1 VAL 76 -9.410 4.934 -0.037 616 HG12 VAL 76 2HG1 VAL 76 -11.138 4.580 0.032 617 HG13 VAL 76 3HG1 VAL 76 -10.564 6.014 -0.819 618 HG21 VAL 76 3HG2 VAL 76 -8.900 2.731 -0.995 619 HG22 VAL 76 1HG2 VAL 76 -9.657 2.201 -2.499 620 HG23 VAL 76 2HG2 VAL 76 -10.596 2.242 -1.006 621 H GLU 77 H GLU 77 -10.121 4.959 -4.612 622 HA GLU 77 HA GLU 77 -10.359 2.476 -6.129 623 HB2 GLU 77 2HB GLU 77 -10.884 3.696 -8.221 624 HB3 GLU 77 1HB GLU 77 -12.168 3.819 -7.030 625 HG2 GLU 77 2HG GLU 77 -11.499 6.064 -6.467 626 HG3 GLU 77 1HG GLU 77 -10.098 5.952 -7.528 627 H LEU 78 H LEU 78 -8.762 2.348 -7.904 628 HA LEU 78 HA LEU 78 -6.269 3.656 -7.039 629 HB2 LEU 78 2HB LEU 78 -6.698 1.114 -8.622 630 HB3 LEU 78 1HB LEU 78 -5.132 1.766 -8.163 631 HG LEU 78 HG LEU 78 -7.263 0.792 -6.244 632 HD11 LEU 78 1HD1 LEU 78 -5.710 -1.037 -5.778 633 HD12 LEU 78 2HD1 LEU 78 -4.623 -0.441 -7.034 634 HD13 LEU 78 3HD1 LEU 78 -6.227 -1.039 -7.461 635 HD21 LEU 78 3HD2 LEU 78 -5.973 2.610 -5.285 636 HD22 LEU 78 1HD2 LEU 78 -4.465 1.809 -5.732 637 HD23 LEU 78 2HD2 LEU 78 -5.530 1.082 -4.527 638 H ILE 79 H ILE 79 -5.291 5.093 -8.305 639 HA ILE 79 HA ILE 79 -6.296 6.062 -10.713 640 HB ILE 79 HB ILE 79 -3.448 6.207 -9.696 641 HG12 ILE 79 2HG1 ILE 79 -5.063 7.096 -8.081 642 HG13 ILE 79 1HG1 ILE 79 -4.121 8.404 -8.789 643 HG21 ILE 79 1HG2 ILE 79 -3.240 8.215 -11.098 644 HG22 ILE 79 2HG2 ILE 79 -4.854 7.927 -11.748 645 HG23 ILE 79 3HG2 ILE 79 -3.557 6.775 -12.064 646 HD11 ILE 79 3HD1 ILE 79 -5.988 8.947 -10.269 647 HD12 ILE 79 1HD1 ILE 79 -6.452 9.022 -8.570 648 HD13 ILE 79 2HD1 ILE 79 -6.931 7.641 -9.552 649 H ASN 80 H ASN 80 -3.270 4.137 -10.388 650 HA ASN 80 HA ASN 80 -4.008 2.697 -12.844 651 HB2 ASN 80 2HB ASN 80 -1.276 3.895 -12.319 652 HB3 ASN 80 1HB ASN 80 -1.635 2.759 -13.612 653 HD21 ASN 80 1HD2 ASN 80 -1.786 6.028 -12.587 654 HD22 ASN 80 2HD2 ASN 80 -2.498 6.665 -14.024 655 HA PRO 81 HA PRO 81 -2.689 -0.470 -9.793 656 HB2 PRO 81 2HB PRO 81 -4.679 -2.205 -10.248 657 HB3 PRO 81 1HB PRO 81 -4.923 -0.760 -9.258 658 HG2 PRO 81 2HG PRO 81 -5.666 -1.238 -12.124 659 HG3 PRO 81 1HG PRO 81 -6.608 -0.459 -10.839 660 HD2 PRO 81 2HD PRO 81 -5.165 0.913 -12.747 661 HD3 PRO 81 1HD PRO 81 -5.579 1.564 -11.148 662 H ILE 82 H ILE 82 -1.337 -2.162 -10.224 663 HA ILE 82 HA ILE 82 -1.679 -3.703 -12.700 664 HB ILE 82 HB ILE 82 0.776 -3.767 -13.094 665 HG12 ILE 82 2HG1 ILE 82 0.865 -1.523 -11.053 666 HG13 ILE 82 1HG1 ILE 82 1.519 -3.141 -10.824 667 HG21 ILE 82 1HG2 ILE 82 -0.624 -2.280 -14.422 668 HG22 ILE 82 2HG2 ILE 82 0.964 -1.563 -14.147 669 HG23 ILE 82 3HG2 ILE 82 -0.429 -1.000 -13.223 670 HD11 ILE 82 3HD1 ILE 82 3.268 -1.531 -11.337 671 HD12 ILE 82 1HD1 ILE 82 2.470 -1.132 -12.859 672 HD13 ILE 82 2HD1 ILE 82 3.135 -2.747 -12.608 673 H ALA 83 H ALA 83 -1.545 -5.858 -12.359 674 HA ALA 83 HA ALA 83 -0.931 -6.914 -9.757 675 HB1 ALA 83 3HB ALA 83 -1.465 -8.344 -12.369 676 HB2 ALA 83 1HB ALA 83 -2.659 -7.944 -11.134 677 HB3 ALA 83 2HB ALA 83 -1.381 -9.107 -10.780 678 H ASP 84 H ASP 84 1.131 -7.148 -9.037 679 HA ASP 84 HA ASP 84 3.240 -7.572 -11.071 680 HB2 ASP 84 2HB ASP 84 3.089 -5.318 -9.825 681 HB3 ASP 84 1HB ASP 84 3.678 -6.199 -8.418 682 H THR 85 H THR 85 5.190 -7.814 -8.706 683 HA THR 85 HA THR 85 5.334 -10.621 -8.738 684 HB THR 85 HB THR 85 7.370 -9.434 -8.434 685 HG1 THR 85 HG1 THR 85 7.469 -10.286 -5.874 686 HG21 THR 85 3HG2 THR 85 7.870 -8.030 -6.503 687 HG22 THR 85 1HG2 THR 85 6.248 -8.302 -5.863 688 HG23 THR 85 2HG2 THR 85 6.465 -7.408 -7.368 689 H VAL 86 H VAL 86 3.342 -11.433 -8.007 690 HA VAL 86 HA VAL 86 2.298 -11.060 -5.418 691 HB VAL 86 HB VAL 86 1.044 -13.124 -5.756 692 HG11 VAL 86 1HG1 VAL 86 1.230 -11.488 -8.294 693 HG12 VAL 86 2HG1 VAL 86 0.251 -11.108 -6.876 694 HG13 VAL 86 3HG1 VAL 86 -0.112 -12.540 -7.837 695 HG21 VAL 86 3HG2 VAL 86 1.375 -14.535 -7.727 696 HG22 VAL 86 1HG2 VAL 86 2.826 -14.504 -6.723 697 HG23 VAL 86 2HG2 VAL 86 2.761 -13.554 -8.207 698 H ALA 87 H ALA 87 2.567 -12.237 -3.497 699 HA ALA 87 HA ALA 87 5.226 -12.837 -2.884 700 HB1 ALA 87 3HB ALA 87 2.770 -13.604 -1.319 701 HB2 ALA 87 1HB ALA 87 3.591 -12.043 -1.250 702 HB3 ALA 87 2HB ALA 87 4.420 -13.501 -0.700 703 H THR 88 H THR 88 2.603 -14.993 -3.834 704 HA THR 88 HA THR 88 3.872 -17.436 -3.128 705 HB THR 88 HB THR 88 2.287 -18.537 -4.664 706 HG1 THR 88 HG1 THR 88 0.794 -17.212 -5.823 707 HG21 THR 88 3HG2 THR 88 1.523 -17.965 -2.418 708 HG22 THR 88 1HG2 THR 88 0.203 -17.807 -3.580 709 HG23 THR 88 2HG2 THR 88 1.026 -16.367 -2.978 710 H ALA 89 H ALA 89 4.373 -15.264 -5.767 711 HA ALA 89 HA ALA 89 5.660 -17.248 -7.462 712 HB1 ALA 89 3HB ALA 89 5.416 -14.256 -7.799 713 HB2 ALA 89 1HB ALA 89 4.334 -15.468 -8.482 714 HB3 ALA 89 2HB ALA 89 6.013 -15.387 -9.014 715 H THR 90 H THR 90 6.620 -14.515 -5.411 716 HA THR 90 HA THR 90 9.412 -14.767 -6.135 717 HB THR 90 HB THR 90 8.589 -12.545 -5.641 718 HG1 THR 90 HG1 THR 90 10.672 -12.528 -5.088 719 HG21 THR 90 3HG2 THR 90 8.060 -13.548 -2.838 720 HG22 THR 90 1HG2 THR 90 6.831 -13.125 -4.031 721 HG23 THR 90 2HG2 THR 90 7.901 -11.879 -3.387 722 H TYR 91 H TYR 91 7.406 -15.756 -3.381 723 HA TYR 91 HA TYR 91 9.771 -16.770 -1.976 724 HB2 TYR 91 2HB TYR 91 6.870 -16.580 -1.136 725 HB3 TYR 91 1HB TYR 91 8.132 -17.299 -0.141 726 HD1 TYR 91 HD2 TYR 91 10.287 -15.709 0.132 727 HD2 TYR 91 HD1 TYR 91 6.334 -14.360 -0.699 728 HE1 TYR 91 HE2 TYR 91 10.861 -13.494 1.028 729 HE2 TYR 91 HE1 TYR 91 6.902 -12.139 0.190 730 HH TYR 91 HH TYR 91 10.062 -11.133 0.739 731 H GLN 92 H GLN 92 10.450 -18.784 -2.259 732 HA GLN 92 HA GLN 92 8.844 -20.747 -3.629 733 HB2 GLN 92 2HB GLN 92 11.239 -20.614 -4.066 734 HB3 GLN 92 1HB GLN 92 11.595 -20.937 -2.374 735 HG2 GLN 92 2HG GLN 92 11.964 -22.909 -3.741 736 HG3 GLN 92 1HG GLN 92 10.661 -23.176 -2.586 737 HE21 GLN 92 1HE2 GLN 92 9.796 -24.850 -3.810 738 HE22 GLN 92 2HE2 GLN 92 8.954 -24.572 -5.292 739 H GLY 93 H GLY 93 7.267 -21.805 -2.581 740 HA2 GLY 93 2HA GLY 93 6.399 -23.376 -1.092 741 HA3 GLY 93 1HA GLY 93 7.887 -23.294 -0.166 742 H ALA 94 H ALA 94 5.566 -20.749 -1.066 743 HA ALA 94 HA ALA 94 4.705 -20.476 1.710 744 HB1 ALA 94 3HB ALA 94 6.017 -18.174 0.262 745 HB2 ALA 94 1HB ALA 94 6.753 -19.114 1.560 746 HB3 ALA 94 2HB ALA 94 5.321 -18.135 1.882 747 H ASP 95 H ASP 95 2.553 -20.583 1.440 748 HA ASP 95 HA ASP 95 1.216 -19.448 -0.855 749 HB2 ASP 95 2HB ASP 95 -0.853 -20.283 0.305 750 HB3 ASP 95 1HB ASP 95 0.361 -21.520 -0.000 751 H VAL 96 H VAL 96 2.224 -17.278 -0.194 752 HA VAL 96 HA VAL 96 0.709 -15.860 1.877 753 HB VAL 96 HB VAL 96 3.006 -14.797 0.217 754 HG11 VAL 96 1HG1 VAL 96 1.684 -13.067 1.318 755 HG12 VAL 96 2HG1 VAL 96 3.276 -13.200 2.067 756 HG13 VAL 96 3HG1 VAL 96 1.864 -13.894 2.867 757 HG21 VAL 96 3HG2 VAL 96 3.733 -16.812 1.399 758 HG22 VAL 96 1HG2 VAL 96 3.130 -16.149 2.918 759 HG23 VAL 96 2HG2 VAL 96 4.479 -15.371 2.089 760 H ASP 97 H ASP 97 -0.094 -13.644 1.362 761 HA ASP 97 HA ASP 97 -2.000 -13.719 -0.675 762 HB2 ASP 97 2HB ASP 97 -0.942 -11.389 0.928 763 HB3 ASP 97 1HB ASP 97 -2.389 -11.328 -0.076 764 H TRP 98 H TRP 98 -2.342 -11.869 -2.277 765 HA TRP 98 HA TRP 98 0.087 -11.689 -3.925 766 HB2 TRP 98 2HB TRP 98 -1.381 -11.473 -5.876 767 HB3 TRP 98 1HB TRP 98 -1.719 -12.944 -4.979 768 HD1 TRP 98 HD1 TRP 98 -3.890 -12.276 -2.995 769 HE1 TRP 98 HE1 TRP 98 -6.186 -11.355 -3.690 770 HE3 TRP 98 HE3 TRP 98 -2.657 -10.384 -7.582 771 HZ2 TRP 98 HZ2 TRP 98 -7.333 -10.026 -5.891 772 HZ3 TRP 98 HZ3 TRP 98 -4.422 -9.319 -8.925 773 HH2 TRP 98 HH2 TRP 98 -6.710 -9.144 -8.096 774 H TYR 99 H TYR 99 0.614 -9.791 -5.055 775 HA TYR 99 HA TYR 99 -0.258 -7.375 -3.614 776 HB2 TYR 99 2HB TYR 99 2.465 -8.174 -4.642 777 HB3 TYR 99 1HB TYR 99 2.086 -6.525 -4.161 778 HD1 TYR 99 HD1 TYR 99 2.288 -10.020 -2.904 779 HD2 TYR 99 HD2 TYR 99 2.081 -5.886 -1.890 780 HE1 TYR 99 HE1 TYR 99 2.804 -10.568 -0.564 781 HE2 TYR 99 HE2 TYR 99 2.589 -6.431 0.450 782 HH TYR 99 HH TYR 99 3.763 -9.449 1.425 783 H ILE 100 H ILE 100 -1.140 -5.806 -4.708 784 HA ILE 100 HA ILE 100 -0.737 -5.571 -7.625 785 HB ILE 100 HB ILE 100 -2.984 -4.423 -5.937 786 HG12 ILE 100 2HG1 ILE 100 -3.047 -6.820 -7.796 787 HG13 ILE 100 1HG1 ILE 100 -3.030 -6.909 -6.037 788 HG21 ILE 100 1HG2 ILE 100 -2.656 -4.584 -8.938 789 HG22 ILE 100 2HG2 ILE 100 -2.540 -3.124 -7.956 790 HG23 ILE 100 3HG2 ILE 100 -4.080 -3.975 -8.090 791 HD11 ILE 100 3HD1 ILE 100 -5.176 -5.743 -5.958 792 HD12 ILE 100 1HD1 ILE 100 -5.268 -7.227 -6.903 793 HD13 ILE 100 2HD1 ILE 100 -5.198 -5.667 -7.720 794 H LYS 101 H LYS 101 0.674 -3.962 -8.155 795 HA LYS 101 HA LYS 101 1.217 -1.817 -6.267 796 HB2 LYS 101 2HB LYS 101 2.418 -2.485 -8.963 797 HB3 LYS 101 1HB LYS 101 2.928 -1.123 -7.972 798 HG2 LYS 101 2HG LYS 101 3.625 -2.637 -6.200 799 HG3 LYS 101 1HG LYS 101 3.049 -4.021 -7.131 800 HD2 LYS 101 2HD LYS 101 5.456 -3.829 -7.360 801 HD3 LYS 101 1HD LYS 101 4.682 -3.479 -8.905 802 HE2 LYS 101 2HE LYS 101 6.459 -1.893 -8.534 803 HE3 LYS 101 1HE LYS 101 4.912 -1.053 -8.417 804 HZ1 LYS 101 3HZ LYS 101 6.615 -1.941 -6.150 805 HZ2 LYS 101 1HZ LYS 101 5.088 -1.238 -5.983 806 HZ3 LYS 101 2HZ LYS 101 6.355 -0.351 -6.658 807 H ALA 102 H ALA 102 0.598 0.296 -6.460 808 HA ALA 102 HA ALA 102 -1.069 0.996 -8.798 809 HB1 ALA 102 3HB ALA 102 -2.599 2.190 -7.320 810 HB2 ALA 102 1HB ALA 102 -1.650 1.682 -5.919 811 HB3 ALA 102 2HB ALA 102 -2.499 0.483 -6.891 812 H ASP 103 H ASP 103 -0.921 3.037 -9.592 813 HA ASP 103 HA ASP 103 1.370 4.607 -9.105 814 HB2 ASP 103 2HB ASP 103 0.057 4.526 -11.228 815 HB3 ASP 103 1HB ASP 103 -1.219 5.445 -10.439 816 H ASP 104 H ASP 104 -1.982 4.942 -7.990 817 HA ASP 104 HA ASP 104 -1.255 6.299 -5.612 818 HB2 ASP 104 2HB ASP 104 -0.960 8.218 -7.119 819 HB3 ASP 104 1HB ASP 104 -2.587 7.995 -7.747 820 H ILE 105 H ILE 105 -3.196 6.929 -4.310 821 HA ILE 105 HA ILE 105 -5.558 5.296 -5.034 822 HB ILE 105 HB ILE 105 -4.510 5.690 -2.215 823 HG12 ILE 105 2HG1 ILE 105 -4.229 3.263 -4.020 824 HG13 ILE 105 1HG1 ILE 105 -2.924 4.344 -3.545 825 HG21 ILE 105 1HG2 ILE 105 -6.615 3.806 -3.305 826 HG22 ILE 105 2HG2 ILE 105 -6.931 5.281 -2.392 827 HG23 ILE 105 3HG2 ILE 105 -6.100 3.931 -1.621 828 HD11 ILE 105 3HD1 ILE 105 -2.893 2.274 -2.271 829 HD12 ILE 105 1HD1 ILE 105 -4.525 2.596 -1.686 830 HD13 ILE 105 2HD1 ILE 105 -3.194 3.659 -1.223 831 H VAL 106 H VAL 106 -7.386 6.469 -5.173 832 HA VAL 106 HA VAL 106 -7.684 8.875 -3.473 833 HB VAL 106 HB VAL 106 -8.928 9.994 -5.271 834 HG11 VAL 106 1HG1 VAL 106 -6.523 10.406 -5.090 835 HG12 VAL 106 2HG1 VAL 106 -7.052 10.482 -6.771 836 HG13 VAL 106 3HG1 VAL 106 -6.199 9.055 -6.176 837 HG21 VAL 106 3HG2 VAL 106 -8.936 9.076 -7.559 838 HG22 VAL 106 1HG2 VAL 106 -9.815 8.043 -6.432 839 HG23 VAL 106 2HG2 VAL 106 -8.192 7.594 -6.959 840 H LEU 107 H LEU 107 -10.159 9.575 -3.541 841 HA LEU 107 HA LEU 107 -11.667 7.345 -2.516 842 HB2 LEU 107 2HB LEU 107 -12.474 10.212 -3.038 843 HB3 LEU 107 1HB LEU 107 -13.488 9.029 -2.230 844 HG LEU 107 HG LEU 107 -10.816 10.024 -1.216 845 HD11 LEU 107 1HD1 LEU 107 -12.123 11.156 0.510 846 HD12 LEU 107 2HD1 LEU 107 -13.618 10.621 -0.260 847 HD13 LEU 107 3HD1 LEU 107 -12.547 11.744 -1.099 848 HD21 LEU 107 3HD2 LEU 107 -12.840 8.168 0.049 849 HD22 LEU 107 1HD2 LEU 107 -11.400 8.813 0.839 850 HD23 LEU 107 2HD2 LEU 107 -11.237 7.723 -0.537 851 H THR 108 H THR 108 -13.511 6.355 -3.389 852 HA THR 108 HA THR 108 -13.687 6.121 -6.195 853 HB THR 108 HB THR 108 -15.948 5.448 -4.292 854 HG1 THR 108 HG1 THR 108 -13.761 3.766 -5.033 855 HG21 THR 108 3HG2 THR 108 -15.090 4.223 -6.925 856 HG22 THR 108 1HG2 THR 108 -16.451 5.324 -6.711 857 HG23 THR 108 2HG2 THR 108 -16.479 3.731 -5.951 858 H LEU 109 H LEU 109 -14.539 7.456 -7.654 859 HA LEU 109 HA LEU 109 -15.592 9.215 -8.617 860 HB2 LEU 109 2HB LEU 109 -17.685 8.697 -6.497 861 HB3 LEU 109 1HB LEU 109 -17.906 9.735 -7.896 862 HG LEU 109 HG LEU 109 -17.495 6.738 -7.919 863 HD11 LEU 109 1HD1 LEU 109 -19.741 7.483 -7.263 864 HD12 LEU 109 2HD1 LEU 109 -19.740 6.650 -8.817 865 HD13 LEU 109 3HD1 LEU 109 -19.861 8.409 -8.762 866 HD21 LEU 109 3HD2 LEU 109 -16.341 7.744 -9.821 867 HD22 LEU 109 1HD2 LEU 109 -17.805 8.628 -10.257 868 HD23 LEU 109 2HD2 LEU 109 -17.776 6.866 -10.345 869 H GLU 110 H GLU 110 -13.635 9.732 -6.633 870 HA GLU 110 HA GLU 110 -14.198 11.741 -4.806 871 HB2 GLU 110 2HB GLU 110 -12.037 10.572 -4.987 872 HB3 GLU 110 1HB GLU 110 -11.697 11.431 -6.482 873 HG2 GLU 110 2HG GLU 110 -11.769 13.566 -5.215 874 HG3 GLU 110 1HG GLU 110 -11.979 12.633 -3.733 Start of MODEL 16 1 H1 MET 1 1H MET 1 17.094 -25.462 0.833 2 H2 MET 1 2H MET 1 16.222 -24.155 1.443 3 H3 MET 1 3H MET 1 16.884 -24.075 -0.111 4 HA MET 1 HA MET 1 15.438 -25.869 -0.845 5 HB2 MET 1 2HB MET 1 14.215 -25.582 1.913 6 HB3 MET 1 1HB MET 1 13.579 -26.578 0.611 7 HG2 MET 1 2HG MET 1 15.607 -27.950 0.675 8 HG3 MET 1 1HG MET 1 16.225 -26.964 1.999 9 HE1 MET 1 3HE MET 1 13.386 -26.446 3.556 10 HE2 MET 1 1HE MET 1 14.931 -26.741 4.358 11 HE3 MET 1 2HE MET 1 13.517 -27.703 4.786 12 H MET 2 H MET 2 13.487 -25.306 -1.895 13 HA MET 2 HA MET 2 12.368 -22.649 -1.243 14 HB2 MET 2 2HB MET 2 12.929 -23.694 -4.033 15 HB3 MET 2 1HB MET 2 12.201 -22.144 -3.636 16 HG2 MET 2 2HG MET 2 14.273 -21.443 -2.550 17 HG3 MET 2 1HG MET 2 15.006 -22.997 -2.942 18 HE1 MET 2 3HE MET 2 15.326 -23.851 -5.477 19 HE2 MET 2 1HE MET 2 14.996 -22.852 -6.892 20 HE3 MET 2 2HE MET 2 13.665 -23.432 -5.891 21 H ARG 3 H ARG 3 10.171 -22.548 -1.207 22 HA ARG 3 HA ARG 3 8.631 -24.931 -1.767 23 HB2 ARG 3 2HB ARG 3 7.877 -22.189 -0.750 24 HB3 ARG 3 1HB ARG 3 6.671 -23.413 -1.121 25 HG2 ARG 3 2HG ARG 3 8.885 -23.671 0.908 26 HG3 ARG 3 1HG ARG 3 7.182 -23.368 1.255 27 HD2 ARG 3 2HD ARG 3 8.389 -25.851 0.031 28 HD3 ARG 3 1HD ARG 3 7.628 -25.703 1.614 29 HE ARG 3 HE ARG 3 5.720 -24.963 -0.264 30 HH11 ARG 3 1HH1 ARG 3 7.487 -27.781 0.624 31 HH12 ARG 3 2HH1 ARG 3 6.296 -28.864 -0.002 32 HH21 ARG 3 1HH2 ARG 3 4.199 -26.351 -1.073 33 HH22 ARG 3 2HH2 ARG 3 4.447 -28.058 -0.959 34 H LEU 4 H LEU 4 6.779 -24.972 -3.178 35 HA LEU 4 HA LEU 4 7.313 -23.509 -5.668 36 HB2 LEU 4 2HB LEU 4 5.727 -26.028 -5.141 37 HB3 LEU 4 1HB LEU 4 5.840 -25.253 -6.710 38 HG LEU 4 HG LEU 4 7.370 -27.064 -6.740 39 HD11 LEU 4 1HD1 LEU 4 8.204 -25.012 -7.757 40 HD12 LEU 4 2HD1 LEU 4 9.522 -25.972 -7.082 41 HD13 LEU 4 3HD1 LEU 4 8.944 -24.542 -6.225 42 HD21 LEU 4 3HD2 LEU 4 7.508 -27.419 -4.301 43 HD22 LEU 4 1HD2 LEU 4 8.586 -26.029 -4.176 44 HD23 LEU 4 2HD2 LEU 4 9.087 -27.457 -5.081 45 H ALA 5 H ALA 5 5.641 -22.516 -6.863 46 HA ALA 5 HA ALA 5 3.354 -21.672 -5.193 47 HB1 ALA 5 3HB ALA 5 4.964 -19.879 -5.665 48 HB2 ALA 5 1HB ALA 5 3.389 -19.551 -6.391 49 HB3 ALA 5 2HB ALA 5 4.725 -20.121 -7.395 50 H ASN 6 H ASN 6 1.933 -23.301 -5.903 51 HA ASN 6 HA ASN 6 0.790 -22.743 -8.556 52 HB2 ASN 6 2HB ASN 6 0.296 -25.137 -8.883 53 HB3 ASN 6 1HB ASN 6 2.028 -24.845 -8.773 54 HD21 ASN 6 1HD2 ASN 6 0.395 -27.251 -8.269 55 HD22 ASN 6 2HD2 ASN 6 0.812 -27.756 -6.671 56 H GLY 7 H GLY 7 -1.508 -23.847 -8.671 57 HA2 GLY 7 2HA GLY 7 -3.643 -24.035 -7.762 58 HA3 GLY 7 1HA GLY 7 -2.948 -23.869 -6.157 59 H ILE 8 H ILE 8 -2.332 -21.544 -8.693 60 HA ILE 8 HA ILE 8 -3.559 -19.444 -7.090 61 HB ILE 8 HB ILE 8 -2.543 -17.882 -8.698 62 HG12 ILE 8 2HG1 ILE 8 -1.497 -20.384 -10.073 63 HG13 ILE 8 1HG1 ILE 8 -2.709 -19.285 -10.725 64 HG21 ILE 8 1HG2 ILE 8 -0.196 -18.341 -8.141 65 HG22 ILE 8 2HG2 ILE 8 -0.630 -19.984 -7.668 66 HG23 ILE 8 3HG2 ILE 8 -1.259 -18.610 -6.760 67 HD11 ILE 8 3HD1 ILE 8 -1.050 -17.497 -10.789 68 HD12 ILE 8 1HD1 ILE 8 -0.545 -18.900 -11.733 69 HD13 ILE 8 2HD1 ILE 8 0.164 -18.604 -10.146 70 H VAL 9 H VAL 9 -4.942 -17.796 -8.112 71 HA VAL 9 HA VAL 9 -6.901 -19.079 -9.905 72 HB VAL 9 HB VAL 9 -7.275 -16.658 -8.122 73 HG11 VAL 9 1HG1 VAL 9 -8.784 -16.647 -10.050 74 HG12 VAL 9 2HG1 VAL 9 -9.671 -16.958 -8.560 75 HG13 VAL 9 3HG1 VAL 9 -9.308 -18.286 -9.660 76 HG21 VAL 9 3HG2 VAL 9 -6.903 -18.665 -6.793 77 HG22 VAL 9 1HG2 VAL 9 -8.147 -19.523 -7.701 78 HG23 VAL 9 2HG2 VAL 9 -8.587 -18.156 -6.675 79 H LEU 10 H LEU 10 -7.187 -18.365 -11.910 80 HA LEU 10 HA LEU 10 -5.704 -16.084 -12.909 81 HB2 LEU 10 2HB LEU 10 -7.602 -17.967 -14.330 82 HB3 LEU 10 1HB LEU 10 -6.578 -16.776 -15.111 83 HG LEU 10 HG LEU 10 -5.610 -19.187 -13.560 84 HD11 LEU 10 1HD1 LEU 10 -6.615 -19.803 -15.694 85 HD12 LEU 10 2HD1 LEU 10 -4.865 -20.018 -15.742 86 HD13 LEU 10 3HD1 LEU 10 -5.603 -18.621 -16.528 87 HD21 LEU 10 3HD2 LEU 10 -4.069 -17.284 -13.371 88 HD22 LEU 10 1HD2 LEU 10 -4.035 -17.140 -15.132 89 HD23 LEU 10 2HD2 LEU 10 -3.385 -18.581 -14.349 90 H ASP 11 H ASP 11 -7.059 -14.763 -14.695 91 HA ASP 11 HA ASP 11 -8.805 -13.102 -13.241 92 HB2 ASP 11 2HB ASP 11 -7.513 -12.207 -15.081 93 HB3 ASP 11 1HB ASP 11 -8.319 -13.275 -16.226 94 H LYS 12 H LYS 12 -10.996 -12.575 -13.645 95 HA LYS 12 HA LYS 12 -12.751 -14.429 -15.004 96 HB2 LYS 12 2HB LYS 12 -12.387 -15.625 -12.894 97 HB3 LYS 12 1HB LYS 12 -12.827 -14.190 -11.979 98 HG2 LYS 12 2HG LYS 12 -15.104 -14.321 -12.784 99 HG3 LYS 12 1HG LYS 12 -14.685 -15.678 -13.834 100 HD2 LYS 12 2HD LYS 12 -14.505 -15.696 -10.814 101 HD3 LYS 12 1HD LYS 12 -15.834 -16.378 -11.751 102 HE2 LYS 12 2HE LYS 12 -14.200 -17.894 -12.866 103 HE3 LYS 12 1HE LYS 12 -12.944 -17.264 -11.800 104 HZ1 LYS 12 3HZ LYS 12 -13.886 -19.362 -11.007 105 HZ2 LYS 12 1HZ LYS 12 -15.411 -18.642 -10.891 106 HZ3 LYS 12 2HZ LYS 12 -14.147 -18.105 -9.905 107 H ASP 13 H ASP 13 -12.343 -11.703 -12.826 108 HA ASP 13 HA ASP 13 -14.115 -10.106 -14.458 109 HB2 ASP 13 2HB ASP 13 -15.643 -11.100 -12.762 110 HB3 ASP 13 1HB ASP 13 -14.656 -10.399 -11.483 111 H THR 14 H THR 14 -12.016 -9.214 -14.912 112 HA THR 14 HA THR 14 -10.271 -8.129 -12.997 113 HB THR 14 HB THR 14 -9.519 -8.592 -15.266 114 HG1 THR 14 HG1 THR 14 -8.762 -6.175 -15.625 115 HG21 THR 14 3HG2 THR 14 -10.127 -7.107 -17.140 116 HG22 THR 14 1HG2 THR 14 -11.280 -6.271 -16.098 117 HG23 THR 14 2HG2 THR 14 -11.532 -7.968 -16.508 118 H THR 15 H THR 15 -13.241 -6.853 -14.229 119 HA THR 15 HA THR 15 -12.685 -4.091 -13.642 120 HB THR 15 HB THR 15 -15.127 -3.733 -13.937 121 HG1 THR 15 HG1 THR 15 -15.432 -6.173 -13.236 122 HG21 THR 15 3HG2 THR 15 -15.236 -4.389 -16.313 123 HG22 THR 15 1HG2 THR 15 -13.827 -5.423 -16.082 124 HG23 THR 15 2HG2 THR 15 -13.677 -3.675 -15.895 125 H PHE 16 H PHE 16 -11.986 -3.972 -11.513 126 HA PHE 16 HA PHE 16 -13.294 -5.152 -9.304 127 HB2 PHE 16 2HB PHE 16 -11.487 -2.719 -9.401 128 HB3 PHE 16 1HB PHE 16 -11.975 -3.547 -7.927 129 HD1 PHE 16 HD2 PHE 16 -11.273 -5.950 -7.597 130 HD2 PHE 16 HD1 PHE 16 -9.659 -3.485 -10.675 131 HE1 PHE 16 HE2 PHE 16 -9.363 -7.485 -7.824 132 HE2 PHE 16 HE1 PHE 16 -7.748 -5.015 -10.902 133 HZ PHE 16 HZ PHE 16 -7.597 -7.019 -9.477 134 H GLY 17 H GLY 17 -15.243 -4.702 -8.494 135 HA2 GLY 17 2HA GLY 17 -16.741 -2.388 -9.230 136 HA3 GLY 17 1HA GLY 17 -17.207 -3.588 -8.038 137 H GLU 18 H GLU 18 -17.151 -3.014 -5.910 138 HA GLU 18 HA GLU 18 -16.190 -0.322 -5.293 139 HB2 GLU 18 2HB GLU 18 -18.469 -0.822 -4.630 140 HB3 GLU 18 1HB GLU 18 -17.932 -2.228 -3.717 141 HG2 GLU 18 2HG GLU 18 -16.719 -0.800 -2.179 142 HG3 GLU 18 1HG GLU 18 -17.178 0.625 -3.106 143 H LEU 19 H LEU 19 -14.331 0.030 -4.307 144 HA LEU 19 HA LEU 19 -13.153 -2.059 -2.563 145 HB2 LEU 19 2HB LEU 19 -11.701 0.114 -4.091 146 HB3 LEU 19 1HB LEU 19 -10.956 -1.131 -3.106 147 HG LEU 19 HG LEU 19 -12.474 -1.598 -5.681 148 HD11 LEU 19 1HD1 LEU 19 -10.295 -2.178 -6.627 149 HD12 LEU 19 2HD1 LEU 19 -9.513 -1.744 -5.106 150 HD13 LEU 19 3HD1 LEU 19 -10.327 -0.506 -6.064 151 HD21 LEU 19 3HD2 LEU 19 -11.637 -3.908 -5.499 152 HD22 LEU 19 1HD2 LEU 19 -12.727 -3.486 -4.178 153 HD23 LEU 19 2HD2 LEU 19 -10.985 -3.535 -3.901 154 H LYS 20 H LYS 20 -12.603 -1.454 -0.467 155 HA LYS 20 HA LYS 20 -12.901 1.399 0.236 156 HB2 LYS 20 2HB LYS 20 -14.136 -0.883 1.796 157 HB3 LYS 20 1HB LYS 20 -14.209 0.822 2.222 158 HG2 LYS 20 2HG LYS 20 -15.382 1.180 -0.008 159 HG3 LYS 20 1HG LYS 20 -15.530 -0.574 -0.094 160 HD2 LYS 20 2HD LYS 20 -16.630 1.206 2.087 161 HD3 LYS 20 1HD LYS 20 -17.561 0.445 0.799 162 HE2 LYS 20 2HE LYS 20 -16.952 -1.767 1.673 163 HE3 LYS 20 1HE LYS 20 -16.029 -0.998 2.966 164 HZ1 LYS 20 3HZ LYS 20 -18.941 -0.631 2.523 165 HZ2 LYS 20 1HZ LYS 20 -18.042 -0.015 3.813 166 HZ3 LYS 20 2HZ LYS 20 -18.272 -1.680 3.664 167 H PHE 21 H PHE 21 -11.546 2.179 1.782 168 HA PHE 21 HA PHE 21 -9.177 0.708 2.371 169 HB2 PHE 21 2HB PHE 21 -9.129 3.126 2.032 170 HB3 PHE 21 1HB PHE 21 -10.167 3.370 3.431 171 HD1 PHE 21 HD1 PHE 21 -6.833 2.048 2.431 172 HD2 PHE 21 HD2 PHE 21 -9.226 3.692 5.553 173 HE1 PHE 21 HE1 PHE 21 -4.844 2.222 3.864 174 HE2 PHE 21 HE2 PHE 21 -7.235 3.867 6.984 175 HZ PHE 21 HZ PHE 21 -5.045 3.132 6.143 176 H SER 22 H SER 22 -8.487 -0.301 4.243 177 HA SER 22 HA SER 22 -10.326 -0.245 6.560 178 HB2 SER 22 2HB SER 22 -9.813 -2.599 7.000 179 HB3 SER 22 1HB SER 22 -10.492 -2.408 5.386 180 HG SER 22 HG SER 22 -8.232 -3.565 6.031 181 H ALA 23 H ALA 23 -6.981 -1.312 5.778 182 HA ALA 23 HA ALA 23 -5.956 0.249 8.029 183 HB1 ALA 23 3HB ALA 23 -5.586 -2.750 7.947 184 HB2 ALA 23 1HB ALA 23 -6.680 -1.889 9.032 185 HB3 ALA 23 2HB ALA 23 -4.937 -1.640 9.158 186 H LEU 24 H LEU 24 -3.448 -0.564 8.291 187 HA LEU 24 HA LEU 24 -2.243 -0.291 5.617 188 HB2 LEU 24 2HB LEU 24 -1.685 1.476 7.216 189 HB3 LEU 24 1HB LEU 24 -1.130 0.282 8.374 190 HG LEU 24 HG LEU 24 0.676 -0.355 6.747 191 HD11 LEU 24 1HD1 LEU 24 1.215 1.181 4.937 192 HD12 LEU 24 2HD1 LEU 24 -0.242 2.114 5.280 193 HD13 LEU 24 3HD1 LEU 24 -0.374 0.453 4.702 194 HD21 LEU 24 3HD2 LEU 24 1.135 1.120 8.631 195 HD22 LEU 24 1HD2 LEU 24 0.655 2.523 7.673 196 HD23 LEU 24 2HD2 LEU 24 2.084 1.591 7.224 197 H ARG 25 H ARG 25 -1.215 -2.010 4.762 198 HA ARG 25 HA ARG 25 -1.004 -4.480 6.185 199 HB2 ARG 25 2HB ARG 25 -1.518 -4.583 3.856 200 HB3 ARG 25 1HB ARG 25 -0.124 -3.602 3.434 201 HG2 ARG 25 2HG ARG 25 0.259 -5.908 2.825 202 HG3 ARG 25 1HG ARG 25 1.369 -5.431 4.109 203 HD2 ARG 25 2HD ARG 25 0.009 -6.572 5.756 204 HD3 ARG 25 1HD ARG 25 -1.199 -6.963 4.531 205 HE ARG 25 HE ARG 25 1.315 -7.991 3.758 206 HH11 ARG 25 1HH1 ARG 25 -1.283 -8.549 5.936 207 HH12 ARG 25 2HH1 ARG 25 -0.944 -10.237 6.094 208 HH21 ARG 25 1HH2 ARG 25 1.755 -10.174 3.945 209 HH22 ARG 25 2HH2 ARG 25 0.778 -11.141 4.995 210 H ARG 26 H ARG 26 1.559 -2.551 4.573 211 HA ARG 26 HA ARG 26 3.441 -2.875 6.681 212 HB2 ARG 26 2HB ARG 26 3.559 -5.179 6.075 213 HB3 ARG 26 1HB ARG 26 3.593 -4.805 4.358 214 HG2 ARG 26 2HG ARG 26 5.828 -3.923 4.540 215 HG3 ARG 26 1HG ARG 26 5.797 -4.114 6.290 216 HD2 ARG 26 2HD ARG 26 5.738 -6.513 6.088 217 HD3 ARG 26 1HD ARG 26 5.535 -6.403 4.339 218 HE ARG 26 HE ARG 26 7.792 -6.020 4.119 219 HH11 ARG 26 1HH1 ARG 26 6.950 -5.878 7.463 220 HH12 ARG 26 2HH1 ARG 26 8.599 -5.761 7.970 221 HH21 ARG 26 1HH2 ARG 26 9.892 -5.894 4.802 222 HH22 ARG 26 2HH2 ARG 26 10.234 -5.787 6.495 223 H GLU 27 H GLU 27 5.220 -1.581 6.409 224 HA GLU 27 HA GLU 27 5.549 -0.219 3.812 225 HB2 GLU 27 2HB GLU 27 6.617 0.555 6.541 226 HB3 GLU 27 1HB GLU 27 6.817 1.483 5.063 227 HG2 GLU 27 2HG GLU 27 4.376 1.801 4.954 228 HG3 GLU 27 1HG GLU 27 4.211 0.910 6.468 229 H VAL 28 H VAL 28 7.045 -1.253 2.562 230 HA VAL 28 HA VAL 28 9.268 -2.667 3.809 231 HB VAL 28 HB VAL 28 9.878 -3.346 1.483 232 HG11 VAL 28 1HG1 VAL 28 7.953 -4.849 1.164 233 HG12 VAL 28 2HG1 VAL 28 7.018 -3.881 2.307 234 HG13 VAL 28 3HG1 VAL 28 8.445 -4.760 2.858 235 HG21 VAL 28 3HG2 VAL 28 7.341 -1.888 0.710 236 HG22 VAL 28 1HG2 VAL 28 8.309 -2.917 -0.349 237 HG23 VAL 28 2HG2 VAL 28 8.983 -1.410 0.272 238 H ARG 29 H ARG 29 11.036 -1.581 4.390 239 HA ARG 29 HA ARG 29 11.661 0.947 3.035 240 HB2 ARG 29 2HB ARG 29 12.576 -0.108 5.717 241 HB3 ARG 29 1HB ARG 29 13.042 1.445 5.038 242 HG2 ARG 29 2HG ARG 29 10.650 2.109 5.032 243 HG3 ARG 29 1HG ARG 29 10.267 0.586 5.840 244 HD2 ARG 29 2HD ARG 29 12.093 2.749 6.901 245 HD3 ARG 29 1HD ARG 29 10.445 2.437 7.438 246 HE ARG 29 HE ARG 29 11.619 0.070 7.871 247 HH11 ARG 29 1HH1 ARG 29 12.553 3.278 8.707 248 HH12 ARG 29 2HH1 ARG 29 13.445 2.764 10.096 249 HH21 ARG 29 1HH2 ARG 29 12.731 -0.562 9.686 250 HH22 ARG 29 2HH2 ARG 29 13.513 0.635 10.662 251 H ILE 30 H ILE 30 14.122 1.512 3.297 252 HA ILE 30 HA ILE 30 15.602 -0.431 1.727 253 HB ILE 30 HB ILE 30 16.434 2.299 2.752 254 HG12 ILE 30 2HG1 ILE 30 15.414 1.465 0.016 255 HG13 ILE 30 1HG1 ILE 30 14.511 2.392 1.209 256 HG21 ILE 30 1HG2 ILE 30 18.369 0.912 2.284 257 HG22 ILE 30 2HG2 ILE 30 18.216 2.159 1.047 258 HG23 ILE 30 3HG2 ILE 30 17.726 0.503 0.693 259 HD11 ILE 30 3HD1 ILE 30 17.023 3.278 -0.188 260 HD12 ILE 30 1HD1 ILE 30 16.141 4.204 1.025 261 HD13 ILE 30 2HD1 ILE 30 15.383 3.833 -0.523 262 H GLN 31 H GLN 31 16.985 -1.892 2.580 263 HA GLN 31 HA GLN 31 17.677 -1.662 5.426 264 HB2 GLN 31 2HB GLN 31 16.596 -3.738 4.683 265 HB3 GLN 31 1HB GLN 31 17.906 -4.020 3.543 266 HG2 GLN 31 2HG GLN 31 19.486 -4.177 5.425 267 HG3 GLN 31 1HG GLN 31 18.147 -3.943 6.547 268 HE21 GLN 31 1HE2 GLN 31 18.450 -5.914 7.528 269 HE22 GLN 31 2HE2 GLN 31 18.074 -7.411 6.755 270 H ASN 32 H ASN 32 19.706 -1.353 6.135 271 HA ASN 32 HA ASN 32 21.821 -0.632 4.375 272 HB2 ASN 32 2HB ASN 32 21.927 -1.305 7.331 273 HB3 ASN 32 1HB ASN 32 23.169 -0.446 6.422 274 HD21 ASN 32 1HD2 ASN 32 21.523 0.349 8.744 275 HD22 ASN 32 2HD2 ASN 32 20.773 1.830 8.268 276 H GLU 33 H GLU 33 23.694 -1.748 3.822 277 HA GLU 33 HA GLU 33 23.522 -4.529 3.468 278 HB2 GLU 33 2HB GLU 33 26.015 -2.806 3.415 279 HB3 GLU 33 1HB GLU 33 25.836 -4.394 2.675 280 HG2 GLU 33 2HG GLU 33 24.137 -3.508 1.156 281 HG3 GLU 33 1HG GLU 33 24.283 -1.922 1.909 282 H ASP 34 H ASP 34 24.570 -2.707 6.184 283 HA ASP 34 HA ASP 34 26.147 -4.688 7.488 284 HB2 ASP 34 2HB ASP 34 24.504 -2.505 8.797 285 HB3 ASP 34 1HB ASP 34 25.924 -3.311 9.458 286 H GLY 35 H GLY 35 22.679 -3.937 7.485 287 HA2 GLY 35 2HA GLY 35 21.431 -6.204 7.886 288 HA3 GLY 35 1HA GLY 35 22.157 -6.042 9.477 289 H SER 36 H SER 36 21.860 -3.357 9.988 290 HA SER 36 HA SER 36 19.186 -3.115 10.825 291 HB2 SER 36 2HB SER 36 19.773 -0.764 11.376 292 HB3 SER 36 1HB SER 36 20.984 -1.909 11.949 293 HG SER 36 HG SER 36 22.206 -0.444 10.967 294 H VAL 37 H VAL 37 17.642 -1.362 10.235 295 HA VAL 37 HA VAL 37 17.541 -1.082 7.296 296 HB VAL 37 HB VAL 37 15.224 -0.949 9.239 297 HG11 VAL 37 1HG1 VAL 37 13.823 -1.165 7.239 298 HG12 VAL 37 2HG1 VAL 37 15.263 -1.149 6.222 299 HG13 VAL 37 3HG1 VAL 37 14.832 0.279 7.161 300 HG21 VAL 37 3HG2 VAL 37 14.630 -3.195 8.425 301 HG22 VAL 37 1HG2 VAL 37 16.190 -3.183 9.251 302 HG23 VAL 37 2HG2 VAL 37 16.124 -3.244 7.490 303 H SER 38 H SER 38 17.327 0.888 6.350 304 HA SER 38 HA SER 38 17.745 3.268 7.929 305 HB2 SER 38 2HB SER 38 18.902 3.068 5.795 306 HB3 SER 38 1HB SER 38 17.371 2.895 4.940 307 HG SER 38 HG SER 38 18.427 5.064 4.998 308 H ASP 39 H ASP 39 16.448 5.282 7.380 309 HA ASP 39 HA ASP 39 13.687 4.783 7.993 310 HB2 ASP 39 2HB ASP 39 15.220 7.345 7.513 311 HB3 ASP 39 1HB ASP 39 13.517 7.296 7.957 312 H GLU 40 H GLU 40 15.466 5.538 5.086 313 HA GLU 40 HA GLU 40 13.298 6.518 3.541 314 HB2 GLU 40 2HB GLU 40 15.887 5.193 2.729 315 HB3 GLU 40 1HB GLU 40 14.732 5.843 1.571 316 HG2 GLU 40 2HG GLU 40 16.080 7.436 3.740 317 HG3 GLU 40 1HG GLU 40 16.602 7.372 2.060 318 H ILE 41 H ILE 41 11.954 5.507 