NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8828 | 1mx7 | 5579 | cing | 1-original | 6 | MR format | nomenclature mapping |
----------------------------------------------------------------------------- Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H PRO 1 1H PRO 1 -2.841 -8.974 -16.571 2 2H PRO 1 2H PRO 1 -2.840 -10.623 -16.633 3 HA PRO 1 HA PRO 1 -0.661 -10.844 -16.020 4 1HB PRO 1 1HB PRO 1 0.153 -8.060 -16.699 5 2HB PRO 1 2HB PRO 1 1.003 -9.650 -17.005 6 1HG PRO 1 1HG PRO 1 -0.886 -8.229 -18.710 7 2HG PRO 1 2HG PRO 1 0.059 -9.635 -19.069 8 1HD PRO 1 1HD PRO 1 -2.731 -9.642 -18.877 9 2HD PRO 1 2HD PRO 1 -1.778 -11.122 -18.422 10 H VAL 2 H VAL 2 0.903 -9.245 -14.642 11 HA VAL 2 HA VAL 2 -0.771 -8.314 -12.373 12 HB VAL 2 HB VAL 2 2.222 -8.746 -12.180 13 1HG1 VAL 2 1HG1 VAL 2 1.811 -8.787 -9.904 14 2HG1 VAL 2 2HG1 VAL 2 0.206 -9.492 -10.037 15 3HG1 VAL 2 3HG1 VAL 2 0.438 -7.762 -10.370 16 1HG2 VAL 2 1HG2 VAL 2 0.968 -11.085 -11.218 17 2HG2 VAL 2 2HG2 VAL 2 1.822 -10.966 -12.781 18 3HG2 VAL 2 3HG2 VAL 2 0.076 -10.807 -12.740 19 H ASP 3 H ASP 3 1.186 -7.203 -14.880 20 HA ASP 3 HA ASP 3 2.552 -5.375 -15.199 21 1HB ASP 3 1HB ASP 3 1.236 -3.513 -15.815 22 2HB ASP 3 2HB ASP 3 0.416 -5.050 -16.227 23 H PHE 4 H PHE 4 4.022 -5.167 -13.592 24 HA PHE 4 HA PHE 4 3.840 -4.319 -11.012 25 1HB PHE 4 1HB PHE 4 5.862 -3.828 -13.109 26 2HB PHE 4 2HB PHE 4 6.005 -2.984 -11.569 27 HD1 PHE 4 HD1 PHE 4 6.051 -4.434 -9.429 28 HD2 PHE 4 HD2 PHE 4 6.439 -6.129 -13.362 29 HE1 PHE 4 HE1 PHE 4 6.982 -6.480 -8.456 30 HE2 PHE 4 HE2 PHE 4 7.389 -8.186 -12.333 31 HZ PHE 4 HZ PHE 4 7.674 -8.407 -9.894 32 H ASN 5 H ASN 5 3.129 -2.165 -13.711 33 HA ASN 5 HA ASN 5 3.772 0.310 -12.654 34 1HB ASN 5 1HB ASN 5 3.008 0.555 -14.738 35 2HB ASN 5 2HB ASN 5 1.729 -0.656 -14.572 36 1HD2 ASN 5 1HD2 ASN 5 2.549 2.699 -13.318 37 2HD2 ASN 5 2HD2 ASN 5 0.914 3.220 -13.326 38 H GLY 6 H GLY 6 3.377 0.911 -10.448 39 1HA GLY 6 1HA GLY 6 0.523 0.926 -9.645 40 2HA GLY 6 2HA GLY 6 1.582 -0.028 -8.683 41 H TYR 7 H TYR 7 0.781 1.307 -6.974 42 HA TYR 7 HA TYR 7 2.493 3.699 -6.544 43 1HB TYR 7 1HB TYR 7 -0.507 3.303 -6.191 44 2HB TYR 7 2HB TYR 7 0.330 4.451 -5.176 45 HD1 TYR 7 HD1 TYR 7 -0.170 3.650 -8.830 46 HD2 TYR 7 HD2 TYR 7 0.657 6.639 -5.913 47 HE1 TYR 7 HE1 TYR 7 -0.300 5.442 -10.640 48 HE2 TYR 7 HE2 TYR 7 0.547 8.399 -7.637 49 HH TYR 7 HH TYR 7 -0.641 8.600 -9.990 50 H TRP 8 H TRP 8 3.824 2.827 -4.931 51 HA TRP 8 HA TRP 8 2.486 0.876 -3.032 52 1HB TRP 8 1HB TRP 8 5.412 1.126 -3.794 53 2HB TRP 8 2HB TRP 8 4.710 0.017 -2.616 54 HD1 TRP 8 HD1 TRP 8 2.158 -0.126 -5.141 55 HE1 TRP 8 HE1 TRP 8 2.444 -2.050 -6.794 56 HE3 TRP 8 HE3 TRP 8 7.111 -1.310 -4.229 57 HZ2 TRP 8 HZ2 TRP 8 4.420 -3.841 -7.648 58 HZ3 TRP 8 HZ3 TRP 8 8.074 -3.130 -5.505 59 HH2 TRP 8 HH2 TRP 8 6.738 -4.396 -7.206 60 H LYS 9 H LYS 9 2.043 1.791 -1.093 61 HA LYS 9 HA LYS 9 3.631 4.122 -0.145 62 1HB LYS 9 1HB LYS 9 1.739 4.799 0.562 63 2HB LYS 9 2HB LYS 9 0.959 3.313 0.038 64 1HG LYS 9 1HG LYS 9 0.679 2.487 2.177 65 2HG LYS 9 2HG LYS 9 2.271 3.016 2.724 66 1HD LYS 9 1HD LYS 9 1.039 4.458 3.952 67 2HD LYS 9 2HD LYS 9 1.151 5.437 2.503 68 1HE LYS 9 1HE LYS 9 -1.124 3.441 2.664 69 2HE LYS 9 2HE LYS 9 -1.257 4.854 3.749 70 1HZ LYS 9 1HZ LYS 9 -0.968 6.306 1.893 71 2HZ LYS 9 2HZ LYS 9 -2.336 5.325 1.787 72 3HZ LYS 9 3HZ LYS 9 -0.983 5.007 0.802 73 H MET 10 H MET 10 4.786 4.082 1.847 74 HA MET 10 HA MET 10 5.885 1.434 2.499 75 1HB MET 10 1HB MET 10 6.805 4.110 2.618 76 2HB MET 10 2HB MET 10 6.872 3.357 4.244 77 1HG MET 10 1HG MET 10 8.059 1.381 3.244 78 2HG MET 10 2HG MET 10 7.988 2.136 1.686 79 1HE MET 10 1HE MET 10 11.186 1.942 1.812 80 2HE MET 10 2HE MET 10 11.181 3.636 1.329 81 3HE MET 10 3HE MET 10 9.843 2.605 0.785 82 H LEU 11 H LEU 11 5.305 0.267 4.068 83 HA LEU 11 HA LEU 11 3.427 1.286 6.209 84 1HB LEU 11 1HB LEU 11 3.544 -1.078 4.639 85 2HB LEU 11 2HB LEU 11 3.949 -1.579 6.179 86 HG LEU 11 HG LEU 11 1.276 -0.592 5.229 87 1HD1 LEU 11 1HD1 LEU 11 1.430 -2.414 7.568 88 2HD1 LEU 11 2HD1 LEU 11 2.377 -2.979 6.199 89 3HD1 LEU 11 3HD1 LEU 11 0.645 -2.585 5.986 90 1HD2 LEU 11 1HD2 LEU 11 2.540 0.196 7.869 91 2HD2 LEU 11 2HD2 LEU 11 0.829 -0.350 7.948 92 3HD2 LEU 11 3HD2 LEU 11 1.251 1.019 6.954 93 H SER 12 H SER 12 6.257 -0.914 5.721 94 HA SER 12 HA SER 12 7.125 -0.216 8.528 95 1HB SER 12 1HB SER 12 8.195 -2.732 7.433 96 2HB SER 12 2HB SER 12 7.750 -2.250 9.055 97 HG SER 12 HG SER 12 5.852 -3.122 8.682 98 H ASN 13 H ASN 13 9.548 -1.142 8.664 99 HA ASN 13 HA ASN 13 11.395 -0.708 6.570 100 1HB ASN 13 1HB ASN 13 10.720 1.650 6.614 101 2HB ASN 13 2HB ASN 13 10.811 1.703 8.382 102 1HD2 ASN 13 1HD2 ASN 13 12.771 1.451 5.427 103 2HD2 ASN 13 2HD2 ASN 13 14.260 1.902 6.180 104 H GLU 14 H GLU 14 12.560 -2.294 7.459 105 HA GLU 14 HA GLU 14 13.255 -2.370 10.370 106 1HB GLU 14 1HB GLU 14 12.662 -4.286 8.288 107 2HB GLU 14 2HB GLU 14 14.144 -4.625 9.212 108 1HG GLU 14 1HG GLU 14 12.076 -5.645 10.173 109 2HG GLU 14 2HG GLU 14 12.937 -4.625 11.323 110 H ASN 15 H ASN 15 15.304 -2.686 11.034 111 HA ASN 15 HA ASN 15 17.625 -2.177 11.134 112 1HB ASN 15 1HB ASN 15 16.953 -4.526 9.758 113 2HB ASN 15 2HB ASN 15 18.397 -3.894 8.981 114 1HD2 ASN 15 1HD2 ASN 15 20.329 -4.001 9.885 115 2HD2 ASN 15 2HD2 ASN 15 20.675 -4.644 11.436 116 H PHE 16 H PHE 16 16.262 -0.276 9.360 117 HA PHE 16 HA PHE 16 17.765 0.102 6.928 118 1HB PHE 16 1HB PHE 16 15.473 0.895 7.496 119 2HB PHE 16 2HB PHE 16 16.176 2.118 8.515 120 HD1 PHE 16 HD1 PHE 16 16.227 4.238 7.578 121 HD2 PHE 16 HD2 PHE 16 16.978 0.841 4.991 122 HE1 PHE 16 HE1 PHE 16 16.569 5.729 5.677 123 HE2 PHE 16 HE2 PHE 16 17.313 2.364 3.074 124 HZ PHE 16 HZ PHE 16 17.111 4.802 3.401 125 H GLU 17 H GLU 17 18.275 1.310 10.245 126 HA GLU 17 HA GLU 17 20.123 3.433 9.493 127 1HB GLU 17 1HB GLU 17 19.199 2.227 12.006 128 2HB GLU 17 2HB GLU 17 20.743 3.082 12.057 129 1HG GLU 17 1HG GLU 17 19.122 4.710 12.503 130 2HG GLU 17 2HG GLU 17 19.391 4.994 10.791 131 H GLU 18 H GLU 18 20.417 0.072 10.548 132 HA GLU 18 HA GLU 18 23.361 0.090 10.776 133 1HB GLU 18 1HB GLU 18 21.194 -1.675 11.404 134 2HB GLU 18 2HB GLU 18 22.415 -2.556 10.382 135 1HG GLU 18 1HG GLU 18 24.138 -2.240 11.958 136 2HG GLU 18 2HG GLU 18 23.372 -0.840 12.672 137 H TYR 19 H TYR 19 20.984 -0.277 8.340 138 HA TYR 19 HA TYR 19 22.572 -1.695 6.310 139 1HB TYR 19 1HB TYR 19 20.336 -1.835 5.954 140 2HB TYR 19 2HB TYR 19 19.974 -0.179 6.326 141 HD1 TYR 19 HD1 TYR 19 21.124 -2.409 3.557 142 HD2 TYR 19 HD2 TYR 19 20.338 1.709 4.683 143 HE1 TYR 19 HE1 TYR 19 21.144 -1.717 1.194 144 HE2 TYR 19 HE2 TYR 19 20.358 2.334 2.321 145 HH TYR 19 HH TYR 19 19.828 0.911 0.074 146 H LEU 20 H LEU 20 22.122 1.742 7.267 147 HA LEU 20 HA LEU 20 23.688 2.755 5.015 148 1HB LEU 20 1HB LEU 20 22.908 4.235 7.544 149 2HB LEU 20 2HB LEU 20 23.608 4.871 6.118 150 HG LEU 20 HG LEU 20 20.853 3.504 6.236 151 1HD1 LEU 20 1HD1 LEU 20 20.022 5.950 6.218 152 2HD1 LEU 20 2HD1 LEU 20 21.682 6.413 6.686 153 3HD1 LEU 20 3HD1 LEU 20 20.736 5.389 7.748 154 1HD2 LEU 20 1HD2 LEU 20 20.658 5.274 4.194 155 2HD2 LEU 20 2HD2 LEU 20 21.164 3.619 3.902 156 3HD2 LEU 20 3HD2 LEU 20 22.384 4.918 4.019 157 H ARG 21 H ARG 21 24.138 1.688 8.266 158 HA ARG 21 HA ARG 21 26.755 2.801 8.757 159 1HB ARG 21 1HB ARG 21 25.216 2.148 10.604 160 2HB ARG 21 2HB ARG 21 25.279 0.504 10.020 161 1HG ARG 21 1HG ARG 21 27.538 0.198 10.692 162 2HG ARG 21 2HG ARG 21 27.848 1.967 10.700 163 1HD ARG 21 1HD ARG 21 25.826 1.591 12.651 164 2HD ARG 21 2HD ARG 21 26.986 0.313 12.982 165 HE ARG 21 HE ARG 21 28.577 2.525 12.594 166 1HH1 ARG 21 1HH1 ARG 21 25.904 1.604 14.736 167 2HH1 ARG 21 2HH1 ARG 21 26.435 2.560 16.057 168 1HH2 ARG 21 1HH2 ARG 21 29.310 3.807 14.377 169 2HH2 ARG 21 2HH2 ARG 21 28.464 3.862 15.874 170 H ALA 22 H ALA 22 25.372 -0.145 7.537 171 HA ALA 22 HA ALA 22 27.743 -1.845 7.306 172 1HB ALA 22 1HB ALA 22 25.453 -2.778 7.428 173 2HB ALA 22 2HB ALA 22 26.326 -3.242 5.938 174 3HB ALA 22 3HB ALA 22 25.040 -1.971 5.873 175 H LEU 23 H LEU 23 26.123 0.501 5.226 176 HA LEU 23 HA LEU 23 27.836 -0.242 2.905 177 1HB LEU 23 1HB LEU 23 25.711 1.869 3.151 178 2HB LEU 23 2HB LEU 23 26.729 1.690 1.817 179 HG LEU 23 HG LEU 23 25.176 -0.737 2.751 180 1HD1 LEU 23 1HD1 LEU 23 23.271 0.370 2.752 181 2HD1 LEU 23 2HD1 LEU 23 23.427 0.549 0.979 182 3HD1 LEU 23 3HD1 LEU 23 23.984 1.838 2.035 183 1HD2 LEU 23 1HD2 LEU 23 24.958 -0.333 -0.120 184 2HD2 LEU 23 2HD2 LEU 23 25.976 -1.545 0.703 185 3HD2 LEU 23 3HD2 LEU 23 26.605 0.071 0.311 186 H ASP 24 H ASP 24 28.289 1.336 5.713 187 HA ASP 24 HA ASP 24 29.720 2.969 6.620 188 1HB ASP 24 1HB ASP 24 31.284 2.496 4.117 189 2HB ASP 24 2HB ASP 24 31.778 3.300 5.603 190 H VAL 25 H VAL 25 27.434 4.151 5.181 191 HA VAL 25 HA VAL 25 28.585 6.381 3.709 192 HB VAL 25 HB VAL 25 26.441 7.098 3.231 193 1HG1 VAL 25 1HG1 VAL 25 26.956 4.636 2.540 194 2HG1 VAL 25 2HG1 VAL 25 25.231 5.085 2.516 195 3HG1 VAL 25 3HG1 VAL 25 25.936 4.167 3.881 196 1HG2 VAL 25 1HG2 VAL 25 25.690 7.283 5.677 197 2HG2 VAL 25 2HG2 VAL 25 25.566 5.533 5.753 198 3HG2 VAL 25 3HG2 VAL 25 24.424 6.459 4.718 199 H ASN 26 H ASN 26 27.600 8.618 4.602 200 HA ASN 26 HA ASN 26 28.990 9.249 7.029 201 1HB ASN 26 1HB ASN 26 27.285 10.996 5.342 202 2HB ASN 26 2HB ASN 26 28.358 11.472 6.652 203 1HD2 ASN 26 1HD2 ASN 26 29.543 12.794 5.032 204 2HD2 ASN 26 2HD2 ASN 26 30.715 12.002 4.004 205 H VAL 27 H VAL 27 28.244 10.453 8.749 206 HA VAL 27 HA VAL 27 26.029 9.328 10.160 207 HB VAL 27 HB VAL 27 26.676 10.585 12.004 208 1HG1 VAL 27 1HG1 VAL 27 29.472 10.151 11.133 209 2HG1 VAL 27 2HG1 VAL 27 28.377 8.835 10.645 210 3HG1 VAL 27 3HG1 VAL 27 28.567 9.312 12.367 211 1HG2 VAL 27 1HG2 VAL 27 28.074 12.274 9.897 212 2HG2 VAL 27 2HG2 VAL 27 28.859 12.140 11.479 213 3HG2 VAL 27 3HG2 VAL 27 27.224 12.840 11.368 214 H ALA 28 H ALA 28 26.532 12.471 8.450 215 HA ALA 28 HA ALA 28 24.225 13.755 9.579 216 1HB ALA 28 1HB ALA 28 26.095 14.932 8.481 217 2HB ALA 28 2HB ALA 28 24.427 15.353 7.894 218 3HB ALA 28 3HB ALA 28 25.485 14.319 6.893 219 H LEU 29 H LEU 29 24.823 11.570 6.937 220 HA LEU 29 HA LEU 29 22.440 12.011 5.407 221 1HB LEU 29 1HB LEU 29 24.198 11.168 4.259 222 2HB LEU 29 2HB LEU 29 24.477 9.839 5.385 223 HG LEU 29 HG LEU 29 22.438 8.723 4.636 224 1HD1 LEU 29 1HD1 LEU 29 20.798 10.126 3.934 225 2HD1 LEU 29 2HD1 LEU 29 21.484 9.899 2.329 226 3HD1 LEU 29 3HD1 LEU 29 21.932 11.340 3.278 227 1HD2 LEU 29 1HD2 LEU 29 24.795 9.151 3.089 228 2HD2 LEU 29 2HD2 LEU 29 23.473 9.128 1.924 229 3HD2 LEU 29 3HD2 LEU 29 23.698 7.759 3.043 230 H ARG 30 H ARG 30 23.487 9.661 7.874 231 HA ARG 30 HA ARG 30 21.083 8.045 7.939 232 1HB ARG 30 1HB ARG 30 23.149 7.168 8.485 233 2HB ARG 30 2HB ARG 30 23.468 8.391 9.740 234 1HG ARG 30 1HG ARG 30 21.204 7.315 10.765 235 2HG ARG 30 2HG ARG 30 21.667 5.969 9.762 236 1HD ARG 30 1HD ARG 30 23.159 5.324 11.333 237 2HD ARG 30 2HD ARG 30 24.061 6.781 11.100 238 HE ARG 30 HE ARG 30 22.338 7.853 12.720 239 1HH1 ARG 30 1HH1 ARG 30 23.268 4.418 13.008 240 2HH1 ARG 30 2HH1 ARG 30 22.968 4.368 14.690 241 1HH2 ARG 30 1HH2 ARG 30 21.932 7.714 14.982 242 2HH2 ARG 30 2HH2 ARG 30 22.196 6.204 15.766 243 H LYS 31 H LYS 31 22.017 11.089 9.353 244 HA LYS 31 HA LYS 31 20.254 11.000 11.682 245 1HB LYS 31 1HB LYS 31 22.290 12.688 10.652 246 2HB LYS 31 2HB LYS 31 20.860 13.686 10.706 247 1HG LYS 31 1HG LYS 31 21.994 12.035 13.051 248 2HG LYS 31 2HG LYS 31 22.206 13.768 12.826 249 1HD LYS 31 1HD LYS 31 19.970 14.288 13.316 250 2HD LYS 31 2HD LYS 31 19.411 12.742 12.675 251 1HE LYS 31 1HE LYS 31 21.117 12.180 14.939 252 2HE LYS 31 2HE LYS 31 19.792 13.305 15.420 253 1HZ LYS 31 1HZ LYS 31 19.635 10.558 15.102 254 2HZ LYS 31 2HZ LYS 31 18.799 11.194 13.782 255 3HZ LYS 31 3HZ LYS 31 18.379 11.657 15.337 256 H ILE 32 H ILE 32 20.150 12.471 8.500 257 HA ILE 32 HA ILE 32 17.455 13.524 8.751 258 HB ILE 32 HB ILE 32 19.130 13.117 6.254 259 1HG1 ILE 32 1HG1 ILE 32 19.861 14.658 8.358 260 2HG1 ILE 32 2HG1 ILE 32 20.411 14.878 6.694 261 1HG2 ILE 32 1HG2 ILE 32 16.728 14.932 6.828 262 2HG2 ILE 32 2HG2 ILE 32 16.699 13.505 5.772 263 3HG2 ILE 32 3HG2 ILE 32 17.661 14.913 5.287 264 1HD1 ILE 32 1HD1 ILE 32 19.758 17.014 6.940 265 2HD1 ILE 32 2HD1 ILE 32 18.709 16.677 8.350 266 3HD1 ILE 32 3HD1 ILE 32 18.088 16.493 6.728 267 H ALA 33 H ALA 33 19.054 10.894 7.008 268 HA ALA 33 HA ALA 33 16.930 9.927 5.447 269 1HB ALA 33 1HB ALA 33 18.246 7.782 5.349 270 2HB ALA 33 2HB ALA 33 19.317 8.434 6.597 271 3HB ALA 33 3HB ALA 33 19.213 9.289 5.054 272 H ASN 34 H ASN 34 17.507 9.080 8.949 273 HA ASN 34 HA ASN 34 15.758 6.809 8.938 274 1HB ASN 34 1HB ASN 34 17.121 6.670 10.535 275 2HB ASN 34 2HB ASN 34 17.207 8.426 10.854 276 1HD2 ASN 34 1HD2 ASN 34 16.652 8.715 12.971 277 2HD2 ASN 34 2HD2 ASN 34 15.281 8.026 13.743 278 H LEU 35 H LEU 35 15.092 10.168 10.157 279 HA LEU 35 HA LEU 35 12.427 9.683 10.937 280 1HB LEU 35 1HB LEU 35 12.045 12.039 10.850 281 2HB LEU 35 2HB LEU 35 13.511 11.520 11.682 282 HG LEU 35 HG LEU 35 14.275 12.011 9.020 283 1HD1 LEU 35 1HD1 LEU 35 12.441 14.101 10.191 284 2HD1 LEU 35 2HD1 LEU 35 12.595 13.626 8.493 285 3HD1 LEU 35 3HD1 LEU 35 13.796 14.710 9.277 286 1HD2 LEU 35 1HD2 LEU 35 14.913 13.818 11.452 287 2HD2 LEU 35 2HD2 LEU 35 15.998 13.317 10.154 288 3HD2 LEU 35 3HD2 LEU 35 15.477 12.119 11.320 289 H LEU 36 H LEU 36 13.701 9.948 7.631 290 HA LEU 36 HA LEU 36 11.108 10.596 6.466 291 1HB LEU 36 1HB LEU 36 13.925 10.106 5.458 292 2HB LEU 36 2HB LEU 36 12.647 9.974 4.364 293 HG LEU 36 HG LEU 36 13.381 12.443 6.019 294 1HD1 LEU 36 1HD1 LEU 36 14.204 13.389 3.901 295 2HD1 LEU 36 2HD1 LEU 36 13.715 11.956 2.981 296 3HD1 LEU 36 3HD1 LEU 36 15.009 11.853 4.194 297 1HD2 LEU 36 1HD2 LEU 36 11.684 13.709 4.786 298 2HD2 LEU 36 2HD2 LEU 36 10.886 12.203 5.294 299 3HD2 LEU 36 3HD2 LEU 36 11.409 12.391 3.644 300 H LYS 37 H LYS 37 10.262 9.334 4.637 301 HA LYS 37 HA LYS 37 10.996 6.498 4.387 302 1HB LYS 37 1HB LYS 37 8.109 6.697 4.610 303 2HB LYS 37 2HB LYS 37 9.247 5.541 5.340 304 1HG LYS 37 1HG LYS 37 9.743 7.547 7.041 305 2HG LYS 37 2HG LYS 37 8.085 8.026 6.592 306 1HD LYS 37 1HD LYS 37 7.429 5.524 7.190 307 2HD LYS 37 2HD LYS 37 9.025 5.416 7.930 308 1HE LYS 37 1HE LYS 37 7.678 6.101 9.719 309 2HE LYS 37 2HE LYS 37 8.399 7.640 9.191 310 1HZ LYS 37 1HZ LYS 37 5.943 6.845 7.852 311 2HZ LYS 37 2HZ LYS 37 6.395 8.385 8.401 312 3HZ LYS 37 3HZ LYS 37 5.754 7.287 9.480 313 HA PRO 38 HA PRO 38 9.684 8.545 0.534 314 1HB PRO 38 1HB PRO 38 11.028 6.879 -1.185 315 2HB PRO 38 2HB PRO 38 11.846 8.197 -0.307 316 1HG PRO 38 1HG PRO 38 11.702 5.222 0.272 317 2HG PRO 38 2HG PRO 38 13.039 6.366 0.498 318 1HD PRO 38 1HD PRO 38 11.331 5.382 2.502 319 2HD PRO 38 2HD PRO 38 12.351 6.840 2.680 320 H ASP 39 H ASP 39 8.023 8.297 -0.791 321 HA ASP 39 HA ASP 39 6.672 5.614 -0.754 322 1HB ASP 39 1HB ASP 39 5.030 7.065 -2.318 323 2HB ASP 39 2HB ASP 39 4.909 6.992 -0.550 324 H LYS 40 H LYS 40 7.042 4.209 -2.324 325 HA LYS 40 HA LYS 40 8.489 5.034 -4.740 326 1HB LYS 40 1HB LYS 40 8.596 2.753 -3.162 327 2HB LYS 40 2HB LYS 40 7.509 2.244 -4.450 328 1HG LYS 40 1HG LYS 40 9.158 2.908 -6.206 329 2HG LYS 40 2HG LYS 40 10.249 3.458 -4.932 330 1HD LYS 40 1HD LYS 40 11.169 1.461 -4.960 331 2HD LYS 40 2HD LYS 40 9.730 0.954 -4.017 332 1HE LYS 40 1HE LYS 40 8.618 0.566 -6.372 333 2HE LYS 40 2HE LYS 40 10.241 0.555 -6.990 334 1HZ LYS 40 1HZ LYS 40 9.080 -1.278 -4.976 335 2HZ LYS 40 2HZ LYS 40 10.718 -1.355 -5.422 336 3HZ LYS 40 3HZ LYS 40 9.517 -1.687 -6.540 337 H GLU 41 H GLU 41 7.789 4.327 -6.850 338 HA GLU 41 HA GLU 41 4.951 3.773 -7.292 339 1HB GLU 41 1HB GLU 41 5.653 6.435 -7.109 340 2HB GLU 41 2HB GLU 41 6.054 6.127 -8.825 341 1HG GLU 41 1HG GLU 41 3.528 5.110 -8.869 342 2HG GLU 41 2HG GLU 41 3.342 5.988 -7.379 343 H ILE 42 H ILE 42 4.972 2.366 -8.995 344 HA ILE 42 HA ILE 42 7.518 2.300 -10.615 345 HB ILE 42 HB ILE 42 5.410 0.209 -10.117 346 1HG1 ILE 42 1HG1 ILE 42 8.320 -0.188 -9.529 347 2HG1 ILE 42 2HG1 ILE 42 7.416 0.894 -8.469 348 1HG2 ILE 42 1HG2 ILE 42 6.284 0.100 -12.489 349 2HG2 ILE 42 2HG2 ILE 42 7.066 -1.252 -11.609 350 3HG2 ILE 42 3HG2 ILE 42 7.943 0.234 -11.967 351 1HD1 ILE 42 1HD1 ILE 42 6.303 -0.815 -7.399 352 2HD1 ILE 42 2HD1 ILE 42 7.550 -1.823 -8.076 353 3HD1 ILE 42 3HD1 ILE 42 5.991 -1.650 -8.955 354 H VAL 43 H VAL 43 7.596 2.313 -12.797 355 HA VAL 43 HA VAL 43 4.993 2.512 -14.241 356 HB VAL 43 HB VAL 43 7.332 4.385 -14.763 357 1HG1 VAL 43 1HG1 VAL 43 4.808 5.322 -15.857 358 2HG1 VAL 43 2HG1 VAL 43 4.965 3.586 -16.270 359 3HG1 VAL 43 3HG1 VAL 43 6.190 4.767 -16.774 360 1HG2 VAL 43 1HG2 VAL 43 6.267 5.088 -12.603 361 2HG2 VAL 43 2HG2 VAL 43 4.620 4.968 -13.303 362 3HG2 VAL 43 3HG2 VAL 43 5.747 6.216 -13.847 363 H GLN 44 H GLN 44 5.128 1.470 -16.171 364 HA GLN 44 HA GLN 44 7.717 0.612 -17.320 365 1HB GLN 44 1HB GLN 44 7.278 -1.125 -15.637 366 2HB GLN 44 2HB GLN 44 5.643 -1.336 -16.192 367 1HG GLN 44 1HG GLN 44 7.167 -1.790 -18.538 368 2HG GLN 44 2HG GLN 44 8.145 -2.552 -17.255 369 1HE2 GLN 44 1HE2 GLN 44 7.276 -4.120 -15.883 370 2HE2 GLN 44 2HE2 GLN 44 5.955 -5.074 -16.418 371 H ASP 45 H ASP 45 7.446 1.024 -19.412 372 HA ASP 45 HA ASP 45 4.786 1.185 -20.664 373 1HB ASP 45 1HB ASP 45 5.869 2.664 -21.951 374 2HB ASP 45 2HB ASP 45 7.396 2.226 -21.109 375 H GLY 46 H GLY 46 7.621 -0.927 -20.776 376 1HA GLY 46 1HA GLY 46 6.006 -3.203 -21.377 377 2HA GLY 46 2HA GLY 46 6.793 -2.608 -22.917 378 H ASP 47 H ASP 47 9.141 -2.710 -23.040 379 HA ASP 47 HA ASP 47 10.349 -4.578 -20.993 380 1HB ASP 47 1HB ASP 47 11.602 -3.715 -23.595 381 2HB ASP 47 2HB ASP 47 11.993 -5.081 -22.537 382 H HIS 48 H HIS 48 9.781 -1.534 -20.881 383 HA HIS 48 HA HIS 48 12.546 -0.806 -19.897 384 1HB HIS 48 1HB HIS 48 12.587 0.604 -21.624 385 2HB HIS 48 2HB HIS 48 10.814 0.641 -21.802 386 HD1 HIS 48 HD1 HIS 48 9.680 2.735 -20.746 387 HD2 HIS 48 HD2 HIS 48 13.613 2.234 -19.453 388 HE1 HIS 48 HE1 HIS 48 10.217 4.816 -19.377 389 HE2 HIS 48 HE2 HIS 48 12.642 4.475 -18.614 390 H MET 49 H MET 49 12.481 -0.529 -17.817 391 HA MET 49 HA MET 49 9.801 0.209 -16.614 392 1HB MET 49 1HB MET 49 10.996 -2.091 -16.307 393 2HB MET 49 2HB MET 49 12.057 -1.175 -15.233 394 1HG MET 49 1HG MET 49 10.492 -0.738 -13.638 395 2HG MET 49 2HG MET 49 9.154 -0.738 -14.799 396 1HE MET 49 1HE MET 49 11.947 -3.184 -14.615 397 2HE MET 49 2HE MET 49 11.269 -4.750 -14.043 398 3HE MET 49 3HE MET 49 11.745 -3.457 -12.862 399 H ILE 50 H ILE 50 9.755 2.016 -15.392 400 HA ILE 50 HA ILE 50 12.308 3.252 -14.481 401 HB ILE 50 HB ILE 50 9.625 4.668 -14.847 402 1HG1 ILE 50 1HG1 ILE 50 11.912 4.708 -16.809 403 2HG1 ILE 50 2HG1 ILE 50 10.501 3.691 -17.036 404 1HG2 ILE 50 1HG2 ILE 50 11.506 6.660 -15.017 405 2HG2 ILE 50 2HG2 ILE 50 12.629 5.391 -14.477 406 3HG2 ILE 50 3HG2 ILE 50 11.292 5.852 -13.433 407 1HD1 ILE 50 1HD1 ILE 50 10.673 6.297 -18.020 408 2HD1 ILE 50 2HD1 ILE 50 9.890 6.607 -16.451 409 3HD1 ILE 50 3HD1 ILE 50 9.134 5.564 -17.645 410 H ILE 51 H ILE 51 12.537 3.142 -12.401 411 HA ILE 51 HA ILE 51 10.208 2.643 -10.589 412 HB ILE 51 HB ILE 51 13.200 2.255 -10.306 413 1HG1 ILE 51 1HG1 ILE 51 12.762 -0.021 -9.943 414 2HG1 ILE 51 2HG1 ILE 51 11.208 0.320 -9.231 415 1HG2 ILE 51 1HG2 ILE 51 12.851 3.255 -8.147 416 2HG2 ILE 51 2HG2 ILE 51 12.143 1.687 -7.726 417 3HG2 ILE 51 3HG2 ILE 51 11.103 3.013 -8.214 418 1HD1 ILE 51 1HD1 ILE 51 10.204 0.749 -11.515 419 2HD1 ILE 51 2HD1 ILE 51 10.901 -0.849 -11.435 420 3HD1 ILE 51 3HD1 ILE 51 11.779 0.498 -12.232 421 H ARG 52 H ARG 52 9.345 4.514 -9.973 422 HA ARG 52 HA ARG 52 11.091 6.866 -9.565 423 1HB ARG 52 1HB ARG 52 8.577 6.474 -10.825 424 2HB ARG 52 2HB ARG 52 8.302 7.525 -9.403 425 1HG ARG 52 1HG ARG 52 10.074 9.074 -10.213 426 2HG ARG 52 2HG ARG 52 10.501 7.970 -11.535 427 1HD ARG 52 1HD ARG 52 8.372 8.345 -12.670 428 2HD ARG 52 2HD ARG 52 7.750 9.161 -11.254 429 HE ARG 52 HE ARG 52 10.161 10.411 -12.350 430 1HH1 ARG 52 1HH1 ARG 52 6.563 10.354 -12.660 431 2HH1 ARG 52 2HH1 ARG 52 6.573 11.912 -13.378 432 1HH2 ARG 52 1HH2 ARG 52 9.999 12.403 -13.279 433 2HH2 ARG 52 2HH2 ARG 52 8.514 13.121 -13.764 434 H THR 53 H THR 53 11.393 7.646 -7.613 435 HA THR 53 HA THR 53 9.564 6.878 -5.358 436 HB THR 53 HB THR 53 12.483 7.575 -4.921 437 HG1 THR 53 HG1 THR 53 13.112 5.486 -5.426 438 1HG2 THR 53 1HG2 THR 53 10.542 6.838 -3.196 439 2HG2 THR 53 2HG2 THR 53 12.142 6.077 -2.929 440 3HG2 THR 53 3HG2 THR 53 10.862 5.181 -3.733 441 H LEU 54 H LEU 54 8.958 8.689 -4.219 442 HA LEU 54 HA LEU 54 9.969 11.324 -5.248 443 1HB LEU 54 1HB LEU 54 7.259 10.417 -4.653 444 2HB LEU 54 2HB LEU 54 7.760 12.108 -4.735 445 HG LEU 54 HG LEU 54 8.958 11.143 -6.975 446 1HD1 LEU 54 1HD1 LEU 54 6.612 9.249 -6.551 447 2HD1 LEU 54 2HD1 LEU 54 8.287 8.869 -6.905 448 3HD1 LEU 54 3HD1 LEU 54 7.260 9.646 -8.141 449 1HD2 LEU 54 1HD2 LEU 54 6.204 11.706 -7.799 450 2HD2 LEU 54 2HD2 LEU 54 7.622 12.783 -7.807 451 3HD2 LEU 54 3HD2 LEU 54 6.593 12.744 -6.389 452 H SER 55 H SER 55 11.362 11.724 -3.444 453 HA SER 55 HA SER 55 9.891 12.642 -1.018 454 1HB SER 55 1HB SER 55 12.310 12.333 0.056 455 2HB SER 55 2HB SER 55 11.351 10.860 -0.205 456 HG SER 55 HG SER 55 13.558 11.848 -1.652 457 H THR 56 H THR 56 10.511 14.790 -0.311 458 HA THR 56 HA THR 56 11.548 16.487 -2.459 459 HB THR 56 HB THR 56 11.849 18.072 -0.228 460 HG1 THR 56 HG1 THR 56 10.490 17.473 1.307 461 1HG2 THR 56 1HG2 THR 56 9.480 18.982 -0.778 462 2HG2 THR 56 2HG2 THR 56 9.249 17.522 -1.769 463 3HG2 THR 56 3HG2 THR 56 10.434 18.711 -2.249 464 H PHE 57 H PHE 57 12.895 14.537 -0.018 465 HA PHE 57 HA PHE 57 15.489 15.966 0.103 466 1HB PHE 57 1HB PHE 57 14.823 15.147 2.214 467 2HB PHE 57 2HB PHE 57 14.301 13.567 1.557 468 HD1 PHE 57 HD1 PHE 57 17.042 15.624 2.695 469 HD2 PHE 57 HD2 PHE 57 16.098 11.821 0.892 470 HE1 PHE 57 HE1 PHE 57 19.342 14.780 3.238 471 HE2 PHE 57 HE2 PHE 57 18.361 10.986 1.411 472 HZ PHE 57 HZ PHE 57 19.957 12.462 2.585 473 H ARG 58 H ARG 58 16.635 15.658 -1.629 474 HA ARG 58 HA ARG 58 17.517 14.781 -3.590 475 1HB ARG 58 1HB ARG 58 19.093 14.223 -1.770 476 2HB ARG 58 2HB ARG 58 18.286 12.718 -1.481 477 1HG ARG 58 1HG ARG 58 20.347 12.490 -2.841 478 2HG ARG 58 2HG ARG 58 18.914 11.959 -3.780 479 1HD ARG 58 1HD ARG 58 20.414 13.458 -5.173 480 2HD ARG 58 2HD ARG 58 18.772 14.029 -4.954 481 HE ARG 58 HE ARG 58 20.754 14.974 -2.939 482 1HH1 ARG 58 1HH1 ARG 58 19.015 15.800 -5.969 483 2HH1 ARG 58 2HH1 ARG 58 19.369 17.469 -5.759 484 1HH2 ARG 58 1HH2 ARG 58 21.137 17.185 -2.796 485 2HH2 ARG 58 2HH2 ARG 58 20.519 18.274 -4.019 486 H ASN 59 H ASN 59 15.879 14.354 -4.901 487 HA ASN 59 HA ASN 59 14.103 12.215 -4.960 488 1HB ASN 59 1HB ASN 59 14.408 12.357 -7.565 489 2HB ASN 59 2HB ASN 59 13.583 13.632 -6.634 490 1HD2 ASN 59 1HD2 ASN 59 14.019 15.093 -8.378 491 2HD2 ASN 59 2HD2 ASN 59 15.576 15.853 -8.560 492 H TYR 60 H TYR 60 14.258 10.192 -5.073 493 HA TYR 60 HA TYR 60 16.770 8.912 -6.017 494 1HB TYR 60 1HB TYR 60 15.565 8.550 -3.648 495 2HB TYR 60 2HB TYR 60 14.721 7.288 -4.629 496 HD1 TYR 60 HD1 TYR 60 17.457 7.740 -2.584 497 HD2 