2.054 319 HA ILE 41 HA ILE 41 11.513 2.639 2.642 320 HB ILE 41 HB ILE 41 9.374 4.650 1.910 321 HG12 ILE 41 2HG1 ILE 41 10.136 3.649 4.671 322 HG13 ILE 41 1HG1 ILE 41 10.445 5.270 4.060 323 HG21 ILE 41 1HG2 ILE 41 7.829 2.948 2.777 324 HG22 ILE 41 2HG2 ILE 41 9.192 1.872 3.093 325 HG23 ILE 41 3HG2 ILE 41 8.792 2.327 1.435 326 HD11 ILE 41 3HD1 ILE 41 8.021 5.631 3.867 327 HD12 ILE 41 1HD1 ILE 41 8.528 5.270 5.516 328 HD13 ILE 41 2HD1 ILE 41 7.747 4.025 4.544 329 H LYS 42 H LYS 42 10.992 1.230 0.958 330 HA LYS 42 HA LYS 42 11.497 2.090 -1.755 331 HB2 LYS 42 2HB LYS 42 10.634 -0.553 -0.560 332 HB3 LYS 42 1HB LYS 42 10.805 -0.312 -2.293 333 HG2 LYS 42 2HG LYS 42 13.017 -0.008 -0.258 334 HG3 LYS 42 1HG LYS 42 12.764 -1.405 -1.307 335 HD2 LYS 42 2HD LYS 42 12.882 0.361 -3.233 336 HD3 LYS 42 1HD LYS 42 13.674 1.366 -2.020 337 HE2 LYS 42 2HE LYS 42 14.565 -1.391 -2.884 338 HE3 LYS 42 1HE LYS 42 15.287 0.128 -3.407 339 HZ1 LYS 42 3HZ LYS 42 15.934 0.569 -1.124 340 HZ2 LYS 42 1HZ LYS 42 16.562 -0.907 -1.649 341 HZ3 LYS 42 2HZ LYS 42 15.228 -0.883 -0.610 342 H GLU 43 H GLU 43 8.674 0.580 -0.159 343 HA GLU 43 HA GLU 43 6.867 2.466 -1.328 344 HB2 GLU 43 2HB GLU 43 5.503 0.811 -2.592 345 HB3 GLU 43 1HB GLU 43 7.089 1.099 -3.290 346 HG2 GLU 43 2HG GLU 43 7.881 -0.995 -2.206 347 HG3 GLU 43 1HG GLU 43 6.224 -1.297 -1.682 348 H ARG 44 H ARG 44 4.501 1.798 -0.829 349 HA ARG 44 HA ARG 44 4.467 0.658 1.901 350 HB2 ARG 44 2HB ARG 44 4.502 3.080 2.043 351 HB3 ARG 44 1HB ARG 44 3.159 3.204 0.918 352 HG2 ARG 44 2HG ARG 44 1.661 2.204 2.533 353 HG3 ARG 44 1HG ARG 44 3.003 1.934 3.648 354 HD2 ARG 44 2HD ARG 44 2.104 4.650 2.665 355 HD3 ARG 44 1HD ARG 44 1.621 3.934 4.202 356 HE ARG 44 HE ARG 44 4.058 3.931 4.758 357 HH11 ARG 44 1HH1 ARG 44 2.823 6.196 2.467 358 HH12 ARG 44 2HH1 ARG 44 4.063 7.354 2.802 359 HH21 ARG 44 1HH2 ARG 44 5.605 5.410 5.180 360 HH22 ARG 44 2HH2 ARG 44 5.617 6.923 4.327 361 H THR 45 H THR 45 3.003 -0.893 2.191 362 HA THR 45 HA THR 45 0.911 -1.298 0.156 363 HB THR 45 HB THR 45 1.842 -3.296 2.237 364 HG1 THR 45 HG1 THR 45 3.009 -2.492 -0.141 365 HG21 THR 45 3HG2 THR 45 0.833 -4.944 0.719 366 HG22 THR 45 1HG2 THR 45 0.331 -3.644 -0.367 367 HG23 THR 45 2HG2 THR 45 -0.364 -3.763 1.250 368 H TYR 46 H TYR 46 -1.193 -1.052 0.641 369 HA TYR 46 HA TYR 46 -2.026 -0.787 3.461 370 HB2 TYR 46 2HB TYR 46 -3.418 0.221 0.967 371 HB3 TYR 46 1HB TYR 46 -3.944 0.487 2.622 372 HD1 TYR 46 HD2 TYR 46 -1.236 1.264 0.198 373 HD2 TYR 46 HD1 TYR 46 -3.132 2.330 3.864 374 HE1 TYR 46 HE2 TYR 46 0.025 3.371 0.234 375 HE2 TYR 46 HE1 TYR 46 -1.878 4.445 3.898 376 HH TYR 46 HH TYR 46 -0.116 5.581 1.184 377 H ASP 47 H ASP 47 -4.137 -1.642 4.041 378 HA ASP 47 HA ASP 47 -4.931 -4.041 2.542 379 HB2 ASP 47 2HB ASP 47 -5.726 -3.064 5.303 380 HB3 ASP 47 1HB ASP 47 -6.271 -4.569 4.572 381 H LEU 48 H LEU 48 -6.673 -3.968 1.222 382 HA LEU 48 HA LEU 48 -8.761 -1.937 1.746 383 HB2 LEU 48 2HB LEU 48 -7.854 -2.934 -0.962 384 HB3 LEU 48 1HB LEU 48 -9.142 -1.780 -0.674 385 HG LEU 48 HG LEU 48 -6.188 -1.349 -0.173 386 HD11 LEU 48 1HD1 LEU 48 -8.102 -0.088 -2.136 387 HD12 LEU 48 2HD1 LEU 48 -6.826 -1.244 -2.517 388 HD13 LEU 48 3HD1 LEU 48 -6.410 0.359 -1.912 389 HD21 LEU 48 3HD2 LEU 48 -6.773 0.927 0.472 390 HD22 LEU 48 1HD2 LEU 48 -7.520 -0.240 1.563 391 HD23 LEU 48 2HD2 LEU 48 -8.488 0.547 0.315 392 H LYS 49 H LYS 49 -10.780 -2.678 1.966 393 HA LYS 49 HA LYS 49 -11.373 -5.494 1.679 394 HB2 LYS 49 2HB LYS 49 -13.175 -3.174 2.436 395 HB3 LYS 49 1HB LYS 49 -13.585 -4.878 2.578 396 HG2 LYS 49 2HG LYS 49 -11.324 -3.533 4.049 397 HG3 LYS 49 1HG LYS 49 -12.926 -3.832 4.721 398 HD2 LYS 49 2HD LYS 49 -11.319 -6.105 3.588 399 HD3 LYS 49 1HD LYS 49 -10.976 -5.506 5.210 400 HE2 LYS 49 2HE LYS 49 -12.515 -7.429 5.228 401 HE3 LYS 49 1HE LYS 49 -13.254 -5.980 5.908 402 HZ1 LYS 49 3HZ LYS 49 -14.506 -5.663 3.925 403 HZ2 LYS 49 1HZ LYS 49 -14.710 -7.274 4.401 404 HZ3 LYS 49 2HZ LYS 49 -13.679 -6.898 3.117 405 H SER 50 H SER 50 -12.382 -6.455 -0.019 406 HA SER 50 HA SER 50 -13.276 -4.704 -2.231 407 HB2 SER 50 2HB SER 50 -12.129 -7.508 -2.372 408 HB3 SER 50 1HB SER 50 -12.641 -6.539 -3.753 409 HG SER 50 HG SER 50 -10.945 -5.107 -2.256 410 H LYS 51 H LYS 51 -15.284 -4.926 -3.047 411 HA LYS 51 HA LYS 51 -17.110 -6.888 -1.937 412 HB2 LYS 51 2HB LYS 51 -17.453 -4.709 -4.005 413 HB3 LYS 51 1HB LYS 51 -18.753 -5.790 -3.529 414 HG2 LYS 51 2HG LYS 51 -17.275 -3.975 -1.629 415 HG3 LYS 51 1HG LYS 51 -18.798 -3.565 -2.417 416 HD2 LYS 51 2HD LYS 51 -19.762 -5.664 -1.370 417 HD3 LYS 51 1HD LYS 51 -18.280 -5.766 -0.416 418 HE2 LYS 51 2HE LYS 51 -20.092 -4.661 0.825 419 HE3 LYS 51 1HE LYS 51 -18.728 -3.575 0.553 420 HZ1 LYS 51 3HZ LYS 51 -20.928 -2.551 0.146 421 HZ2 LYS 51 1HZ LYS 51 -21.168 -3.627 -1.135 422 HZ3 LYS 51 2HZ LYS 51 -19.910 -2.497 -1.196 423 H GLY 52 H GLY 52 -16.371 -8.904 -2.664 424 HA2 GLY 52 2HA GLY 52 -17.133 -9.600 -5.373 425 HA3 GLY 52 1HA GLY 52 -15.406 -9.691 -5.078 426 H GLN 53 H GLN 53 -14.853 -11.766 -4.903 427 HA GLN 53 HA GLN 53 -16.742 -13.798 -4.177 428 HB2 GLN 53 2HB GLN 53 -13.764 -14.069 -4.641 429 HB3 GLN 53 1HB GLN 53 -14.929 -15.380 -4.611 430 HG2 GLN 53 2HG GLN 53 -14.532 -15.047 -6.872 431 HG3 GLN 53 1HG GLN 53 -16.040 -14.178 -6.593 432 HE21 GLN 53 1HE2 GLN 53 -16.060 -11.950 -6.774 433 HE22 GLN 53 2HE2 GLN 53 -14.740 -11.055 -7.440 434 H GLY 54 H GLY 54 -16.032 -11.918 -1.960 435 HA2 GLY 54 2HA GLY 54 -15.843 -12.146 0.334 436 HA3 GLY 54 1HA GLY 54 -15.643 -13.875 0.104 437 H ARG 55 H ARG 55 -13.498 -11.812 -1.637 438 HA ARG 55 HA ARG 55 -11.333 -12.347 0.309 439 HB2 ARG 55 2HB ARG 55 -9.763 -12.319 -1.583 440 HB3 ARG 55 1HB ARG 55 -10.996 -13.555 -1.807 441 HG2 ARG 55 2HG ARG 55 -12.059 -12.365 -3.509 442 HG3 ARG 55 1HG ARG 55 -11.314 -10.837 -3.037 443 HD2 ARG 55 2HD ARG 55 -10.322 -11.670 -5.098 444 HD3 ARG 55 1HD ARG 55 -9.137 -11.659 -3.795 445 HE ARG 55 HE ARG 55 -10.286 -14.204 -3.904 446 HH11 ARG 55 1HH1 ARG 55 -8.245 -12.173 -5.808 447 HH12 ARG 55 2HH1 ARG 55 -7.460 -13.507 -6.575 448 HH21 ARG 55 1HH2 ARG 55 -9.271 -15.896 -4.901 449 HH22 ARG 55 2HH2 ARG 55 -8.031 -15.584 -6.070 450 H MET 56 H MET 56 -9.705 -10.703 0.558 451 HA MET 56 HA MET 56 -10.564 -8.006 -0.301 452 HB2 MET 56 2HB MET 56 -9.248 -7.112 1.541 453 HB3 MET 56 1HB MET 56 -10.383 -8.309 2.145 454 HG2 MET 56 2HG MET 56 -8.565 -9.958 2.246 455 HG3 MET 56 1HG MET 56 -7.434 -8.730 1.675 456 HE1 MET 56 3HE MET 56 -6.739 -10.286 4.267 457 HE2 MET 56 1HE MET 56 -6.294 -8.984 5.369 458 HE3 MET 56 2HE MET 56 -5.785 -8.923 3.680 459 H ILE 57 H ILE 57 -8.466 -6.483 -0.412 460 HA ILE 57 HA ILE 57 -6.376 -7.896 -1.939 461 HB ILE 57 HB ILE 57 -6.280 -6.081 -3.580 462 HG12 ILE 57 2HG1 ILE 57 -8.760 -4.999 -2.198 463 HG13 ILE 57 1HG1 ILE 57 -7.162 -4.260 -2.162 464 HG21 ILE 57 1HG2 ILE 57 -9.056 -7.255 -3.351 465 HG22 ILE 57 2HG2 ILE 57 -7.650 -8.060 -4.048 466 HG23 ILE 57 3HG2 ILE 57 -8.309 -6.619 -4.819 467 HD11 ILE 57 3HD1 ILE 57 -8.878 -4.642 -4.604 468 HD12 ILE 57 1HD1 ILE 57 -7.271 -3.916 -4.576 469 HD13 ILE 57 2HD1 ILE 57 -8.609 -3.131 -3.736 470 H GLN 58 H GLN 58 -4.299 -7.247 -1.578 471 HA GLN 58 HA GLN 58 -3.908 -4.965 0.257 472 HB2 GLN 58 2HB GLN 58 -2.196 -7.379 -0.361 473 HB3 GLN 58 1HB GLN 58 -1.609 -6.010 0.577 474 HG2 GLN 58 2HG GLN 58 -3.305 -6.379 2.260 475 HG3 GLN 58 1HG GLN 58 -4.020 -7.669 1.293 476 HE21 GLN 58 1HE2 GLN 58 -3.724 -9.079 3.071 477 HE22 GLN 58 2HE2 GLN 58 -2.176 -9.748 3.422 478 H VAL 59 H VAL 59 -3.523 -3.132 -0.814 479 HA VAL 59 HA VAL 59 -2.201 -3.255 -3.437 480 HB VAL 59 HB VAL 59 -3.881 -1.059 -2.212 481 HG11 VAL 59 1HG1 VAL 59 -2.204 -0.087 -3.679 482 HG12 VAL 59 2HG1 VAL 59 -3.789 -0.007 -4.444 483 HG13 VAL 59 3HG1 VAL 59 -2.625 -1.228 -4.958 484 HG21 VAL 59 3HG2 VAL 59 -5.188 -3.016 -2.828 485 HG22 VAL 59 1HG2 VAL 59 -4.459 -3.026 -4.437 486 HG23 VAL 59 2HG2 VAL 59 -5.512 -1.696 -3.954 487 H SER 60 H SER 60 -0.220 -2.458 -3.769 488 HA SER 60 HA SER 60 1.021 -0.875 -1.596 489 HB2 SER 60 2HB SER 60 1.935 -3.189 -1.950 490 HB3 SER 60 1HB SER 60 2.453 -2.685 -3.559 491 HG SER 60 HG SER 60 4.009 -1.493 -2.706 492 H ILE 61 H ILE 61 1.602 1.144 -2.081 493 HA ILE 61 HA ILE 61 1.984 1.887 -4.921 494 HB ILE 61 HB ILE 61 1.297 4.169 -4.325 495 HG12 ILE 61 2HG1 ILE 61 0.718 3.034 -1.569 496 HG13 ILE 61 1HG1 ILE 61 2.031 4.141 -1.958 497 HG21 ILE 61 1HG2 ILE 61 -1.087 3.734 -3.971 498 HG22 ILE 61 2HG2 ILE 61 -0.719 2.084 -3.466 499 HG23 ILE 61 3HG2 ILE 61 -0.392 2.594 -5.123 500 HD11 ILE 61 3HD1 ILE 61 0.376 5.841 -2.598 501 HD12 ILE 61 1HD1 ILE 61 0.206 5.321 -0.921 502 HD13 ILE 61 2HD1 ILE 61 -0.915 4.726 -2.144 503 HA PRO 62 HA PRO 62 6.189 3.114 -4.274 504 HB2 PRO 62 2HB PRO 62 6.194 5.660 -5.423 505 HB3 PRO 62 1HB PRO 62 6.399 4.139 -6.296 506 HG2 PRO 62 2HG PRO 62 3.940 5.800 -5.932 507 HG3 PRO 62 1HG PRO 62 4.496 4.921 -7.369 508 HD2 PRO 62 2HD PRO 62 2.530 3.957 -5.837 509 HD3 PRO 62 1HD PRO 62 3.739 2.871 -6.558 510 H ALA 63 H ALA 63 7.402 4.054 -2.684 511 HA ALA 63 HA ALA 63 6.063 5.319 -0.520 512 HB1 ALA 63 3HB ALA 63 7.964 3.846 -0.182 513 HB2 ALA 63 1HB ALA 63 8.266 5.429 0.530 514 HB3 ALA 63 2HB ALA 63 9.020 4.993 -1.004 515 H SER 64 H SER 64 7.469 6.629 -3.343 516 HA SER 64 HA SER 64 8.127 9.222 -2.314 517 HB2 SER 64 2HB SER 64 7.520 8.377 -5.166 518 HB3 SER 64 1HB SER 64 8.248 9.908 -4.683 519 HG SER 64 HG SER 64 9.917 8.579 -5.227 520 H VAL 65 H VAL 65 5.223 7.733 -2.513 521 HA VAL 65 HA VAL 65 3.681 10.164 -3.107 522 HB VAL 65 HB VAL 65 2.770 7.299 -2.715 523 HG11 VAL 65 1HG1 VAL 65 1.160 9.730 -3.504 524 HG12 VAL 65 2HG1 VAL 65 1.046 8.858 -1.973 525 HG13 VAL 65 3HG1 VAL 65 0.570 8.067 -3.476 526 HG21 VAL 65 3HG2 VAL 65 2.934 8.981 -5.222 527 HG22 VAL 65 1HG2 VAL 65 2.296 7.340 -5.118 528 HG23 VAL 65 2HG2 VAL 65 4.004 7.643 -4.803 529 HA PRO 66 HA PRO 66 3.320 11.013 1.282 530 HB2 PRO 66 2HB PRO 66 0.982 12.504 1.121 531 HB3 PRO 66 1HB PRO 66 2.612 13.133 0.859 532 HG2 PRO 66 2HG PRO 66 0.580 12.234 -1.151 533 HG3 PRO 66 1HG PRO 66 1.656 13.646 -1.202 534 HD2 PRO 66 2HD PRO 66 2.211 11.445 -2.618 535 HD3 PRO 66 1HD PRO 66 3.508 12.362 -1.815 536 H LEU 67 H LEU 67 1.971 10.523 3.088 537 HA LEU 67 HA LEU 67 0.559 8.065 2.817 538 HB2 LEU 67 2HB LEU 67 1.909 8.634 4.782 539 HB3 LEU 67 1HB LEU 67 0.793 9.925 5.186 540 HG LEU 67 HG LEU 67 -0.975 8.296 5.630 541 HD11 LEU 67 1HD1 LEU 67 -0.386 6.588 4.011 542 HD12 LEU 67 2HD1 LEU 67 -0.492 5.882 5.624 543 HD13 LEU 67 3HD1 LEU 67 1.086 6.211 4.907 544 HD21 LEU 67 3HD2 LEU 67 -0.016 7.257 7.630 545 HD22 LEU 67 1HD2 LEU 67 0.519 8.931 7.460 546 HD23 LEU 67 2HD2 LEU 67 1.610 7.610 7.040 547 H LYS 68 H LYS 68 -1.627 7.597 3.157 548 HA LYS 68 HA LYS 68 -3.425 9.757 2.357 549 HB2 LYS 68 2HB LYS 68 -3.352 6.838 2.010 550 HB3 LYS 68 1HB LYS 68 -4.955 7.478 2.338 551 HG2 LYS 68 2HG LYS 68 -4.505 7.304 -0.056 552 HG3 LYS 68 1HG LYS 68 -4.803 8.966 0.445 553 HD2 LYS 68 2HD LYS 68 -2.344 9.353 0.462 554 HD3 LYS 68 1HD LYS 68 -2.115 7.712 -0.151 555 HE2 LYS 68 2HE LYS 68 -3.430 8.272 -2.144 556 HE3 LYS 68 1HE LYS 68 -3.678 9.905 -1.531 557 HZ1 LYS 68 3HZ LYS 68 -1.063 8.700 -2.236 558 HZ2 LYS 68 1HZ LYS 68 -1.301 10.279 -1.670 559 HZ3 LYS 68 2HZ LYS 68 -1.919 9.809 -3.177 560 H GLU 69 H GLU 69 -3.787 6.993 4.620 561 HA GLU 69 HA GLU 69 -4.959 6.744 6.556 562 HB2 GLU 69 2HB GLU 69 -4.457 9.720 6.827 563 HB3 GLU 69 1HB GLU 69 -5.042 8.676 8.114 564 HG2 GLU 69 2HG GLU 69 -2.966 7.402 8.044 565 HG3 GLU 69 1HG GLU 69 -2.381 8.418 6.728 566 H PHE 70 H PHE 70 -6.611 6.803 4.407 567 HA PHE 70 HA PHE 70 -8.701 8.697 4.477 568 HB2 PHE 70 2HB PHE 70 -8.615 5.859 3.441 569 HB3 PHE 70 1HB PHE 70 -10.028 6.890 3.268 570 HD1 PHE 70 HD1 PHE 70 -8.953 9.466 2.532 571 HD2 PHE 70 HD2 PHE 70 -7.682 5.575 1.348 572 HE1 PHE 70 HE1 PHE 70 -8.063 10.395 0.436 573 HE2 PHE 70 HE2 PHE 70 -6.791 6.502 -0.747 574 HZ PHE 70 HZ PHE 70 -6.980 8.913 -1.207 575 H ASP 71 H ASP 71 -11.068 7.896 4.798 576 HA ASP 71 HA ASP 71 -11.466 7.280 7.551 577 HB2 ASP 71 2HB ASP 71 -13.418 7.457 5.250 578 HB3 ASP 71 1HB ASP 71 -13.883 7.307 6.943 579 H TYR 72 H TYR 72 -12.643 5.504 8.432 580 HA TYR 72 HA TYR 72 -11.726 2.980 7.519 581 HB2 TYR 72 2HB TYR 72 -12.179 3.652 9.909 582 HB3 TYR 72 1HB TYR 72 -13.896 3.510 9.563 583 HD1 TYR 72 HD1 TYR 72 -10.810 1.440 9.057 584 HD2 TYR 72 HD2 TYR 72 -14.880 1.548 10.316 585 HE1 TYR 72 HE1 TYR 72 -10.693 -0.949 9.628 586 HE2 TYR 72 HE2 TYR 72 -14.772 -0.840 10.887 587 HH TYR 72 HH TYR 72 -11.886 -2.544 11.162 588 H ASN 73 H ASN 73 -12.544 1.734 5.972 589 HA ASN 73 HA ASN 73 -13.902 0.806 4.423 590 HB2 ASN 73 2HB ASN 73 -15.908 1.339 6.601 591 HB3 ASN 73 1HB ASN 73 -16.409 0.648 5.060 592 HD21 ASN 73 1HD2 ASN 73 -14.672 0.107 7.995 593 HD22 ASN 73 2HD2 ASN 73 -14.441 -1.591 7.780 594 H ALA 74 H ALA 74 -13.300 3.638 4.182 595 HA ALA 74 HA ALA 74 -15.635 4.750 2.837 596 HB1 ALA 74 3HB ALA 74 -14.132 6.235 4.084 597 HB2 ALA 74 1HB ALA 74 -14.214 6.679 2.378 598 HB3 ALA 74 2HB ALA 74 -12.809 5.809 2.997 599 H ARG 75 H ARG 75 -15.901 4.955 0.617 600 HA ARG 75 HA ARG 75 -14.733 3.010 -1.049 601 HB2 ARG 75 2HB ARG 75 -16.601 5.271 -1.448 602 HB3 ARG 75 1HB ARG 75 -15.721 4.762 -2.879 603 HG2 ARG 75 2HG ARG 75 -17.760 3.579 -2.884 604 HG3 ARG 75 1HG ARG 75 -16.514 2.419 -2.422 605 HD2 ARG 75 2HD ARG 75 -18.301 2.000 -0.961 606 HD3 ARG 75 1HD ARG 75 -17.160 2.945 -0.007 607 HE ARG 75 HE ARG 75 -18.629 4.897 -0.546 608 HH11 ARG 75 1HH1 ARG 75 -19.893 1.699 -0.681 609 HH12 ARG 75 2HH1 ARG 75 -21.492 2.192 -0.250 610 HH21 ARG 75 1HH2 ARG 75 -20.700 5.533 -0.027 611 HH22 ARG 75 2HH2 ARG 75 -21.941 4.343 0.121 612 H VAL 76 H VAL 76 -12.765 2.916 -1.804 613 HA VAL 76 HA VAL 76 -11.440 5.372 -2.777 614 HB VAL 76 HB VAL 76 -9.271 4.429 -2.133 615 HG11 VAL 76 1HG1 VAL 76 -10.413 5.900 -0.555 616 HG12 VAL 76 2HG1 VAL 76 -9.472 4.675 0.298 617 HG13 VAL 76 3HG1 VAL 76 -11.224 4.512 0.172 618 HG21 VAL 76 3HG2 VAL 76 -10.858 2.185 -0.865 619 HG22 VAL 76 1HG2 VAL 76 -9.117 2.428 -0.725 620 HG23 VAL 76 2HG2 VAL 76 -9.832 2.043 -2.291 621 H GLU 77 H GLU 77 -10.223 5.183 -4.690 622 HA GLU 77 HA GLU 77 -10.440 2.617 -6.132 623 HB2 GLU 77 2HB GLU 77 -10.783 3.864 -8.227 624 HB3 GLU 77 1HB GLU 77 -12.072 4.165 -7.071 625 HG2 GLU 77 2HG GLU 77 -11.134 6.317 -6.511 626 HG3 GLU 77 1HG GLU 77 -9.736 6.013 -7.539 627 H LEU 78 H LEU 78 -8.862 2.428 -7.953 628 HA LEU 78 HA LEU 78 -6.252 3.518 -7.105 629 HB2 LEU 78 2HB LEU 78 -6.866 0.951 -8.584 630 HB3 LEU 78 1HB LEU 78 -5.267 1.498 -8.112 631 HG LEU 78 HG LEU 78 -7.503 0.734 -6.223 632 HD11 LEU 78 1HD1 LEU 78 -6.086 -1.176 -5.654 633 HD12 LEU 78 2HD1 LEU 78 -4.917 -0.685 -6.882 634 HD13 LEU 78 3HD1 LEU 78 -6.538 -1.195 -7.360 635 HD21 LEU 78 3HD2 LEU 78 -6.134 2.502 -5.279 636 HD22 LEU 78 1HD2 LEU 78 -4.666 1.599 -5.655 637 HD23 LEU 78 2HD2 LEU 78 -5.806 0.974 -4.462 638 H ILE 79 H ILE 79 -4.962 4.557 -8.535 639 HA ILE 79 HA ILE 79 -5.983 5.468 -11.026 640 HB ILE 79 HB ILE 79 -3.193 5.585 -9.856 641 HG12 ILE 79 2HG1 ILE 79 -3.722 8.036 -9.694 642 HG13 ILE 79 1HG1 ILE 79 -5.357 7.682 -10.230 643 HG21 ILE 79 1HG2 ILE 79 -2.994 5.566 -12.290 644 HG22 ILE 79 2HG2 ILE 79 -2.613 7.163 -11.650 645 HG23 ILE 79 3HG2 ILE 79 -4.176 6.871 -12.413 646 HD11 ILE 79 3HD1 ILE 79 -5.263 7.979 -7.837 647 HD12 ILE 79 1HD1 ILE 79 -4.062 6.697 -7.703 648 HD13 ILE 79 2HD1 ILE 79 -5.701 6.317 -8.232 649 H ASN 80 H ASN 80 -2.993 3.541 -10.552 650 HA ASN 80 HA ASN 80 -3.690 1.992 -12.973 651 HB2 ASN 80 2HB ASN 80 -0.929 2.845 -12.058 652 HB3 ASN 80 1HB ASN 80 -1.262 1.805 -13.440 653 HD21 ASN 80 1HD2 ASN 80 0.054 4.413 -13.289 654 HD22 ASN 80 2HD2 ASN 80 -0.818 5.435 -14.373 655 HA PRO 81 HA PRO 81 -3.149 -1.114 -9.602 656 HB2 PRO 81 2HB PRO 81 -5.347 -2.566 -10.091 657 HB3 PRO 81 1HB PRO 81 -5.432 -1.030 -9.223 658 HG2 PRO 81 2HG PRO 81 -6.077 -1.621 -12.088 659 HG3 PRO 81 1HG PRO 81 -6.939 -0.584 -10.936 660 HD2 PRO 81 2HD PRO 81 -5.160 0.338 -12.848 661 HD3 PRO 81 1HD PRO 81 -5.586 1.210 -11.365 662 H ILE 82 H ILE 82 -1.772 -2.779 -9.952 663 HA ILE 82 HA ILE 82 -2.297 -4.614 -12.185 664 HB ILE 82 HB ILE 82 0.169 -4.880 -12.555 665 HG12 ILE 82 2HG1 ILE 82 0.333 -2.336 -10.904 666 HG13 ILE 82 1HG1 ILE 82 0.982 -3.908 -10.451 667 HG21 ILE 82 1HG2 ILE 82 -1.199 -3.613 -14.117 668 HG22 ILE 82 2HG2 ILE 82 0.398 -2.881 -13.970 669 HG23 ILE 82 3HG2 ILE 82 -0.983 -2.151 -13.154 670 HD11 ILE 82 3HD1 ILE 82 2.742 -2.455 -11.231 671 HD12 ILE 82 1HD1 ILE 82 1.894 -2.204 -12.758 672 HD13 ILE 82 2HD1 ILE 82 2.525 -3.801 -12.350 673 H ALA 83 H ALA 83 -2.284 -6.704 -11.592 674 HA ALA 83 HA ALA 83 -1.712 -7.417 -8.852 675 HB1 ALA 83 3HB ALA 83 -3.639 -8.358 -10.041 676 HB2 ALA 83 1HB ALA 83 -2.553 -9.620 -9.462 677 HB3 ALA 83 2HB ALA 83 -2.548 -9.168 -11.166 678 H ASP 84 H ASP 84 0.125 -8.274 -8.064 679 HA ASP 84 HA ASP 84 2.094 -9.373 -9.976 680 HB2 ASP 84 2HB ASP 84 2.525 -7.408 -7.736 681 HB3 ASP 84 1HB ASP 84 3.839 -8.436 -8.297 682 H THR 85 H THR 85 2.829 -11.374 -9.512 683 HA THR 85 HA THR 85 2.237 -12.661 -7.004 684 HB THR 85 HB THR 85 4.110 -13.600 -9.204 685 HG1 THR 85 HG1 THR 85 2.304 -14.775 -9.928 686 HG21 THR 85 3HG2 THR 85 2.794 -15.093 -6.919 687 HG22 THR 85 1HG2 THR 85 4.520 -14.778 -7.109 688 HG23 THR 85 2HG2 THR 85 3.690 -15.848 -8.238 689 H VAL 86 H VAL 86 3.203 -11.207 -5.539 690 HA VAL 86 HA VAL 86 6.160 -11.196 -5.455 691 HB VAL 86 HB VAL 86 5.153 -9.032 -6.235 692 HG11 VAL 86 1HG1 VAL 86 4.033 -8.864 -3.437 693 HG12 VAL 86 2HG1 VAL 86 3.097 -9.120 -4.911 694 HG13 VAL 86 3HG1 VAL 86 3.966 -7.604 -4.672 695 HG21 VAL 86 3HG2 VAL 86 7.361 -9.100 -5.109 696 HG22 VAL 86 1HG2 VAL 86 6.559 -8.778 -3.572 697 HG23 VAL 86 2HG2 VAL 86 6.507 -7.577 -4.862 698 H ALA 87 H ALA 87 6.935 -10.477 -3.166 699 HA ALA 87 HA ALA 87 6.922 -10.515 -0.886 700 HB1 ALA 87 3HB ALA 87 4.566 -9.761 -0.924 701 HB2 ALA 87 1HB ALA 87 4.922 -10.848 0.419 702 HB3 ALA 87 2HB ALA 87 4.052 -11.447 -0.994 703 H THR 88 H THR 88 4.972 -13.281 -2.056 704 HA THR 88 HA THR 88 6.043 -15.170 -0.266 705 HB THR 88 HB THR 88 3.978 -15.609 -1.508 706 HG1 THR 88 HG1 THR 88 6.130 -17.439 -1.856 707 HG21 THR 88 3HG2 THR 88 4.065 -16.283 -3.884 708 HG22 THR 88 1HG2 THR 88 5.777 -15.860 -3.932 709 HG23 THR 88 2HG2 THR 88 4.565 -14.606 -3.663 710 H ALA 89 H ALA 89 7.537 -13.673 -2.922 711 HA ALA 89 HA ALA 89 9.505 -15.830 -3.272 712 HB1 ALA 89 3HB ALA 89 9.077 -13.312 -4.875 713 HB2 ALA 89 1HB ALA 89 8.495 -14.921 -5.304 714 HB3 ALA 89 2HB ALA 89 10.229 -14.594 -5.254 715 H THR 90 H THR 90 9.143 -13.232 -1.296 716 HA THR 90 HA THR 90 12.051 -12.678 -1.195 717 HB THR 90 HB THR 90 9.808 -10.817 -0.346 718 HG1 THR 90 HG1 THR 90 11.133 -9.624 -2.185 719 HG21 THR 90 3HG2 THR 90 11.582 -9.143 -0.039 720 HG22 THR 90 1HG2 THR 90 12.799 -10.360 -0.427 721 HG23 THR 90 2HG2 THR 90 11.821 -10.525 1.030 722 H TYR 91 H TYR 91 9.110 -13.204 0.675 723 HA TYR 91 HA TYR 91 10.619 -13.412 3.182 724 HB2 TYR 91 2HB TYR 91 7.634 -13.699 2.738 725 HB3 TYR 91 1HB TYR 91 8.456 -13.519 4.284 726 HD1 TYR 91 HD2 TYR 91 9.619 -11.308 4.788 727 HD2 TYR 91 HD1 TYR 91 6.976 -11.815 1.492 728 HE1 TYR 91 HE2 TYR 91 9.342 -8.867 4.639 729 HE2 TYR 91 HE1 TYR 91 6.693 -9.383 1.333 730 HH TYR 91 HH TYR 91 6.917 -7.413 2.672 731 H GLN 92 H GLN 92 9.559 -15.331 4.642 732 HA GLN 92 HA GLN 92 10.405 -17.779 3.497 733 HB2 GLN 92 2HB GLN 92 10.428 -17.299 5.930 734 HB3 GLN 92 1HB GLN 92 8.670 -17.349 5.948 735 HG2 GLN 92 2HG GLN 92 8.748 -19.706 5.247 736 HG3 GLN 92 1HG GLN 92 10.509 -19.642 5.269 737 HE21 GLN 92 1HE2 GLN 92 8.706 -21.340 6.783 738 HE22 GLN 92 2HE2 GLN 92 9.038 -21.044 8.450 739 H GLY 93 H GLY 93 7.457 -16.099 3.234 740 HA2 GLY 93 2HA GLY 93 5.828 -16.704 1.598 741 HA3 GLY 93 1HA GLY 93 6.230 -18.393 1.859 742 H ALA 94 H ALA 94 5.184 -15.698 3.966 743 HA ALA 94 HA ALA 94 3.139 -17.494 5.120 744 HB1 ALA 94 3HB ALA 94 3.226 -16.119 7.120 745 HB2 ALA 94 1HB ALA 94 4.362 -15.015 6.342 746 HB3 ALA 94 2HB ALA 94 4.846 -16.673 6.698 747 H ASP 95 H ASP 95 3.374 -15.156 2.873 748 HA ASP 95 HA ASP 95 1.084 -13.555 3.587 749 HB2 ASP 95 2HB ASP 95 2.604 -13.716 0.976 750 HB3 ASP 95 1HB ASP 95 1.458 -12.456 1.437 751 H VAL 96 H VAL 96 -0.867 -14.482 3.533 752 HA VAL 96 HA VAL 96 -1.502 -16.595 1.634 753 HB VAL 96 HB VAL 96 -3.225 -15.369 3.807 754 HG11 VAL 96 1HG1 VAL 96 -4.580 -16.451 2.105 755 HG12 VAL 96 2HG1 VAL 96 -4.582 -17.421 3.577 756 HG13 VAL 96 3HG1 VAL 96 -3.588 -17.907 2.203 757 HG21 VAL 96 3HG2 VAL 96 -1.554 -17.894 3.844 758 HG22 VAL 96 1HG2 VAL 96 -2.657 -17.374 5.119 759 HG23 VAL 96 2HG2 VAL 96 -1.227 -16.412 4.745 760 H ASP 97 H ASP 97 -2.340 -13.245 2.236 761 HA ASP 97 HA ASP 97 -4.451 -13.188 0.249 762 HB2 ASP 97 2HB ASP 97 -3.216 -10.830 1.687 763 HB3 ASP 97 1HB ASP 97 -4.796 -10.911 0.913 764 H TRP 98 H TRP 98 -4.385 -12.026 -1.700 765 HA TRP 98 HA TRP 98 -1.785 -11.995 -2.944 766 HB2 TRP 98 2HB TRP 98 -2.945 -11.723 -5.041 767 HB3 TRP 98 1HB TRP 98 -3.740 -12.970 -4.095 768 HD1 TRP 98 HD1 TRP 98 -5.799 -11.342 -2.399 769 HE1 TRP 98 HE1 TRP 98 -7.734 -10.091 -3.524 770 HE3 TRP 98 HE3 TRP 98 -3.847 -10.899 -7.109 771 HZ2 TRP 98 HZ2 TRP 98 -8.365 -9.063 -6.078 772 HZ3 TRP 98 HZ3 TRP 98 -5.188 -9.763 -8.834 773 HH2 TRP 98 HH2 TRP 98 -7.402 -8.870 -8.330 774 H TYR 99 H TYR 99 -0.709 -10.301 -3.856 775 HA TYR 99 HA TYR 99 -1.380 -7.648 -2.798 776 HB2 TYR 99 2HB TYR 99 1.184 -8.869 -3.815 777 HB3 TYR 99 1HB TYR 99 1.025 -7.137 -3.558 778 HD1 TYR 99 HD1 TYR 99 0.753 -10.419 -1.786 779 HD2 TYR 99 HD2 TYR 99 1.409 -6.223 -1.445 780 HE1 TYR 99 HE1 TYR 99 1.396 -10.711 0.571 781 HE2 TYR 99 HE2 TYR 99 2.047 -6.509 0.909 782 HH TYR 99 HH TYR 99 2.718 -9.553 2.275 783 H ILE 100 H ILE 100 -1.764 -5.910 -4.041 784 HA ILE 100 HA ILE 100 -1.431 -6.108 -6.973 785 HB ILE 100 HB ILE 100 -3.599 -4.550 -5.526 786 HG12 ILE 100 2HG1 ILE 100 -3.829 -7.136 -7.096 787 HG13 ILE 100 1HG1 ILE 100 -3.995 -6.981 -5.349 788 HG21 ILE 100 1HG2 ILE 100 -2.910 -3.543 -7.649 789 HG22 ILE 100 2HG2 ILE 100 -4.543 -4.202 -7.760 790 HG23 ILE 100 3HG2 ILE 100 -3.189 -5.080 -8.474 791 HD11 ILE 100 3HD1 ILE 100 -5.973 -5.579 -5.670 792 HD12 ILE 100 1HD1 ILE 100 -6.157 -7.164 -6.421 793 HD13 ILE 100 2HD1 ILE 100 -5.806 -5.752 -7.418 794 H LYS 101 H LYS 101 0.178 -4.759 -7.571 795 HA LYS 101 HA LYS 101 0.868 -2.466 -5.921 796 HB2 LYS 101 2HB LYS 101 2.083 -3.443 -8.525 797 HB3 LYS 101 1HB LYS 101 2.742 -2.168 -7.502 798 HG2 LYS 101 2HG LYS 101 3.016 -3.805 -5.675 799 HG3 LYS 101 1HG LYS 101 2.415 -5.072 -6.745 800 HD2 LYS 101 2HD LYS 101 4.842 -5.126 -6.657 801 HD3 LYS 101 1HD LYS 101 4.305 -4.659 -8.271 802 HE2 LYS 101 2HE LYS 101 4.793 -2.339 -7.813 803 HE3 LYS 101 1HE LYS 101 5.171 -2.711 -6.131 804 HZ1 LYS 101 3HZ LYS 101 7.158 -2.431 -7.499 805 HZ2 LYS 101 1HZ LYS 101 6.684 -3.724 -8.477 806 HZ3 LYS 101 2HZ LYS 101 7.069 -3.986 -6.849 807 H ALA 102 H ALA 102 0.592 -0.305 -6.473 808 HA ALA 102 HA ALA 102 -0.849 0.278 -8.963 809 HB1 ALA 102 3HB ALA 102 -2.598 1.502 -7.799 810 HB2 ALA 102 1HB ALA 102 -1.883 1.075 -6.242 811 HB3 ALA 102 2HB ALA 102 -2.561 -0.182 -7.278 812 H ASP 103 H ASP 103 -0.983 2.526 -9.492 813 HA ASP 103 HA ASP 103 1.341 4.035 -9.042 814 HB2 ASP 103 2HB ASP 103 -0.186 4.260 -11.009 815 HB3 ASP 103 1HB ASP 103 -1.367 5.039 -9.961 816 H ASP 104 H ASP 104 -1.978 4.629 -7.843 817 HA ASP 104 HA ASP 104 -1.061 5.391 -5.241 818 HB2 ASP 104 2HB ASP 104 -0.620 7.464 -6.622 819 HB3 ASP 104 1HB ASP 104 -2.353 7.578 -6.899 820 H ILE 105 H ILE 105 -2.898 6.074 -3.829 821 HA ILE 105 HA ILE 105 -5.429 4.767 -4.647 822 HB ILE 105 HB ILE 105 -4.344 5.095 -1.837 823 HG12 ILE 105 2HG1 ILE 105 -4.391 2.599 -3.561 824 HG13 ILE 105 1HG1 ILE 105 -2.954 3.561 -3.224 825 HG21 ILE 105 1HG2 ILE 105 -6.678 3.483 -2.886 826 HG22 ILE 105 2HG2 ILE 105 -6.779 4.962 -1.928 827 HG23 ILE 105 3HG2 ILE 105 -6.104 3.495 -1.217 828 HD11 ILE 105 3HD1 ILE 105 -3.046 1.576 -1.836 829 HD12 ILE 105 1HD1 ILE 105 -4.602 2.086 -1.181 830 HD13 ILE 105 2HD1 ILE 105 -3.152 3.040 -0.857 831 H VAL 106 H VAL 106 -7.061 6.203 -4.947 832 HA VAL 106 HA VAL 106 -7.184 8.583 -3.189 833 HB VAL 106 HB VAL 106 -8.197 9.866 -5.021 834 HG11 VAL 106 1HG1 VAL 106 -5.779 10.013 -4.683 835 HG12 VAL 106 2HG1 VAL 106 -6.187 10.174 -6.391 836 HG13 VAL 106 3HG1 VAL 106 -5.533 8.654 -5.780 837 HG21 VAL 106 3HG2 VAL 106 -9.200 8.011 -6.264 838 HG22 VAL 106 1HG2 VAL 106 -7.599 7.451 -6.742 839 HG23 VAL 106 2HG2 VAL 106 -8.198 9.009 -7.317 840 H LEU 107 H LEU 107 -9.526 9.587 -3.339 841 HA LEU 107 HA LEU 107 -11.359 7.540 -2.469 842 HB2 LEU 107 2HB LEU 107 -11.684 10.524 -2.824 843 HB3 LEU 107 1HB LEU 107 -12.944 9.479 -2.191 844 HG LEU 107 HG LEU 107 -10.227 9.874 -0.916 845 HD11 LEU 107 1HD1 LEU 107 -12.916 11.000 -0.133 846 HD12 LEU 107 2HD1 LEU 107 -11.562 11.911 -0.802 847 HD13 LEU 107 3HD1 LEU 107 -11.419 11.161 0.787 848 HD21 LEU 107 3HD2 LEU 107 -11.190 7.681 -0.445 849 HD22 LEU 107 1HD2 LEU 107 -12.695 8.437 0.077 850 HD23 LEU 107 2HD2 LEU 107 -11.211 8.697 0.995 851 H THR 108 H THR 108 -13.147 6.734 -3.488 852 HA THR 108 HA THR 108 -13.208 6.673 -6.299 853 HB THR 108 HB THR 108 -15.461 5.937 -4.407 854 HG1 THR 108 HG1 THR 108 -13.309 4.398 -5.483 855 HG21 THR 108 3HG2 THR 108 -16.203 6.151 -6.747 856 HG22 THR 108 1HG2 THR 108 -16.229 4.471 -6.209 857 HG23 THR 108 2HG2 THR 108 -14.925 5.043 -7.248 858 H LEU 109 H LEU 109 -14.375 7.750 -7.832 859 HA LEU 109 HA LEU 109 -15.406 10.331 -7.175 860 HB2 LEU 109 2HB LEU 109 -15.571 8.795 -9.773 861 HB3 LEU 109 1HB LEU 109 -15.921 10.502 -9.578 862 HG LEU 109 HG LEU 109 -13.218 9.208 -9.145 863 HD11 LEU 109 1HD1 LEU 109 -14.223 10.973 -11.377 864 HD12 LEU 109 2HD1 LEU 109 -13.839 9.257 -11.494 865 HD13 LEU 109 3HD1 LEU 109 -12.560 10.423 -11.165 866 HD21 LEU 109 3HD2 LEU 109 -14.051 12.111 -9.045 867 HD22 LEU 109 1HD2 LEU 109 -12.391 11.518 -8.977 868 HD23 LEU 109 2HD2 LEU 109 -13.520 11.126 -7.681 869 H GLU 110 H GLU 110 -17.089 9.675 -5.650 870 HA GLU 110 HA GLU 110 -19.607 8.926 -7.020 871 HB2 GLU 110 2HB GLU 110 -18.974 8.747 -4.062 872 HB3 GLU 110 1HB GLU 110 -20.482 8.268 -4.825 873 HG2 GLU 110 2HG GLU 110 -19.292 6.511 -6.059 874 HG3 GLU 110 1HG GLU 110 -17.788 6.988 -5.270 Start of MODEL 17 1 H1 MET 1 1H MET 1 6.658 -8.951 -10.811 2 H2 MET 1 2H MET 1 6.369 -7.298 -10.984 3 H3 MET 1 3H MET 1 7.954 -7.874 -10.890 4 HA MET 1 HA MET 1 6.043 -8.480 -13.064 5 HB2 MET 1 2HB MET 1 8.449 -6.637 -13.039 6 HB3 MET 1 1HB MET 1 7.497 -7.041 -14.462 7 HG2 MET 1 2HG MET 1 5.525 -6.003 -13.431 8 HG3 MET 1 1HG MET 1 6.495 -5.580 -12.021 9 HE1 MET 1 3HE MET 1 5.852 -4.954 -15.835 10 HE2 MET 1 1HE MET 1 7.539 -5.469 -15.846 11 HE3 MET 1 2HE MET 1 7.123 -3.801 -16.242 12 H MET 2 H MET 2 6.692 -10.021 -14.515 13 HA MET 2 HA MET 2 9.436 -11.011 -14.478 14 HB2 MET 2 2HB MET 2 8.062 -12.271 -12.713 15 HB3 MET 2 1HB MET 2 7.177 -12.974 -14.060 16 HG2 MET 2 2HG MET 2 8.975 -14.428 -13.200 17 HG3 MET 2 1HG MET 2 9.162 -14.016 -14.904 18 HE1 MET 2 3HE MET 2 9.897 -11.734 -11.788 19 HE2 MET 2 1HE MET 2 11.617 -12.012 -11.536 20 HE3 MET 2 2HE MET 2 10.459 -13.309 -11.230 21 H ARG 3 H ARG 3 9.961 -12.351 -16.312 22 HA ARG 3 HA ARG 3 8.229 -11.791 -18.618 23 HB2 ARG 3 2HB ARG 3 10.230 -12.273 -19.979 24 HB3 ARG 3 1HB ARG 3 10.511 -10.997 -18.800 25 HG2 ARG 3 2HG ARG 3 11.612 -12.669 -17.324 26 HG3 ARG 3 1HG ARG 3 11.422 -13.867 -18.607 27 HD2 ARG 3 2HD ARG 3 12.952 -11.272 -18.829 28 HD3 ARG 3 1HD ARG 3 13.669 -12.864 -18.598 29 HE ARG 3 HE ARG 3 12.256 -13.209 -20.856 30 HH11 ARG 3 1HH1 ARG 3 14.445 -10.711 -19.911 31 HH12 ARG 3 2HH1 ARG 3 15.025 -10.476 -21.523 32 HH21 ARG 3 1HH2 ARG 3 12.995 -12.871 -22.899 33 HH22 ARG 3 2HH2 ARG 3 14.219 -11.681 -23.195 34 H LEU 4 H LEU 4 7.956 -14.122 -16.632 35 HA LEU 4 HA LEU 4 8.059 -16.335 -18.586 36 HB2 LEU 4 2HB LEU 4 8.228 -16.432 -15.567 37 HB3 LEU 4 1HB LEU 4 8.031 -17.853 -16.572 38 HG LEU 4 HG LEU 4 10.317 -17.811 -16.066 39 HD11 LEU 4 1HD1 LEU 4 10.054 -16.464 -18.748 40 HD12 LEU 4 2HD1 LEU 4 9.915 -18.195 -18.432 41 HD13 LEU 4 3HD1 LEU 4 11.454 -17.375 -18.177 42 HD21 LEU 4 3HD2 LEU 4 11.758 -15.840 -16.269 43 HD22 LEU 4 1HD2 LEU 4 10.453 -15.581 -15.114 44 HD23 LEU 4 2HD2 LEU 4 10.359 -14.866 -16.722 45 H ALA 5 H ALA 5 6.416 -18.168 -17.750 46 HA ALA 5 HA ALA 5 3.789 -16.854 -17.361 47 HB1 ALA 5 3HB ALA 5 2.797 -18.591 -18.766 48 HB2 ALA 5 1HB ALA 5 4.384 -19.326 -18.994 49 HB3 ALA 5 2HB ALA 5 4.056 -17.721 -19.644 50 H ASN 6 H ASN 6 2.479 -17.647 -15.775 51 HA ASN 6 HA ASN 6 3.495 -19.921 -14.193 52 HB2 ASN 6 2HB ASN 6 1.629 -17.682 -13.367 53 HB3 ASN 6 1HB ASN 6 2.180 -18.988 -12.320 54 HD21 ASN 6 1HD2 ASN 6 2.549 -16.127 -12.008 55 HD22 ASN 6 2HD2 ASN 6 4.254 -15.863 -11.958 56 H GLY 7 H GLY 7 0.742 -18.800 -16.007 57 HA2 GLY 7 2HA GLY 7 -0.981 -20.145 -16.861 58 HA3 GLY 7 1HA GLY 7 -0.516 -21.418 -15.747 59 H ILE 8 H ILE 8 -2.929 -19.271 -16.455 60 HA ILE 8 HA ILE 8 -3.664 -18.601 -13.718 61 HB ILE 8 HB ILE 8 -5.593 -17.424 -14.715 62 HG12 ILE 8 2HG1 ILE 8 -4.421 -18.307 -17.375 63 HG13 ILE 8 1HG1 ILE 8 -5.930 -18.890 -16.680 64 HG21 ILE 8 1HG2 ILE 8 -2.921 -16.750 -15.955 65 HG22 ILE 8 2HG2 ILE 8 -3.505 -16.232 -14.373 66 HG23 ILE 8 3HG2 ILE 8 -4.302 -15.656 -15.838 67 HD11 ILE 8 3HD1 ILE 8 -6.856 -16.628 -16.818 68 HD12 ILE 8 1HD1 ILE 8 -6.352 -17.239 -18.394 69 HD13 ILE 8 2HD1 ILE 8 -5.348 -16.066 -17.543 70 H VAL 9 H VAL 9 -5.213 -19.539 -12.512 71 HA VAL 9 HA VAL 9 -6.354 -22.041 -13.231 72 HB VAL 9 HB VAL 9 -7.134 -20.173 -10.972 73 HG11 VAL 9 1HG1 VAL 9 -7.683 -23.121 -11.352 74 HG12 VAL 9 2HG1 VAL 9 -8.871 -21.818 -11.385 75 HG13 VAL 9 3HG1 VAL 9 -8.027 -22.202 -9.886 76 HG21 VAL 9 3HG2 VAL 9 -4.762 -20.781 -10.887 77 HG22 VAL 9 1HG2 VAL 9 -5.192 -22.490 -10.973 78 HG23 VAL 9 2HG2 VAL 9 -5.661 -21.533 -9.568 79 H LEU 10 H LEU 10 -7.709 -18.772 -12.916 80 HA LEU 10 HA LEU 10 -9.786 -19.391 -14.848 81 HB2 LEU 10 2HB LEU 10 -11.541 -18.412 -13.250 82 HB3 LEU 10 1HB LEU 10 -11.021 -20.061 -12.983 83 HG LEU 10 HG LEU 10 -9.467 -19.185 -11.185 84 HD11 LEU 10 1HD1 LEU 10 -11.085 -16.658 -11.533 85 HD12 LEU 10 2HD1 LEU 10 -9.360 -16.848 -11.849 86 HD13 LEU 10 3HD1 LEU 10 -9.974 -17.000 -10.205 87 HD21 LEU 10 3HD2 LEU 10 -11.540 -20.296 -10.622 88 HD22 LEU 10 1HD2 LEU 10 -12.439 -18.791 -10.828 89 HD23 LEU 10 2HD2 LEU 10 -11.267 -18.948 -9.519 90 H ASP 11 H ASP 11 -11.310 -17.239 -14.916 91 HA ASP 11 HA ASP 11 -9.686 -15.152 -15.867 92 HB2 ASP 11 2HB ASP 11 -12.015 -15.515 -16.587 93 HB3 ASP 11 1HB ASP 11 -12.584 -15.032 -14.993 94 H LYS 12 H LYS 12 -8.289 -14.103 -14.607 95 HA LYS 12 HA LYS 12 -8.339 -13.984 -11.827 96 HB2 LYS 12 2HB LYS 12 -6.297 -13.792 -13.129 97 HB3 LYS 12 1HB LYS 12 -6.837 -12.271 -13.817 98 HG2 LYS 12 2HG LYS 12 -6.615 -12.394 -10.858 99 HG3 LYS 12 1HG LYS 12 -5.110 -12.441 -11.772 100 HD2 LYS 12 2HD LYS 12 -7.239 -10.296 -11.945 101 HD3 LYS 12 1HD LYS 12 -5.668 -10.147 -11.155 102 HE2 LYS 12 2HE LYS 12 -4.577 -10.546 -13.346 103 HE3 LYS 12 1HE LYS 12 -6.168 -10.575 -14.104 104 HZ1 LYS 12 3HZ LYS 12 -6.440 -8.264 -13.097 105 HZ2 LYS 12 1HZ LYS 12 -5.398 -8.422 -14.421 106 HZ3 LYS 12 2HZ LYS 12 -4.765 -8.293 -12.865 107 H ASP 13 H ASP 13 -9.005 -12.562 -10.321 108 HA ASP 13 HA ASP 13 -11.126 -10.867 -10.602 109 HB2 ASP 13 2HB ASP 13 -8.860 -10.522 -8.620 110 HB3 ASP 13 1HB ASP 13 -10.487 -9.873 -8.452 111 H THR 14 H THR 14 -11.189 -9.350 -12.184 112 HA THR 14 HA THR 14 -9.210 -7.157 -12.017 113 HB THR 14 HB THR 14 -8.844 -8.356 -14.106 114 HG1 THR 14 HG1 THR 14 -10.122 -6.161 -15.181 115 HG21 THR 14 3HG2 THR 14 -10.600 -8.400 -15.857 116 HG22 THR 14 1HG2 THR 14 -11.758 -7.785 -14.677 117 HG23 THR 14 2HG2 THR 14 -11.018 -9.371 -14.445 118 H THR 15 H THR 15 -12.560 -8.057 -12.634 119 HA THR 15 HA THR 15 -13.444 -5.282 -12.581 120 HB THR 15 HB THR 15 -15.743 -6.269 -12.814 121 HG1 THR 15 HG1 THR 15 -16.003 -8.440 -12.954 122 HG21 THR 15 3HG2 THR 15 -14.512 -5.598 -14.803 123 HG22 THR 15 1HG2 THR 15 -15.419 -7.075 -15.132 124 HG23 THR 15 2HG2 THR 15 -13.680 -7.154 -14.842 125 H PHE 16 H PHE 16 -12.751 -4.757 -10.447 126 HA PHE 16 HA PHE 16 -13.820 -6.197 -8.175 127 HB2 PHE 16 2HB PHE 16 -12.317 -3.566 -8.273 128 HB3 PHE 16 1HB PHE 16 -12.664 -4.494 -6.821 129 HD1 PHE 16 HD2 PHE 16 -11.549 -6.700 -6.474 130 HD2 PHE 16 HD1 PHE 16 -10.468 -4.094 -9.667 131 HE1 PHE 16 HE2 PHE 16 -9.427 -7.917 -6.745 132 HE2 PHE 16 HE1 PHE 16 -8.345 -5.308 -9.942 133 HZ PHE 16 HZ PHE 16 -7.822 -7.221 -8.481 134 H GLY 17 H GLY 17 -15.502 -5.593 -6.848 135 HA2 GLY 17 2HA GLY 17 -17.352 -3.567 -7.667 136 HA3 GLY 17 1HA GLY 17 -17.397 -4.466 -6.155 137 H GLU 18 H GLU 18 -18.001 -2.423 -5.118 138 HA GLU 18 HA GLU 18 -16.278 -0.172 -5.145 139 HB2 GLU 18 2HB GLU 18 -18.202 -0.950 -2.936 140 HB3 GLU 18 1HB GLU 18 -17.541 0.650 -3.235 141 HG2 GLU 18 2HG GLU 18 -19.622 0.883 -4.153 142 HG3 GLU 18 1HG GLU 18 -18.712 0.366 -5.571 143 H LEU 19 H LEU 19 -14.197 -0.335 -4.544 144 HA LEU 19 HA LEU 19 -13.275 -2.095 -2.475 145 HB2 LEU 19 2HB LEU 19 -11.869 0.193 -3.870 146 HB3 LEU 19 1HB LEU 19 -11.092 -0.972 -2.814 147 HG LEU 19 HG LEU 19 -12.413 -1.607 -5.463 148 HD11 LEU 19 1HD1 LEU 19 -9.493 -1.527 -4.704 149 HD12 LEU 19 2HD1 LEU 19 -10.328 -0.358 -5.726 150 HD13 LEU 19 3HD1 LEU 19 -10.148 -2.027 -6.263 151 HD21 LEU 19 3HD2 LEU 19 -11.505 -3.843 -5.183 152 HD22 LEU 19 1HD2 LEU 19 -12.579 -3.450 -3.839 153 HD23 LEU 19 2HD2 LEU 19 -10.830 -3.398 -3.616 154 H LYS 20 H LYS 20 -13.135 -1.705 -0.331 155 HA LYS 20 HA LYS 20 -13.565 1.078 0.578 156 HB2 LYS 20 2HB LYS 20 -14.212 -1.479 2.061 157 HB3 LYS 20 1HB LYS 20 -14.525 0.156 2.631 158 HG2 LYS 20 2HG LYS 20 -16.049 0.481 0.691 159 HG3 LYS 20 1HG LYS 20 -15.806 -1.214 0.267 160 HD2 LYS 20 2HD LYS 20 -16.662 -1.826 2.545 161 HD3 LYS 20 1HD LYS 20 -17.042 -0.123 2.801 162 HE2 LYS 20 2HE LYS 20 -19.047 -1.214 2.106 163 HE3 LYS 20 1HE LYS 20 -18.490 -0.220 0.760 164 HZ1 LYS 20 3HZ LYS 20 -19.176 -2.354 -0.047 165 HZ2 LYS 20 1HZ LYS 20 -18.165 -3.156 1.047 166 HZ3 LYS 20 2HZ LYS 20 -17.497 -2.243 -0.204 167 H PHE 21 H PHE 21 -12.057 2.036 1.758 168 HA PHE 21 HA PHE 21 -9.518 0.884 2.252 169 HB2 PHE 21 2HB PHE 21 -9.876 3.301 1.909 170 HB3 PHE 21 1HB PHE 21 -10.767 3.390 3.425 171 HD1 PHE 21 HD1 PHE 21 -7.434 2.749 1.948 172 HD2 PHE 21 HD2 PHE 21 -9.628 3.641 5.491 173 HE1 PHE 21 HE1 PHE 21 -5.329 3.200 3.137 174 HE2 PHE 21 HE2 PHE 21 -7.525 4.097 6.682 175 HZ PHE 21 HZ PHE 21 -5.370 3.876 5.505 176 H SER 22 H SER 22 -8.701 -0.186 4.002 177 HA SER 22 HA SER 22 -10.451 -0.437 6.386 178 HB2 SER 22 2HB SER 22 -8.416 -2.480 5.451 179 HB3 SER 22 1HB SER 22 -9.656 -2.684 6.690 180 HG SER 22 HG SER 22 -10.109 -2.256 3.919 181 H ALA 23 H ALA 23 -7.005 -0.969 5.564 182 HA ALA 23 HA ALA 23 -6.110 0.853 7.617 183 HB1 ALA 23 3HB ALA 23 -5.586 -2.098 8.005 184 HB2 ALA 23 1HB ALA 23 -6.712 -1.127 8.954 185 HB3 ALA 23 2HB ALA 23 -4.983 -0.781 9.013 186 H LEU 24 H LEU 24 -3.572 0.318 7.974 187 HA LEU 24 HA LEU 24 -2.383 0.049 5.284 188 HB2 LEU 24 2HB LEU 24 -1.956 2.174 6.447 189 HB3 LEU 24 1HB LEU 24 -1.274 1.304 7.807 190 HG LEU 24 HG LEU 24 0.539 0.472 6.304 191 HD11 LEU 24 1HD1 LEU 24 0.898 1.549 4.151 192 HD12 LEU 24 2HD1 LEU 24 -0.626 2.423 4.321 193 HD13 LEU 24 3HD1 LEU 24 -0.626 0.664 4.170 194 HD21 LEU 24 3HD2 LEU 24 0.909 2.394 7.750 195 HD22 LEU 24 1HD2 LEU 24 0.267 3.472 6.510 196 HD23 LEU 24 2HD2 LEU 24 1.767 2.591 6.224 197 H ARG 25 H ARG 25 -1.721 -1.994 4.928 198 HA ARG 25 HA ARG 25 -1.390 -3.948 6.895 199 HB2 ARG 25 2HB ARG 25 -1.908 -4.514 4.596 200 HB3 ARG 25 1HB ARG 25 -0.363 -3.875 4.053 201 HG2 ARG 25 2HG ARG 25 -0.333 -6.305 4.106 202 HG3 ARG 25 1HG ARG 25 0.807 -5.642 5.275 203 HD2 ARG 25 2HD ARG 25 -0.482 -7.566 6.156 204 HD3 ARG 25 1HD ARG 25 -0.722 -6.092 7.091 205 HE ARG 25 HE ARG 25 -2.769 -6.073 5.302 206 HH11 ARG 25 1HH1 ARG 25 -1.662 -8.386 7.604 207 HH12 ARG 25 2HH1 ARG 25 -3.246 -9.017 7.884 208 HH21 ARG 25 1HH2 ARG 25 -4.780 -6.867 5.681 209 HH22 ARG 25 2HH2 ARG 25 -4.999 -8.158 6.822 210 H ARG 26 H ARG 26 1.172 -2.207 5.069 211 HA ARG 26 HA ARG 26 3.050 -2.333 7.187 212 HB2 ARG 26 2HB ARG 26 3.089 -4.709 6.796 213 HB3 ARG 26 1HB ARG 26 3.280 -4.479 5.063 214 HG2 ARG 26 2HG ARG 26 5.509 -3.531 5.439 215 HG3 ARG 26 1HG ARG 26 5.310 -3.769 7.173 216 HD2 ARG 26 2HD ARG 26 5.409 -5.909 5.045 217 HD3 ARG 26 1HD ARG 26 6.640 -5.573 6.263 218 HE ARG 26 HE ARG 26 4.346 -6.116 7.674 219 HH11 ARG 26 1HH1 ARG 26 6.355 -7.789 5.432 220 HH12 ARG 26 2HH1 ARG 26 5.918 -9.348 6.039 221 HH21 ARG 26 1HH2 ARG 26 3.804 -8.108 8.452 222 HH22 ARG 26 2HH2 ARG 26 4.475 -9.531 7.725 223 H GLU 27 H GLU 27 4.610 -0.856 6.838 224 HA GLU 27 HA GLU 27 5.230 -0.053 4.067 225 HB2 GLU 27 2HB GLU 27 5.973 1.342 6.652 226 HB3 GLU 27 1HB GLU 27 6.226 1.956 5.024 227 HG2 GLU 27 2HG GLU 27 3.804 2.056 4.687 228 HG3 GLU 27 1HG GLU 27 3.553 1.448 6.325 229 H VAL 28 H VAL 28 6.864 -1.296 3.270 230 HA VAL 28 HA VAL 28 8.902 -2.397 4.997 231 HB VAL 28 HB VAL 28 9.876 -3.344 2.903 232 HG11 VAL 28 1HG1 VAL 28 8.024 -4.893 2.446 233 HG12 VAL 28 2HG1 VAL 28 6.914 -3.809 3.284 234 HG13 VAL 28 3HG1 VAL 28 8.216 -4.597 4.174 235 HG21 VAL 28 3HG2 VAL 28 9.237 -1.599 1.319 236 HG22 VAL 28 1HG2 VAL 28 7.531 -1.975 1.565 237 HG23 VAL 28 2HG2 VAL 28 8.595 -3.158 0.803 238 H ARG 29 H ARG 29 10.556 -1.209 5.713 239 HA ARG 29 HA ARG 29 11.419 1.164 4.334 240 HB2 ARG 29 2HB ARG 29 12.245 -0.157 6.899 241 HB3 ARG 29 1HB ARG 29 13.170 1.184 6.235 242 HG2 ARG 29 2HG ARG 29 11.140 2.586 6.297 243 HG3 ARG 29 1HG ARG 29 10.253 1.241 7.015 244 HD2 ARG 29 2HD ARG 29 11.637 1.285 8.968 245 HD3 ARG 29 1HD ARG 29 12.732 2.453 8.233 246 HE ARG 29 HE ARG 29 10.309 3.711 8.260 247 HH11 ARG 29 1HH1 ARG 29 12.254 2.192 10.659 248 HH12 ARG 29 2HH1 ARG 29 11.763 3.280 11.908 249 HH21 ARG 29 1HH2 ARG 29 9.683 5.109 9.872 250 HH22 ARG 29 2HH2 ARG 29 10.322 4.916 11.466 251 H ILE 30 H ILE 30 13.717 1.626 3.918 252 HA ILE 30 HA ILE 30 14.785 -0.391 2.164 253 HB ILE 30 HB ILE 30 16.037 2.262 2.923 254 HG12 ILE 30 2HG1 ILE 30 14.181 1.654 0.600 255 HG13 ILE 30 1HG1 ILE 30 13.702 2.506 2.063 256 HG21 ILE 30 1HG2 ILE 30 16.413 0.492 0.495 257 HG22 ILE 30 2HG2 ILE 30 17.568 0.702 1.814 258 HG23 ILE 30 3HG2 ILE 30 17.182 2.059 0.757 259 HD11 ILE 30 3HD1 ILE 30 15.727 3.425 0.037 260 HD12 ILE 30 1HD1 ILE 30 15.342 4.266 1.539 261 HD13 ILE 30 2HD1 ILE 30 14.109 4.078 0.293 262 H GLN 31 H GLN 31 15.775 -2.102 3.131 263 HA GLN 31 HA GLN 31 17.411 -1.815 5.482 264 HB2 GLN 31 2HB GLN 31 16.149 -3.867 5.111 265 HB3 GLN 31 1HB GLN 31 17.025 -4.170 3.617 266 HG2 GLN 31 2HG GLN 31 19.099 -4.454 4.866 267 HG3 GLN 31 1HG GLN 31 18.259 -4.083 6.371 268 HE21 GLN 31 1HE2 GLN 31 18.803 -6.064 7.263 269 HE22 GLN 31 2HE2 GLN 31 18.062 -7.539 6.757 270 H ASN 32 H ASN 32 19.477 -1.196 5.525 271 HA ASN 32 HA ASN 32 20.976 -0.644 3.187 272 HB2 ASN 32 2HB ASN 32 21.858 -0.839 6.078 273 HB3 ASN 32 1HB ASN 32 22.844 -0.187 4.773 274 HD21 ASN 32 1HD2 ASN 32 21.778 1.095 7.215 275 HD22 ASN 32 2HD2 ASN 32 20.894 2.465 6.650 276 H GLU 33 H GLU 33 22.822 -1.632 2.342 277 HA GLU 33 HA GLU 33 22.789 -4.447 2.250 278 HB2 GLU 33 2HB GLU 33 25.018 -2.587 1.384 279 HB3 GLU 33 1HB GLU 33 24.793 -4.254 0.862 280 HG2 GLU 33 2HG GLU 33 22.646 -3.614 -0.176 281 HG3 GLU 33 1HG GLU 33 22.942 -1.941 0.290 282 H ASP 34 H ASP 34 24.226 -2.335 4.495 283 HA ASP 34 HA ASP 34 26.327 -4.014 5.441 284 HB2 ASP 34 2HB ASP 34 24.806 -1.895 6.980 285 HB3 ASP 34 1HB ASP 34 26.426 -2.500 7.321 286 H GLY 35 H GLY 35 22.897 -3.978 5.913 287 HA2 GLY 35 2HA GLY 35 22.065 -6.208 6.753 288 HA3 GLY 35 1HA GLY 35 23.132 -5.939 8.123 289 H SER 36 H SER 36 22.623 -3.223 8.576 290 HA SER 36 HA SER 36 20.208 -3.416 10.097 291 HB2 SER 36 2HB SER 36 21.975 -0.993 9.637 292 HB3 SER 36 1HB SER 36 20.781 -1.186 10.922 293 HG SER 36 HG SER 36 22.689 -1.724 11.847 294 H VAL 37 H VAL 37 18.463 -1.792 10.048 295 HA VAL 37 HA VAL 37 17.590 -1.309 7.296 296 HB VAL 37 HB VAL 37 16.047 -1.005 9.886 297 HG11 VAL 37 1HG1 VAL 37 14.052 -1.023 8.449 298 HG12 VAL 37 2HG1 VAL 37 15.087 -1.060 7.022 299 HG13 VAL 37 3HG1 VAL 37 15.108 0.344 8.086 300 HG21 VAL 37 3HG2 VAL 37 16.733 -3.320 9.543 301 HG22 VAL 37 1HG2 VAL 37 16.076 -3.291 7.907 302 HG23 VAL 37 2HG2 VAL 37 14.997 -3.150 9.294 303 H SER 38 H SER 38 17.253 0.690 6.418 304 HA SER 38 HA SER 38 18.410 2.982 7.740 305 HB2 SER 38 2HB SER 38 18.775 2.671 5.341 306 HB3 SER 38 1HB SER 38 17.040 2.755 5.044 307 HG SER 38 HG SER 38 18.705 4.752 5.038 308 H ASP 39 H ASP 39 17.106 5.155 7.242 309 HA ASP 39 HA ASP 39 14.802 5.062 8.971 310 HB2 ASP 39 2HB ASP 39 16.566 6.880 8.954 311 HB3 ASP 39 1HB ASP 39 15.895 7.429 7.424 312 H GLU 40 H GLU 40 15.398 5.767 5.543 313 HA GLU 40 HA GLU 40 12.725 6.601 4.982 314 HB2 GLU 40 2HB GLU 40 15.073 5.940 3.209 315 HB3 GLU 40 1HB GLU 40 13.518 6.463 2.571 316 HG2 GLU 40 2HG GLU 40 15.285 8.032 4.449 317 HG3 GLU 40 1HG GLU 40 15.079 8.320 2.721 318 H ILE 41 H ILE 41 11.295 5.648 3.408 319 HA ILE 41 HA ILE 41 11.111 2.737 3.772 320 HB ILE 41 HB ILE 41 8.900 4.649 2.991 321 HG12 ILE 41 2HG1 ILE 41 9.584 3.517 5.723 322 HG13 ILE 41 1HG1 ILE 41 9.777 5.196 5.232 323 HG21 ILE 41 1HG2 ILE 41 7.407 2.808 3.661 324 HG22 ILE 41 2HG2 ILE 41 8.815 1.790 3.977 325 HG23 ILE 41 3HG2 ILE 41 8.473 2.338 2.333 326 HD11 ILE 41 3HD1 ILE 41 7.176 3.701 5.468 327 HD12 ILE 41 1HD1 ILE 41 7.353 5.379 4.949 328 HD13 ILE 41 2HD1 ILE 41 7.802 4.909 6.591 329 H LYS 42 H LYS 42 10.477 1.378 2.011 330 HA LYS 42 HA LYS 42 11.299 2.362 -0.613 331 HB2 LYS 42 2HB LYS 42 12.139 0.185 0.328 332 HB3 LYS 42 1HB LYS 42 10.508 -0.450 0.182 333 HG2 LYS 42 2HG LYS 42 11.850 -1.185 -1.687 334 HG3 LYS 42 1HG LYS 42 10.600 -0.073 -2.256 335 HD2 LYS 42 2HD LYS 42 12.233 1.749 -2.315 336 HD3 LYS 42 1HD LYS 42 13.482 0.662 -1.705 337 HE2 LYS 42 2HE LYS 42 13.273 -0.714 -3.719 338 HE3 LYS 42 1HE LYS 42 12.013 0.361 -4.327 339 HZ1 LYS 42 3HZ LYS 42 13.648 2.167 -4.336 340 HZ2 LYS 42 1HZ LYS 42 14.129 0.885 -5.330 341 HZ3 LYS 42 2HZ LYS 42 14.845 1.093 -3.818 342 H GLU 43 H GLU 43 8.549 0.404 0.612 343 HA GLU 43 HA GLU 43 6.677 2.071 -0.835 344 HB2 GLU 43 2HB GLU 43 5.644 0.244 -2.117 345 HB3 GLU 43 1HB GLU 43 7.309 0.520 -2.605 346 HG2 GLU 43 2HG GLU 43 7.979 -1.427 -1.198 347 HG3 GLU 43 1HG GLU 43 6.269 -1.733 -0.893 348 H ARG 44 H ARG 44 4.375 1.438 -0.387 349 HA ARG 44 HA ARG 44 4.158 0.232 2.300 350 HB2 ARG 44 2HB ARG 44 2.398 2.031 2.750 351 HB3 ARG 44 1HB ARG 44 4.082 2.531 2.748 352 HG2 ARG 44 2HG ARG 44 3.827 3.412 0.475 353 HG3 ARG 44 1HG ARG 44 2.134 2.910 0.474 354 HD2 ARG 44 2HD ARG 44 2.497 5.335 0.980 355 HD3 ARG 44 1HD ARG 44 1.596 4.457 2.217 356 HE ARG 44 HE ARG 44 3.578 4.469 3.586 357 HH11 ARG 44 1HH1 ARG 44 3.687 6.571 0.842 358 HH12 ARG 44 2HH1 ARG 44 4.944 7.539 1.517 359 HH21 ARG 44 1HH2 ARG 44 5.147 5.717 4.432 360 HH22 ARG 44 2HH2 ARG 44 5.773 7.064 3.535 361 H THR 45 H THR 45 2.674 -1.273 2.525 362 HA THR 45 HA THR 45 0.768 -1.807 0.367 363 HB THR 45 HB THR 45 1.618 -3.517 2.733 364 HG1 THR 45 HG1 THR 45 2.239 -4.422 0.233 365 HG21 THR 45 3HG2 THR 45 -0.090 -4.223 0.327 366 HG22 THR 45 1HG2 THR 45 -0.645 -4.107 1.998 367 HG23 THR 45 2HG2 THR 45 0.501 -5.366 1.534 368 H TYR 46 H TYR 46 -1.377 -1.487 0.577 369 HA TYR 46 HA TYR 46 -2.492 -0.812 3.225 370 HB2 TYR 46 2HB TYR 46 -3.432 -0.094 0.437 371 HB3 TYR 46 1HB TYR 46 -4.352 0.248 1.896 372 HD1 TYR 46 HD2 TYR 46 -1.131 0.982 0.184 373 HD2 TYR 46 HD1 TYR 46 -3.924 2.182 3.159 374 HE1 TYR 46 HE2 TYR 46 0.050 3.125 0.418 375 HE2 TYR 46 HE1 TYR 46 -2.757 4.331 3.402 376 HH TYR 46 HH TYR 46 -0.378 5.381 1.177 377 H ASP 47 H ASP 47 -4.756 -1.415 3.614 378 HA ASP 47 HA ASP 47 -5.414 -4.091 2.565 379 HB2 ASP 47 2HB ASP 47 -6.143 -2.692 5.149 380 HB3 ASP 47 1HB ASP 47 -6.861 -4.219 4.648 381 H LEU 48 H LEU 48 -6.849 -3.941 0.896 382 HA LEU 48 HA LEU 48 -9.218 -2.186 1.267 383 HB2 LEU 48 2HB LEU 48 -7.953 -2.959 -1.373 384 HB3 LEU 48 1HB LEU 48 -9.301 -1.862 -1.137 385 HG LEU 48 HG LEU 48 -6.434 -1.376 -0.299 386 HD11 LEU 48 1HD1 LEU 48 -8.144 -0.062 -2.411 387 HD12 LEU 48 2HD1 LEU 48 -6.804 -1.171 -2.701 388 HD13 LEU 48 3HD1 LEU 48 -6.500 0.405 -1.972 389 HD21 LEU 48 3HD2 LEU 48 -7.200 0.868 0.348 390 HD22 LEU 48 1HD2 LEU 48 -7.957 -0.388 1.325 391 HD23 LEU 48 2HD2 LEU 48 -8.866 0.387 0.029 392 H LYS 49 H LYS 49 -11.155 -3.271 1.324 393 HA LYS 49 HA LYS 49 -11.139 -6.094 0.509 394 HB2 LYS 49 2HB LYS 49 -13.274 -6.331 1.672 395 HB3 LYS 49 1HB LYS 49 -12.043 -5.664 2.727 396 HG2 LYS 49 2HG LYS 49 -13.767 -3.698 1.343 397 HG3 LYS 49 1HG LYS 49 -14.556 -4.712 2.548 398 HD2 LYS 49 2HD LYS 49 -12.084 -3.041 3.025 399 HD3 LYS 49 1HD LYS 49 -13.725 -2.590 3.490 400 HE2 LYS 49 2HE LYS 49 -12.218 -5.017 4.491 401 HE3 LYS 49 1HE LYS 49 -12.446 -3.513 5.381 402 HZ1 LYS 49 3HZ LYS 49 -14.030 -5.173 6.082 403 HZ2 LYS 49 1HZ LYS 49 -14.605 -5.356 4.504 404 HZ3 LYS 49 2HZ LYS 49 -14.845 -3.900 5.325 405 H SER 50 H SER 50 -12.268 -6.939 -1.143 406 HA SER 50 HA SER 50 -13.615 -5.055 -2.962 407 HB2 SER 50 2HB SER 50 -11.748 -6.317 -3.924 408 HB3 SER 50 1HB SER 50 -12.522 -7.839 -3.473 409 HG SER 50 HG SER 50 -12.786 -6.951 -5.725 410 H LYS 51 H LYS 51 -15.772 -5.039 -3.010 411 HA LYS 51 HA LYS 51 -17.377 -6.883 -1.575 412 HB2 LYS 51 2HB LYS 51 -17.959 -4.488 -2.027 413 HB3 LYS 51 1HB LYS 51 -18.261 -4.915 -3.704 414 HG2 LYS 51 2HG LYS 51 -20.358 -4.792 -2.546 415 HG3 LYS 51 1HG LYS 51 -20.036 -6.482 -2.943 416 HD2 LYS 51 2HD LYS 51 -19.283 -6.897 -0.664 417 HD3 LYS 51 1HD LYS 51 -19.504 -5.194 -0.257 418 HE2 LYS 51 2HE LYS 51 -21.375 -6.478 0.581 419 HE3 LYS 51 1HE LYS 51 -21.922 -5.430 -0.728 420 HZ1 LYS 51 3HZ LYS 51 -21.314 -8.328 -0.976 421 HZ2 LYS 51 1HZ LYS 51 -21.853 -7.324 -2.226 422 HZ3 LYS 51 2HZ LYS 51 -22.858 -7.643 -0.910 423 H GLY 52 H GLY 52 -18.094 -8.856 -2.170 424 HA2 GLY 52 2HA GLY 52 -19.452 -10.114 -3.766 425 HA3 GLY 52 1HA GLY 52 -18.500 -9.401 -5.056 426 H GLN 53 H GLN 53 -15.948 -9.843 -3.584 427 HA GLN 53 HA GLN 53 -15.636 -12.656 -4.369 428 HB2 GLN 53 2HB GLN 53 -13.522 -10.556 -3.824 429 HB3 GLN 53 1HB GLN 53 -13.226 -12.177 -4.438 430 HG2 GLN 53 2HG GLN 53 -14.770 -9.999 -5.841 431 HG3 GLN 53 1HG GLN 53 -13.141 -10.546 -6.237 432 HE21 GLN 53 1HE2 GLN 53 -12.879 -12.520 -7.297 433 HE22 GLN 53 2HE2 GLN 53 -14.199 -13.343 -8.048 434 H GLY 54 H GLY 54 -15.888 -10.803 -1.532 435 HA2 GLY 54 2HA GLY 54 -15.884 -11.442 0.674 436 HA3 GLY 54 1HA GLY 54 -15.672 -13.096 0.134 437 H ARG 55 H ARG 55 -13.232 -10.974 -0.986 438 HA ARG 55 HA ARG 55 -11.489 -11.562 1.299 439 HB2 ARG 55 2HB ARG 55 -9.675 -12.342 -0.176 440 HB3 ARG 55 1HB ARG 55 -11.079 -13.397 -0.234 441 HG2 ARG 55 2HG ARG 55 -11.736 -12.453 -2.379 442 HG3 ARG 55 1HG ARG 55 -10.383 -11.319 -2.314 443 HD2 ARG 55 2HD ARG 55 -8.800 -13.169 -2.362 444 HD3 ARG 55 1HD ARG 55 -10.123 -14.332 -2.334 445 HE ARG 55 HE ARG 55 -10.509 -12.730 -4.569 446 HH11 ARG 55 1HH1 ARG 55 -8.065 -14.875 -3.414 447 HH12 ARG 55 2HH1 ARG 55 -7.664 -15.442 -4.997 448 HH21 ARG 55 1HH2 ARG 55 -9.945 -13.443 -6.606 449 HH22 ARG 55 2HH2 ARG 55 -8.701 -14.636 -6.769 450 H MET 56 H MET 56 -9.442 -10.366 1.260 451 HA MET 56 HA MET 56 -9.875 -7.668 0.176 452 HB2 MET 56 2HB MET 56 -8.376 -6.881 1.922 453 HB3 MET 56 1HB MET 56 -9.650 -7.864 2.626 454 HG2 MET 56 2HG MET 56 -6.819 -8.752 2.089 455 HG3 MET 56 1HG MET 56 -7.499 -8.331 3.659 456 HE1 MET 56 3HE MET 56 -9.338 -9.805 4.925 457 HE2 MET 56 1HE MET 56 -10.103 -11.220 4.203 458 HE3 MET 56 2HE MET 56 -10.389 -9.621 3.521 459 H ILE 57 H ILE 57 -8.254 -6.558 -0.911 460 HA ILE 57 HA ILE 57 -6.085 -8.217 -2.006 461 HB ILE 57 HB ILE 57 -5.894 -6.505 -3.784 462 HG12 ILE 57 2HG1 ILE 57 -8.344 -5.284 -2.471 463 HG13 ILE 57 1HG1 ILE 57 -6.742 -4.559 -2.536 464 HG21 ILE 57 1HG2 ILE 57 -7.968 -7.089 -4.962 465 HG22 ILE 57 2HG2 ILE 57 -8.669 -7.653 -3.444 466 HG23 ILE 57 3HG2 ILE 57 -7.275 -8.484 -4.133 467 HD11 ILE 57 3HD1 ILE 57 -8.519 -5.130 -4.898 468 HD12 ILE 57 1HD1 ILE 57 -6.906 -4.417 -4.970 469 HD13 ILE 57 2HD1 ILE 57 -8.217 -3.552 -4.167 470 H GLN 58 H GLN 58 -3.976 -7.688 -1.746 471 HA GLN 58 HA GLN 58 -3.329 -5.538 0.134 472 HB2 GLN 58 2HB GLN 58 -1.562 -7.703 -1.043 473 HB3 GLN 58 1HB GLN 58 -1.127 -6.612 0.267 474 HG2 GLN 58 2HG GLN 58 -3.384 -8.608 0.401 475 HG3 GLN 58 1HG GLN 58 -1.753 -8.905 1.000 476 HE21 GLN 58 1HE2 GLN 58 -4.680 -7.055 1.477 477 HE22 GLN 58 2HE2 GLN 58 -4.325 -6.557 3.091 478 H VAL 59 H VAL 59 -3.091 -3.585 -0.844 479 HA VAL 59 HA VAL 59 -1.833 -3.498 -3.515 480 HB VAL 59 HB VAL 59 -3.557 -1.404 -2.168 481 HG11 VAL 59 1HG1 VAL 59 -3.579 -0.301 -4.357 482 HG12 VAL 59 2HG1 VAL 59 -2.477 -1.525 -4.990 483 HG13 VAL 59 3HG1 VAL 59 -1.939 -0.424 -3.720 484 HG21 VAL 59 3HG2 VAL 59 -5.264 -2.055 -3.822 485 HG22 VAL 59 1HG2 VAL 59 -4.846 -3.390 -2.746 486 HG23 VAL 59 2HG2 VAL 59 -4.209 -3.349 -4.390 487 H SER 60 H SER 60 0.276 -3.007 -3.482 488 HA SER 60 HA SER 60 1.284 -1.189 -1.391 489 HB2 SER 60 2HB SER 60 3.503 -2.089 -1.853 490 HB3 SER 60 1HB SER 60 2.374 -3.401 -1.527 491 HG SER 60 HG SER 60 3.939 -3.228 -3.556 492 H ILE 61 H ILE 61 2.039 0.768 -1.857 493 HA ILE 61 HA ILE 61 2.576 1.475 -4.680 494 HB ILE 61 HB ILE 61 1.717 3.744 -4.212 495 HG12 ILE 61 2HG1 ILE 61 0.808 2.561 -1.567 496 HG13 ILE 61 1HG1 ILE 61 2.087 3.755 -1.772 497 HG21 ILE 61 1HG2 ILE 61 -0.293 1.556 -3.659 498 HG22 ILE 61 2HG2 ILE 61 0.254 2.092 -5.248 499 HG23 ILE 61 3HG2 ILE 61 -0.665 3.189 -4.219 500 HD11 ILE 61 3HD1 ILE 61 0.470 5.361 -2.608 501 HD12 ILE 61 1HD1 ILE 61 0.017 4.770 -1.011 502 HD13 ILE 61 2HD1 ILE 61 -0.818 4.167 -2.442 503 HA PRO 62 HA PRO 62 6.625 2.930 -3.576 504 HB2 PRO 62 2HB PRO 62 5.874 5.479 -4.960 505 HB3 PRO 62 1HB PRO 62 7.300 4.457 -5.184 506 HG2 PRO 62 2HG PRO 62 5.329 4.398 -6.959 507 HG3 PRO 62 1HG PRO 62 6.133 2.895 -6.468 508 HD2 PRO 62 2HD PRO 62 3.454 3.967 -5.663 509 HD3 PRO 62 1HD PRO 62 3.949 2.290 -5.978 510 H ALA 63 H ALA 63 7.605 4.047 -1.913 511 HA ALA 63 HA ALA 63 6.049 5.243 0.101 512 HB1 ALA 63 3HB ALA 63 8.203 4.164 0.530 513 HB2 ALA 63 1HB ALA 63 8.161 5.803 1.182 514 HB3 ALA 63 2HB ALA 63 9.029 5.471 -0.318 515 H SER 64 H SER 64 7.782 6.662 -2.599 516 HA SER 64 HA SER 64 7.739 9.369 -1.828 517 HB2 SER 64 2HB SER 64 9.039 8.556 -3.759 518 HB3 SER 64 1HB SER 64 7.542 8.219 -4.631 519 HG SER 64 HG SER 64 8.594 10.276 -5.123 520 H VAL 65 H VAL 65 5.191 7.291 -2.929 521 HA VAL 65 HA VAL 65 3.337 9.375 -3.617 522 HB VAL 65 HB VAL 65 2.799 6.474 -2.916 523 HG11 VAL 65 1HG1 VAL 65 1.044 8.519 -4.285 524 HG12 VAL 65 2HG1 VAL 65 0.794 7.828 -2.682 525 HG13 VAL 65 3HG1 VAL 65 0.668 6.804 -4.111 526 HG21 VAL 65 3HG2 VAL 65 2.703 6.102 -5.340 527 HG22 VAL 65 1HG2 VAL 65 4.290 6.693 -4.845 528 HG23 VAL 65 2HG2 VAL 65 3.144 7.788 -5.620 529 HA PRO 66 HA PRO 66 2.506 10.754 0.522 530 HB2 PRO 66 2HB PRO 66 -0.009 11.824 0.059 531 HB3 PRO 66 1HB PRO 66 1.519 12.644 -0.283 532 HG2 PRO 66 2HG PRO 66 -0.257 11.097 -2.138 533 HG3 PRO 66 1HG PRO 66 0.570 12.643 -2.411 534 HD2 PRO 66 2HD PRO 66 1.552 10.379 -3.425 535 HD3 PRO 66 1HD PRO 66 2.641 11.614 -2.751 536 H LEU 67 H LEU 67 1.555 10.024 2.337 537 HA LEU 67 HA LEU 67 0.168 7.591 2.452 538 HB2 LEU 67 2HB LEU 67 1.541 8.699 4.263 539 HB3 LEU 67 1HB LEU 67 0.181 9.765 4.553 540 HG LEU 67 HG LEU 67 -1.211 7.825 5.180 541 HD11 LEU 67 1HD1 LEU 67 -0.121 6.107 3.829 542 HD12 LEU 67 2HD1 LEU 67 -0.170 5.632 5.526 543 HD13 LEU 67 3HD1 LEU 67 1.333 6.230 4.825 544 HD21 LEU 67 3HD2 LEU 67 -0.122 7.348 7.314 545 HD22 LEU 67 1HD2 LEU 67 0.000 9.060 6.909 546 HD23 LEU 67 2HD2 LEU 67 1.396 8.001 6.699 547 H LYS 68 H LYS 68 -2.045 7.126 2.987 548 HA LYS 68 HA LYS 68 -3.811 8.984 1.606 549 HB2 LYS 68 2HB LYS 68 -3.975 6.077 2.309 550 HB3 LYS 68 1HB LYS 68 -5.446 6.952 1.903 551 HG2 LYS 68 2HG LYS 68 -4.483 5.796 -0.039 552 HG3 LYS 68 1HG LYS 68 -4.548 7.545 -0.268 553 HD2 LYS 68 2HD LYS 68 -2.116 7.586 0.503 554 HD3 LYS 68 1HD LYS 68 -2.140 5.830 0.338 555 HE2 LYS 68 2HE LYS 68 -1.220 6.856 -1.661 556 HE3 LYS 68 1HE LYS 68 -2.757 6.073 -2.027 557 HZ1 LYS 68 3HZ LYS 68 -3.852 8.186 -2.019 558 HZ2 LYS 68 1HZ LYS 68 -2.515 8.283 -3.051 559 HZ3 LYS 68 2HZ LYS 68 -2.444 8.981 -1.512 560 H GLU 69 H GLU 69 -4.068 7.113 4.671 561 HA GLU 69 HA GLU 69 -5.124 7.573 6.637 562 HB2 GLU 69 2HB GLU 69 -4.721 10.419 5.685 563 HB3 GLU 69 1HB GLU 69 -5.244 9.988 7.306 564 HG2 GLU 69 2HG GLU 69 -2.638 9.090 6.085 565 HG3 GLU 69 1HG GLU 69 -2.818 10.527 7.089 566 H PHE 70 H PHE 70 -6.764 7.345 4.089 567 HA PHE 70 HA PHE 70 -8.986 9.091 4.248 568 HB2 PHE 70 2HB PHE 70 -8.753 6.354 2.977 569 HB3 PHE 70 1HB PHE 70 -10.117 7.443 2.755 570 HD1 PHE 70 HD1 PHE 70 -8.436 10.017 2.622 571 HD2 PHE 70 HD2 PHE 70 -8.089 6.233 0.691 572 HE1 PHE 70 HE1 PHE 70 -7.302 11.090 0.724 573 HE2 PHE 70 HE2 PHE 70 -6.950 7.306 -1.207 574 HZ PHE 70 HZ PHE 70 -6.556 9.736 -1.194 575 H ASP 71 H ASP 71 -11.265 8.332 4.605 576 HA ASP 71 HA ASP 71 -11.551 7.539 7.294 577 HB2 ASP 71 2HB ASP 71 -13.625 7.796 5.108 578 HB3 ASP 71 1HB ASP 71 -13.994 7.577 6.819 579 H TYR 72 H TYR 72 -12.412 5.731 8.245 580 HA TYR 72 HA TYR 72 -11.755 3.220 7.188 581 HB2 TYR 72 2HB TYR 72 -11.927 3.785 9.607 582 HB3 TYR 72 1HB TYR 72 -13.677 3.853 9.444 583 HD1 TYR 72 HD1 TYR 72 -10.967 1.458 8.457 584 HD2 TYR 72 HD2 TYR 72 -14.753 2.010 10.329 585 HE1 TYR 72 HE1 TYR 72 -11.073 -0.948 8.940 586 HE2 TYR 72 HE2 TYR 72 -14.865 -0.398 10.815 587 HH TYR 72 HH TYR 72 -13.945 -2.479 10.053 588 H ASN 73 H ASN 73 -12.768 1.947 5.786 589 HA ASN 73 HA ASN 73 -14.344 0.902 4.537 590 HB2 ASN 73 2HB ASN 73 -16.288 2.146 6.493 591 HB3 ASN 73 1HB ASN 73 -16.746 0.998 5.239 592 HD21 ASN 73 1HD2 ASN 73 -14.322 -0.593 5.519 593 HD22 ASN 73 2HD2 ASN 73 -14.503 -1.476 6.988 594 H ALA 74 H ALA 74 -13.599 3.923 4.234 595 HA ALA 74 HA ALA 74 -15.766 4.930 2.614 596 HB1 ALA 74 3HB ALA 74 -14.248 6.449 3.811 597 HB2 ALA 74 1HB ALA 74 -14.260 6.768 2.077 598 HB3 ALA 74 2HB ALA 74 -12.910 5.898 2.805 599 H ARG 75 H ARG 75 -15.776 5.166 0.323 600 HA ARG 75 HA ARG 75 -14.669 2.970 -1.118 601 HB2 ARG 75 2HB ARG 75 -16.055 5.474 -2.094 602 HB3 ARG 75 1HB ARG 75 -15.571 4.152 -3.144 603 HG2 ARG 75 2HG ARG 75 -17.048 2.642 -1.817 604 HG3 ARG 75 1HG ARG 75 -17.620 4.062 -0.933 605 HD2 ARG 75 2HD ARG 75 -18.327 5.070 -3.088 606 HD3 ARG 75 1HD ARG 75 -17.829 