TYR 60 HD2 TYR 60 16.451 6.017 -6.393 498 HE1 TYR 60 HE1 TYR 60 19.410 6.272 -2.414 499 HE2 TYR 60 HE2 TYR 60 18.386 4.574 -6.248 500 HH TYR 60 HH TYR 60 20.379 4.543 -3.268 501 H ILE 61 H ILE 61 16.098 9.339 -8.255 502 HA ILE 61 HA ILE 61 13.816 7.597 -9.100 503 HB ILE 61 HB ILE 61 15.199 9.413 -11.006 504 1HG1 ILE 61 1HG1 ILE 61 14.964 10.865 -9.125 505 2HG1 ILE 61 2HG1 ILE 61 13.884 11.347 -10.392 506 1HG2 ILE 61 1HG2 ILE 61 13.398 8.700 -12.282 507 2HG2 ILE 61 2HG2 ILE 61 12.358 9.660 -11.245 508 3HG2 ILE 61 3HG2 ILE 61 12.599 7.937 -10.897 509 1HD1 ILE 61 1HD1 ILE 61 12.070 9.921 -8.935 510 2HD1 ILE 61 2HD1 ILE 61 12.528 11.553 -8.360 511 3HD1 ILE 61 3HD1 ILE 61 13.216 10.118 -7.612 512 H MET 62 H MET 62 14.247 5.833 -10.338 513 HA MET 62 HA MET 62 16.948 5.413 -11.558 514 1HB MET 62 1HB MET 62 15.555 2.936 -10.840 515 2HB MET 62 2HB MET 62 17.203 3.423 -10.519 516 1HG MET 62 1HG MET 62 16.323 4.732 -8.501 517 2HG MET 62 2HG MET 62 14.720 3.995 -8.851 518 1HE MET 62 1HE MET 62 18.304 3.625 -8.008 519 2HE MET 62 2HE MET 62 18.599 1.856 -8.042 520 3HE MET 62 3HE MET 62 18.054 2.681 -6.526 521 H ASP 63 H ASP 63 16.922 4.174 -13.353 522 HA ASP 63 HA ASP 63 14.256 3.652 -14.553 523 1HB ASP 63 1HB ASP 63 15.537 4.220 -16.845 524 2HB ASP 63 2HB ASP 63 15.049 5.588 -15.803 525 H PHE 64 H PHE 64 14.385 1.792 -16.006 526 HA PHE 64 HA PHE 64 16.806 0.122 -15.884 527 1HB PHE 64 1HB PHE 64 14.125 -0.557 -14.610 528 2HB PHE 64 2HB PHE 64 15.183 -1.837 -15.294 529 HD1 PHE 64 HD1 PHE 64 14.255 -1.674 -12.488 530 HD2 PHE 64 HD2 PHE 64 17.815 -0.090 -14.277 531 HE1 PHE 64 HE1 PHE 64 15.361 -1.808 -10.329 532 HE2 PHE 64 HE2 PHE 64 18.968 -0.191 -12.168 533 HZ PHE 64 HZ PHE 64 17.760 -1.074 -10.121 534 H GLN 65 H GLN 65 16.557 -1.945 -16.968 535 HA GLN 65 HA GLN 65 14.694 -1.981 -19.326 536 1HB GLN 65 1HB GLN 65 17.591 -2.825 -19.379 537 2HB GLN 65 2HB GLN 65 16.588 -2.474 -20.772 538 1HG GLN 65 1HG GLN 65 17.427 -0.241 -18.820 539 2HG GLN 65 2HG GLN 65 18.409 -0.738 -20.218 540 1HE2 GLN 65 1HE2 GLN 65 16.254 1.583 -19.280 541 2HE2 GLN 65 2HE2 GLN 65 15.554 1.957 -20.838 542 H VAL 66 H VAL 66 13.664 -3.752 -19.050 543 HA VAL 66 HA VAL 66 14.481 -5.881 -17.263 544 HB VAL 66 HB VAL 66 12.180 -5.640 -19.184 545 1HG1 VAL 66 1HG1 VAL 66 12.088 -7.874 -19.171 546 2HG1 VAL 66 2HG1 VAL 66 11.405 -7.671 -17.529 547 3HG1 VAL 66 3HG1 VAL 66 13.107 -8.091 -17.733 548 1HG2 VAL 66 1HG2 VAL 66 12.706 -5.024 -16.258 549 2HG2 VAL 66 2HG2 VAL 66 11.177 -5.824 -16.542 550 3HG2 VAL 66 3HG2 VAL 66 11.499 -4.308 -17.359 551 H GLY 67 H GLY 67 15.507 -7.687 -17.664 552 1HA GLY 67 1HA GLY 67 16.383 -9.548 -18.709 553 2HA GLY 67 2HA GLY 67 15.669 -9.076 -20.229 554 H LYS 68 H LYS 68 17.168 -6.318 -19.521 555 HA LYS 68 HA LYS 68 19.662 -7.212 -20.896 556 1HB LYS 68 1HB LYS 68 18.023 -5.761 -22.133 557 2HB LYS 68 2HB LYS 68 18.383 -4.506 -20.961 558 1HG LYS 68 1HG LYS 68 20.707 -5.803 -22.422 559 2HG LYS 68 2HG LYS 68 19.748 -4.609 -23.298 560 1HD LYS 68 1HD LYS 68 20.119 -3.404 -20.794 561 2HD LYS 68 2HD LYS 68 21.659 -4.206 -21.139 562 1HE LYS 68 1HE LYS 68 21.530 -3.129 -23.514 563 2HE LYS 68 2HE LYS 68 20.289 -2.056 -22.853 564 1HZ LYS 68 1HZ LYS 68 22.076 -0.834 -22.540 565 2HZ LYS 68 2HZ LYS 68 23.116 -2.128 -22.157 566 3HZ LYS 68 3HZ LYS 68 22.005 -1.541 -21.028 567 H GLU 69 H GLU 69 21.465 -7.003 -19.897 568 HA GLU 69 HA GLU 69 21.931 -6.370 -17.284 569 1HB GLU 69 1HB GLU 69 23.471 -7.373 -18.903 570 2HB GLU 69 2HB GLU 69 23.912 -5.728 -19.455 571 1HG GLU 69 1HG GLU 69 24.702 -5.131 -17.230 572 2HG GLU 69 2HG GLU 69 24.239 -6.700 -16.567 573 H PHE 70 H PHE 70 22.415 -4.709 -16.024 574 HA PHE 70 HA PHE 70 22.168 -1.954 -17.188 575 1HB PHE 70 1HB PHE 70 20.257 -3.063 -15.809 576 2HB PHE 70 2HB PHE 70 21.271 -2.759 -14.409 577 HD1 PHE 70 HD1 PHE 70 21.455 -0.652 -13.391 578 HD2 PHE 70 HD2 PHE 70 19.581 -1.008 -17.268 579 HE1 PHE 70 HE1 PHE 70 20.715 1.664 -13.239 580 HE2 PHE 70 HE2 PHE 70 18.821 1.366 -17.094 581 HZ PHE 70 HZ PHE 70 19.371 2.705 -15.121 582 H GLU 71 H GLU 71 23.330 -0.296 -16.214 583 HA GLU 71 HA GLU 71 25.458 -1.287 -14.333 584 1HB GLU 71 1HB GLU 71 26.293 -0.957 -16.693 585 2HB GLU 71 2HB GLU 71 25.821 0.787 -16.552 586 1HG GLU 71 1HG GLU 71 27.317 0.808 -14.425 587 2HG GLU 71 2HG GLU 71 27.911 -0.725 -14.900 588 H GLU 72 H GLU 72 26.072 0.470 -12.702 589 HA GLU 72 HA GLU 72 24.206 2.808 -12.814 590 1HB GLU 72 1HB GLU 72 23.903 0.557 -11.092 591 2HB GLU 72 2HB GLU 72 24.373 1.926 -10.138 592 1HG GLU 72 1HG GLU 72 22.211 2.389 -12.206 593 2HG GLU 72 2HG GLU 72 21.782 1.581 -10.694 594 H ASP 73 H ASP 73 24.877 4.634 -11.792 595 HA ASP 73 HA ASP 73 27.460 4.568 -10.278 596 1HB ASP 73 1HB ASP 73 26.812 6.928 -11.950 597 2HB ASP 73 2HB ASP 73 28.382 6.360 -11.351 598 H LEU 74 H LEU 74 27.293 5.364 -8.364 599 HA LEU 74 HA LEU 74 25.040 7.248 -7.687 600 1HB LEU 74 1HB LEU 74 26.260 5.056 -6.114 601 2HB LEU 74 2HB LEU 74 25.273 6.373 -5.412 602 HG LEU 74 HG LEU 74 24.306 4.447 -7.590 603 1HD1 LEU 74 1HD1 LEU 74 24.730 3.913 -4.888 604 2HD1 LEU 74 2HD1 LEU 74 23.620 3.023 -5.926 605 3HD1 LEU 74 3HD1 LEU 74 23.015 4.398 -4.959 606 1HD2 LEU 74 1HD2 LEU 74 23.068 6.812 -6.042 607 2HD2 LEU 74 2HD2 LEU 74 22.074 5.532 -6.778 608 3HD2 LEU 74 3HD2 LEU 74 23.134 6.570 -7.783 609 H THR 75 H THR 75 25.655 9.095 -6.500 610 HA THR 75 HA THR 75 28.533 9.295 -5.588 611 HB THR 75 HB THR 75 28.911 11.209 -6.599 612 HG1 THR 75 HG1 THR 75 26.737 12.397 -7.277 613 1HG2 THR 75 1HG2 THR 75 28.120 9.556 -8.490 614 2HG2 THR 75 2HG2 THR 75 27.912 11.264 -8.947 615 3HG2 THR 75 3HG2 THR 75 26.536 10.362 -8.372 616 H GLY 76 H GLY 76 25.306 9.195 -4.613 617 1HA GLY 76 1HA GLY 76 25.819 11.182 -2.443 618 2HA GLY 76 2HA GLY 76 24.226 10.860 -3.182 619 H ILE 77 H ILE 77 24.995 7.847 -3.318 620 HA ILE 77 HA ILE 77 24.574 7.200 -0.419 621 HB ILE 77 HB ILE 77 23.567 5.078 -1.738 622 1HG1 ILE 77 1HG1 ILE 77 23.757 6.259 -3.911 623 2HG1 ILE 77 2HG1 ILE 77 22.158 5.672 -3.589 624 1HG2 ILE 77 1HG2 ILE 77 22.679 7.150 0.031 625 2HG2 ILE 77 2HG2 ILE 77 21.802 5.664 -0.315 626 3HG2 ILE 77 3HG2 ILE 77 21.469 7.120 -1.289 627 1HD1 ILE 77 1HD1 ILE 77 21.349 7.855 -3.978 628 2HD1 ILE 77 2HD1 ILE 77 22.988 8.404 -4.255 629 3HD1 ILE 77 3HD1 ILE 77 22.296 8.400 -2.599 630 H ASP 78 H ASP 78 26.268 6.059 0.257 631 HA ASP 78 HA ASP 78 28.349 4.966 0.230 632 1HB ASP 78 1HB ASP 78 28.005 2.646 -0.085 633 2HB ASP 78 2HB ASP 78 26.686 3.387 0.820 634 H ASP 79 H ASP 79 28.049 6.517 -2.255 635 HA ASP 79 HA ASP 79 28.398 6.094 -4.682 636 1HB ASP 79 1HB ASP 79 30.970 6.863 -4.567 637 2HB ASP 79 2HB ASP 79 29.497 7.817 -4.662 638 H ARG 80 H ARG 80 28.161 3.881 -5.087 639 HA ARG 80 HA ARG 80 30.749 2.504 -5.718 640 1HB ARG 80 1HB ARG 80 28.470 1.484 -4.094 641 2HB ARG 80 2HB ARG 80 29.070 0.440 -5.382 642 1HG ARG 80 1HG ARG 80 31.248 1.736 -3.774 643 2HG ARG 80 2HG ARG 80 30.201 0.693 -2.839 644 1HD ARG 80 1HD ARG 80 31.635 -0.948 -3.594 645 2HD ARG 80 2HD ARG 80 30.716 -0.880 -5.129 646 HE ARG 80 HE ARG 80 32.847 1.097 -4.840 647 1HH1 ARG 80 1HH1 ARG 80 31.968 -2.161 -6.241 648 2HH1 ARG 80 2HH1 ARG 80 33.297 -2.068 -7.316 649 1HH2 ARG 80 1HH2 ARG 80 34.561 1.030 -6.349 650 2HH2 ARG 80 2HH2 ARG 80 34.732 -0.317 -7.390 651 H LYS 81 H LYS 81 30.582 1.035 -7.363 652 HA LYS 81 HA LYS 81 28.302 1.502 -9.222 653 1HB LYS 81 1HB LYS 81 30.819 0.443 -10.456 654 2HB LYS 81 2HB LYS 81 29.809 1.773 -10.986 655 1HG LYS 81 1HG LYS 81 30.861 3.285 -9.317 656 2HG LYS 81 2HG LYS 81 31.956 1.916 -8.859 657 1HD LYS 81 1HD LYS 81 31.654 2.683 -11.771 658 2HD LYS 81 2HD LYS 81 32.589 3.790 -10.765 659 1HE LYS 81 1HE LYS 81 34.215 2.058 -10.202 660 2HE LYS 81 2HE LYS 81 33.231 0.783 -10.892 661 1HZ LYS 81 1HZ LYS 81 34.952 2.759 -12.235 662 2HZ LYS 81 2HZ LYS 81 33.526 2.390 -13.034 663 3HZ LYS 81 3HZ LYS 81 34.606 1.161 -12.620 664 H CYS 82 H CYS 82 27.416 -0.323 -10.006 665 HA CYS 82 HA CYS 82 28.687 -2.924 -9.400 666 1HB CYS 82 1HB CYS 82 26.326 -3.748 -8.648 667 2HB CYS 82 2HB CYS 82 27.092 -2.659 -7.537 668 HG CYS 82 HG CYS 82 25.535 -1.019 -7.418 669 H MET 83 H MET 83 27.416 -4.734 -10.581 670 HA MET 83 HA MET 83 26.300 -3.713 -13.196 671 1HB MET 83 1HB MET 83 27.831 -6.258 -12.309 672 2HB MET 83 2HB MET 83 26.944 -6.174 -13.840 673 1HG MET 83 1HG MET 83 28.743 -3.911 -13.723 674 2HG MET 83 2HG MET 83 29.668 -5.340 -13.335 675 1HE MET 83 1HE MET 83 31.049 -6.432 -15.526 676 2HE MET 83 2HE MET 83 29.939 -7.485 -16.439 677 3HE MET 83 3HE MET 83 29.899 -7.448 -14.656 678 H THR 84 H THR 84 24.255 -3.796 -13.102 679 HA THR 84 HA THR 84 22.976 -5.798 -11.256 680 HB THR 84 HB THR 84 22.243 -3.027 -12.033 681 HG1 THR 84 HG1 THR 84 22.155 -3.387 -9.557 682 1HG2 THR 84 1HG2 THR 84 20.189 -3.551 -10.430 683 2HG2 THR 84 2HG2 THR 84 20.574 -5.263 -10.649 684 3HG2 THR 84 3HG2 THR 84 20.123 -4.314 -12.048 685 H THR 85 H THR 85 21.432 -7.165 -12.027 686 HA THR 85 HA THR 85 20.373 -6.750 -14.834 687 HB THR 85 HB THR 85 20.831 -9.477 -13.497 688 HG1 THR 85 HG1 THR 85 22.792 -9.475 -14.282 689 1HG2 THR 85 1HG2 THR 85 20.691 -9.087 -16.482 690 2HG2 THR 85 2HG2 THR 85 19.175 -8.812 -15.595 691 3HG2 THR 85 3HG2 THR 85 19.972 -10.390 -15.499 692 H VAL 86 H VAL 86 18.323 -6.518 -14.794 693 HA VAL 86 HA VAL 86 16.735 -7.455 -12.446 694 HB VAL 86 HB VAL 86 15.204 -5.734 -12.871 695 1HG1 VAL 86 1HG1 VAL 86 17.720 -5.105 -12.275 696 2HG1 VAL 86 2HG1 VAL 86 16.571 -3.782 -12.627 697 3HG1 VAL 86 3HG1 VAL 86 17.704 -4.365 -13.861 698 1HG2 VAL 86 1HG2 VAL 86 14.658 -5.647 -15.254 699 2HG2 VAL 86 2HG2 VAL 86 16.379 -5.669 -15.730 700 3HG2 VAL 86 3HG2 VAL 86 15.622 -4.201 -15.123 701 H SER 87 H SER 87 15.590 -9.199 -12.839 702 HA SER 87 HA SER 87 14.754 -9.897 -15.657 703 1HB SER 87 1HB SER 87 16.874 -11.230 -14.314 704 2HB SER 87 2HB SER 87 15.443 -12.225 -14.109 705 HG SER 87 HG SER 87 16.754 -11.403 -16.442 706 H TRP 88 H TRP 88 13.439 -11.936 -15.562 707 HA TRP 88 HA TRP 88 11.545 -11.735 -13.287 708 1HB TRP 88 1HB TRP 88 9.663 -12.148 -14.740 709 2HB TRP 88 2HB TRP 88 10.574 -10.768 -15.368 710 HD1 TRP 88 HD1 TRP 88 12.567 -11.783 -17.439 711 HE1 TRP 88 HE1 TRP 88 11.937 -13.232 -19.466 712 HE3 TRP 88 HE3 TRP 88 8.069 -13.691 -15.734 713 HZ2 TRP 88 HZ2 TRP 88 9.830 -14.974 -20.256 714 HZ3 TRP 88 HZ3 TRP 88 6.863 -15.229 -17.184 715 HH2 TRP 88 HH2 TRP 88 7.730 -15.853 -19.408 716 H ASP 89 H ASP 89 11.876 -13.510 -12.164 717 HA ASP 89 HA ASP 89 13.076 -15.950 -13.263 718 1HB ASP 89 1HB ASP 89 13.342 -15.078 -10.883 719 2HB ASP 89 2HB ASP 89 11.618 -15.318 -10.602 720 H GLY 90 H GLY 90 9.960 -14.833 -11.892 721 1HA GLY 90 1HA GLY 90 8.391 -16.286 -13.944 722 2HA GLY 90 2HA GLY 90 8.102 -16.753 -12.189 723 H ASP 91 H ASP 91 6.527 -15.581 -11.190 724 HA ASP 91 HA ASP 91 5.835 -12.992 -12.502 725 1HB ASP 91 1HB ASP 91 4.235 -14.207 -10.285 726 2HB ASP 91 2HB ASP 91 3.783 -13.112 -11.576 727 H LYS 92 H LYS 92 8.235 -12.811 -11.197 728 HA LYS 92 HA LYS 92 7.636 -10.937 -8.988 729 1HB LYS 92 1HB LYS 92 9.960 -12.757 -8.580 730 2HB LYS 92 2HB LYS 92 9.010 -11.823 -7.400 731 1HG LYS 92 1HG LYS 92 7.211 -13.457 -7.473 732 2HG LYS 92 2HG LYS 92 7.952 -14.366 -8.766 733 1HD LYS 92 1HD LYS 92 9.461 -13.861 -6.138 734 2HD LYS 92 2HD LYS 92 8.390 -15.245 -6.314 735 1HE LYS 92 1HE LYS 92 10.242 -14.967 -8.583 736 2HE LYS 92 2HE LYS 92 11.120 -15.042 -7.063 737 1HZ LYS 92 1HZ LYS 92 10.902 -17.218 -7.341 738 2HZ LYS 92 2HZ LYS 92 9.742 -17.093 -8.522 739 3HZ LYS 92 3HZ LYS 92 9.259 -17.040 -6.881 740 H LEU 93 H LEU 93 10.280 -10.335 -8.302 741 HA LEU 93 HA LEU 93 11.721 -9.933 -10.868 742 1HB LEU 93 1HB LEU 93 10.015 -7.922 -9.954 743 2HB LEU 93 2HB LEU 93 11.405 -7.600 -8.964 744 HG LEU 93 HG LEU 93 12.518 -7.807 -11.540 745 1HD1 LEU 93 1HD1 LEU 93 10.103 -5.994 -11.656 746 2HD1 LEU 93 2HD1 LEU 93 10.014 -7.659 -12.276 747 3HD1 LEU 93 3HD1 LEU 93 11.140 -6.473 -12.999 748 1HD2 LEU 93 1HD2 LEU 93 12.634 -5.213 -11.234 749 2HD2 LEU 93 2HD2 LEU 93 13.358 -6.145 -9.906 750 3HD2 LEU 93 3HD2 LEU 93 11.723 -5.449 -9.753 751 H GLN 94 H GLN 94 13.961 -9.523 -10.506 752 HA GLN 94 HA GLN 94 15.025 -9.697 -7.737 753 1HB GLN 94 1HB GLN 94 15.139 -11.749 -9.898 754 2HB GLN 94 2HB GLN 94 16.618 -11.463 -8.935 755 1HG GLN 94 1HG GLN 94 15.107 -11.691 -6.833 756 2HG GLN 94 2HG GLN 94 13.911 -12.384 -7.870 757 1HE2 GLN 94 1HE2 GLN 94 13.893 -14.545 -7.331 758 2HE2 GLN 94 2HE2 GLN 94 15.303 -15.574 -7.266 759 H CYS 95 H CYS 95 17.083 -9.063 -7.522 760 HA CYS 95 HA CYS 95 18.423 -7.998 -9.971 761 1HB CYS 95 1HB CYS 95 18.992 -6.115 -8.037 762 2HB CYS 95 2HB CYS 95 18.000 -5.886 -9.475 763 HG CYS 95 HG CYS 95 15.701 -6.630 -8.350 764 H VAL 96 H VAL 96 20.520 -8.522 -10.038 765 HA VAL 96 HA VAL 96 21.881 -9.355 -7.530 766 HB VAL 96 HB VAL 96 21.594 -11.184 -9.072 767 1HG1 VAL 96 1HG1 VAL 96 23.485 -10.465 -11.122 768 2HG1 VAL 96 2HG1 VAL 96 22.158 -9.320 -11.102 769 3HG1 VAL 96 3HG1 VAL 96 21.826 -11.079 -11.305 770 1HG2 VAL 96 1HG2 VAL 96 24.215 -11.556 -9.393 771 2HG2 VAL 96 2HG2 VAL 96 23.601 -11.473 -7.760 772 3HG2 VAL 96 3HG2 VAL 96 24.393 -10.039 -8.468 773 H GLN 97 H GLN 97 22.685 -7.530 -6.867 774 HA GLN 97 HA GLN 97 23.984 -5.446 -8.500 775 1HB GLN 97 1HB GLN 97 23.505 -5.981 -5.567 776 2HB GLN 97 2HB GLN 97 24.891 -4.930 -6.024 777 1HG GLN 97 1HG GLN 97 22.824 -3.640 -5.492 778 2HG GLN 97 2HG GLN 97 23.436 -3.354 -7.106 779 1HE2 GLN 97 1HE2 GLN 97 20.699 -3.971 -5.399 780 2HE2 GLN 97 2HE2 GLN 97 19.624 -4.571 -6.626 781 H LYS 98 H LYS 98 25.453 -6.863 -9.689 782 HA LYS 98 HA LYS 98 27.435 -8.418 -8.250 783 1HB LYS 98 1HB LYS 98 26.876 -7.807 -11.084 784 2HB LYS 98 2HB LYS 98 28.553 -8.132 -10.674 785 1HG LYS 98 1HG LYS 98 26.494 -10.028 -9.476 786 2HG LYS 98 2HG LYS 98 26.664 -10.077 -11.244 787 1HD LYS 98 1HD LYS 98 29.177 -10.015 -9.631 788 2HD LYS 98 2HD LYS 98 28.232 -11.535 -9.646 789 1HE LYS 98 1HE LYS 98 28.250 -11.073 -12.302 790 2HE LYS 98 2HE LYS 98 29.775 -10.213 -11.883 791 1HZ LYS 98 1HZ LYS 98 30.343 -12.373 -10.654 792 2HZ LYS 98 2HZ LYS 98 30.368 -12.322 -12.354 793 3HZ LYS 98 3HZ LYS 98 29.086 -13.051 -11.499 794 H GLY 99 H GLY 99 28.621 -7.297 -6.837 795 1HA GLY 99 1HA GLY 99 30.890 -5.721 -7.809 796 2HA GLY 99 2HA GLY 99 29.675 -4.813 -6.866 797 H GLU 100 H GLU 100 31.336 -4.534 -5.316 798 HA GLU 100 HA GLU 100 32.736 -6.657 -3.963 799 1HB GLU 100 1HB GLU 100 32.128 -4.092 -2.554 800 2HB GLU 100 2HB GLU 100 33.475 -5.209 -2.353 801 1HG GLU 100 1HG GLU 100 33.020 -3.713 -4.929 802 2HG GLU 100 2HG GLU 100 33.944 -3.011 -3.621 803 H LYS 101 H LYS 101 32.366 -6.476 -1.309 804 HA LYS 101 HA LYS 101 30.969 -6.963 0.538 805 1HB LYS 101 1HB LYS 101 28.511 -6.775 -1.056 806 2HB LYS 101 2HB LYS 101 28.792 -6.516 0.679 807 1HG LYS 101 1HG LYS 101 30.274 -4.673 -1.160 808 2HG LYS 101 2HG LYS 101 28.525 -4.391 -0.959 809 1HD LYS 101 1HD LYS 101 29.013 -4.641 1.619 810 2HD LYS 101 2HD LYS 101 30.705 -4.421 1.165 811 1HE LYS 101 1HE LYS 101 28.593 -2.496 0.106 812 2HE LYS 101 2HE LYS 101 29.254 -2.369 1.801 813 1HZ LYS 101 1HZ LYS 101 30.454 -1.590 -0.599 814 2HZ LYS 101 2HZ LYS 101 31.390 -2.796 0.061 815 3HZ LYS 101 3HZ LYS 101 31.052 -1.421 0.982 816 H GLU 102 H GLU 102 29.572 -8.736 1.387 817 HA GLU 102 HA GLU 102 29.884 -11.248 -0.150 818 1HB GLU 102 1HB GLU 102 29.035 -10.651 2.716 819 2HB GLU 102 2HB GLU 102 29.004 -12.242 1.988 820 1HG GLU 102 1HG GLU 102 31.612 -10.966 1.559 821 2HG GLU 102 2HG GLU 102 31.167 -11.004 3.292 822 H GLY 103 H GLY 103 27.453 -9.107 1.178 823 1HA GLY 103 1HA GLY 103 25.257 -10.712 -0.066 824 2HA GLY 103 2HA GLY 103 25.053 -10.071 1.503 825 H ARG 104 H ARG 104 25.470 -9.151 -1.886 826 HA ARG 104 HA ARG 104 24.061 -6.588 -1.290 827 1HB ARG 104 1HB ARG 104 26.651 -6.817 -2.265 828 2HB ARG 104 2HB ARG 104 25.677 -6.583 -3.712 829 1HG ARG 104 1HG ARG 104 24.497 -4.749 -2.092 830 2HG ARG 104 2HG ARG 104 26.099 -4.747 -1.346 831 1HD ARG 104 1HD ARG 104 26.897 -4.587 -3.896 832 2HD ARG 104 2HD ARG 104 25.277 -3.929 -4.129 833 HE ARG 104 HE ARG 104 27.006 -2.826 -1.973 834 1HH1 ARG 104 1HH1 ARG 104 25.215 -2.227 -5.029 835 2HH1 ARG 104 2HH1 ARG 104 25.464 -0.515 -4.843 836 1HH2 ARG 104 1HH2 ARG 104 27.227 -0.656 -1.861 837 2HH2 ARG 104 2HH2 ARG 104 26.578 0.391 -3.072 838 H GLY 105 H GLY 105 22.163 -6.392 -2.241 839 1HA GLY 105 1HA GLY 105 21.328 -6.681 -4.703 840 2HA GLY 105 2HA GLY 105 21.427 -8.429 -4.245 841 H TRP 106 H TRP 106 19.014 -6.970 -4.924 842 HA TRP 106 HA TRP 106 17.575 -7.050 -2.289 843 1HB TRP 106 1HB TRP 106 16.374 -5.840 -4.711 844 2HB TRP 106 2HB TRP 106 16.033 -5.584 -3.019 845 HD1 TRP 106 HD1 TRP 106 19.237 -4.732 -2.265 846 HE1 TRP 106 HE1 TRP 106 19.999 -2.324 -2.927 847 HE3 TRP 106 HE3 TRP 106 15.657 -3.678 -5.830 848 HZ2 TRP 106 HZ2 TRP 106 19.184 -0.264 -4.713 849 HZ3 TRP 106 HZ3 TRP 106 15.754 -1.472 -6.916 850 HH2 TRP 106 HH2 TRP 106 17.512 0.189 -6.362 851 H THR 107 H THR 107 15.379 -7.924 -2.461 852 HA THR 107 HA THR 107 14.960 -9.702 -4.808 853 HB THR 107 HB THR 107 14.532 -10.578 -1.920 854 HG1 THR 107 HG1 THR 107 16.268 -11.931 -3.579 855 1HG2 THR 107 1HG2 THR 107 13.996 -11.889 -4.638 856 2HG2 THR 107 2HG2 THR 107 12.925 -11.799 -3.219 857 3HG2 THR 107 3HG2 THR 107 14.342 -12.904 -3.248 858 H GLN 108 H GLN 108 12.988 -9.564 -5.557 859 HA GLN 108 HA GLN 108 11.006 -8.018 -3.941 860 1HB GLN 108 1HB GLN 108 12.326 -7.213 -6.169 861 2HB GLN 108 2HB GLN 108 11.203 -8.229 -6.956 862 1HG GLN 108 1HG GLN 108 9.357 -6.874 -6.446 863 2HG GLN 108 2HG GLN 108 10.137 -6.163 -5.025 864 1HE2 GLN 108 1HE2 GLN 108 8.829 -4.996 -7.481 865 2HE2 GLN 108 2HE2 GLN 108 9.974 -3.875 -8.176 866 H TRP 109 H TRP 109 8.760 -8.436 -4.527 867 HA TRP 109 HA TRP 109 7.765 -10.639 -6.025 868 1HB TRP 109 1HB TRP 109 8.352 -12.380 -4.935 869 2HB TRP 109 2HB TRP 109 9.155 -11.437 -3.666 870 HD1 TRP 109 HD1 TRP 109 6.362 -10.358 -2.193 871 HE1 TRP 109 HE1 TRP 109 4.905 -12.010 -0.885 872 HE3 TRP 109 HE3 TRP 109 8.047 -14.647 -4.349 873 HZ2 TRP 109 HZ2 TRP 109 4.502 -14.771 -0.756 874 HZ3 TRP 109 HZ3 TRP 109 7.056 -16.805 -3.578 875 HH2 TRP 109 HH2 TRP 109 5.280 -16.866 -1.785 876 H ILE 110 H ILE 110 5.469 -10.916 -5.633 877 HA ILE 110 HA ILE 110 4.277 -8.667 -4.009 878 HB ILE 110 HB ILE 110 3.615 -9.635 -6.779 879 1HG1 ILE 110 1HG1 ILE 110 4.152 -6.889 -5.533 880 2HG1 ILE 110 2HG1 ILE 110 5.361 -7.906 -6.198 881 1HG2 ILE 110 1HG2 ILE 110 1.671 -7.858 -6.380 882 2HG2 ILE 110 2HG2 ILE 110 1.769 -8.418 -4.680 883 3HG2 ILE 110 3HG2 ILE 110 1.449 -9.553 -6.022 884 1HD1 ILE 110 1HD1 ILE 110 4.453 -6.136 -7.875 885 2HD1 ILE 110 2HD1 ILE 110 2.886 -6.971 -7.797 886 3HD1 ILE 110 3HD1 ILE 110 4.326 -7.774 -8.464 887 H GLU 111 H GLU 111 2.871 -9.244 -2.569 888 HA GLU 111 HA GLU 111 1.741 -12.002 -2.517 889 1HB GLU 111 1HB GLU 111 3.251 -10.543 -0.615 890 2HB GLU 111 2HB GLU 111 1.637 -10.343 -0.036 891 1HG GLU 111 1HG GLU 111 2.367 -13.155 -0.802 892 2HG GLU 111 2HG GLU 111 3.373 -12.414 0.471 893 H GLY 112 H GLY 112 0.433 -10.637 -4.208 894 1HA GLY 112 1HA GLY 112 -1.769 -10.090 -4.698 895 2HA GLY 112 2HA GLY 112 -2.142 -10.126 -2.931 896 H ASP 113 H ASP 113 -1.973 -8.241 -1.696 897 HA ASP 113 HA ASP 113 -1.765 -5.759 -3.297 898 1HB ASP 113 1HB ASP 113 -3.103 -4.753 -1.498 899 2HB ASP 113 2HB ASP 113 -3.854 -6.210 -2.237 900 H GLU 114 H GLU 114 0.400 -7.490 -1.451 901 HA GLU 114 HA GLU 114 1.735 -4.931 -0.602 902 1HB GLU 114 1HB GLU 114 2.488 -5.902 1.470 903 2HB GLU 114 2HB GLU 114 0.812 -5.389 1.386 904 1HG GLU 114 1HG GLU 114 0.623 -8.126 0.767 905 2HG GLU 114 2HG GLU 114 1.908 -8.037 1.978 906 H LEU 115 H LEU 115 3.724 -4.814 -0.689 907 HA LEU 115 HA LEU 115 5.271 -6.868 -2.068 908 1HB LEU 115 1HB LEU 115 5.699 -4.011 -1.203 909 2HB LEU 115 2HB LEU 115 7.124 -4.984 -1.384 910 HG LEU 115 HG LEU 115 6.722 -3.611 -3.341 911 1HD1 LEU 115 1HD1 LEU 115 7.149 -6.412 -3.309 912 2HD1 LEU 115 2HD1 LEU 115 7.586 -5.332 -4.652 913 3HD1 LEU 115 3HD1 LEU 115 6.020 -6.181 -4.621 914 1HD2 LEU 115 1HD2 LEU 115 4.045 -5.105 -3.247 915 2HD2 LEU 115 2HD2 LEU 115 4.570 -4.296 -4.758 916 3HD2 LEU 115 3HD2 LEU 115 4.287 -3.355 -3.264 917 H HIS 116 H HIS 116 7.017 -7.873 -1.338 918 HA HIS 116 HA HIS 116 7.745 -7.732 1.574 919 1HB HIS 116 1HB HIS 116 6.719 -10.051 -0.019 920 2HB HIS 116 2HB HIS 116 8.086 -10.370 1.062 921 HD1 HIS 116 HD1 HIS 116 7.542 -8.853 3.535 922 HD2 HIS 116 HD2 HIS 116 4.408 -10.736 1.417 923 HE1 HIS 116 HE1 HIS 116 5.701 -9.201 5.188 924 HE2 HIS 116 HE2 HIS 116 3.780 -10.351 3.888 925 H LEU 117 H LEU 117 9.216 -6.286 0.315 926 HA LEU 117 HA LEU 117 11.284 -7.647 -1.258 927 1HB LEU 117 1HB LEU 117 10.788 -5.612 -2.141 928 2HB LEU 117 2HB LEU 117 10.250 -4.923 -0.711 929 HG LEU 117 HG LEU 117 13.237 -5.333 -1.163 930 1HD1 LEU 117 1HD1 LEU 117 11.751 -2.949 -2.309 931 2HD1 LEU 117 2HD1 LEU 117 12.101 -4.360 -3.284 932 3HD1 LEU 117 3HD1 LEU 117 13.436 -3.389 -2.619 933 1HD2 LEU 117 1HD2 LEU 117 11.971 -4.175 1.008 934 2HD2 LEU 117 2HD2 LEU 117 12.135 -2.723 -0.026 935 3HD2 LEU 117 3HD2 LEU 117 13.561 -3.636 0.448 936 H GLU 118 H GLU 118 13.587 -7.559 -0.732 937 HA GLU 118 HA GLU 118 14.138 -7.039 2.158 938 1HB GLU 118 1HB GLU 118 15.683 -9.276 0.961 939 2HB GLU 118 2HB GLU 118 15.030 -9.072 2.598 940 1HG GLU 118 1HG GLU 118 12.863 -9.796 1.969 941 2HG GLU 118 2HG GLU 118 13.177 -9.670 0.235 942 H MET 119 H MET 119 16.081 -5.984 2.459 943 HA MET 119 HA MET 119 17.812 -5.713 -0.002 944 1HB MET 119 1HB MET 119 16.563 -3.709 1.784 945 2HB MET 119 2HB MET 119 18.280 -3.443 1.336 946 1HG MET 119 1HG MET 119 17.675 -3.323 -0.993 947 2HG MET 119 2HG MET 119 16.121 -4.169 -0.714 948 1HE MET 119 1HE MET 119 17.267 -0.646 -1.635 949 2HE MET 119 2HE MET 119 15.513 -0.559 -2.019 950 3HE MET 119 3HE MET 119 16.502 -2.022 -2.422 951 H ARG 120 H ARG 120 19.766 -6.414 0.326 952 HA ARG 120 HA ARG 120 20.949 -6.474 3.145 953 1HB ARG 120 1HB ARG 120 22.341 -8.147 1.219 954 2HB ARG 120 2HB ARG 120 21.745 -8.499 2.849 955 1HG ARG 120 1HG ARG 120 19.623 -9.185 1.973 956 2HG ARG 120 2HG ARG 120 19.979 -8.601 0.338 957 1HD ARG 120 1HD ARG 120 20.746 -10.701 -0.084 958 2HD ARG 120 2HD ARG 120 22.136 -10.271 0.965 959 HE ARG 120 HE ARG 120 19.766 -11.947 1.570 960 1HH1 ARG 120 1HH1 ARG 120 22.544 -10.238 2.924 961 2HH1 ARG 120 2HH1 ARG 120 22.498 -11.178 4.393 962 1HH2 ARG 120 1HH2 ARG 120 19.736 -13.141 3.507 963 2HH2 ARG 120 2HH2 ARG 120 20.926 -12.798 4.732 964 H ALA 121 H ALA 121 23.213 -6.225 3.396 965 HA ALA 121 HA ALA 121 24.943 -5.277 1.284 966 1HB ALA 121 1HB ALA 121 23.251 -3.342 1.703 967 2HB ALA 121 2HB ALA 121 25.022 -2.964 1.752 968 3HB ALA 121 3HB ALA 121 24.074 -3.136 3.255 969 H GLU 122 H GLU 122 26.469 -6.525 2.021 970 HA GLU 122 HA GLU 122 28.365 -7.100 3.199 971 1HB GLU 122 1HB GLU 122 28.106 -4.642 3.850 972 2HB GLU 122 2HB GLU 122 27.583 -5.232 5.414 973 1HG GLU 122 1HG GLU 122 29.693 -5.633 6.102 974 2HG GLU 122 2HG GLU 122 29.967 -6.723 4.727 975 H GLY 123 H GLY 123 25.374 -7.943 