3.594 -3.914 607 HE ARG 75 HE ARG 75 -19.695 3.018 -1.858 608 HH11 ARG 75 1HH1 ARG 75 -19.433 4.217 -5.077 609 HH12 ARG 75 2HH1 ARG 75 -21.096 3.916 -5.443 610 HH21 ARG 75 1HH2 ARG 75 -21.824 2.612 -2.352 611 HH22 ARG 75 2HH2 ARG 75 -22.427 3.006 -3.927 612 H VAL 76 H VAL 76 -12.710 2.784 -1.988 613 HA VAL 76 HA VAL 76 -11.276 5.215 -2.859 614 HB VAL 76 HB VAL 76 -9.134 4.099 -2.243 615 HG11 VAL 76 1HG1 VAL 76 -10.149 5.750 -0.740 616 HG12 VAL 76 2HG1 VAL 76 -9.288 4.504 0.163 617 HG13 VAL 76 3HG1 VAL 76 -11.047 4.467 0.067 618 HG21 VAL 76 3HG2 VAL 76 -9.162 2.173 -0.729 619 HG22 VAL 76 1HG2 VAL 76 -9.918 1.775 -2.272 620 HG23 VAL 76 2HG2 VAL 76 -10.919 2.090 -0.855 621 H GLU 77 H GLU 77 -10.252 5.108 -4.818 622 HA GLU 77 HA GLU 77 -10.344 2.542 -6.270 623 HB2 GLU 77 2HB GLU 77 -10.796 3.779 -8.344 624 HB3 GLU 77 1HB GLU 77 -12.063 4.021 -7.155 625 HG2 GLU 77 2HG GLU 77 -11.170 6.216 -6.610 626 HG3 GLU 77 1HG GLU 77 -9.843 5.973 -7.746 627 H LEU 78 H LEU 78 -8.703 2.220 -7.873 628 HA LEU 78 HA LEU 78 -6.173 3.427 -7.050 629 HB2 LEU 78 2HB LEU 78 -6.735 1.027 -8.802 630 HB3 LEU 78 1HB LEU 78 -5.141 1.553 -8.288 631 HG LEU 78 HG LEU 78 -7.346 0.556 -6.467 632 HD11 LEU 78 1HD1 LEU 78 -6.373 -1.256 -7.747 633 HD12 LEU 78 2HD1 LEU 78 -5.838 -1.351 -6.071 634 HD13 LEU 78 3HD1 LEU 78 -4.747 -0.731 -7.311 635 HD21 LEU 78 3HD2 LEU 78 -6.030 2.241 -5.342 636 HD22 LEU 78 1HD2 LEU 78 -4.532 1.454 -5.840 637 HD23 LEU 78 2HD2 LEU 78 -5.618 0.650 -4.706 638 H ILE 79 H ILE 79 -4.737 4.434 -8.436 639 HA ILE 79 HA ILE 79 -5.814 5.660 -10.806 640 HB ILE 79 HB ILE 79 -2.996 5.697 -9.696 641 HG12 ILE 79 2HG1 ILE 79 -4.641 6.672 -8.153 642 HG13 ILE 79 1HG1 ILE 79 -3.605 7.927 -8.824 643 HG21 ILE 79 1HG2 ILE 79 -2.656 7.677 -11.119 644 HG22 ILE 79 2HG2 ILE 79 -4.261 7.452 -11.815 645 HG23 ILE 79 3HG2 ILE 79 -3.006 6.240 -12.078 646 HD11 ILE 79 3HD1 ILE 79 -6.416 7.292 -9.709 647 HD12 ILE 79 1HD1 ILE 79 -5.379 8.546 -10.391 648 HD13 ILE 79 2HD1 ILE 79 -5.916 8.659 -8.715 649 H ASN 80 H ASN 80 -2.764 3.785 -10.473 650 HA ASN 80 HA ASN 80 -3.492 2.334 -12.942 651 HB2 ASN 80 2HB ASN 80 -0.701 3.180 -12.115 652 HB3 ASN 80 1HB ASN 80 -1.093 2.192 -13.518 653 HD21 ASN 80 1HD2 ASN 80 -0.937 5.379 -12.240 654 HD22 ASN 80 2HD2 ASN 80 -1.406 6.196 -13.684 655 HA PRO 81 HA PRO 81 -2.815 -0.907 -9.748 656 HB2 PRO 81 2HB PRO 81 -4.979 -2.392 -10.308 657 HB3 PRO 81 1HB PRO 81 -5.095 -0.906 -9.359 658 HG2 PRO 81 2HG PRO 81 -5.742 -1.364 -12.246 659 HG3 PRO 81 1HG PRO 81 -6.620 -0.405 -11.040 660 HD2 PRO 81 2HD PRO 81 -4.872 0.641 -12.920 661 HD3 PRO 81 1HD PRO 81 -5.315 1.440 -11.398 662 H ILE 82 H ILE 82 -1.335 -2.466 -10.220 663 HA ILE 82 HA ILE 82 -1.947 -4.307 -12.434 664 HB ILE 82 HB ILE 82 0.479 -4.558 -12.950 665 HG12 ILE 82 2HG1 ILE 82 0.813 -2.032 -11.301 666 HG13 ILE 82 1HG1 ILE 82 1.362 -3.634 -10.820 667 HG21 ILE 82 1HG2 ILE 82 -0.952 -3.211 -14.386 668 HG22 ILE 82 2HG2 ILE 82 0.675 -2.535 -14.315 669 HG23 ILE 82 3HG2 ILE 82 -0.632 -1.786 -13.396 670 HD11 ILE 82 3HD1 ILE 82 3.195 -2.306 -11.670 671 HD12 ILE 82 1HD1 ILE 82 2.342 -2.067 -13.194 672 HD13 ILE 82 2HD1 ILE 82 2.885 -3.681 -12.730 673 H ALA 83 H ALA 83 -2.077 -6.347 -11.720 674 HA ALA 83 HA ALA 83 -1.262 -7.100 -9.075 675 HB1 ALA 83 3HB ALA 83 -2.040 -9.340 -9.684 676 HB2 ALA 83 1HB ALA 83 -2.176 -8.845 -11.371 677 HB3 ALA 83 2HB ALA 83 -3.219 -8.113 -10.151 678 H ASP 84 H ASP 84 0.487 -8.442 -8.438 679 HA ASP 84 HA ASP 84 2.556 -8.754 -10.529 680 HB2 ASP 84 2HB ASP 84 2.868 -6.948 -8.674 681 HB3 ASP 84 1HB ASP 84 3.275 -8.318 -7.641 682 H THR 85 H THR 85 3.820 -10.573 -10.544 683 HA THR 85 HA THR 85 2.680 -12.909 -9.250 684 HB THR 85 HB THR 85 4.290 -14.203 -10.633 685 HG1 THR 85 HG1 THR 85 6.035 -12.942 -10.978 686 HG21 THR 85 3HG2 THR 85 3.316 -13.655 -12.818 687 HG22 THR 85 1HG2 THR 85 2.738 -12.114 -12.181 688 HG23 THR 85 2HG2 THR 85 2.087 -13.630 -11.553 689 H VAL 86 H VAL 86 4.742 -10.689 -8.117 690 HA VAL 86 HA VAL 86 6.954 -12.013 -7.085 691 HB VAL 86 HB VAL 86 6.621 -9.588 -6.872 692 HG11 VAL 86 1HG1 VAL 86 5.164 -8.645 -5.143 693 HG12 VAL 86 2HG1 VAL 86 4.572 -10.261 -4.754 694 HG13 VAL 86 3HG1 VAL 86 4.240 -9.558 -6.337 695 HG21 VAL 86 3HG2 VAL 86 8.256 -10.690 -5.427 696 HG22 VAL 86 1HG2 VAL 86 7.017 -10.950 -4.200 697 HG23 VAL 86 2HG2 VAL 86 7.524 -9.312 -4.608 698 H ALA 87 H ALA 87 3.616 -12.105 -6.012 699 HA ALA 87 HA ALA 87 4.077 -13.492 -3.563 700 HB1 ALA 87 3HB ALA 87 1.568 -13.362 -5.244 701 HB2 ALA 87 1HB ALA 87 2.024 -12.223 -3.979 702 HB3 ALA 87 2HB ALA 87 1.669 -13.899 -3.567 703 H THR 88 H THR 88 2.823 -14.641 -6.720 704 HA THR 88 HA THR 88 2.631 -17.354 -6.014 705 HB THR 88 HB THR 88 2.504 -17.835 -8.432 706 HG1 THR 88 HG1 THR 88 3.841 -16.479 -9.473 707 HG21 THR 88 3HG2 THR 88 0.961 -15.372 -7.586 708 HG22 THR 88 1HG2 THR 88 0.494 -17.047 -7.291 709 HG23 THR 88 2HG2 THR 88 0.546 -16.425 -8.941 710 H ALA 89 H ALA 89 5.431 -15.512 -6.816 711 HA ALA 89 HA ALA 89 7.124 -17.470 -7.879 712 HB1 ALA 89 3HB ALA 89 7.673 -15.083 -7.820 713 HB2 ALA 89 1HB ALA 89 8.969 -16.064 -7.132 714 HB3 ALA 89 2HB ALA 89 7.876 -15.173 -6.071 715 H THR 90 H THR 90 6.404 -16.699 -4.490 716 HA THR 90 HA THR 90 7.858 -19.136 -3.670 717 HB THR 90 HB THR 90 8.687 -17.198 -2.494 718 HG1 THR 90 HG1 THR 90 8.718 -18.253 -0.654 719 HG21 THR 90 3HG2 THR 90 6.724 -15.734 -2.736 720 HG22 THR 90 1HG2 THR 90 7.276 -15.808 -1.064 721 HG23 THR 90 2HG2 THR 90 5.849 -16.717 -1.561 722 H TYR 91 H TYR 91 4.745 -17.499 -3.504 723 HA TYR 91 HA TYR 91 3.510 -19.447 -1.790 724 HB2 TYR 91 2HB TYR 91 2.412 -17.185 -3.465 725 HB3 TYR 91 1HB TYR 91 1.362 -18.281 -2.576 726 HD1 TYR 91 HD1 TYR 91 4.067 -15.764 -2.171 727 HD2 TYR 91 HD2 TYR 91 0.991 -18.001 -0.256 728 HE1 TYR 91 HE1 TYR 91 4.313 -14.371 -0.163 729 HE2 TYR 91 HE2 TYR 91 1.229 -16.610 1.756 730 HH TYR 91 HH TYR 91 2.778 -15.154 2.829 731 H GLN 92 H GLN 92 3.396 -21.488 -2.538 732 HA GLN 92 HA GLN 92 2.954 -22.216 -5.253 733 HB2 GLN 92 2HB GLN 92 4.132 -23.695 -3.719 734 HB3 GLN 92 1HB GLN 92 2.705 -23.829 -2.701 735 HG2 GLN 92 2HG GLN 92 3.024 -25.824 -4.064 736 HG3 GLN 92 1HG GLN 92 1.521 -25.003 -4.474 737 HE21 GLN 92 1HE2 GLN 92 4.745 -25.764 -5.525 738 HE22 GLN 92 2HE2 GLN 92 4.515 -25.360 -7.189 739 H GLY 93 H GLY 93 1.104 -22.042 -6.354 740 HA2 GLY 93 2HA GLY 93 -1.096 -22.522 -6.908 741 HA3 GLY 93 1HA GLY 93 -1.342 -23.154 -5.290 742 H ALA 94 H ALA 94 -2.505 -21.965 -3.892 743 HA ALA 94 HA ALA 94 -2.776 -19.090 -4.193 744 HB1 ALA 94 3HB ALA 94 -4.431 -19.956 -5.786 745 HB2 ALA 94 1HB ALA 94 -5.201 -19.118 -4.437 746 HB3 ALA 94 2HB ALA 94 -5.190 -20.881 -4.490 747 H ASP 95 H ASP 95 -3.211 -18.086 -2.301 748 HA ASP 95 HA ASP 95 -4.121 -19.721 -0.016 749 HB2 ASP 95 2HB ASP 95 -1.954 -17.612 -0.088 750 HB3 ASP 95 1HB ASP 95 -2.686 -18.178 1.413 751 H VAL 96 H VAL 96 -5.674 -18.102 -1.840 752 HA VAL 96 HA VAL 96 -7.581 -16.894 -1.705 753 HB VAL 96 HB VAL 96 -6.964 -16.555 1.239 754 HG11 VAL 96 1HG1 VAL 96 -8.441 -14.777 0.454 755 HG12 VAL 96 2HG1 VAL 96 -9.335 -15.915 1.457 756 HG13 VAL 96 3HG1 VAL 96 -9.504 -15.967 -0.297 757 HG21 VAL 96 3HG2 VAL 96 -8.645 -18.305 1.572 758 HG22 VAL 96 1HG2 VAL 96 -7.309 -18.892 0.583 759 HG23 VAL 96 2HG2 VAL 96 -8.842 -18.460 -0.174 760 H ASP 97 H ASP 97 -5.197 -15.187 0.421 761 HA ASP 97 HA ASP 97 -5.967 -12.675 -0.830 762 HB2 ASP 97 2HB ASP 97 -4.452 -11.613 0.774 763 HB3 ASP 97 1HB ASP 97 -5.568 -12.705 1.584 764 H TRP 98 H TRP 98 -4.451 -11.233 -1.854 765 HA TRP 98 HA TRP 98 -1.998 -12.374 -2.912 766 HB2 TRP 98 2HB TRP 98 -2.684 -11.966 -5.286 767 HB3 TRP 98 1HB TRP 98 -3.560 -13.271 -4.500 768 HD1 TRP 98 HD1 TRP 98 -5.973 -11.955 -3.184 769 HE1 TRP 98 HE1 TRP 98 -7.760 -10.697 -4.538 770 HE3 TRP 98 HE3 TRP 98 -3.236 -10.897 -7.375 771 HZ2 TRP 98 HZ2 TRP 98 -7.989 -9.432 -7.044 772 HZ3 TRP 98 HZ3 TRP 98 -4.321 -9.668 -9.208 773 HH2 TRP 98 HH2 TRP 98 -6.652 -8.950 -9.044 774 H TYR 99 H TYR 99 -0.880 -10.772 -4.435 775 HA TYR 99 HA TYR 99 -1.099 -8.141 -3.118 776 HB2 TYR 99 2HB TYR 99 1.350 -9.597 -4.136 777 HB3 TYR 99 1HB TYR 99 1.361 -7.945 -3.530 778 HD1 TYR 99 HD1 TYR 99 0.711 -11.471 -2.566 779 HD2 TYR 99 HD2 TYR 99 1.430 -7.502 -1.191 780 HE1 TYR 99 HE1 TYR 99 0.980 -12.316 -0.274 781 HE2 TYR 99 HE2 TYR 99 1.704 -8.344 1.100 782 HH TYR 99 HH TYR 99 2.026 -11.664 1.823 783 H ILE 100 H ILE 100 -1.423 -6.401 -4.272 784 HA ILE 100 HA ILE 100 -0.892 -6.394 -7.180 785 HB ILE 100 HB ILE 100 -3.052 -4.878 -5.683 786 HG12 ILE 100 2HG1 ILE 100 -3.315 -7.198 -7.620 787 HG13 ILE 100 1HG1 ILE 100 -3.544 -7.293 -5.877 788 HG21 ILE 100 1HG2 ILE 100 -2.491 -5.006 -8.651 789 HG22 ILE 100 2HG2 ILE 100 -2.191 -3.623 -7.600 790 HG23 ILE 100 3HG2 ILE 100 -3.843 -4.168 -7.886 791 HD11 ILE 100 3HD1 ILE 100 -5.455 -5.798 -6.033 792 HD12 ILE 100 1HD1 ILE 100 -5.662 -7.208 -7.068 793 HD13 ILE 100 2HD1 ILE 100 -5.216 -5.657 -7.775 794 H LYS 101 H LYS 101 0.547 -4.879 -7.840 795 HA LYS 101 HA LYS 101 1.309 -2.750 -5.969 796 HB2 LYS 101 2HB LYS 101 2.620 -3.787 -8.493 797 HB3 LYS 101 1HB LYS 101 3.203 -2.381 -7.608 798 HG2 LYS 101 2HG LYS 101 3.563 -3.770 -5.624 799 HG3 LYS 101 1HG LYS 101 2.966 -5.179 -6.501 800 HD2 LYS 101 2HD LYS 101 5.402 -5.174 -6.444 801 HD3 LYS 101 1HD LYS 101 4.823 -4.967 -8.096 802 HE2 LYS 101 2HE LYS 101 6.707 -3.476 -7.605 803 HE3 LYS 101 1HE LYS 101 5.239 -2.568 -7.960 804 HZ1 LYS 101 3HZ LYS 101 6.225 -3.132 -5.207 805 HZ2 LYS 101 1HZ LYS 101 4.929 -2.137 -5.637 806 HZ3 LYS 101 2HZ LYS 101 6.502 -1.692 -6.047 807 H ALA 102 H ALA 102 0.838 -0.635 -6.320 808 HA ALA 102 HA ALA 102 -0.492 0.045 -8.871 809 HB1 ALA 102 3HB ALA 102 -2.128 1.375 -7.671 810 HB2 ALA 102 1HB ALA 102 -1.372 0.961 -6.134 811 HB3 ALA 102 2HB ALA 102 -2.156 -0.291 -7.095 812 H ASP 103 H ASP 103 -0.574 2.312 -9.379 813 HA ASP 103 HA ASP 103 1.864 3.729 -8.847 814 HB2 ASP 103 2HB ASP 103 0.798 3.775 -11.046 815 HB3 ASP 103 1HB ASP 103 -0.646 4.507 -10.357 816 H ASP 104 H ASP 104 -1.540 4.124 -7.892 817 HA ASP 104 HA ASP 104 -0.887 5.513 -5.502 818 HB2 ASP 104 2HB ASP 104 -0.494 7.361 -7.079 819 HB3 ASP 104 1HB ASP 104 -2.118 7.166 -7.724 820 H ILE 105 H ILE 105 -2.749 6.026 -4.206 821 HA ILE 105 HA ILE 105 -5.241 4.655 -5.027 822 HB ILE 105 HB ILE 105 -4.196 4.864 -2.190 823 HG12 ILE 105 2HG1 ILE 105 -4.057 2.493 -4.077 824 HG13 ILE 105 1HG1 ILE 105 -2.685 3.447 -3.527 825 HG21 ILE 105 1HG2 ILE 105 -6.436 3.224 -3.384 826 HG22 ILE 105 2HG2 ILE 105 -6.618 4.648 -2.359 827 HG23 ILE 105 3HG2 ILE 105 -5.913 3.173 -1.702 828 HD11 ILE 105 3HD1 ILE 105 -2.802 1.368 -2.318 829 HD12 ILE 105 1HD1 ILE 105 -4.460 1.714 -1.820 830 HD13 ILE 105 2HD1 ILE 105 -3.134 2.713 -1.225 831 H VAL 106 H VAL 106 -6.914 6.068 -5.194 832 HA VAL 106 HA VAL 106 -6.943 8.443 -3.424 833 HB VAL 106 HB VAL 106 -8.045 9.722 -5.207 834 HG11 VAL 106 1HG1 VAL 106 -5.628 9.876 -5.018 835 HG12 VAL 106 2HG1 VAL 106 -6.108 9.972 -6.713 836 HG13 VAL 106 3HG1 VAL 106 -5.430 8.475 -6.071 837 HG21 VAL 106 3HG2 VAL 106 -9.144 7.889 -6.393 838 HG22 VAL 106 1HG2 VAL 106 -7.579 7.280 -6.930 839 HG23 VAL 106 2HG2 VAL 106 -8.160 8.845 -7.502 840 H LEU 107 H LEU 107 -9.192 9.410 -3.208 841 HA LEU 107 HA LEU 107 -11.080 7.386 -2.441 842 HB2 LEU 107 2HB LEU 107 -11.202 10.399 -2.511 843 HB3 LEU 107 1HB LEU 107 -12.585 9.425 -2.046 844 HG LEU 107 HG LEU 107 -9.912 9.390 -0.629 845 HD11 LEU 107 1HD1 LEU 107 -11.026 10.638 1.141 846 HD12 LEU 107 2HD1 LEU 107 -12.501 10.718 0.181 847 HD13 LEU 107 3HD1 LEU 107 -11.046 11.545 -0.370 848 HD21 LEU 107 3HD2 LEU 107 -12.575 8.142 0.075 849 HD22 LEU 107 1HD2 LEU 107 -11.147 8.161 1.111 850 HD23 LEU 107 2HD2 LEU 107 -11.114 7.287 -0.419 851 H THR 108 H THR 108 -12.800 6.600 -3.526 852 HA THR 108 HA THR 108 -13.189 7.046 -6.284 853 HB THR 108 HB THR 108 -15.265 5.949 -4.361 854 HG1 THR 108 HG1 THR 108 -13.186 4.569 -5.754 855 HG21 THR 108 3HG2 THR 108 -16.104 6.446 -6.626 856 HG22 THR 108 1HG2 THR 108 -16.066 4.709 -6.315 857 HG23 THR 108 2HG2 THR 108 -14.817 5.452 -7.314 858 H LEU 109 H LEU 109 -14.617 8.360 -7.413 859 HA LEU 109 HA LEU 109 -15.289 10.808 -6.101 860 HB2 LEU 109 2HB LEU 109 -15.922 9.867 -8.899 861 HB3 LEU 109 1HB LEU 109 -16.070 11.518 -8.323 862 HG LEU 109 HG LEU 109 -13.507 9.939 -8.613 863 HD11 LEU 109 1HD1 LEU 109 -14.526 12.369 -10.081 864 HD12 LEU 109 2HD1 LEU 109 -14.401 10.732 -10.728 865 HD13 LEU 109 3HD1 LEU 109 -12.942 11.622 -10.294 866 HD21 LEU 109 3HD2 LEU 109 -13.919 12.747 -7.581 867 HD22 LEU 109 1HD2 LEU 109 -12.359 12.002 -7.935 868 HD23 LEU 109 2HD2 LEU 109 -13.370 11.358 -6.643 869 H GLU 110 H GLU 110 -16.901 8.125 -5.657 870 HA GLU 110 HA GLU 110 -18.925 7.581 -4.870 871 HB2 GLU 110 2HB GLU 110 -18.663 9.762 -3.673 872 HB3 GLU 110 1HB GLU 110 -19.570 10.532 -4.971 873 HG2 GLU 110 2HG GLU 110 -21.437 8.943 -4.474 874 HG3 GLU 110 1HG GLU 110 -20.540 8.427 -3.053 Start of MODEL 18 1 H1 MET 1 1H MET 1 15.316 -7.279 3.057 2 H2 MET 1 2H MET 1 15.470 -6.767 1.454 3 H3 MET 1 3H MET 1 15.530 -8.414 1.826 4 HA MET 1 HA MET 1 13.239 -8.337 2.607 5 HB2 MET 1 2HB MET 1 13.409 -5.491 1.590 6 HB3 MET 1 1HB MET 1 11.892 -6.310 1.929 7 HG2 MET 1 2HG MET 1 12.568 -6.572 4.274 8 HG3 MET 1 1HG MET 1 14.073 -5.722 3.926 9 HE1 MET 1 3HE MET 1 11.920 -3.172 6.065 10 HE2 MET 1 1HE MET 1 13.419 -4.101 6.003 11 HE3 MET 1 2HE MET 1 11.877 -4.929 6.211 12 H MET 2 H MET 2 13.917 -6.356 -0.307 13 HA MET 2 HA MET 2 13.687 -8.465 -2.157 14 HB2 MET 2 2HB MET 2 11.462 -7.956 -3.129 15 HB3 MET 2 1HB MET 2 11.353 -8.588 -1.492 16 HG2 MET 2 2HG MET 2 11.049 -6.294 -0.649 17 HG3 MET 2 1HG MET 2 11.093 -5.697 -2.307 18 HE1 MET 2 3HE MET 2 7.301 -5.294 -1.361 19 HE2 MET 2 1HE MET 2 8.715 -4.488 -2.042 20 HE3 MET 2 2HE MET 2 8.718 -4.999 -0.355 21 H ARG 3 H ARG 3 14.024 -7.793 -4.291 22 HA ARG 3 HA ARG 3 14.463 -4.897 -4.683 23 HB2 ARG 3 2HB ARG 3 16.504 -6.148 -4.997 24 HB3 ARG 3 1HB ARG 3 15.703 -7.288 -6.071 25 HG2 ARG 3 2HG ARG 3 15.400 -5.538 -7.740 26 HG3 ARG 3 1HG ARG 3 16.141 -4.358 -6.654 27 HD2 ARG 3 2HD ARG 3 17.549 -6.842 -7.639 28 HD3 ARG 3 1HD ARG 3 17.647 -5.278 -8.452 29 HE ARG 3 HE ARG 3 18.443 -4.558 -6.061 30 HH11 ARG 3 1HH1 ARG 3 19.226 -7.471 -7.710 31 HH12 ARG 3 2HH1 ARG 3 20.818 -7.560 -7.053 32 HH21 ARG 3 1HH2 ARG 3 20.495 -4.649 -5.234 33 HH22 ARG 3 2HH2 ARG 3 21.534 -5.971 -5.645 34 H LEU 4 H LEU 4 12.803 -3.954 -5.711 35 HA LEU 4 HA LEU 4 10.963 -5.504 -7.309 36 HB2 LEU 4 2HB LEU 4 11.040 -2.601 -6.503 37 HB3 LEU 4 1HB LEU 4 9.827 -3.233 -7.602 38 HG LEU 4 HG LEU 4 8.855 -3.131 -5.422 39 HD11 LEU 4 1HD1 LEU 4 9.599 -5.989 -6.047 40 HD12 LEU 4 2HD1 LEU 4 8.252 -5.087 -6.741 41 HD13 LEU 4 3HD1 LEU 4 8.263 -5.469 -5.020 42 HD21 LEU 4 3HD2 LEU 4 10.931 -3.073 -4.108 43 HD22 LEU 4 1HD2 LEU 4 11.164 -4.794 -4.415 44 HD23 LEU 4 2HD2 LEU 4 9.778 -4.246 -3.472 45 H ALA 5 H ALA 5 11.084 -5.836 -9.401 46 HA ALA 5 HA ALA 5 12.707 -4.047 -11.092 47 HB1 ALA 5 3HB ALA 5 11.725 -6.855 -11.630 48 HB2 ALA 5 1HB ALA 5 13.346 -6.413 -11.092 49 HB3 ALA 5 2HB ALA 5 12.775 -5.902 -12.682 50 H ASN 6 H ASN 6 11.435 -2.451 -11.906 51 HA ASN 6 HA ASN 6 8.751 -3.191 -12.902 52 HB2 ASN 6 2HB ASN 6 8.059 -0.877 -12.471 53 HB3 ASN 6 1HB ASN 6 8.646 -1.649 -11.003 54 HD21 ASN 6 1HD2 ASN 6 10.576 -0.939 -10.089 55 HD22 ASN 6 2HD2 ASN 6 11.324 0.542 -10.561 56 H GLY 7 H GLY 7 7.929 -1.605 -14.605 57 HA2 GLY 7 2HA GLY 7 9.951 -0.405 -16.317 58 HA3 GLY 7 1HA GLY 7 9.132 -1.806 -16.998 59 H ILE 8 H ILE 8 7.043 -1.600 -17.754 60 HA ILE 8 HA ILE 8 5.901 1.128 -17.730 61 HB ILE 8 HB ILE 8 4.714 0.537 -19.785 62 HG12 ILE 8 2HG1 ILE 8 6.198 -2.107 -19.641 63 HG13 ILE 8 1HG1 ILE 8 4.476 -1.896 -19.344 64 HG21 ILE 8 1HG2 ILE 8 6.939 1.545 -19.943 65 HG22 ILE 8 2HG2 ILE 8 6.630 0.458 -21.297 66 HG23 ILE 8 3HG2 ILE 8 7.668 -0.062 -19.970 67 HD11 ILE 8 3HD1 ILE 8 5.887 -1.357 -21.946 68 HD12 ILE 8 1HD1 ILE 8 4.158 -1.168 -21.645 69 HD13 ILE 8 2HD1 ILE 8 4.900 -2.767 -21.569 70 H VAL 9 H VAL 9 3.452 1.157 -17.973 71 HA VAL 9 HA VAL 9 2.053 -1.188 -16.951 72 HB VAL 9 HB VAL 9 2.529 -0.046 -14.880 73 HG11 VAL 9 1HG1 VAL 9 2.962 2.205 -15.780 74 HG12 VAL 9 2HG1 VAL 9 1.854 2.244 -14.411 75 HG13 VAL 9 3HG1 VAL 9 1.233 2.420 -16.053 76 HG21 VAL 9 3HG2 VAL 9 -0.342 0.456 -15.677 77 HG22 VAL 9 1HG2 VAL 9 0.271 0.324 -14.029 78 HG23 VAL 9 2HG2 VAL 9 0.314 -1.077 -15.102 79 H LEU 10 H LEU 10 0.492 -1.529 -18.377 80 HA LEU 10 HA LEU 10 -0.801 0.777 -19.685 81 HB2 LEU 10 2HB LEU 10 -1.290 -0.906 -21.550 82 HB3 LEU 10 1HB LEU 10 0.352 -0.319 -21.383 83 HG LEU 10 HG LEU 10 0.874 -2.463 -20.121 84 HD11 LEU 10 1HD1 LEU 10 -1.405 -3.110 -19.550 85 HD12 LEU 10 2HD1 LEU 10 -0.593 -4.371 -20.476 86 HD13 LEU 10 3HD1 LEU 10 -1.781 -3.328 -21.260 87 HD21 LEU 10 3HD2 LEU 10 1.559 -2.090 -22.439 88 HD22 LEU 10 1HD2 LEU 10 0.008 -2.712 -23.005 89 HD23 LEU 10 2HD2 LEU 10 1.132 -3.777 -22.162 90 H ASP 11 H ASP 11 -2.973 -0.191 -20.809 91 HA ASP 11 HA ASP 11 -4.784 -0.313 -18.656 92 HB2 ASP 11 2HB ASP 11 -5.344 -0.992 -21.550 93 HB3 ASP 11 1HB ASP 11 -6.512 -0.467 -20.339 94 H LYS 12 H LYS 12 -4.975 -2.045 -17.341 95 HA LYS 12 HA LYS 12 -5.566 -4.639 -18.613 96 HB2 LYS 12 2HB LYS 12 -3.935 -4.263 -16.084 97 HB3 LYS 12 1HB LYS 12 -4.425 -5.809 -16.767 98 HG2 LYS 12 2HG LYS 12 -3.145 -5.078 -18.870 99 HG3 LYS 12 1HG LYS 12 -2.441 -3.825 -17.848 100 HD2 LYS 12 2HD LYS 12 -0.932 -5.693 -17.893 101 HD3 LYS 12 1HD LYS 12 -1.666 -5.620 -16.289 102 HE2 LYS 12 2HE LYS 12 -3.206 -7.401 -16.872 103 HE3 LYS 12 1HE LYS 12 -2.606 -7.420 -18.530 104 HZ1 LYS 12 3HZ LYS 12 -0.446 -8.121 -17.696 105 HZ2 LYS 12 1HZ LYS 12 -1.657 -9.210 -17.239 106 HZ3 LYS 12 2HZ LYS 12 -1.036 -8.117 -16.111 107 H ASP 13 H ASP 13 -6.314 -6.125 -16.485 108 HA ASP 13 HA ASP 13 -8.937 -5.172 -16.015 109 HB2 ASP 13 2HB ASP 13 -7.499 -7.556 -14.828 110 HB3 ASP 13 1HB ASP 13 -9.238 -7.278 -14.773 111 H THR 14 H THR 14 -9.504 -3.746 -14.528 112 HA THR 14 HA THR 14 -8.101 -3.583 -11.961 113 HB THR 14 HB THR 14 -8.549 -1.421 -12.848 114 HG1 THR 14 HG1 THR 14 -9.844 -0.538 -11.197 115 HG21 THR 14 3HG2 THR 14 -10.344 -2.019 -14.430 116 HG22 THR 14 1HG2 THR 14 -10.755 -0.601 -13.467 117 HG23 THR 14 2HG2 THR 14 -11.470 -2.164 -13.080 118 H THR 15 H THR 15 -11.474 -3.985 -13.093 119 HA THR 15 HA THR 15 -13.124 -5.400 -12.458 120 HB THR 15 HB THR 15 -10.986 -6.765 -10.811 121 HG1 THR 15 HG1 THR 15 -12.058 -7.537 -13.335 122 HG21 THR 15 3HG2 THR 15 -13.722 -7.747 -11.661 123 HG22 THR 15 1HG2 THR 15 -13.213 -7.377 -10.011 124 HG23 THR 15 2HG2 THR 15 -12.480 -8.726 -10.879 125 H PHE 16 H PHE 16 -11.216 -4.965 -9.443 126 HA PHE 16 HA PHE 16 -13.270 -5.455 -7.667 127 HB2 PHE 16 2HB PHE 16 -10.960 -3.566 -7.179 128 HB3 PHE 16 1HB PHE 16 -11.877 -4.449 -5.964 129 HD1 PHE 16 HD1 PHE 16 -11.882 -7.082 -6.304 130 HD2 PHE 16 HD2 PHE 16 -8.925 -4.430 -7.846 131 HE1 PHE 16 HE1 PHE 16 -10.284 -8.947 -6.446 132 HE2 PHE 16 HE2 PHE 16 -7.329 -6.297 -7.998 133 HZ PHE 16 HZ PHE 16 -8.007 -8.556 -7.297 134 H GLY 17 H GLY 17 -12.542 -2.402 -9.274 135 HA2 GLY 17 2HA GLY 17 -13.756 -0.450 -9.408 136 HA3 GLY 17 1HA GLY 17 -15.094 -1.308 -8.664 137 H GLU 18 H GLU 18 -15.719 -0.581 -6.715 138 HA GLU 18 HA GLU 18 -14.095 1.387 -5.330 139 HB2 GLU 18 2HB GLU 18 -16.060 1.587 -3.806 140 HB3 GLU 18 1HB GLU 18 -16.452 1.854 -5.498 141 HG2 GLU 18 2HG GLU 18 -17.517 -0.257 -5.685 142 HG3 GLU 18 1HG GLU 18 -16.879 -0.794 -4.132 143 H LEU 19 H LEU 19 -12.471 0.645 -4.088 144 HA LEU 19 HA LEU 19 -12.740 -1.819 -2.552 145 HB2 LEU 19 2HB LEU 19 -10.446 0.124 -2.869 146 HB3 LEU 19 1HB LEU 19 -10.373 -1.323 -1.880 147 HG LEU 19 HG LEU 19 -10.862 -1.317 -4.866 148 HD11 LEU 19 1HD1 LEU 19 -8.346 -1.969 -3.327 149 HD12 LEU 19 2HD1 LEU 19 -8.601 -0.547 -4.340 150 HD13 LEU 19 3HD1 LEU 19 -8.576 -2.153 -5.066 151 HD21 LEU 19 3HD2 LEU 19 -10.448 -3.732 -4.682 152 HD22 LEU 19 1HD2 LEU 19 -11.852 -3.240 -3.733 153 HD23 LEU 19 2HD2 LEU 19 -10.316 -3.575 -2.931 154 H LYS 20 H LYS 20 -12.459 -1.933 -0.264 155 HA LYS 20 HA LYS 20 -13.269 0.519 1.160 156 HB2 LYS 20 2HB LYS 20 -13.561 -2.408 1.810 157 HB3 LYS 20 1HB LYS 20 -13.662 -1.202 3.081 158 HG2 LYS 20 2HG LYS 20 -15.848 -1.149 2.638 159 HG3 LYS 20 1HG LYS 20 -15.419 -0.213 1.210 160 HD2 LYS 20 2HD LYS 20 -15.495 -3.223 1.140 161 HD3 LYS 20 1HD LYS 20 -16.963 -2.271 0.929 162 HE2 LYS 20 2HE LYS 20 -14.474 -1.981 -0.759 163 HE3 LYS 20 1HE LYS 20 -15.881 -2.942 -1.209 164 HZ1 LYS 20 3HZ LYS 20 -17.226 -0.942 -1.174 165 HZ2 LYS 20 1HZ LYS 20 -15.918 -0.745 -2.228 166 HZ3 LYS 20 2HZ LYS 20 -15.899 -0.011 -0.704 167 H PHE 21 H PHE 21 -11.647 1.638 2.009 168 HA PHE 21 HA PHE 21 -9.090 0.475 2.667 169 HB2 PHE 21 2HB PHE 21 -9.171 2.705 1.730 170 HB3 PHE 21 1HB PHE 21 -10.227 3.262 3.022 171 HD1 PHE 21 HD2 PHE 21 -6.791 2.132 2.242 172 HD2 PHE 21 HD1 PHE 21 -9.335 4.033 5.083 173 HE1 PHE 21 HE2 PHE 21 -4.823 2.836 3.535 174 HE2 PHE 21 HE1 PHE 21 -7.368 4.740 6.375 175 HZ PHE 21 HZ PHE 21 -5.108 4.137 5.606 176 H SER 22 H SER 22 -8.782 -0.662 4.530 177 HA SER 22 HA SER 22 -10.322 0.105 6.923 178 HB2 SER 22 2HB SER 22 -9.681 -2.084 7.846 179 HB3 SER 22 1HB SER 22 -10.471 -2.257 6.281 180 HG SER 22 HG SER 22 -7.940 -2.947 7.046 181 H ALA 23 H ALA 23 -6.963 -0.981 6.218 182 HA ALA 23 HA ALA 23 -5.888 1.123 7.888 183 HB1 ALA 23 3HB ALA 23 -5.569 -1.740 8.795 184 HB2 ALA 23 1HB ALA 23 -6.577 -0.519 9.574 185 HB3 ALA 23 2HB ALA 23 -4.825 -0.323 9.537 186 H LEU 24 H LEU 24 -3.451 0.793 8.219 187 HA LEU 24 HA LEU 24 -2.243 0.102 5.649 188 HB2 LEU 24 2HB LEU 24 -1.731 2.279 6.589 189 HB3 LEU 24 1HB LEU 24 -1.188 1.546 8.085 190 HG LEU 24 HG LEU 24 0.692 0.480 6.822 191 HD11 LEU 24 1HD1 LEU 24 1.259 1.319 4.608 192 HD12 LEU 24 2HD1 LEU 24 -0.225 2.273 4.572 193 HD13 LEU 24 3HD1 LEU 24 -0.307 0.511 4.588 194 HD21 LEU 24 3HD2 LEU 24 1.014 2.529 8.101 195 HD22 LEU 24 1HD2 LEU 24 0.543 3.493 6.698 196 HD23 LEU 24 2HD2 LEU 24 2.017 2.523 6.651 197 H ARG 25 H ARG 25 -1.320 -1.843 5.363 198 HA ARG 25 HA ARG 25 -1.157 -3.725 7.502 199 HB2 ARG 25 2HB ARG 25 -1.742 -4.247 5.100 200 HB3 ARG 25 1HB ARG 25 -0.039 -4.050 4.709 201 HG2 ARG 25 2HG ARG 25 -0.614 -6.404 4.979 202 HG3 ARG 25 1HG ARG 25 0.530 -5.890 6.227 203 HD2 ARG 25 2HD ARG 25 -1.265 -5.686 7.837 204 HD3 ARG 25 1HD ARG 25 -2.459 -6.049 6.595 205 HE ARG 25 HE ARG 25 -0.533 -8.143 6.953 206 HH11 ARG 25 1HH1 ARG 25 -3.516 -6.802 8.009 207 HH12 ARG 25 2HH1 ARG 25 -4.024 -8.252 8.809 208 HH21 ARG 25 1HH2 ARG 25 -1.208 -10.041 7.905 209 HH22 ARG 25 2HH2 ARG 25 -2.737 -10.090 8.714 210 H ARG 26 H ARG 26 1.383 -2.320 5.398 211 HA ARG 26 HA ARG 26 3.317 -2.299 7.507 212 HB2 ARG 26 2HB ARG 26 3.640 -4.596 7.229 213 HB3 ARG 26 1HB ARG 26 3.365 -4.531 5.495 214 HG2 ARG 26 2HG ARG 26 5.536 -3.565 5.123 215 HG3 ARG 26 1HG ARG 26 5.807 -3.389 6.857 216 HD2 ARG 26 2HD ARG 26 5.309 -6.083 5.611 217 HD3 ARG 26 1HD ARG 26 6.921 -5.365 5.636 218 HE ARG 26 HE ARG 26 6.416 -5.196 8.172 219 HH11 ARG 26 1HH1 ARG 26 5.484 -7.792 6.102 220 HH12 ARG 26 2HH1 ARG 26 5.556 -8.965 7.369 221 HH21 ARG 26 1HH2 ARG 26 6.541 -6.717 9.777 222 HH22 ARG 26 2HH2 ARG 26 6.194 -8.373 9.416 223 H GLU 27 H GLU 27 5.144 -1.110 7.030 224 HA GLU 27 HA GLU 27 5.305 0.052 4.312 225 HB2 GLU 27 2HB GLU 27 6.318 1.227 6.921 226 HB3 GLU 27 1HB GLU 27 6.374 2.000 5.340 227 HG2 GLU 27 2HG GLU 27 3.944 2.109 5.283 228 HG3 GLU 27 1HG GLU 27 3.852 1.267 6.828 229 H VAL 28 H VAL 28 6.791 -1.285 3.294 230 HA VAL 28 HA VAL 28 9.077 -2.339 4.667 231 HB VAL 28 HB VAL 28 9.846 -3.131 2.449 232 HG11 VAL 28 1HG1 VAL 28 7.958 -4.668 2.024 233 HG12 VAL 28 2HG1 VAL 28 6.942 -3.683 3.080 234 HG13 VAL 28 3HG1 VAL 28 8.346 -4.525 3.738 235 HG21 VAL 28 3HG2 VAL 28 9.074 -1.309 1.042 236 HG22 VAL 28 1HG2 VAL 28 7.393 -1.706 1.403 237 HG23 VAL 28 2HG2 VAL 28 8.389 -2.833 0.481 238 H ARG 29 H ARG 29 10.945 -1.368 5.066 239 HA ARG 29 HA ARG 29 11.386 1.288 3.913 240 HB2 ARG 29 2HB ARG 29 12.561 -0.012 6.375 241 HB3 ARG 29 1HB ARG 29 12.932 1.617 5.827 242 HG2 ARG 29 2HG ARG 29 10.590 2.258 6.126 243 HG3 ARG 29 1HG ARG 29 10.211 0.625 6.676 244 HD2 ARG 29 2HD ARG 29 11.709 0.897 8.578 245 HD3 ARG 29 1HD ARG 29 12.172 2.499 8.004 246 HE ARG 29 HE ARG 29 9.441 2.596 8.297 247 HH11 ARG 29 1HH1 ARG 29 12.107 1.886 10.355 248 HH12 ARG 29 2HH1 ARG 29 11.325 2.503 11.764 249 HH21 ARG 29 1HH2 ARG 29 8.451 3.408 10.104 250 HH22 ARG 29 2HH2 ARG 29 9.281 3.380 11.623 251 H ILE 30 H ILE 30 13.682 1.975 3.646 252 HA ILE 30 HA ILE 30 14.953 0.290 1.741 253 HB ILE 30 HB ILE 30 15.977 2.825 3.044 254 HG12 ILE 30 2HG1 ILE 30 14.534 2.435 0.400 255 HG13 ILE 30 1HG1 ILE 30 13.785 3.061 1.864 256 HG21 ILE 30 1HG2 ILE 30 16.870 1.438 0.508 257 HG22 ILE 30 2HG2 ILE 30 17.786 1.547 2.012 258 HG23 ILE 30 3HG2 ILE 30 17.449 3.004 1.078 259 HD11 ILE 30 3HD1 ILE 30 14.343 4.837 0.311 260 HD12 ILE 30 1HD1 ILE 30 16.039 4.357 0.348 261 HD13 ILE 30 2HD1 ILE 30 15.267 4.990 1.803 262 H GLN 31 H GLN 31 16.114 -1.441 2.244 263 HA GLN 31 HA GLN 31 17.392 -1.720 4.839 264 HB2 GLN 31 2HB GLN 31 16.051 -3.538 3.737 265 HB3 GLN 31 1HB GLN 31 17.318 -3.673 2.528 266 HG2 GLN 31 2HG GLN 31 18.905 -4.378 4.206 267 HG3 GLN 31 1HG GLN 31 17.719 -4.112 5.486 268 HE21 GLN 31 1HE2 GLN 31 17.785 -6.260 6.174 269 HE22 GLN 31 2HE2 GLN 31 17.110 -7.550 5.242 270 H ASN 32 H ASN 32 19.460 -1.220 5.210 271 HA ASN 32 HA ASN 32 21.095 -0.084 3.184 272 HB2 ASN 32 2HB ASN 32 21.772 -0.821 6.037 273 HB3 ASN 32 1HB ASN 32 22.795 0.142 4.977 274 HD21 ASN 32 1HD2 ASN 32 19.984 0.118 6.971 275 HD22 ASN 32 2HD2 ASN 32 19.668 1.812 6.883 276 H GLU 33 H GLU 33 23.531 -0.656 3.148 277 HA GLU 33 HA GLU 33 23.899 -2.997 1.714 278 HB2 GLU 33 2HB GLU 33 26.303 -2.546 1.917 279 HB3 GLU 33 1HB GLU 33 25.405 -1.068 1.603 280 HG2 GLU 33 2HG GLU 33 25.480 -0.633 4.095 281 HG3 GLU 33 1HG GLU 33 26.622 -1.969 4.204 282 H ASP 34 H ASP 34 24.530 -2.430 5.168 283 HA ASP 34 HA ASP 34 25.741 -4.907 5.745 284 HB2 ASP 34 2HB ASP 34 25.889 -3.004 7.260 285 HB3 ASP 34 1HB ASP 34 24.149 -3.043 7.528 286 H GLY 35 H GLY 35 22.414 -4.100 5.212 287 HA2 GLY 35 2HA GLY 35 20.744 -5.847 4.983 288 HA3 GLY 35 1HA GLY 35 21.568 -6.742 6.254 289 H SER 36 H SER 36 21.869 -3.990 7.629 290 HA SER 36 HA SER 36 19.521 -4.096 9.247 291 HB2 SER 36 2HB SER 36 21.689 -1.986 9.095 292 HB3 SER 36 1HB SER 36 20.435 -2.062 10.334 293 HG SER 36 HG SER 36 22.689 -3.687 9.957 294 H VAL 37 H VAL 37 17.734 -2.807 9.261 295 HA VAL 37 HA VAL 37 17.064 -1.562 6.743 296 HB VAL 37 HB VAL 37 15.366 -1.790 9.235 297 HG11 VAL 37 1HG1 VAL 37 13.486 -1.662 7.660 298 HG12 VAL 37 2HG1 VAL 37 14.622 -1.444 6.328 299 HG13 VAL 37 3HG1 VAL 37 14.496 -0.218 7.592 300 HG21 VAL 37 3HG2 VAL 37 16.229 -3.988 8.580 301 HG22 VAL 37 1HG2 VAL 37 15.625 -3.742 6.940 302 HG23 VAL 37 2HG2 VAL 37 14.491 -3.870 8.290 303 H SER 38 H SER 38 16.533 0.612 6.384 304 HA SER 38 HA SER 38 17.520 2.514 8.390 305 HB2 SER 38 2HB SER 38 18.361 2.747 6.082 306 HB3 SER 38 1HB SER 38 16.709 2.989 5.505 307 HG SER 38 HG SER 38 17.789 4.979 5.831 308 H ASP 39 H ASP 39 16.261 4.725 8.301 309 HA ASP 39 HA ASP 39 13.558 4.195 9.187 310 HB2 ASP 39 2HB ASP 39 15.162 6.752 8.971 311 HB3 ASP 39 1HB ASP 39 13.524 6.676 9.612 312 H GLU 40 H GLU 40 15.099 5.539 6.346 313 HA GLU 40 HA GLU 40 12.831 6.726 5.141 314 HB2 GLU 40 2HB GLU 40 15.309 5.544 3.859 315 HB3 GLU 40 1HB GLU 40 14.116 6.516 3.011 316 HG2 GLU 40 2HG GLU 40 15.876 7.984 3.489 317 HG3 GLU 40 1HG GLU 40 14.639 8.356 4.685 318 H ILE 41 H ILE 41 11.289 5.923 3.728 319 HA ILE 41 HA ILE 41 10.945 3.002 3.825 320 HB ILE 41 HB ILE 41 8.873 5.129 3.240 321 HG12 ILE 41 2HG1 ILE 41 9.381 3.578 5.799 322 HG13 ILE 41 1HG1 ILE 41 9.739 5.284 5.552 323 HG21 ILE 41 1HG2 ILE 41 7.238 3.326 3.631 324 HG22 ILE 41 2HG2 ILE 41 8.559 2.172 3.809 325 HG23 ILE 41 3HG2 ILE 41 8.290 2.973 2.261 326 HD11 ILE 41 3HD1 ILE 41 7.366 5.748 5.275 327 HD12 ILE 41 1HD1 ILE 41 7.688 4.962 6.818 328 HD13 ILE 41 2HD1 ILE 41 6.998 4.036 5.488 329 H LYS 42 H LYS 42 10.396 1.792 1.988 330 HA LYS 42 HA LYS 42 11.097 3.011 -0.582 331 HB2 LYS 42 2HB LYS 42 12.099 0.818 0.220 332 HB3 LYS 42 1HB LYS 42 10.516 0.096 -0.025 333 HG2 LYS 42 2HG LYS 42 11.890 -0.384 -1.927 334 HG3 LYS 42 1HG LYS 42 10.629 0.752 -2.418 335 HD2 LYS 42 2HD LYS 42 12.233 2.608 -2.219 336 HD3 LYS 42 1HD LYS 42 13.487 1.469 -1.725 337 HE2 LYS 42 2HE LYS 42 13.767 2.000 -4.059 338 HE3 LYS 42 1HE LYS 42 13.251 0.322 -3.908 339 HZ1 LYS 42 3HZ LYS 42 12.059 1.400 -5.678 340 HZ2 LYS 42 1HZ LYS 42 11.534 2.631 -4.649 341 HZ3 LYS 42 2HZ LYS 42 10.981 1.050 -4.431 342 H GLU 43 H GLU 43 8.522 0.800 0.624 343 HA GLU 43 HA GLU 43 6.506 2.418 -0.689 344 HB2 GLU 43 2HB GLU 43 5.509 0.478 -1.917 345 HB3 GLU 43 1HB GLU 43 7.047 1.032 -2.554 346 HG2 GLU 43 2HG GLU 43 8.169 -0.836 -1.389 347 HG3 GLU 43 1HG GLU 43 6.592 -1.409 -0.845 348 H ARG 44 H ARG 44 4.239 1.470 -0.293 349 HA ARG 44 HA ARG 44 4.130 0.387 2.457 350 HB2 ARG 44 2HB ARG 44 2.582 2.756 1.378 351 HB3 ARG 44 1HB ARG 44 2.363 2.040 2.970 352 HG2 ARG 44 2HG ARG 44 4.600 2.685 3.616 353 HG3 ARG 44 1HG ARG 44 4.924 3.298 1.992 354 HD2 ARG 44 2HD ARG 44 3.198 4.993 2.264 355 HD3 ARG 44 1HD ARG 44 2.799 4.354 3.860 356 HE ARG 44 HE ARG 44 5.167 4.984 4.455 357 HH11 ARG 44 1HH1 ARG 44 3.366 6.670 2.044 358 HH12 ARG 44 2HH1 ARG 44 4.223 8.149 2.281 359 HH21 ARG 44 1HH2 ARG 44 6.283 6.889 4.724 360 HH22 ARG 44 2HH2 ARG 44 5.856 8.266 3.776 361 H THR 45 H THR 45 2.482 -1.003 2.906 362 HA THR 45 HA THR 45 0.658 -1.708 0.687 363 HB THR 45 HB THR 45 1.741 -3.487 2.887 364 HG1 THR 45 HG1 THR 45 2.785 -2.763 0.536 365 HG21 THR 45 3HG2 THR 45 -0.027 -4.166 0.528 366 HG22 THR 45 1HG2 THR 45 -0.515 -4.160 2.225 367 HG23 THR 45 2HG2 THR 45 0.678 -5.325 1.653 368 H TYR 46 H TYR 46 -1.512 -1.664 1.042 369 HA TYR 46 HA TYR 46 -2.488 -1.197 3.796 370 HB2 TYR 46 2HB TYR 46 -3.952 -0.638 1.207 371 HB3 TYR 46 1HB TYR 46 -4.434 -0.144 2.822 372 HD1 TYR 46 HD1 TYR 46 -3.198 1.690 3.973 373 HD2 TYR 46 HD2 TYR 46 -2.395 0.634 -0.077 374 HE1 TYR 46 HE1 TYR 46 -2.107 3.866 3.622 375 HE2 TYR 46 HE2 TYR 46 -1.298 2.800 -0.429 376 HH TYR 46 HH TYR 46 -1.150 4.944 0.449 377 H ASP 47 H ASP 47 -4.442 -2.250 4.495 378 HA ASP 47 HA ASP 47 -5.125 -4.747 3.120 379 HB2 ASP 47 2HB ASP 47 -5.982 -3.570 5.773 380 HB3 ASP 47 1HB ASP 47 -6.721 -5.017 5.104 381 H LEU 48 H LEU 48 -6.501 -4.461 1.404 382 HA LEU 48 HA LEU 48 -8.756 -2.578 1.759 383 HB2 LEU 48 2HB LEU 48 -7.401 -3.420 -0.810 384 HB3 LEU 48 1HB LEU 48 -8.776 -2.334 -0.696 385 HG LEU 48 HG LEU 48 -5.962 -1.815 0.291 386 HD11 LEU 48 1HD1 LEU 48 -7.629 -0.435 -1.811 387 HD12 LEU 48 2HD1 LEU 48 -6.278 -1.527 -2.111 388 HD13 LEU 48 3HD1 LEU 48 -5.998 0.019 -1.311 389 HD21 LEU 48 3HD2 LEU 48 -6.767 0.386 1.007 390 HD22 LEU 48 1HD2 LEU 48 -7.547 -0.915 1.906 391 HD23 LEU 48 2HD2 LEU 48 -8.420 -0.092 0.615 392 H LYS 49 H LYS 49 -10.790 -3.292 1.530 393 HA LYS 49 HA LYS 49 -11.230 -6.129 0.941 394 HB2 LYS 49 2HB LYS 49 -12.677 -4.023 2.450 395 HB3 LYS 49 1HB LYS 49 -13.694 -5.189 1.615 396 HG2 LYS 49 2HG LYS 49 -13.210 -5.766 3.983 397 HG3 LYS 49 1HG LYS 49 -12.740 -7.010 2.826 398 HD2 LYS 49 2HD LYS 49 -11.033 -6.759 4.532 399 HD3 LYS 49 1HD LYS 49 -10.404 -6.251 2.967 400 HE2 LYS 49 2HE LYS 49 -10.778 -3.903 3.590 401 HE3 LYS 49 1HE LYS 49 -11.396 -4.421 5.160 402 HZ1 LYS 49 3HZ LYS 49 -8.673 -5.072 4.184 403 HZ2 LYS 49 1HZ LYS 49 -9.282 -5.282 5.747 404 HZ3 LYS 49 2HZ LYS 49 -9.016 -3.724 5.144 405 H SER 50 H SER 50 -12.141 -6.857 -0.873 406 HA SER 50 HA SER 50 -12.706 -4.925 -2.992 407 HB2 SER 50 2HB SER 50 -12.618 -6.925 -4.487 408 HB3 SER 50 1HB SER 50 -11.148 -6.696 -3.543 409 HG SER 50 HG SER 50 -11.555 -8.464 -2.430 410 H LYS 51 H LYS 51 -14.481 -5.410 -4.550 411 HA LYS 51 HA LYS 51 -16.953 -6.089 -3.127 412 HB2 LYS 51 2HB LYS 51 -16.440 -4.682 -5.755 413 HB3 LYS 51 1HB LYS 51 -18.050 -5.098 -5.184 414 HG2 LYS 51 2HG LYS 51 -16.243 -3.459 -3.445 415 HG3 LYS 51 1HG LYS 51 -17.085 -2.702 -4.794 416 HD2 LYS 51 2HD LYS 51 -18.446 -2.389 -2.863 417 HD3 LYS 51 1HD LYS 51 -19.233 -3.618 -3.849 418 HE2 LYS 51 2HE LYS 51 -18.316 -5.368 -2.400 419 HE3 LYS 51 1HE LYS 51 -17.513 -4.143 -1.418 420 HZ1 LYS 51 3HZ LYS 51 -19.606 -4.907 -0.440 421 HZ2 LYS 51 1HZ LYS 51 -20.451 -4.366 -1.800 422 HZ3 LYS 51 2HZ LYS 51 -19.662 -3.256 -0.801 423 H GLY 52 H GLY 52 -18.674 -6.979 -4.907 424 HA2 GLY 52 2HA GLY 52 -19.389 -8.815 -6.084 425 HA3 GLY 52 1HA GLY 52 -17.793 -8.855 -6.814 426 H GLN 53 H GLN 53 -16.130 -10.086 -5.792 427 HA GLN 53 HA GLN 53 -17.086 -12.527 -4.619 428 HB2 GLN 53 2HB GLN 53 -15.196 -12.432 -6.235 429 HB3 GLN 53 1HB GLN 53 -14.232 -11.590 -5.027 430 HG2 GLN 53 2HG GLN 53 -13.653 -13.952 -5.133 431 HG3 GLN 53 1HG GLN 53 -14.341 -13.536 -3.563 432 HE21 GLN 53 1HE2 GLN 53 -14.967 -15.636 -3.121 433 HE22 GLN 53 2HE2 GLN 53 -16.277 -16.409 -3.939 434 H GLY 54 H GLY 54 -15.481 -9.633 -3.412 435 HA2 GLY 54 2HA GLY 54 -15.428 -8.805 -1.259 436 HA3 GLY 54 1HA GLY 54 -16.425 -10.160 -0.766 437 H ARG 55 H ARG 55 -13.067 -9.869 -2.019 438 HA ARG 55 HA ARG 55 -12.185 -11.453 0.323 439 HB2 ARG 55 2HB ARG 55 -10.820 -11.189 -2.365 440 HB3 ARG 55 1HB ARG 55 -10.236 -12.139 -1.006 441 HG2 ARG 55 2HG ARG 55 -12.476 -13.394 -1.184 442 HG3 ARG 55 1HG ARG 55 -12.600 -12.646 -2.780 443 HD2 ARG 55 2HD ARG 55 -10.450 -14.507 -1.771 444 HD3 ARG 55 1HD ARG 55 -11.614 -14.808 -3.059 445 HE ARG 55 HE ARG 55 -10.371 -12.824 -4.169 446 HH11 ARG 55 1HH1 ARG 55 -8.937 -15.242 -2.182 447 HH12 ARG 55 2HH1 ARG 55 -7.423 -15.186 -3.015 448 HH21 ARG 55 1HH2 ARG 55 -8.398 -12.756 -5.224 449 HH22 ARG 55 2HH2 ARG 55 -7.121 -13.807 -4.709 450 H MET 56 H MET 56 -10.065 -11.006 1.185 451 HA MET 56 HA MET 56 -9.491 -8.164 1.365 452 HB2 MET 56 2HB MET 56 -8.199 -10.521 2.770 453 HB3 MET 56 1HB MET 56 -7.961 -8.826 3.172 454 HG2 MET 56 2HG MET 56 -9.485 -9.860 4.736 455 HG3 MET 56 1HG MET 56 -10.329 -8.643 3.780 456 HE1 MET 56 3HE MET 56 -13.158 -11.257 4.349 457 HE2 MET 56 1HE MET 56 -12.711 -9.552 4.418 458 HE3 MET 56 2HE MET 56 -11.926 -10.715 5.488 459 H ILE 57 H ILE 57 -7.921 -7.164 0.221 460 HA ILE 57 HA ILE 57 -5.746 -8.797 -0.946 461 HB ILE 57 HB ILE 57 -5.746 -7.262 -2.910 462 HG12 ILE 57 2HG1 ILE 57 -8.349 -6.253 -1.717 463 HG13 ILE 57 1HG1 ILE 57 -6.857 -5.332 -1.865 464 HG21 ILE 57 1HG2 ILE 57 -6.845 -9.438 -3.032 465 HG22 ILE 57 2HG2 ILE 57 -7.695 -8.248 -4.016 466 HG23 ILE 57 3HG2 ILE 57 -8.348 -8.725 -2.448 467 HD11 ILE 57 3HD1 ILE 57 -7.025 -5.440 -4.293 468 HD12 ILE 57 1HD1 ILE 57 -8.462 -4.715 -3.576 469 HD13 ILE 57 2HD1 ILE 57 -8.509 -6.381 -4.151 470 H GLN 58 H GLN 58 -3.687 -7.974 -0.873 471 HA GLN 58 HA GLN 58 -3.295 -5.537 0.713 472 HB2 GLN 58 2HB GLN 58 -1.513 -7.851 -0.018 473 HB3 GLN 58 1HB GLN 58 -0.829 -6.353 0.590 474 HG2 GLN 58 2HG GLN 58 -1.058 -7.882 2.408 475 HG3 GLN 58 1HG GLN 58 -2.223 -6.576 2.618 476 HE21 GLN 58 1HE2 GLN 58 -3.602 -7.723 3.905 477 HE22 GLN 58 2HE2 GLN 58 -4.535 -9.061 3.337 478 H VAL 59 H VAL 59 -3.300 -3.729 -0.479 479 HA VAL 59 HA VAL 59 -2.011 -3.727 -3.130 480 HB VAL 59 HB VAL 59 -3.850 -1.677 -1.869 481 HG11 VAL 59 1HG1 VAL 59 -3.903 -0.609 -4.070 482 HG12 VAL 59 2HG1 VAL 59 -2.735 -1.782 -4.681 483 HG13 VAL 59 3HG1 VAL 59 -2.259 -0.634 -3.428 484 HG21 VAL 59 3HG2 VAL 59 -4.987 -3.764 -2.428 485 HG22 VAL 59 1HG2 VAL 59 -4.342 -3.695 -4.069 486 HG23 VAL 59 2HG2 VAL 59 -5.489 -2.472 -3.519 487 H SER 60 H SER 60 -0.129 -2.673 -3.504 488 HA SER 60 HA SER 60 0.991 -1.087 -1.268 489 HB2 SER 60 2HB SER 60 2.081 -3.307 -1.542 490 HB3 SER 60 1HB SER 60 2.543 -2.853 -3.181 491 HG SER 60 HG SER 60 4.270 -2.183 -2.137 492 H ILE 61 H ILE 61 1.981 0.821 -1.694 493 HA ILE 61 HA ILE 61 2.403 1.642 -4.499 494 HB ILE 61 HB ILE 61 1.574 3.915 -3.972 495 HG12 ILE 61 2HG1 ILE 61 0.559 2.690 -1.388 496 HG13 ILE 61 1HG1 ILE 61 1.942 3.774 -1.501 497 HG21 ILE 61 1HG2 ILE 61 -0.475 1.745 -3.489 498 HG22 ILE 61 2HG2 ILE 61 0.087 2.313 -5.061 499 HG23 ILE 61 3HG2 ILE 61 -0.816 3.399 -4.005 500 HD11 ILE 61 3HD1 ILE 61 0.476 5.543 -2.335 501 HD12 ILE 61 1HD1 ILE 61 -0.034 4.948 -0.754 502 HD13 ILE 61 2HD1 ILE 61 -0.902 4.448 -2.205 503 HA PRO 62 HA PRO 62 6.433 2.964 -3.184 504 HB2 PRO 62 2HB PRO 62 6.030 5.391 -4.866 505 HB3 PRO 62 1HB PRO 62 7.316 4.178 -4.923 506 HG2 PRO 62 2HG PRO 62 5.415 4.211 -6.787 507 HG3 PRO 62 1HG PRO 62 6.026 2.672 -6.145 508 HD2 PRO 62 2HD PRO 62 3.476 4.118 -5.498 509 HD3 PRO 62 1HD PRO 62 3.753 2.380 -5.741 510 H ALA 63 H ALA 63 7.389 4.271 -1.642 511 HA ALA 63 HA ALA 63 5.717 5.827 0.046 512 HB1 ALA 63 3HB ALA 63 7.666 4.562 0.850 513 HB2 ALA 63 1HB ALA 63 7.713 6.252 1.348 514 HB3 ALA 63 2HB ALA 63 8.730 5.697 0.017 515 H SER 64 H SER 64 7.188 6.644 -2.854 516 HA SER 64 HA SER 64 7.618 9.440 -2.418 517 HB2 SER 64 2HB SER 64 7.602 9.556 -4.924 518 HB3 SER 64 1HB SER 64 8.716 8.345 -4.293 519 HG SER 64 HG SER 64 6.714 7.988 -6.005 520 H VAL 65 H VAL 65 4.864 7.458 -2.950 521 HA VAL 65 HA VAL 65 3.120 9.649 -3.754 522 HB VAL 65 HB VAL 65 2.443 6.759 -3.124 523 HG11 VAL 65 1HG1 VAL 65 0.814 8.893 -4.511 524 HG12 VAL 65 2HG1 VAL 65 0.513 8.240 -2.901 525 HG13 VAL 65 3HG1 VAL 65 0.350 7.202 -4.317 526 HG21 VAL 65 3HG2 VAL 65 2.350 6.449 -5.565 527 HG22 VAL 65 1HG2 VAL 65 3.968 6.901 -5.021 528 HG23 VAL 65 2HG2 VAL 65 2.928 8.101 -5.788 529 HA PRO 66 HA PRO 66 2.321 10.945 0.470 530 HB2 PRO 66 2HB PRO 66 -0.290 11.720 -0.781 531 HB3 PRO 66 1HB PRO 66 0.781 12.665 0.263 532 HG2 PRO 66 2HG PRO 66 0.741 13.111 -2.357 533 HG3 PRO 66 1HG PRO 66 2.276 13.123 -1.466 534 HD2 PRO 66 2HD PRO 66 1.153 11.030 -3.284 535 HD3 PRO 66 1HD PRO 66 2.838 11.540 -3.050 536 H LEU 67 H LEU 67 1.691 9.689 2.100 537 HA LEU 67 HA LEU 67 0.184 7.357 1.884 538 HB2 LEU 67 2HB LEU 67 1.803 7.937 3.694 539 HB3 LEU 67 1HB LEU 67 0.607 9.024 4.371 540 HG LEU 67 HG LEU 67 -0.880 7.135 4.833 541 HD11 LEU 67 1HD1 LEU 67 1.332 5.407 3.735 542 HD12 LEU 67 2HD1 LEU 67 -0.238 5.679 2.983 543 HD13 LEU 67 3HD1 LEU 67 -0.136 4.835 4.527 544 HD21 LEU 67 3HD2 LEU 67 0.734 7.812 6.539 545 HD22 LEU 67 1HD2 LEU 67 1.923 6.696 5.866 546 HD23 LEU 67 2HD2 LEU 67 0.442 6.075 6.594 547 H LYS 68 H LYS 68 -1.954 6.910 1.904 548 HA LYS 68 HA LYS 68 -3.736 9.067 1.379 549 HB2 LYS 68 2HB LYS 68 -4.051 6.081 1.489 550 HB3 LYS 68 1HB LYS 68 -5.457 7.120 1.300 551 HG2 LYS 68 2HG LYS 68 -4.651 6.300 -0.856 552 HG3 LYS 68 1HG LYS 68 -4.524 8.055 -0.749 553 HD2 LYS 68 2HD LYS 68 -2.123 7.827 -0.214 554 HD3 LYS 68 1HD LYS 68 -2.266 6.077 -0.374 555 HE2 LYS 68 2HE LYS 68 -1.329 7.072 -2.398 556 HE3 LYS 68 1HE LYS 68 -2.895 6.332 -2.722 557 HZ1 LYS 68 3HZ LYS 68 -3.921 8.466 -2.757 558 HZ2 LYS 68 1HZ LYS 68 -2.573 8.531 -3.774 559 HZ3 LYS 68 2HZ LYS 68 -2.503 9.235 -2.239 560 H GLU 69 H GLU 69 -4.096 6.495 3.868 561 HA GLU 69 HA GLU 69 -5.065 6.497 5.931 562 HB2 GLU 69 2HB GLU 69 -4.117 9.373 5.876 563 HB3 GLU 69 1HB GLU 69 -4.660 8.528 7.321 564 HG2 GLU 69 2HG GLU 69 -2.830 7.015 7.233 565 HG3 GLU 69 1HG GLU 69 -2.372 7.569 5.626 566 H PHE 70 H PHE 70 -6.981 6.769 3.949 567 HA PHE 70 HA PHE 70 -8.805 8.910 4.539 568 HB2 PHE 70 2HB PHE 70 -9.169 6.351 2.966 569 HB3 PHE 70 1HB PHE 70 -10.395 7.605 3.096 570 HD1 PHE 70 HD2 PHE 70 -9.188 10.082 2.674 571 HD2 PHE 70 HD1 PHE 70 -8.111 6.350 0.923 572 HE1 PHE 70 HE2 PHE 70 -8.197 11.269 0.763 573 HE2 PHE 70 HE1 PHE 70 -7.115 7.534 -0.991 574 HZ PHE 70 HZ PHE 70 -7.163 9.992 -1.076 575 H ASP 71 H ASP 71 -11.292 7.765 4.709 576 HA ASP 71 HA ASP 71 -11.420 7.061 7.485 577 HB2 ASP 71 2HB ASP 71 -13.487 7.413 5.326 578 HB3 ASP 71 1HB ASP 71 -13.928 6.818 6.925 579 H TYR 72 H TYR 72 -12.787 5.227 8.273 580 HA TYR 72 HA TYR 72 -11.650 2.766 7.390 581 HB2 TYR 72 2HB TYR 72 -12.349 3.439 9.772 582 HB3 TYR 72 1HB TYR 72 -13.989 3.030 9.286 583 HD1 TYR 72 HD2 TYR 72 -10.598 1.682 9.836 584 HD2 TYR 72 HD1 TYR 72 -14.688 0.731 9.122 585 HE1 TYR 72 HE2 TYR 72 -10.140 -0.672 10.370 586 HE2 TYR 72 HE1 TYR 72 -14.235 -1.623 9.664 587 HH TYR 72 HH TYR 72 -12.247 -3.172 9.642 588 H ASN 73 H ASN 73 -12.393 1.353 5.934 589 HA ASN 73 HA ASN 73 -13.606 0.435 4.259 590 HB2 ASN 73 2HB ASN 73 -15.906 1.114 6.110 591 HB3 ASN 73 1HB ASN 73 -16.058 0.109 4.670 592 HD21 ASN 73 1HD2 ASN 73 -16.521 -0.568 7.462 593 HD22 ASN 73 2HD2 ASN 73 -15.477 -1.901 7.804 594 H ALA 74 H ALA 74 -12.969 3.281 4.090 595 HA ALA 74 HA ALA 74 -15.188 4.560 2.762 596 HB1 ALA 74 3HB ALA 74 -12.277 5.359 2.814 597 HB2 ALA 74 1HB ALA 74 -13.494 5.852 3.993 598 HB3 ALA 74 2HB ALA 74 -13.634 6.369 2.313 599 H ARG 75 H ARG 75 -15.321 5.097 0.536 600 HA ARG 75 HA ARG 75 -14.540 3.038 -1.261 601 HB2 ARG 75 2HB ARG 75 -15.746 5.766 -1.747 602 HB3 ARG 75 1HB ARG 75 -15.462 4.592 -3.026 603 HG2 ARG 75 2HG ARG 75 -16.953 3.009 -1.870 604 HG3 ARG 75 1HG ARG 75 -17.274 4.239 -0.647 605 HD2 ARG 75 2HD ARG 75 -18.263 5.694 -2.308 606 HD3 ARG 75 1HD ARG 75 -17.824 4.574 -3.601 607 HE ARG 75 HE ARG 75 -19.413 3.218 -1.738 608 HH11 ARG 75 1HH1 ARG 75 -19.701 5.744 -4.065 609 HH12 ARG 75 2HH1 ARG 75 -21.372 5.412 -4.366 610 HH21 ARG 75 1HH2 ARG 75 -21.561 2.807 -2.157 611 HH22 ARG 75 2HH2 ARG 75 -22.392 3.761 -3.332 612 H VAL 76 H VAL 76 -12.428 2.770 -1.723 613 HA VAL 76 HA VAL 76 -11.016 5.060 -2.950 614 HB VAL 76 HB VAL 76 -8.875 4.053 -2.263 615 HG11 VAL 76 1HG1 VAL 76 -9.865 5.767 -0.851 616 HG12 VAL 76 2HG1 VAL 76 -9.010 4.579 0.133 617 HG13 VAL 76 3HG1 VAL 76 -10.771 4.540 0.037 618 HG21 VAL 76 3HG2 VAL 76 -8.813 2.231 -0.616 619 HG22 VAL 76 1HG2 VAL 76 -9.554 1.707 -2.128 620 HG23 VAL 76 2HG2 VAL 76 -10.565 2.069 -0.728 621 H GLU 77 H GLU 77 -10.021 4.710 -4.928 622 HA GLU 77 HA GLU 77 -10.107 1.970 -6.011 623 HB2 GLU 77 2HB GLU 77 -10.738 2.831 -8.207 624 HB3 GLU 77 1HB GLU 77 -11.946 3.236 -6.999 625 HG2 GLU 77 2HG GLU 77 -11.208 5.511 -6.917 626 HG3 GLU 77 1HG GLU 77 -9.818 5.149 -7.939 627 H LEU 78 H LEU 78 -8.685 1.716 -7.969 628 HA LEU 78 HA LEU 78 -6.088 2.938 -7.330 629 HB2 LEU 78 2HB LEU 78 -6.740 0.389 -8.822 630 HB3 LEU 78 1HB LEU 78 -5.121 0.973 -8.478 631 HG LEU 78 HG LEU 78 -7.169 0.114 -6.423 632 HD11 LEU 78 1HD1 LEU 78 -5.620 -1.733 -5.977 633 HD12 LEU 78 2HD1 LEU 78 -4.601 -1.201 -7.317 634 HD13 LEU 78 3HD1 LEU 78 -6.239 -1.781 -7.627 635 HD21 LEU 78 3HD2 LEU 78 -5.809 1.917 -5.560 636 HD22 LEU 78 1HD2 LEU 78 -4.336 1.095 -6.075 637 HD23 LEU 78 2HD2 LEU 78 -5.341 0.396 -4.803 638 H ILE 79 H ILE 79 -4.916 4.057 -8.789 639 HA ILE 79 HA ILE 79 -6.144 5.006 -11.181 640 HB ILE 79 HB ILE 79 -3.293 5.305 -10.209 641 HG12 ILE 79 2HG1 ILE 79 -4.915 6.253 -8.651 642 HG13 ILE 79 1HG1 ILE 79 -4.040 7.545 -9.464 643 HG21 ILE 79 1HG2 ILE 79 -4.759 6.842 -12.362 644 HG22 ILE 79 2HG2 ILE 79 -3.431 5.710 -12.613 645 HG23 ILE 79 3HG2 ILE 79 -3.149 7.220 -11.746 646 HD11 ILE 79 3HD1 ILE 79 -6.826 6.604 -10.123 647 HD12 ILE 79 1HD1 ILE 79 -5.953 7.894 -10.951 648 HD13 ILE 79 2HD1 ILE 79 -6.395 8.077 -9.254 649 H ASN 80 H ASN 80 -2.852 3.584 -11.098 650 HA ASN 80 HA ASN 80 -3.637 1.815 -13.336 651 HB2 ASN 80 2HB ASN 80 -0.892 3.040 -12.900 652 HB3 ASN 80 1HB ASN 80 -1.347 1.957 -14.207 653 HD21 ASN 80 1HD2 ASN 80 -1.353 5.190 -13.072 654 HD22 ASN 80 2HD2 ASN 80 -2.090 5.897 -14.462 655 HA PRO 81 HA PRO 81 -2.206 -0.922 -9.907 656 HB2 PRO 81 2HB PRO 81 -4.207 -2.690 -9.988 657 HB3 PRO 81 1HB PRO 81 -4.428 -1.090 -9.270 658 HG2 PRO 81 2HG PRO 81 -5.233 -2.068 -11.989 659 HG3 PRO 81 1HG PRO 81 -6.159 -1.085 -10.839 660 HD2 PRO 81 2HD PRO 81 -4.759 -0.053 -12.984 661 HD3 PRO 81 1HD PRO 81 -5.151 0.862 -11.516 662 H ILE 82 H ILE 82 -1.000 -2.791 -10.002 663 HA ILE 82 HA ILE 82 -1.412 -4.615 -12.286 664 HB ILE 82 HB ILE 82 0.959 -5.230 -12.278 665 HG12 ILE 82 2HG1 ILE 82 1.331 -2.972 -10.287 666 HG13 ILE 82 1HG1 ILE 82 1.446 -4.686 -9.906 667 HG21 ILE 82 1HG2 ILE 82 0.228 -3.503 -13.825 668 HG22 ILE 82 2HG2 ILE 82 1.874 -3.176 -13.277 669 HG23 ILE 82 3HG2 ILE 82 0.523 -2.258 -12.609 670 HD11 ILE 82 3HD1 ILE 82 3.638 -3.679 -10.140 671 HD12 ILE 82 1HD1 ILE 82 3.250 -3.168 -11.782 672 HD13 ILE 82 2HD1 ILE 82 3.369 -4.886 -11.396 673 H ALA 83 H ALA 83 -1.468 -6.785 -11.803 674 HA ALA 83 HA ALA 83 -1.949 -7.411 -8.991 675 HB1 ALA 83 3HB ALA 83 -2.484 -9.041 -11.476 676 HB2 ALA 83 1HB ALA 83 -3.654 -8.033 -10.624 677 HB3 ALA 83 2HB ALA 83 -2.985 -9.464 -9.840 678 H ASP 84 H ASP 84 -0.119 -7.939 -7.897 679 HA ASP 84 HA ASP 84 2.047 -9.406 -9.127 680 HB2 ASP 84 2HB ASP 84 1.622 -8.545 -6.253 681 HB3 ASP 84 1HB ASP 84 3.127 -9.174 -6.923 682 H THR 85 H THR 85 -0.089 -11.045 -9.360 683 HA THR 85 HA THR 85 -0.637 -12.825 -7.256 684 HB THR 85 HB THR 85 -1.448 -14.399 -8.949 685 HG1 THR 85 HG1 THR 85 -0.282 -12.614 -10.859 686 HG21 THR 85 3HG2 THR 85 -3.060 -12.928 -10.112 687 HG22 THR 85 1HG2 THR 85 -2.124 -11.523 -9.603 688 HG23 THR 85 2HG2 THR 85 -2.916 -12.541 -8.399 689 H VAL 86 H VAL 86 1.814 -12.989 -9.820 690 HA VAL 86 HA VAL 86 2.799 -15.554 -9.298 691 HB VAL 86 HB VAL 86 4.843 -14.863 -10.483 692 HG11 VAL 86 1HG1 VAL 86 2.847 -15.495 -11.761 693 HG12 VAL 86 2HG1 VAL 86 3.794 -14.274 -12.608 694 HG13 VAL 86 3HG1 VAL 86 2.316 -13.811 -11.765 695 HG21 VAL 86 3HG2 VAL 86 5.059 -12.603 -9.529 696 HG22 VAL 86 1HG2 VAL 86 3.645 -12.085 -10.448 697 HG23 VAL 86 2HG2 VAL 86 5.116 -12.573 -11.291 698 H ALA 87 H ALA 87 3.200 -12.693 -7.416 699 HA ALA 87 HA ALA 87 5.723 -13.075 -6.266 700 HB1 ALA 87 3HB ALA 87 3.268 -11.909 -4.950 701 HB2 ALA 87 1HB ALA 87 4.390 -11.032 -5.990 702 HB3 ALA 87 2HB ALA 87 4.940 -11.670 -4.440 703 H THR 88 H THR 88 2.567 -14.390 -5.282 704 HA THR 88 HA THR 88 3.433 -15.649 -2.902 705 HB THR 88 HB THR 88 1.379 -16.999 -3.045 706 HG1 THR 88 HG1 THR 88 0.052 -16.813 -4.895 707 HG21 THR 88 3HG2 THR 88 -0.260 -15.164 -3.119 708 HG22 THR 88 1HG2 THR 88 0.950 -14.113 -3.860 709 HG23 THR 88 2HG2 THR 88 1.181 -14.705 -2.214 710 H ALA 89 H ALA 89 2.718 -17.118 -6.078 711 HA ALA 89 HA ALA 89 3.606 -19.689 -5.527 712 HB1 ALA 89 3HB ALA 89 3.669 -18.270 -8.192 713 HB2 ALA 89 1HB ALA 89 2.274 -19.090 -7.492 714 HB3 ALA 89 2HB ALA 89 3.704 -20.016 -7.944 715 H THR 90 H THR 90 5.485 -16.898 -6.601 716 HA THR 90 HA THR 90 7.865 -18.406 -7.168 717 HB THR 90 HB THR 90 7.551 -15.419 -6.768 718 HG1 THR 90 HG1 THR 90 6.528 -15.670 -8.620 719 HG21 THR 90 3HG2 THR 90 9.881 -16.124 -6.493 720 HG22 THR 90 1HG2 THR 90 9.675 -15.248 -8.009 721 HG23 THR 90 2HG2 THR 90 9.806 -17.006 -8.019 722 H TYR 91 H TYR 91 6.972 -16.171 -4.510 723 HA TYR 91 HA TYR 91 9.540 -16.674 -3.221 724 HB2 TYR 91 2HB TYR 91 7.278 -14.781 -2.561 725 HB3 TYR 91 1HB TYR 91 8.735 -14.930 -1.584 726 HD1 TYR 91 HD1 TYR 91 10.911 -14.178 -2.471 727 HD2 TYR 91 HD2 TYR 91 7.318 -13.617 -4.689 728 HE1 TYR 91 HE1 TYR 91 12.055 -12.536 -3.898 729 HE2 TYR 91 HE2 TYR 91 8.453 -11.974 -6.120 730 HH TYR 91 HH TYR 91 11.801 -11.592 -6.195 731 H GLN 92 H GLN 92 6.160 -17.520 -2.695 732 HA GLN 92 HA GLN 92 6.977 -19.088 -0.338 733 HB2 GLN 92 2HB GLN 92 6.001 -16.971 0.460 734 HB3 GLN 92 1HB GLN 92 4.538 -17.297 -0.457 735 HG2 GLN 92 2HG GLN 92 4.094 -17.825 1.810 736 HG3 GLN 92 1HG GLN 92 4.206 -19.346 0.931 737 HE21 GLN 92 1HE2 GLN 92 4.521 -18.827 3.771 738 HE22 GLN 92 2HE2 GLN 92 6.102 -19.377 4.196 739 H GLY 93 H GLY 93 6.891 -20.763 -2.048 740 HA2 GLY 93 2HA GLY 93 5.904 -22.557 -3.108 741 HA3 GLY 93 1HA GLY 93 4.915 -22.599 -1.661 742 H ALA 94 H ALA 94 2.829 -21.783 -1.716 743 HA ALA 94 HA ALA 94 1.758 -20.397 -3.994 744 HB1 ALA 94 3HB ALA 94 0.088 -22.067 -4.618 745 HB2 ALA 94 1HB ALA 94 0.775 -23.207 -3.457 746 HB3 ALA 94 2HB ALA 94 1.718 -22.694 -4.856 747 H ASP 95 H ASP 95 1.363 -18.910 -2.248 748 HA ASP 95 HA ASP 95 -0.392 -19.770 -0.086 749 HB2 ASP 95 2HB ASP 95 1.749 -18.301 0.119 750 HB3 ASP 95 1HB ASP 95 0.693 -16.983 -0.383 751 H VAL 96 H VAL 96 -2.114 -18.112 0.636 752 HA VAL 96 HA VAL 96 -3.913 -17.904 -1.653 753 HB VAL 96 HB VAL 96 -5.723 -17.674 0.005 754 HG11 VAL 96 1HG1 VAL 96 -5.082 -19.888 -0.781 755 HG12 VAL 96 2HG1 VAL 96 -5.583 -19.957 0.908 756 HG13 VAL 96 3HG1 VAL 96 -3.868 -20.010 0.494 757 HG21 VAL 96 3HG2 VAL 96 -5.297 -17.938 2.380 758 HG22 VAL 96 1HG2 VAL 96 -4.419 -16.534 1.770 759 HG23 VAL 96 2HG2 VAL 96 -3.561 -18.043 2.088 760 H ASP 97 H ASP 97 -2.631 -15.750 0.910 761 HA ASP 97 HA ASP 97 -4.101 -13.512 -0.233 762 HB2 ASP 97 2HB ASP 97 -2.684 -12.204 1.558 763 HB3 ASP 97 1HB ASP 97 -4.062 -13.182 2.040 764 H TRP 98 H TRP 98 -3.207 -11.731 -1.270 765 HA TRP 98 HA TRP 98 -0.496 -12.070 -2.336 766 HB2 TRP 98 2HB TRP 98 -1.376 -11.788 -4.661 767 HB3 TRP 98 1HB TRP 98 -1.858 -13.299 -3.897 768 HD1 TRP 98 HD1 TRP 98 -4.464 -12.841 -2.515 769 HE1 TRP 98 HE1 TRP 98 -6.576 -11.953 -3.686 770 HE3 TRP 98 HE3 TRP 98 -2.268 -10.584 -6.542 771 HZ2 TRP 98 HZ2 TRP 98 -7.228 -10.496 -6.011 772 HZ3 TRP 98 HZ3 TRP 98 -3.708 -9.473 -8.198 773 HH2 TRP 98 HH2 TRP 98 -6.139 -9.430 -7.940 774 H TYR 99 H TYR 99 0.143 -10.226 -3.771 775 HA TYR 99 HA TYR 99 -0.795 -7.709 -2.568 776 HB2 TYR 99 2HB TYR 99 1.861 -8.446 -3.817 777 HB3 TYR 99 1HB TYR 99 1.433 -6.805 -3.353 778 HD1 TYR 99 HD1 TYR 99 2.020 -10.223 -2.026 779 HD2 TYR 99 HD2 TYR 99 1.629 -6.080 -1.099 780 HE1 TYR 99 HE1 TYR 99 2.836 -10.658 0.251 781 HE2 TYR 99 HE2 TYR 99 2.448 -6.510 1.179 782 HH TYR 99 HH TYR 99 2.525 -8.477 2.765 783 H ILE 100 H ILE 100 -1.021 -5.841 -3.823 784 HA ILE 100 HA ILE 100 -1.044 -6.114 -6.760 785 HB ILE 100 HB ILE 100 -3.216 -4.756 -5.130 786 HG12 ILE 100 2HG1 ILE 100 -3.362 -7.260 -6.835 787 HG13 ILE 100 1HG1 ILE 100 -3.380 -7.225 -5.074 788 HG21 ILE 100 1HG2 ILE 100 -2.743 -3.588 -7.231 789 HG22 ILE 100 2HG2 ILE 100 -4.330 -4.356 -7.271 790 HG23 ILE 100 3HG2 ILE 100 -2.973 -5.093 -8.124 791 HD11 ILE 100 3HD1 ILE 100 -5.467 -6.062 -6.903 792 HD12 ILE 100 1HD1 ILE 100 -5.476 -5.950 -5.142 793 HD13 ILE 100 2HD1 ILE 100 -5.610 -7.524 -5.927 794 H LYS 101 H LYS 101 0.569 -4.724 -7.343 795 HA LYS 101 HA LYS 101 1.084 -2.351 -5.729 796 HB2 LYS 101 2HB LYS 101 2.526 -3.519 -8.117 797 HB3 LYS 101 1HB LYS 101 3.026 -2.041 -7.302 798 HG2 LYS 101 2HG LYS 101 3.408 -3.254 -5.243 799 HG3 LYS 101 1HG LYS 101 2.790 -4.739 -5.970 800 HD2 LYS 101 2HD LYS 101 5.224 -4.759 -5.919 801 HD3 LYS 101 1HD LYS 101 4.639 -4.719 -7.582 802 HE2 LYS 101 2HE LYS 101 6.549 -3.217 -7.247 803 HE3 LYS 101 1HE LYS 101 5.096 -2.328 -7.708 804 HZ1 LYS 101 3HZ LYS 101 6.306 -1.245 -5.910 805 HZ2 LYS 101 1HZ LYS 101 6.129 -2.613 -4.934 806 HZ3 LYS 101 2HZ LYS 101 4.771 -1.724 -5.405 807 H ALA 102 H ALA 102 0.256 -0.411 -6.138 808 HA ALA 102 HA ALA 102 -0.941 0.060 -8.800 809 HB1 ALA 102 3HB ALA 102 -2.582 1.486 -7.699 810 HB2 ALA 102 1HB ALA 102 -1.814 1.186 -6.138 811 HB3 ALA 102 2HB ALA 102 -2.593 -0.136 -7.008 812 H ASP 103 H ASP 103 -0.584 1.953 -9.857 813 HA ASP 103 HA ASP 103 1.621 3.580 -9.400 814 HB2 ASP 103 2HB ASP 103 0.508 3.463 -11.550 815 HB3 ASP 103 1HB ASP 103 -0.964 4.142 -10.871 816 H ASP 104 H ASP 104 -1.766 4.109 -8.455 817 HA ASP 104 HA ASP 104 -1.031 5.585 -6.131 818 HB2 ASP 104 2HB ASP 104 -0.713 7.389 -7.746 819 HB3 ASP 104 1HB ASP 104 -2.314 7.107 -8.420 820 H ILE 105 H ILE 105 -2.896 6.203 -4.836 821 HA ILE 105 HA ILE 105 -5.355 4.698 -5.503 822 HB ILE 105 HB ILE 105 -4.232 5.047 -2.709 823 HG12 ILE 105 2HG1 ILE 105 -4.088 2.645 -4.554 824 HG13 ILE 105 1HG1 ILE 105 -2.729 3.606 -3.987 825 HG21 ILE 105 1HG2 ILE 105 -6.477 3.311 -3.757 826 HG22 ILE 105 2HG2 ILE 105 -6.664 4.779 -2.800 827 HG23 ILE 105 3HG2 ILE 105 -5.902 3.357 -2.089 828 HD11 ILE 105 3HD1 ILE 105 -2.871 1.509 -2.796 829 HD12 ILE 105 1HD1 ILE 105 -4.516 1.883 -2.287 830 HD13 ILE 105 2HD1 ILE 105 -3.168 2.860 -1.701 831 H VAL 106 H VAL 106 -7.111 5.962 -5.592 832 HA VAL 106 HA VAL 106 -7.195 8.445 -3.979 833 HB VAL 106 HB VAL 106 -8.485 9.529 -5.780 834 HG11 VAL 106 1HG1 VAL 106 -5.822 8.445 -6.714 835 HG12 VAL 106 2HG1 VAL 106 -6.065 9.859 -5.690 836 HG13 VAL 106 3HG1 VAL 106 -6.639 9.871 -7.358 837 HG21 VAL 106 3HG2 VAL 106 -9.442 7.488 -6.783 838 HG22 VAL 106 1HG2 VAL 106 -7.852 7.066 -7.420 839 HG23 VAL 106 2HG2 VAL 106 -8.674 8.518 -7.992 840 H LEU 107 H LEU 107 -9.611 9.292 -3.966 841 HA LEU 107 HA LEU 107 -11.284 7.205 -2.905 842 HB2 LEU 107 2HB LEU 107 -11.801 10.134 -3.445 843 HB3 LEU 107 1HB LEU 107 -12.979 9.063 -2.707 844 HG LEU 107 HG LEU 107 -10.269 9.748 -1.547 845 HD11 LEU 107 1HD1 LEU 107 -11.513 11.014 0.125 846 HD12 LEU 107 2HD1 LEU 107 -13.025 10.653 -0.709 847 HD13 LEU 107 3HD1 LEU 107 -11.801 11.651 -1.495 848 HD21 LEU 107 3HD2 LEU 107 -11.073 8.593 0.459 849 HD22 LEU 107 1HD2 LEU 107 -10.992 7.503 -0.925 850 HD23 LEU 107 2HD2 LEU 107 -12.550 8.137 -0.392 851 H THR 108 H THR 108 -13.038 6.216 -3.843 852 HA THR 108 HA THR 108 -13.174 5.916 -6.603 853 HB THR 108 HB THR 108 -15.481 5.469 -4.685 854 HG1 THR 108 HG1 THR 108 -13.397 3.691 -5.499 855 HG21 THR 108 3HG2 THR 108 -16.147 5.374 -7.047 856 HG22 THR 108 1HG2 THR 108 -16.190 3.770 -6.315 857 HG23 THR 108 2HG2 THR 108 -14.851 4.223 -7.370 858 H LEU 109 H LEU 109 -14.180 6.942 -8.235 859 HA LEU 109 HA LEU 109 -14.831 9.617 -8.073 860 HB2 LEU 109 2HB LEU 109 -15.814 7.642 -10.134 861 HB3 LEU 109 1HB LEU 109 -15.780 9.386 -10.330 862 HG LEU 109 HG LEU 109 -13.364 7.589 -10.027 863 HD11 LEU 109 1HD1 LEU 109 -14.418 9.097 -12.422 864 HD12 LEU 109 2HD1 LEU 109 -14.451 7.348 -12.194 865 HD13 LEU 109 3HD1 LEU 109 -12.908 8.187 -12.359 866 HD21 LEU 109 3HD2 LEU 109 -12.945 9.756 -9.010 867 HD22 LEU 109 1HD2 LEU 109 -13.540 10.576 -10.456 868 HD23 LEU 109 2HD2 LEU 109 -12.061 9.619 -10.529 869 H GLU 110 H GLU 110 -16.942 6.908 -7.541 870 HA GLU 110 HA GLU 110 -19.398 8.420 -7.695 871 HB2 GLU 110 2HB GLU 110 -18.883 5.640 -6.608 872 HB3 GLU 110 1HB GLU 110 -20.466 6.339 -6.926 873 HG2 GLU 110 2HG GLU 110 -19.944 6.474 -9.304 874 HG3 GLU 110 1HG GLU 110 -18.342 5.803 -9.000 Start of MODEL 19 1 H1 MET 1 1H MET 1 18.827 -8.056 -4.794 2 H2 MET 1 2H MET 1 17.671 -7.929 -6.020 3 H3 MET 1 3H MET 1 17.595 -9.209 -4.921 4 HA MET 1 HA MET 1 17.206 -7.647 -3.106 5 HB2 MET 1 2HB MET 1 17.065 -5.623 -5.357 6 HB3 MET 1 1HB MET 1 16.576 -5.309 -3.697 7 HG2 MET 1 2HG MET 1 18.863 -5.717 -2.942 8 HG3 MET 1 1HG MET 1 19.355 -6.043 -4.604 9 HE1 MET 1 3HE MET 1 21.305 -4.259 -4.303 10 HE2 MET 1 1HE MET 1 20.769 -3.893 -2.664 11 HE3 MET 1 2HE MET 1 21.038 -2.584 -3.816 12 H MET 2 H MET 2 15.563 -7.094 -6.272 13 HA MET 2 HA MET 2 13.191 -8.428 -5.206 14 HB2 MET 2 2HB MET 2 11.681 -6.624 -5.704 15 HB3 MET 2 1HB MET 2 12.944 -6.017 -4.645 16 HG2 MET 2 2HG MET 2 12.751 -5.590 -7.620 17 HG3 MET 2 1HG MET 2 12.404 -4.401 -6.368 18 HE1 MET 2 3HE MET 2 14.032 -2.632 -7.512 19 HE2 MET 2 1HE MET 2 14.318 -3.805 -8.801 20 HE3 MET 2 2HE MET 2 15.681 -3.018 -8.005 21 H ARG 3 H ARG 3 11.994 -9.484 -6.718 22 HA ARG 3 HA ARG 3 13.029 -9.492 -9.467 23 HB2 ARG 3 2HB ARG 3 12.921 -11.620 -8.254 24 HB3 ARG 3 1HB ARG 3 11.192 -11.415 -8.023 25 HG2 ARG 3 2HG ARG 3 11.572 -13.003 -9.785 26 HG3 ARG 3 1HG ARG 3 10.883 -11.536 -10.476 27 HD2 ARG 3 2HD ARG 3 13.846 -12.109 -10.453 28 HD3 ARG 3 1HD ARG 3 12.788 -12.600 -11.772 29 HE ARG 3 HE ARG 3 12.340 -9.912 -11.475 30 HH11 ARG 3 1HH1 ARG 3 15.066 -11.905 -12.152 31 HH12 ARG 3 2HH1 ARG 3 15.898 -10.667 -13.017 32 HH21 ARG 3 1HH2 ARG 3 13.401 -8.332 -12.615 33 HH22 ARG 3 2HH2 ARG 3 14.956 -8.665 -13.292 34 H LEU 4 H LEU 4 10.548 -8.037 -7.814 35 HA LEU 4 HA LEU 4 8.279 -8.435 -9.401 36 HB2 LEU 4 2HB LEU 4 7.464 -6.311 -8.406 37 HB3 LEU 4 1HB LEU 4 8.051 -7.486 -7.248 38 HG LEU 4 HG LEU 4 10.295 -6.070 -7.483 39 HD11 LEU 4 1HD1 LEU 4 9.839 -3.681 -7.687 40 HD12 LEU 4 2HD1 LEU 4 8.156 -4.029 -8.091 41 HD13 LEU 4 3HD1 LEU 4 9.449 -4.537 -9.178 42 HD21 LEU 4 3HD2 LEU 4 9.121 -6.511 -5.419 43 HD22 LEU 4 1HD2 LEU 4 7.922 -5.275 -5.804 44 HD23 LEU 4 2HD2 LEU 4 9.598 -4.814 -5.496 45 H ALA 5 H ALA 5 7.172 -6.769 -10.747 46 HA ALA 5 HA ALA 5 9.053 -5.216 -12.410 47 HB1 ALA 5 3HB ALA 5 6.675 -6.775 -13.427 48 HB2 ALA 5 1HB ALA 5 8.362 -7.277 -13.569 49 HB3 ALA 5 2HB ALA 5 7.802 -5.824 -14.395 50 H ASN 6 H ASN 6 8.149 -3.351 -13.475 51 HA ASN 6 HA ASN 6 6.012 -2.081 -11.943 52 HB2 ASN 6 2HB ASN 6 7.799 -0.954 -14.115 53 HB3 ASN 6 1HB ASN 6 6.696 -0.023 -13.104 54 HD21 ASN 6 1HD2 ASN 6 7.263 0.412 -10.975 55 HD22 ASN 6 2HD2 ASN 6 8.855 0.127 -10.374 56 H GLY 7 H GLY 7 5.899 -4.139 -14.391 57 HA2 GLY 7 2HA GLY 7 3.477 -2.951 -15.548 58 HA3 GLY 7 1HA GLY 7 4.756 -3.456 -16.643 59 H ILE 8 H ILE 8 2.049 -4.477 -16.523 60 HA ILE 8 HA ILE 8 2.393 -7.190 -15.407 61 HB ILE 8 HB ILE 8 -0.062 -7.398 -15.558 62 HG12 ILE 8 2HG1 ILE 8 0.020 -4.486 -16.424 63 HG13 ILE 8 1HG1 ILE 8 -0.432 -5.844 -17.449 64 HG21 ILE 8 1HG2 ILE 8 0.899 -4.967 -14.049 65 HG22 ILE 8 2HG2 ILE 8 0.948 -6.637 -13.487 66 HG23 ILE 8 3HG2 ILE 8 -0.603 -5.837 -13.737 67 HD11 ILE 8 3HD1 ILE 8 -1.914 -4.883 -15.010 68 HD12 ILE 8 1HD1 ILE 8 -2.357 -6.282 -15.987 69 HD13 ILE 8 2HD1 ILE 8 -2.396 -4.668 -16.693 70 H VAL 9 H VAL 9 0.972 -8.861 -16.632 71 HA VAL 9 HA VAL 9 1.865 -9.040 -19.362 72 HB VAL 9 HB VAL 9 -0.030 -10.820 -17.801 73 HG11 VAL 9 1HG1 VAL 9 0.458 -12.505 -19.542 74 HG12 VAL 9 2HG1 VAL 9 1.346 -11.281 -20.451 75 HG13 VAL 9 3HG1 VAL 9 -0.387 -11.094 -20.179 76 HG21 VAL 9 3HG2 VAL 9 2.180 -10.771 -16.790 77 HG22 VAL 9 1HG2 VAL 9 2.931 -11.094 -18.355 78 HG23 VAL 9 2HG2 VAL 9 1.922 -12.322 -17.588 79 H LEU 10 H LEU 10 -1.436 -9.283 -17.984 80 HA LEU 10 HA LEU 10 -2.471 -7.356 -19.855 81 HB2 LEU 10 2HB LEU 10 -4.146 -8.962 -20.831 82 HB3 LEU 10 1HB LEU 10 -2.493 -9.162 -21.375 83 HG LEU 10 HG LEU 10 -2.314 -11.043 -19.633 84 HD11 LEU 10 1HD1 LEU 10 -4.304 -10.551 -18.330 85 HD12 LEU 10 2HD1 LEU 10 -4.421 -12.157 -19.045 86 HD13 LEU 10 3HD1 LEU 10 -5.323 -10.812 -19.747 87 HD21 LEU 10 3HD2 LEU 10 -4.152 -11.364 -22.005 88 HD22 LEU 10 1HD2 LEU 10 -3.323 -12.673 -21.160 89 HD23 LEU 10 2HD2 LEU 10 -2.390 -11.453 -22.025 90 H ASP 11 H ASP 11 -4.944 -7.238 -19.648 91 HA ASP 11 HA ASP 11 -5.763 -7.796 -16.865 92 HB2 ASP 11 2HB ASP 11 -6.992 -5.644 -16.899 93 HB3 ASP 11 1HB ASP 11 -5.258 -5.418 -17.114 94 H LYS 12 H LYS 12 -8.197 -7.748 -16.597 95 HA LYS 12 HA LYS 12 -9.768 -8.201 -18.991 96 HB2 LYS 12 2HB LYS 12 -8.655 -10.424 -18.263 97 HB3 LYS 12 1HB LYS 12 -9.797 -10.399 -16.927 98 HG2 LYS 12 2HG LYS 12 -11.665 -10.449 -18.456 99 HG3 LYS 12 1HG LYS 12 -10.580 -10.297 -19.839 100 HD2 LYS 12 2HD LYS 12 -9.515 -12.472 -19.096 101 HD3 LYS 12 1HD LYS 12 -10.846 -12.635 -17.948 102 HE2 LYS 12 2HE LYS 12 -11.136 -12.400 -20.949 103 HE3 LYS 12 1HE LYS 12 -11.246 -13.898 -20.026 104 HZ1 LYS 12 3HZ LYS 12 -13.432 -13.026 -20.534 105 HZ2 LYS 12 1HZ LYS 12 -13.069 -11.566 -19.763 106 HZ3 LYS 12 2HZ LYS 12 -13.168 -12.993 -18.865 107 H ASP 13 H ASP 13 -9.895 -8.635 -15.421 108 HA ASP 13 HA ASP 13 -11.996 -6.609 -15.340 109 HB2 ASP 13 2HB ASP 13 -13.274 -8.666 -15.527 110 HB3 ASP 13 1HB ASP 13 -12.380 -9.378 -14.186 111 H THR 14 H THR 14 -11.253 -5.141 -13.974 112 HA THR 14 HA THR 14 -10.305 -6.003 -11.312 113 HB THR 14 HB THR 14 -8.741 -4.068 -11.258 114 HG1 THR 14 HG1 THR 14 -9.796 -2.833 -12.927 115 HG21 THR 14 3HG2 THR 14 -7.020 -5.008 -12.745 116 HG22 THR 14 1HG2 THR 14 -8.251 -5.984 -13.548 117 HG23 THR 14 2HG2 THR 14 -7.864 -6.273 -11.851 118 H THR 15 H THR 15 -12.541 -5.643 -10.714 119 HA THR 15 HA THR 15 -13.182 -2.780 -10.327 120 HB THR 15 HB THR 15 -15.619 -3.412 -10.538 121 HG1 THR 15 HG1 THR 15 -14.689 -5.723 -11.911 122 HG21 THR 15 3HG2 THR 15 -15.638 -3.399 -12.985 123 HG22 THR 15 1HG2 THR 15 -13.926 -3.827 -13.009 124 HG23 THR 15 2HG2 THR 15 -14.437 -2.268 -12.362 125 H PHE 16 H PHE 16 -14.115 -6.062 -9.259 126 HA PHE 16 HA PHE 16 -14.424 -6.989 -7.209 127 HB2 PHE 16 2HB PHE 16 -12.875 -4.618 -6.140 128 HB3 PHE 16 1HB PHE 16 -13.103 -6.170 -5.343 129 HD1 PHE 16 HD1 PHE 16 -12.127 -8.243 -6.520 130 HD2 PHE 16 HD2 PHE 16 -11.024 -4.247 -7.501 131 HE1 PHE 16 HE1 PHE 16 -10.057 -9.070 -7.560 132 HE2 PHE 16 HE2 PHE 16 -8.957 -5.068 -8.547 133 HZ PHE 16 HZ PHE 16 -8.469 -7.483 -8.579 134 H GLY 17 H GLY 17 -16.229 -4.700 -8.207 135 HA2 GLY 17 2HA GLY 17 -18.213 -3.771 -7.482 136 HA3 GLY 17 1HA GLY 17 -18.033 -4.687 -5.994 137 H GLU 18 H GLU 18 -17.764 -3.520 -4.192 138 HA GLU 18 HA GLU 18 -16.893 -0.720 -4.414 139 HB2 GLU 18 2HB GLU 18 -18.322 -2.201 -2.190 140 HB3 GLU 18 1HB GLU 18 -17.735 -0.555 -2.028 141 HG2 GLU 18 2HG GLU 18 -20.088 -0.517 -2.499 142 HG3 GLU 18 1HG GLU 18 -19.212 0.137 -3.879 143 H LEU 19 H LEU 19 -14.728 -0.532 -4.253 144 HA LEU 19 HA LEU 19 -13.186 -2.119 -2.371 145 HB2 LEU 19 2HB LEU 19 -12.423 0.170 -4.194 146 HB3 LEU 19 1HB LEU 19 -11.286 -0.666 -3.151 147 HG LEU 19 HG LEU 19 -12.846 -1.957 -5.401 148 HD11 LEU 19 1HD1 LEU 19 -10.697 -2.062 -6.566 149 HD12 LEU 19 2HD1 LEU 19 -9.934 -1.165 -5.252 150 HD13 LEU 19 3HD1 LEU 19 -11.170 -0.393 -6.247 151 HD21 LEU 19 3HD2 LEU 19 -11.336 -3.861 -5.012 152 HD22 LEU 19 1HD2 LEU 19 -12.362 -3.526 -3.619 153 HD23 LEU 19 2HD2 LEU 19 -10.670 -3.032 -3.606 154 H LYS 20 H LYS 20 -12.765 -1.542 -0.298 155 HA LYS 20 HA LYS 20 -13.182 1.281 0.472 156 HB2 LYS 20 2HB LYS 20 -14.099 -1.148 2.027 157 HB3 LYS 20 1HB LYS 20 -14.170 0.510 2.612 158 HG2 LYS 20 2HG LYS 20 -15.638 1.052 0.654 159 HG3 LYS 20 1HG LYS 20 -15.682 -0.672 0.286 160 HD2 LYS 20 2HD LYS 20 -16.622 0.623 2.850 161 HD3 LYS 20 1HD LYS 20 -17.658 0.023 1.557 162 HE2 LYS 20 2HE LYS 20 -16.781 -2.251 1.942 163 HE3 LYS 20 1HE LYS 20 -15.795 -1.630 3.266 164 HZ1 LYS 20 3HZ LYS 20 -18.762 -1.527 3.151 165 HZ2 LYS 20 1HZ LYS 20 -17.797 -0.988 4.430 166 HZ3 LYS 20 2HZ LYS 20 -17.857 -2.635 4.052 167 H PHE 21 H PHE 21 -11.682 2.200 1.695 168 HA PHE 21 HA PHE 21 -9.255 0.792 2.337 169 HB2 PHE 21 2HB PHE 21 -9.048 3.048 1.559 170 HB3 PHE 21 1HB PHE 21 -10.185 3.639 2.765 171 HD1 PHE 21 HD1 PHE 21 -6.846 1.997 2.470 172 HD2 PHE 21 HD2 PHE 21 -9.386 4.555 4.745 173 HE1 PHE 21 HE1 PHE 21 -4.977 2.516 3.980 174 HE2 PHE 21 HE2 PHE 21 -7.516 5.076 6.254 175 HZ PHE 21 HZ PHE 21 -5.304 4.057 5.873 176 H SER 22 H SER 22 -9.062 -0.449 4.116 177 HA SER 22 HA SER 22 -10.625 0.220 6.509 178 HB2 SER 22 2HB SER 22 -9.037 -2.264 5.821 179 HB3 SER 22 1HB SER 22 -9.911 -2.026 7.333 180 HG SER 22 HG SER 22 -11.809 -1.669 5.921 181 H ALA 23 H ALA 23 -7.251 -0.876 5.893 182 HA ALA 23 HA ALA 23 -6.205 1.139 7.685 183 HB1 ALA 23 3HB ALA 23 -6.008 -1.764 8.496 184 HB2 ALA 23 1HB ALA 23 -7.010 -0.542 9.280 185 HB3 ALA 23 2HB ALA 23 -5.253 -0.399 9.319 186 H LEU 24 H LEU 24 -3.792 0.843 8.030 187 HA LEU 24 HA LEU 24 -2.512 0.189 5.514 188 HB2 LEU 24 2HB LEU 24 -1.887 2.202 6.794 189 HB3 LEU 24 1HB LEU 24 -1.356 1.193 8.126 190 HG LEU 24 HG LEU 24 0.405 0.231 6.646 191 HD11 LEU 24 1HD1 LEU 24 0.914 1.319 4.530 192 HD12 LEU 24 2HD1 LEU 24 -0.503 2.356 4.707 193 HD13 LEU 24 3HD1 LEU 24 -0.703 0.614 4.505 194 HD21 LEU 24 3HD2 LEU 24 0.916 2.078 8.164 195 HD22 LEU 24 1HD2 LEU 24 0.451 3.242 6.921 196 HD23 LEU 24 2HD2 LEU 24 1.857 2.203 6.678 197 H ARG 25 H ARG 25 -1.251 -1.573 5.079 198 HA ARG 25 HA ARG 25 -1.328 -3.764 6.988 199 HB2 ARG 25 2HB ARG 25 -1.894 -4.185 4.644 200 HB3 ARG 25 1HB ARG 25 -0.298 -3.643 4.147 201 HG2 ARG 25 2HG ARG 25 -0.404 -6.053 4.103 202 HG3 ARG 25 1HG ARG 25 0.712 -5.527 5.363 203 HD2 ARG 25 2HD ARG 25 -1.083 -5.867 7.043 204 HD3 ARG 25 1HD ARG 25 -2.136 -6.466 5.759 205 HE ARG 25 HE ARG 25 0.280 -7.929 5.789 206 HH11 ARG 25 1HH1 ARG 25 -2.685 -7.591 7.505 207 HH12 ARG 25 2HH1 ARG 25 -2.600 -9.177 8.185 208 HH21 ARG 25 1HH2 ARG 25 0.377 -9.969 6.687 209 HH22 ARG 25 2HH2 ARG 25 -0.884 -10.496 7.747 210 H ARG 26 H ARG 26 1.267 -2.244 5.023 211 HA ARG 26 HA ARG 26 3.122 -2.103 7.158 212 HB2 ARG 26 2HB ARG 26 3.352 -4.459 7.112 213 HB3 ARG 26 1HB ARG 26 3.322 -4.514 5.356 214 HG2 ARG 26 2HG ARG 26 5.537 -3.584 5.226 215 HG3 ARG 26 1HG ARG 26 5.565 -3.299 6.966 216 HD2 ARG 26 2HD ARG 26 5.257 -6.050 5.766 217 HD3 ARG 26 1HD ARG 26 6.832 -5.340 6.129 218 HE ARG 26 HE ARG 26 5.937 -5.156 8.493 219 HH11 ARG 26 1HH1 ARG 26 4.897 -7.640 6.335 220 HH12 ARG 26 2HH1 ARG 26 4.544 -8.749 7.613 221 HH21 ARG 26 1HH2 ARG 26 5.505 -6.577 10.110 222 HH22 ARG 26 2HH2 ARG 26 4.874 -8.148 9.741 223 H GLU 27 H GLU 27 4.740 -0.714 6.665 224 HA GLU 27 HA GLU 27 5.151 0.091 3.872 225 HB2 GLU 27 2HB GLU 27 6.298 1.241 6.439 226 HB3 GLU 27 1HB GLU 27 6.492 1.930 4.833 227 HG2 GLU 27 2HG GLU 27 4.090 2.335 4.703 228 HG3 GLU 27 1HG GLU 27 3.874 1.608 6.296 229 H VAL 28 H VAL 28 6.609 -1.151 2.768 230 HA VAL 28 HA VAL 28 8.653 -2.634 4.169 231 HB VAL 28 HB VAL 28 9.328 -3.484 1.952 232 HG11 VAL 28 1HG1 VAL 28 7.255 -4.704 1.455 233 HG12 VAL 28 2HG1 VAL 28 6.351 -3.571 2.460 234 HG13 VAL 28 3HG1 VAL 28 7.567 -4.620 3.190 235 HG21 VAL 28 3HG2 VAL 28 8.875 -1.500 0.592 236 HG22 VAL 28 1HG2 VAL 28 7.145 -1.692 0.866 237 HG23 VAL 28 2HG2 VAL 28 8.034 -2.908 -0.053 238 H ARG 29 H ARG 29 10.653 -1.961 4.632 239 HA ARG 29 HA ARG 29 11.545 0.574 3.422 240 HB2 ARG 29 2HB ARG 29 12.385 -0.674 6.048 241 HB3 ARG 29 1HB ARG 29 12.907 0.892 5.438 242 HG2 ARG 29 2HG ARG 29 10.458 1.558 5.438 243 HG3 ARG 29 1HG ARG 29 10.157 0.081 6.353 244 HD2 ARG 29 2HD ARG 29 11.940 2.381 7.161 245 HD3 ARG 29 1HD ARG 29 10.384 1.953 7.871 246 HE ARG 29 HE ARG 29 11.973 -0.271 8.159 247 HH11 ARG 29 1HH1 ARG 29 11.994 3.005 9.209 248 HH12 ARG 29 2HH1 ARG 29 12.980 2.670 10.590 249 HH21 ARG 29 1HH2 ARG 29 13.222 -0.682 9.973 250 HH22 ARG 29 2HH2 ARG 29 13.648 0.630 11.020 251 H ILE 30 H ILE 30 14.125 0.724 3.858 252 HA ILE 30 HA ILE 30 15.211 -1.319 2.042 253 HB ILE 30 HB ILE 30 16.370 1.372 2.812 254 HG12 ILE 30 2HG1 ILE 30 14.798 0.599 0.334 255 HG13 ILE 30 1HG1 ILE 30 14.177 1.569 1.664 256 HG21 ILE 30 1HG2 ILE 30 17.077 -0.530 0.572 257 HG22 ILE 30 2HG2 ILE 30 18.049 -0.196 2.006 258 HG23 ILE 30 3HG2 ILE 30 17.774 1.075 0.816 259 HD11 ILE 30 3HD1 ILE 30 14.788 2.981 -0.187 260 HD12 ILE 30 1HD1 ILE 30 16.424 2.322 -0.192 261 HD13 ILE 30 2HD1 ILE 30 15.864 3.284 1.176 262 H GLN 31 H GLN 31 16.415 -2.932 2.954 263 HA GLN 31 HA GLN 31 17.753 -2.505 5.499 264 HB2 GLN 31 2HB GLN 31 16.653 -4.657 5.071 265 HB3 GLN 31 1HB GLN 31 17.726 -4.947 3.706 266 HG2 GLN 31 2HG GLN 31 19.614 -5.191 5.114 267 HG3 GLN 31 1HG GLN 31 18.756 -4.530 6.502 268 HE21 GLN 31 1HE2 GLN 31 19.207 -6.312 7.764 269 HE22 GLN 31 2HE2 GLN 31 18.444 -7.842 7.521 270 H ASN 32 H ASN 32 19.732 -1.741 5.694 271 HA ASN 32 HA ASN 32 21.224 -0.971 3.380 272 HB2 ASN 32 2HB ASN 32 21.901 -0.746 6.322 273 HB3 ASN 32 1HB ASN 32 22.754 0.070 5.014 274 HD21 ASN 32 1HD2 ASN 32 22.273 2.098 5.810 275 HD22 ASN 32 2HD2 ASN 32 20.689 2.773 5.706 276 H GLU 33 H GLU 33 23.617 -1.254 3.241 277 HA GLU 33 HA GLU 33 24.354 -4.016 3.273 278 HB2 GLU 33 2HB GLU 33 26.046 -1.556 2.785 279 HB3 GLU 33 1HB GLU 33 26.553 -3.209 2.468 280 HG2 GLU 33 2HG GLU 33 24.275 -1.763 1.118 281 HG3 GLU 33 1HG GLU 33 25.863 -2.080 0.424 282 H ASP 34 H ASP 34 24.448 -1.569 5.612 283 HA ASP 34 HA ASP 34 26.586 -2.480 7.237 284 HB2 ASP 34 2HB ASP 34 24.023 -1.116 8.112 285 HB3 ASP 34 1HB ASP 34 25.541 -1.167 9.002 286 H GLY 35 H GLY 35 23.297 -3.539 6.768 287 HA2 GLY 35 2HA GLY 35 22.720 -5.830 7.454 288 HA3 GLY 35 1HA GLY 35 23.581 -5.521 8.955 289 H SER 36 H SER 36 22.549 -2.844 9.295 290 HA SER 36 HA SER 36 19.964 -3.447 10.435 291 HB2 SER 36 2HB SER 36 20.061 -1.047 11.202 292 HB3 SER 36 1HB SER 36 21.425 -2.030 11.728 293 HG SER 36 HG SER 36 22.658 -0.634 10.774 294 H VAL 37 H VAL 37 18.047 -2.078 10.041 295 HA VAL 37 HA VAL 37 17.697 -1.670 7.160 296 HB VAL 37 HB VAL 37 15.576 -1.634 9.325 297 HG11 VAL 37 1HG1 VAL 37 14.010 -2.008 7.473 298 HG12 VAL 37 2HG1 VAL 37 15.345 -1.906 6.322 299 HG13 VAL 37 3HG1 VAL 37 14.897 -0.496 7.282 300 HG21 VAL 37 3HG2 VAL 37 16.680 -3.806 9.295 301 HG22 VAL 37 1HG2 VAL 37 16.464 -3.919 7.548 302 HG23 VAL 37 2HG2 VAL 37 15.057 -3.943 8.615 303 H SER 38 H SER 38 17.710 0.309 6.271 304 HA SER 38 HA SER 38 17.862 2.726 7.736 305 HB2 SER 38 2HB SER 38 18.756 2.593 5.476 306 HB3 SER 38 1HB SER 38 17.156 2.260 4.823 307 HG SER 38 HG SER 38 17.850 4.483 4.631 308 H ASP 39 H ASP 39 16.347 4.434 7.927 309 HA ASP 39 HA ASP 39 13.613 3.608 8.251 310 HB2 ASP 39 2HB ASP 39 14.864 6.359 8.476 311 HB3 ASP 39 1HB ASP 39 13.260 5.902 9.054 312 H GLU 40 H GLU 40 15.343 4.462 5.574 313 HA GLU 40 HA GLU 40 13.384 5.949 4.109 314 HB2 GLU 40 2HB GLU 40 15.701 4.263 3.120 315 HB3 GLU 40 1HB GLU 40 14.769 5.387 2.140 316 HG2 GLU 40 2HG GLU 40 15.556 7.254 3.474 317 HG3 GLU 40 1HG GLU 40 16.426 6.151 4.541 318 H ILE 41 H ILE 41 11.911 5.197 2.564 319 HA ILE 41 HA ILE 41 11.095 2.389 2.977 320 HB ILE 41 HB ILE 41 9.394 4.754 2.150 321 HG12 ILE 41 2HG1 ILE 41 9.531 3.315 4.818 322 HG13 ILE 41 1HG1 ILE 41 10.220 4.901 4.492 323 HG21 ILE 41 1HG2 ILE 41 7.485 3.248 2.600 324 HG22 ILE 41 2HG2 ILE 41 8.615 1.923 2.869 325 HG23 ILE 41 3HG2 ILE 41 8.498 2.673 1.277 326 HD11 ILE 41 3HD1 ILE 41 7.301 4.177 4.398 327 HD12 ILE 41 1HD1 ILE 41 7.977 5.766 4.031 328 HD13 ILE 41 2HD1 ILE 41 8.118 5.101 5.659 329 H LYS 42 H LYS 42 10.663 1.055 1.258 330 HA LYS 42 HA LYS 42 11.294 1.959 -1.442 331 HB2 LYS 42 2HB LYS 42 10.569 -0.724 -0.254 332 HB3 LYS 42 1HB LYS 42 10.678 -0.481 -1.990 333 HG2 LYS 42 2HG LYS 42 12.947 0.028 -0.072 334 HG3 LYS 42 1HG LYS 42 12.704 -1.480 -0.955 335 HD2 LYS 42 2HD LYS 42 12.767 -0.122 -3.085 336 HD3 LYS 42 1HD LYS 42 13.262 1.259 -2.104 337 HE2 LYS 42 2HE LYS 42 15.232 -0.003 -1.338 338 HE3 LYS 42 1HE LYS 42 14.739 -1.367 -2.340 339 HZ1 LYS 42 3HZ LYS 42 16.420 -0.073 -3.446 340 HZ2 LYS 42 1HZ LYS 42 15.497 1.334 -3.311 341 HZ3 LYS 42 2HZ LYS 42 14.966 0.067 -4.295 342 H GLU 43 H GLU 43 8.532 0.302 0.121 343 HA GLU 43 HA GLU 43 6.648 1.803 -1.534 344 HB2 GLU 43 2HB GLU 43 6.579 -1.224 -1.411 345 HB3 GLU 43 1HB GLU 43 5.486 -0.185 -2.314 346 HG2 GLU 43 2HG GLU 43 7.432 0.564 -3.678 347 HG3 GLU 43 1HG GLU 43 8.419 -0.628 -2.838 348 H ARG 44 H ARG 44 4.316 1.130 -0.881 349 HA ARG 44 HA ARG 44 4.164 0.644 2.022 350 HB2 ARG 44 2HB ARG 44 4.188 3.057 1.691 351 HB3 ARG 44 1HB ARG 44 2.888 2.939 0.515 352 HG2 ARG 44 2HG ARG 44 1.328 2.274 2.223 353 HG3 ARG 44 1HG ARG 44 2.624 2.185 3.422 354 HD2 ARG 44 2HD ARG 44 1.773 4.694 1.964 355 HD3 ARG 44 1HD ARG 44 1.291 4.261 3.606 356 HE ARG 44 HE ARG 44 3.642 4.423 4.232 357 HH11 ARG 44 1HH1 ARG 44 2.729 5.922 1.263 358 HH12 ARG 44 2HH1 ARG 44 4.077 6.997 1.278 359 HH21 ARG 44 1HH2 ARG 44 5.344 5.803 4.236 360 HH22 ARG 44 2HH2 ARG 44 5.532 6.943 2.942 361 H THR 45 H THR 45 2.840 -1.029 2.356 362 HA THR 45 HA THR 45 0.816 -1.706 0.335 363 HB THR 45 HB THR 45 1.849 -3.382 2.641 364 HG1 THR 45 HG1 THR 45 2.916 -2.804 0.222 365 HG21 THR 45 3HG2 THR 45 0.161 -4.155 0.245 366 HG22 THR 45 1HG2 THR 45 -0.406 -4.048 1.910 367 HG23 THR 45 2HG2 THR 45 0.792 -5.263 1.464 368 H TYR 46 H TYR 46 -1.297 -1.480 0.668 369 HA TYR 46 HA TYR 46 -2.334 -0.916 3.376 370 HB2 TYR 46 2HB TYR 46 -3.490 -0.215 0.661 371 HB3 TYR 46 1HB TYR 46 -4.254 0.141 2.203 372 HD1 TYR 46 HD2 TYR 46 -1.328 0.936 0.059 373 HD2 TYR 46 HD1 TYR 46 -3.673 2.074 3.426 374 HE1 TYR 46 HE2 TYR 46 -0.201 3.119 0.109 375 HE2 TYR 46 HE1 TYR 46 -2.562 4.259 3.472 376 HH TYR 46 HH TYR 46 -0.616 5.389 0.920 377 H ASP 47 H ASP 47 -4.391 -1.843 3.979 378 HA ASP 47 HA ASP 47 -5.152 -4.277 2.514 379 HB2 ASP 47 2HB ASP 47 -5.902 -3.260 5.267 380 HB3 ASP 47 1HB ASP 47 -6.597 -4.702 4.538 381 H LEU 48 H LEU 48 -6.556 -3.833 0.894 382 HA LEU 48 HA LEU 48 -8.770 -1.947 1.427 383 HB2 LEU 48 2HB LEU 48 -7.700 -2.885 -1.242 384 HB3 LEU 48 1HB LEU 48 -9.004 -1.735 -1.006 385 HG LEU 48 HG LEU 48 -6.083 -1.321 -0.327 386 HD11 LEU 48 1HD1 LEU 48 -7.903 0.043 -2.317 387 HD12 LEU 48 2HD1 LEU 48 -6.625 -1.111 -2.702 388 HD13 LEU 48 3HD1 LEU 48 -6.216 0.455 -2.002 389 HD21 LEU 48 3HD2 LEU 48 -6.729 0.938 0.378 390 HD22 LEU 48 1HD2 LEU 48 -7.477 -0.291 1.397 391 HD23 LEU 48 2HD2 LEU 48 -8.429 0.526 0.158 392 H LYS 49 H LYS 49 -10.724 -2.784 1.727 393 HA LYS 49 HA LYS 49 -11.196 -5.601 1.390 394 HB2 LYS 49 2HB LYS 49 -13.159 -3.424 2.151 395 HB3 LYS 49 1HB LYS 49 -13.391 -5.155 2.360 396 HG2 LYS 49 2HG LYS 49 -11.352 -3.429 3.760 397 HG3 LYS 49 1HG LYS 49 -12.803 -4.139 4.470 398 HD2 LYS 49 2HD LYS 49 -11.915 -6.374 4.144 399 HD3 LYS 49 1HD LYS 49 -10.505 -5.729 3.303 400 HE2 LYS 49 2HE LYS 49 -9.793 -4.590 5.343 401 HE3 LYS 49 1HE LYS 49 -11.224 -5.181 6.188 402 HZ1 LYS 49 3HZ LYS 49 -9.146 -6.935 5.006 403 HZ2 LYS 49 1HZ LYS 49 -10.447 -7.412 5.975 404 HZ3 LYS 49 2HZ LYS 49 -9.196 -6.484 6.635 405 H SER 50 H SER 50 -12.623 -6.625 0.008 406 HA SER 50 HA SER 50 -13.620 -5.044 -2.278 407 HB2 SER 50 2HB SER 50 -12.271 -7.756 -2.461 408 HB3 SER 50 1HB SER 50 -12.925 -6.829 -3.810 409 HG SER 50 HG SER 50 -11.293 -5.195 -2.604 410 H LYS 51 H LYS 51 -15.466 -5.898 -3.364 411 HA LYS 51 HA LYS 51 -17.118 -7.597 -1.634 412 HB2 LYS 51 2HB LYS 51 -17.888 -5.896 -4.020 413 HB3 LYS 51 1HB LYS 51 -19.012 -6.801 -3.013 414 HG2 LYS 51 2HG LYS 51 -17.279 -4.494 -2.133 415 HG3 LYS 51 1HG LYS 51 -19.022 -4.457 -2.398 416 HD2 LYS 51 2HD LYS 51 -17.605 -6.140 -0.318 417 HD3 LYS 51 1HD LYS 51 -18.436 -4.618 -0.001 418 HE2 LYS 51 2HE LYS 51 -20.556 -5.574 -0.618 419 HE3 LYS 51 1HE LYS 51 -19.778 -7.051 -1.181 420 HZ1 LYS 51 3HZ LYS 51 -20.761 -7.375 0.984 421 HZ2 LYS 51 1HZ LYS 51 -19.862 -6.096 1.628 422 HZ3 LYS 51 2HZ LYS 51 -19.082 -7.496 1.095 423 H GLY 52 H GLY 52 -18.857 -8.857 -3.130 424 HA2 GLY 52 2HA GLY 52 -19.222 -10.387 -4.875 425 HA3 GLY 52 1HA GLY 52 -17.547 -10.208 -5.367 426 H GLN 53 H GLN 53 -16.051 -11.661 -4.662 427 HA GLN 53 HA GLN 53 -16.985 -14.143 -3.641 428 HB2 GLN 53 2HB GLN 53 -15.112 -14.014 -5.198 429 HB3 GLN 53 1HB GLN 53 -14.164 -13.112 -4.025 430 HG2 GLN 53 2HG GLN 53 -13.466 -15.448 -4.163 431 HG3 GLN 53 1HG GLN 53 -14.077 -15.043 -2.561 432 HE21 GLN 53 1HE2 GLN 53 -14.521 -17.197 -2.085 433 HE22 GLN 53 2HE2 GLN 53 -15.837 -18.051 -2.806 434 H GLY 54 H GLY 54 -15.541 -11.355 -2.104 435 HA2 GLY 54 2HA GLY 54 -15.869 -10.971 0.252 436 HA3 GLY 54 1HA GLY 54 -15.787 -12.705 0.517 437 H ARG 55 H ARG 55 -13.394 -12.162 -1.618 438 HA ARG 55 HA ARG 55 -11.343 -12.052 0.466 439 HB2 ARG 55 2HB ARG 55 -9.779 -12.761 -1.238 440 HB3 ARG 55 1HB ARG 55 -11.212 -13.771 -1.340 441 HG2 ARG 55 2HG ARG 55 -12.007 -12.446 -3.252 442 HG3 ARG 55 1HG ARG 55 -10.550 -11.456 -3.161 443 HD2 ARG 55 2HD ARG 55 -10.693 -14.419 -3.749 444 HD3 ARG 55 1HD ARG 55 -10.310 -13.137 -4.896 445 HE ARG 55 HE ARG 55 -8.526 -13.257 -2.642 446 HH11 ARG 55 1HH1 ARG 55 -9.143 -14.419 -5.828 447 HH12 ARG 55 2HH1 ARG 55 -7.508 -14.917 -6.074 448 HH21 ARG 55 1HH2 ARG 55 -6.424 -13.903 -2.986 449 HH22 ARG 55 2HH2 ARG 55 -5.995 -14.643 -4.487 450 H MET 56 H MET 56 -9.846 -10.409 0.687 451 HA MET 56 HA MET 56 -10.483 -7.915 -0.719 452 HB2 MET 56 2HB MET 56 -9.288 -6.773 1.031 453 HB3 MET 56 1HB MET 56 -10.382 -7.931 1.768 454 HG2 MET 56 2HG MET 56 -8.513 -9.469 2.128 455 HG3 MET 56 1HG MET 56 -7.416 -8.302 1.392 456 HE1 MET 56 3HE MET 56 -6.731 -9.459 4.212 457 HE2 MET 56 1HE MET 56 -6.316 -7.993 5.102 458 HE3 MET 56 2HE MET 56 -5.792 -8.186 3.429 459 H ILE 57 H ILE 57 -8.339 -6.447 -0.860 460 HA ILE 57 HA ILE 57 -6.249 -8.022 -2.244 461 HB ILE 57 HB ILE 57 -6.028 -6.246 -3.911 462 HG12 ILE 57 2HG1 ILE 57 -8.401 -4.944 -2.529 463 HG13 ILE 57 1HG1 ILE 57 -6.749 -4.334 -2.523 464 HG21 ILE 57 1HG2 ILE 57 -8.897 -7.163 -3.662 465 HG22 ILE 57 2HG2 ILE 57 -7.574 -8.094 -4.362 466 HG23 ILE 57 3HG2 ILE 57 -8.106 -6.603 -5.137 467 HD11 ILE 57 3HD1 ILE 57 -6.873 -4.026 -4.956 468 HD12 ILE 57 1HD1 ILE 57 -8.110 -3.107 -4.096 469 HD13 ILE 57 2HD1 ILE 57 -8.542 -4.599 -4.928 470 H GLN 58 H GLN 58 -4.100 -7.476 -1.762 471 HA GLN 58 HA GLN 58 -3.779 -5.193 0.093 472 HB2 GLN 58 2HB GLN 58 -2.023 -7.600 -0.410 473 HB3 GLN 58 1HB GLN 58 -1.516 -6.226 0.571 474 HG2 GLN 58 2HG GLN 58 -3.540 -6.605 1.999 475 HG3 GLN 58 1HG GLN 58 -3.833 -8.085 1.090 476 HE21 GLN 58 1HE2 GLN 58 -3.209 -7.599 3.939 477 HE22 GLN 58 2HE2 GLN 58 -1.836 -8.595 4.270 478 H VAL 59 H VAL 59 -3.256 -3.349 -0.843 479 HA VAL 59 HA VAL 59 -1.894 -3.407 -3.445 480 HB VAL 59 HB VAL 59 -3.517 -1.199 -2.171 481 HG11 VAL 59 1HG1 VAL 59 -1.785 -0.272 -3.624 482 HG12 VAL 59 2HG1 VAL 59 -3.376 -0.086 -4.363 483 HG13 VAL 59 3HG1 VAL 59 -2.282 -1.349 -4.931 484 HG21 VAL 59 3HG2 VAL 59 -4.873 -3.114 -2.848 485 HG22 VAL 59 1HG2 VAL 59 -4.161 -3.065 -4.461 486 HG23 VAL 59 2HG2 VAL 59 -5.174 -1.734 -3.902 487 H SER 60 H SER 60 0.137 -2.739 -3.667 488 HA SER 60 HA SER 60 1.371 -1.124 -1.533 489 HB2 SER 60 2HB SER 60 2.416 -3.333 -1.930 490 HB3 SER 60 1HB SER 60 2.718 -2.881 -3.608 491 HG SER 60 HG SER 60 4.570 -2.316 -2.676 492 H ILE 61 H ILE 61 1.949 0.912 -1.967 493 HA ILE 61 HA ILE 61 2.229 1.765 -4.789 494 HB ILE 61 HB ILE 61 1.690 4.045 -4.046 495 HG12 ILE 61 2HG1 ILE 61 1.191 2.789 -1.326 496 HG13 ILE 61 1HG1 ILE 61 2.535 3.855 -1.721 497 HG21 ILE 61 1HG2 ILE 61 -0.376 2.012 -3.188 498 HG22 ILE 61 2HG2 ILE 61 -0.104 2.587 -4.833 499 HG23 ILE 61 3HG2 ILE 61 -0.693 3.700 -3.598 500 HD11 ILE 61 3HD1 ILE 61 0.953 5.667 -2.169 501 HD12 ILE 61 1HD1 ILE 61 0.804 5.046 -0.526 502 HD13 ILE 61 2HD1 ILE 61 -0.383 4.597 -1.750 503 HA PRO 62 HA PRO 62 6.511 2.712 -4.067 504 HB2 PRO 62 2HB PRO 62 6.863 4.939 -5.616 505 HB3 PRO 62 1HB PRO 62 6.712 3.308 -6.279 506 HG2 PRO 62 2HG PRO 62 4.616 5.440 -6.007 507 HG3 PRO 62 1HG PRO 62 4.966 4.388 -7.393 508 HD2 PRO 62 2HD PRO 62 2.929 3.870 -5.712 509 HD3 PRO 62 1HD PRO 62 3.888 2.561 -6.439 510 H ALA 63 H ALA 63 7.914 4.112 -2.909 511 HA ALA 63 HA ALA 63 6.865 5.537 -0.766 512 HB1 ALA 63 3HB ALA 63 9.146 4.628 -0.846 513 HB2 ALA 63 1HB ALA 63 9.127 6.322 -0.352 514 HB3 ALA 63 2HB ALA 63 9.600 5.886 -1.996 515 H SER 64 H SER 64 7.304 6.600 -4.011 516 HA SER 64 HA SER 64 7.539 9.376 -3.717 517 HB2 SER 64 2HB SER 64 6.050 7.900 -5.907 518 HB3 SER 64 1HB SER 64 6.716 9.530 -6.005 519 HG SER 64 HG SER 64 8.103 8.011 -6.977 520 H VAL 65 H VAL 65 4.851 7.329 -3.070 521 HA VAL 65 HA VAL 65 3.039 9.660 -2.918 522 HB VAL 65 HB VAL 65 2.228 6.749 -3.121 523 HG11 VAL 65 1HG1 VAL 65 0.651 9.313 -3.358 524 HG12 VAL 65 2HG1 VAL 65 0.545 8.125 -2.059 525 HG13 VAL 65 3HG1 VAL 65 0.014 7.703 -3.687 526 HG21 VAL 65 3HG2 VAL 65 2.329 8.841 -5.302 527 HG22 VAL 65 1HG2 VAL 65 1.647 7.221 -5.457 528 HG23 VAL 65 2HG2 VAL 65 3.375 7.426 -5.171 529 HA PRO 66 HA PRO 66 3.448 8.964 1.522 530 HB2 PRO 66 2HB PRO 66 1.388 11.065 1.745 531 HB3 PRO 66 1HB PRO 66 3.050 11.055 2.342 532 HG2 PRO 66 2HG PRO 66 2.305 12.600 0.270 533 HG3 PRO 66 1HG PRO 66 3.911 11.847 0.340 534 HD2 PRO 66 2HD PRO 66 1.476 10.979 -1.191 535 HD3 PRO 66 1HD PRO 66 3.170 11.059 -1.724 536 H LEU 67 H LEU 67 1.644 9.110 3.409 537 HA LEU 67 HA LEU 67 -0.115 6.897 2.981 538 HB2 LEU 67 2HB LEU 67 0.980 7.335 5.138 539 HB3 LEU 67 1HB LEU 67 0.085 8.835 5.297 540 HG LEU 67 HG LEU 67 -2.033 7.536 5.404 541 HD11 LEU 67 1HD1 LEU 67 -1.320 5.564 4.159 542 HD12 LEU 67 2HD1 LEU 67 -1.945 5.118 5.747 543 HD13 LEU 67 3HD1 LEU 67 -0.205 5.133 5.454 544 HD21 LEU 67 3HD2 LEU 67 -1.679 6.633 7.669 545 HD22 LEU 67 1HD2 LEU 67 -0.949 8.226 7.466 546 HD23 LEU 67 2HD2 LEU 67 0.065 6.783 7.446 547 H LYS 68 H LYS 68 -2.386 6.865 2.929 548 HA LYS 68 HA LYS 68 -3.658 9.370 2.102 549 HB2 LYS 68 2HB LYS 68 -4.416 6.476 1.837 550 HB3 LYS 68 1HB LYS 68 -5.644 7.724 1.689 551 HG2 LYS 68 2HG LYS 68 -4.837 7.043 -0.494 552 HG3 LYS 68 1HG LYS 68 -4.419 8.725 -0.170 553 HD2 LYS 68 2HD LYS 68 -2.132 8.049 0.408 554 HD3 LYS 68 1HD LYS 68 -2.551 6.361 0.102 555 HE2 LYS 68 2HE LYS 68 -1.360 7.389 -1.793 556 HE3 LYS 68 1HE LYS 68 -2.982 6.859 -2.232 557 HZ1 LYS 68 3HZ LYS 68 -3.756 9.122 -2.081 558 HZ2 LYS 68 1HZ LYS 68 -2.429 9.056 -3.126 559 HZ3 LYS 68 2HZ LYS 68 -2.236 9.656 -1.560 560 H GLU 69 H GLU 69 -4.493 10.572 3.674 561 HA GLU 69 HA GLU 69 -5.432 9.451 6.169 562 HB2 GLU 69 2HB GLU 69 -5.468 12.267 5.065 563 HB3 GLU 69 1HB GLU 69 -5.978 11.843 6.694 564 HG2 GLU 69 2HG GLU 69 -3.205 11.429 5.573 565 HG3 GLU 69 1HG GLU 69 -3.695 12.767 6.610 566 H PHE 70 H PHE 70 -7.028 8.099 4.798 567 HA PHE 70 HA PHE 70 -9.460 9.587 4.083 568 HB2 PHE 70 2HB PHE 70 -8.597 6.750 3.497 569 HB3 PHE 70 1HB PHE 70 -10.193 7.376 3.099 570 HD1 PHE 70 HD2 PHE 70 -8.836 10.220 2.425 571 HD2 PHE 70 HD1 PHE 70 -8.294 6.200 1.112 572 HE1 PHE 70 HE2 PHE 70 -7.994 11.039 0.263 573 HE2 PHE 70 HE1 PHE 70 -7.457 7.018 -1.051 574 HZ PHE 70 HZ PHE 70 -7.308 9.439 -1.480 575 H ASP 71 H ASP 71 -11.555 8.528 4.571 576 HA ASP 71 HA ASP 71 -11.845 8.088 7.384 577 HB2 ASP 71 2HB ASP 71 -13.506 9.355 6.162 578 HB3 ASP 71 1HB ASP 71 -13.807 8.002 5.077 579 H TYR 72 H TYR 72 -12.673 6.207 8.445 580 HA TYR 72 HA TYR 72 -11.532 3.782 7.567 581 HB2 TYR 72 2HB TYR 72 -11.950 4.370 9.953 582 HB3 TYR 72 1HB TYR 72 -13.674 4.134 9.684 583 HD1 TYR 72 HD2 TYR 72 -10.402 2.358 9.463 584 HD2 TYR 72 HD1 TYR 72 -14.615 1.996 9.977 585 HE1 TYR 72 HE2 TYR 72 -10.130 -0.033 9.944 586 HE2 TYR 72 HE1 TYR 72 -14.349 -0.402 10.460 587 HH TYR 72 HH TYR 72 -12.671 -2.215 9.941 588 H ASN 73 H ASN 73 -12.226 2.307 6.185 589 HA ASN 73 HA ASN 73 -13.486 1.097 4.749 590 HB2 ASN 73 2HB ASN 73 -15.673 1.768 6.725 591 HB3 ASN 73 1HB ASN 73 -15.918 0.705 5.343 592 HD21 ASN 73 1HD2 ASN 73 -16.162 0.062 8.125 593 HD22 ASN 73 2HD2 ASN 73 -15.026 -1.196 8.441 594 H ALA 74 H ALA 74 -13.122 3.997 4.338 595 HA ALA 74 HA ALA 74 -15.482 4.884 2.922 596 HB1 ALA 74 3HB ALA 74 -13.976 6.500 3.978 597 HB2 ALA 74 1HB ALA 74 -14.116 6.792 2.243 598 HB3 ALA 74 2HB ALA 74 -12.677 6.005 2.893 599 H ARG 75 H ARG 75 -15.646 5.196 0.638 600 HA ARG 75 HA ARG 75 -14.734 2.994 -0.907 601 