3.889 976 1HA GLY 123 1HA GLY 123 25.020 -10.107 4.911 977 2HA GLY 123 2HA GLY 123 26.118 -9.661 6.179 978 H VAL 124 H VAL 124 24.002 -7.062 5.438 979 HA VAL 124 HA VAL 124 22.330 -7.662 7.894 980 HB VAL 124 HB VAL 124 21.915 -5.112 7.831 981 1HG1 VAL 124 1HG1 VAL 124 23.137 -5.635 9.722 982 2HG1 VAL 124 2HG1 VAL 124 24.523 -4.869 8.870 983 3HG1 VAL 124 3HG1 VAL 124 24.330 -6.610 8.822 984 1HG2 VAL 124 1HG2 VAL 124 24.619 -4.734 6.643 985 2HG2 VAL 124 2HG2 VAL 124 23.169 -3.696 6.532 986 3HG2 VAL 124 3HG2 VAL 124 23.315 -5.120 5.502 987 H THR 125 H THR 125 20.614 -8.702 6.960 988 HA THR 125 HA THR 125 19.277 -7.618 4.662 989 HB THR 125 HB THR 125 19.202 -10.009 6.301 990 HG1 THR 125 HG1 THR 125 20.102 -9.685 4.225 991 1HG2 THR 125 1HG2 THR 125 16.686 -9.365 6.498 992 2HG2 THR 125 2HG2 THR 125 16.953 -10.696 5.389 993 3HG2 THR 125 3HG2 THR 125 16.669 -9.061 4.740 994 H CYS 126 H CYS 126 18.133 -5.840 4.780 995 HA CYS 126 HA CYS 126 16.473 -5.229 7.215 996 1HB CYS 126 1HB CYS 126 17.285 -3.074 6.784 997 2HB CYS 126 2HB CYS 126 18.139 -3.738 5.371 998 HG CYS 126 HG CYS 126 16.714 -1.538 4.988 999 H LYS 127 H LYS 127 14.138 -4.755 6.727 1000 HA LYS 127 HA LYS 127 13.345 -5.532 3.912 1001 1HB LYS 127 1HB LYS 127 11.846 -6.463 6.329 1002 2HB LYS 127 2HB LYS 127 11.622 -6.868 4.596 1003 1HG LYS 127 1HG LYS 127 13.404 -8.372 4.515 1004 2HG LYS 127 2HG LYS 127 14.284 -7.559 5.790 1005 1HD LYS 127 1HD LYS 127 13.606 -9.491 6.865 1006 2HD LYS 127 2HD LYS 127 12.292 -8.404 7.325 1007 1HE LYS 127 1HE LYS 127 11.089 -10.292 6.547 1008 2HE LYS 127 2HE LYS 127 11.193 -9.320 5.029 1009 1HZ LYS 127 1HZ LYS 127 11.811 -11.849 5.125 1010 2HZ LYS 127 2HZ LYS 127 13.259 -11.298 5.766 1011 3HZ LYS 127 3HZ LYS 127 12.791 -10.755 4.248 1012 H GLN 128 H GLN 128 11.444 -4.615 3.139 1013 HA GLN 128 HA GLN 128 10.147 -2.511 4.863 1014 1HB GLN 128 1HB GLN 128 11.338 -2.189 2.115 1015 2HB GLN 128 2HB GLN 128 10.088 -1.130 2.711 1016 1HG GLN 128 1HG GLN 128 11.486 -0.107 4.297 1017 2HG GLN 128 2HG GLN 128 12.521 -1.499 4.503 1018 1HE2 GLN 128 1HE2 GLN 128 11.531 -0.070 1.417 1019 2HE2 GLN 128 2HE2 GLN 128 13.102 0.352 0.841 1020 H VAL 129 H VAL 129 8.113 -3.365 5.021 1021 HA VAL 129 HA VAL 129 6.934 -4.519 2.531 1022 HB VAL 129 HB VAL 129 6.455 -4.702 5.438 1023 1HG1 VAL 129 1HG1 VAL 129 4.419 -3.524 5.270 1024 2HG1 VAL 129 2HG1 VAL 129 3.932 -5.187 4.998 1025 3HG1 VAL 129 3HG1 VAL 129 4.089 -4.113 3.601 1026 1HG2 VAL 129 1HG2 VAL 129 5.771 -6.957 4.871 1027 2HG2 VAL 129 2HG2 VAL 129 6.872 -6.587 3.554 1028 3HG2 VAL 129 3HG2 VAL 129 5.100 -6.487 3.313 1029 H PHE 130 H PHE 130 5.735 -3.487 1.244 1030 HA PHE 130 HA PHE 130 4.744 -0.760 1.922 1031 1HB PHE 130 1HB PHE 130 4.961 -2.023 -0.881 1032 2HB PHE 130 2HB PHE 130 4.680 -0.353 -0.486 1033 HD1 PHE 130 HD1 PHE 130 6.827 -1.912 -2.202 1034 HD2 PHE 130 HD2 PHE 130 6.995 -0.124 1.691 1035 HE1 PHE 130 HE1 PHE 130 9.261 -1.640 -2.476 1036 HE2 PHE 130 HE2 PHE 130 9.414 0.154 1.419 1037 HZ PHE 130 HZ PHE 130 10.576 -0.589 -0.658 1038 H LYS 131 H LYS 131 2.636 -0.193 0.699 1039 HA LYS 131 HA LYS 131 0.869 -2.637 0.484 1040 1HB LYS 131 1HB LYS 131 0.510 -1.440 2.644 1041 2HB LYS 131 2HB LYS 131 0.292 0.086 1.847 1042 1HG LYS 131 1HG LYS 131 -1.895 -0.711 2.463 1043 2HG LYS 131 2HG LYS 131 -1.753 -0.851 0.691 1044 1HD LYS 131 1HD LYS 131 -2.392 -3.026 0.994 1045 2HD LYS 131 2HD LYS 131 -0.757 -3.295 1.664 1046 1HE LYS 131 1HE LYS 131 -1.915 -2.185 3.878 1047 2HE LYS 131 2HE LYS 131 -3.326 -2.996 3.185 1048 1HZ LYS 131 1HZ LYS 131 -2.276 -5.084 3.223 1049 2HZ LYS 131 2HZ LYS 131 -1.879 -4.356 4.675 1050 3HZ LYS 131 3HZ LYS 131 -0.743 -4.438 3.418 1051 H LYS 132 H LYS 132 0.479 -2.751 -1.742 1052 HA LYS 132 HA LYS 132 0.704 -0.563 -3.518 1053 1HB LYS 132 1HB LYS 132 0.484 -3.131 -3.900 1054 2HB LYS 132 2HB LYS 132 -1.264 -2.768 -3.945 1055 1HG LYS 132 1HG LYS 132 -0.965 -1.167 -5.800 1056 2HG LYS 132 2HG LYS 132 0.807 -1.416 -5.694 1057 1HD LYS 132 1HD LYS 132 0.675 -3.674 -6.411 1058 2HD LYS 132 2HD LYS 132 -1.081 -3.726 -6.155 1059 1HE LYS 132 1HE LYS 132 -1.492 -2.819 -8.264 1060 2HE LYS 132 2HE LYS 132 -0.112 -1.669 -8.159 1061 1HZ LYS 132 1HZ LYS 132 -0.194 -4.291 -9.281 1062 2HZ LYS 132 2HZ LYS 132 1.187 -3.957 -8.326 1063 3HZ LYS 132 3HZ LYS 132 0.749 -2.966 -9.609 1064 H VAL 133 H VAL 133 -0.482 1.297 -3.277 1065 HA VAL 133 HA VAL 133 -3.331 1.202 -2.359 1066 HB VAL 133 HB VAL 133 -3.151 3.587 -2.082 1067 1HG1 VAL 133 1HG1 VAL 133 -1.646 3.268 0.043 1068 2HG1 VAL 133 2HG1 VAL 133 -1.509 1.567 -0.492 1069 3HG1 VAL 133 3HG1 VAL 133 -3.078 2.271 -0.106 1070 1HG2 VAL 133 1HG2 VAL 133 -0.729 3.554 -3.463 1071 2HG2 VAL 133 2HG2 VAL 133 -0.172 3.465 -1.777 1072 3HG2 VAL 133 3HG2 VAL 133 -1.221 4.801 -2.296 1073 H HIS 134 H HIS 134 -3.067 0.285 -4.987 1074 HA HIS 134 HA HIS 134 -3.045 2.311 -6.998 1075 1HB HIS 134 1HB HIS 134 -2.732 -0.231 -7.036 1076 2HB HIS 134 2HB HIS 134 -4.478 -0.325 -7.199 1077 HD1 HIS 134 HD1 HIS 134 -1.579 -0.453 -9.155 1078 HD2 HIS 134 HD2 HIS 134 -5.195 1.725 -9.589 1079 HE1 HIS 134 HE1 HIS 134 -1.765 0.193 -11.576 1080 HE2 HIS 134 HE2 HIS 134 -3.958 1.517 -11.866 Start of MODEL 2 1 1H PRO 1 1H PRO 1 3.123 -6.600 -19.306 2 2H PRO 1 2H PRO 1 3.201 -5.324 -20.384 3 HA PRO 1 HA PRO 1 1.725 -4.487 -18.955 4 1HB PRO 1 1HB PRO 1 -0.665 -5.613 -19.907 5 2HB PRO 1 2HB PRO 1 0.312 -4.318 -20.752 6 1HG PRO 1 1HG PRO 1 0.049 -7.202 -21.328 7 2HG PRO 1 2HG PRO 1 0.480 -5.876 -22.412 8 1HD PRO 1 1HD PRO 1 2.247 -7.772 -21.278 9 2HD PRO 1 2HD PRO 1 2.696 -6.309 -22.154 10 H VAL 2 H VAL 2 2.414 -5.511 -17.004 11 HA VAL 2 HA VAL 2 0.669 -7.741 -16.070 12 HB VAL 2 HB VAL 2 3.287 -7.850 -16.225 13 1HG1 VAL 2 1HG1 VAL 2 4.572 -6.749 -14.708 14 2HG1 VAL 2 2HG1 VAL 2 3.574 -7.237 -13.358 15 3HG1 VAL 2 3HG1 VAL 2 3.152 -5.758 -14.286 16 1HG2 VAL 2 1HG2 VAL 2 3.097 -9.757 -14.759 17 2HG2 VAL 2 2HG2 VAL 2 1.388 -9.415 -15.085 18 3HG2 VAL 2 3HG2 VAL 2 2.142 -8.920 -13.568 19 H ASP 3 H ASP 3 1.387 -7.223 -13.189 20 HA ASP 3 HA ASP 3 -0.395 -4.886 -12.891 21 1HB ASP 3 1HB ASP 3 0.235 -6.964 -10.825 22 2HB ASP 3 2HB ASP 3 -1.034 -5.716 -10.743 23 H PHE 4 H PHE 4 2.785 -6.129 -11.941 24 HA PHE 4 HA PHE 4 3.931 -4.972 -9.943 25 1HB PHE 4 1HB PHE 4 4.713 -5.171 -12.771 26 2HB PHE 4 2HB PHE 4 5.611 -3.986 -11.843 27 HD1 PHE 4 HD1 PHE 4 5.860 -5.170 -9.152 28 HD2 PHE 4 HD2 PHE 4 5.916 -7.018 -12.997 29 HE1 PHE 4 HE1 PHE 4 7.235 -7.020 -8.233 30 HE2 PHE 4 HE2 PHE 4 7.259 -8.861 -12.153 31 HZ PHE 4 HZ PHE 4 7.928 -8.870 -9.711 32 H ASN 5 H ASN 5 3.299 -2.854 -12.804 33 HA ASN 5 HA ASN 5 4.310 -0.404 -11.732 34 1HB ASN 5 1HB ASN 5 2.661 0.736 -13.223 35 2HB ASN 5 2HB ASN 5 3.895 -0.330 -13.908 36 1HD2 ASN 5 1HD2 ASN 5 0.687 0.529 -14.214 37 2HD2 ASN 5 2HD2 ASN 5 0.025 -0.947 -14.823 38 H GLY 6 H GLY 6 3.822 0.456 -9.696 39 1HA GLY 6 1HA GLY 6 0.906 0.939 -9.208 40 2HA GLY 6 2HA GLY 6 1.743 -0.041 -8.107 41 H TYR 7 H TYR 7 0.534 2.096 -7.254 42 HA TYR 7 HA TYR 7 2.356 4.389 -6.748 43 1HB TYR 7 1HB TYR 7 -0.588 3.723 -6.545 44 2HB TYR 7 2HB TYR 7 0.070 4.659 -5.202 45 HD1 TYR 7 HD1 TYR 7 -0.376 4.417 -8.894 46 HD2 TYR 7 HD2 TYR 7 0.535 7.056 -5.598 47 HE1 TYR 7 HE1 TYR 7 -0.598 6.355 -10.404 48 HE2 TYR 7 HE2 TYR 7 0.325 8.988 -7.089 49 HH TYR 7 HH TYR 7 -1.221 8.912 -9.879 50 H TRP 8 H TRP 8 3.917 3.065 -5.513 51 HA TRP 8 HA TRP 8 2.867 1.466 -3.210 52 1HB TRP 8 1HB TRP 8 5.641 2.029 -4.267 53 2HB TRP 8 2HB TRP 8 5.321 1.179 -2.742 54 HD1 TRP 8 HD1 TRP 8 2.629 -0.441 -4.284 55 HE1 TRP 8 HE1 TRP 8 3.300 -2.478 -5.786 56 HE3 TRP 8 HE3 TRP 8 7.594 0.639 -4.969 57 HZ2 TRP 8 HZ2 TRP 8 5.561 -3.473 -7.059 58 HZ3 TRP 8 HZ3 TRP 8 8.964 -0.895 -6.354 59 HH2 TRP 8 HH2 TRP 8 7.977 -2.904 -7.378 60 H LYS 9 H LYS 9 2.281 2.482 -1.431 61 HA LYS 9 HA LYS 9 3.822 4.860 -0.473 62 1HB LYS 9 1HB LYS 9 2.012 5.448 0.799 63 2HB LYS 9 2HB LYS 9 1.262 4.859 -0.690 64 1HG LYS 9 1HG LYS 9 0.862 2.648 0.366 65 2HG LYS 9 2HG LYS 9 1.558 3.274 1.892 66 1HD LYS 9 1HD LYS 9 -0.212 4.907 2.159 67 2HD LYS 9 2HD LYS 9 -0.719 4.691 0.448 68 1HE LYS 9 1HE LYS 9 -2.335 3.653 1.919 69 2HE LYS 9 2HE LYS 9 -1.429 2.311 1.106 70 1HZ LYS 9 1HZ LYS 9 -1.493 1.727 3.375 71 2HZ LYS 9 2HZ LYS 9 -1.316 3.308 3.874 72 3HZ LYS 9 3HZ LYS 9 0.013 2.491 3.248 73 H MET 10 H MET 10 5.068 4.651 1.437 74 HA MET 10 HA MET 10 5.640 1.889 2.178 75 1HB MET 10 1HB MET 10 7.139 3.964 1.679 76 2HB MET 10 2HB MET 10 7.043 4.089 3.457 77 1HG MET 10 1HG MET 10 8.353 2.328 3.773 78 2HG MET 10 2HG MET 10 7.449 1.319 2.688 79 1HE MET 10 1HE MET 10 11.115 3.910 1.997 80 2HE MET 10 2HE MET 10 11.259 2.349 2.865 81 3HE MET 10 3HE MET 10 10.156 3.587 3.476 82 H LEU 11 H LEU 11 5.548 1.090 4.313 83 HA LEU 11 HA LEU 11 3.693 2.530 6.179 84 1HB LEU 11 1HB LEU 11 3.107 0.271 5.162 85 2HB LEU 11 2HB LEU 11 4.425 -0.416 5.987 86 HG LEU 11 HG LEU 11 2.594 1.038 7.758 87 1HD1 LEU 11 1HD1 LEU 11 1.740 -1.720 6.679 88 2HD1 LEU 11 2HD1 LEU 11 1.086 -0.219 6.032 89 3HD1 LEU 11 3HD1 LEU 11 0.781 -0.624 7.708 90 1HD2 LEU 11 1HD2 LEU 11 4.602 -0.422 8.525 91 2HD2 LEU 11 2HD2 LEU 11 3.789 -1.840 7.920 92 3HD2 LEU 11 3HD2 LEU 11 3.030 -0.890 9.225 93 H SER 12 H SER 12 6.492 0.122 6.144 94 HA SER 12 HA SER 12 7.852 1.791 8.075 95 1HB SER 12 1HB SER 12 7.709 0.720 10.014 96 2HB SER 12 2HB SER 12 6.022 0.666 9.445 97 HG SER 12 HG SER 12 6.565 -1.366 10.095 98 H ASN 13 H ASN 13 9.899 1.488 8.120 99 HA ASN 13 HA ASN 13 11.207 -0.727 6.683 100 1HB ASN 13 1HB ASN 13 12.198 1.803 8.043 101 2HB ASN 13 2HB ASN 13 13.276 0.653 7.232 102 1HD2 ASN 13 1HD2 ASN 13 13.884 1.260 5.305 103 2HD2 ASN 13 2HD2 ASN 13 12.920 2.147 4.151 104 H GLU 14 H GLU 14 13.158 -1.728 8.011 105 HA GLU 14 HA GLU 14 12.485 -1.821 10.916 106 1HB GLU 14 1HB GLU 14 13.723 -4.151 9.635 107 2HB GLU 14 2HB GLU 14 12.668 -4.074 11.059 108 1HG GLU 14 1HG GLU 14 11.551 -3.515 8.313 109 2HG GLU 14 2HG GLU 14 11.806 -5.153 8.865 110 H ASN 15 H ASN 15 14.976 -2.697 8.594 111 HA ASN 15 HA ASN 15 17.109 -1.820 10.531 112 1HB ASN 15 1HB ASN 15 17.458 -3.693 8.264 113 2HB ASN 15 2HB ASN 15 18.642 -3.305 9.549 114 1HD2 ASN 15 1HD2 ASN 15 18.061 -3.843 11.809 115 2HD2 ASN 15 2HD2 ASN 15 17.079 -5.235 12.118 116 H PHE 16 H PHE 16 16.019 0.282 9.118 117 HA PHE 16 HA PHE 16 17.411 0.779 6.579 118 1HB PHE 16 1HB PHE 16 15.175 1.765 7.268 119 2HB PHE 16 2HB PHE 16 16.114 2.890 8.244 120 HD1 PHE 16 HD1 PHE 16 16.497 1.439 4.667 121 HD2 PHE 16 HD2 PHE 16 16.242 4.949 7.106 122 HE1 PHE 16 HE1 PHE 16 16.775 2.799 2.692 123 HE2 PHE 16 HE2 PHE 16 16.561 6.344 5.074 124 HZ PHE 16 HZ PHE 16 16.819 5.278 2.861 125 H GLU 17 H GLU 17 17.913 1.343 10.015 126 HA GLU 17 HA GLU 17 20.051 3.317 9.612 127 1HB GLU 17 1HB GLU 17 18.697 3.387 11.587 128 2HB GLU 17 2HB GLU 17 19.447 1.885 12.146 129 1HG GLU 17 1HG GLU 17 21.670 2.861 11.963 130 2HG GLU 17 2HG GLU 17 21.035 4.390 11.409 131 H GLU 18 H GLU 18 19.915 -0.241 10.444 132 HA GLU 18 HA GLU 18 22.802 -0.449 10.725 133 1HB GLU 18 1HB GLU 18 20.627 -2.512 10.502 134 2HB GLU 18 2HB GLU 18 22.377 -2.874 10.496 135 1HG GLU 18 1HG GLU 18 22.241 -1.115 12.648 136 2HG GLU 18 2HG GLU 18 20.661 -1.875 12.729 137 H TYR 19 H TYR 19 20.486 -0.417 8.109 138 HA TYR 19 HA TYR 19 21.987 -1.956 6.188 139 1HB TYR 19 1HB TYR 19 19.632 -1.748 5.832 140 2HB TYR 19 2HB TYR 19 19.672 0.025 5.988 141 HD1 TYR 19 HD1 TYR 19 21.634 -2.463 3.935 142 HD2 TYR 19 HD2 TYR 19 19.122 1.038 3.908 143 HE1 TYR 19 HE1 TYR 19 21.884 -2.297 1.510 144 HE2 TYR 19 HE2 TYR 19 19.349 1.212 1.504 145 HH TYR 19 HH TYR 19 20.810 -1.211 -0.466 146 H LEU 20 H LEU 20 21.879 1.465 7.045 147 HA LEU 20 HA LEU 20 23.670 2.329 4.922 148 1HB LEU 20 1HB LEU 20 23.093 3.782 7.504 149 2HB LEU 20 2HB LEU 20 23.831 4.454 6.105 150 HG LEU 20 HG LEU 20 21.002 3.367 6.071 151 1HD1 LEU 20 1HD1 LEU 20 20.456 5.961 6.010 152 2HD1 LEU 20 2HD1 LEU 20 22.058 6.158 6.802 153 3HD1 LEU 20 3HD1 LEU 20 20.843 5.180 7.586 154 1HD2 LEU 20 1HD2 LEU 20 22.506 3.882 3.870 155 2HD2 LEU 20 2HD2 LEU 20 22.050 5.552 4.214 156 3HD2 LEU 20 3HD2 LEU 20 20.794 4.389 3.859 157 H ARG 21 H ARG 21 23.910 1.511 8.322 158 HA ARG 21 HA ARG 21 26.668 2.213 8.708 159 1HB ARG 21 1HB ARG 21 24.831 1.855 10.427 160 2HB ARG 21 2HB ARG 21 25.110 0.107 10.289 161 1HG ARG 21 1HG ARG 21 27.664 0.874 10.795 162 2HG ARG 21 2HG ARG 21 26.855 2.332 11.359 163 1HD ARG 21 1HD ARG 21 26.305 -0.482 12.397 164 2HD ARG 21 2HD ARG 21 27.317 0.718 13.226 165 HE ARG 21 HE ARG 21 24.663 1.768 12.767 166 1HH1 ARG 21 1HH1 ARG 21 26.555 -0.525 14.707 167 2HH1 ARG 21 2HH1 ARG 21 25.501 -0.485 16.071 168 1HH2 ARG 21 1HH2 ARG 21 23.281 1.825 14.559 169 2HH2 ARG 21 2HH2 ARG 21 23.541 0.919 16.009 170 H ALA 22 H ALA 22 24.965 -0.513 7.404 171 HA ALA 22 HA ALA 22 27.099 -2.523 7.564 172 1HB ALA 22 1HB ALA 22 24.379 -2.276 6.246 173 2HB ALA 22 2HB ALA 22 24.980 -3.418 7.499 174 3HB ALA 22 3HB ALA 22 25.462 -3.617 5.793 175 H LEU 23 H LEU 23 26.162 0.094 5.407 176 HA LEU 23 HA LEU 23 27.970 -0.815 3.279 177 1HB LEU 23 1HB LEU 23 25.963 1.413 3.367 178 2HB LEU 23 2HB LEU 23 27.078 1.140 2.060 179 HG LEU 23 HG LEU 23 25.011 -0.950 3.004 180 1HD1 LEU 23 1HD1 LEU 23 23.533 -0.174 1.353 181 2HD1 LEU 23 2HD1 LEU 23 24.804 0.820 0.586 182 3HD1 LEU 23 3HD1 LEU 23 24.171 1.317 2.134 183 1HD2 LEU 23 1HD2 LEU 23 27.181 -0.917 0.952 184 2HD2 LEU 23 2HD2 LEU 23 25.613 -1.256 0.204 185 3HD2 LEU 23 3HD2 LEU 23 26.231 -2.332 1.467 186 H ASP 24 H ASP 24 27.770 1.170 6.005 187 HA ASP 24 HA ASP 24 29.101 2.662 7.065 188 1HB ASP 24 1HB ASP 24 31.064 1.497 5.205 189 2HB ASP 24 2HB ASP 24 31.477 2.935 6.227 190 H VAL 25 H VAL 25 27.416 4.111 5.826 191 HA VAL 25 HA VAL 25 28.743 5.951 3.927 192 HB VAL 25 HB VAL 25 26.090 6.632 5.032 193 1HG1 VAL 25 1HG1 VAL 25 26.505 7.982 3.207 194 2HG1 VAL 25 2HG1 VAL 25 25.827 6.628 2.263 195 3HG1 VAL 25 3HG1 VAL 25 27.572 6.817 2.440 196 1HG2 VAL 25 1HG2 VAL 25 25.619 4.304 4.908 197 2HG2 VAL 25 2HG2 VAL 25 26.722 4.007 3.586 198 3HG2 VAL 25 3HG2 VAL 25 25.179 4.861 3.256 199 H ASN 26 H ASN 26 27.224 8.305 5.234 200 HA ASN 26 HA ASN 26 29.220 8.893 7.333 201 1HB ASN 26 1HB ASN 26 27.663 11.118 6.920 202 2HB ASN 26 2HB ASN 26 29.400 10.810 6.698 203 1HD2 ASN 26 1HD2 ASN 26 29.197 8.791 4.554 204 2HD2 ASN 26 2HD2 ASN 26 28.702 9.630 3.124 205 H VAL 27 H VAL 27 28.577 10.092 9.222 206 HA VAL 27 HA VAL 27 26.521 8.824 10.726 207 HB VAL 27 HB VAL 27 27.890 11.376 11.468 208 1HG1 VAL 27 1HG1 VAL 27 27.567 10.134 13.825 209 2HG1 VAL 27 2HG1 VAL 27 26.452 9.101 12.902 210 3HG1 VAL 27 3HG1 VAL 27 26.140 10.848 13.080 211 1HG2 VAL 27 1HG2 VAL 27 29.749 9.980 10.904 212 2HG2 VAL 27 2HG2 VAL 27 28.942 8.546 11.589 213 3HG2 VAL 27 3HG2 VAL 27 29.565 9.761 12.673 214 H ALA 28 H ALA 28 26.813 12.016 9.233 215 HA ALA 28 HA ALA 28 24.367 13.125 10.390 216 1HB ALA 28 1HB ALA 28 26.391 13.996 8.361 217 2HB ALA 28 2HB ALA 28 25.822 14.761 9.891 218 3HB ALA 28 3HB ALA 28 24.788 14.812 8.461 219 H LEU 29 H LEU 29 25.012 11.264 7.440 220 HA LEU 29 HA LEU 29 22.519 11.924 6.086 221 1HB LEU 29 1HB LEU 29 24.920 10.727 5.368 222 2HB LEU 29 2HB LEU 29 23.842 9.354 5.595 223 HG LEU 29 HG LEU 29 22.882 11.693 3.994 224 1HD1 LEU 29 1HD1 LEU 29 25.053 9.763 3.116 225 2HD1 LEU 29 2HD1 LEU 29 24.960 11.512 2.813 226 3HD1 LEU 29 3HD1 LEU 29 23.975 10.417 1.880 227 1HD2 LEU 29 1HD2 LEU 29 22.396 8.645 3.818 228 2HD2 LEU 29 2HD2 LEU 29 21.868 9.782 2.584 229 3HD2 LEU 29 3HD2 LEU 29 21.271 9.920 4.266 230 H ARG 30 H ARG 30 23.640 9.550 8.389 231 HA ARG 30 HA ARG 30 21.461 7.607 8.099 232 1HB ARG 30 1HB ARG 30 22.988 6.425 9.166 233 2HB ARG 30 2HB ARG 30 23.932 7.876 9.508 234 1HG ARG 30 1HG ARG 30 22.295 8.304 11.493 235 2HG ARG 30 2HG ARG 30 21.771 6.626 11.175 236 1HD ARG 30 1HD ARG 30 24.318 6.047 11.398 237 2HD ARG 30 2HD ARG 30 24.482 7.692 11.972 238 HE ARG 30 HE ARG 30 23.088 5.500 13.363 239 1HH1 ARG 30 1HH1 ARG 30 24.131 8.981 13.318 240 2HH1 ARG 30 2HH1 ARG 30 23.839 9.124 15.019 241 1HH2 ARG 30 1HH2 ARG 30 22.790 5.822 15.487 242 2HH2 ARG 30 2HH2 ARG 30 23.080 7.332 16.331 243 H LYS 31 H LYS 31 22.038 10.424 10.060 244 HA LYS 31 HA LYS 31 19.847 10.038 11.957 245 1HB LYS 31 1HB LYS 31 21.752 11.284 12.630 246 2HB LYS 31 2HB LYS 31 21.708 12.327 11.212 247 1HG LYS 31 1HG LYS 31 19.854 13.596 12.024 248 2HG LYS 31 2HG LYS 31 19.323 12.315 13.111 249 1HD LYS 31 1HD LYS 31 22.089 13.200 13.612 250 2HD LYS 31 2HD LYS 31 20.950 14.536 13.650 251 1HE LYS 31 1HE LYS 31 20.796 11.965 15.388 252 2HE LYS 31 2HE LYS 31 21.137 13.600 15.981 253 1HZ LYS 31 1HZ LYS 31 18.660 12.331 15.131 254 2HZ LYS 31 2HZ LYS 31 18.748 13.958 14.736 255 3HZ LYS 31 3HZ LYS 31 18.869 13.473 16.352 256 H ILE 32 H ILE 32 20.309 11.885 8.902 257 HA ILE 32 HA ILE 32 17.721 13.179 8.958 258 HB ILE 32 HB ILE 32 19.609 12.567 6.656 259 1HG1 ILE 32 1HG1 ILE 32 20.679 14.045 8.262 260 2HG1 ILE 32 2HG1 ILE 32 20.266 14.991 6.830 261 1HG2 ILE 32 1HG2 ILE 32 18.365 14.549 5.547 262 2HG2 ILE 32 2HG2 ILE 32 17.134 14.443 6.799 263 3HG2 ILE 32 3HG2 ILE 32 17.381 13.056 5.732 264 1HD1 ILE 32 1HD1 ILE 32 18.673 16.238 7.896 265 2HD1 ILE 32 2HD1 ILE 32 19.862 16.011 9.199 266 3HD1 ILE 32 3HD1 ILE 32 18.383 15.058 9.204 267 H ALA 33 H ALA 33 19.177 10.648 6.878 268 HA ALA 33 HA ALA 33 17.021 9.780 5.443 269 1HB ALA 33 1HB ALA 33 19.261 8.023 6.460 270 2HB ALA 33 2HB ALA 33 19.314 9.072 5.008 271 3HB ALA 33 3HB ALA 33 18.168 7.733 5.059 272 H ASN 34 H ASN 34 17.553 9.113 8.864 273 HA ASN 34 HA ASN 34 15.630 6.871 8.884 274 1HB ASN 34 1HB ASN 34 17.321 8.200 10.891 275 2HB ASN 34 2HB ASN 34 15.757 7.480 11.422 276 1HD2 ASN 34 1HD2 ASN 34 17.844 6.237 8.771 277 2HD2 ASN 34 2HD2 ASN 34 18.177 4.702 9.541 278 H LEU 35 H LEU 35 15.462 10.338 9.027 279 HA LEU 35 HA LEU 35 12.905 10.383 10.501 280 1HB LEU 35 1HB LEU 35 14.799 12.366 9.398 281 2HB LEU 35 2HB LEU 35 13.078 12.797 9.494 282 HG LEU 35 HG LEU 35 14.479 13.522 11.435 283 1HD1 LEU 35 1HD1 LEU 35 12.585 12.129 12.991 284 2HD1 LEU 35 2HD1 LEU 35 11.851 12.145 11.354 285 3HD1 LEU 35 3HD1 LEU 35 12.335 13.656 12.163 286 1HD2 LEU 35 1HD2 LEU 35 14.614 10.473 11.723 287 2HD2 LEU 35 2HD2 LEU 35 14.510 11.417 13.236 288 3HD2 LEU 35 3HD2 LEU 35 15.902 11.608 12.166 289 H LEU 36 H LEU 36 14.003 9.989 7.180 290 HA LEU 36 HA LEU 36 11.200 10.615 6.248 291 1HB LEU 36 1HB LEU 36 12.100 11.427 4.241 292 2HB LEU 36 2HB LEU 36 13.009 12.220 5.413 293 HG LEU 36 HG LEU 36 14.324 9.712 4.606 294 1HD1 LEU 36 1HD1 LEU 36 14.897 10.772 2.243 295 2HD1 LEU 36 2HD1 LEU 36 13.447 11.783 2.515 296 3HD1 LEU 36 3HD1 LEU 36 13.282 10.049 2.475 297 1HD2 LEU 36 1HD2 LEU 36 15.608 11.384 5.737 298 2HD2 LEU 36 2HD2 LEU 36 15.121 12.691 4.598 299 3HD2 LEU 36 3HD2 LEU 36 16.213 11.422 4.081 300 H LYS 37 H LYS 37 10.845 9.329 4.081 301 HA LYS 37 HA LYS 37 12.359 6.761 3.983 302 1HB LYS 37 1HB LYS 37 10.136 5.495 4.033 303 2HB LYS 37 2HB LYS 37 10.708 6.053 5.586 304 1HG LYS 37 1HG LYS 37 9.157 8.109 5.312 305 2HG LYS 37 2HG LYS 37 8.587 7.447 3.790 306 1HD LYS 37 1HD LYS 37 6.964 6.660 5.112 307 2HD LYS 37 2HD LYS 37 8.115 5.313 5.347 308 1HE LYS 37 1HE LYS 37 8.705 6.013 7.582 309 2HE LYS 37 2HE LYS 37 8.241 7.699 7.245 310 1HZ LYS 37 1HZ LYS 37 5.904 6.876 7.117 311 2HZ LYS 37 2HZ LYS 37 6.609 6.836 8.625 312 3HZ LYS 37 3HZ LYS 37 6.434 5.403 7.806 313 HA PRO 38 HA PRO 38 11.467 7.750 -0.301 314 1HB PRO 38 1HB PRO 38 12.629 5.593 -1.410 315 2HB PRO 38 2HB PRO 38 13.559 6.749 -0.464 316 1HG PRO 38 1HG PRO 38 12.430 4.125 0.469 317 2HG PRO 38 2HG PRO 38 14.155 4.711 0.510 318 1HD PRO 38 1HD PRO 38 12.446 5.118 2.667 319 2HD PRO 38 2HD PRO 38 13.667 6.341 2.161 320 H ASP 39 H ASP 39 9.378 7.788 -0.884 321 HA ASP 39 HA ASP 39 7.844 5.277 -0.979 322 1HB ASP 39 1HB ASP 39 6.897 7.890 -2.252 323 2HB ASP 39 2HB ASP 39 5.959 6.542 -1.587 324 H LYS 40 H LYS 40 7.117 4.327 -2.966 325 HA LYS 40 HA LYS 40 8.752 5.125 -5.380 326 1HB LYS 40 1HB LYS 40 8.233 2.448 -4.071 327 2HB LYS 40 2HB LYS 40 8.333 2.566 -5.830 328 1HG LYS 40 1HG LYS 40 10.633 3.436 -5.706 329 2HG LYS 40 2HG LYS 40 10.403 3.866 -4.033 330 1HD LYS 40 1HD LYS 40 10.474 1.497 -3.318 331 2HD LYS 40 2HD LYS 40 10.327 0.953 -4.986 332 1HE LYS 40 1HE LYS 40 12.695 0.724 -4.506 333 2HE LYS 40 2HE LYS 40 12.524 2.186 -5.476 334 1HZ LYS 40 1HZ LYS 40 12.350 2.755 -2.689 335 2HZ LYS 40 2HZ LYS 40 13.321 3.385 -3.908 336 3HZ LYS 40 3HZ LYS 40 13.766 1.945 -3.100 337 H GLU 41 H GLU 41 7.853 4.713 -7.369 338 HA GLU 41 HA GLU 41 4.922 4.209 -7.541 339 1HB GLU 41 1HB GLU 41 4.985 6.622 -7.506 340 2HB GLU 41 2HB GLU 41 6.465 6.648 -8.523 341 1HG GLU 41 1HG GLU 41 5.229 6.169 -10.478 342 2HG GLU 41 2HG GLU 41 3.895 5.419 -9.650 343 H ILE 42 H ILE 42 5.225 2.330 -8.758 344 HA ILE 42 HA ILE 42 7.441 2.408 -10.782 345 HB ILE 42 HB ILE 42 5.804 0.184 -9.611 346 1HG1 ILE 42 1HG1 ILE 42 8.509 1.342 -9.168 347 2HG1 ILE 42 2HG1 ILE 42 7.423 0.471 -8.117 348 1HG2 ILE 42 1HG2 ILE 42 7.979 0.045 -11.791 349 2HG2 ILE 42 2HG2 ILE 42 6.241 -0.172 -12.136 350 3HG2 ILE 42 3HG2 ILE 42 7.138 -1.368 -11.170 351 1HD1 ILE 42 1HD1 ILE 42 9.375 -0.699 -10.190 352 2HD1 ILE 42 2HD1 ILE 42 8.104 -1.705 -9.408 353 3HD1 ILE 42 3HD1 ILE 42 9.356 -0.936 -8.453 354 H VAL 43 H VAL 43 7.082 2.001 -12.931 355 HA VAL 43 HA VAL 43 4.306 1.750 -13.896 356 HB VAL 43 HB VAL 43 6.303 3.704 -15.083 357 1HG1 VAL 43 1HG1 VAL 43 4.346 4.504 -16.469 358 2HG1 VAL 43 2HG1 VAL 43 3.369 3.206 -15.797 359 3HG1 VAL 43 3HG1 VAL 43 4.821 2.805 -16.768 360 1HG2 VAL 43 1HG2 VAL 43 4.422 5.451 -14.306 361 2HG2 VAL 43 2HG2 VAL 43 5.527 4.870 -13.083 362 3HG2 VAL 43 3HG2 VAL 43 3.886 4.194 -13.181 363 H GLN 44 H GLN 44 4.121 0.707 -15.804 364 HA GLN 44 HA GLN 44 6.571 -0.445 -17.040 365 1HB GLN 44 1HB GLN 44 4.950 -1.741 -15.185 366 2HB GLN 44 2HB GLN 44 4.273 -2.297 -16.718 367 1HG GLN 44 1HG GLN 44 6.738 -2.943 -17.348 368 2HG GLN 44 2HG GLN 44 7.100 -2.708 -15.654 369 1HE2 GLN 44 1HE2 GLN 44 7.521 -5.231 -16.427 370 2HE2 GLN 44 2HE2 GLN 44 6.248 -6.311 -15.990 371 H ASP 45 H ASP 45 6.433 -0.350 -19.262 372 HA ASP 45 HA ASP 45 3.707 0.180 -20.412 373 1HB ASP 45 1HB ASP 45 6.597 0.748 -21.320 374 2HB ASP 45 2HB ASP 45 5.335 0.632 -22.521 375 H GLY 46 H GLY 46 6.773 -1.678 -20.863 376 1HA GLY 46 1HA GLY 46 5.258 -4.072 -21.461 377 2HA GLY 46 2HA GLY 46 6.030 -3.320 -22.938 378 H ASP 47 H ASP 47 8.186 -3.959 -23.194 379 HA ASP 47 HA ASP 47 9.481 -5.620 -21.197 380 1HB ASP 47 1HB ASP 47 10.995 -4.448 -23.476 381 2HB ASP 47 2HB ASP 47 11.182 -6.003 -22.685 382 H HIS 48 H HIS 48 9.331 -2.260 -21.960 383 HA HIS 48 HA HIS 48 11.790 -1.521 -20.502 384 1HB HIS 48 1HB HIS 48 9.679 0.416 -21.488 385 2HB HIS 48 2HB HIS 48 11.447 0.643 -21.356 386 HD1 HIS 48 HD1 HIS 48 9.863 1.287 -23.979 387 HD2 HIS 48 HD2 HIS 48 11.975 -2.240 -23.165 388 HE1 HIS 48 HE1 HIS 48 10.466 0.248 -26.231 389 HE2 HIS 48 HE2 HIS 48 11.772 -1.931 -25.751 390 H MET 49 H MET 49 11.840 -0.804 -18.556 391 HA MET 49 HA MET 49 9.220 -0.321 -17.146 392 1HB MET 49 1HB MET 49 10.230 -2.401 -16.560 393 2HB MET 49 2HB MET 49 11.763 -1.591 -16.183 394 1HG MET 49 1HG MET 49 11.112 -0.825 -14.221 395 2HG MET 49 2HG MET 49 9.421 -0.524 -14.700 396 1HE MET 49 1HE MET 49 10.798 -2.893 -11.785 397 2HE MET 49 2HE MET 49 11.959 -2.438 -13.074 398 3HE MET 49 3HE MET 49 11.428 -4.140 -12.939 399 H ILE 50 H ILE 50 9.223 1.383 -15.659 400 HA ILE 50 HA ILE 50 11.637 3.177 -15.494 401 HB ILE 50 HB ILE 50 8.751 4.104 -15.403 402 1HG1 ILE 50 1HG1 ILE 50 10.521 4.112 -17.915 403 2HG1 ILE 50 2HG1 ILE 50 9.138 3.106 -17.665 404 1HG2 ILE 50 1HG2 ILE 50 11.190 5.417 -14.781 405 2HG2 ILE 50 2HG2 ILE 50 9.691 6.259 -15.069 406 3HG2 ILE 50 3HG2 ILE 50 10.807 6.070 -16.399 407 1HD1 ILE 50 1HD1 ILE 50 8.794 5.333 -19.009 408 2HD1 ILE 50 2HD1 ILE 50 8.926 6.158 -17.462 409 3HD1 ILE 50 3HD1 ILE 50 7.592 5.015 -17.721 410 H ILE 51 H ILE 51 12.233 3.406 -13.424 411 HA ILE 51 HA ILE 51 10.214 2.781 -11.293 412 HB ILE 51 HB ILE 51 13.204 2.434 -11.477 413 1HG1 ILE 51 1HG1 ILE 51 12.703 0.328 -10.319 414 2HG1 ILE 51 2HG1 ILE 51 11.055 0.764 -10.053 415 1HG2 ILE 51 1HG2 ILE 51 12.861 3.924 -9.407 416 2HG2 ILE 51 2HG2 ILE 51 13.367 2.305 -8.982 417 3HG2 ILE 51 3HG2 ILE 51 11.644 2.763 -8.852 418 1HD1 ILE 51 1HD1 ILE 51 11.105 -0.699 -12.002 419 2HD1 ILE 51 2HD1 ILE 51 12.405 0.211 -12.821 420 3HD1 ILE 51 3HD1 ILE 51 10.780 0.884 -12.677 421 H ARG 52 H ARG 52 9.620 4.566 -10.088 422 HA ARG 52 HA ARG 52 11.331 7.043 -10.302 423 1HB ARG 52 1HB ARG 52 8.395 6.476 -10.419 424 2HB ARG 52 2HB ARG 52 8.854 7.919 -9.554 425 1HG ARG 52 1HG ARG 52 10.069 7.260 -12.274 426 2HG ARG 52 2HG ARG 52 8.471 7.969 -12.242 427 1HD ARG 52 1HD ARG 52 10.737 9.253 -10.667 428 2HD ARG 52 2HD ARG 52 10.624 9.544 -12.428 429 HE ARG 52 HE ARG 52 8.115 10.135 -11.452 430 1HH1 ARG 52 1HH1 ARG 52 11.427 11.346 -10.815 431 2HH1 ARG 52 2HH1 ARG 52 10.835 12.922 -10.410 432 1HH2 ARG 52 1HH2 ARG 52 7.440 12.221 -10.936 433 2HH2 ARG 52 2HH2 ARG 52 8.602 13.452 -10.475 434 H THR 53 H THR 53 12.557 7.083 -8.452 435 HA THR 53 HA THR 53 11.230 6.266 -5.876 436 HB THR 53 HB THR 53 14.096 7.029 -6.613 437 HG1 THR 53 HG1 THR 53 14.412 4.777 -6.053 438 1HG2 THR 53 1HG2 THR 53 14.643 7.023 -4.324 439 2HG2 THR 53 2HG2 THR 53 13.639 5.622 -3.949 440 3HG2 THR 53 3HG2 THR 53 12.938 7.251 -3.996 441 H LEU 54 H LEU 54 10.397 7.796 -4.614 442 HA LEU 54 HA LEU 54 10.926 10.673 -5.206 443 1HB LEU 54 1HB LEU 54 8.386 9.204 -5.109 444 2HB LEU 54 2HB LEU 54 8.498 10.855 -4.478 445 HG LEU 54 HG LEU 54 9.726 11.326 -6.787 446 1HD1 LEU 54 1HD1 LEU 54 8.497 9.782 -8.529 447 2HD1 LEU 54 2HD1 LEU 54 8.535 8.615 -7.173 448 3HD1 LEU 54 3HD1 LEU 54 10.039 9.373 -7.783 449 1HD2 LEU 54 1HD2 LEU 54 6.716 10.870 -6.311 450 2HD2 LEU 54 2HD2 LEU 54 7.324 11.728 -7.769 451 3HD2 LEU 54 3HD2 LEU 54 7.583 12.396 -6.132 452 H SER 55 H SER 55 12.391 10.824 -3.505 453 HA SER 55 HA SER 55 11.232 10.813 -0.763 454 1HB SER 55 1HB SER 55 14.106 10.753 -1.903 455 2HB SER 55 2HB SER 55 13.803 11.217 -0.242 456 HG SER 55 HG SER 55 13.868 8.761 -1.309 457 H THR 56 H THR 56 11.003 12.938 0.224 458 HA THR 56 HA THR 56 11.163 15.249 -1.391 459 HB THR 56 HB THR 56 11.274 16.452 0.900 460 HG1 THR 56 HG1 THR 56 11.790 15.045 2.352 461 1HG2 THR 56 1HG2 THR 56 8.974 14.594 -0.057 462 2HG2 THR 56 2HG2 THR 56 9.014 16.336 -0.113 463 3HG2 THR 56 3HG2 THR 56 8.748 15.523 1.425 464 H PHE 57 H PHE 57 13.504 13.452 0.336 465 HA PHE 57 HA PHE 57 15.590 15.563 0.357 466 1HB PHE 57 1HB PHE 57 15.019 13.548 2.051 467 2HB PHE 57 2HB PHE 57 16.010 12.631 0.909 468 HD1 PHE 57 HD1 PHE 57 16.317 16.201 2.078 469 HD2 PHE 57 HD2 PHE 57 18.067 12.224 2.189 470 HE1 PHE 57 HE1 PHE 57 18.288 17.073 3.279 471 HE2 PHE 57 HE2 PHE 57 20.004 13.145 3.385 472 HZ PHE 57 HZ PHE 57 20.158 15.569 3.949 473 H ARG 58 H ARG 58 17.467 13.008 -0.343 474 HA ARG 58 HA ARG 58 17.689 13.812 -3.130 475 1HB ARG 58 1HB ARG 58 19.674 12.967 -3.016 476 2HB ARG 58 2HB ARG 58 19.391 12.867 -1.275 477 1HG ARG 58 1HG ARG 58 18.748 10.480 -3.054 478 2HG ARG 58 2HG ARG 58 20.391 10.812 -2.429 479 1HD ARG 58 1HD ARG 58 19.427 10.913 -0.126 480 2HD ARG 58 2HD ARG 58 17.828 10.594 -0.741 481 HE ARG 58 HE ARG 58 19.645 8.619 -1.737 482 1HH1 ARG 58 1HH1 ARG 58 17.931 9.573 1.190 483 2HH1 ARG 58 2HH1 ARG 58 17.893 7.919 1.808 484 1HH2 ARG 58 1HH2 ARG 58 19.552 6.434 -0.833 485 2HH2 ARG 58 2HH2 ARG 58 18.794 6.203 0.685 486 H ASN 59 H ASN 59 17.157 12.828 -4.934 487 HA ASN 59 HA ASN 59 15.778 10.144 -5.000 488 1HB ASN 59 1HB ASN 59 14.357 11.244 -6.880 489 2HB ASN 59 2HB ASN 59 13.886 11.378 -5.189 490 1HD2 ASN 59 1HD2 ASN 59 14.302 13.406 -4.002 491 2HD2 ASN 59 2HD2 ASN 59 14.331 14.898 -4.857 492 H TYR 60 H TYR 60 16.126 8.961 -6.821 493 HA TYR 60 HA TYR 60 17.741 10.302 -8.979 494 1HB TYR 60 1HB TYR 60 18.768 7.964 -9.291 495 2HB TYR 60 2HB TYR 60 19.474 9.044 -8.028 496 HD1 TYR 60 HD1 TYR 60 18.757 8.649 -5.546 497 HD2 TYR 60 HD2 TYR 60 17.812 5.883 -8.666 498 HE1 TYR 60 HE1 TYR 60 18.312 6.958 -3.882 499 HE2 TYR 60 HE2 TYR 60 17.373 4.145 -6.954 500 HH TYR 60 HH TYR 60 17.823 3.636 -4.612 501 H ILE 61 H ILE 61 17.060 9.938 -10.901 502 HA ILE 61 HA ILE 61 14.568 8.324 -11.201 503 HB ILE 61 HB ILE 61 15.790 10.661 -12.587 504 1HG1 ILE 61 1HG1 ILE 61 13.156 11.010 -12.651 505 2HG1 ILE 61 2HG1 ILE 61 13.075 9.723 -11.508 506 1HG2 ILE 61 1HG2 ILE 61 15.199 10.132 -14.690 507 2HG2 ILE 61 2HG2 ILE 61 13.531 9.783 -14.204 508 3HG2 ILE 61 3HG2 ILE 61 14.744 8.494 -14.253 509 1HD1 ILE 61 1HD1 ILE 61 13.960 12.515 -11.013 510 2HD1 ILE 61 2HD1 ILE 61 15.035 11.323 -10.237 511 3HD1 ILE 61 3HD1 ILE 61 13.293 11.368 -9.858 512 H MET 62 H MET 62 14.738 6.390 -11.897 513 HA MET 62 HA MET 62 16.965 5.521 -13.726 514 1HB MET 62 1HB MET 62 15.535 3.332 -12.431 515 2HB MET 62 2HB MET 62 17.241 3.646 -12.498 516 1HG MET 62 1HG MET 62 16.896 5.350 -10.642 517 2HG MET 62 2HG MET 62 15.291 4.585 -10.397 518 1HE MET 62 1HE MET 62 19.098 4.074 -10.808 519 2HE MET 62 2HE MET 62 19.431 2.520 -9.995 520 3HE MET 62 3HE MET 62 19.201 3.998 -9.040 521 H ASP 63 H ASP 63 16.396 4.352 -15.456 522 HA ASP 63 HA ASP 63 13.525 3.809 -16.021 523 1HB ASP 63 1HB ASP 63 15.620 5.488 -17.489 524 2HB ASP 63 2HB ASP 63 14.720 4.378 -18.505 525 H PHE 64 H PHE 64 13.586 1.538 -16.140 526 HA PHE 64 HA PHE 64 16.224 0.347 -16.735 527 1HB PHE 64 1HB PHE 64 13.807 -0.291 -15.163 528 2HB PHE 64 2HB PHE 64 14.413 -1.666 -16.108 529 HD1 PHE 64 HD1 PHE 64 14.800 0.289 -13.178 530 HD2 PHE 64 HD2 PHE 64 17.000 -2.242 -15.872 531 HE1 PHE 64 HE1 PHE 64 16.490 -0.005 -11.404 532 HE2 PHE 64 HE2 PHE 64 18.710 -2.539 -14.139 533 HZ PHE 64 HZ PHE 64 18.481 -1.446 -11.914 534 H GLN 65 H GLN 65 16.061 -1.865 -17.565 535 HA GLN 65 HA GLN 65 14.180 -2.366 -19.759 536 1HB GLN 65 1HB GLN 65 17.226 -2.708 -20.104 537 2HB GLN 65 2HB GLN 65 16.033 -2.800 -21.366 538 1HG GLN 65 1HG GLN 65 16.277 -0.147 -19.874 539 2HG GLN 65 2HG GLN 65 17.509 -0.640 -21.037 540 1HE2 GLN 65 1HE2 GLN 65 16.633 1.381 -22.241 541 2HE2 GLN 65 2HE2 GLN 65 15.226 1.193 -23.213 542 H VAL 66 H VAL 66 13.401 -4.210 -18.893 543 HA VAL 66 HA VAL 66 14.753 -5.893 -17.015 544 HB VAL 66 HB VAL 66 12.345 -6.560 -18.772 545 1HG1 VAL 66 1HG1 VAL 66 12.760 -8.654 -17.796 546 2HG1 VAL 66 2HG1 VAL 66 12.089 -7.935 -16.350 547 3HG1 VAL 66 3HG1 VAL 66 13.857 -7.940 -16.614 548 1HG2 VAL 66 1HG2 VAL 66 12.344 -5.692 -15.820 549 2HG2 VAL 66 2HG2 VAL 66 10.974 -5.692 -16.943 550 3HG2 VAL 66 3HG2 VAL 66 12.217 -4.450 -17.111 551 H GLY 67 H GLY 67 16.281 -7.223 -17.225 552 1HA GLY 67 1HA GLY 67 17.522 -9.048 -18.023 553 2HA GLY 67 2HA GLY 67 16.326 -9.253 -19.252 554 H LYS 68 H LYS 68 18.260 -6.231 -18.899 555 HA LYS 68 HA LYS 68 19.729 -7.113 -21.372 556 1HB LYS 68 1HB LYS 68 17.716 -5.034 -21.198 557 2HB LYS 68 2HB LYS 68 19.238 -4.339 -21.699 558 1HG LYS 68 1HG LYS 68 19.246 -5.498 -23.755 559 2HG LYS 68 2HG LYS 68 18.499 -6.915 -23.018 560 1HD LYS 68 1HD LYS 68 16.538 -6.258 -24.028 561 2HD LYS 68 2HD LYS 68 16.480 -5.015 -22.740 562 1HE LYS 68 1HE LYS 68 16.786 -3.353 -24.155 563 2HE LYS 68 2HE LYS 68 18.112 -4.112 -25.043 564 1HZ LYS 68 1HZ LYS 68 16.091 -3.628 -26.361 565 2HZ LYS 68 2HZ LYS 68 15.231 -4.744 -25.415 566 3HZ LYS 68 3HZ LYS 68 16.491 -5.257 -26.405 567 H GLU 69 H GLU 69 20.147 -6.487 -18.401 568 HA GLU 69 HA GLU 69 21.856 -5.922 -17.064 569 1HB GLU 69 1HB GLU 69 23.106 -6.949 -18.954 570 2HB GLU 69 2HB GLU 69 23.607 -5.323 -19.453 571 1HG GLU 69 1HG GLU 69 24.576 -4.999 -17.118 572 2HG GLU 69 2HG GLU 69 24.074 -6.620 -16.702 573 H PHE 70 H PHE 70 22.844 -3.983 -16.075 574 HA PHE 70 HA PHE 70 22.492 -1.437 -17.501 575 1HB PHE 70 1HB PHE 70 20.565 -2.460 -15.668 576 2HB PHE 70 2HB PHE 70 21.437 -1.141 -14.849 577 HD1 PHE 70 HD1 PHE 70 20.979 1.110 -15.223 578 HD2 PHE 70 HD2 PHE 70 19.631 -1.832 -18.083 579 HE1 PHE 70 HE1 PHE 70 19.697 2.817 -16.447 580 HE2 PHE 70 HE2 PHE 70 18.350 -0.111 -19.327 581 HZ PHE 70 HZ PHE 70 18.404 2.257 -18.462 582 H GLU 71 H GLU 71 24.453 -0.473 -17.214 583 HA GLU 71 HA GLU 71 26.136 -1.059 -14.882 584 1HB GLU 71 1HB GLU 71 27.003 -0.821 -17.296 585 2HB GLU 71 2HB GLU 71 26.774 0.934 -17.083 586 1HG GLU 71 1HG GLU 71 28.233 0.678 -14.924 587 2HG GLU 71 2HG GLU 71 28.496 -0.955 -15.416 588 H GLU 72 H GLU 72 24.936 -0.080 -13.221 589 HA GLU 72 HA GLU 72 23.884 2.587 -13.351 590 1HB GLU 72 1HB GLU 72 24.185 0.489 -11.301 591 2HB GLU 72 2HB GLU 72 24.074 2.148 -10.698 592 1HG GLU 72 1HG GLU 72 22.143 0.706 -12.569 593 2HG GLU 72 2HG GLU 72 21.835 1.098 -10.861 594 H ASP 73 H ASP 73 24.400 4.221 -11.677 595 HA ASP 73 HA ASP 73 27.274 4.532 -11.041 596 1HB ASP 73 1HB ASP 73 27.157 5.471 -13.295 597 2HB ASP 73 2HB ASP 73 25.782 6.512 -12.764 598 H LEU 74 H LEU 74 25.652 4.032 -9.145 599 HA LEU 74 HA LEU 74 23.759 5.713 -8.112 600 1HB LEU 74 1HB LEU 74 25.600 3.755 -6.957 601 2HB LEU 74 2HB LEU 74 24.852 4.904 -5.848 602 HG LEU 74 HG LEU 74 23.630 2.777 -6.103 603 1HD1 LEU 74 1HD1 LEU 74 22.630 5.265 -5.669 604 2HD1 LEU 74 2HD1 LEU 74 21.712 3.759 -5.522 605 3HD1 LEU 74 3HD1 LEU 74 21.597 4.732 -7.008 606 1HD2 LEU 74 1HD2 LEU 74 22.934 3.966 -8.865 607 2HD2 LEU 74 2HD2 LEU 74 22.163 2.503 -8.209 608 3HD2 LEU 74 3HD2 LEU 74 23.894 2.510 -8.604 609 H THR 75 H THR 75 23.727 7.501 -6.732 610 HA THR 75 HA THR 75 26.175 8.767 -5.775 611 HB THR 75 HB THR 75 24.386 10.266 -7.741 612 HG1 THR 75 HG1 THR 75 26.718 10.304 -8.646 613 1HG2 THR 75 1HG2 THR 75 26.246 11.204 -5.663 614 2HG2 THR 75 2HG2 THR 75 25.273 12.173 -6.781 615 3HG2 THR 75 3HG2 THR 75 26.931 11.632 -7.230 616 H GLY 76 H GLY 76 25.273 8.485 -3.775 617 1HA GLY 76 1HA GLY 76 23.925 10.414 -2.436 618 2HA GLY 76 2HA GLY 76 22.559 9.641 -3.254 619 H ILE 77 H ILE 77 23.263 6.854 -3.158 620 HA ILE 77 HA ILE 77 22.898 6.488 -0.240 621 HB ILE 77 HB ILE 77 21.145 5.678 -1.776 622 1HG1 ILE 77 1HG1 ILE 77 20.761 3.627 -0.688 623 2HG1 ILE 77 2HG1 ILE 77 22.420 3.100 -0.863 624 1HG2 ILE 77 1HG2 ILE 77 21.485 4.357 -3.714 625 2HG2 ILE 77 2HG2 ILE 77 22.686 3.362 -2.883 626 3HG2 ILE 77 3HG2 ILE 77 23.144 4.909 -3.590 627 1HD1 ILE 77 1HD1 ILE 77 21.319 5.077 1.185 628 2HD1 ILE 77 2HD1 ILE 77 23.087 4.786 0.996 629 3HD1 ILE 77 3HD1 ILE 77 22.040 3.482 1.489 630 H ASP 78 H ASP 78 25.232 7.078 -0.233 631 HA ASP 78 HA ASP 78 27.283 6.288 0.498 632 1HB ASP 78 1HB ASP 78 26.089 4.090 0.994 633 2HB ASP 78 2HB ASP 78 26.717 3.539 -0.550 634 H ASP 79 H ASP 79 25.973 6.207 -2.716 635 HA ASP 79 HA ASP 79 26.846 6.420 -4.791 636 1HB ASP 79 1HB ASP 79 29.328 7.464 -4.572 637 2HB ASP 79 2HB ASP 79 27.767 8.314 -4.688 638 H ARG 80 H ARG 80 27.238 4.250 -5.700 639 HA ARG 80 HA ARG 80 30.089 3.672 -5.908 640 1HB ARG 80 1HB ARG 80 28.783 2.568 -3.737 641 2HB ARG 80 2HB ARG 80 28.613 1.297 -4.948 642 1HG ARG 80 1HG ARG 80 31.016 1.253 -5.326 643 2HG ARG 80 2HG ARG 80 31.300 2.652 -4.285 644 1HD ARG 80 1HD ARG 80 29.805 0.537 -2.847 645 2HD ARG 80 2HD ARG 80 31.214 -0.119 -3.671 646 HE ARG 80 HE ARG 80 31.251 1.886 -1.505 647 1HH1 ARG 80 1HH1 ARG 80 33.117 0.043 -3.829 648 2HH1 ARG 80 2HH1 ARG 80 34.644 0.291 -3.048 649 1HH2 ARG 80 1HH2 ARG 80 33.238 2.246 -0.412 650 2HH2 ARG 80 2HH2 ARG 80 34.690 1.548 -1.115 651 H LYS 81 H LYS 81 30.425 3.030 -7.949 652 HA LYS 81 HA LYS 81 28.266 2.461 -9.747 653 1HB LYS 81 1HB LYS 81 31.026 1.286 -10.153 654 2HB LYS 81 2HB LYS 81 29.960 1.896 -11.377 655 1HG LYS 81 1HG LYS 81 30.387 4.257 -10.322 656 2HG LYS 81 2HG LYS 81 31.792 3.533 -9.498 657 1HD LYS 81 1HD LYS 81 32.003 2.598 -12.188 658 2HD LYS 81 2HD LYS 81 31.416 4.240 -12.399 659 1HE LYS 81 1HE LYS 81 33.286 4.960 -10.761 660 2HE LYS 81 2HE LYS 81 33.988 3.342 -10.890 661 1HZ LYS 81 1HZ LYS 81 34.456 3.562 -13.107 662 2HZ LYS 81 2HZ LYS 81 34.925 5.019 -12.431 663 3HZ LYS 81 3HZ LYS 81 33.508 4.957 -13.327 664 H CYS 82 H CYS 82 27.662 0.408 -10.627 665 HA CYS 82 HA CYS 82 28.740 -2.104 -9.460 666 1HB CYS 82 1HB CYS 82 26.272 -2.684 -8.784 667 2HB CYS 82 2HB CYS 82 27.225 -1.691 -7.695 668 HG CYS 82 HG CYS 82 26.214 0.593 -8.449 669 H MET 83 H MET 83 27.380 -3.936 -10.515 670 HA MET 83 HA MET 83 26.383 -3.081 -13.176 671 1HB MET 83 1HB MET 83 28.121 -5.418 -12.307 672 2HB MET 83 2HB MET 83 27.150 -5.539 -13.798 673 1HG MET 83 1HG MET 83 28.328 -3.875 -14.905 674 2HG MET 83 2HG MET 83 28.889 -3.085 -13.433 675 1HE MET 83 1HE MET 83 29.574 -5.481 -16.319 676 2HE MET 83 2HE MET 83 29.410 -6.836 -15.192 677 3HE MET 83 3HE MET 83 31.043 -6.409 -15.824 678 H THR 84 H THR 84 24.280 -3.070 -12.550 679 HA THR 84 HA THR 84 23.083 -5.316 -10.966 680 HB THR 84 HB THR 84 22.146 -2.575 -11.586 681 HG1 THR 84 HG1 THR 84 23.953 -2.757 -10.253 682 1HG2 THR 84 1HG2 THR 84 20.070 -3.579 -10.913 683 2HG2 THR 84 2HG2 THR 84 20.772 -3.515 -9.311 684 3HG2 THR 84 3HG2 THR 84 20.866 -5.018 -10.258 685 H THR 85 H THR 85 22.099 -6.847 -12.143 686 HA THR 85 HA THR 85 20.639 -6.043 -14.633 687 HB THR 85 HB THR 85 21.548 -8.786 -13.711 688 HG1 THR 85 HG1 THR 85 22.550 -8.510 -15.963 689 1HG2 THR 85 1HG2 THR 85 20.478 -8.201 -16.505 690 2HG2 THR 85 2HG2 THR 85 19.261 -8.355 -15.213 691 3HG2 THR 85 3HG2 THR 85 20.294 -9.712 -15.589 692 H VAL 86 H VAL 86 18.524 -5.838 -14.292 693 HA VAL 86 HA VAL 86 17.285 -7.233 -11.961 694 HB VAL 86 HB VAL 86 16.337 -4.956 -13.784 695 1HG1 VAL 86 1HG1 VAL 86 14.306 -4.825 -12.289 696 2HG1 VAL 86 2HG1 VAL 86 14.801 -6.319 -11.478 697 3HG1 VAL 86 3HG1 VAL 86 14.410 -6.370 -13.191 698 1HG2 VAL 86 1HG2 VAL 86 17.991 -4.378 -11.820 699 2HG2 VAL 86 2HG2 VAL 86 16.725 -4.916 -10.697 700 3HG2 VAL 86 3HG2 VAL 86 16.459 -3.514 -11.759 701 H SER 87 H SER 87 15.714 -8.663 -12.244 702 HA SER 87 HA SER 87 14.580 -9.095 -14.908 703 1HB SER 87 1HB SER 87 16.909 -10.481 -14.310 704 2HB SER 87 2HB SER 87 15.635 -11.678 -13.965 705 HG SER 87 HG SER 87 15.817 -10.242 -16.376 706 H TRP 88 H TRP 88 13.405 -11.535 -14.743 707 HA TRP 88 HA TRP 88 11.990 -11.536 -12.137 708 1HB TRP 88 1HB TRP 88 9.855 -11.882 -13.383 709 2HB TRP 88 2HB TRP 88 10.604 -10.304 -13.701 710 HD1 TRP 88 HD1 TRP 88 11.612 -9.914 -16.197 711 HE1 TRP 88 HE1 TRP 88 11.109 -11.005 -18.447 712 HE3 TRP 88 HE3 TRP 88 9.195 -14.164 -14.519 713 HZ2 TRP 88 HZ2 TRP 88 9.868 -13.346 -19.424 714 HZ3 TRP 88 HZ3 TRP 88 8.390 -15.787 -16.260 715 HH2 TRP 88 HH2 TRP 88 8.732 -15.340 -18.645 716 H ASP 89 H ASP 89 11.766 -13.465 -11.327 717 HA ASP 89 HA ASP 89 11.725 -15.854 -13.055 718 1HB ASP 89 1HB ASP 89 14.192 -15.158 -12.285 719 2HB ASP 89 2HB ASP 89 13.696 -15.816 -10.715 720 H GLY 90 H GLY 90 9.978 -16.924 -12.251 721 1HA GLY 90 1HA GLY 90 8.695 -17.920 -10.573 722 2HA GLY 90 2HA GLY 90 9.742 -17.034 -9.326 723 H ASP 91 H ASP 91 8.680 -15.133 -11.948 724 HA ASP 91 HA ASP 91 6.992 -13.549 -12.260 725 1HB ASP 91 1HB ASP 91 5.555 -15.485 -11.491 726 2HB ASP 91 2HB ASP 91 5.457 -14.686 -9.931 727 H LYS 92 H LYS 92 9.070 -13.754 -9.731 728 HA LYS 92 HA LYS 92 7.933 -11.386 -8.256 729 1HB LYS 92 1HB LYS 92 10.299 -11.810 -7.063 730 2HB LYS 92 2HB LYS 92 8.758 -12.427 -6.502 731 1HG LYS 92 1HG LYS 92 9.272 -14.542 -8.002 732 2HG LYS 92 2HG LYS 92 10.942 -13.977 -7.967 733 1HD LYS 92 1HD LYS 92 10.784 -13.866 -5.431 734 2HD LYS 92 2HD LYS 92 9.286 -14.755 -5.512 735 1HE LYS 92 1HE LYS 92 10.864 -16.497 -5.265 736 2HE LYS 92 2HE LYS 92 10.583 -16.505 -7.017 737 1HZ LYS 92 1HZ LYS 92 12.960 -15.774 -5.527 738 2HZ LYS 92 2HZ LYS 92 12.580 -14.786 -6.836 739 3HZ LYS 92 3HZ LYS 92 12.790 -16.446 -7.074 740 H LEU 93 H LEU 93 9.705 -9.699 -7.780 741 HA LEU 93 HA LEU 93 11.365 -9.344 -10.279 742 1HB LEU 93 1HB LEU 93 9.512 -7.654 -8.914 743 2HB LEU 93 2HB LEU 93 11.049 -6.934 -8.644 744 HG LEU 93 HG LEU 93 9.917 -7.654 -11.385 745 1HD1 LEU 93 1HD1 LEU 93 10.212 -4.735 -10.739 746 2HD1 LEU 93 2HD1 LEU 93 8.958 -5.614 -9.823 747 3HD1 LEU 93 3HD1 LEU 93 8.898 -5.573 -11.577 748 1HD2 LEU 93 1HD2 LEU 93 11.974 -6.968 -12.332 749 2HD2 LEU 93 2HD2 LEU 93 12.618 -7.276 -10.722 750 3HD2 LEU 93 3HD2 LEU 93 12.191 -5.649 -11.185 751 H GLN 94 H GLN 94 13.137 -10.515 -9.459 752 HA GLN 94 HA GLN 94 14.322 -9.490 -6.927 753 1HB GLN 94 1HB GLN 94 15.465 -11.515 -6.698 754 2HB GLN 94 2HB GLN 94 13.808 -11.892 -7.195 755 1HG GLN 94 1HG GLN 94 14.425 -12.762 -9.262 756 2HG GLN 94 2HG GLN 94 15.823 -11.705 -9.416 757 1HE2 GLN 94 1HE2 GLN 94 14.706 -14.937 -8.553 758 2HE2 GLN 94 2HE2 GLN 94 16.229 -15.499 -7.955 759 H CYS 95 H CYS 95 16.679 -9.048 -6.886 760 HA CYS 95 HA CYS 95 17.863 -8.744 -9.613 761 1HB CYS 95 1HB CYS 95 18.628 -6.355 -8.523 762 2HB CYS 95 2HB CYS 95 17.322 -6.604 -9.712 763 HG CYS 95 HG CYS 95 16.843 -4.810 -7.637 764 H VAL 96 H VAL 96 20.126 -7.949 -9.390 765 HA VAL 96 HA VAL 96 21.462 -8.808 -6.859 766 HB VAL 96 HB VAL 96 22.030 -9.984 -9.530 767 1HG1 VAL 96 1HG1 VAL 96 23.538 -10.723 -6.937 768 2HG1 VAL 96 2HG1 VAL 96 23.993 -9.334 -7.924 769 3HG1 VAL 96 3HG1 VAL 96 24.016 -10.960 -8.633 770 1HG2 VAL 96 1HG2 VAL 96 20.915 -11.203 -6.887 771 2HG2 VAL 96 2HG2 VAL 96 21.464 -12.172 -8.254 772 3HG2 VAL 96 3HG2 VAL 96 20.116 -11.070 -8.492 773 H GLN 97 H GLN 97 22.971 -7.308 -6.471 774 HA GLN 97 HA GLN 97 23.960 -5.486 -8.692 775 1HB GLN 97 1HB GLN 97 23.784 -5.108 -5.678 776 2HB GLN 97 2HB GLN 97 24.649 -4.053 -6.777 777 1HG GLN 97 1HG GLN 97 22.801 -2.979 -7.479 778 2HG GLN 97 2HG GLN 97 21.906 -4.451 -7.775 779 1HE2 GLN 97 1HE2 GLN 97 19.967 -3.634 -7.073 780 2HE2 GLN 97 2HE2 GLN 97 19.626 -3.378 -5.403 781 H LYS 98 H LYS 98 25.937 -6.000 -9.359 782 HA LYS 98 HA LYS 98 27.718 -7.487 -7.510 783 1HB LYS 98 1HB LYS 98 27.701 -6.999 -10.462 784 2HB LYS 98 2HB LYS 98 29.178 -7.560 -9.666 785 1HG LYS 98 1HG LYS 98 26.824 -9.128 -8.883 786 2HG LYS 98 2HG LYS 98 27.006 -9.088 -10.677 787 1HD LYS 98 1HD LYS 98 29.532 -9.631 -9.148 788 2HD LYS 98 2HD LYS 98 28.313 -10.918 -9.184 789 1HE LYS 98 1HE LYS 98 28.239 -10.977 -11.535 790 2HE LYS 98 2HE LYS 98 29.184 -9.445 -11.678 791 1HZ LYS 98 1HZ LYS 98 31.113 -10.510 -11.378 792 2HZ LYS 98 2HZ LYS 98 30.239 -11.924 -11.798 793 3HZ LYS 98 3HZ LYS 98 30.510 -11.506 -10.176 794 H GLY 99 H GLY 99 28.062 -5.618 -6.129 795 1HA GLY 99 1HA GLY 99 30.260 -3.846 -7.158 796 2HA GLY 99 2HA GLY 99 28.826 -3.132 -6.380 797 H GLU 100 H GLU 100 31.379 -5.634 -5.700 798 HA GLU 100 HA GLU 100 32.456 -6.040 -3.677 799 1HB GLU 100 1HB GLU 100 31.739 -3.262 -3.568 800 2HB GLU 100 2HB GLU 100 32.087 -3.999 -2.016 801 1HG GLU 100 1HG GLU 100 34.132 -3.019 -3.163 802 2HG GLU 100 2HG GLU 100 34.283 -4.691 -2.631 803 H LYS 101 H LYS 101 32.112 -5.796 -1.178 804 HA LYS 101 HA LYS 101 31.003 -6.419 0.735 805 1HB LYS 101 1HB LYS 101 28.372 -5.746 -0.523 806 2HB LYS 101 2HB LYS 101 28.941 -5.610 1.130 807 1HG LYS 101 1HG LYS 101 30.099 -3.918 -1.161 808 2HG LYS 101 2HG LYS 101 28.698 -3.436 -0.188 809 1HD LYS 101 1HD LYS 101 30.366 -4.131 1.837 810 2HD LYS 101 2HD LYS 101 31.614 -3.780 0.663 811 1HE LYS 101 1HE LYS 101 30.920 -1.517 0.371 812 2HE LYS 101 2HE LYS 101 29.443 -1.755 1.387 813 1HZ LYS 101 1HZ LYS 101 31.082 -0.734 2.683 814 2HZ LYS 101 2HZ LYS 101 32.214 -1.943 2.303 815 3HZ LYS 101 3HZ LYS 101 30.882 -2.304 3.265 816 H GLU 102 H GLU 102 29.143 -7.764 1.584 817 HA GLU 102 HA GLU 102 28.653 -10.250 -0.041 818 1HB GLU 102 1HB GLU 102 29.062 -9.950 2.963 819 2HB GLU 102 2HB GLU 102 28.561 -11.395 2.104 820 1HG GLU 102 1HG GLU 102 30.766 -11.183 0.788 821 2HG GLU 102 2HG GLU 102 31.283 -9.952 1.940 822 H GLY 103 H GLY 103 26.462 -9.444 -0.660 823 1HA GLY 103 1HA GLY 103 24.285 -10.417 0.588 824 2HA GLY 103 2HA GLY 103 24.599 -9.097 1.626 825 H ARG 104 H ARG 104 25.573 -7.358 -0.742 826 HA ARG 104 HA ARG 104 23.385 -5.774 -1.128 827 1HB ARG 104 1HB ARG 104 25.729 -6.319 -2.885 828 2HB ARG 104 2HB ARG 104 24.437 -5.178 -3.338 829 1HG ARG 104 1HG ARG 104 24.911 -4.160 -0.941 830 2HG ARG 104 2HG ARG 104 26.465 -5.041 -1.145 831 1HD ARG 104 1HD ARG 104 27.215 -3.278 -2.332 832 2HD ARG 104 2HD ARG 104 26.119 -3.765 -3.620 833 HE ARG 104 HE ARG 104 25.090 -2.072 -1.433 834 1HH1 ARG 104 1HH1 ARG 104 25.698 -2.383 -4.935 835 2HH1 ARG 104 2HH1 ARG 104 24.784 -0.969 -5.282 836 1HH2 ARG 104 1HH2 ARG 104 23.869 -0.168 -2.031 837 2HH2 ARG 104 2HH2 ARG 104 23.823 0.205 -3.726 838 H GLY 105 H GLY 105 21.589 -5.884 -2.221 839 1HA GLY 105 1HA GLY 105 20.813 -6.555 -4.704 840 2HA GLY 105 2HA GLY 105 21.061 -8.174 -4.050 841 H TRP 106 H TRP 106 18.549 -6.757 -4.913 842 HA TRP 106 HA TRP 106 16.972 -6.798 -2.348 843 1HB TRP 106 1HB TRP 106 15.883 -5.691 -4.874 844 2HB TRP 106 2HB TRP 106 15.354 -5.523 -3.242 845 HD1 TRP 106 HD1 TRP 106 19.028 -4.722 -3.192 846 HE1 TRP 106 HE1 TRP 106 19.491 -2.155 -3.187 847 HE3 TRP 106 HE3 TRP 106 14.360 -3.201 -4.421 848 HZ2 TRP 106 HZ2 TRP 106 17.952 0.207 -3.660 849 HZ3 TRP 106 HZ3 TRP 106 13.905 -0.744 -4.627 850 HH2 TRP 106 HH2 TRP 106 15.689 0.935 -4.256 851 H THR 107 H THR 107 14.641 -7.554 -2.753 852 HA THR 107 HA THR 107 14.381 -9.430 -4.964 853 HB THR 107 HB THR 107 14.527 -10.350 -2.063 854 HG1 THR 107 HG1 THR 107 16.347 -10.832 -3.067 855 1HG2 THR 107 1HG2 THR 107 12.727 -11.792 -2.430 856 2HG2 THR 107 2HG2 THR 107 13.669 -12.590 -3.702 857 3HG2 THR 107 3HG2 THR 107 12.564 -11.250 -4.090 858 H GLN 108 H GLN 108 12.729 -8.033 -5.530 859 HA GLN 108 HA GLN 108 10.707 -7.242 -3.614 860 1HB GLN 108 1HB GLN 108 10.564 -7.102 -6.644 861 2HB GLN 108 2HB GLN 108 9.709 -6.107 -5.555 862 1HG GLN 108 1HG GLN 108 12.097 -5.260 -4.814 863 2HG GLN 108 2HG GLN 108 12.699 -6.065 -6.272 864 1HE2 GLN 108 1HE2 GLN 108 13.172 -4.213 -7.499 865 2HE2 GLN 108 2HE2 GLN 108 11.989 -2.999 -7.944 866 H TRP 109 H TRP 109 9.529 -8.974 -2.862 867 HA TRP 109 HA TRP 109 8.133 -10.744 -4.855 868 1HB TRP 109 1HB TRP 109 9.352 -12.123 -3.392 869 2HB TRP 109 2HB TRP 109 8.893 -11.128 -1.994 870 HD1 TRP 109 HD1 TRP 109 5.674 -11.271 -2.070 871 HE1 TRP 109 HE1 TRP 109 4.458 -13.479 -1.797 872 HE3 TRP 109 HE3 TRP 109 9.490 -14.402 -3.379 873 HZ2 TRP 109 HZ2 TRP 109 5.043 -16.267 -2.106 874 HZ3 TRP 109 HZ3 TRP 109 9.123 -16.845 -3.378 875 HH2 TRP 109 HH2 TRP 109 6.875 -17.799 -2.730 876 H ILE 110 H ILE 110 6.041 -10.553 -5.167 877 HA ILE 110 HA ILE 110 4.683 -8.420 -3.638 878 HB ILE 110 HB ILE 110 4.278 -9.795 -6.240 879 1HG1 ILE 110 1HG1 ILE 110 4.372 -6.895 -5.265 880 2HG1 ILE 110 2HG1 ILE 110 5.663 -7.770 -6.075 881 1HG2 ILE 110 1HG2 ILE 110 2.096 -8.395 -4.511 882 2HG2 ILE 110 2HG2 ILE 110 2.000 -9.938 -5.360 883 3HG2 ILE 110 3HG2 ILE 110 2.029 -8.395 -6.268 884 1HD1 ILE 110 1HD1 ILE 110 3.401 -8.059 -7.805 885 2HD1 ILE 110 2HD1 ILE 110 4.782 -6.987 -8.060 886 3HD1 ILE 110 3HD1 ILE 110 3.327 -6.417 -7.189 887 H GLU 111 H GLU 111 3.414 -8.820 -1.965 888 HA GLU 111 HA GLU 111 2.202 -11.528 -1.720 889 1HB GLU 111 1HB GLU 111 2.248 -9.202 0.272 890 2HB GLU 111 2HB GLU 111 1.585 -10.781 0.583 891 1HG GLU 111 1HG GLU 111 4.012 -11.713 -0.018 892 2HG GLU 111 2HG GLU 111 4.534 -10.046 0.163 893 H GLY 112 H GLY 112 0.752 -10.752 -3.548 894 1HA GLY 112 1HA GLY 112 -1.234 -10.071 -4.383 895 2HA GLY 112 2HA GLY 112 -1.867 -10.148 -2.690 896 H ASP 113 H ASP 113 -2.218 -8.226 -1.615 897 HA ASP 113 HA ASP 113 -1.985 -5.781 -3.202 898 1HB ASP 113 1HB ASP 113 -3.166 -4.727 -1.325 899 2HB ASP 113 2HB ASP 113 -4.014 -6.033 -2.162 900 H GLU 114 H GLU 114 0.380 -7.262 -1.728 901 HA GLU 114 HA GLU 114 1.470 -4.725 -0.468 902 1HB GLU 114 1HB GLU 114 1.225 -7.449 0.723 903 2HB GLU 114 2HB GLU 114 2.595 -6.418 1.109 904 1HG GLU 114 1HG GLU 114 0.732 -4.558 1.541 905 2HG GLU 114 2HG GLU 114 -0.333 -5.980 1.674 906 H LEU 115 H LEU 115 3.709 -4.643 -0.391 907 HA LEU 115 HA LEU 115 5.158 -6.381 -2.309 908 1HB LEU 115 1HB LEU 115 4.823 -3.514 -2.272 909 2HB LEU 115 2HB LEU 115 6.391 -3.752 -1.635 910 HG LEU 115 HG LEU 115 5.452 -4.095 -4.403 911 1HD1 LEU 115 1HD1 LEU 115 8.087 -3.530 -2.946 912 2HD1 LEU 115 2HD1 LEU 115 7.041 -2.337 -3.691 913 3HD1 LEU 115 3HD1 LEU 115 7.935 -3.456 -4.714 914 1HD2 LEU 115 1HD2 LEU 115 7.277 -6.144 -3.062 915 2HD2 LEU 115 2HD2 LEU 115 7.522 -5.767 -4.777 916 3HD2 LEU 115 3HD2 LEU 115 5.961 -6.437 -4.201 917 H HIS 116 H HIS 116 6.717 -7.565 -1.223 918 HA HIS 116 HA HIS 116 7.576 -6.498 1.466 919 1HB HIS 116 1HB HIS 116 6.312 -8.572 1.647 920 2HB HIS 116 2HB HIS 116 7.453 -9.376 0.532 921 HD1 HIS 116 HD1 HIS 116 9.398 -10.576 1.512 922 HD2 HIS 116 HD2 HIS 116 7.775 -7.722 4.164 923 HE1 HIS 116 HE1 HIS 116 10.656 -10.805 3.724 924 HE2 HIS 116 HE2 HIS 116 9.659 -9.102 5.284 925 H LEU 117 H LEU 117 8.998 -5.280 -0.076 926 HA LEU 117 HA LEU 117 11.192 -6.524 -1.478 927 1HB LEU 117 1HB LEU 117 10.317 -4.369 -1.932 928 2HB LEU 117 2HB LEU 117 10.621 -3.767 -0.385 929 HG LEU 117 HG LEU 117 12.879 -4.771 -2.161 930 1HD1 LEU 117 1HD1 LEU 117 11.946 -3.300 -3.686 931 2HD1 LEU 117 2HD1 LEU 117 12.898 -2.098 -2.803 932 3HD1 LEU 117 3HD1 LEU 117 11.177 -2.257 -2.453 933 1HD2 LEU 117 1HD2 LEU 117 13.833 -2.482 -0.899 934 2HD2 LEU 117 2HD2 LEU 117 13.947 -4.114 -0.189 935 3HD2 LEU 117 3HD2 LEU 117 12.676 -3.001 0.335 936 H GLU 118 H GLU 118 12.902 -7.498 -0.567 937 HA GLU 118 HA GLU 118 13.700 -6.598 2.193 938 1HB GLU 118 1HB GLU 118 12.645 -8.732 2.455 939 2HB GLU 118 2HB GLU 118 13.472 -9.352 0.993 940 1HG GLU 118 1HG GLU 118 15.670 -9.196 2.287 941 2HG GLU 118 2HG GLU 118 14.758 -8.558 3.654 942 H MET 119 H MET 119 15.290 -5.334 1.535 943 HA MET 119 HA MET 119 17.269 -6.318 -0.422 944 1HB MET 119 1HB MET 119 18.263 -4.015 -0.091 945 2HB MET 119 2HB MET 119 16.705 -4.108 -0.913 946 1HG MET 119 1HG MET 119 15.518 -3.129 0.887 947 2HG MET 119 2HG MET 119 16.755 -3.668 2.073 948 1HE MET 119 1HE MET 119 17.641 -0.221 -0.843 949 2HE MET 119 2HE MET 119 16.111 -1.164 -0.893 950 3HE MET 119 3HE MET 119 17.634 -1.981 -1.293 951 H ARG 120 H ARG 120 19.332 -6.892 0.122 952 HA ARG 120 HA ARG 120 20.111 -6.639 3.015 953 1HB ARG 120 1HB ARG 120 21.675 -8.679 1.772 954 2HB ARG 120 2HB ARG 120 20.495 -8.810 3.071 955 1HG ARG 120 1HG ARG 120 18.670 -9.001 1.360 956 2HG ARG 120 2HG ARG 120 19.910 -8.903 0.091 957 1HD ARG 120 1HD ARG 120 20.271 -10.899 2.320 958 2HD ARG 120 2HD ARG 120 19.042 -11.282 1.089 959 HE ARG 120 HE ARG 120 21.559 -10.556 -0.145 960 1HH1 ARG 120 1HH1 ARG 120 19.796 -13.199 1.383 961 2HH1 ARG 120 2HH1 ARG 120 20.700 -14.434 0.578 962 1HH2 ARG 120 1HH2 ARG 120 22.674 -12.092 -1.190 963 2HH2 ARG 120 2HH2 ARG 120 22.406 -13.796 -0.976 964 H ALA 121 H ALA 121 22.552 -6.756 3.366 965 HA ALA 121 HA ALA 121 24.463 -6.050 1.405 966 1HB ALA 121 1HB ALA 121 23.171 -3.907 1.215 967 2HB ALA 121 2HB ALA 121 24.769 -3.618 1.924 968 3HB ALA 121 3HB ALA 121 23.311 -3.669 2.997 969 H GLU 122 H GLU 122 26.146 -6.922 2.269 970 HA GLU 122 HA GLU 122 27.817 -7.403 3.816 971 1HB GLU 122 1HB GLU 122 26.812 -4.893 4.568 972 2HB GLU 122 2HB GLU 122 26.760 -5.850 6.017 973 1HG GLU 122 1HG GLU 122 29.188 -5.048 4.374 974 2HG GLU 122 2HG GLU 122 28.969 -4.961 6.138 975 H GLY 123 H GLY 123 25.188 -8.856 3.791 976 1HA GLY 123 1HA GLY 123 24.445 -10.754 4.992 977 2HA GLY 123 2HA GLY 123 25.578 -10.411 6.249 978 H VAL 124 H VAL 124 24.059 -7.545 5.822 979 HA VAL 124 HA VAL 124 22.100 -8.029 8.046 980 HB VAL 124 HB VAL 124 22.832 -5.331 6.787 981 1HG1 VAL 124 1HG1 VAL 124 21.496 -4.344 8.341 982 2HG1 VAL 124 2HG1 VAL 124 21.824 -5.577 9.594 983 3HG1 VAL 124 3HG1 VAL 124 20.660 -5.911 8.288 984 1HG2 VAL 124 1HG2 VAL 124 24.874 -5.505 7.842 985 2HG2 VAL 124 2HG2 VAL 124 24.363 -6.905 8.839 986 3HG2 VAL 124 3HG2 VAL 124 23.978 -5.271 9.368 987 H THR 125 H THR 125 20.012 -8.303 7.520 988 HA THR 125 HA THR 125 19.136 -7.545 4.745 989 HB THR 125 HB THR 125 17.811 -9.327 6.755 990 HG1 THR 125 HG1 THR 125 19.106 -10.598 4.820 991 1HG2 THR 125 1HG2 THR 125 16.911 -10.338 4.532 992 2HG2 THR 125 2HG2 THR 125 17.542 -8.932 3.650 993 3HG2 THR 125 3HG2 THR 125 16.300 -8.680 4.880 994 H CYS 126 H CYS 126 18.130 -5.732 4.621 995 HA CYS 126 HA CYS 126 16.390 -4.555 6.756 996 1HB CYS 126 1HB CYS 126 18.063 -2.961 5.954 997 2HB CYS 126 2HB CYS 126 17.868 -3.470 4.249 998 HG CYS 126 HG CYS 126 15.172 -2.471 5.678 999 H LYS 127 H LYS 127 14.252 -4.599 6.501 1000 HA LYS 127 HA LYS 127 13.237 -5.024 3.674 1001 1HB LYS 127 1HB LYS 127 11.660 -6.390 5.765 1002 2HB LYS 127 2HB LYS 127 12.128 -6.920 4.174 1003 1HG LYS 127 1HG LYS 127 13.414 -8.422 5.257 1004 2HG LYS 127 2HG LYS 127 14.567 -7.095 5.421 1005 1HD LYS 127 1HD LYS 127 14.367 -7.142 7.642 1006 2HD LYS 127 2HD LYS 127 12.590 -6.908 7.512 1007 1HE LYS 127 1HE LYS 127 12.451 -9.012 8.331 1008 2HE LYS 127 2HE LYS 127 13.014 -9.630 6.755 1009 1HZ LYS 127 1HZ LYS 127 14.860 -8.843 8.892 1010 2HZ LYS 127 2HZ LYS 127 15.217 -9.716 7.489 1011 3HZ LYS 127 3HZ LYS 127 14.281 -10.439 8.661 1012 H GLN 128 H GLN 128 11.145 -4.325 3.274 1013 HA GLN 128 HA GLN 128 10.043 -2.392 5.304 1014 1HB GLN 128 1HB GLN 128 9.587 -1.390 2.651 1015 2HB GLN 128 2HB GLN 128 10.460 -0.640 3.991 1016 1HG GLN 128 1HG GLN 128 12.455 -1.995 3.319 1017 2HG GLN 128 2HG GLN 128 11.549 -2.509 1.880 1018 1HE2 GLN 128 1HE2 GLN 128 10.743 -0.836 0.418 1019 2HE2 GLN 128 2HE2 GLN 128 11.720 0.612 0.196 1020 H VAL 129 H VAL 129 7.961 -2.396 5.515 1021 HA VAL 129 HA VAL 129 6.310 -4.252 3.893 1022 HB VAL 129 HB VAL 129 4.840 -2.585 5.815 1023 1HG1 VAL 129 1HG1 VAL 129 3.762 -4.662 6.337 1024 2HG1 VAL 129 2HG1 VAL 129 5.136 -5.605 5.698 1025 3HG1 VAL 129 3HG1 VAL 129 4.096 -4.689 4.615 1026 1HG2 VAL 129 1HG2 VAL 129 6.843 -2.725 7.243 1027 2HG2 VAL 129 2HG2 VAL 129 7.174 -4.406 6.703 1028 3HG2 VAL 129 3HG2 VAL 129 5.800 -4.031 7.796 1029 H PHE 130 H PHE 130 5.889 -3.404 1.967 1030 HA PHE 130 HA PHE 130 5.102 -0.527 1.616 1031 1HB PHE 130 1HB PHE 130 6.149 -2.747 -0.051 1032 2HB PHE 130 2HB PHE 130 4.839 -1.854 -0.827 1033 HD1 PHE 130 HD1 PHE 130 8.255 -2.165 -0.756 1034 HD2 PHE 130 HD2 PHE 130 5.278 0.899 -0.371 1035 HE1 PHE 130 HE1 PHE 130 9.921 -0.525 -1.470 1036 HE2 PHE 130 HE2 PHE 130 6.975 2.602 -1.103 1037 HZ PHE 130 HZ PHE 130 9.296 1.914 -1.659 1038 H LYS 131 H LYS 131 3.202 -0.050 0.220 1039 HA LYS 131 HA LYS 131 1.100 -2.136 0.634 1040 1HB LYS 131 1HB LYS 131 0.981 -0.384 2.370 1041 2HB LYS 131 2HB LYS 131 0.826 0.854 1.158 1042 1HG LYS 131 1HG LYS 131 -1.399 0.380 1.911 1043 2HG LYS 131 2HG LYS 131 -1.303 -0.383 0.331 1044 1HD LYS 131 1HD LYS 131 -0.595 -2.554 1.589 1045 2HD LYS 131 2HD LYS 131 -1.045 -1.658 3.074 1046 1HE LYS 131 1HE LYS 131 -3.132 -2.521 2.733 1047 2HE LYS 131 2HE LYS 131 -3.286 -1.199 1.549 1048 1HZ LYS 131 1HZ LYS 131 -3.746 -2.863 0.167 1049 2HZ LYS 131 2HZ LYS 131 -2.961 -4.040 1.067 1050 3HZ LYS 131 3HZ LYS 131 -2.087 -2.992 0.028 1051 H LYS 132 H LYS 132 -0.165 -2.430 -1.111 1052 HA LYS 132 HA LYS 132 0.465 -0.960 -3.629 1053 1HB LYS 132 1HB LYS 132 0.053 -3.556 -3.215 1054 2HB LYS 132 2HB LYS 132 -1.649 -3.094 -3.238 1055 1HG LYS 132 1HG LYS 132 -1.162 -3.728 -5.444 1056 2HG LYS 132 2HG LYS 132 -1.250 -1.914 -5.456 1057 1HD LYS 132 1HD LYS 132 1.247 -1.858 -5.189 1058 2HD LYS 132 2HD LYS 132 1.304 -3.586 -5.469 1059 1HE LYS 132 1HE LYS 132 0.273 -1.439 -7.404 1060 2HE LYS 132 2HE LYS 132 1.613 -2.578 -7.675 1061 1HZ LYS 132 1HZ LYS 132 -0.226 -4.346 -7.366 1062 2HZ LYS 132 2HZ LYS 132 -0.131 -3.462 -8.832 1063 3HZ LYS 132 3HZ LYS 132 -1.258 -3.075 -7.647 1064 H VAL 133 H VAL 133 -0.722 0.556 -4.448 1065 HA VAL 133 HA VAL 133 -3.443 1.033 -3.207 1066 HB VAL 133 HB VAL 133 -1.837 3.117 -4.612 1067 1HG1 VAL 133 1HG1 VAL 133 -3.521 4.597 -4.025 1068 2HG1 VAL 133 2HG1 VAL 133 -4.154 3.608 -2.718 1069 3HG1 VAL 133 3HG1 VAL 133 -4.432 3.129 -4.428 1070 1HG2 VAL 133 1HG2 VAL 133 -2.316 3.391 -1.676 1071 2HG2 VAL 133 2HG2 VAL 133 -0.916 3.838 -2.616 1072 3HG2 VAL 133 3HG2 VAL 133 -1.122 2.125 -2.109 1073 H HIS 134 H HIS 134 -1.568 1.185 -6.210 1074 HA HIS 134 HA HIS 134 -2.228 0.830 -8.432 1075 1HB HIS 134 1HB HIS 134 -2.959 -1.193 -7.105 1076 2HB HIS 134 2HB HIS 134 -4.616 -0.591 -7.305 1077 HD1 HIS 134 HD1 HIS 134 -4.508 0.419 -10.204 1078 HD2 HIS 134 HD2 HIS 134 -2.676 -3.181 -8.944 1079 HE1 HIS 134 HE1 HIS 134 -4.248 -0.973 -12.289 1080 HE2 HIS 134 HE2 HIS 134 -3.131 -3.190 -11.478 Start of MODEL 3 1 1H PRO 1 1H PRO 1 -2.376 -5.866 -16.014 2 2H PRO 1 2H PRO 1 -3.906 -5.600 -16.531 3 HA PRO 1 HA PRO 1 -4.483 -5.458 -14.368 4 1HB PRO 1 1HB PRO 1 -4.251 -8.217 -13.695 5 2HB PRO 1 2HB PRO 1 -5.713 -7.311 -14.323 6 1HG PRO 1 1HG PRO 1 -4.238 -9.311 -15.724 7 2HG PRO 1 2HG PRO 1 -5.533 -8.318 -16.290 8 1HD PRO 1 1HD PRO 1 -2.661 -8.013 -16.959 9 2HD PRO 1 2HD PRO 1 -4.049 -7.253 -17.750 10 H VAL 2 H VAL 2 -2.211 -8.111 -14.266 11 HA VAL 2 HA VAL 2 -0.930 -6.911 -11.791 12 HB VAL 2 HB VAL 2 -0.029 -9.206 -11.462 13 1HG1 VAL 2 1HG1 VAL 2 -1.773 -9.232 -10.014 14 2HG1 VAL 2 2HG1 VAL 2 -2.837 -9.903 -11.270 15 3HG1 VAL 2 3HG1 VAL 2 -2.686 -8.150 -11.084 16 1HG2 VAL 2 1HG2 VAL 2 -0.960 -9.688 -14.114 17 2HG2 VAL 2 2HG2 VAL 2 -2.081 -10.587 -13.126 18 3HG2 VAL 2 3HG2 VAL 2 -0.326 -10.886 -13.007 19 H ASP 3 H ASP 3 0.180 -5.459 -13.619 20 HA ASP 3 HA ASP 3 2.725 -6.904 -14.349 21 1HB ASP 3 1HB ASP 3 0.803 -5.559 -16.094 22 2HB ASP 3 2HB ASP 3 2.474 -4.955 -16.263 23 H PHE 4 H PHE 4 2.537 -5.742 -12.036 24 HA PHE 4 HA PHE 4 3.597 -4.408 -10.584 25 1HB PHE 4 1HB PHE 4 5.175 -3.851 -13.032 26 2HB PHE 4 2HB PHE 4 5.250 -2.689 -11.684 27 HD1 PHE 4 HD1 PHE 4 6.117 -3.507 -9.407 28 HD2 PHE 4 HD2 PHE 4 5.966 -6.066 -12.848 29 HE1 PHE 4 HE1 PHE 4 7.560 -5.106 -8.302 30 HE2 PHE 4 HE2 PHE 4 7.462 -7.692 -11.664 31 HZ PHE 4 HZ PHE 4 8.263 -7.231 -9.413 32 H ASN 5 H ASN 5 2.693 -2.428 -13.499 33 HA ASN 5 HA ASN 5 2.752 0.141 -12.727 34 1HB ASN 5 1HB ASN 5 1.820 -0.791 -14.801 35 2HB ASN 5 2HB ASN 5 0.298 -1.016 -13.959 36 1HD2 ASN 5 1HD2 ASN 5 -0.236 0.764 -15.873 37 2HD2 ASN 5 2HD2 ASN 5 -0.079 2.390 -15.336 38 H GLY 6 H GLY 6 2.300 0.926 -10.651 39 1HA GLY 6 1HA GLY 6 -0.518 1.023 -9.843 40 2HA GLY 6 2HA GLY 6 0.393 0.079 -8.793 41 H TYR 7 H TYR 7 0.803 0.980 -7.009 42 HA TYR 7 HA TYR 7 2.384 3.386 -6.698 43 1HB TYR 7 1HB TYR 7 -0.245 4.111 -7.044 44 2HB TYR 7 2HB TYR 7 -0.383 3.454 -5.413 45 HD1 TYR 7 HD1 TYR 7 2.719 4.541 -5.046 46 HD2 TYR 7 HD2 TYR 7 -1.079 6.221 -5.949 47 HE1 TYR 7 HE1 TYR 7 3.477 6.679 -4.122 48 HE2 TYR 7 HE2 TYR 7 -0.365 8.427 -5.018 49 HH TYR 7 HH TYR 7 1.772 8.882 -3.053 50 H TRP 8 H TRP 8 3.597 2.723 -4.957 51 HA TRP 8 HA TRP 8 2.465 0.597 -3.183 52 1HB TRP 8 1HB TRP 8 5.336 1.427 -3.683 53 2HB TRP 8 2HB TRP 8 4.753 0.252 -2.499 54 HD1 TRP 8 HD1 TRP 8 2.547 -0.288 -5.469 55 HE1 TRP 8 HE1 TRP 8 3.468 -2.095 -7.011 56 HE3 TRP 8 HE3 TRP 8 7.338 -0.624 -3.627 57 HZ2 TRP 8 HZ2 TRP 8 5.900 -3.524 -7.465 58 HZ3 TRP 8 HZ3 TRP 8 8.918 -2.221 -4.667 59 HH2 TRP 8 HH2 TRP 8 8.152 -3.654 -6.583 60 H LYS 9 H LYS 9 1.548 1.672 -1.386 61 HA LYS 9 HA LYS 9 2.922 4.132 -0.298 62 1HB LYS 9 1HB LYS 9 0.984 4.145 1.256 63 2HB LYS 9 2HB LYS 9 0.679 4.509 -0.451 64 1HG LYS 9 1HG LYS 9 -0.316 2.327 -0.862 65 2HG LYS 9 2HG LYS 9 0.127 1.793 0.797 66 1HD LYS 9 1HD LYS 9 -1.227 3.839 1.598 67 2HD LYS 9 2HD LYS 9 -1.834 3.962 -0.050 68 1HE LYS 9 1HE LYS 9 -2.994 1.836 0.087 69 2HE LYS 9 2HE LYS 9 -2.099 1.306 1.527 70 1HZ LYS 9 1HZ LYS 9 -4.167 1.943 2.339 71 2HZ LYS 9 2HZ LYS 9 -4.219 3.340 1.422 72 3HZ LYS 9 3HZ LYS 9 -3.184 3.275 2.722 73 H MET 10 H MET 10 4.707 3.416 1.051 74 HA MET 10 HA MET 10 5.049 0.947 2.172 75 1HB MET 10 1HB MET 10 6.794 1.687 3.062 76 2HB MET 10 2HB MET 10 6.451 3.106 2.086 77 1HG MET 10 1HG MET 10 5.758 2.826 5.079 78 2HG MET 10 2HG MET 10 7.093 3.732 4.417 79 1HE MET 10 1HE MET 10 4.494 5.980 6.091 80 2HE MET 10 2HE MET 10 4.753 4.209 6.241 81 3HE MET 10 3HE MET 10 3.227 4.885 5.549 82 H LEU 11 H LEU 11 5.182 0.381 4.378 83 HA LEU 11 HA LEU 11 2.909 1.326 6.122 84 1HB LEU 11 1HB LEU 11 2.950 -1.089 4.884 85 2HB LEU 11 2HB LEU 11 3.968 -1.503 6.183 86 HG LEU 11 HG LEU 11 1.194 -0.342 6.580 87 1HD1 LEU 11 1HD1 LEU 11 1.751 -3.362 6.383 88 2HD1 LEU 11 2HD1 LEU 11 1.248 -2.363 4.996 89 3HD1 LEU 11 3HD1 LEU 11 0.194 -2.557 6.382 90 1HD2 LEU 11 1HD2 LEU 11 3.236 -1.133 8.426 91 2HD2 LEU 11 2HD2 LEU 11 2.059 -2.445 8.468 92 3HD2 LEU 11 3HD2 LEU 11 1.528 -0.799 8.833 93 H SER 12 H SER 12 5.821 -0.820 6.170 94 HA SER 12 HA SER 12 7.077 0.844 8.321 95 1HB SER 12 1HB SER 12 7.595 -1.006 9.652 96 2HB SER 12 2HB SER 12 5.868 -0.640 9.634 97 HG SER 12 HG SER 12 5.542 -2.393 8.336 98 H ASN 13 H ASN 13 9.243 0.496 8.631 99 HA ASN 13 HA ASN 13 10.726 -1.018 6.518 100 1HB ASN 13 1HB ASN 13 12.447 0.935 7.122 101 2HB ASN 13 2HB ASN 13 11.274 1.129 5.818 102 1HD2 ASN 13 1HD2 ASN 13 11.882 1.680 9.319 103 2HD2 ASN 13 2HD2 ASN 13 10.928 3.107 9.497 104 H GLU 14 H GLU 14 12.782 -1.732 7.317 105 HA GLU 14 HA GLU 14 13.099 -1.560 10.283 106 1HB GLU 14 1HB GLU 14 13.676 -4.035 10.223 107 2HB GLU 14 2HB GLU 14 12.020 -3.450 10.452 108 1HG GLU 14 1HG GLU 14 12.785 -3.800 7.602 109 2HG GLU 14 2HG GLU 14 12.746 -5.306 8.516 110 H ASN 15 H ASN 15 15.141 -1.886 11.122 111 HA ASN 15 HA ASN 15 17.454 -1.984 11.235 112 1HB ASN 15 1HB ASN 15 16.903 -3.836 9.001 113 2HB ASN 15 2HB ASN 15 18.544 -3.510 9.648 114 1HD2 ASN 15 1HD2 ASN 15 19.132 -4.137 11.712 115 2HD2 ASN 15 2HD2 ASN 15 18.256 -5.310 12.647 116 H PHE 16 H PHE 16 16.050 -0.091 9.040 117 HA PHE 16 HA PHE 16 17.775 0.326 6.855 118 1HB PHE 16 1HB PHE 16 15.435 1.103 7.343 119 2HB PHE 16 2HB PHE 16 16.127 2.455 8.252 120 HD1 PHE 16 HD1 PHE 16 15.665 4.393 6.865 121 HD2 PHE 16 HD2 PHE 16 17.426 0.897 5.063 122 HE1 PHE 16 HE1 PHE 16 16.041 5.613 4.717 123 HE2 PHE 16 HE2 PHE 16 17.769 2.117 2.987 124 HZ PHE 16 HZ PHE 16 17.075 4.499 2.793 125 H GLU 17 H GLU 17 18.015 1.772 10.141 126 HA GLU 17 HA GLU 17 19.994 3.724 9.322 127 1HB GLU 17 1HB GLU 17 18.871 4.359 11.124 128 2HB GLU 17 2HB GLU 17 18.986 2.798 11.977 129 1HG GLU 17 1HG GLU 17 21.560 4.235 11.379 130 2HG GLU 17 2HG GLU 17 20.560 4.893 12.644 131 H GLU 18 H GLU 18 20.065 0.404 10.727 132 HA GLU 18 HA GLU 18 22.893 0.452 11.275 133 1HB GLU 18 1HB GLU 18 21.295 -1.039 12.416 134 2HB GLU 18 2HB GLU 18 21.088 -1.972 10.931 135 1HG GLU 18 1HG GLU 18 23.622 -2.401 10.941 136 2HG GLU 18 2HG GLU 18 23.693 -1.672 12.531 137 H TYR 19 H TYR 19 20.768 -0.195 8.608 138 HA TYR 19 HA TYR 19 22.491 -1.733 6.926 139 1HB TYR 19 1HB TYR 19 20.243 -1.908 6.276 140 2HB TYR 19 2HB TYR 19 19.932 -0.199 6.529 141 HD1 TYR 19 HD1 TYR 19 22.065 -2.435 4.278 142 HD2 TYR 19 HD2 TYR 19 19.683 1.106 4.662 143 HE1 TYR 19 HE1 TYR 19 22.316 -2.001 1.822 144 HE2 TYR 19 HE2 TYR 19 19.924 1.556 2.219 145 HH TYR 19 HH TYR 19 21.521 -0.717 0.116 146 H LEU 20 H LEU 20 21.931 1.805 7.237 147 HA LEU 20 HA LEU 20 23.685 2.487 4.968 148 1HB LEU 20 1HB LEU 20 23.030 4.328 7.233 149 2HB LEU 20 2HB LEU 20 23.633 4.735 5.691 150 HG LEU 20 HG LEU 20 20.816 3.839 6.443 151 1HD1 LEU 20 1HD1 LEU 20 22.138 6.393 5.636 152 2HD1 LEU 20 2HD1 LEU 20 20.787 6.080 6.707 153 3HD1 LEU 20 3HD1 LEU 20 20.509 6.081 4.972 154 1HD2 LEU 20 1HD2 LEU 20 21.616 2.663 4.246 155 2HD2 LEU 20 2HD2 LEU 20 21.781 4.258 3.527 156 3HD2 LEU 20 3HD2 LEU 20 20.183 3.685 4.009 157 H ARG 21 H ARG 21 24.103 1.806 8.404 158 HA ARG 21 HA ARG 21 26.628 3.097 8.802 159 1HB ARG 21 1HB ARG 21 25.268 2.557 10.666 160 2HB ARG 21 2HB ARG 21 25.003 0.886 10.185 161 1HG ARG 21 1HG ARG 21 27.542 0.504 10.621 162 2HG ARG 21 2HG ARG 21 27.597 2.140 11.290 163 1HD ARG 21 1HD ARG 21 25.790 1.452 12.892 164 2HD ARG 21 2HD ARG 21 25.934 -0.219 12.351 165 HE ARG 21 HE ARG 21 28.503 0.670 13.009 166 1HH1 ARG 21 1HH1 ARG 21 25.498 -0.029 14.679 167 2HH1 ARG 21 2HH1 ARG 21 26.234 -0.437 16.195 168 1HH2 ARG 21 1HH2 ARG 21 29.536 0.118 14.985 169 2HH2 ARG 21 2HH2 ARG 21 28.553 -0.344 16.334 170 H ALA 22 H ALA 22 25.650 0.053 7.411 171 HA ALA 22 HA ALA 22 28.129 -1.370 7.633 172 1HB ALA 22 1HB ALA 22 25.632 -1.687 6.004 173 2HB ALA 22 2HB ALA 22 26.344 -2.814 7.193 174 3HB ALA 22 3HB ALA 22 27.102 -2.637 5.597 175 H LEU 23 H LEU 23 26.603 0.655 5.134 176 HA LEU 23 HA LEU 23 28.777 0.329 3.218 177 1HB LEU 23 1HB LEU 23 26.626 2.447 3.325 178 2HB LEU 23 2HB LEU 23 27.664 2.209 2.007 179 HG LEU 23 HG LEU 23 25.696 0.119 3.062 180 1HD1 LEU 23 1HD1 LEU 23 25.296 1.964 0.626 181 2HD1 LEU 23 2HD1 LEU 23 24.754 2.355 2.293 182 3HD1 LEU 23 3HD1 LEU 23 24.119 0.947 1.438 183 1HD2 LEU 23 1HD2 LEU 23 27.402 -1.030 1.668 184 2HD2 LEU 23 2HD2 LEU 23 27.451 0.334 0.534 185 3HD2 LEU 23 3HD2 LEU 23 26.037 -0.762 0.589 186 H ASP 24 H ASP 24 28.255 2.130 6.025 187 HA ASP 24 HA ASP 24 29.264 4.002 7.066 188 1HB ASP 24 1HB ASP 24 31.535 2.566 5.795 189 2HB ASP 24 2HB ASP 24 31.774 4.072 6.749 190 H VAL 25 H VAL 25 27.901 4.673 4.631 191 HA VAL 25 HA VAL 25 29.398 6.181 2.822 192 HB VAL 25 HB VAL 25 26.576 5.961 3.727 193 1HG1 VAL 25 1HG1 VAL 25 27.749 8.492 2.500 194 2HG1 VAL 25 2HG1 VAL 25 26.617 8.400 3.878 195 3HG1 VAL 25 3HG1 VAL 25 26.023 8.104 2.261 196 1HG2 VAL 25 1HG2 VAL 25 26.325 5.426 1.367 197 2HG2 VAL 25 2HG2 VAL 25 28.059 5.080 1.586 198 3HG2 VAL 25 3HG2 VAL 25 27.498 6.631 0.882 199 H ASN 26 H ASN 26 27.418 7.305 5.658 200 HA ASN 26 HA ASN 26 29.551 9.089 6.636 201 1HB ASN 26 1HB ASN 26 28.719 10.128 4.604 202 2HB ASN 26 2HB ASN 26 27.262 10.602 5.553 203 1HD2 ASN 26 1HD2 ASN 26 30.329 11.671 4.542 204 2HD2 ASN 26 2HD2 ASN 26 30.650 12.765 5.851 205 H VAL 27 H VAL 27 28.869 10.264 8.536 206 HA VAL 27 HA VAL 27 26.937 8.839 10.186 207 HB VAL 27 HB VAL 27 28.249 11.381 11.113 208 1HG1 VAL 27 1HG1 VAL 27 26.360 9.701 12.252 209 2HG1 VAL 27 2HG1 VAL 27 27.494 10.689 13.158 210 3HG1 VAL 27 3HG1 VAL 27 27.828 8.973 12.845 211 1HG2 VAL 27 1HG2 VAL 27 30.298 10.356 11.510 212 2HG2 VAL 27 2HG2 VAL 27 29.907 9.438 10.050 213 3HG2 VAL 27 3HG2 VAL 27 29.568 8.735 11.633 214 H ALA 28 H ALA 28 27.053 11.935 8.540 215 HA ALA 28 HA ALA 28 24.817 13.126 9.905 216 1HB ALA 28 1HB ALA 28 25.184 14.952 8.533 217 2HB ALA 28 2HB ALA 28 25.868 14.005 7.198 218 3HB ALA 28 3HB ALA 28 26.800 14.166 8.711 219 H LEU 29 H LEU 29 25.249 11.150 6.953 220 HA LEU 29 HA LEU 29 22.610 11.666 5.844 221 1HB LEU 29 1HB LEU 29 24.715 11.039 4.642 222 2HB LEU 29 2HB LEU 29 24.427 9.378 5.173 223 HG LEU 29 HG LEU 29 22.011 9.762 4.219 224 1HD1 LEU 29 1HD1 LEU 29 22.832 11.318 1.955 225 2HD1 LEU 29 2HD1 LEU 29 23.245 12.212 3.424 226 3HD1 LEU 29 3HD1 LEU 29 21.558 11.680 3.124 227 1HD2 LEU 29 1HD2 LEU 29 23.837 9.475 1.880 228 2HD2 LEU 29 2HD2 LEU 29 22.596 8.410 2.488 229 3HD2 LEU 29 3HD2 LEU 29 24.182 8.412 3.286 230 H ARG 30 H ARG 30 23.917 9.405 8.233 231 HA ARG 30 HA ARG 30 21.966 7.312 7.812 232 1HB ARG 30 1HB ARG 30 24.138 7.042 8.817 233 2HB ARG 30 2HB ARG 30 23.685 8.113 10.165 234 1HG ARG 30 1HG ARG 30 21.706 6.262 10.459 235 2HG ARG 30 2HG ARG 30 22.832 5.220 9.645 236 1HD ARG 30 1HD ARG 30 23.183 6.731 12.285 237 2HD ARG 30 2HD ARG 30 23.322 5.031 12.017 238 HE ARG 30 HE ARG 30 25.264 5.960 10.375 239 1HH1 ARG 30 1HH1 ARG 30 24.556 6.637 13.733 240 2HH1 ARG 30 2HH1 ARG 30 26.210 6.970 14.207 241 1HH2 ARG 30 1HH2 ARG 30 27.532 6.403 10.977 242 2HH2 ARG 30 2HH2 ARG 30 27.836 6.816 12.615 243 H LYS 31 H LYS 31 22.224 10.252 9.723 244 HA LYS 31 HA LYS 31 20.004 9.828 11.550 245 1HB LYS 31 1HB LYS 31 21.870 11.115 12.129 246 2HB LYS 31 2HB LYS 31 21.660 12.176 10.706 247 1HG LYS 31 1HG LYS 31 19.718 13.239 11.711 248 2HG LYS 31 2HG LYS 31 19.371 11.848 12.755 249 1HD LYS 31 1HD LYS 31 21.155 12.258 14.199 250 2HD LYS 31 2HD LYS 31 21.923 13.444 13.097 251 1HE LYS 31 1HE LYS 31 20.814 15.064 14.220 252 2HE LYS 31 2HE LYS 31 19.313 14.463 13.432 253 1HZ LYS 31 1HZ LYS 31 20.408 14.049 16.107 254 2HZ LYS 31 2HZ LYS 31 19.407 12.818 15.501 255 3HZ LYS 31 3HZ LYS 31 18.798 14.362 15.663 256 H ILE 32 H ILE 32 20.685 11.551 8.542 257 HA ILE 32 HA ILE 32 18.151 12.874 8.293 258 HB ILE 32 HB ILE 32 20.542 12.441 6.437 259 1HG1 ILE 32 1HG1 ILE 32 20.538 14.077 8.356 260 2HG1 ILE 32 2HG1 ILE 32 20.912 14.825 6.804 261 1HG2 ILE 32 1HG2 ILE 32 18.799 12.361 4.827 262 2HG2 ILE 32 2HG2 ILE 32 19.168 14.073 4.912 263 3HG2 ILE 32 3HG2 ILE 32 17.732 13.429 5.755 264 1HD1 ILE 32 1HD1 ILE 32 18.506 15.577 6.634 265 2HD1 ILE 32 2HD1 ILE 32 19.376 16.265 7.980 266 3HD1 ILE 32 3HD1 ILE 32 18.212 14.950 8.271 267 H ALA 33 H ALA 33 19.694 10.036 6.734 268 HA ALA 33 HA ALA 33 17.598 9.341 4.879 269 1HB ALA 33 1HB ALA 33 19.752 7.648 6.134 270 2HB ALA 33 2HB ALA 33 19.808 8.548 4.557 271 3HB ALA 33 3HB ALA 33 18.713 7.189 4.788 272 H ASN 34 H ASN 34 17.862 8.671 8.424 273 HA ASN 34 HA ASN 34 16.235 6.312 8.297 274 1HB ASN 34 1HB ASN 34 17.784 7.007 10.140 275 2HB ASN 34 2HB ASN 34 16.400 8.017 10.738 276 1HD2 ASN 34 1HD2 ASN 34 14.285 6.885 11.214 277 2HD2 ASN 34 2HD2 ASN 34 14.376 5.219 11.739 278 H LEU 35 H LEU 35 15.496 9.704 9.099 279 HA LEU 35 HA LEU 35 12.785 9.339 9.854 280 1HB LEU 35 1HB LEU 35 12.364 11.627 9.392 281 2HB LEU 35 2HB LEU 35 13.709 11.283 10.526 282 HG LEU 35 HG LEU 35 14.874 11.466 7.960 283 1HD1 LEU 35 1HD1 LEU 35 12.869 12.495 7.065 284 2HD1 LEU 35 2HD1 LEU 35 14.122 13.738 7.185 285 3HD1 LEU 35 3HD1 LEU 35 12.814 13.682 8.385 286 1HD2 