HB2 ARG 75 2HB ARG 75 -15.928 5.586 -1.913 602 HB3 ARG 75 1HB ARG 75 -15.870 4.054 -2.776 603 HG2 ARG 75 2HG ARG 75 -17.374 3.063 -1.101 604 HG3 ARG 75 1HG ARG 75 -17.441 4.613 -0.258 605 HD2 ARG 75 2HD ARG 75 -18.434 3.987 -3.039 606 HD3 ARG 75 1HD ARG 75 -19.399 4.430 -1.630 607 HE ARG 75 HE ARG 75 -17.678 6.534 -2.005 608 HH11 ARG 75 1HH1 ARG 75 -20.135 4.996 -3.881 609 HH12 ARG 75 2HH1 ARG 75 -20.442 6.421 -4.815 610 HH21 ARG 75 1HH2 ARG 75 -18.118 8.340 -3.201 611 HH22 ARG 75 2HH2 ARG 75 -19.359 8.287 -4.413 612 H VAL 76 H VAL 76 -12.879 2.734 -2.028 613 HA VAL 76 HA VAL 76 -11.355 5.107 -2.879 614 HB VAL 76 HB VAL 76 -9.233 4.009 -2.225 615 HG11 VAL 76 1HG1 VAL 76 -9.422 4.410 0.201 616 HG12 VAL 76 2HG1 VAL 76 -11.178 4.459 0.042 617 HG13 VAL 76 3HG1 VAL 76 -10.186 5.683 -0.751 618 HG21 VAL 76 3HG2 VAL 76 -9.295 2.117 -0.625 619 HG22 VAL 76 1HG2 VAL 76 -9.935 1.686 -2.212 620 HG23 VAL 76 2HG2 VAL 76 -11.038 1.994 -0.873 621 H GLU 77 H GLU 77 -9.988 4.814 -4.678 622 HA GLU 77 HA GLU 77 -10.065 2.223 -6.052 623 HB2 GLU 77 2HB GLU 77 -10.499 3.318 -8.216 624 HB3 GLU 77 1HB GLU 77 -11.830 3.536 -7.092 625 HG2 GLU 77 2HG GLU 77 -11.188 5.801 -6.657 626 HG3 GLU 77 1HG GLU 77 -9.702 5.608 -7.587 627 H LEU 78 H LEU 78 -8.485 2.294 -8.009 628 HA LEU 78 HA LEU 78 -5.984 3.437 -6.938 629 HB2 LEU 78 2HB LEU 78 -6.439 0.997 -8.660 630 HB3 LEU 78 1HB LEU 78 -4.859 1.601 -8.192 631 HG LEU 78 HG LEU 78 -6.987 0.544 -6.319 632 HD11 LEU 78 1HD1 LEU 78 -4.303 -0.594 -7.112 633 HD12 LEU 78 2HD1 LEU 78 -5.883 -1.214 -7.596 634 HD13 LEU 78 3HD1 LEU 78 -5.399 -1.266 -5.901 635 HD21 LEU 78 3HD2 LEU 78 -5.770 2.350 -5.257 636 HD22 LEU 78 1HD2 LEU 78 -4.228 1.632 -5.725 637 HD23 LEU 78 2HD2 LEU 78 -5.273 0.806 -4.568 638 H ILE 79 H ILE 79 -4.382 4.212 -8.314 639 HA ILE 79 HA ILE 79 -5.238 5.054 -11.016 640 HB ILE 79 HB ILE 79 -3.026 6.222 -9.296 641 HG12 ILE 79 2HG1 ILE 79 -5.217 6.640 -8.264 642 HG13 ILE 79 1HG1 ILE 79 -4.534 8.128 -8.903 643 HG21 ILE 79 1HG2 ILE 79 -3.104 8.098 -10.911 644 HG22 ILE 79 2HG2 ILE 79 -4.262 7.185 -11.879 645 HG23 ILE 79 3HG2 ILE 79 -2.626 6.573 -11.653 646 HD11 ILE 79 3HD1 ILE 79 -5.995 7.947 -10.860 647 HD12 ILE 79 1HD1 ILE 79 -6.903 8.008 -9.350 648 HD13 ILE 79 2HD1 ILE 79 -6.692 6.472 -10.188 649 H ASN 80 H ASN 80 -4.309 3.896 -12.633 650 HA ASN 80 HA ASN 80 -3.039 2.339 -13.708 651 HB2 ASN 80 2HB ASN 80 -0.837 3.856 -12.289 652 HB3 ASN 80 1HB ASN 80 -0.538 2.629 -13.513 653 HD21 ASN 80 1HD2 ASN 80 -1.583 5.854 -12.910 654 HD22 ASN 80 2HD2 ASN 80 -1.684 6.352 -14.557 655 HA PRO 81 HA PRO 81 -2.636 -0.504 -10.074 656 HB2 PRO 81 2HB PRO 81 -4.579 -2.240 -10.701 657 HB3 PRO 81 1HB PRO 81 -4.931 -0.687 -9.933 658 HG2 PRO 81 2HG PRO 81 -5.190 -1.483 -12.811 659 HG3 PRO 81 1HG PRO 81 -6.285 -0.506 -11.815 660 HD2 PRO 81 2HD PRO 81 -4.432 0.531 -13.591 661 HD3 PRO 81 1HD PRO 81 -5.110 1.417 -12.213 662 H ILE 82 H ILE 82 -1.094 -2.026 -10.119 663 HA ILE 82 HA ILE 82 -1.004 -3.954 -12.354 664 HB ILE 82 HB ILE 82 1.447 -3.997 -12.281 665 HG12 ILE 82 2HG1 ILE 82 1.287 -1.605 -10.425 666 HG13 ILE 82 1HG1 ILE 82 1.625 -3.246 -9.884 667 HG21 ILE 82 1HG2 ILE 82 0.387 -2.536 -13.910 668 HG22 ILE 82 2HG2 ILE 82 1.899 -1.829 -13.341 669 HG23 ILE 82 3HG2 ILE 82 0.359 -1.218 -12.740 670 HD11 ILE 82 3HD1 ILE 82 3.314 -1.617 -11.769 671 HD12 ILE 82 1HD1 ILE 82 3.646 -3.272 -11.259 672 HD13 ILE 82 2HD1 ILE 82 3.662 -1.967 -10.075 673 H ALA 83 H ALA 83 0.079 -6.031 -11.756 674 HA ALA 83 HA ALA 83 -0.307 -6.643 -8.901 675 HB1 ALA 83 3HB ALA 83 -1.631 -7.996 -10.435 676 HB2 ALA 83 1HB ALA 83 -0.451 -8.992 -9.583 677 HB3 ALA 83 2HB ALA 83 -0.162 -8.526 -11.260 678 H ASP 84 H ASP 84 1.317 -7.553 -7.645 679 HA ASP 84 HA ASP 84 4.018 -7.058 -8.561 680 HB2 ASP 84 2HB ASP 84 2.999 -6.590 -6.216 681 HB3 ASP 84 1HB ASP 84 3.298 -8.297 -5.907 682 H THR 85 H THR 85 5.766 -8.713 -8.160 683 HA THR 85 HA THR 85 4.835 -11.395 -9.007 684 HB THR 85 HB THR 85 7.460 -10.104 -9.807 685 HG1 THR 85 HG1 THR 85 5.019 -9.521 -10.680 686 HG21 THR 85 3HG2 THR 85 7.458 -12.563 -9.917 687 HG22 THR 85 1HG2 THR 85 7.511 -11.855 -11.531 688 HG23 THR 85 2HG2 THR 85 6.001 -12.519 -10.910 689 H VAL 86 H VAL 86 6.181 -9.853 -6.421 690 HA VAL 86 HA VAL 86 8.231 -11.765 -5.732 691 HB VAL 86 HB VAL 86 8.345 -10.658 -3.563 692 HG11 VAL 86 1HG1 VAL 86 9.571 -9.654 -5.391 693 HG12 VAL 86 2HG1 VAL 86 8.951 -8.393 -4.323 694 HG13 VAL 86 3HG1 VAL 86 8.156 -8.713 -5.865 695 HG21 VAL 86 3HG2 VAL 86 6.882 -8.747 -3.026 696 HG22 VAL 86 1HG2 VAL 86 5.979 -10.255 -3.170 697 HG23 VAL 86 2HG2 VAL 86 5.937 -9.074 -4.480 698 H ALA 87 H ALA 87 7.910 -12.519 -3.194 699 HA ALA 87 HA ALA 87 6.952 -14.020 -1.788 700 HB1 ALA 87 3HB ALA 87 5.049 -12.447 -1.768 701 HB2 ALA 87 1HB ALA 87 4.541 -14.125 -1.567 702 HB3 ALA 87 2HB ALA 87 4.335 -13.318 -3.124 703 H THR 88 H THR 88 7.444 -14.508 -4.892 704 HA THR 88 HA THR 88 6.072 -17.064 -5.231 705 HB THR 88 HB THR 88 6.281 -15.560 -7.176 706 HG1 THR 88 HG1 THR 88 7.722 -18.018 -7.369 707 HG21 THR 88 3HG2 THR 88 8.443 -14.529 -6.618 708 HG22 THR 88 1HG2 THR 88 8.445 -15.188 -8.254 709 HG23 THR 88 2HG2 THR 88 9.257 -16.057 -6.954 710 H ALA 89 H ALA 89 8.479 -16.324 -3.348 711 HA ALA 89 HA ALA 89 10.546 -18.147 -4.204 712 HB1 ALA 89 3HB ALA 89 10.299 -16.552 -1.652 713 HB2 ALA 89 1HB ALA 89 11.137 -16.038 -3.116 714 HB3 ALA 89 2HB ALA 89 11.733 -17.422 -2.201 715 H THR 90 H THR 90 9.597 -20.166 -4.173 716 HA THR 90 HA THR 90 9.539 -22.263 -3.257 717 HB THR 90 HB THR 90 10.023 -20.864 -0.616 718 HG1 THR 90 HG1 THR 90 12.124 -22.166 -1.141 719 HG21 THR 90 3HG2 THR 90 10.135 -23.816 -1.268 720 HG22 THR 90 1HG2 THR 90 8.951 -23.026 -0.226 721 HG23 THR 90 2HG2 THR 90 10.648 -23.080 0.249 722 H TYR 91 H TYR 91 7.432 -19.767 -2.064 723 HA TYR 91 HA TYR 91 5.644 -21.397 -0.585 724 HB2 TYR 91 2HB TYR 91 5.176 -18.710 -1.900 725 HB3 TYR 91 1HB TYR 91 4.090 -19.469 -0.739 726 HD1 TYR 91 HD2 TYR 91 5.449 -20.319 1.470 727 HD2 TYR 91 HD1 TYR 91 6.534 -17.044 -1.025 728 HE1 TYR 91 HE2 TYR 91 6.716 -19.334 3.327 729 HE2 TYR 91 HE1 TYR 91 7.802 -16.048 0.831 730 HH TYR 91 HH TYR 91 8.672 -17.728 3.571 731 H GLN 92 H GLN 92 3.416 -21.902 -1.104 732 HA GLN 92 HA GLN 92 3.202 -23.218 -3.648 733 HB2 GLN 92 2HB GLN 92 1.154 -22.879 -1.444 734 HB3 GLN 92 1HB GLN 92 1.007 -23.976 -2.811 735 HG2 GLN 92 2HG GLN 92 2.956 -25.224 -2.035 736 HG3 GLN 92 1HG GLN 92 3.133 -24.111 -0.678 737 HE21 GLN 92 1HE2 GLN 92 2.874 -25.746 0.841 738 HE22 GLN 92 2HE2 GLN 92 1.351 -26.505 1.134 739 H GLY 93 H GLY 93 1.806 -22.807 -5.357 740 HA2 GLY 93 2HA GLY 93 1.142 -20.058 -5.848 741 HA3 GLY 93 1HA GLY 93 0.798 -21.417 -6.907 742 H ALA 94 H ALA 94 -0.279 -20.042 -3.817 743 HA ALA 94 HA ALA 94 -2.936 -19.592 -4.345 744 HB1 ALA 94 3HB ALA 94 -3.164 -21.984 -4.870 745 HB2 ALA 94 1HB ALA 94 -4.116 -21.552 -3.448 746 HB3 ALA 94 2HB ALA 94 -2.578 -22.398 -3.260 747 H ASP 95 H ASP 95 -0.480 -20.572 -2.116 748 HA ASP 95 HA ASP 95 -1.934 -20.186 0.310 749 HB2 ASP 95 2HB ASP 95 -0.068 -21.713 0.241 750 HB3 ASP 95 1HB ASP 95 1.023 -20.429 -0.276 751 H VAL 96 H VAL 96 0.096 -18.096 -1.655 752 HA VAL 96 HA VAL 96 0.474 -16.102 0.380 753 HB VAL 96 HB VAL 96 0.984 -15.923 -2.599 754 HG11 VAL 96 1HG1 VAL 96 2.002 -14.186 -0.342 755 HG12 VAL 96 2HG1 VAL 96 0.789 -13.723 -1.533 756 HG13 VAL 96 3HG1 VAL 96 2.444 -14.042 -2.043 757 HG21 VAL 96 3HG2 VAL 96 3.325 -16.391 -2.028 758 HG22 VAL 96 1HG2 VAL 96 2.272 -17.724 -1.550 759 HG23 VAL 96 2HG2 VAL 96 2.877 -16.596 -0.335 760 H ASP 97 H ASP 97 -0.908 -14.511 0.935 761 HA ASP 97 HA ASP 97 -3.276 -13.839 -0.466 762 HB2 ASP 97 2HB ASP 97 -1.697 -12.187 1.533 763 HB3 ASP 97 1HB ASP 97 -3.356 -11.870 1.034 764 H TRP 98 H TRP 98 -3.562 -12.549 -2.242 765 HA TRP 98 HA TRP 98 -1.185 -11.926 -3.668 766 HB2 TRP 98 2HB TRP 98 -2.600 -11.346 -5.544 767 HB3 TRP 98 1HB TRP 98 -3.110 -12.859 -4.813 768 HD1 TRP 98 HD1 TRP 98 -4.999 -11.551 -2.503 769 HE1 TRP 98 HE1 TRP 98 -7.261 -10.557 -3.231 770 HE3 TRP 98 HE3 TRP 98 -3.986 -10.783 -7.454 771 HZ2 TRP 98 HZ2 TRP 98 -8.455 -9.590 -5.606 772 HZ3 TRP 98 HZ3 TRP 98 -5.733 -9.812 -8.885 773 HH2 TRP 98 HH2 TRP 98 -7.925 -9.236 -7.976 774 H TYR 99 H TYR 99 -0.109 -10.189 -3.975 775 HA TYR 99 HA TYR 99 -0.979 -7.663 -2.804 776 HB2 TYR 99 2HB TYR 99 1.705 -8.598 -3.840 777 HB3 TYR 99 1HB TYR 99 1.398 -6.968 -3.258 778 HD1 TYR 99 HD1 TYR 99 1.533 -10.531 -2.234 779 HD2 TYR 99 HD2 TYR 99 1.381 -6.475 -0.949 780 HE1 TYR 99 HE1 TYR 99 2.071 -11.240 0.060 781 HE2 TYR 99 HE2 TYR 99 1.926 -7.176 1.345 782 HH TYR 99 HH TYR 99 3.037 -10.313 2.093 783 H ILE 100 H ILE 100 -2.086 -6.381 -4.109 784 HA ILE 100 HA ILE 100 -1.321 -6.105 -6.933 785 HB ILE 100 HB ILE 100 -3.628 -4.721 -5.522 786 HG12 ILE 100 2HG1 ILE 100 -3.552 -7.395 -6.951 787 HG13 ILE 100 1HG1 ILE 100 -4.014 -7.089 -5.281 788 HG21 ILE 100 1HG2 ILE 100 -2.985 -3.692 -7.635 789 HG22 ILE 100 2HG2 ILE 100 -4.539 -4.505 -7.806 790 HG23 ILE 100 3HG2 ILE 100 -3.079 -5.256 -8.450 791 HD11 ILE 100 3HD1 ILE 100 -5.523 -6.252 -7.744 792 HD12 ILE 100 1HD1 ILE 100 -5.975 -5.832 -6.088 793 HD13 ILE 100 2HD1 ILE 100 -5.966 -7.520 -6.601 794 H LYS 101 H LYS 101 -1.187 -3.719 -7.701 795 HA LYS 101 HA LYS 101 -0.025 -1.974 -5.648 796 HB2 LYS 101 2HB LYS 101 1.434 -2.383 -8.256 797 HB3 LYS 101 1HB LYS 101 2.031 -1.665 -6.766 798 HG2 LYS 101 2HG LYS 101 1.903 -3.920 -5.712 799 HG3 LYS 101 1HG LYS 101 1.471 -4.580 -7.288 800 HD2 LYS 101 2HD LYS 101 3.799 -4.931 -7.020 801 HD3 LYS 101 1HD LYS 101 3.620 -3.602 -8.168 802 HE2 LYS 101 2HE LYS 101 4.257 -1.997 -6.567 803 HE3 LYS 101 1HE LYS 101 4.011 -3.115 -5.225 804 HZ1 LYS 101 3HZ LYS 101 6.341 -2.833 -5.656 805 HZ2 LYS 101 1HZ LYS 101 6.147 -3.289 -7.272 806 HZ3 LYS 101 2HZ LYS 101 5.888 -4.416 -6.040 807 H ALA 102 H ALA 102 0.370 0.247 -6.487 808 HA ALA 102 HA ALA 102 -1.022 0.988 -8.928 809 HB1 ALA 102 3HB ALA 102 -2.618 2.478 -7.879 810 HB2 ALA 102 1HB ALA 102 -2.024 2.032 -6.278 811 HB3 ALA 102 2HB ALA 102 -2.846 0.834 -7.278 812 H ASP 103 H ASP 103 -0.665 3.158 -9.577 813 HA ASP 103 HA ASP 103 1.780 4.345 -8.666 814 HB2 ASP 103 2HB ASP 103 0.913 4.404 -11.039 815 HB3 ASP 103 1HB ASP 103 -0.315 5.546 -10.504 816 H ASP 104 H ASP 104 -1.563 4.673 -7.859 817 HA ASP 104 HA ASP 104 -1.037 6.262 -5.582 818 HB2 ASP 104 2HB ASP 104 -0.852 8.069 -7.233 819 HB3 ASP 104 1HB ASP 104 -2.437 7.663 -7.879 820 H ILE 105 H ILE 105 -3.009 6.789 -4.351 821 HA ILE 105 HA ILE 105 -5.323 5.084 -5.049 822 HB ILE 105 HB ILE 105 -4.223 5.460 -2.249 823 HG12 ILE 105 2HG1 ILE 105 -4.029 3.054 -4.088 824 HG13 ILE 105 1HG1 ILE 105 -2.692 4.072 -3.569 825 HG21 ILE 105 1HG2 ILE 105 -6.646 5.120 -2.328 826 HG22 ILE 105 2HG2 ILE 105 -5.837 3.721 -1.624 827 HG23 ILE 105 3HG2 ILE 105 -6.419 3.656 -3.288 828 HD11 ILE 105 3HD1 ILE 105 -3.023 3.345 -1.267 829 HD12 ILE 105 1HD1 ILE 105 -2.742 1.978 -2.347 830 HD13 ILE 105 2HD1 ILE 105 -4.373 2.332 -1.780 831 H VAL 106 H VAL 106 -7.174 6.213 -5.123 832 HA VAL 106 HA VAL 106 -7.476 8.636 -3.449 833 HB VAL 106 HB VAL 106 -8.738 9.721 -5.274 834 HG11 VAL 106 1HG1 VAL 106 -6.381 10.251 -5.028 835 HG12 VAL 106 2HG1 VAL 106 -6.825 10.244 -6.737 836 HG13 VAL 106 3HG1 VAL 106 -5.940 8.881 -6.047 837 HG21 VAL 106 3HG2 VAL 106 -9.501 7.717 -6.456 838 HG22 VAL 106 1HG2 VAL 106 -7.846 7.368 -6.958 839 HG23 VAL 106 2HG2 VAL 106 -8.665 8.814 -7.553 840 H LEU 107 H LEU 107 -9.975 9.337 -3.653 841 HA LEU 107 HA LEU 107 -11.511 7.116 -2.634 842 HB2 LEU 107 2HB LEU 107 -12.301 9.980 -3.212 843 HB3 LEU 107 1HB LEU 107 -13.331 8.804 -2.415 844 HG LEU 107 HG LEU 107 -10.691 9.830 -1.348 845 HD11 LEU 107 1HD1 LEU 107 -12.052 10.953 0.346 846 HD12 LEU 107 2HD1 LEU 107 -13.520 10.390 -0.453 847 HD13 LEU 107 3HD1 LEU 107 -12.448 11.526 -1.276 848 HD21 LEU 107 3HD2 LEU 107 -12.721 7.995 -0.065 849 HD22 LEU 107 1HD2 LEU 107 -11.258 8.626 0.696 850 HD23 LEU 107 2HD2 LEU 107 -11.134 7.513 -0.667 851 H THR 108 H THR 108 -13.321 6.132 -3.563 852 HA THR 108 HA THR 108 -13.290 5.803 -6.366 853 HB THR 108 HB THR 108 -15.611 5.105 -4.548 854 HG1 THR 108 HG1 THR 108 -13.387 3.466 -5.275 855 HG21 THR 108 3HG2 THR 108 -16.115 5.000 -6.948 856 HG22 THR 108 1HG2 THR 108 -16.071 3.384 -6.240 857 HG23 THR 108 2HG2 THR 108 -14.710 3.964 -7.203 858 H LEU 109 H LEU 109 -14.028 7.101 -7.894 859 HA LEU 109 HA LEU 109 -15.692 9.364 -7.241 860 HB2 LEU 109 2HB LEU 109 -14.628 8.473 -9.925 861 HB3 LEU 109 1HB LEU 109 -15.308 10.047 -9.549 862 HG LEU 109 HG LEU 109 -12.762 8.909 -8.377 863 HD11 LEU 109 1HD1 LEU 109 -13.150 11.116 -10.402 864 HD12 LEU 109 2HD1 LEU 109 -12.524 9.503 -10.739 865 HD13 LEU 109 3HD1 LEU 109 -11.615 10.602 -9.704 866 HD21 LEU 109 3HD2 LEU 109 -14.040 11.627 -8.030 867 HD22 LEU 109 1HD2 LEU 109 -12.449 11.157 -7.432 868 HD23 LEU 109 2HD2 LEU 109 -13.893 10.372 -6.798 869 H GLU 110 H GLU 110 -17.475 7.806 -6.586 870 HA GLU 110 HA GLU 110 -19.302 7.425 -8.885 871 HB2 GLU 110 2HB GLU 110 -19.042 5.759 -6.369 872 HB3 GLU 110 1HB GLU 110 -20.407 5.634 -7.470 873 HG2 GLU 110 2HG GLU 110 -17.537 5.133 -8.246 874 HG3 GLU 110 1HG GLU 110 -18.683 3.879 -7.775 Start of MODEL 20 1 H1 MET 1 1H MET 1 -16.239 -22.677 -14.761 2 H2 MET 1 2H MET 1 -15.844 -21.962 -16.240 3 H3 MET 1 3H MET 1 -17.022 -23.177 -16.179 4 HA MET 1 HA MET 1 -17.212 -20.488 -14.943 5 HB2 MET 1 2HB MET 1 -17.400 -20.433 -17.395 6 HB3 MET 1 1HB MET 1 -18.656 -21.663 -17.336 7 HG2 MET 1 2HG MET 1 -20.120 -20.133 -16.132 8 HG3 MET 1 1HG MET 1 -18.856 -18.902 -16.139 9 HE1 MET 1 3HE MET 1 -21.836 -18.397 -17.174 10 HE2 MET 1 1HE MET 1 -21.527 -17.481 -18.650 11 HE3 MET 1 2HE MET 1 -20.586 -17.154 -17.195 12 H MET 2 H MET 2 -18.239 -20.742 -13.035 13 HA MET 2 HA MET 2 -20.138 -22.818 -12.526 14 HB2 MET 2 2HB MET 2 -20.525 -21.642 -10.380 15 HB3 MET 2 1HB MET 2 -18.823 -21.935 -10.695 16 HG2 MET 2 2HG MET 2 -18.541 -19.615 -11.396 17 HG3 MET 2 1HG MET 2 -20.255 -19.315 -11.109 18 HE1 MET 2 3HE MET 2 -18.531 -17.355 -8.171 19 HE2 MET 2 1HE MET 2 -19.625 -17.243 -9.552 20 HE3 MET 2 2HE MET 2 -17.904 -17.540 -9.809 21 H ARG 3 H ARG 3 -22.236 -22.872 -13.001 22 HA ARG 3 HA ARG 3 -23.567 -20.448 -13.965 23 HB2 ARG 3 2HB ARG 3 -23.564 -22.627 -15.272 24 HB3 ARG 3 1HB ARG 3 -24.605 -23.293 -14.026 25 HG2 ARG 3 2HG ARG 3 -25.384 -20.803 -15.517 26 HG3 ARG 3 1HG ARG 3 -25.662 -22.400 -16.204 27 HD2 ARG 3 2HD ARG 3 -26.726 -21.391 -13.563 28 HD3 ARG 3 1HD ARG 3 -27.653 -21.576 -15.054 29 HE ARG 3 HE ARG 3 -26.673 -24.056 -14.640 30 HH11 ARG 3 1HH1 ARG 3 -28.380 -21.876 -12.581 31 HH12 ARG 3 2HH1 ARG 3 -29.147 -23.152 -11.698 32 HH21 ARG 3 1HH2 ARG 3 -27.640 -25.655 -13.506 33 HH22 ARG 3 2HH2 ARG 3 -28.741 -25.276 -12.227 34 H LEU 4 H LEU 4 -24.632 -19.272 -12.498 35 HA LEU 4 HA LEU 4 -25.445 -20.367 -9.951 36 HB2 LEU 4 2HB LEU 4 -25.747 -17.589 -11.111 37 HB3 LEU 4 1HB LEU 4 -26.191 -18.030 -9.475 38 HG LEU 4 HG LEU 4 -24.090 -16.932 -9.340 39 HD11 LEU 4 1HD1 LEU 4 -22.620 -18.635 -8.408 40 HD12 LEU 4 2HD1 LEU 4 -23.579 -19.900 -9.176 41 HD13 LEU 4 3HD1 LEU 4 -24.291 -18.896 -7.913 42 HD21 LEU 4 3HD2 LEU 4 -23.069 -18.808 -11.476 43 HD22 LEU 4 1HD2 LEU 4 -22.106 -17.610 -10.609 44 HD23 LEU 4 2HD2 LEU 4 -23.410 -17.089 -11.675 45 H ALA 5 H ALA 5 -27.712 -19.228 -9.181 46 HA ALA 5 HA ALA 5 -29.696 -20.843 -10.412 47 HB1 ALA 5 3HB ALA 5 -29.680 -20.272 -8.015 48 HB2 ALA 5 1HB ALA 5 -31.224 -19.908 -8.787 49 HB3 ALA 5 2HB ALA 5 -30.090 -18.606 -8.425 50 H ASN 6 H ASN 6 -31.973 -19.757 -10.788 51 HA ASN 6 HA ASN 6 -31.735 -18.215 -13.188 52 HB2 ASN 6 2HB ASN 6 -34.139 -19.129 -11.591 53 HB3 ASN 6 1HB ASN 6 -34.263 -18.253 -13.115 54 HD21 ASN 6 1HD2 ASN 6 -35.286 -19.937 -14.145 55 HD22 ASN 6 2HD2 ASN 6 -34.474 -21.394 -14.584 56 H GLY 7 H GLY 7 -33.181 -16.262 -13.554 57 HA2 GLY 7 2HA GLY 7 -34.048 -14.192 -12.960 58 HA3 GLY 7 1HA GLY 7 -33.765 -14.585 -11.273 59 H ILE 8 H ILE 8 -31.216 -14.807 -10.873 60 HA ILE 8 HA ILE 8 -30.194 -12.159 -11.220 61 HB ILE 8 HB ILE 8 -28.206 -12.967 -9.989 62 HG12 ILE 8 2HG1 ILE 8 -29.611 -15.663 -10.064 63 HG13 ILE 8 1HG1 ILE 8 -28.111 -15.259 -10.896 64 HG21 ILE 8 1HG2 ILE 8 -30.152 -12.166 -8.759 65 HG22 ILE 8 2HG2 ILE 8 -29.359 -13.469 -7.876 66 HG23 ILE 8 3HG2 ILE 8 -30.849 -13.787 -8.765 67 HD11 ILE 8 3HD1 ILE 8 -26.996 -14.939 -8.760 68 HD12 ILE 8 1HD1 ILE 8 -27.709 -16.549 -8.871 69 HD13 ILE 8 2HD1 ILE 8 -28.502 -15.298 -7.913 70 H VAL 9 H VAL 9 -28.157 -11.565 -12.172 71 HA VAL 9 HA VAL 9 -27.699 -12.829 -14.735 72 HB VAL 9 HB VAL 9 -26.331 -10.445 -13.455 73 HG11 VAL 9 1HG1 VAL 9 -24.907 -11.484 -15.147 74 HG12 VAL 9 2HG1 VAL 9 -25.519 -9.929 -15.713 75 HG13 VAL 9 3HG1 VAL 9 -26.231 -11.428 -16.313 76 HG21 VAL 9 3HG2 VAL 9 -28.703 -10.049 -13.843 77 HG22 VAL 9 1HG2 VAL 9 -28.538 -10.586 -15.516 78 HG23 VAL 9 2HG2 VAL 9 -27.731 -9.112 -14.979 79 H LEU 10 H LEU 10 -25.969 -14.050 -15.348 80 HA LEU 10 HA LEU 10 -24.325 -15.236 -13.313 81 HB2 LEU 10 2HB LEU 10 -24.143 -15.509 -16.320 82 HB3 LEU 10 1HB LEU 10 -23.362 -16.549 -15.141 83 HG LEU 10 HG LEU 10 -26.338 -16.300 -15.625 84 HD11 LEU 10 1HD1 LEU 10 -26.165 -18.631 -16.346 85 HD12 LEU 10 2HD1 LEU 10 -24.417 -18.577 -16.108 86 HD13 LEU 10 3HD1 LEU 10 -25.171 -17.568 -17.343 87 HD21 LEU 10 3HD2 LEU 10 -24.867 -18.030 -13.633 88 HD22 LEU 10 1HD2 LEU 10 -26.601 -18.063 -13.959 89 HD23 LEU 10 2HD2 LEU 10 -25.867 -16.629 -13.246 90 H ASP 11 H ASP 11 -21.932 -15.367 -13.507 91 HA ASP 11 HA ASP 11 -20.841 -12.785 -13.322 92 HB2 ASP 11 2HB ASP 11 -20.037 -14.864 -12.131 93 HB3 ASP 11 1HB ASP 11 -19.254 -15.340 -13.637 94 H LYS 12 H LYS 12 -20.502 -11.449 -14.944 95 HA LYS 12 HA LYS 12 -19.179 -12.399 -17.400 96 HB2 LYS 12 2HB LYS 12 -21.603 -12.262 -17.802 97 HB3 LYS 12 1HB LYS 12 -21.614 -10.593 -17.265 98 HG2 LYS 12 2HG LYS 12 -19.850 -11.315 -19.555 99 HG3 LYS 12 1HG LYS 12 -21.592 -11.258 -19.825 100 HD2 LYS 12 2HD LYS 12 -21.579 -8.942 -18.847 101 HD3 LYS 12 1HD LYS 12 -19.817 -9.019 -18.836 102 HE2 LYS 12 2HE LYS 12 -21.597 -9.246 -21.266 103 HE3 LYS 12 1HE LYS 12 -20.641 -7.837 -20.810 104 HZ1 LYS 12 3HZ LYS 12 -19.524 -10.509 -21.474 105 HZ2 LYS 12 1HZ LYS 12 -18.638 -9.115 -21.120 106 HZ3 LYS 12 2HZ LYS 12 -19.572 -9.191 -22.526 107 H ASP 13 H ASP 13 -17.274 -11.391 -17.373 108 HA ASP 13 HA ASP 13 -15.646 -9.826 -17.231 109 HB2 ASP 13 2HB ASP 13 -17.960 -8.028 -17.972 110 HB3 ASP 13 1HB ASP 13 -16.288 -7.481 -17.908 111 H THR 14 H THR 14 -14.924 -9.822 -15.166 112 HA THR 14 HA THR 14 -16.306 -8.153 -13.170 113 HB THR 14 HB THR 14 -14.682 -9.281 -11.544 114 HG1 THR 14 HG1 THR 14 -13.460 -10.899 -12.254 115 HG21 THR 14 3HG2 THR 14 -16.686 -11.009 -13.005 116 HG22 THR 14 1HG2 THR 14 -17.039 -9.911 -11.670 117 HG23 THR 14 2HG2 THR 14 -16.028 -11.330 -11.400 118 H THR 15 H THR 15 -15.614 -6.109 -13.215 119 HA THR 15 HA THR 15 -12.715 -5.557 -13.371 120 HB THR 15 HB THR 15 -13.342 -3.218 -13.877 121 HG1 THR 15 HG1 THR 15 -15.403 -2.568 -13.866 122 HG21 THR 15 3HG2 THR 15 -13.031 -4.811 -15.736 123 HG22 THR 15 1HG2 THR 15 -14.232 -3.581 -16.125 124 HG23 THR 15 2HG2 THR 15 -14.748 -5.206 -15.676 125 H PHE 16 H PHE 16 -11.888 -3.810 -11.947 126 HA PHE 16 HA PHE 16 -12.823 -4.200 -9.231 127 HB2 PHE 16 2HB PHE 16 -10.555 -2.495 -10.302 128 HB3 PHE 16 1HB PHE 16 -10.864 -2.825 -8.602 129 HD1 PHE 16 HD2 PHE 16 -10.458 -5.067 -7.670 130 HD2 PHE 16 HD1 PHE 16 -9.545 -4.154 -11.735 131 HE1 PHE 16 HE2 PHE 16 -9.068 -7.094 -7.813 132 HE2 PHE 16 HE1 PHE 16 -8.159 -6.184 -11.879 133 HZ PHE 16 HZ PHE 16 -7.915 -7.653 -9.917 134 H GLY 17 H GLY 17 -14.605 -3.096 -8.633 135 HA2 GLY 17 2HA GLY 17 -15.142 -0.421 -9.671 136 HA3 GLY 17 1HA GLY 17 -16.226 -1.401 -8.701 137 H GLU 18 H GLU 18 -16.283 -1.124 -6.503 138 HA GLU 18 HA GLU 18 -14.697 1.124 -5.451 139 HB2 GLU 18 2HB GLU 18 -17.213 -0.080 -4.278 140 HB3 GLU 18 1HB GLU 18 -16.433 1.420 -3.795 141 HG2 GLU 18 2HG GLU 18 -16.935 2.355 -6.031 142 HG3 GLU 18 1HG GLU 18 -17.804 0.873 -6.427 143 H LEU 19 H LEU 19 -13.061 0.667 -4.123 144 HA LEU 19 HA LEU 19 -13.036 -1.872 -2.634 145 HB2 LEU 19 2HB LEU 19 -10.803 0.136 -3.033 146 HB3 LEU 19 1HB LEU 19 -10.651 -1.453 -2.303 147 HG LEU 19 HG LEU 19 -11.366 -0.922 -5.198 148 HD11 LEU 19 1HD1 LEU 19 -9.137 -1.825 -5.687 149 HD12 LEU 19 2HD1 LEU 19 -8.795 -1.904 -3.958 150 HD13 LEU 19 3HD1 LEU 19 -9.054 -0.342 -4.738 151 HD21 LEU 19 3HD2 LEU 19 -10.815 -3.526 -3.766 152 HD22 LEU 19 1HD2 LEU 19 -11.085 -3.334 -5.497 153 HD23 LEU 19 2HD2 LEU 19 -12.384 -2.981 -4.359 154 H LYS 20 H LYS 20 -12.376 -1.824 -0.331 155 HA LYS 20 HA LYS 20 -13.132 0.722 0.965 156 HB2 LYS 20 2HB LYS 20 -13.801 -2.048 1.987 157 HB3 LYS 20 1HB LYS 20 -14.288 -0.516 2.705 158 HG2 LYS 20 2HG LYS 20 -15.525 -0.017 0.568 159 HG3 LYS 20 1HG LYS 20 -15.187 -1.672 0.068 160 HD2 LYS 20 2HD LYS 20 -17.410 -1.559 0.996 161 HD3 LYS 20 1HD LYS 20 -16.381 -2.485 2.089 162 HE2 LYS 20 2HE LYS 20 -16.227 -0.673 3.620 163 HE3 LYS 20 1HE LYS 20 -16.907 0.459 2.455 164 HZ1 LYS 20 3HZ LYS 20 -18.503 -0.210 4.171 165 HZ2 LYS 20 1HZ LYS 20 -18.389 -1.817 3.652 166 HZ3 LYS 20 2HZ LYS 20 -19.023 -0.642 2.618 167 H PHE 21 H PHE 21 -11.498 1.573 2.044 168 HA PHE 21 HA PHE 21 -9.053 0.249 2.526 169 HB2 PHE 21 2HB PHE 21 -9.222 2.672 2.179 170 HB3 PHE 21 1HB PHE 21 -10.111 2.839 3.688 171 HD1 PHE 21 HD1 PHE 21 -6.823 1.857 2.267 172 HD2 PHE 21 HD2 PHE 21 -8.965 3.114 5.733 173 HE1 PHE 21 HE1 PHE 21 -4.700 2.176 3.463 174 HE2 PHE 21 HE2 PHE 21 -6.839 3.437 6.931 175 HZ PHE 21 HZ PHE 21 -4.703 2.968 5.795 176 H SER 22 H SER 22 -8.274 -0.893 4.246 177 HA SER 22 HA SER 22 -9.964 -1.040 6.669 178 HB2 SER 22 2HB SER 22 -9.727 -3.192 5.560 179 HB3 SER 22 1HB SER 22 -7.970 -3.049 5.583 180 HG SER 22 HG SER 22 -7.983 -3.819 7.533 181 H ALA 23 H ALA 23 -6.468 -1.489 5.932 182 HA ALA 23 HA ALA 23 -5.699 0.479 7.897 183 HB1 ALA 23 3HB ALA 23 -6.251 -1.411 9.358 184 HB2 ALA 23 1HB ALA 23 -4.526 -1.042 9.405 185 HB3 ALA 23 2HB ALA 23 -5.108 -2.427 8.477 186 H LEU 24 H LEU 24 -3.228 0.441 8.231 187 HA LEU 24 HA LEU 24 -1.897 0.001 5.671 188 HB2 LEU 24 2HB LEU 24 -1.466 2.089 6.844 189 HB3 LEU 24 1HB LEU 24 -0.945 1.220 8.273 190 HG LEU 24 HG LEU 24 1.010 0.353 7.025 191 HD11 LEU 24 1HD1 LEU 24 0.041 2.153 4.805 192 HD12 LEU 24 2HD1 LEU 24 0.071 0.389 4.780 193 HD13 LEU 24 3HD1 LEU 24 1.583 1.295 4.846 194 HD21 LEU 24 3HD2 LEU 24 1.198 2.395 8.370 195 HD22 LEU 24 1HD2 LEU 24 0.756 3.366 6.966 196 HD23 LEU 24 2HD2 LEU 24 2.261 2.446 6.965 197 H ARG 25 H ARG 25 -0.936 -1.880 5.224 198 HA ARG 25 HA ARG 25 -0.627 -3.932 7.192 199 HB2 ARG 25 2HB ARG 25 -1.215 -4.526 4.916 200 HB3 ARG 25 1HB ARG 25 0.254 -3.780 4.304 201 HG2 ARG 25 2HG ARG 25 0.566 -6.153 4.309 202 HG3 ARG 25 1HG ARG 25 1.583 -5.460 5.573 203 HD2 ARG 25 2HD ARG 25 0.497 -7.473 6.383 204 HD3 ARG 25 1HD ARG 25 -0.120 -6.064 7.251 205 HE ARG 25 HE ARG 25 -2.014 -6.195 5.543 206 HH11 ARG 25 1HH1 ARG 25 -0.378 -8.935 6.843 207 HH12 ARG 25 2HH1 ARG 25 -1.679 -10.011 6.473 208 HH21 ARG 25 1HH2 ARG 25 -3.651 -7.564 5.091 209 HH22 ARG 25 2HH2 ARG 25 -3.535 -9.237 5.530 210 H ARG 26 H ARG 26 1.789 -2.374 5.067 211 HA ARG 26 HA ARG 26 3.782 -2.159 7.086 212 HB2 ARG 26 2HB ARG 26 3.956 -4.561 6.931 213 HB3 ARG 26 1HB ARG 26 3.979 -4.501 5.174 214 HG2 ARG 26 2HG ARG 26 6.159 -3.443 5.201 215 HG3 ARG 26 1HG ARG 26 6.133 -3.384 6.960 216 HD2 ARG 26 2HD ARG 26 6.070 -5.856 7.012 217 HD3 ARG 26 1HD ARG 26 6.169 -5.870 5.250 218 HE ARG 26 HE ARG 26 8.291 -4.380 6.441 219 HH11 ARG 26 1HH1 ARG 26 7.280 -7.575 5.630 220 HH12 ARG 26 2HH1 ARG 26 8.900 -8.181 5.610 221 HH21 ARG 26 1HH2 ARG 26 10.349 -5.174 6.364 222 HH22 ARG 26 2HH2 ARG 26 10.602 -6.852 6.026 223 H GLU 27 H GLU 27 5.451 -0.865 6.428 224 HA GLU 27 HA GLU 27 5.635 -0.203 3.559 225 HB2 GLU 27 2HB GLU 27 6.845 1.253 5.928 226 HB3 GLU 27 1HB GLU 27 6.881 1.784 4.251 227 HG2 GLU 27 2HG GLU 27 4.428 1.993 4.283 228 HG3 GLU 27 1HG GLU 27 4.423 1.512 5.980 229 H VAL 28 H VAL 28 7.009 -1.664 2.639 230 HA VAL 28 HA VAL 28 9.170 -2.882 4.025 231 HB VAL 28 HB VAL 28 9.893 -3.686 1.752 232 HG11 VAL 28 1HG1 VAL 28 8.401 -5.007 3.146 233 HG12 VAL 28 2HG1 VAL 28 7.938 -5.161 1.451 234 HG13 VAL 28 3HG1 VAL 28 7.005 -4.122 2.529 235 HG21 VAL 28 3HG2 VAL 28 7.419 -2.208 0.830 236 HG22 VAL 28 1HG2 VAL 28 8.366 -3.334 -0.146 237 HG23 VAL 28 2HG2 VAL 28 9.082 -1.818 0.397 238 H ARG 29 H ARG 29 10.800 -1.693 4.784 239 HA ARG 29 HA ARG 29 11.678 0.657 3.262 240 HB2 ARG 29 2HB ARG 29 12.135 -0.076 6.162 241 HB3 ARG 29 1HB ARG 29 12.696 1.406 5.392 242 HG2 ARG 29 2HG ARG 29 10.349 1.995 4.880 243 HG3 ARG 29 1HG ARG 29 9.824 0.551 5.746 244 HD2 ARG 29 2HD ARG 29 10.798 1.416 7.810 245 HD3 ARG 29 1HD ARG 29 11.384 2.842 6.949 246 HE ARG 29 HE ARG 29 8.614 2.628 6.572 247 HH11 ARG 29 1HH1 ARG 29 10.860 3.342 9.090 248 HH12 ARG 29 2HH1 ARG 29 9.735 4.332 9.945 249 HH21 ARG 29 1HH2 ARG 29 7.189 3.926 7.676 250 HH22 ARG 29 2HH2 ARG 29 7.688 4.656 9.165 251 H ILE 30 H ILE 30 13.948 1.241 3.249 252 HA ILE 30 HA ILE 30 15.491 -0.860 2.121 253 HB ILE 30 HB ILE 30 16.319 1.957 2.861 254 HG12 ILE 30 2HG1 ILE 30 15.322 0.849 0.214 255 HG13 ILE 30 1HG1 ILE 30 14.376 1.849 1.311 256 HG21 ILE 30 1HG2 ILE 30 18.252 0.506 2.522 257 HG22 ILE 30 2HG2 ILE 30 18.107 1.666 1.203 258 HG23 ILE 30 3HG2 ILE 30 17.610 -0.009 0.960 259 HD11 ILE 30 3HD1 ILE 30 15.212 3.176 -0.510 260 HD12 ILE 30 1HD1 ILE 30 16.867 2.672 -0.164 261 HD13 ILE 30 2HD1 ILE 30 15.990 3.679 0.990 262 H GLN 31 H GLN 31 16.365 -2.412 3.386 263 HA GLN 31 HA GLN 31 17.569 -1.765 5.956 264 HB2 GLN 31 2HB GLN 31 16.316 -3.880 5.692 265 HB3 GLN 31 1HB GLN 31 17.460 -4.404 4.463 266 HG2 GLN 31 2HG GLN 31 19.261 -4.351 6.140 267 HG3 GLN 31 1HG GLN 31 18.088 -3.868 7.364 268 HE21 GLN 31 1HE2 GLN 31 18.451 -5.680 8.619 269 HE22 GLN 31 2HE2 GLN 31 17.923 -7.259 8.150 270 H ASN 32 H ASN 32 19.653 -1.251 6.222 271 HA ASN 32 HA ASN 32 21.409 -1.002 3.987 272 HB2 ASN 32 2HB ASN 32 21.994 -0.765 6.953 273 HB3 ASN 32 1HB ASN 32 23.080 -0.266 5.661 274 HD21 ASN 32 1HD2 ASN 32 20.232 0.493 7.451 275 HD22 ASN 32 2HD2 ASN 32 20.003 2.076 6.803 276 H GLU 33 H GLU 33 23.414 -2.064 3.619 277 HA GLU 33 HA GLU 33 23.685 -4.799 4.189 278 HB2 GLU 33 2HB GLU 33 26.243 -4.195 3.709 279 HB3 GLU 33 1HB GLU 33 25.040 -4.254 2.431 280 HG2 GLU 33 2HG GLU 33 26.487 -2.300 2.227 281 HG3 GLU 33 1HG GLU 33 24.807 -1.841 2.488 282 H ASP 34 H ASP 34 24.528 -1.997 6.043 283 HA ASP 34 HA ASP 34 26.128 -3.067 8.052 284 HB2 ASP 34 2HB ASP 34 25.730 -0.706 7.943 285 HB3 ASP 34 1HB ASP 34 23.991 -0.928 8.088 286 H GLY 35 H GLY 35 22.742 -3.549 7.413 287 HA2 GLY 35 2HA GLY 35 21.682 -5.549 8.329 288 HA3 GLY 35 1HA GLY 35 22.510 -5.224 9.844 289 H SER 36 H SER 36 21.984 -2.402 9.891 290 HA SER 36 HA SER 36 19.407 -2.416 11.111 291 HB2 SER 36 2HB SER 36 19.805 -0.016 11.496 292 HB3 SER 36 1HB SER 36 21.223 -0.973 11.927 293 HG SER 36 HG SER 36 22.326 -0.005 10.419 294 H VAL 37 H VAL 37 17.546 -1.235 10.529 295 HA VAL 37 HA VAL 37 17.128 -1.036 7.644 296 HB VAL 37 HB VAL 37 15.080 -0.742 9.858 297 HG11 VAL 37 1HG1 VAL 37 14.379 0.170 7.691 298 HG12 VAL 37 2HG1 VAL 37 13.452 -1.270 8.108 299 HG13 VAL 37 3HG1 VAL 37 