LEU 35 1HD2 LEU 35 14.652 13.310 10.421 287 2HD2 LEU 35 2HD2 LEU 35 15.573 13.868 8.981 288 3HD2 LEU 35 3HD2 LEU 35 16.090 12.400 9.832 289 H LEU 36 H LEU 36 14.224 9.284 6.682 290 HA LEU 36 HA LEU 36 11.905 10.009 5.170 291 1HB LEU 36 1HB LEU 36 14.538 8.606 4.631 292 2HB LEU 36 2HB LEU 36 13.312 8.400 3.507 293 HG LEU 36 HG LEU 36 15.146 10.264 3.145 294 1HD1 LEU 36 1HD1 LEU 36 13.388 10.206 1.489 295 2HD1 LEU 36 2HD1 LEU 36 13.111 11.809 2.213 296 3HD1 LEU 36 3HD1 LEU 36 12.149 10.386 2.716 297 1HD2 LEU 36 1HD2 LEU 36 13.153 11.917 4.738 298 2HD2 LEU 36 2HD2 LEU 36 14.748 12.412 4.222 299 3HD2 LEU 36 3HD2 LEU 36 14.602 11.206 5.520 300 H LYS 37 H LYS 37 10.768 8.665 3.741 301 HA LYS 37 HA LYS 37 10.410 5.757 4.268 302 1HB LYS 37 1HB LYS 37 8.231 7.931 4.497 303 2HB LYS 37 2HB LYS 37 7.924 6.194 4.280 304 1HG LYS 37 1HG LYS 37 9.460 5.909 6.430 305 2HG LYS 37 2HG LYS 37 9.087 7.640 6.696 306 1HD LYS 37 1HD LYS 37 7.019 7.152 7.534 307 2HD LYS 37 2HD LYS 37 6.644 6.267 6.056 308 1HE LYS 37 1HE LYS 37 6.407 4.560 7.699 309 2HE LYS 37 2HE LYS 37 8.157 4.385 7.264 310 1HZ LYS 37 1HZ LYS 37 8.147 4.365 9.496 311 2HZ LYS 37 2HZ LYS 37 7.015 5.605 9.715 312 3HZ LYS 37 3HZ LYS 37 8.550 5.984 9.191 313 HA PRO 38 HA PRO 38 10.249 7.010 -0.036 314 1HB PRO 38 1HB PRO 38 11.363 4.663 -1.050 315 2HB PRO 38 2HB PRO 38 12.241 6.020 -0.332 316 1HG PRO 38 1HG PRO 38 11.863 3.286 0.753 317 2HG PRO 38 2HG PRO 38 13.076 4.521 1.187 318 1HD PRO 38 1HD PRO 38 10.533 3.895 2.455 319 2HD PRO 38 2HD PRO 38 11.813 4.988 3.028 320 H ASP 39 H ASP 39 8.144 7.055 -0.548 321 HA ASP 39 HA ASP 39 6.504 4.599 -0.977 322 1HB ASP 39 1HB ASP 39 5.761 7.373 -1.948 323 2HB ASP 39 2HB ASP 39 4.699 6.026 -1.609 324 H LYS 40 H LYS 40 6.316 3.610 -3.044 325 HA LYS 40 HA LYS 40 7.910 4.997 -5.208 326 1HB LYS 40 1HB LYS 40 7.410 2.077 -4.695 327 2HB LYS 40 2HB LYS 40 8.334 2.783 -6.067 328 1HG LYS 40 1HG LYS 40 10.141 3.379 -4.653 329 2HG LYS 40 2HG LYS 40 9.130 3.301 -3.177 330 1HD LYS 40 1HD LYS 40 10.188 1.290 -2.939 331 2HD LYS 40 2HD LYS 40 8.973 0.705 -4.115 332 1HE LYS 40 1HE LYS 40 10.927 -0.070 -5.093 333 2HE LYS 40 2HE LYS 40 10.666 1.381 -6.015 334 1HZ LYS 40 1HZ LYS 40 12.710 0.827 -4.032 335 2HZ LYS 40 2HZ LYS 40 12.237 2.435 -4.210 336 3HZ LYS 40 3HZ LYS 40 12.843 1.598 -5.530 337 H GLU 41 H GLU 41 7.144 5.165 -7.130 338 HA GLU 41 HA GLU 41 4.375 4.122 -7.762 339 1HB GLU 41 1HB GLU 41 4.809 6.722 -7.470 340 2HB GLU 41 2HB GLU 41 5.577 6.607 -9.082 341 1HG GLU 41 1HG GLU 41 2.934 5.234 -8.803 342 2HG GLU 41 2HG GLU 41 2.834 6.985 -8.716 343 H ILE 42 H ILE 42 4.668 2.541 -9.269 344 HA ILE 42 HA ILE 42 7.101 2.642 -11.021 345 HB ILE 42 HB ILE 42 5.379 0.420 -9.877 346 1HG1 ILE 42 1HG1 ILE 42 8.420 0.729 -9.933 347 2HG1 ILE 42 2HG1 ILE 42 7.512 1.597 -8.763 348 1HG2 ILE 42 1HG2 ILE 42 5.865 -0.029 -12.389 349 2HG2 ILE 42 2HG2 ILE 42 6.571 -1.199 -11.309 350 3HG2 ILE 42 3HG2 ILE 42 7.618 0.054 -11.991 351 1HD1 ILE 42 1HD1 ILE 42 6.955 -1.381 -8.889 352 2HD1 ILE 42 2HD1 ILE 42 6.965 -0.299 -7.512 353 3HD1 ILE 42 3HD1 ILE 42 8.498 -0.820 -8.189 354 H VAL 43 H VAL 43 6.956 2.700 -13.079 355 HA VAL 43 HA VAL 43 4.317 2.242 -14.384 356 HB VAL 43 HB VAL 43 6.289 4.509 -15.029 357 1HG1 VAL 43 1HG1 VAL 43 4.210 5.031 -16.640 358 2HG1 VAL 43 2HG1 VAL 43 3.946 3.286 -16.514 359 3HG1 VAL 43 3HG1 VAL 43 5.473 3.887 -17.183 360 1HG2 VAL 43 1HG2 VAL 43 3.690 4.459 -13.485 361 2HG2 VAL 43 2HG2 VAL 43 3.715 5.671 -14.753 362 3HG2 VAL 43 3HG2 VAL 43 4.957 5.702 -13.506 363 H GLN 44 H GLN 44 4.500 0.796 -15.839 364 HA GLN 44 HA GLN 44 7.227 0.073 -16.824 365 1HB GLN 44 1HB GLN 44 5.639 -1.505 -15.453 366 2HB GLN 44 2HB GLN 44 4.833 -1.748 -17.012 367 1HG GLN 44 1HG GLN 44 7.176 -2.471 -17.916 368 2HG GLN 44 2HG GLN 44 7.742 -2.484 -16.245 369 1HE2 GLN 44 1HE2 GLN 44 5.287 -3.898 -18.403 370 2HE2 GLN 44 2HE2 GLN 44 5.080 -5.358 -17.453 371 H ASP 45 H ASP 45 7.224 -0.846 -19.124 372 HA ASP 45 HA ASP 45 5.072 0.276 -20.868 373 1HB ASP 45 1HB ASP 45 7.354 1.769 -20.379 374 2HB ASP 45 2HB ASP 45 7.893 0.714 -21.673 375 H GLY 46 H GLY 46 7.061 -0.337 -23.188 376 1HA GLY 46 1HA GLY 46 6.601 -3.234 -23.188 377 2HA GLY 46 2HA GLY 46 7.248 -2.226 -24.532 378 H ASP 47 H ASP 47 7.986 -3.941 -21.615 379 HA ASP 47 HA ASP 47 9.956 -4.735 -20.720 380 1HB ASP 47 1HB ASP 47 10.755 -4.393 -23.580 381 2HB ASP 47 2HB ASP 47 11.973 -4.781 -22.326 382 H HIS 48 H HIS 48 9.333 -1.687 -20.773 383 HA HIS 48 HA HIS 48 12.093 -0.764 -20.026 384 1HB HIS 48 1HB HIS 48 11.157 0.236 -22.120 385 2HB HIS 48 2HB HIS 48 9.845 0.966 -21.192 386 HD1 HIS 48 HD1 HIS 48 11.885 2.639 -22.793 387 HD2 HIS 48 HD2 HIS 48 12.338 1.654 -18.721 388 HE1 HIS 48 HE1 HIS 48 13.465 4.389 -21.783 389 HE2 HIS 48 HE2 HIS 48 13.726 3.771 -19.292 390 H MET 49 H MET 49 11.962 -1.027 -17.901 391 HA MET 49 HA MET 49 9.475 -0.157 -16.535 392 1HB MET 49 1HB MET 49 9.997 -2.432 -16.314 393 2HB MET 49 2HB MET 49 11.651 -2.095 -15.921 394 1HG MET 49 1HG MET 49 11.259 -1.532 -13.768 395 2HG MET 49 2HG MET 49 9.686 -0.744 -14.125 396 1HE MET 49 1HE MET 49 11.271 -4.629 -13.746 397 2HE MET 49 2HE MET 49 10.171 -4.877 -12.363 398 3HE MET 49 3HE MET 49 11.293 -3.473 -12.367 399 H ILE 50 H ILE 50 9.653 1.888 -15.926 400 HA ILE 50 HA ILE 50 12.120 3.092 -14.906 401 HB ILE 50 HB ILE 50 9.308 4.190 -15.134 402 1HG1 ILE 50 1HG1 ILE 50 10.504 5.345 -17.293 403 2HG1 ILE 50 2HG1 ILE 50 11.322 3.806 -17.333 404 1HG2 ILE 50 1HG2 ILE 50 11.447 6.201 -15.605 405 2HG2 ILE 50 2HG2 ILE 50 11.931 5.216 -14.228 406 3HG2 ILE 50 3HG2 ILE 50 10.419 6.088 -14.155 407 1HD1 ILE 50 1HD1 ILE 50 8.823 4.304 -18.399 408 2HD1 ILE 50 2HD1 ILE 50 8.395 3.455 -16.895 409 3HD1 ILE 50 3HD1 ILE 50 9.458 2.689 -18.050 410 H ILE 51 H ILE 51 12.270 3.894 -12.738 411 HA ILE 51 HA ILE 51 10.011 2.972 -10.932 412 HB ILE 51 HB ILE 51 12.935 2.235 -10.787 413 1HG1 ILE 51 1HG1 ILE 51 11.572 0.090 -9.839 414 2HG1 ILE 51 2HG1 ILE 51 10.257 0.865 -10.668 415 1HG2 ILE 51 1HG2 ILE 51 12.663 1.720 -8.382 416 2HG2 ILE 51 2HG2 ILE 51 10.992 2.294 -8.383 417 3HG2 ILE 51 3HG2 ILE 51 12.282 3.456 -8.585 418 1HD1 ILE 51 1HD1 ILE 51 11.111 0.456 -12.814 419 2HD1 ILE 51 2HD1 ILE 51 11.797 -0.914 -11.933 420 3HD1 ILE 51 3HD1 ILE 51 12.792 0.499 -12.322 421 H ARG 52 H ARG 52 9.459 4.492 -9.507 422 HA ARG 52 HA ARG 52 11.253 6.845 -9.172 423 1HB ARG 52 1HB ARG 52 8.435 6.493 -9.965 424 2HB ARG 52 2HB ARG 52 8.713 7.786 -8.800 425 1HG ARG 52 1HG ARG 52 10.046 9.050 -10.316 426 2HG ARG 52 2HG ARG 52 10.402 7.659 -11.346 427 1HD ARG 52 1HD ARG 52 8.001 7.482 -11.953 428 2HD ARG 52 2HD ARG 52 7.658 8.991 -11.114 429 HE ARG 52 HE ARG 52 8.933 8.550 -13.679 430 1HH1 ARG 52 1HH1 ARG 52 8.668 10.813 -10.962 431 2HH1 ARG 52 2HH1 ARG 52 9.087 12.190 -11.968 432 1HH2 ARG 52 1HH2 ARG 52 9.471 10.345 -14.910 433 2HH2 ARG 52 2HH2 ARG 52 9.574 11.952 -14.243 434 H THR 53 H THR 53 11.790 7.299 -7.162 435 HA THR 53 HA THR 53 10.058 6.202 -4.933 436 HB THR 53 HB THR 53 13.055 6.883 -4.873 437 HG1 THR 53 HG1 THR 53 12.494 4.253 -4.813 438 1HG2 THR 53 1HG2 THR 53 11.748 6.700 -2.623 439 2HG2 THR 53 2HG2 THR 53 12.983 5.472 -2.731 440 3HG2 THR 53 3HG2 THR 53 11.275 5.039 -3.042 441 H LEU 54 H LEU 54 8.782 7.903 -4.835 442 HA LEU 54 HA LEU 54 9.571 10.691 -5.028 443 1HB LEU 54 1HB LEU 54 6.989 9.387 -4.564 444 2HB LEU 54 2HB LEU 54 7.267 11.110 -4.509 445 HG LEU 54 HG LEU 54 8.198 9.492 -6.897 446 1HD1 LEU 54 1HD1 LEU 54 5.503 10.836 -6.547 447 2HD1 LEU 54 2HD1 LEU 54 5.804 9.079 -6.807 448 3HD1 LEU 54 3HD1 LEU 54 6.194 10.227 -8.065 449 1HD2 LEU 54 1HD2 LEU 54 7.558 12.458 -6.426 450 2HD2 LEU 54 2HD2 LEU 54 8.068 11.790 -7.980 451 3HD2 LEU 54 3HD2 LEU 54 9.190 11.809 -6.584 452 H SER 55 H SER 55 10.834 11.337 -3.351 453 HA SER 55 HA SER 55 9.574 11.548 -0.669 454 1HB SER 55 1HB SER 55 11.811 11.208 0.285 455 2HB SER 55 2HB SER 55 11.640 10.024 -0.991 456 HG SER 55 HG SER 55 12.640 11.948 -2.267 457 H THR 56 H THR 56 12.184 13.380 -0.176 458 HA THR 56 HA THR 56 11.205 15.693 -1.840 459 HB THR 56 HB THR 56 10.109 16.377 0.002 460 HG1 THR 56 HG1 THR 56 12.593 16.920 1.173 461 1HG2 THR 56 1HG2 THR 56 10.568 15.564 2.304 462 2HG2 THR 56 2HG2 THR 56 12.093 14.846 1.797 463 3HG2 THR 56 3HG2 THR 56 10.545 14.184 1.228 464 H PHE 57 H PHE 57 13.714 14.367 0.376 465 HA PHE 57 HA PHE 57 15.624 16.386 0.191 466 1HB PHE 57 1HB PHE 57 15.755 13.454 0.844 467 2HB PHE 57 2HB PHE 57 17.265 14.299 0.381 468 HD1 PHE 57 HD1 PHE 57 18.516 15.082 2.259 469 HD2 PHE 57 HD2 PHE 57 14.203 15.217 2.400 470 HE1 PHE 57 HE1 PHE 57 18.546 16.143 4.548 471 HE2 PHE 57 HE2 PHE 57 14.274 16.253 4.592 472 HZ PHE 57 HZ PHE 57 16.439 16.723 5.692 473 H ARG 58 H ARG 58 16.164 13.265 -1.358 474 HA ARG 58 HA ARG 58 17.348 14.632 -3.715 475 1HB ARG 58 1HB ARG 58 17.734 11.855 -2.593 476 2HB ARG 58 2HB ARG 58 18.499 12.472 -4.061 477 1HG ARG 58 1HG ARG 58 18.881 14.099 -1.545 478 2HG ARG 58 2HG ARG 58 19.861 12.616 -1.813 479 1HD ARG 58 1HD ARG 58 21.200 14.080 -2.972 480 2HD ARG 58 2HD ARG 58 20.045 13.660 -4.266 481 HE ARG 58 HE ARG 58 18.804 15.730 -3.034 482 1HH1 ARG 58 1HH1 ARG 58 22.067 15.396 -4.395 483 2HH1 ARG 58 2HH1 ARG 58 22.176 17.063 -4.805 484 1HH2 ARG 58 1HH2 ARG 58 19.000 17.933 -3.597 485 2HH2 ARG 58 2HH2 ARG 58 20.472 18.517 -4.348 486 H ASN 59 H ASN 59 14.915 12.248 -2.681 487 HA ASN 59 HA ASN 59 13.326 11.037 -3.888 488 1HB ASN 59 1HB ASN 59 13.825 12.923 -6.234 489 2HB ASN 59 2HB ASN 59 12.364 11.972 -5.843 490 1HD2 ASN 59 1HD2 ASN 59 10.803 12.822 -4.750 491 2HD2 ASN 59 2HD2 ASN 59 10.843 14.368 -3.929 492 H TYR 60 H TYR 60 14.748 9.293 -3.984 493 HA TYR 60 HA TYR 60 16.811 8.830 -5.864 494 1HB TYR 60 1HB TYR 60 15.819 7.407 -3.777 495 2HB TYR 60 2HB TYR 60 15.167 6.458 -5.204 496 HD1 TYR 60 HD1 TYR 60 17.923 6.739 -3.018 497 HD2 TYR 60 HD2 TYR 60 17.101 6.256 -7.179 498 HE1 TYR 60 HE1 TYR 60 20.172 5.820 -3.304 499 HE2 TYR 60 HE2 TYR 60 19.340 5.334 -7.488 500 HH TYR 60 HH TYR 60 21.804 5.574 -5.075 501 H ILE 61 H ILE 61 16.710 8.796 -7.957 502 HA ILE 61 HA ILE 61 14.177 7.745 -9.234 503 HB ILE 61 HB ILE 61 15.783 10.230 -9.920 504 1HG1 ILE 61 1HG1 ILE 61 12.834 10.236 -10.016 505 2HG1 ILE 61 2HG1 ILE 61 13.334 9.766 -8.453 506 1HG2 ILE 61 1HG2 ILE 61 14.348 8.329 -11.732 507 2HG2 ILE 61 2HG2 ILE 61 15.527 9.626 -12.064 508 3HG2 ILE 61 3HG2 ILE 61 13.798 9.993 -11.873 509 1HD1 ILE 61 1HD1 ILE 61 15.055 11.921 -8.788 510 2HD1 ILE 61 2HD1 ILE 61 13.417 12.135 -8.099 511 3HD1 ILE 61 3HD1 ILE 61 13.692 12.428 -9.818 512 H MET 62 H MET 62 14.642 5.965 -10.166 513 HA MET 62 HA MET 62 17.128 5.637 -11.769 514 1HB MET 62 1HB MET 62 15.517 3.216 -10.842 515 2HB MET 62 2HB MET 62 17.260 3.386 -11.166 516 1HG MET 62 1HG MET 62 17.220 4.934 -9.031 517 2HG MET 62 2HG MET 62 15.661 4.147 -8.696 518 1HE MET 62 1HE MET 62 16.367 0.753 -7.390 519 2HE MET 62 2HE MET 62 15.262 1.465 -8.569 520 3HE MET 62 3HE MET 62 15.552 2.325 -7.029 521 H ASP 63 H ASP 63 16.648 3.877 -13.440 522 HA ASP 63 HA ASP 63 13.999 3.467 -14.450 523 1HB ASP 63 1HB ASP 63 14.725 4.707 -16.676 524 2HB ASP 63 2HB ASP 63 14.215 5.712 -15.330 525 H PHE 64 H PHE 64 14.125 1.491 -15.457 526 HA PHE 64 HA PHE 64 16.833 0.593 -16.419 527 1HB PHE 64 1HB PHE 64 14.852 -0.956 -14.720 528 2HB PHE 64 2HB PHE 64 16.284 -1.616 -15.502 529 HD1 PHE 64 HD1 PHE 64 18.244 0.483 -15.133 530 HD2 PHE 64 HD2 PHE 64 15.316 -0.949 -12.356 531 HE1 PHE 64 HE1 PHE 64 19.696 1.203 -13.265 532 HE2 PHE 64 HE2 PHE 64 16.729 -0.235 -10.495 533 HZ PHE 64 HZ PHE 64 18.937 0.840 -10.876 534 H GLN 65 H GLN 65 16.556 -1.625 -17.436 535 HA GLN 65 HA GLN 65 14.143 -1.783 -19.149 536 1HB GLN 65 1HB GLN 65 17.082 -2.133 -19.893 537 2HB GLN 65 2HB GLN 65 15.786 -2.710 -20.933 538 1HG GLN 65 1HG GLN 65 15.010 -0.076 -20.478 539 2HG GLN 65 2HG GLN 65 16.744 0.098 -20.280 540 1HE2 GLN 65 1HE2 GLN 65 17.873 0.482 -22.278 541 2HE2 GLN 65 2HE2 GLN 65 17.249 0.057 -23.854 542 H VAL 66 H VAL 66 13.247 -3.515 -18.075 543 HA VAL 66 HA VAL 66 14.321 -5.537 -16.563 544 HB VAL 66 HB VAL 66 11.929 -5.395 -18.375 545 1HG1 VAL 66 1HG1 VAL 66 12.619 -7.654 -18.875 546 2HG1 VAL 66 2HG1 VAL 66 11.390 -7.769 -17.614 547 3HG1 VAL 66 3HG1 VAL 66 13.129 -7.941 -17.190 548 1HG2 VAL 66 1HG2 VAL 66 11.701 -4.455 -16.088 549 2HG2 VAL 66 2HG2 VAL 66 12.525 -5.847 -15.393 550 3HG2 VAL 66 3HG2 VAL 66 10.869 -5.986 -16.052 551 H GLY 67 H GLY 67 15.158 -7.558 -16.919 552 1HA GLY 67 1HA GLY 67 16.429 -9.200 -17.988 553 2HA GLY 67 2HA GLY 67 15.322 -8.949 -19.315 554 H LYS 68 H LYS 68 18.098 -7.239 -17.734 555 HA LYS 68 HA LYS 68 19.817 -7.356 -20.007 556 1HB LYS 68 1HB LYS 68 17.789 -5.371 -20.124 557 2HB LYS 68 2HB LYS 68 19.360 -4.587 -19.960 558 1HG LYS 68 1HG LYS 68 19.652 -6.702 -21.941 559 2HG LYS 68 2HG LYS 68 18.155 -5.839 -22.279 560 1HD LYS 68 1HD LYS 68 20.964 -4.728 -22.087 561 2HD LYS 68 2HD LYS 68 19.931 -4.714 -23.510 562 1HE LYS 68 1HE LYS 68 19.287 -2.579 -22.852 563 2HE LYS 68 2HE LYS 68 18.447 -3.353 -21.476 564 1HZ LYS 68 1HZ LYS 68 19.918 -2.672 -20.063 565 2HZ LYS 68 2HZ LYS 68 20.347 -1.551 -21.277 566 3HZ LYS 68 3HZ LYS 68 21.272 -2.957 -21.015 567 H GLU 69 H GLU 69 21.649 -5.940 -19.938 568 HA GLU 69 HA GLU 69 22.656 -5.743 -17.183 569 1HB GLU 69 1HB GLU 69 23.949 -6.666 -19.140 570 2HB GLU 69 2HB GLU 69 23.976 -5.051 -19.843 571 1HG GLU 69 1HG GLU 69 25.206 -4.219 -17.785 572 2HG GLU 69 2HG GLU 69 25.302 -5.884 -17.210 573 H PHE 70 H PHE 70 22.954 -3.834 -16.076 574 HA PHE 70 HA PHE 70 22.894 -1.273 -17.605 575 1HB PHE 70 1HB PHE 70 20.601 -2.238 -16.663 576 2HB PHE 70 2HB PHE 70 21.167 -1.430 -15.195 577 HD1 PHE 70 HD1 PHE 70 20.714 0.774 -14.827 578 HD2 PHE 70 HD2 PHE 70 20.884 -0.660 -18.871 579 HE1 PHE 70 HE1 PHE 70 20.062 2.996 -15.661 580 HE2 PHE 70 HE2 PHE 70 20.229 1.568 -19.740 581 HZ PHE 70 HZ PHE 70 19.817 3.420 -18.067 582 H GLU 71 H GLU 71 24.777 -0.258 -16.930 583 HA GLU 71 HA GLU 71 25.818 -0.809 -14.244 584 1HB GLU 71 1HB GLU 71 27.565 0.841 -14.832 585 2HB GLU 71 2HB GLU 71 27.346 -0.356 -16.165 586 1HG GLU 71 1HG GLU 71 25.747 1.412 -17.218 587 2HG GLU 71 2HG GLU 71 26.386 2.562 -16.094 588 H GLU 72 H GLU 72 25.509 0.455 -12.435 589 HA GLU 72 HA GLU 72 23.444 2.560 -12.699 590 1HB GLU 72 1HB GLU 72 23.681 0.444 -11.023 591 2HB GLU 72 2HB GLU 72 24.348 1.731 -10.013 592 1HG GLU 72 1HG GLU 72 22.396 3.096 -10.276 593 2HG GLU 72 2HG GLU 72 21.744 2.105 -11.532 594 H ASP 73 H ASP 73 26.729 1.910 -11.557 595 HA ASP 73 HA ASP 73 28.531 3.286 -11.172 596 1HB ASP 73 1HB ASP 73 26.817 5.733 -11.700 597 2HB ASP 73 2HB ASP 73 28.586 5.505 -11.753 598 H LEU 74 H LEU 74 25.514 5.001 -9.998 599 HA LEU 74 HA LEU 74 24.896 5.591 -7.910 600 1HB LEU 74 1HB LEU 74 25.804 3.068 -7.733 601 2HB LEU 74 2HB LEU 74 26.683 3.866 -6.396 602 HG LEU 74 HG LEU 74 24.075 4.857 -6.186 603 1HD1 LEU 74 1HD1 LEU 74 22.560 3.065 -6.481 604 2HD1 LEU 74 2HD1 LEU 74 23.853 1.851 -6.371 605 3HD1 LEU 74 3HD1 LEU 74 23.655 2.845 -7.833 606 1HD2 LEU 74 1HD2 LEU 74 25.912 2.900 -4.739 607 2HD2 LEU 74 2HD2 LEU 74 24.220 2.967 -4.194 608 3HD2 LEU 74 3HD2 LEU 74 25.171 4.432 -4.164 609 H THR 75 H THR 75 27.132 7.064 -9.104 610 HA THR 75 HA THR 75 29.187 7.558 -7.239 611 HB THR 75 HB THR 75 28.923 8.339 -9.635 612 HG1 THR 75 HG1 THR 75 30.404 10.172 -8.983 613 1HG2 THR 75 1HG2 THR 75 27.855 10.831 -8.170 614 2HG2 THR 75 2HG2 THR 75 26.948 9.869 -9.329 615 3HG2 THR 75 3HG2 THR 75 28.353 10.841 -9.873 616 H GLY 76 H GLY 76 29.141 8.471 -5.317 617 1HA GLY 76 1HA GLY 76 28.546 9.912 -3.542 618 2HA GLY 76 2HA GLY 76 27.376 10.688 -4.639 619 H ILE 77 H ILE 77 27.395 9.320 -1.842 620 HA ILE 77 HA ILE 77 25.647 8.704 -0.485 621 HB ILE 77 HB ILE 77 24.138 7.583 -2.896 622 1HG1 ILE 77 1HG1 ILE 77 23.240 10.190 -1.779 623 2HG1 ILE 77 2HG1 ILE 77 24.714 10.334 -2.669 624 1HG2 ILE 77 1HG2 ILE 77 22.187 8.398 -1.104 625 2HG2 ILE 77 2HG2 ILE 77 23.476 8.000 0.034 626 3HG2 ILE 77 3HG2 ILE 77 22.947 6.793 -1.140 627 1HD1 ILE 77 1HD1 ILE 77 23.310 8.751 -4.476 628 2HD1 ILE 77 2HD1 ILE 77 23.378 10.502 -4.515 629 3HD1 ILE 77 3HD1 ILE 77 21.979 9.655 -3.760 630 H ASP 78 H ASP 78 27.930 7.355 -1.730 631 HA ASP 78 HA ASP 78 28.532 5.213 -0.312 632 1HB ASP 78 1HB ASP 78 26.544 4.129 -0.386 633 2HB ASP 78 2HB ASP 78 26.441 4.135 -2.169 634 H ASP 79 H ASP 79 28.129 6.066 -3.716 635 HA ASP 79 HA ASP 79 29.537 5.761 -5.608 636 1HB ASP 79 1HB ASP 79 32.073 5.836 -4.260 637 2HB ASP 79 2HB ASP 79 31.347 6.792 -5.551 638 H ARG 80 H ARG 80 28.543 3.246 -4.997 639 HA ARG 80 HA ARG 80 30.695 1.402 -4.447 640 1HB ARG 80 1HB ARG 80 28.088 1.031 -4.270 641 2HB ARG 80 2HB ARG 80 28.211 0.524 -5.937 642 1HG ARG 80 1HG ARG 80 29.957 -1.145 -5.319 643 2HG ARG 80 2HG ARG 80 29.865 -0.668 -3.643 644 1HD ARG 80 1HD ARG 80 28.284 -2.666 -4.907 645 2HD ARG 80 2HD ARG 80 28.080 -1.998 -3.270 646 HE ARG 80 HE ARG 80 26.629 -1.177 -5.702 647 1HH1 ARG 80 1HH1 ARG 80 27.140 -0.601 -2.183 648 2HH1 ARG 80 2HH1 ARG 80 25.684 0.319 -2.062 649 1HH2 ARG 80 1HH2 ARG 80 24.771 0.048 -5.381 650 2HH2 ARG 80 2HH2 ARG 80 24.355 0.698 -3.811 651 H LYS 81 H LYS 81 28.707 1.664 -7.372 652 HA LYS 81 HA LYS 81 29.219 1.755 -9.605 653 1HB LYS 81 1HB LYS 81 31.833 2.259 -8.696 654 2HB LYS 81 2HB LYS 81 32.038 0.631 -9.202 655 1HG LYS 81 1HG LYS 81 30.819 2.621 -11.168 656 2HG LYS 81 2HG LYS 81 32.585 2.391 -11.022 657 1HD LYS 81 1HD LYS 81 32.365 0.015 -11.489 658 2HD LYS 81 2HD LYS 81 30.600 0.144 -11.462 659 1HE LYS 81 1HE LYS 81 30.480 0.733 -13.627 660 2HE LYS 81 2HE LYS 81 31.535 2.102 -13.422 661 1HZ LYS 81 1HZ LYS 81 32.527 0.677 -14.999 662 2HZ LYS 81 2HZ LYS 81 32.389 -0.710 -14.064 663 3HZ LYS 81 3HZ LYS 81 33.491 0.475 -13.626 664 H CYS 82 H CYS 82 28.237 -0.039 -10.519 665 HA CYS 82 HA CYS 82 29.420 -2.687 -10.016 666 1HB CYS 82 1HB CYS 82 26.984 -3.511 -9.574 667 2HB CYS 82 2HB CYS 82 27.806 -2.650 -8.273 668 HG CYS 82 HG CYS 82 26.648 -0.341 -8.771 669 H MET 83 H MET 83 28.144 -4.338 -11.365 670 HA MET 83 HA MET 83 27.289 -3.084 -13.932 671 1HB MET 83 1HB MET 83 28.738 -5.775 -13.382 672 2HB MET 83 2HB MET 83 28.219 -5.254 -14.972 673 1HG MET 83 1HG MET 83 30.234 -4.235 -15.280 674 2HG MET 83 2HG MET 83 29.816 -3.084 -14.054 675 1HE MET 83 1HE MET 83 32.470 -5.772 -14.932 676 2HE MET 83 2HE MET 83 33.582 -5.145 -13.662 677 3HE MET 83 3HE MET 83 32.785 -4.014 -14.768 678 H THR 84 H THR 84 25.373 -2.996 -12.598 679 HA THR 84 HA THR 84 24.120 -5.442 -11.637 680 HB THR 84 HB THR 84 23.362 -2.584 -11.928 681 HG1 THR 84 HG1 THR 84 23.171 -3.118 -9.596 682 1HG2 THR 84 1HG2 THR 84 21.641 -5.028 -11.410 683 2HG2 THR 84 2HG2 THR 84 21.120 -3.467 -12.018 684 3HG2 THR 84 3HG2 THR 84 21.373 -3.690 -10.273 685 H THR 85 H THR 85 22.607 -6.693 -12.352 686 HA THR 85 HA THR 85 21.362 -6.105 -15.040 687 HB THR 85 HB THR 85 21.708 -8.916 -13.908 688 HG1 THR 85 HG1 THR 85 23.729 -9.057 -14.732 689 1HG2 THR 85 1HG2 THR 85 21.301 -9.653 -16.046 690 2HG2 THR 85 2HG2 THR 85 22.169 -8.338 -16.833 691 3HG2 THR 85 3HG2 THR 85 20.515 -8.064 -16.264 692 H VAL 86 H VAL 86 19.138 -6.119 -14.941 693 HA VAL 86 HA VAL 86 17.934 -7.090 -12.376 694 HB VAL 86 HB VAL 86 17.645 -4.712 -13.726 695 1HG1 VAL 86 1HG1 VAL 86 16.393 -5.969 -15.572 696 2HG1 VAL 86 2HG1 VAL 86 15.482 -4.664 -14.855 697 3HG1 VAL 86 3HG1 VAL 86 15.126 -6.361 -14.398 698 1HG2 VAL 86 1HG2 VAL 86 16.907 -5.106 -11.328 699 2HG2 VAL 86 2HG2 VAL 86 15.617 -6.131 -11.895 700 3HG2 VAL 86 3HG2 VAL 86 15.562 -4.366 -12.207 701 H SER 87 H SER 87 15.927 -8.354 -12.681 702 HA SER 87 HA SER 87 15.612 -9.778 -15.296 703 1HB SER 87 1HB SER 87 17.159 -11.009 -13.469 704 2HB SER 87 2HB SER 87 15.613 -11.378 -12.759 705 HG SER 87 HG SER 87 16.671 -12.069 -15.226 706 H TRP 88 H TRP 88 13.718 -11.207 -15.238 707 HA TRP 88 HA TRP 88 11.631 -10.206 -13.277 708 1HB TRP 88 1HB TRP 88 9.937 -10.242 -14.961 709 2HB TRP 88 2HB TRP 88 11.281 -9.356 -15.619 710 HD1 TRP 88 HD1 TRP 88 8.969 -12.198 -16.194 711 HE1 TRP 88 HE1 TRP 88 9.599 -13.477 -18.419 712 HE3 TRP 88 HE3 TRP 88 13.628 -10.146 -17.169 713 HZ2 TRP 88 HZ2 TRP 88 11.701 -13.569 -20.250 714 HZ3 TRP 88 HZ3 TRP 88 14.871 -10.875 -19.138 715 HH2 TRP 88 HH2 TRP 88 13.892 -12.614 -20.714 716 H ASP 89 H ASP 89 10.929 -11.757 -12.073 717 HA ASP 89 HA ASP 89 11.457 -14.607 -12.863 718 1HB ASP 89 1HB ASP 89 10.694 -12.992 -10.356 719 2HB ASP 89 2HB ASP 89 10.084 -14.645 -10.494 720 H GLY 90 H GLY 90 9.314 -15.939 -12.452 721 1HA GLY 90 1HA GLY 90 7.394 -14.933 -14.337 722 2HA GLY 90 2HA GLY 90 7.216 -16.433 -13.281 723 H ASP 91 H ASP 91 7.730 -14.733 -10.832 724 HA ASP 91 HA ASP 91 5.300 -12.938 -10.896 725 1HB ASP 91 1HB ASP 91 4.224 -13.822 -9.098 726 2HB ASP 91 2HB ASP 91 4.347 -15.061 -10.410 727 H LYS 92 H LYS 92 8.347 -12.632 -10.504 728 HA LYS 92 HA LYS 92 8.023 -10.892 -8.147 729 1HB LYS 92 1HB LYS 92 10.542 -12.458 -8.056 730 2HB LYS 92 2HB LYS 92 9.437 -11.964 -6.765 731 1HG LYS 92 1HG LYS 92 7.958 -13.886 -7.179 732 2HG LYS 92 2HG LYS 92 8.947 -14.386 -8.565 733 1HD LYS 92 1HD LYS 92 10.269 -13.852 -5.892 734 2HD LYS 92 2HD LYS 92 9.255 -15.279 -5.949 735 1HE LYS 92 1HE LYS 92 10.623 -16.128 -7.885 736 2HE LYS 92 2HE LYS 92 11.665 -14.659 -7.781 737 1HZ LYS 92 1HZ LYS 92 12.720 -16.446 -6.683 738 2HZ LYS 92 2HZ LYS 92 11.406 -16.683 -5.626 739 3HZ LYS 92 3HZ LYS 92 12.319 -15.287 -5.560 740 H LEU 93 H LEU 93 10.936 -10.484 -7.901 741 HA LEU 93 HA LEU 93 12.006 -9.949 -10.523 742 1HB LEU 93 1HB LEU 93 10.212 -8.135 -10.006 743 2HB LEU 93 2HB LEU 93 11.334 -7.543 -8.792 744 HG LEU 93 HG LEU 93 13.060 -7.620 -10.849 745 1HD1 LEU 93 1HD1 LEU 93 11.154 -8.550 -12.367 746 2HD1 LEU 93 2HD1 LEU 93 11.939 -7.052 -12.974 747 3HD1 LEU 93 3HD1 LEU 93 10.343 -7.022 -12.144 748 1HD2 LEU 93 1HD2 LEU 93 10.976 -5.398 -10.471 749 2HD2 LEU 93 2HD2 LEU 93 12.631 -5.125 -11.094 750 3HD2 LEU 93 3HD2 LEU 93 12.430 -5.619 -9.431 751 H GLN 94 H GLN 94 14.190 -9.769 -10.218 752 HA GLN 94 HA GLN 94 15.224 -9.385 -7.433 753 1HB GLN 94 1HB GLN 94 15.995 -11.471 -9.471 754 2HB GLN 94 2HB GLN 94 17.040 -11.085 -8.141 755 1HG GLN 94 1HG GLN 94 14.354 -11.552 -7.082 756 2HG GLN 94 2HG GLN 94 14.709 -12.830 -8.196 757 1HE2 GLN 94 1HE2 GLN 94 14.387 -13.217 -5.390 758 2HE2 GLN 94 2HE2 GLN 94 15.879 -13.761 -4.699 759 H CYS 95 H CYS 95 17.392 -8.747 -7.210 760 HA CYS 95 HA CYS 95 18.602 -7.580 -9.714 761 1HB CYS 95 1HB CYS 95 18.985 -5.987 -7.240 762 2HB CYS 95 2HB CYS 95 18.833 -5.532 -8.981 763 HG CYS 95 HG CYS 95 16.391 -6.517 -6.964 764 H VAL 96 H VAL 96 20.779 -7.530 -9.792 765 HA VAL 96 HA VAL 96 22.343 -8.628 -7.467 766 HB VAL 96 HB VAL 96 22.066 -9.808 -10.181 767 1HG1 VAL 96 1HG1 VAL 96 24.488 -9.377 -10.019 768 2HG1 VAL 96 2HG1 VAL 96 24.194 -11.115 -9.736 769 3HG1 VAL 96 3HG1 VAL 96 24.591 -10.040 -8.388 770 1HG2 VAL 96 1HG2 VAL 96 22.128 -11.908 -8.608 771 2HG2 VAL 96 2HG2 VAL 96 20.781 -10.791 -8.315 772 3HG2 VAL 96 3HG2 VAL 96 22.185 -10.732 -7.253 773 H GLN 97 H GLN 97 24.586 -7.988 -7.506 774 HA GLN 97 HA GLN 97 25.498 -6.108 -9.600 775 1HB GLN 97 1HB GLN 97 25.993 -5.135 -6.875 776 2HB GLN 97 2HB GLN 97 25.410 -4.246 -8.305 777 1HG GLN 97 1HG GLN 97 23.130 -4.905 -7.961 778 2HG GLN 97 2HG GLN 97 23.576 -5.974 -6.619 779 1HE2 GLN 97 1HE2 GLN 97 22.691 -2.803 -7.591 780 2HE2 GLN 97 2HE2 GLN 97 22.802 -2.022 -6.042 781 H LYS 98 H LYS 98 27.757 -5.856 -9.531 782 HA LYS 98 HA LYS 98 29.273 -7.967 -7.988 783 1HB LYS 98 1HB LYS 98 30.045 -6.717 -10.623 784 2HB LYS 98 2HB LYS 98 30.725 -8.100 -9.834 785 1HG LYS 98 1HG LYS 98 28.097 -8.952 -10.083 786 2HG LYS 98 2HG LYS 98 28.228 -7.782 -11.447 787 1HD LYS 98 1HD LYS 98 30.582 -9.263 -11.572 788 2HD LYS 98 2HD LYS 98 29.407 -10.476 -10.994 789 1HE LYS 98 1HE LYS 98 29.609 -10.278 -13.590 790 2HE LYS 98 2HE LYS 98 27.940 -10.020 -12.996 791 1HZ LYS 98 1HZ LYS 98 29.164 -8.370 -14.643 792 2HZ LYS 98 2HZ LYS 98 29.682 -7.712 -13.177 793 3HZ LYS 98 3HZ LYS 98 28.018 -7.853 -13.527 794 H GLY 99 H GLY 99 29.505 -6.361 -6.261 795 1HA GLY 99 1HA GLY 99 31.857 -4.612 -6.823 796 2HA GLY 99 2HA GLY 99 30.416 -3.808 -6.238 797 H GLU 100 H GLU 100 32.858 -6.214 -5.311 798 HA GLU 100 HA GLU 100 33.441 -7.078 -3.278 799 1HB GLU 100 1HB GLU 100 32.830 -4.639 -1.878 800 2HB GLU 100 2HB GLU 100 34.332 -5.562 -1.999 801 1HG GLU 100 1HG GLU 100 33.258 -3.602 -4.081 802 2HG GLU 100 2HG GLU 100 34.589 -3.336 -3.008 803 H LYS 101 H LYS 101 32.667 -6.221 -0.608 804 HA LYS 101 HA LYS 101 31.239 -6.694 1.056 805 1HB LYS 101 1HB LYS 101 29.284 -5.957 -1.058 806 2HB LYS 101 2HB LYS 101 28.758 -6.589 0.517 807 1HG LYS 101 1HG LYS 101 29.003 -3.977 0.273 808 2HG LYS 101 2HG LYS 101 29.648 -4.807 1.713 809 1HD LYS 101 1HD LYS 101 31.900 -4.792 0.868 810 2HD LYS 101 2HD LYS 101 31.334 -4.170 -0.704 811 1HE LYS 101 1HE LYS 101 30.620 -2.593 1.773 812 2HE LYS 101 2HE LYS 101 32.302 -2.436 1.079 813 1HZ LYS 101 1HZ LYS 101 30.928 -2.190 -1.116 814 2HZ LYS 101 2HZ LYS 101 31.131 -0.883 -0.048 815 3HZ LYS 101 3HZ LYS 101 29.684 -1.765 -0.101 816 H GLU 102 H GLU 102 29.572 -8.149 1.819 817 HA GLU 102 HA GLU 102 29.972 -10.929 0.743 818 1HB GLU 102 1HB GLU 102 28.768 -9.881 3.350 819 2HB GLU 102 2HB GLU 102 29.139 -11.557 2.963 820 1HG GLU 102 1HG GLU 102 31.565 -9.980 2.684 821 2HG GLU 102 2HG GLU 102 30.815 -9.688 4.272 822 H GLY 103 H GLY 103 27.614 -8.620 0.316 823 1HA GLY 103 1HA GLY 103 25.637 -10.475 -0.651 824 2HA GLY 103 2HA GLY 103 25.279 -10.252 0.978 825 H ARG 104 H ARG 104 26.145 -8.078 -1.775 826 HA ARG 104 HA ARG 104 24.124 -6.104 -0.912 827 1HB ARG 104 1HB ARG 104 25.238 -5.676 -3.544 828 2HB ARG 104 2HB ARG 104 24.968 -4.645 -2.165 829 1HG ARG 104 1HG ARG 104 27.312 -4.662 -2.028 830 2HG ARG 104 2HG ARG 104 27.092 -6.208 -1.194 831 1HD ARG 104 1HD ARG 104 27.008 -6.299 -4.168 832 2HD ARG 104 2HD ARG 104 28.582 -5.928 -3.452 833 HE ARG 104 HE ARG 104 28.313 -7.962 -2.061 834 1HH1 ARG 104 1HH1 ARG 104 26.668 -7.848 -5.242 835 2HH1 ARG 104 2HH1 ARG 104 26.725 -9.567 -5.369 836 1HH2 ARG 104 1HH2 ARG 104 28.302 -10.112 -2.339 837 2HH2 ARG 104 2HH2 ARG 104 27.612 -10.905 -3.747 838 H GLY 105 H GLY 105 22.454 -5.393 -2.470 839 1HA GLY 105 1HA GLY 105 21.451 -5.996 -4.732 840 2HA GLY 105 2HA GLY 105 21.464 -7.694 -4.135 841 H TRP 106 H TRP 106 19.151 -6.206 -4.953 842 HA TRP 106 HA TRP 106 17.606 -6.070 -2.358 843 1HB TRP 106 1HB TRP 106 16.637 -4.662 -4.765 844 2HB TRP 106 2HB TRP 106 16.302 -4.378 -3.104 845 HD1 TRP 106 HD1 TRP 106 18.967 -3.795 -1.686 846 HE1 TRP 106 HE1 TRP 106 20.582 -1.974 -2.330 847 HE3 TRP 106 HE3 TRP 106 17.495 -3.049 -6.560 848 HZ2 TRP 106 HZ2 TRP 106 21.252 -0.366 -4.555 849 HZ3 TRP 106 HZ3 TRP 106 18.703 -1.307 -7.892 850 HH2 TRP 106 HH2 TRP 106 20.574 0.038 -6.898 851 H THR 107 H THR 107 15.477 -6.888 -2.440 852 HA THR 107 HA THR 107 14.944 -8.761 -4.754 853 HB THR 107 HB THR 107 14.080 -9.478 -1.937 854 HG1 THR 107 HG1 THR 107 16.140 -10.565 -1.781 855 1HG2 THR 107 1HG2 THR 107 14.745 -10.778 -4.626 856 2HG2 THR 107 2HG2 THR 107 13.333 -11.107 -3.594 857 3HG2 THR 107 3HG2 THR 107 14.900 -11.782 -3.168 858 H GLN 108 H GLN 108 12.942 -8.798 -5.398 859 HA GLN 108 HA GLN 108 10.859 -7.148 -3.919 860 1HB GLN 108 1HB GLN 108 12.045 -6.703 -6.419 861 2HB GLN 108 2HB GLN 108 10.718 -7.700 -6.893 862 1HG GLN 108 1HG GLN 108 9.091 -6.259 -6.251 863 2HG GLN 108 2HG GLN 108 10.134 -5.286 -5.168 864 1HE2 GLN 108 1HE2 GLN 108 11.564 -3.723 -6.145 865 2HE2 GLN 108 2HE2 GLN 108 11.405 -3.268 -7.838 866 H TRP 109 H TRP 109 9.179 -8.277 -3.267 867 HA TRP 109 HA TRP 109 8.354 -10.671 -4.817 868 1HB TRP 109 1HB TRP 109 9.596 -11.515 -2.878 869 2HB TRP 109 2HB TRP 109 8.627 -10.604 -1.764 870 HD1 TRP 109 HD1 TRP 109 5.681 -11.195 -2.115 871 HE1 TRP 109 HE1 TRP 109 4.631 -13.514 -2.175 872 HE3 TRP 109 HE3 TRP 109 9.928 -13.925 -3.343 873 HZ2 TRP 109 HZ2 TRP 109 5.485 -16.111 -2.671 874 HZ3 TRP 109 HZ3 TRP 109 9.683 -16.329 -3.574 875 HH2 TRP 109 HH2 TRP 109 7.483 -17.461 -3.250 876 H ILE 110 H ILE 110 6.223 -10.850 -5.092 877 HA ILE 110 HA ILE 110 4.546 -8.589 -4.067 878 HB ILE 110 HB ILE 110 4.762 -10.089 -6.595 879 1HG1 ILE 110 1HG1 ILE 110 3.928 -7.227 -6.614 880 2HG1 ILE 110 2HG1 ILE 110 5.396 -7.459 -5.724 881 1HG2 ILE 110 1HG2 ILE 110 2.346 -10.416 -6.059 882 2HG2 ILE 110 2HG2 ILE 110 2.418 -9.055 -7.181 883 3HG2 ILE 110 3HG2 ILE 110 2.216 -8.726 -5.477 884 1HD1 ILE 110 1HD1 ILE 110 6.606 -8.290 -7.534 885 2HD1 ILE 110 2HD1 ILE 110 5.547 -7.144 -8.374 886 3HD1 ILE 110 3HD1 ILE 110 5.172 -8.879 -8.389 887 H GLU 111 H GLU 111 2.659 -8.877 -3.154 888 HA GLU 111 HA GLU 111 1.483 -11.629 -2.792 889 1HB GLU 111 1HB GLU 111 2.054 -9.391 -0.883 890 2HB GLU 111 2HB GLU 111 0.501 -10.212 -0.663 891 1HG GLU 111 1HG GLU 111 3.029 -11.794 -0.927 892 2HG GLU 111 2HG GLU 111 2.575 -11.078 0.643 893 H GLY 112 H GLY 112 -0.861 -11.297 -2.244 894 1HA GLY 112 1HA GLY 112 -2.483 -10.522 -4.248 895 2HA GLY 112 2HA GLY 112 -2.953 -10.373 -2.508 896 H ASP 113 H ASP 113 -2.553 -8.285 -1.450 897 HA ASP 113 HA ASP 113 -2.420 -6.034 -3.460 898 1HB ASP 113 1HB ASP 113 -4.290 -6.446 -1.145 899 2HB ASP 113 2HB ASP 113 -3.693 -4.809 -1.447 900 H GLU 114 H GLU 114 -0.385 -7.535 -1.648 901 HA GLU 114 HA GLU 114 0.765 -5.045 -0.463 902 1HB GLU 114 1HB GLU 114 0.845 -7.877 0.517 903 2HB GLU 114 2HB GLU 114 2.057 -6.739 1.040 904 1HG GLU 114 1HG GLU 114 -0.441 -5.384 1.407 905 2HG GLU 114 2HG GLU 114 -0.827 -7.035 1.848 906 H LEU 115 H LEU 115 2.958 -4.879 -0.402 907 HA LEU 115 HA LEU 115 4.435 -6.555 -2.361 908 1HB LEU 115 1HB LEU 115 4.145 -3.657 -2.149 909 2HB LEU 115 2HB LEU 115 5.753 -4.057 -1.631 910 HG LEU 115 HG LEU 115 5.819 -3.493 -3.967 911 1HD1 LEU 115 1HD1 LEU 115 6.550 -6.002 -4.741 912 2HD1 LEU 115 2HD1 LEU 115 6.542 -6.151 -2.948 913 3HD1 LEU 115 3HD1 LEU 115 7.577 -4.959 -3.752 914 1HD2 LEU 115 1HD2 LEU 115 3.843 -4.051 -5.129 915 2HD2 LEU 115 2HD2 LEU 115 3.507 -5.467 -4.088 916 3HD2 LEU 115 3HD2 LEU 115 4.668 -5.598 -5.381 917 H HIS 116 H HIS 116 6.112 -7.705 -1.551 918 HA HIS 116 HA HIS 116 6.967 -7.166 1.273 919 1HB HIS 116 1HB HIS 116 5.744 -9.371 0.401 920 2HB HIS 116 2HB HIS 116 7.396 -9.732 -0.186 921 HD1 HIS 116 HD1 HIS 116 9.098 -8.632 2.065 922 HD2 HIS 116 HD2 HIS 116 5.692 -11.014 2.691 923 HE1 HIS 116 HE1 HIS 116 9.404 -9.706 4.332 924 HE2 HIS 116 HE2 HIS 116 7.288 -11.164 4.701 925 H LEU 117 H LEU 117 8.502 -5.526 0.428 926 HA LEU 117 HA LEU 117 10.693 -6.498 -1.298 927 1HB LEU 117 1HB LEU 117 9.733 -4.032 -0.974 928 2HB LEU 117 2HB LEU 117 10.709 -4.000 0.394 929 HG LEU 117 HG LEU 117 12.587 -4.895 -1.462 930 1HD1 LEU 117 1HD1 LEU 117 11.058 -4.837 -3.360 931 2HD1 LEU 117 2HD1 LEU 117 12.117 -3.451 -3.550 932 3HD1 LEU 117 3HD1 LEU 117 10.445 -3.245 -2.941 933 1HD2 LEU 117 1HD2 LEU 117 12.651 -2.788 0.104 934 2HD2 LEU 117 2HD2 LEU 117 11.964 -1.877 -1.245 935 3HD2 LEU 117 3HD2 LEU 117 13.522 -2.702 -1.452 936 H GLU 118 H GLU 118 12.785 -6.772 -0.797 937 HA GLU 118 HA GLU 118 13.589 -6.832 2.056 938 1HB GLU 118 1HB GLU 118 14.807 -9.108 0.773 939 2HB GLU 118 2HB GLU 118 13.721 -9.034 2.210 940 1HG GLU 118 1HG GLU 118 11.735 -9.286 0.894 941 2HG GLU 118 2HG GLU 118 12.566 -8.991 -0.609 942 H MET 119 H MET 119 15.780 -6.196 2.284 943 HA MET 119 HA MET 119 17.473 -6.051 -0.155 944 1HB MET 119 1HB MET 119 17.341 -3.896 1.922 945 2HB MET 119 2HB MET 119 18.098 -3.825 0.312 946 1HG MET 119 1HG MET 119 15.716 -3.860 -0.712 947 2HG MET 119 2HG MET 119 15.079 -3.862 0.938 948 1HE MET 119 1HE MET 119 15.860 -0.340 -1.429 949 2HE MET 119 2HE MET 119 15.652 -2.065 -1.859 950 3HE MET 119 3HE MET 119 17.272 -1.412 -1.514 951 H ARG 120 H ARG 120 19.739 -6.117 0.383 952 HA ARG 120 HA ARG 120 20.380 -6.567 3.284 953 1HB ARG 120 1HB ARG 120 21.379 -8.462 1.184 954 2HB ARG 120 2HB ARG 120 21.411 -8.572 2.962 955 1HG ARG 120 1HG ARG 120 18.761 -8.566 2.671 956 2HG ARG 120 2HG ARG 120 19.162 -9.141 1.063 957 1HD ARG 120 1HD ARG 120 20.898 -10.602 2.867 958 2HD ARG 120 2HD ARG 120 19.288 -10.520 3.619 959 HE ARG 120 HE ARG 120 19.944 -11.973 1.168 960 1HH1 ARG 120 1HH1 ARG 120 17.292 -10.478 3.133 961 2HH1 ARG 120 2HH1 ARG 120 16.104 -11.480 2.377 962 1HH2 ARG 120 1HH2 ARG 120 18.350 -13.164 0.303 963 2HH2 ARG 120 2HH2 ARG 120 16.694 -13.072 0.739 964 H ALA 121 H ALA 121 22.705 -6.711 3.628 965 HA ALA 121 HA ALA 121 24.591 -6.025 1.629 966 1HB ALA 121 1HB ALA 121 24.451 -3.850 1.331 967 2HB ALA 121 2HB ALA 121 24.593 -3.492 3.077 968 3HB ALA 121 3HB ALA 121 22.984 -3.797 2.378 969 H GLU 122 H GLU 122 26.423 -6.727 2.507 970 HA GLU 122 HA GLU 122 28.002 -7.405 3.998 971 1HB GLU 122 1HB GLU 122 28.028 -4.906 4.030 972 2HB GLU 122 2HB GLU 122 27.338 -5.076 5.660 973 1HG GLU 122 1HG GLU 122 29.265 -6.479 6.325 974 2HG GLU 122 2HG GLU 122 29.985 -6.363 4.721 975 H GLY 123 H GLY 123 25.491 -8.698 4.500 976 1HA GLY 123 1HA GLY 123 24.912 -10.308 6.104 977 2HA GLY 123 2HA GLY 123 25.935 -9.585 7.275 978 H VAL 124 H VAL 124 24.339 -6.957 6.183 979 HA VAL 124 HA VAL 124 22.431 -6.938 8.446 980 HB VAL 124 HB VAL 124 22.989 -4.662 6.500 981 1HG1 VAL 124 1HG1 VAL 124 21.473 -3.574 7.749 982 2HG1 VAL 124 2HG1 VAL 124 22.365 -3.905 9.260 983 3HG1 VAL 124 3HG1 VAL 124 21.129 -5.040 8.664 984 1HG2 VAL 124 1HG2 VAL 124 25.061 -4.355 7.457 985 2HG2 VAL 124 2HG2 VAL 124 24.848 -5.775 8.485 986 3HG2 VAL 124 3HG2 VAL 124 24.296 -4.197 9.060 987 H THR 125 H THR 125 20.294 -7.202 8.228 988 HA THR 125 HA THR 125 19.182 -7.225 5.451 989 HB THR 125 HB THR 125 18.341 -8.573 7.989 990 HG1 THR 125 HG1 THR 125 19.030 -10.417 6.888 991 1HG2 THR 125 1HG2 THR 125 17.218 -9.208 5.156 992 2HG2 THR 125 2HG2 THR 125 16.535 -7.895 6.088 993 3HG2 THR 125 3HG2 THR 125 16.499 -9.574 6.741 994 H CYS 126 H CYS 126 18.190 -5.405 5.017 995 HA CYS 126 HA CYS 126 16.311 -4.193 6.955 996 1HB CYS 126 1HB CYS 126 17.870 -2.435 6.359 997 2HB CYS 126 2HB CYS 126 18.053 -3.059 4.689 998 HG CYS 126 HG CYS 126 15.739 -2.283 3.885 999 H LYS 127 H LYS 127 14.290 -3.442 5.979 1000 HA LYS 127 HA LYS 127 13.483 -4.521 3.320 1001 1HB LYS 127 1HB LYS 127 11.630 -5.887 4.790 1002 2HB LYS 127 2HB LYS 127 12.978 -6.488 3.815 1003 1HG LYS 127 1HG LYS 127 14.347 -6.963 5.537 1004 2HG LYS 127 2HG LYS 127 13.634 -5.771 6.674 1005 1HD LYS 127 1HD LYS 127 12.848 -7.665 7.582 1006 2HD LYS 127 2HD LYS 127 11.523 -7.294 6.418 1007 1HE LYS 127 1HE LYS 127 13.572 -8.855 5.084 1008 2HE LYS 127 2HE LYS 127 13.061 -9.680 6.581 1009 1HZ LYS 127 1HZ LYS 127 11.674 -10.220 4.644 1010 2HZ LYS 127 2HZ LYS 127 11.218 -8.581 4.529 1011 3HZ LYS 127 3HZ LYS 127 10.749 -9.502 5.865 1012 H GLN 128 H GLN 128 11.052 -4.529 3.215 1013 HA GLN 128 HA GLN 128 9.739 -2.564 5.011 1014 1HB GLN 128 1HB GLN 128 9.410 -2.044 2.092 1015 2HB GLN 128 2HB GLN 128 9.197 -0.952 3.460 1016 1HG GLN 128 1HG GLN 128 11.658 -0.816 3.736 1017 2HG GLN 128 2HG GLN 128 11.907 -1.915 2.414 1018 1HE2 GLN 128 1HE2 GLN 128 9.546 0.828 2.638 1019 2HE2 GLN 128 2HE2 GLN 128 10.159 1.685 1.281 1020 H VAL 129 H VAL 129 7.561 -2.449 4.958 1021 HA VAL 129 HA VAL 129 6.164 -4.674 3.481 1022 HB VAL 129 HB VAL 129 5.169 -3.230 5.966 1023 1HG1 VAL 129 1HG1 VAL 129 3.696 -5.444 6.006 1024 2HG1 VAL 129 2HG1 VAL 129 4.263 -5.648 4.346 1025 3HG1 VAL 129 3HG1 VAL 129 3.314 -4.215 4.768 1026 1HG2 VAL 129 1HG2 VAL 129 6.549 -6.001 5.863 1027 2HG2 VAL 129 2HG2 VAL 129 5.617 -5.421 7.222 1028 3HG2 VAL 129 3HG2 VAL 129 7.108 -4.561 6.733 1029 H PHE 130 H PHE 130 5.116 -3.932 1.825 1030 HA PHE 130 HA PHE 130 4.132 -1.072 1.923 1031 1HB PHE 130 1HB PHE 130 4.877 -3.027 -0.290 1032 2HB PHE 130 2HB PHE 130 3.919 -1.547 -0.592 1033 HD1 PHE 130 HD1 PHE 130 7.308 -2.925 0.061 1034 HD2 PHE 130 HD2 PHE 130 4.993 0.731 -0.349 1035 HE1 PHE 130 HE1 PHE 130 9.360 -1.648 -0.171 1036 HE2 PHE 130 HE2 PHE 130 7.107 1.992 -0.575 1037 HZ PHE 130 HZ PHE 130 9.286 0.825 -0.491 1038 H LYS 131 H LYS 131 2.171 -0.602 0.816 1039 HA LYS 131 HA LYS 131 0.241 -2.876 0.717 1040 1HB LYS 131 1HB LYS 131 0.260 -0.711 2.623 1041 2HB LYS 131 2HB LYS 131 -0.892 -0.226 1.378 1042 1HG LYS 131 1HG LYS 131 -0.893 -2.624 3.237 1043 2HG LYS 131 2HG LYS 131 -2.133 -1.317 3.114 1044 1HD LYS 131 1HD LYS 131 -1.940 -2.504 0.504 1045 2HD LYS 131 2HD LYS 131 -1.799 -3.861 1.637 1046 1HE LYS 131 1HE LYS 131 -3.966 -3.611 2.416 1047 2HE LYS 131 2HE LYS 131 -3.955 -1.842 2.332 1048 1HZ LYS 131 1HZ LYS 131 -5.384 -2.722 0.660 1049 2HZ LYS 131 2HZ LYS 131 -4.194 -3.793 0.081 1050 3HZ LYS 131 3HZ LYS 131 -4.032 -2.145 -0.174 1051 H LYS 132 H LYS 132 -0.404 -3.022 -1.365 1052 HA LYS 132 HA LYS 132 0.072 -0.774 -3.145 1053 1HB LYS 132 1HB LYS 132 0.127 -3.278 -3.830 1054 2HB LYS 132 2HB LYS 132 -1.637 -3.154 -3.798 1055 1HG LYS 132 1HG LYS 132 -1.599 -1.523 -5.564 1056 2HG LYS 132 2HG LYS 132 0.154 -1.206 -5.374 1057 1HD LYS 132 1HD LYS 132 0.681 -3.376 -6.272 1058 2HD LYS 132 2HD LYS 132 -1.021 -3.899 -6.191 1059 1HE LYS 132 1HE LYS 132 -1.274 -3.216 -8.348 1060 2HE LYS 132 2HE LYS 132 -1.005 -1.555 -7.835 1061 1HZ LYS 132 1HZ LYS 132 1.367 -1.896 -8.047 1062 2HZ LYS 132 2HZ LYS 132 0.537 -2.205 -9.517 1063 3HZ LYS 132 3HZ LYS 132 1.136 -3.458 -8.557 1064 H VAL 133 H VAL 133 -1.235 0.937 -3.253 1065 HA VAL 133 HA VAL 133 -3.848 1.020 -2.025 1066 HB VAL 133 HB VAL 133 -2.052 2.820 -2.575 1067 1HG1 VAL 133 1HG1 VAL 133 -4.147 3.138 -4.842 1068 2HG1 VAL 133 2HG1 VAL 133 -2.528 2.501 -5.052 1069 3HG1 VAL 133 3HG1 VAL 133 -2.775 4.196 -4.546 1070 1HG2 VAL 133 1HG2 VAL 133 -3.643 4.385 -1.752 1071 2HG2 VAL 133 2HG2 VAL 133 -4.366 2.847 -1.273 1072 3HG2 VAL 133 3HG2 VAL 133 -5.004 3.703 -2.683 1073 H HIS 134 H HIS 134 -2.723 0.586 -5.441 1074 HA HIS 134 HA HIS 134 -5.365 0.809 -6.602 1075 1HB HIS 134 1HB HIS 134 -3.684 1.263 -8.067 1076 2HB HIS 134 2HB HIS 134 -2.673 -0.069 -7.451 1077 HD1 HIS 134 HD1 HIS 134 -2.363 -1.349 -9.658 1078 HD2 HIS 134 HD2 HIS 134 -6.373 -0.513 -8.775 1079 HE1 HIS 134 HE1 HIS 134 -3.705 -2.663 -11.394 1080 HE2 HIS 134 HE2 HIS 134 -6.156 -2.130 -10.817 Start of MODEL 4 1 1H PRO 1 1H PRO 1 -2.690 -10.341 -10.633 2 2H PRO 1 2H PRO 1 -3.494 -11.399 -11.651 3 HA PRO 1 HA PRO 1 -2.256 -10.823 -13.382 4 1HB PRO 1 1HB PRO 1 -1.844 -7.931 -12.704 5 2HB PRO 1 2HB PRO 1 -2.354 -8.704 -14.257 6 1HG PRO 1 1HG PRO 1 -4.044 -7.571 -12.312 7 2HG PRO 1 2HG PRO 1 -4.549 -8.524 -13.680 8 1HD PRO 1 1HD PRO 1 -4.870 -9.335 -10.956 9 2HD PRO 1 2HD PRO 1 -5.078 -10.346 -12.395 10 H VAL 2 H VAL 2 -0.063 -10.065 -13.973 11 HA VAL 2 HA VAL 2 1.800 -10.342 -11.667 12 HB VAL 2 HB VAL 2 3.463 -10.952 -13.497 13 1HG1 VAL 2 1HG1 VAL 2 3.238 -13.054 -12.530 14 2HG1 VAL 2 2HG1 VAL 2 1.670 -13.277 -13.330 15 3HG1 VAL 2 3HG1 VAL 2 1.731 -12.384 -11.812 16 1HG2 VAL 2 1HG2 VAL 2 1.605 -10.433 -15.410 17 2HG2 VAL 2 2HG2 VAL 2 1.056 -12.054 -14.998 18 3HG2 VAL 2 3HG2 VAL 2 2.721 -11.822 -15.573 19 H ASP 3 H ASP 3 0.422 -7.924 -13.015 20 HA ASP 3 HA ASP 3 2.546 -6.382 -14.308 21 1HB ASP 3 1HB ASP 3 -0.110 -6.265 -14.260 22 2HB ASP 3 2HB ASP 3 0.229 -5.038 -12.981 23 H PHE 4 H PHE 4 3.796 -4.814 -13.533 24 HA PHE 4 HA PHE 4 4.335 -4.886 -10.621 25 1HB PHE 4 1HB PHE 4 5.974 -4.054 -12.977 26 2HB PHE 4 2HB PHE 4 6.361 -3.487 -11.352 27 HD1 PHE 4 HD1 PHE 4 6.730 -5.287 -9.532 28 HD2 PHE 4 HD2 PHE 4 6.451 -6.317 -13.715 29 HE1 PHE 4 HE1 PHE 4 7.781 -7.409 -9.065 30 HE2 PHE 4 HE2 PHE 4 7.529 -8.480 -13.196 31 HZ PHE 4 HZ PHE 4 8.200 -9.030 -10.870 32 H ASN 5 H ASN 5 3.230 -2.529 -13.051 33 HA ASN 5 HA ASN 5 3.854 -0.108 -11.717 34 1HB ASN 5 1HB ASN 5 2.251 0.967 -13.063 35 2HB ASN 5 2HB ASN 5 3.355 -0.065 -13.993 36 1HD2 ASN 5 1HD2 ASN 5 0.982 0.696 -15.191 37 2HD2 ASN 5 2HD2 ASN 5 -0.115 -0.656 -15.303 38 H GLY 6 H GLY 6 2.805 1.241 -10.306 39 1HA GLY 6 1HA GLY 6 0.019 0.996 -9.670 40 2HA GLY 6 2HA GLY 6 0.926 0.207 -8.438 41 H TYR 7 H TYR 7 0.940 1.340 -6.743 42 HA TYR 7 HA TYR 7 2.144 3.982 -6.604 43 1HB TYR 7 1HB TYR 7 -0.850 3.730 -6.647 44 2HB TYR 7 2HB TYR 7 -0.266 4.413 -5.125 45 HD1 TYR 7 HD1 TYR 7 0.592 6.637 -4.987 46 HD2 TYR 7 HD2 TYR 7 -0.322 4.890 -8.816 47 HE1 TYR 7 HE1 TYR 7 0.792 8.817 -6.048 48 HE2 TYR 7 HE2 TYR 7 -0.130 7.069 -9.873 49 HH TYR 7 HH TYR 7 -0.099 9.989 -8.112 50 H TRP 8 H TRP 8 3.606 3.117 -5.061 51 HA TRP 8 HA TRP 8 2.491 1.494 -2.862 52 1HB TRP 8 1HB TRP 8 5.313 2.493 -3.182 53 2HB TRP 8 2HB TRP 8 4.724 1.165 -2.175 54 HD1 TRP 8 HD1 TRP 8 7.149 0.662 -4.236 55 HE1 TRP 8 HE1 TRP 8 6.898 -0.940 -6.199 56 HE3 TRP 8 HE3 TRP 8 1.961 0.486 -4.709 57 HZ2 TRP 8 HZ2 TRP 8 4.968 -2.135 -7.758 58 HZ3 TRP 8 HZ3 TRP 8 1.064 -0.944 -6.492 59 HH2 TRP 8 HH2 TRP 8 2.519 -2.257 -8.020 60 H LYS 9 H LYS 9 2.302 2.319 -0.698 61 HA LYS 9 HA LYS 9 3.216 5.192 -0.480 62 1HB LYS 9 1HB LYS 9 1.279 5.551 1.091 63 2HB LYS 9 2HB LYS 9 0.808 5.288 -0.572 64 1HG LYS 9 1HG LYS 9 -0.250 3.265 -0.104 65 2HG LYS 9 2HG LYS 9 0.934 2.808 1.132 66 1HD LYS 9 1HD LYS 9 -0.827 5.150 1.793 67 2HD LYS 9 2HD LYS 9 -1.529 3.502 1.764 68 1HE LYS 9 1HE LYS 9 0.524 2.850 3.202 69 2HE LYS 9 2HE LYS 9 0.719 4.578 3.566 70 1HZ LYS 9 1HZ LYS 9 -1.796 3.030 3.983 71 2HZ LYS 9 2HZ LYS 9 -1.456 4.575 4.549 72 3HZ LYS 9 3HZ LYS 9 -0.604 3.259 5.184 73 H MET 10 H MET 10 4.065 2.276 0.394 74 HA MET 10 HA MET 10 5.392 1.497 2.000 75 1HB MET 10 1HB MET 10 6.242 3.790 1.619 76 2HB MET 10 2HB MET 10 5.721 4.154 3.263 77 1HG MET 10 1HG MET 10 7.310 1.640 2.626 78 2HG MET 10 2HG MET 10 8.121 3.201 2.868 79 1HE MET 10 1HE MET 10 9.478 2.639 4.359 80 2HE MET 10 2HE MET 10 9.277 1.576 5.792 81 3HE MET 10 3HE MET 10 9.081 3.341 5.974 82 H LEU 11 H LEU 11 5.080 0.361 3.916 83 HA LEU 11 HA LEU 11 2.998 1.391 5.814 84 1HB LEU 11 1HB LEU 11 2.746 -0.883 4.447 85 2HB LEU 11 2HB LEU 11 3.937 -1.521 5.453 86 HG LEU 11 HG LEU 11 2.623 -1.498 7.425 87 1HD1 LEU 11 1HD1 LEU 11 0.287 -0.306 7.354 88 2HD1 LEU 11 2HD1 LEU 11 0.990 0.627 6.021 89 3HD1 LEU 11 3HD1 LEU 11 1.710 0.724 7.625 90 1HD2 LEU 11 1HD2 LEU 11 0.563 -2.654 6.736 91 2HD2 LEU 11 2HD2 LEU 11 1.832 -3.046 5.535 92 3HD2 LEU 11 3HD2 LEU 11 0.570 -1.888 5.115 93 H SER 12 H SER 12 5.979 -0.677 5.653 94 HA SER 12 HA SER 12 6.954 0.837 8.006 95 1HB SER 12 1HB SER 12 6.866 -0.660 9.566 96 2HB SER 12 2HB SER 12 5.383 -1.141 8.659 97 HG SER 12 HG SER 12 6.682 -2.729 7.696 98 H ASN 13 H ASN 13 9.041 -0.382 8.865 99 HA ASN 13 HA ASN 13 10.766 -1.620 6.812 100 1HB ASN 13 1HB ASN 13 12.468 0.112 6.999 101 2HB ASN 13 2HB ASN 13 10.937 0.749 6.326 102 1HD2 ASN 13 1HD2 ASN 13 9.660 2.238 7.544 103 2HD2 ASN 13 2HD2 ASN 13 10.238 2.970 9.043 104 H GLU 14 H GLU 14 12.866 -2.270 8.066 105 HA GLU 14 HA GLU 14 12.671 -2.078 11.009 106 1HB GLU 14 1HB GLU 14 12.767 -4.659 11.071 107 2HB GLU 14 2HB GLU 14 11.253 -3.797 11.061 108 1HG GLU 14 1HG GLU 14 10.744 -4.359 8.872 109 2HG GLU 14 2HG GLU 14 12.418 -4.447 8.373 110 H ASN 15 H ASN 15 14.690 -1.663 8.592 111 HA ASN 15 HA ASN 15 16.995 -2.549 10.183 112 1HB ASN 15 1HB ASN 15 15.951 -4.289 8.277 113 2HB ASN 15 2HB ASN 15 17.523 -3.660 7.675 114 1HD2 ASN 15 1HD2 ASN 15 15.902 -5.051 10.601 115 2HD2 ASN 15 2HD2 ASN 15 17.309 -5.824 11.256 116 H PHE 16 H PHE 16 15.806 -0.066 8.839 117 HA PHE 16 HA PHE 16 17.342 0.750 6.605 118 1HB PHE 16 1HB PHE 16 15.158 1.717 7.644 119 2HB PHE 16 2HB PHE 16 16.215 2.659 8.682 120 HD1 PHE 16 HD1 PHE 16 16.555 1.633 5.038 121 HD2 PHE 16 HD2 PHE 16 16.098 4.903 7.849 122 HE1 PHE 16 HE1 PHE 16 16.789 3.198 3.200 123 HE2 PHE 16 HE2 PHE 16 16.332 6.463 6.022 124 HZ PHE 16 HZ PHE 16 16.681 5.684 3.679 125 H GLU 17 H GLU 17 17.803 1.591 10.135 126 HA GLU 17 HA GLU 17 20.164 3.158 9.684 127 1HB GLU 17 1HB GLU 17 18.592 3.336 11.545 128 2HB GLU 17 2HB GLU 17 19.275 1.819 12.185 129 1HG GLU 17 1HG GLU 17 21.220 3.939 11.374 130 2HG GLU 17 2HG GLU 17 20.252 4.352 12.752 131 H GLU 18 H GLU 18 19.671 -0.319 10.438 132 HA GLU 18 HA GLU 18 22.489 -0.811 11.034 133 1HB GLU 18 1HB GLU 18 20.276 -2.053 11.787 134 2HB GLU 18 2HB GLU 18 20.616 -2.939 10.240 135 1HG GLU 18 1HG GLU 18 21.788 -4.281 11.750 136 2HG GLU 18 2HG GLU 18 23.030 -3.172 11.199 137 H TYR 19 H TYR 19 20.403 -0.588 8.218 138 HA TYR 19 HA TYR 19 22.061 -2.219 6.475 139 1HB TYR 19 1HB TYR 19 19.799 -2.158 6.034 140 2HB TYR 19 2HB TYR 19 19.704 -0.403 6.259 141 HD1 TYR 19 HD1 TYR 19 22.247 -2.101 4.178 142 HD2 TYR 19 HD2 TYR 19 18.577 0.170 4.143 143 HE1 TYR 19 HE1 TYR 19 22.474 -1.740 1.689 144 HE2 TYR 19 HE2 TYR 19 18.781 0.489 1.754 145 HH TYR 19 HH TYR 19 21.162 -1.142 -0.208 146 H LEU 20 H LEU 20 21.787 1.298 7.423 147 HA LEU 20 HA LEU 20 23.515 2.180 5.268 148 1HB LEU 20 1HB LEU 20 22.768 3.610 7.802 149 2HB LEU 20 2HB LEU 20 23.610 4.314 6.490 150 HG LEU 20 HG LEU 20 20.801 3.255 6.279 151 1HD1 LEU 20 1HD1 LEU 20 21.521 6.213 6.223 152 2HD1 LEU 20 2HD1 LEU 20 21.360 5.380 7.813 153 3HD1 LEU 20 3HD1 LEU 20 20.000 5.457 6.681 154 1HD2 LEU 20 1HD2 LEU 20 20.745 4.286 4.038 155 2HD2 LEU 20 2HD2 LEU 20 22.394 3.638 4.080 156 3HD2 LEU 20 3HD2 LEU 20 22.130 5.326 4.460 157 H ARG 21 H ARG 21 23.999 1.068 8.568 158 HA ARG 21 HA ARG 21 26.727 2.058 8.987 159 1HB ARG 21 1HB ARG 21 25.369 1.415 10.887 160 2HB ARG 21 2HB ARG 21 24.955 -0.112 10.130 161 1HG ARG 21 1HG ARG 21 27.142 -1.090 10.523 162 2HG ARG 21 2HG ARG 21 27.852 0.500 10.903 163 1HD ARG 21 1HD ARG 21 25.628 -0.021 12.682 164 2HD ARG 21 2HD ARG 21 26.717 -1.421 12.657 165 HE ARG 21 HE ARG 21 28.086 1.168 13.000 166 1HH1 ARG 21 1HH1 ARG 21 26.413 -1.560 14.533 167 2HH1 ARG 21 2HH1 ARG 21 27.216 -1.299 16.063 168 1HH2 ARG 21 1HH2 ARG 21 29.092 1.449 15.040 169 2HH2 ARG 21 2HH2 ARG 21 28.736 0.416 16.397 170 H ALA 22 H ALA 22 25.321 -0.740 7.337 171 HA ALA 22 HA ALA 22 27.667 -2.367 7.310 172 1HB ALA 22 1HB ALA 22 25.764 -2.716 5.099 173 2HB ALA 22 2HB ALA 22 24.931 -2.602 6.676 174 3HB ALA 22 3HB ALA 22 26.221 -3.855 6.411 175 H LEU 23 H LEU 23 26.109 -0.101 4.896 176 HA LEU 23 HA LEU 23 28.219 -0.474 2.928 177 1HB LEU 23 1HB LEU 23 26.421 1.851 3.055 178 2HB LEU 23 2HB LEU 23 27.212 1.141 1.703 179 HG LEU 23 HG LEU 23 25.091 -0.501 3.211 180 1HD1 