14.750 -1.372 6.918 300 HG21 VAL 37 3HG2 VAL 37 16.190 -2.920 10.016 301 HG22 VAL 37 1HG2 VAL 37 15.846 -3.228 8.315 302 HG23 VAL 37 2HG2 VAL 37 14.521 -3.097 9.473 303 H SER 38 H SER 38 16.386 0.850 6.605 304 HA SER 38 HA SER 38 16.912 3.354 8.072 305 HB2 SER 38 2HB SER 38 18.239 3.096 6.052 306 HB3 SER 38 1HB SER 38 16.787 2.802 5.093 307 HG SER 38 HG SER 38 17.897 5.087 5.444 308 H ASP 39 H ASP 39 15.564 5.242 7.535 309 HA ASP 39 HA ASP 39 12.756 4.617 7.700 310 HB2 ASP 39 2HB ASP 39 14.162 7.296 7.512 311 HB3 ASP 39 1HB ASP 39 12.459 7.059 7.904 312 H GLU 40 H GLU 40 14.953 5.359 5.162 313 HA GLU 40 HA GLU 40 13.063 6.272 3.227 314 HB2 GLU 40 2HB GLU 40 15.752 4.919 2.868 315 HB3 GLU 40 1HB GLU 40 14.824 5.661 1.569 316 HG2 GLU 40 2HG GLU 40 14.992 7.833 2.704 317 HG3 GLU 40 1HG GLU 40 15.946 7.082 3.983 318 H ILE 41 H ILE 41 11.779 5.124 1.826 319 HA ILE 41 HA ILE 41 11.443 2.282 2.568 320 HB ILE 41 HB ILE 41 9.322 4.153 1.494 321 HG12 ILE 41 2HG1 ILE 41 9.888 3.407 4.380 322 HG13 ILE 41 1HG1 ILE 41 10.193 4.981 3.657 323 HG21 ILE 41 1HG2 ILE 41 7.757 2.474 2.373 324 HG22 ILE 41 2HG2 ILE 41 9.118 1.472 2.878 325 HG23 ILE 41 3HG2 ILE 41 8.839 1.786 1.165 326 HD11 ILE 41 3HD1 ILE 41 7.791 5.240 3.254 327 HD12 ILE 41 1HD1 ILE 41 8.174 5.027 4.962 328 HD13 ILE 41 2HD1 ILE 41 7.507 3.684 4.034 329 H LYS 42 H LYS 42 11.105 0.715 0.961 330 HA LYS 42 HA LYS 42 11.705 1.334 -1.784 331 HB2 LYS 42 2HB LYS 42 10.472 -1.135 -0.522 332 HB3 LYS 42 1HB LYS 42 10.976 -1.029 -2.198 333 HG2 LYS 42 2HG LYS 42 12.871 -0.670 0.119 334 HG3 LYS 42 1HG LYS 42 12.541 -2.231 -0.636 335 HD2 LYS 42 2HD LYS 42 13.166 -0.992 -2.851 336 HD3 LYS 42 1HD LYS 42 13.944 0.169 -1.774 337 HE2 LYS 42 2HE LYS 42 14.500 -2.800 -1.844 338 HE3 LYS 42 1HE LYS 42 15.501 -1.561 -2.593 339 HZ1 LYS 42 3HZ LYS 42 15.933 -0.632 -0.415 340 HZ2 LYS 42 1HZ LYS 42 16.377 -2.261 -0.459 341 HZ3 LYS 42 2HZ LYS 42 14.949 -1.804 0.313 342 H GLU 43 H GLU 43 8.776 0.034 -0.227 343 HA GLU 43 HA GLU 43 7.007 1.852 -1.625 344 HB2 GLU 43 2HB GLU 43 6.713 -1.141 -2.058 345 HB3 GLU 43 1HB GLU 43 5.641 0.109 -2.674 346 HG2 GLU 43 2HG GLU 43 7.651 1.010 -3.931 347 HG3 GLU 43 1HG GLU 43 8.470 -0.483 -3.500 348 H ARG 44 H ARG 44 4.649 1.399 -0.903 349 HA ARG 44 HA ARG 44 4.653 0.331 1.857 350 HB2 ARG 44 2HB ARG 44 2.849 2.132 2.283 351 HB3 ARG 44 1HB ARG 44 4.536 2.621 2.232 352 HG2 ARG 44 2HG ARG 44 4.235 3.389 -0.082 353 HG3 ARG 44 1HG ARG 44 2.536 2.919 -0.006 354 HD2 ARG 44 2HD ARG 44 2.978 5.363 0.377 355 HD3 ARG 44 1HD ARG 44 2.073 4.561 1.660 356 HE ARG 44 HE ARG 44 4.066 4.584 3.004 357 HH11 ARG 44 1HH1 ARG 44 4.209 6.516 0.146 358 HH12 ARG 44 2HH1 ARG 44 5.508 7.482 0.740 359 HH21 ARG 44 1HH2 ARG 44 5.683 5.831 3.768 360 HH22 ARG 44 2HH2 ARG 44 6.330 7.108 2.796 361 H THR 45 H THR 45 3.039 -0.979 2.461 362 HA THR 45 HA THR 45 1.106 -1.794 0.385 363 HB THR 45 HB THR 45 2.196 -3.384 2.734 364 HG1 THR 45 HG1 THR 45 2.729 -3.513 -0.075 365 HG21 THR 45 3HG2 THR 45 0.399 -4.268 0.455 366 HG22 THR 45 1HG2 THR 45 -0.095 -4.072 2.139 367 HG23 THR 45 2HG2 THR 45 1.078 -5.314 1.702 368 H TYR 46 H TYR 46 -0.996 -1.418 0.724 369 HA TYR 46 HA TYR 46 -2.012 -1.005 3.469 370 HB2 TYR 46 2HB TYR 46 -3.213 -0.103 0.836 371 HB3 TYR 46 1HB TYR 46 -3.868 0.231 2.432 372 HD1 TYR 46 HD2 TYR 46 -1.214 1.069 0.029 373 HD2 TYR 46 HD1 TYR 46 -2.896 1.954 3.841 374 HE1 TYR 46 HE2 TYR 46 0.068 3.161 0.107 375 HE2 TYR 46 HE1 TYR 46 -1.616 4.052 3.923 376 HH TYR 46 HH TYR 46 0.511 4.952 2.887 377 H ASP 47 H ASP 47 -4.031 -1.953 4.041 378 HA ASP 47 HA ASP 47 -4.718 -4.391 2.564 379 HB2 ASP 47 2HB ASP 47 -5.407 -3.438 5.354 380 HB3 ASP 47 1HB ASP 47 -6.064 -4.911 4.645 381 H LEU 48 H LEU 48 -6.315 -4.226 1.090 382 HA LEU 48 HA LEU 48 -8.547 -2.371 1.653 383 HB2 LEU 48 2HB LEU 48 -7.517 -3.301 -1.031 384 HB3 LEU 48 1HB LEU 48 -8.919 -2.273 -0.789 385 HG LEU 48 HG LEU 48 -6.025 -1.585 -0.249 386 HD11 LEU 48 1HD1 LEU 48 -8.069 -0.337 -2.088 387 HD12 LEU 48 2HD1 LEU 48 -6.767 -1.422 -2.581 388 HD13 LEU 48 3HD1 LEU 48 -6.387 0.158 -1.897 389 HD21 LEU 48 3HD2 LEU 48 -6.829 0.617 0.500 390 HD22 LEU 48 1HD2 LEU 48 -7.356 -0.679 1.573 391 HD23 LEU 48 2HD2 LEU 48 -8.491 0.029 0.423 392 H LYS 49 H LYS 49 -10.536 -3.120 1.776 393 HA LYS 49 HA LYS 49 -11.042 -5.977 1.432 394 HB2 LYS 49 2HB LYS 49 -12.773 -3.790 2.627 395 HB3 LYS 49 1HB LYS 49 -13.144 -5.509 2.643 396 HG2 LYS 49 2HG LYS 49 -10.708 -4.299 3.943 397 HG3 LYS 49 1HG LYS 49 -12.224 -4.616 4.786 398 HD2 LYS 49 2HD LYS 49 -10.791 -6.807 3.301 399 HD3 LYS 49 1HD LYS 49 -10.314 -6.365 4.938 400 HE2 LYS 49 2HE LYS 49 -11.850 -8.227 5.026 401 HE3 LYS 49 1HE LYS 49 -12.628 -6.801 5.700 402 HZ1 LYS 49 3HZ LYS 49 -14.096 -8.071 4.249 403 HZ2 LYS 49 1HZ LYS 49 -13.050 -7.828 2.947 404 HZ3 LYS 49 2HZ LYS 49 -13.841 -6.513 3.648 405 H SER 50 H SER 50 -12.804 -6.786 0.193 406 HA SER 50 HA SER 50 -13.740 -4.957 -1.933 407 HB2 SER 50 2HB SER 50 -13.252 -7.941 -2.093 408 HB3 SER 50 1HB SER 50 -13.918 -6.953 -3.393 409 HG SER 50 HG SER 50 -11.576 -5.956 -2.388 410 H LYS 51 H LYS 51 -15.826 -4.500 -1.882 411 HA LYS 51 HA LYS 51 -17.701 -5.903 -0.241 412 HB2 LYS 51 2HB LYS 51 -17.746 -3.447 -0.680 413 HB3 LYS 51 1HB LYS 51 -18.170 -3.771 -2.350 414 HG2 LYS 51 2HG LYS 51 -19.913 -4.732 -0.096 415 HG3 LYS 51 1HG LYS 51 -20.023 -3.080 -0.699 416 HD2 LYS 51 2HD LYS 51 -20.409 -4.039 -2.993 417 HD3 LYS 51 1HD LYS 51 -20.513 -5.631 -2.236 418 HE2 LYS 51 2HE LYS 51 -22.305 -3.264 -1.662 419 HE3 LYS 51 1HE LYS 51 -22.739 -4.690 -2.603 420 HZ1 LYS 51 3HZ LYS 51 -23.612 -4.948 -0.421 421 HZ2 LYS 51 1HZ LYS 51 -22.128 -4.580 0.299 422 HZ3 LYS 51 2HZ LYS 51 -22.318 -6.019 -0.564 423 H GLY 52 H GLY 52 -18.783 -7.720 -0.774 424 HA2 GLY 52 2HA GLY 52 -20.481 -8.541 -2.441 425 HA3 GLY 52 1HA GLY 52 -19.234 -8.300 -3.653 426 H GLN 53 H GLN 53 -17.767 -9.899 -4.023 427 HA GLN 53 HA GLN 53 -18.474 -12.515 -3.264 428 HB2 GLN 53 2HB GLN 53 -16.607 -13.272 -4.573 429 HB3 GLN 53 1HB GLN 53 -17.369 -11.926 -5.402 430 HG2 GLN 53 2HG GLN 53 -14.861 -11.719 -3.743 431 HG3 GLN 53 1HG GLN 53 -14.895 -11.893 -5.493 432 HE21 GLN 53 1HE2 GLN 53 -13.767 -9.749 -3.905 433 HE22 GLN 53 2HE2 GLN 53 -14.564 -8.306 -4.410 434 H GLY 54 H GLY 54 -16.598 -10.279 -1.530 435 HA2 GLY 54 2HA GLY 54 -15.808 -10.557 0.636 436 HA3 GLY 54 1HA GLY 54 -16.114 -12.277 0.503 437 H ARG 55 H ARG 55 -14.181 -11.009 -2.040 438 HA ARG 55 HA ARG 55 -11.817 -12.331 -1.046 439 HB2 ARG 55 2HB ARG 55 -12.457 -10.807 -3.554 440 HB3 ARG 55 1HB ARG 55 -10.781 -11.128 -3.142 441 HG2 ARG 55 2HG ARG 55 -11.394 -13.580 -3.037 442 HG3 ARG 55 1HG ARG 55 -12.951 -13.128 -3.741 443 HD2 ARG 55 2HD ARG 55 -11.863 -12.229 -5.698 444 HD3 ARG 55 1HD ARG 55 -10.272 -12.478 -4.980 445 HE ARG 55 HE ARG 55 -12.062 -14.724 -5.668 446 HH11 ARG 55 1HH1 ARG 55 -8.955 -13.217 -5.727 447 HH12 ARG 55 2HH1 ARG 55 -8.217 -14.538 -6.560 448 HH21 ARG 55 1HH2 ARG 55 -11.081 -16.410 -6.731 449 HH22 ARG 55 2HH2 ARG 55 -9.391 -16.317 -7.094 450 H MET 56 H MET 56 -9.713 -11.262 -0.876 451 HA MET 56 HA MET 56 -9.864 -8.413 -0.106 452 HB2 MET 56 2HB MET 56 -9.727 -9.743 1.932 453 HB3 MET 56 1HB MET 56 -8.336 -10.617 1.305 454 HG2 MET 56 2HG MET 56 -7.039 -8.540 1.303 455 HG3 MET 56 1HG MET 56 -8.434 -7.677 1.948 456 HE1 MET 56 3HE MET 56 -5.774 -7.893 4.885 457 HE2 MET 56 1HE MET 56 -6.648 -6.802 3.809 458 HE3 MET 56 2HE MET 56 -5.389 -7.858 3.165 459 H ILE 57 H ILE 57 -8.023 -7.151 -0.561 460 HA ILE 57 HA ILE 57 -5.862 -8.437 -2.100 461 HB ILE 57 HB ILE 57 -5.860 -6.534 -3.699 462 HG12 ILE 57 2HG1 ILE 57 -8.508 -5.823 -2.395 463 HG13 ILE 57 1HG1 ILE 57 -7.026 -4.878 -2.292 464 HG21 ILE 57 1HG2 ILE 57 -8.445 -8.099 -3.603 465 HG22 ILE 57 2HG2 ILE 57 -6.925 -8.641 -4.315 466 HG23 ILE 57 3HG2 ILE 57 -7.793 -7.280 -5.024 467 HD11 ILE 57 3HD1 ILE 57 -8.563 -3.913 -3.889 468 HD12 ILE 57 1HD1 ILE 57 -8.609 -5.428 -4.791 469 HD13 ILE 57 2HD1 ILE 57 -7.113 -4.498 -4.706 470 H GLN 58 H GLN 58 -3.842 -7.730 -1.576 471 HA GLN 58 HA GLN 58 -3.619 -5.409 0.221 472 HB2 GLN 58 2HB GLN 58 -1.641 -7.585 -0.503 473 HB3 GLN 58 1HB GLN 58 -1.240 -6.200 0.506 474 HG2 GLN 58 2HG GLN 58 -2.913 -6.884 2.142 475 HG3 GLN 58 1HG GLN 58 -3.359 -8.253 1.124 476 HE21 GLN 58 1HE2 GLN 58 -0.916 -6.926 3.219 477 HE22 GLN 58 2HE2 GLN 58 -0.028 -8.390 3.432 478 H VAL 59 H VAL 59 -3.438 -3.526 -0.828 479 HA VAL 59 HA VAL 59 -2.182 -3.459 -3.473 480 HB VAL 59 HB VAL 59 -3.887 -1.421 -2.027 481 HG11 VAL 59 1HG1 VAL 59 -2.242 -0.258 -3.414 482 HG12 VAL 59 2HG1 VAL 59 -3.853 -0.126 -4.117 483 HG13 VAL 59 3HG1 VAL 59 -2.685 -1.256 -4.800 484 HG21 VAL 59 3HG2 VAL 59 -5.100 -3.377 -2.851 485 HG22 VAL 59 1HG2 VAL 59 -4.422 -3.134 -4.463 486 HG23 VAL 59 2HG2 VAL 59 -5.524 -1.939 -3.778 487 H SER 60 H SER 60 -0.274 -2.504 -3.888 488 HA SER 60 HA SER 60 1.037 -1.030 -1.678 489 HB2 SER 60 2HB SER 60 2.371 -2.817 -3.735 490 HB3 SER 60 1HB SER 60 3.187 -1.943 -2.438 491 HG SER 60 HG SER 60 1.396 -4.124 -2.247 492 H ILE 61 H ILE 61 2.116 0.856 -2.162 493 HA ILE 61 HA ILE 61 2.261 1.673 -4.994 494 HB ILE 61 HB ILE 61 1.699 4.006 -4.323 495 HG12 ILE 61 2HG1 ILE 61 0.926 2.733 -1.680 496 HG13 ILE 61 1HG1 ILE 61 2.276 3.835 -1.932 497 HG21 ILE 61 1HG2 ILE 61 -0.004 2.566 -5.313 498 HG22 ILE 61 2HG2 ILE 61 -0.718 3.662 -4.130 499 HG23 ILE 61 3HG2 ILE 61 -0.447 1.970 -3.713 500 HD11 ILE 61 3HD1 ILE 61 -0.644 4.497 -2.267 501 HD12 ILE 61 1HD1 ILE 61 0.700 5.607 -2.537 502 HD13 ILE 61 2HD1 ILE 61 0.392 4.971 -0.922 503 HA PRO 62 HA PRO 62 6.512 2.683 -4.303 504 HB2 PRO 62 2HB PRO 62 6.658 5.135 -5.630 505 HB3 PRO 62 1HB PRO 62 6.826 3.547 -6.382 506 HG2 PRO 62 2HG PRO 62 4.433 5.334 -6.237 507 HG3 PRO 62 1HG PRO 62 4.989 4.311 -7.574 508 HD2 PRO 62 2HD PRO 62 2.932 3.578 -6.018 509 HD3 PRO 62 1HD PRO 62 4.094 2.381 -6.630 510 H ALA 63 H ALA 63 7.829 3.858 -2.918 511 HA ALA 63 HA ALA 63 6.658 5.020 -0.670 512 HB1 ALA 63 3HB ALA 63 8.920 5.608 0.014 513 HB2 ALA 63 1HB ALA 63 9.502 5.326 -1.629 514 HB3 ALA 63 2HB ALA 63 8.873 3.984 -0.674 515 H SER 64 H SER 64 7.734 6.533 -3.634 516 HA SER 64 HA SER 64 7.944 9.202 -2.769 517 HB2 SER 64 2HB SER 64 7.169 8.129 -5.496 518 HB3 SER 64 1HB SER 64 7.627 9.800 -5.164 519 HG SER 64 HG SER 64 9.376 8.515 -5.945 520 H VAL 65 H VAL 65 5.130 7.262 -3.458 521 HA VAL 65 HA VAL 65 3.314 9.491 -3.708 522 HB VAL 65 HB VAL 65 2.683 6.564 -3.232 523 HG11 VAL 65 1HG1 VAL 65 0.461 7.092 -4.098 524 HG12 VAL 65 2HG1 VAL 65 0.911 8.789 -4.259 525 HG13 VAL 65 3HG1 VAL 65 0.818 8.050 -2.660 526 HG21 VAL 65 3HG2 VAL 65 2.290 6.446 -5.657 527 HG22 VAL 65 1HG2 VAL 65 3.965 6.860 -5.284 528 HG23 VAL 65 2HG2 VAL 65 2.846 8.112 -5.823 529 HA PRO 66 HA PRO 66 3.150 10.281 0.674 530 HB2 PRO 66 2HB PRO 66 0.958 11.921 0.700 531 HB3 PRO 66 1HB PRO 66 2.565 12.431 0.170 532 HG2 PRO 66 2HG PRO 66 0.222 11.543 -1.483 533 HG3 PRO 66 1HG PRO 66 1.311 12.920 -1.737 534 HD2 PRO 66 2HD PRO 66 1.603 10.625 -3.110 535 HD3 PRO 66 1HD PRO 66 3.009 11.580 -2.594 536 H LEU 67 H LEU 67 1.803 10.019 2.561 537 HA LEU 67 HA LEU 67 0.329 7.592 2.547 538 HB2 LEU 67 2HB LEU 67 1.695 8.394 4.445 539 HB3 LEU 67 1HB LEU 67 0.559 9.703 4.703 540 HG LEU 67 HG LEU 67 -1.199 8.085 5.282 541 HD11 LEU 67 1HD1 LEU 67 -0.640 5.719 5.607 542 HD12 LEU 67 2HD1 LEU 67 0.961 6.002 4.919 543 HD13 LEU 67 3HD1 LEU 67 -0.480 6.204 3.918 544 HD21 LEU 67 3HD2 LEU 67 -0.277 7.373 7.425 545 HD22 LEU 67 1HD2 LEU 67 0.234 9.016 7.036 546 HD23 LEU 67 2HD2 LEU 67 1.359 7.672 6.837 547 H LYS 68 H LYS 68 -1.870 7.203 2.695 548 HA LYS 68 HA LYS 68 -3.528 9.282 1.571 549 HB2 LYS 68 2HB LYS 68 -3.816 6.337 1.979 550 HB3 LYS 68 1HB LYS 68 -5.267 7.292 1.707 551 HG2 LYS 68 2HG LYS 68 -4.360 6.301 -0.359 552 HG3 LYS 68 1HG LYS 68 -4.438 8.062 -0.417 553 HD2 LYS 68 2HD LYS 68 -2.003 8.107 0.201 554 HD3 LYS 68 1HD LYS 68 -1.982 6.351 0.030 555 HE2 LYS 68 2HE LYS 68 -1.153 7.486 -1.984 556 HE3 LYS 68 1HE LYS 68 -2.612 6.551 -2.313 557 HZ1 LYS 68 3HZ LYS 68 -2.601 8.771 -3.347 558 HZ2 LYS 68 1HZ LYS 68 -2.576 9.475 -1.815 559 HZ3 LYS 68 2HZ LYS 68 -3.905 8.549 -2.300 560 H GLU 69 H GLU 69 -3.728 7.292 4.553 561 HA GLU 69 HA GLU 69 -4.735 7.668 6.558 562 HB2 GLU 69 2HB GLU 69 -4.678 10.534 5.590 563 HB3 GLU 69 1HB GLU 69 -5.140 10.059 7.218 564 HG2 GLU 69 2HG GLU 69 -2.468 9.364 6.016 565 HG3 GLU 69 1HG GLU 69 -2.765 10.858 6.902 566 H PHE 70 H PHE 70 -6.407 7.249 4.047 567 HA PHE 70 HA PHE 70 -8.861 8.615 4.354 568 HB2 PHE 70 2HB PHE 70 -8.265 5.946 3.056 569 HB3 PHE 70 1HB PHE 70 -9.819 6.766 2.952 570 HD1 PHE 70 HD2 PHE 70 -8.613 9.604 2.723 571 HD2 PHE 70 HD1 PHE 70 -7.811 5.935 0.708 572 HE1 PHE 70 HE2 PHE 70 -7.842 10.859 0.752 573 HE2 PHE 70 HE1 PHE 70 -7.038 7.185 -1.265 574 HZ PHE 70 HZ PHE 70 -7.053 9.649 -1.246 575 H ASP 71 H ASP 71 -10.943 7.664 4.987 576 HA ASP 71 HA ASP 71 -10.847 6.715 7.655 577 HB2 ASP 71 2HB ASP 71 -13.195 6.900 5.754 578 HB3 ASP 71 1HB ASP 71 -13.314 6.676 7.495 579 H TYR 72 H TYR 72 -11.654 4.784 8.555 580 HA TYR 72 HA TYR 72 -11.131 2.361 7.211 581 HB2 TYR 72 2HB TYR 72 -11.053 2.616 9.663 582 HB3 TYR 72 1HB TYR 72 -12.795 2.862 9.698 583 HD1 TYR 72 HD1 TYR 72 -10.431 0.353 8.227 584 HD2 TYR 72 HD2 TYR 72 -13.994 1.029 10.454 585 HE1 TYR 72 HE1 TYR 72 -10.745 -2.072 8.444 586 HE2 TYR 72 HE2 TYR 72 -14.317 -1.399 10.680 587 HH TYR 72 HH TYR 72 -11.902 -3.650 9.978 588 H ASN 73 H ASN 73 -12.386 1.004 6.052 589 HA ASN 73 HA ASN 73 -14.072 0.232 4.749 590 HB2 ASN 73 2HB ASN 73 -15.816 1.496 6.877 591 HB3 ASN 73 1HB ASN 73 -16.421 0.455 5.591 592 HD21 ASN 73 1HD2 ASN 73 -16.574 0.047 8.437 593 HD22 ASN 73 2HD2 ASN 73 -15.758 -1.440 8.764 594 H ALA 74 H ALA 74 -13.071 3.132 4.481 595 HA ALA 74 HA ALA 74 -15.309 4.495 3.248 596 HB1 ALA 74 3HB ALA 74 -13.592 5.769 4.421 597 HB2 ALA 74 1HB ALA 74 -13.699 6.258 2.729 598 HB3 ALA 74 2HB ALA 74 -12.378 5.219 3.267 599 H ARG 75 H ARG 75 -15.437 5.133 1.044 600 HA ARG 75 HA ARG 75 -14.790 3.079 -0.822 601 HB2 ARG 75 2HB ARG 75 -16.106 5.765 -1.005 602 HB3 ARG 75 1HB ARG 75 -15.638 4.933 -2.480 603 HG2 ARG 75 2HG ARG 75 -17.034 3.042 -1.903 604 HG3 ARG 75 1HG ARG 75 -17.448 3.789 -0.357 605 HD2 ARG 75 2HD ARG 75 -18.704 5.498 -1.399 606 HD3 ARG 75 1HD ARG 75 -18.004 5.158 -2.982 607 HE ARG 75 HE ARG 75 -19.505 3.450 -3.271 608 HH11 ARG 75 1HH1 ARG 75 -19.693 4.580 -0.016 609 HH12 ARG 75 2HH1 ARG 75 -21.119 3.664 0.324 610 HH21 ARG 75 1HH2 ARG 75 -21.308 2.293 -2.818 611 HH22 ARG 75 2HH2 ARG 75 -22.033 2.397 -1.252 612 H VAL 76 H VAL 76 -12.704 2.776 -1.325 613 HA VAL 76 HA VAL 76 -11.189 5.067 -2.414 614 HB VAL 76 HB VAL 76 -9.113 3.940 -1.770 615 HG11 VAL 76 1HG1 VAL 76 -10.078 5.504 -0.182 616 HG12 VAL 76 2HG1 VAL 76 -9.293 4.179 0.676 617 HG13 VAL 76 3HG1 VAL 76 -11.050 4.218 0.533 618 HG21 VAL 76 3HG2 VAL 76 -10.897 1.838 -0.525 619 HG22 VAL 76 1HG2 VAL 76 -9.149 1.943 -0.322 620 HG23 VAL 76 2HG2 VAL 76 -9.834 1.617 -1.915 621 H GLU 77 H GLU 77 -9.873 4.668 -4.276 622 HA GLU 77 HA GLU 77 -10.085 2.062 -5.569 623 HB2 GLU 77 2HB GLU 77 -10.864 2.947 -7.689 624 HB3 GLU 77 1HB GLU 77 -12.017 3.340 -6.425 625 HG2 GLU 77 2HG GLU 77 -11.326 5.612 -6.379 626 HG3 GLU 77 1HG GLU 77 -9.930 5.277 -7.404 627 H LEU 78 H LEU 78 -8.801 2.199 -7.771 628 HA LEU 78 HA LEU 78 -6.215 3.432 -7.068 629 HB2 LEU 78 2HB LEU 78 -6.750 0.901 -8.628 630 HB3 LEU 78 1HB LEU 78 -5.163 1.561 -8.269 631 HG LEU 78 HG LEU 78 -7.156 0.514 -6.248 632 HD11 LEU 78 1HD1 LEU 78 -4.490 -0.579 -7.142 633 HD12 LEU 78 2HD1 LEU 78 -6.078 -1.261 -7.502 634 HD13 LEU 78 3HD1 LEU 78 -5.489 -1.227 -5.841 635 HD21 LEU 78 3HD2 LEU 78 -5.947 2.375 -5.299 636 HD22 LEU 78 1HD2 LEU 78 -4.409 1.700 -5.843 637 HD23 LEU 78 2HD2 LEU 78 -5.352 0.870 -4.602 638 H ILE 79 H ILE 79 -5.256 4.765 -8.455 639 HA ILE 79 HA ILE 79 -6.532 5.712 -10.789 640 HB ILE 79 HB ILE 79 -3.662 6.059 -9.889 641 HG12 ILE 79 2HG1 ILE 79 -5.314 6.896 -8.263 642 HG13 ILE 79 1HG1 ILE 79 -4.436 8.226 -9.010 643 HG21 ILE 79 1HG2 ILE 79 -3.891 6.535 -12.276 644 HG22 ILE 79 2HG2 ILE 79 -3.609 8.019 -11.368 645 HG23 ILE 79 3HG2 ILE 79 -5.231 7.633 -11.943 646 HD11 ILE 79 3HD1 ILE 79 -7.197 7.316 -9.792 647 HD12 ILE 79 1HD1 ILE 79 -6.324 8.703 -10.443 648 HD13 ILE 79 2HD1 ILE 79 -6.825 8.692 -8.752 649 H ASN 80 H ASN 80 -3.408 3.951 -10.572 650 HA ASN 80 HA ASN 80 -4.152 2.518 -13.041 651 HB2 ASN 80 2HB ASN 80 -1.386 3.577 -12.398 652 HB3 ASN 80 1HB ASN 80 -1.785 2.549 -13.768 653 HD21 ASN 80 1HD2 ASN 80 -1.879 5.746 -12.480 654 HD22 ASN 80 2HD2 ASN 80 -2.476 6.521 -13.900 655 HA PRO 81 HA PRO 81 -3.056 -0.636 -9.866 656 HB2 PRO 81 2HB PRO 81 -5.143 -2.268 -10.262 657 HB3 PRO 81 1HB PRO 81 -5.309 -0.761 -9.354 658 HG2 PRO 81 2HG PRO 81 -6.060 -1.353 -12.191 659 HG3 PRO 81 1HG PRO 81 -6.952 -0.430 -10.968 660 HD2 PRO 81 2HD PRO 81 -5.381 0.697 -12.953 661 HD3 PRO 81 1HD PRO 81 -5.802 1.499 -11.429 662 H ILE 82 H ILE 82 -1.762 -2.399 -10.195 663 HA ILE 82 HA ILE 82 -2.202 -4.080 -12.578 664 HB ILE 82 HB ILE 82 0.241 -4.436 -12.824 665 HG12 ILE 82 2HG1 ILE 82 0.511 -2.114 -10.894 666 HG13 ILE 82 1HG1 ILE 82 0.889 -3.790 -10.520 667 HG21 ILE 82 1HG2 ILE 82 -0.894 -2.854 -14.285 668 HG22 ILE 82 2HG2 ILE 82 0.752 -2.320 -13.945 669 HG23 ILE 82 3HG2 ILE 82 -0.611 -1.553 -13.127 670 HD11 ILE 82 3HD1 ILE 82 2.901 -2.559 -10.970 671 HD12 ILE 82 1HD1 ILE 82 2.282 -2.050 -12.540 672 HD13 ILE 82 2HD1 ILE 82 2.640 -3.752 -12.243 673 H ALA 83 H ALA 83 -1.685 -6.302 -12.309 674 HA ALA 83 HA ALA 83 -1.767 -7.196 -9.527 675 HB1 ALA 83 3HB ALA 83 -2.015 -8.789 -12.083 676 HB2 ALA 83 1HB ALA 83 -3.356 -8.154 -11.129 677 HB3 ALA 83 2HB ALA 83 -2.300 -9.392 -10.449 678 H ASP 84 H ASP 84 0.057 -7.737 -8.466 679 HA ASP 84 HA ASP 84 2.467 -8.276 -10.079 680 HB2 ASP 84 2HB ASP 84 2.211 -7.093 -7.312 681 HB3 ASP 84 1HB ASP 84 3.740 -7.451 -8.115 682 H THR 85 H THR 85 3.719 -9.975 -9.758 683 HA THR 85 HA THR 85 3.399 -11.624 -7.328 684 HB THR 85 HB THR 85 2.394 -12.849 -9.220 685 HG1 THR 85 HG1 THR 85 3.328 -14.692 -8.622 686 HG21 THR 85 3HG2 THR 85 5.131 -12.679 -10.499 687 HG22 THR 85 1HG2 THR 85 3.688 -11.826 -11.048 688 HG23 THR 85 2HG2 THR 85 3.749 -13.586 -11.113 689 H VAL 86 H VAL 86 5.214 -9.421 -8.238 690 HA VAL 86 HA VAL 86 7.754 -10.549 -8.940 691 HB VAL 86 HB VAL 86 8.613 -8.250 -8.748 692 HG11 VAL 86 1HG1 VAL 86 7.508 -8.946 -10.819 693 HG12 VAL 86 2HG1 VAL 86 7.228 -7.235 -10.497 694 HG13 VAL 86 3HG1 VAL 86 5.953 -8.412 -10.180 695 HG21 VAL 86 3HG2 VAL 86 7.107 -6.399 -8.154 696 HG22 VAL 86 1HG2 VAL 86 7.324 -7.513 -6.802 697 HG23 VAL 86 2HG2 VAL 86 5.838 -7.558 -7.752 698 H ALA 87 H ALA 87 6.324 -10.888 -6.084 699 HA ALA 87 HA ALA 87 8.426 -10.043 -4.286 700 HB1 ALA 87 3HB ALA 87 6.088 -11.886 -3.759 701 HB2 ALA 87 1HB ALA 87 6.056 -10.128 -3.592 702 HB3 ALA 87 2HB ALA 87 7.102 -11.094 -2.553 703 H THR 88 H THR 88 9.812 -11.386 -6.032 704 HA THR 88 HA THR 88 9.901 -14.244 -5.632 705 HB THR 88 HB THR 88 11.791 -14.194 -7.219 706 HG1 THR 88 HG1 THR 88 12.745 -12.334 -7.782 707 HG21 THR 88 3HG2 THR 88 10.588 -13.334 -9.161 708 HG22 THR 88 1HG2 THR 88 9.510 -12.414 -8.110 709 HG23 THR 88 2HG2 THR 88 9.473 -14.178 -8.086 710 H ALA 89 H ALA 89 11.407 -11.533 -4.162 711 HA ALA 89 HA ALA 89 13.745 -12.998 -3.248 712 HB1 ALA 89 3HB ALA 89 12.879 -10.169 -2.657 713 HB2 ALA 89 1HB ALA 89 13.976 -10.661 -3.946 714 HB3 ALA 89 2HB ALA 89 14.440 -10.888 -2.261 715 H THR 90 H THR 90 12.889 -14.560 -1.910 716 HA THR 90 HA THR 90 12.716 -15.411 0.205 717 HB THR 90 HB THR 90 12.262 -12.585 1.199 718 HG1 THR 90 HG1 THR 90 14.484 -12.728 1.794 719 HG21 THR 90 3HG2 THR 90 12.976 -15.113 2.702 720 HG22 THR 90 1HG2 THR 90 11.422 -14.278 2.763 721 HG23 THR 90 2HG2 THR 90 12.870 -13.495 3.398 722 H TYR 91 H TYR 91 10.249 -13.241 -1.007 723 HA TYR 91 HA TYR 91 8.237 -14.075 0.886 724 HB2 TYR 91 2HB TYR 91 8.034 -12.417 -1.631 725 HB3 TYR 91 1HB TYR 91 6.704 -12.697 -0.514 726 HD1 TYR 91 HD1 TYR 91 6.904 -11.848 1.855 727 HD2 TYR 91 HD2 TYR 91 9.626 -10.707 -1.208 728 HE1 TYR 91 HE1 TYR 91 7.585 -9.903 3.198 729 HE2 TYR 91 HE2 TYR 91 10.318 -8.760 0.121 730 HH TYR 91 HH TYR 91 9.573 -7.386 1.917 731 H GLN 92 H GLN 92 9.486 -16.054 -1.173 732 HA GLN 92 HA GLN 92 7.564 -16.969 -2.951 733 HB2 GLN 92 2HB GLN 92 9.817 -17.898 -2.900 734 HB3 GLN 92 1HB GLN 92 9.525 -18.601 -1.313 735 HG2 GLN 92 2HG GLN 92 7.801 -20.057 -2.291 736 HG3 GLN 92 1HG GLN 92 8.129 -19.364 -3.878 737 HE21 GLN 92 1HE2 GLN 92 8.363 -22.133 -2.929 738 HE22 GLN 92 2HE2 GLN 92 9.999 -22.596 -3.238 739 H GLY 93 H GLY 93 5.725 -18.173 -2.821 740 HA2 GLY 93 2HA GLY 93 4.328 -19.818 -1.745 741 HA3 GLY 93 1HA GLY 93 4.935 -19.270 -0.193 742 H ALA 94 H ALA 94 3.205 -17.939 -3.021 743 HA ALA 94 HA ALA 94 1.384 -16.558 -1.150 744 HB1 ALA 94 3HB ALA 94 2.397 -15.458 -3.777 745 HB2 ALA 94 1HB ALA 94 2.921 -14.941 -2.174 746 HB3 ALA 94 2HB ALA 94 1.256 -14.667 -2.687 747 H ASP 95 H ASP 95 0.097 -18.528 -1.447 748 HA ASP 95 HA ASP 95 -1.130 -18.984 -4.041 749 HB2 ASP 95 2HB ASP 95 -1.597 -20.301 -1.351 750 HB3 ASP 95 1HB ASP 95 -2.294 -20.838 -2.876 751 H VAL 96 H VAL 96 -2.719 -17.665 -4.677 752 HA VAL 96 HA VAL 96 -4.673 -16.516 -4.767 753 HB VAL 96 HB VAL 96 -5.279 -17.745 -2.066 754 HG11 VAL 96 1HG1 VAL 96 -7.099 -16.272 -3.980 755 HG12 VAL 96 2HG1 VAL 96 -6.590 -15.718 -2.385 756 HG13 VAL 96 3HG1 VAL 96 -7.625 -17.138 -2.536 757 HG21 VAL 96 3HG2 VAL 96 -6.699 -19.295 -3.339 758 HG22 VAL 96 1HG2 VAL 96 -5.014 -19.407 -3.848 759 HG23 VAL 96 2HG2 VAL 96 -6.180 -18.538 -4.846 760 H ASP 97 H ASP 97 -3.398 -16.297 -1.428 761 HA ASP 97 HA ASP 97 -4.073 -13.634 -0.914 762 HB2 ASP 97 2HB ASP 97 -3.209 -15.370 0.712 763 HB3 ASP 97 1HB ASP 97 -1.599 -15.089 0.060 764 H TRP 98 H TRP 98 -3.536 -11.937 -2.226 765 HA TRP 98 HA TRP 98 -0.903 -11.947 -3.541 766 HB2 TRP 98 2HB TRP 98 -1.881 -11.469 -5.708 767 HB3 TRP 98 1HB TRP 98 -2.553 -12.966 -5.074 768 HD1 TRP 98 HD1 TRP 98 -4.919 -11.829 -3.300 769 HE1 TRP 98 HE1 TRP 98 -6.950 -10.730 -4.416 770 HE3 TRP 98 HE3 TRP 98 -2.810 -10.611 -7.801 771 HZ2 TRP 98 HZ2 TRP 98 -7.588 -9.515 -6.883 772 HZ3 TRP 98 HZ3 TRP 98 -4.209 -9.485 -9.486 773 HH2 TRP 98 HH2 TRP 98 -6.547 -8.951 -9.035 774 H TYR 99 H TYR 99 -0.412 -9.930 -4.719 775 HA TYR 99 HA TYR 99 -1.382 -7.569 -3.236 776 HB2 TYR 99 2HB TYR 99 1.393 -8.202 -4.276 777 HB3 TYR 99 1HB TYR 99 0.917 -6.614 -3.682 778 HD1 TYR 99 HD1 TYR 99 0.960 -10.198 -2.600 779 HD2 TYR 99 HD2 TYR 99 1.284 -6.114 -1.444 780 HE1 TYR 99 HE1 TYR 99 1.535 -10.894 -0.313 781 HE2 TYR 99 HE2 TYR 99 1.856 -6.801 0.842 782 HH TYR 99 HH TYR 99 2.594 -10.064 1.657 783 H ILE 100 H ILE 100 -1.662 -5.636 -4.352 784 HA ILE 100 HA ILE 100 -1.399 -5.696 -7.298 785 HB ILE 100 HB ILE 100 -3.690 -4.451 -5.740 786 HG12 ILE 100 2HG1 ILE 100 -3.689 -6.849 -7.602 787 HG13 ILE 100 1HG1 ILE 100 -3.847 -6.914 -5.849 788 HG21 ILE 100 1HG2 ILE 100 -3.242 -4.597 -8.725 789 HG22 ILE 100 2HG2 ILE 100 -3.108 -3.151 -7.722 790 HG23 ILE 100 3HG2 ILE 100 -4.670 -3.944 -7.925 791 HD11 ILE 100 3HD1 ILE 100 -5.948 -5.661 -6.004 792 HD12 ILE 100 1HD1 ILE 100 -6.000 -7.171 -6.910 793 HD13 ILE 100 2HD1 ILE 100 -5.793 -5.642 -7.762 794 H LYS 101 H LYS 101 0.093 -4.178 -7.862 795 HA LYS 101 HA LYS 101 0.521 -1.910 -6.069 796 HB2 LYS 101 2HB LYS 101 2.051 -2.931 -8.456 797 HB3 LYS 101 1HB LYS 101 2.443 -1.412 -7.654 798 HG2 LYS 101 2HG LYS 101 2.895 -2.574 -5.580 799 HG3 LYS 101 1HG LYS 101 2.386 -4.107 -6.293 800 HD2 LYS 101 2HD LYS 101 4.883 -3.728 -6.163 801 HD3 LYS 101 1HD LYS 101 4.251 -4.151 -7.756 802 HE2 LYS 101 2HE LYS 101 4.412 -1.905 -8.513 803 HE3 LYS 101 1HE LYS 101 4.712 -1.303 -6.884 804 HZ1 LYS 101 3HZ LYS 101 6.835 -2.361 -6.876 805 HZ2 LYS 101 1HZ LYS 101 6.716 -1.415 -8.271 806 HZ3 LYS 101 2HZ LYS 101 6.549 -3.094 -8.374 807 H ALA 102 H ALA 102 0.120 0.195 -6.519 808 HA ALA 102 HA ALA 102 -1.266 0.766 -9.069 809 HB1 ALA 102 3HB ALA 102 -2.882 0.529 -7.229 810 HB2 ALA 102 1HB ALA 102 -2.854 2.171 -7.873 811 HB3 ALA 102 2HB ALA 102 -2.054 1.811 -6.345 812 H ASP 103 H ASP 103 -1.086 2.863 -9.900 813 HA ASP 103 HA ASP 103 1.269 4.335 -9.437 814 HB2 ASP 103 2HB ASP 103 -0.039 4.386 -11.537 815 HB3 ASP 103 1HB ASP 103 -1.328 5.249 -10.704 816 H ASP 104 H ASP 104 -2.038 4.768 -8.266 817 HA ASP 104 HA ASP 104 -1.195 6.139 -5.912 818 HB2 ASP 104 2HB ASP 104 -1.052 8.024 -7.473 819 HB3 ASP 104 1HB ASP 104 -2.706 7.736 -8.003 820 H ILE 105 H ILE 105 -2.995 6.634 -4.465 821 HA ILE 105 HA ILE 105 -5.417 5.025 -5.035 822 HB ILE 105 HB ILE 105 -4.171 5.477 -2.311 823 HG12 ILE 105 2HG1 ILE 105 -4.069 3.020 -4.084 824 HG13 ILE 105 1HG1 ILE 105 -2.709 4.063 -3.686 825 HG21 ILE 105 1HG2 ILE 105 -6.591 5.133 -2.250 826 HG22 ILE 105 2HG2 ILE 105 -5.743 3.751 -1.560 827 HG23 ILE 105 3HG2 ILE 105 -6.414 3.646 -3.188 828 HD11 ILE 105 3HD1 ILE 105 -2.924 3.422 -1.332 829 HD12 ILE 105 1HD1 ILE 105 -2.638 2.036 -2.381 830 HD13 ILE 105 2HD1 ILE 105 -4.256 2.347 -1.757 831 H VAL 106 H VAL 106 -7.281 6.162 -5.038 832 HA VAL 106 HA VAL 106 -7.451 8.667 -3.469 833 HB VAL 106 HB VAL 106 -8.800 9.691 -5.265 834 HG11 VAL 106 1HG1 VAL 106 -6.415 10.167 -5.179 835 HG12 VAL 106 2HG1 VAL 106 -6.966 10.110 -6.853 836 HG13 VAL 106 3HG1 VAL 106 -6.076 8.750 -6.170 837 HG21 VAL 106 3HG2 VAL 106 -8.847 8.658 -7.510 838 HG22 VAL 106 1HG2 VAL 106 -9.694 7.683 -6.307 839 HG23 VAL 106 2HG2 VAL 106 -8.081 7.215 -6.845 840 H LEU 107 H LEU 107 -9.934 9.431 -3.581 841 HA LEU 107 HA LEU 107 -11.484 7.202 -2.496 842 HB2 LEU 107 2HB LEU 107 -11.974 10.183 -2.506 843 HB3 LEU 107 1HB LEU 107 -13.102 9.016 -1.842 844 HG LEU 107 HG LEU 107 -10.283 9.489 -0.850 845 HD11 LEU 107 1HD1 LEU 107 -11.345 10.428 1.130 846 HD12 LEU 107 2HD1 LEU 107 -12.937 10.188 0.408 847 HD13 LEU 107 3HD1 LEU 107 -11.805 11.333 -0.311 848 HD21 LEU 107 3HD2 LEU 107 -10.931 7.999 1.003 849 HD22 LEU 107 1HD2 LEU 107 -10.931 7.166 -0.551 850 HD23 LEU 107 2HD2 LEU 107 -12.456 7.660 0.185 851 H THR 108 H THR 108 -13.334 6.410 -3.351 852 HA THR 108 HA THR 108 -13.807 6.808 -6.157 853 HB THR 108 HB THR 108 -15.555 5.231 -4.250 854 HG1 THR 108 HG1 THR 108 -13.198 4.372 -5.610 855 HG21 THR 108 3HG2 THR 108 -14.949 4.865 -7.194 856 HG22 THR 108 1HG2 THR 108 -16.446 5.528 -6.529 857 HG23 THR 108 2HG2 THR 108 -16.011 3.848 -6.222 858 H LEU 109 H LEU 109 -15.786 7.470 -7.139 859 HA LEU 109 HA LEU 109 -17.622 8.746 -7.490 860 HB2 LEU 109 2HB LEU 109 -18.097 8.322 -4.536 861 HB3 LEU 109 1HB LEU 109 -19.270 8.993 -5.653 862 HG LEU 109 HG LEU 109 -18.149 6.181 -5.739 863 HD11 LEU 109 1HD1 LEU 109 -19.712 6.559 -3.891 864 HD12 LEU 109 2HD1 LEU 109 -20.392 5.489 -5.112 865 HD13 LEU 109 3HD1 LEU 109 -20.913 7.172 -5.031 866 HD21 LEU 109 3HD2 LEU 109 -18.612 7.012 -7.985 867 HD22 LEU 109 1HD2 LEU 109 -20.233 7.503 -7.485 868 HD23 LEU 109 2HD2 LEU 109 -19.797 5.794 -7.515 869 H GLU 110 H GLU 110 -15.099 10.054 -6.825 870 HA GLU 110 HA GLU 110 -15.827 12.511 -5.463 871 HB2 GLU 110 2HB GLU 110 -13.539 11.703 -5.279 872 HB3 GLU 110 1HB GLU 110 -13.349 11.741 -7.027 873 HG2 GLU 110 2HG GLU 110 -12.211 13.618 -6.060 874 HG3 GLU 110 1HG GLU 110 -13.595 14.195 -6.981
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