LEU 23 1HD1 LEU 23 23.708 1.240 2.933 181 2HD1 LEU 23 2HD1 LEU 23 23.604 0.557 1.279 182 3HD1 LEU 23 3HD1 LEU 23 24.615 1.988 1.617 183 1HD2 LEU 23 1HD2 LEU 23 24.641 -1.204 0.732 184 2HD2 LEU 23 2HD2 LEU 23 26.153 -1.794 1.431 185 3HD2 LEU 23 3HD2 LEU 23 26.171 -0.374 0.358 186 H ASP 24 H ASP 24 27.960 1.390 5.858 187 HA ASP 24 HA ASP 24 29.524 2.791 6.900 188 1HB ASP 24 1HB ASP 24 31.334 2.524 4.531 189 2HB ASP 24 2HB ASP 24 31.668 3.084 6.171 190 H VAL 25 H VAL 25 27.435 3.840 4.895 191 HA VAL 25 HA VAL 25 28.588 6.013 3.461 192 HB VAL 25 HB VAL 25 26.170 6.998 3.596 193 1HG1 VAL 25 1HG1 VAL 25 26.476 4.147 2.607 194 2HG1 VAL 25 2HG1 VAL 25 26.854 5.612 1.684 195 3HG1 VAL 25 3HG1 VAL 25 25.167 5.242 2.106 196 1HG2 VAL 25 1HG2 VAL 25 26.039 4.966 5.698 197 2HG2 VAL 25 2HG2 VAL 25 24.901 4.491 4.417 198 3HG2 VAL 25 3HG2 VAL 25 24.784 6.081 5.148 199 H ASN 26 H ASN 26 27.651 8.356 4.058 200 HA ASN 26 HA ASN 26 29.230 9.354 6.212 201 1HB ASN 26 1HB ASN 26 26.979 10.850 5.069 202 2HB ASN 26 2HB ASN 26 28.437 11.363 5.920 203 1HD2 ASN 26 1HD2 ASN 26 29.906 12.210 4.542 204 2HD2 ASN 26 2HD2 ASN 26 30.156 11.719 2.886 205 H VAL 27 H VAL 27 28.738 10.242 8.209 206 HA VAL 27 HA VAL 27 26.683 8.952 9.801 207 HB VAL 27 HB VAL 27 28.755 9.559 10.760 208 1HG1 VAL 27 1HG1 VAL 27 29.572 11.817 10.972 209 2HG1 VAL 27 2HG1 VAL 27 27.950 12.500 10.974 210 3HG1 VAL 27 3HG1 VAL 27 28.673 11.936 9.443 211 1HG2 VAL 27 1HG2 VAL 27 26.815 11.351 12.220 212 2HG2 VAL 27 2HG2 VAL 27 27.723 9.927 12.801 213 3HG2 VAL 27 3HG2 VAL 27 26.238 9.706 11.867 214 H ALA 28 H ALA 28 26.921 12.045 8.225 215 HA ALA 28 HA ALA 28 24.702 13.407 9.524 216 1HB ALA 28 1HB ALA 28 26.095 14.015 6.956 217 2HB ALA 28 2HB ALA 28 26.611 14.587 8.600 218 3HB ALA 28 3HB ALA 28 25.055 15.099 7.922 219 H LEU 29 H LEU 29 25.207 11.151 6.868 220 HA LEU 29 HA LEU 29 22.708 11.606 5.433 221 1HB LEU 29 1HB LEU 29 24.908 10.626 4.570 222 2HB LEU 29 2HB LEU 29 24.443 9.125 5.303 223 HG LEU 29 HG LEU 29 23.889 9.268 2.898 224 1HD1 LEU 29 1HD1 LEU 29 21.262 8.942 4.403 225 2HD1 LEU 29 2HD1 LEU 29 22.626 7.894 4.769 226 3HD1 LEU 29 3HD1 LEU 29 21.969 7.953 3.129 227 1HD2 LEU 29 1HD2 LEU 29 22.273 10.709 1.971 228 2HD2 LEU 29 2HD2 LEU 29 22.851 11.807 3.224 229 3HD2 LEU 29 3HD2 LEU 29 21.395 10.866 3.515 230 H ARG 30 H ARG 30 24.015 9.197 7.666 231 HA ARG 30 HA ARG 30 21.691 7.523 7.977 232 1HB ARG 30 1HB ARG 30 23.830 6.687 8.470 233 2HB ARG 30 2HB ARG 30 24.212 7.978 9.582 234 1HG ARG 30 1HG ARG 30 21.728 6.338 10.123 235 2HG ARG 30 2HG ARG 30 23.253 5.470 10.250 236 1HD ARG 30 1HD ARG 30 23.582 7.926 11.705 237 2HD ARG 30 2HD ARG 30 22.016 7.255 12.133 238 HE ARG 30 HE ARG 30 24.127 5.231 12.141 239 1HH1 ARG 30 1HH1 ARG 30 22.416 7.660 14.020 240 2HH1 ARG 30 2HH1 ARG 30 22.747 6.959 15.550 241 1HH2 ARG 30 1HH2 ARG 30 24.652 4.241 14.184 242 2HH2 ARG 30 2HH2 ARG 30 24.053 5.006 15.599 243 H LYS 31 H LYS 31 22.616 10.547 9.400 244 HA LYS 31 HA LYS 31 20.963 10.400 11.763 245 1HB LYS 31 1HB LYS 31 22.668 11.916 11.967 246 2HB LYS 31 2HB LYS 31 22.634 12.340 10.280 247 1HG LYS 31 1HG LYS 31 21.058 14.029 10.638 248 2HG LYS 31 2HG LYS 31 20.227 13.130 11.958 249 1HD LYS 31 1HD LYS 31 21.211 14.678 13.256 250 2HD LYS 31 2HD LYS 31 22.540 13.521 13.243 251 1HE LYS 31 1HE LYS 31 22.938 15.220 10.930 252 2HE LYS 31 2HE LYS 31 22.487 16.255 12.355 253 1HZ LYS 31 1HZ LYS 31 24.259 14.385 13.279 254 2HZ LYS 31 2HZ LYS 31 24.513 16.047 13.017 255 3HZ LYS 31 3HZ LYS 31 24.920 14.897 11.839 256 H ILE 32 H ILE 32 20.647 11.926 8.529 257 HA ILE 32 HA ILE 32 18.099 13.173 9.029 258 HB ILE 32 HB ILE 32 19.452 12.311 6.445 259 1HG1 ILE 32 1HG1 ILE 32 20.473 13.972 8.263 260 2HG1 ILE 32 2HG1 ILE 32 20.814 14.180 6.583 261 1HG2 ILE 32 1HG2 ILE 32 17.397 14.603 6.609 262 2HG2 ILE 32 2HG2 ILE 32 16.863 12.954 6.432 263 3HG2 ILE 32 3HG2 ILE 32 17.904 13.683 5.178 264 1HD1 ILE 32 1HD1 ILE 32 20.214 16.282 7.789 265 2HD1 ILE 32 2HD1 ILE 32 18.565 15.691 8.089 266 3HD1 ILE 32 3HD1 ILE 32 19.100 15.970 6.429 267 H ALA 33 H ALA 33 19.070 10.377 7.099 268 HA ALA 33 HA ALA 33 16.700 9.305 6.102 269 1HB ALA 33 1HB ALA 33 18.319 7.153 7.042 270 2HB ALA 33 2HB ALA 33 19.364 8.475 6.372 271 3HB ALA 33 3HB ALA 33 18.002 7.754 5.414 272 H ASN 34 H ASN 34 17.728 9.133 9.516 273 HA ASN 34 HA ASN 34 15.747 6.998 10.139 274 1HB ASN 34 1HB ASN 34 17.930 7.108 11.212 275 2HB ASN 34 2HB ASN 34 17.385 8.631 12.001 276 1HD2 ASN 34 1HD2 ASN 34 16.246 5.263 11.389 277 2HD2 ASN 34 2HD2 ASN 34 15.548 4.949 12.941 278 H LEU 35 H LEU 35 15.494 10.331 9.587 279 HA LEU 35 HA LEU 35 13.350 10.715 11.612 280 1HB LEU 35 1HB LEU 35 15.028 12.612 10.043 281 2HB LEU 35 2HB LEU 35 13.516 13.106 10.870 282 HG LEU 35 HG LEU 35 15.631 11.544 12.314 283 1HD1 LEU 35 1HD1 LEU 35 16.301 13.830 11.036 284 2HD1 LEU 35 2HD1 LEU 35 17.061 13.298 12.538 285 3HD1 LEU 35 3HD1 LEU 35 15.748 14.517 12.599 286 1HD2 LEU 35 1HD2 LEU 35 13.530 11.851 13.595 287 2HD2 LEU 35 2HD2 LEU 35 13.391 13.540 13.016 288 3HD2 LEU 35 3HD2 LEU 35 14.578 13.071 14.267 289 H LEU 36 H LEU 36 14.046 10.176 8.257 290 HA LEU 36 HA LEU 36 11.160 10.755 7.613 291 1HB LEU 36 1HB LEU 36 11.643 11.817 5.644 292 2HB LEU 36 2HB LEU 36 12.786 12.421 6.659 293 HG LEU 36 HG LEU 36 13.987 10.099 5.441 294 1HD1 LEU 36 1HD1 LEU 36 12.564 12.052 3.554 295 2HD1 LEU 36 2HD1 LEU 36 12.554 10.260 3.527 296 3HD1 LEU 36 3HD1 LEU 36 13.974 11.150 3.013 297 1HD2 LEU 36 1HD2 LEU 36 15.769 11.693 5.116 298 2HD2 LEU 36 2HD2 LEU 36 14.901 12.380 6.476 299 3HD2 LEU 36 3HD2 LEU 36 14.681 13.032 4.820 300 H LYS 37 H LYS 37 10.513 9.599 5.356 301 HA LYS 37 HA LYS 37 12.041 7.123 4.905 302 1HB LYS 37 1HB LYS 37 10.088 5.680 5.186 303 2HB LYS 37 2HB LYS 37 10.622 6.316 6.727 304 1HG LYS 37 1HG LYS 37 8.761 8.266 6.043 305 2HG LYS 37 2HG LYS 37 8.064 6.918 5.168 306 1HD LYS 37 1HD LYS 37 7.045 6.903 7.321 307 2HD LYS 37 2HD LYS 37 8.178 5.537 7.353 308 1HE LYS 37 1HE LYS 37 9.819 7.046 8.606 309 2HE LYS 37 2HE LYS 37 8.549 8.325 8.648 310 1HZ LYS 37 1HZ LYS 37 8.456 5.655 9.879 311 2HZ LYS 37 2HZ LYS 37 7.073 6.595 9.695 312 3HZ LYS 37 3HZ LYS 37 8.333 7.173 10.639 313 HA PRO 38 HA PRO 38 10.129 8.320 1.016 314 1HB PRO 38 1HB PRO 38 11.282 5.954 -0.243 315 2HB PRO 38 2HB PRO 38 11.963 7.580 -0.047 316 1HG PRO 38 1HG PRO 38 12.974 5.291 1.154 317 2HG PRO 38 2HG PRO 38 13.138 6.928 1.893 318 1HD PRO 38 1HD PRO 38 10.795 4.929 2.291 319 2HD PRO 38 2HD PRO 38 11.890 5.621 3.570 320 H ASP 39 H ASP 39 8.862 7.714 -0.811 321 HA ASP 39 HA ASP 39 6.902 5.490 -0.318 322 1HB ASP 39 1HB ASP 39 6.453 7.766 -2.277 323 2HB ASP 39 2HB ASP 39 5.275 6.741 -1.418 324 H LYS 40 H LYS 40 5.953 5.117 -2.825 325 HA LYS 40 HA LYS 40 8.177 5.126 -4.757 326 1HB LYS 40 1HB LYS 40 8.725 3.265 -3.153 327 2HB LYS 40 2HB LYS 40 7.239 2.486 -3.722 328 1HG LYS 40 1HG LYS 40 8.923 1.517 -5.059 329 2HG LYS 40 2HG LYS 40 8.450 2.858 -6.155 330 1HD LYS 40 1HD LYS 40 10.684 3.078 -6.172 331 2HD LYS 40 2HD LYS 40 10.304 4.120 -4.763 332 1HE LYS 40 1HE LYS 40 10.928 1.163 -4.322 333 2HE LYS 40 2HE LYS 40 12.267 2.288 -4.638 334 1HZ LYS 40 1HZ LYS 40 11.040 3.603 -2.703 335 2HZ LYS 40 2HZ LYS 40 12.187 2.419 -2.454 336 3HZ LYS 40 3HZ LYS 40 10.541 2.008 -2.346 337 H GLU 41 H GLU 41 7.500 4.868 -6.777 338 HA GLU 41 HA GLU 41 4.676 4.031 -7.333 339 1HB GLU 41 1HB GLU 41 5.446 6.623 -7.330 340 2HB GLU 41 2HB GLU 41 6.019 6.199 -8.960 341 1HG GLU 41 1HG GLU 41 3.559 5.306 -9.351 342 2HG GLU 41 2HG GLU 41 3.200 6.020 -7.831 343 H ILE 42 H ILE 42 4.689 2.599 -9.096 344 HA ILE 42 HA ILE 42 7.300 2.271 -10.537 345 HB ILE 42 HB ILE 42 5.295 0.131 -9.773 346 1HG1 ILE 42 1HG1 ILE 42 7.421 1.165 -8.296 347 2HG1 ILE 42 2HG1 ILE 42 6.498 -0.303 -7.988 348 1HG2 ILE 42 1HG2 ILE 42 6.193 -0.465 -12.019 349 2HG2 ILE 42 2HG2 ILE 42 7.210 -1.329 -10.864 350 3HG2 ILE 42 3HG2 ILE 42 7.800 0.171 -11.607 351 1HD1 ILE 42 1HD1 ILE 42 9.030 -0.530 -8.026 352 2HD1 ILE 42 2HD1 ILE 42 8.968 -0.220 -9.765 353 3HD1 ILE 42 3HD1 ILE 42 8.181 -1.690 -9.093 354 H VAL 43 H VAL 43 7.193 2.070 -12.766 355 HA VAL 43 HA VAL 43 4.455 1.975 -13.958 356 HB VAL 43 HB VAL 43 6.521 4.173 -14.344 357 1HG1 VAL 43 1HG1 VAL 43 5.007 2.838 -16.506 358 2HG1 VAL 43 2HG1 VAL 43 6.407 3.938 -16.619 359 3HG1 VAL 43 3HG1 VAL 43 4.733 4.559 -16.471 360 1HG2 VAL 43 1HG2 VAL 43 4.664 4.858 -12.918 361 2HG2 VAL 43 2HG2 VAL 43 3.501 3.994 -13.928 362 3HG2 VAL 43 3HG2 VAL 43 4.229 5.516 -14.498 363 H GLN 44 H GLN 44 4.391 0.688 -15.725 364 HA GLN 44 HA GLN 44 7.049 -0.234 -16.795 365 1HB GLN 44 1HB GLN 44 5.146 -1.755 -15.352 366 2HB GLN 44 2HB GLN 44 4.992 -2.212 -17.060 367 1HG GLN 44 1HG GLN 44 7.702 -2.382 -16.867 368 2HG GLN 44 2HG GLN 44 7.322 -2.649 -15.170 369 1HE2 GLN 44 1HE2 GLN 44 6.213 -3.580 -18.430 370 2HE2 GLN 44 2HE2 GLN 44 5.922 -5.255 -18.087 371 H ASP 45 H ASP 45 7.218 0.509 -18.831 372 HA ASP 45 HA ASP 45 4.770 1.077 -20.379 373 1HB ASP 45 1HB ASP 45 6.946 2.439 -20.389 374 2HB ASP 45 2HB ASP 45 7.682 1.147 -21.386 375 H GLY 46 H GLY 46 6.945 -1.588 -19.789 376 1HA GLY 46 1HA GLY 46 5.757 -3.663 -20.726 377 2HA GLY 46 2HA GLY 46 6.244 -2.950 -22.351 378 H ASP 47 H ASP 47 8.280 -3.401 -23.129 379 HA ASP 47 HA ASP 47 10.039 -5.153 -21.575 380 1HB ASP 47 1HB ASP 47 10.546 -3.589 -24.083 381 2HB ASP 47 2HB ASP 47 11.580 -4.880 -23.369 382 H HIS 48 H HIS 48 9.438 -1.728 -21.667 383 HA HIS 48 HA HIS 48 12.146 -1.148 -20.446 384 1HB HIS 48 1HB HIS 48 10.087 0.705 -21.710 385 2HB HIS 48 2HB HIS 48 11.539 1.198 -20.776 386 HD1 HIS 48 HD1 HIS 48 10.469 1.229 -24.009 387 HD2 HIS 48 HD2 HIS 48 13.905 -0.589 -22.335 388 HE1 HIS 48 HE1 HIS 48 12.058 0.900 -25.924 389 HE2 HIS 48 HE2 HIS 48 14.135 -0.190 -24.894 390 H MET 49 H MET 49 12.165 -0.215 -18.422 391 HA MET 49 HA MET 49 9.552 0.136 -17.085 392 1HB MET 49 1HB MET 49 10.791 -2.102 -16.744 393 2HB MET 49 2HB MET 49 11.965 -1.173 -15.842 394 1HG MET 49 1HG MET 49 10.112 -0.285 -14.363 395 2HG MET 49 2HG MET 49 8.963 -1.321 -15.270 396 1HE MET 49 1HE MET 49 9.686 -2.136 -11.620 397 2HE MET 49 2HE MET 49 8.576 -3.347 -12.332 398 3HE MET 49 3HE MET 49 8.503 -1.593 -12.805 399 H ILE 50 H ILE 50 9.658 1.551 -15.271 400 HA ILE 50 HA ILE 50 12.137 3.216 -15.000 401 HB ILE 50 HB ILE 50 9.325 4.329 -15.437 402 1HG1 ILE 50 1HG1 ILE 50 10.614 5.506 -17.373 403 2HG1 ILE 50 2HG1 ILE 50 11.756 4.149 -17.189 404 1HG2 ILE 50 1HG2 ILE 50 10.377 5.930 -14.031 405 2HG2 ILE 50 2HG2 ILE 50 11.140 6.469 -15.556 406 3HG2 ILE 50 3HG2 ILE 50 12.020 5.394 -14.496 407 1HD1 ILE 50 1HD1 ILE 50 9.333 2.768 -17.292 408 2HD1 ILE 50 2HD1 ILE 50 10.276 3.227 -18.743 409 3HD1 ILE 50 3HD1 ILE 50 8.930 4.234 -18.228 410 H ILE 51 H ILE 51 12.510 3.584 -12.918 411 HA ILE 51 HA ILE 51 10.206 3.153 -10.989 412 HB ILE 51 HB ILE 51 13.053 2.841 -10.034 413 1HG1 ILE 51 1HG1 ILE 51 12.644 1.369 -12.131 414 2HG1 ILE 51 2HG1 ILE 51 13.362 0.674 -10.741 415 1HG2 ILE 51 1HG2 ILE 51 10.228 1.870 -9.244 416 2HG2 ILE 51 2HG2 ILE 51 11.415 2.809 -8.275 417 3HG2 ILE 51 3HG2 ILE 51 11.675 1.097 -8.576 418 1HD1 ILE 51 1HD1 ILE 51 10.990 -0.170 -10.020 419 2HD1 ILE 51 2HD1 ILE 51 11.744 -0.919 -11.410 420 3HD1 ILE 51 3HD1 ILE 51 10.446 0.288 -11.652 421 H ARG 52 H ARG 52 9.661 4.850 -9.881 422 HA ARG 52 HA ARG 52 11.671 7.096 -9.509 423 1HB ARG 52 1HB ARG 52 9.492 8.480 -9.201 424 2HB ARG 52 2HB ARG 52 10.177 8.203 -10.794 425 1HG ARG 52 1HG ARG 52 8.547 6.518 -11.348 426 2HG ARG 52 2HG ARG 52 7.902 6.509 -9.681 427 1HD ARG 52 1HD ARG 52 6.414 7.879 -11.006 428 2HD ARG 52 2HD ARG 52 7.354 9.007 -10.002 429 HE ARG 52 HE ARG 52 8.493 8.388 -12.649 430 1HH1 ARG 52 1HH1 ARG 52 6.527 10.621 -10.695 431 2HH1 ARG 52 2HH1 ARG 52 6.750 11.915 -11.839 432 1HH2 ARG 52 1HH2 ARG 52 8.750 10.042 -14.048 433 2HH2 ARG 52 2HH2 ARG 52 7.995 11.597 -13.701 434 H THR 53 H THR 53 12.226 7.583 -7.513 435 HA THR 53 HA THR 53 10.529 6.601 -5.241 436 HB THR 53 HB THR 53 13.518 6.594 -5.676 437 HG1 THR 53 HG1 THR 53 12.085 4.914 -6.426 438 1HG2 THR 53 1HG2 THR 53 13.827 6.418 -3.296 439 2HG2 THR 53 2HG2 THR 53 12.549 5.216 -3.201 440 3HG2 THR 53 3HG2 THR 53 12.121 6.947 -3.146 441 H LEU 54 H LEU 54 9.636 8.312 -4.448 442 HA LEU 54 HA LEU 54 11.112 10.920 -4.428 443 1HB LEU 54 1HB LEU 54 8.225 10.429 -4.618 444 2HB LEU 54 2HB LEU 54 8.973 11.984 -4.319 445 HG LEU 54 HG LEU 54 8.442 11.827 -6.629 446 1HD1 LEU 54 1HD1 LEU 54 11.394 11.416 -7.039 447 2HD1 LEU 54 2HD1 LEU 54 10.964 12.439 -5.696 448 3HD1 LEU 54 3HD1 LEU 54 10.392 12.847 -7.347 449 1HD2 LEU 54 1HD2 LEU 54 8.958 9.066 -6.367 450 2HD2 LEU 54 2HD2 LEU 54 10.307 9.595 -7.373 451 3HD2 LEU 54 3HD2 LEU 54 8.638 9.916 -7.910 452 H SER 55 H SER 55 11.249 12.123 -2.691 453 HA SER 55 HA SER 55 9.455 11.954 -0.416 454 1HB SER 55 1HB SER 55 11.732 11.386 1.077 455 2HB SER 55 2HB SER 55 10.596 10.146 0.505 456 HG SER 55 HG SER 55 13.024 10.936 -0.591 457 H THR 56 H THR 56 10.609 13.872 -2.345 458 HA THR 56 HA THR 56 11.491 15.961 -2.422 459 HB THR 56 HB THR 56 10.440 16.064 0.419 460 HG1 THR 56 HG1 THR 56 9.106 15.296 -1.530 461 1HG2 THR 56 1HG2 THR 56 11.696 18.053 -1.327 462 2HG2 THR 56 2HG2 THR 56 10.952 18.394 0.232 463 3HG2 THR 56 3HG2 THR 56 9.954 18.436 -1.257 464 H PHE 57 H PHE 57 13.634 14.173 -1.814 465 HA PHE 57 HA PHE 57 15.369 15.951 -0.323 466 1HB PHE 57 1HB PHE 57 14.670 14.762 1.651 467 2HB PHE 57 2HB PHE 57 14.495 13.240 0.740 468 HD1 PHE 57 HD1 PHE 57 15.850 11.703 1.842 469 HD2 PHE 57 HD2 PHE 57 17.483 15.589 0.856 470 HE1 PHE 57 HE1 PHE 57 18.117 10.973 2.524 471 HE2 PHE 57 HE2 PHE 57 19.707 14.831 1.533 472 HZ PHE 57 HZ PHE 57 20.100 12.552 2.372 473 H ARG 58 H ARG 58 15.146 12.454 -0.989 474 HA ARG 58 HA ARG 58 17.455 12.699 -2.854 475 1HB ARG 58 1HB ARG 58 16.964 11.095 -0.579 476 2HB ARG 58 2HB ARG 58 16.756 10.022 -1.977 477 1HG ARG 58 1HG ARG 58 19.223 11.677 -1.291 478 2HG ARG 58 2HG ARG 58 19.086 9.907 -1.315 479 1HD ARG 58 1HD ARG 58 19.926 10.089 -3.445 480 2HD ARG 58 2HD ARG 58 18.256 10.402 -3.890 481 HE ARG 58 HE ARG 58 19.669 12.822 -3.152 482 1HH1 ARG 58 1HH1 ARG 58 19.032 10.456 -5.677 483 2HH1 ARG 58 2HH1 ARG 58 19.385 11.532 -6.983 484 1HH2 ARG 58 1HH2 ARG 58 20.123 14.236 -4.813 485 2HH2 ARG 58 2HH2 ARG 58 20.015 13.820 -6.481 486 H ASN 59 H ASN 59 16.805 12.426 -5.031 487 HA ASN 59 HA ASN 59 14.302 10.933 -5.514 488 1HB ASN 59 1HB ASN 59 14.877 11.905 -7.989 489 2HB ASN 59 2HB ASN 59 13.942 12.779 -6.800 490 1HD2 ASN 59 1HD2 ASN 59 17.290 12.444 -8.199 491 2HD2 ASN 59 2HD2 ASN 59 17.780 14.038 -7.691 492 H TYR 60 H TYR 60 14.763 8.890 -5.661 493 HA TYR 60 HA TYR 60 17.138 7.843 -7.040 494 1HB TYR 60 1HB TYR 60 15.357 6.837 -4.996 495 2HB TYR 60 2HB TYR 60 15.353 5.731 -6.411 496 HD1 TYR 60 HD1 TYR 60 18.156 7.888 -5.252 497 HD2 TYR 60 HD2 TYR 60 16.653 3.907 -5.739 498 HE1 TYR 60 HE1 TYR 60 20.365 7.018 -4.649 499 HE2 TYR 60 HE2 TYR 60 18.875 2.985 -5.141 500 HH TYR 60 HH TYR 60 21.201 4.838 -3.678 501 H ILE 61 H ILE 61 16.977 7.920 -9.215 502 HA ILE 61 HA ILE 61 14.427 6.901 -10.465 503 HB ILE 61 HB ILE 61 16.018 9.110 -11.679 504 1HG1 ILE 61 1HG1 ILE 61 13.317 9.588 -10.264 505 2HG1 ILE 61 2HG1 ILE 61 14.750 9.569 -9.325 506 1HG2 ILE 61 1HG2 ILE 61 13.501 7.499 -12.322 507 2HG2 ILE 61 2HG2 ILE 61 14.745 8.147 -13.402 508 3HG2 ILE 61 3HG2 ILE 61 13.494 9.221 -12.742 509 1HD1 ILE 61 1HD1 ILE 61 13.884 11.902 -10.384 510 2HD1 ILE 61 2HD1 ILE 61 14.670 11.327 -11.840 511 3HD1 ILE 61 3HD1 ILE 61 15.631 11.549 -10.366 512 H MET 62 H MET 62 14.665 5.657 -12.155 513 HA MET 62 HA MET 62 17.298 5.407 -13.511 514 1HB MET 62 1HB MET 62 15.782 3.255 -11.976 515 2HB MET 62 2HB MET 62 16.908 2.814 -13.242 516 1HG MET 62 1HG MET 62 17.746 4.526 -10.799 517 2HG MET 62 2HG MET 62 17.733 2.746 -10.807 518 1HE MET 62 1HE MET 62 21.048 5.388 -11.790 519 2HE MET 62 2HE MET 62 19.455 5.649 -10.964 520 3HE MET 62 3HE MET 62 19.650 6.032 -12.694 521 H ASP 63 H ASP 63 16.838 3.586 -15.261 522 HA ASP 63 HA ASP 63 14.044 3.584 -16.269 523 1HB ASP 63 1HB ASP 63 16.626 4.646 -17.532 524 2HB ASP 63 2HB ASP 63 15.369 3.961 -18.592 525 H PHE 64 H PHE 64 14.603 1.498 -15.083 526 HA PHE 64 HA PHE 64 16.650 -0.280 -16.165 527 1HB PHE 64 1HB PHE 64 14.168 -0.555 -14.522 528 2HB PHE 64 2HB PHE 64 14.991 -2.001 -15.083 529 HD1 PHE 64 HD1 PHE 64 15.218 -2.559 -12.665 530 HD2 PHE 64 HD2 PHE 64 17.164 0.870 -14.338 531 HE1 PHE 64 HE1 PHE 64 16.711 -2.479 -10.670 532 HE2 PHE 64 HE2 PHE 64 18.705 0.973 -12.336 533 HZ PHE 64 HZ PHE 64 18.449 -0.682 -10.551 534 H GLN 65 H GLN 65 16.590 -1.955 -17.507 535 HA GLN 65 HA GLN 65 14.171 -2.337 -19.210 536 1HB GLN 65 1HB GLN 65 17.133 -2.824 -19.847 537 2HB GLN 65 2HB GLN 65 15.832 -3.230 -20.931 538 1HG GLN 65 1HG GLN 65 15.271 -0.550 -20.634 539 2HG GLN 65 2HG GLN 65 17.038 -0.541 -20.339 540 1HE2 GLN 65 1HE2 GLN 65 16.167 0.787 -22.580 541 2HE2 GLN 65 2HE2 GLN 65 16.615 -0.112 -23.999 542 H VAL 66 H VAL 66 13.262 -4.295 -18.896 543 HA VAL 66 HA VAL 66 14.353 -6.294 -17.124 544 HB VAL 66 HB VAL 66 12.111 -6.247 -19.148 545 1HG1 VAL 66 1HG1 VAL 66 12.082 -8.529 -19.023 546 2HG1 VAL 66 2HG1 VAL 66 11.595 -8.346 -17.314 547 3HG1 VAL 66 3HG1 VAL 66 13.291 -8.586 -17.743 548 1HG2 VAL 66 1HG2 VAL 66 12.351 -5.053 -16.641 549 2HG2 VAL 66 2HG2 VAL 66 11.684 -6.659 -16.194 550 3HG2 VAL 66 3HG2 VAL 66 10.778 -5.614 -17.309 551 H GLY 67 H GLY 67 16.202 -7.070 -17.624 552 1HA GLY 67 1HA GLY 67 17.401 -8.965 -18.557 553 2HA GLY 67 2HA GLY 67 16.344 -8.926 -19.913 554 H LYS 68 H LYS 68 18.771 -6.844 -18.263 555 HA LYS 68 HA LYS 68 20.415 -6.483 -20.655 556 1HB LYS 68 1HB LYS 68 18.986 -4.990 -21.494 557 2HB LYS 68 2HB LYS 68 18.315 -4.588 -19.931 558 1HG LYS 68 1HG LYS 68 19.832 -2.752 -19.690 559 2HG LYS 68 2HG LYS 68 21.183 -3.675 -20.380 560 1HD LYS 68 1HD LYS 68 20.757 -3.062 -22.471 561 2HD LYS 68 2HD LYS 68 18.982 -3.071 -22.234 562 1HE LYS 68 1HE LYS 68 18.994 -0.770 -21.607 563 2HE LYS 68 2HE LYS 68 20.492 -1.018 -20.660 564 1HZ LYS 68 1HZ LYS 68 21.797 -0.546 -22.352 565 2HZ LYS 68 2HZ LYS 68 20.435 0.359 -22.863 566 3HZ LYS 68 3HZ LYS 68 20.761 -1.152 -23.554 567 H GLU 69 H GLU 69 22.451 -5.979 -20.180 568 HA GLU 69 HA GLU 69 22.993 -5.464 -17.323 569 1HB GLU 69 1HB GLU 69 24.403 -7.015 -18.740 570 2HB GLU 69 2HB GLU 69 25.000 -5.611 -19.635 571 1HG GLU 69 1HG GLU 69 25.280 -5.496 -16.643 572 2HG GLU 69 2HG GLU 69 26.374 -6.548 -17.522 573 H PHE 70 H PHE 70 23.671 -3.526 -16.401 574 HA PHE 70 HA PHE 70 24.619 -1.336 -18.138 575 1HB PHE 70 1HB PHE 70 22.887 0.274 -17.649 576 2HB PHE 70 2HB PHE 70 22.308 -1.045 -18.629 577 HD1 PHE 70 HD1 PHE 70 21.920 0.601 -15.347 578 HD2 PHE 70 HD2 PHE 70 20.767 -2.781 -17.747 579 HE1 PHE 70 HE1 PHE 70 20.007 0.115 -13.853 580 HE2 PHE 70 HE2 PHE 70 18.868 -3.246 -16.264 581 HZ PHE 70 HZ PHE 70 18.482 -1.801 -14.305 582 H GLU 71 H GLU 71 26.064 -0.228 -17.061 583 HA GLU 71 HA GLU 71 26.737 -0.867 -14.309 584 1HB GLU 71 1HB GLU 71 28.257 0.987 -14.485 585 2HB GLU 71 2HB GLU 71 28.353 -0.130 -15.860 586 1HG GLU 71 1HG GLU 71 27.602 1.481 -17.415 587 2HG GLU 71 2HG GLU 71 26.403 2.078 -16.283 588 H GLU 72 H GLU 72 26.686 0.365 -12.492 589 HA GLU 72 HA GLU 72 24.374 2.270 -12.278 590 1HB GLU 72 1HB GLU 72 24.026 -0.001 -11.384 591 2HB GLU 72 2HB GLU 72 25.395 0.283 -10.292 592 1HG GLU 72 1HG GLU 72 23.284 0.745 -9.149 593 2HG GLU 72 2HG GLU 72 24.141 2.274 -9.321 594 H ASP 73 H ASP 73 26.356 3.782 -12.813 595 HA ASP 73 HA ASP 73 28.328 4.307 -10.800 596 1HB ASP 73 1HB ASP 73 28.515 6.551 -11.943 597 2HB ASP 73 2HB ASP 73 28.868 5.130 -12.949 598 H LEU 74 H LEU 74 26.724 4.118 -9.089 599 HA LEU 74 HA LEU 74 24.680 6.087 -8.553 600 1HB LEU 74 1HB LEU 74 24.953 3.639 -7.919 601 2HB LEU 74 2HB LEU 74 25.952 4.218 -6.623 602 HG LEU 74 HG LEU 74 23.529 5.845 -6.820 603 1HD1 LEU 74 1HD1 LEU 74 22.574 3.258 -5.798 604 2HD1 LEU 74 2HD1 LEU 74 22.979 3.116 -7.497 605 3HD1 LEU 74 3HD1 LEU 74 21.828 4.359 -7.006 606 1HD2 LEU 74 1HD2 LEU 74 24.581 3.944 -4.623 607 2HD2 LEU 74 2HD2 LEU 74 23.455 5.256 -4.352 608 3HD2 LEU 74 3HD2 LEU 74 25.097 5.637 -4.851 609 H THR 75 H THR 75 24.822 7.967 -7.341 610 HA THR 75 HA THR 75 27.107 8.442 -5.532 611 HB THR 75 HB THR 75 27.522 10.727 -6.516 612 HG1 THR 75 HG1 THR 75 26.601 10.119 -9.005 613 1HG2 THR 75 1HG2 THR 75 29.199 9.949 -8.048 614 2HG2 THR 75 2HG2 THR 75 28.047 8.883 -8.879 615 3HG2 THR 75 3HG2 THR 75 28.781 8.397 -7.320 616 H GLY 76 H GLY 76 24.640 7.875 -4.883 617 1HA GLY 76 1HA GLY 76 23.409 10.536 -4.128 618 2HA GLY 76 2HA GLY 76 22.392 9.166 -4.592 619 H ILE 77 H ILE 77 23.135 7.017 -3.320 620 HA ILE 77 HA ILE 77 23.039 7.893 -0.434 621 HB ILE 77 HB ILE 77 21.812 5.522 -1.837 622 1HG1 ILE 77 1HG1 ILE 77 20.452 7.485 0.008 623 2HG1 ILE 77 2HG1 ILE 77 20.660 7.855 -1.673 624 1HG2 ILE 77 1HG2 ILE 77 20.930 5.185 0.779 625 2HG2 ILE 77 2HG2 ILE 77 22.483 5.938 1.096 626 3HG2 ILE 77 3HG2 ILE 77 22.413 4.397 0.198 627 1HD1 ILE 77 1HD1 ILE 77 18.521 6.816 -1.710 628 2HD1 ILE 77 2HD1 ILE 77 18.989 5.613 -0.455 629 3HD1 ILE 77 3HD1 ILE 77 19.522 5.442 -2.125 630 H ASP 78 H ASP 78 23.573 4.613 -1.669 631 HA ASP 78 HA ASP 78 25.938 4.419 0.035 632 1HB ASP 78 1HB ASP 78 25.954 2.208 -0.281 633 2HB ASP 78 2HB ASP 78 24.250 2.613 -0.240 634 H ASP 79 H ASP 79 25.701 5.740 -2.981 635 HA ASP 79 HA ASP 79 27.168 6.072 -4.777 636 1HB ASP 79 1HB ASP 79 29.344 6.614 -4.237 637 2HB ASP 79 2HB ASP 79 28.205 7.192 -3.002 638 H ARG 80 H ARG 80 29.864 5.028 -5.145 639 HA ARG 80 HA ARG 80 31.053 3.164 -5.866 640 1HB ARG 80 1HB ARG 80 29.684 2.123 -3.737 641 2HB ARG 80 2HB ARG 80 29.113 1.088 -5.030 642 1HG ARG 80 1HG ARG 80 31.356 0.340 -5.532 643 2HG ARG 80 2HG ARG 80 32.065 1.697 -4.676 644 1HD ARG 80 1HD ARG 80 30.362 0.271 -2.784 645 2HD ARG 80 2HD ARG 80 31.531 -0.831 -3.570 646 HE ARG 80 HE ARG 80 32.151 1.676 -2.127 647 1HH1 ARG 80 1HH1 ARG 80 33.314 -1.453 -3.397 648 2HH1 ARG 80 2HH1 ARG 80 34.856 -1.318 -2.612 649 1HH2 ARG 80 1HH2 ARG 80 34.272 1.773 -1.103 650 2HH2 ARG 80 2HH2 ARG 80 35.367 0.438 -1.348 651 H LYS 81 H LYS 81 31.177 2.458 -7.827 652 HA LYS 81 HA LYS 81 28.717 2.400 -9.515 653 1HB LYS 81 1HB LYS 81 30.603 3.492 -10.619 654 2HB LYS 81 2HB LYS 81 31.713 2.227 -10.105 655 1HG LYS 81 1HG LYS 81 30.744 0.659 -11.713 656 2HG LYS 81 2HG LYS 81 29.405 1.775 -12.076 657 1HD LYS 81 1HD LYS 81 30.999 2.007 -13.873 658 2HD LYS 81 2HD LYS 81 31.147 3.447 -12.846 659 1HE LYS 81 1HE LYS 81 32.982 1.060 -12.300 660 2HE LYS 81 2HE LYS 81 33.343 2.053 -13.723 661 1HZ LYS 81 1HZ LYS 81 33.036 3.904 -11.822 662 2HZ LYS 81 2HZ LYS 81 34.520 3.236 -12.314 663 3HZ LYS 81 3HZ LYS 81 33.757 2.614 -10.964 664 H CYS 82 H CYS 82 27.662 0.604 -9.857 665 HA CYS 82 HA CYS 82 29.191 -1.985 -9.393 666 1HB CYS 82 1HB CYS 82 26.285 -2.224 -9.151 667 2HB CYS 82 2HB CYS 82 27.505 -2.843 -8.099 668 HG CYS 82 HG CYS 82 26.130 -1.531 -6.479 669 H MET 83 H MET 83 27.979 -3.817 -10.418 670 HA MET 83 HA MET 83 27.069 -2.919 -13.141 671 1HB MET 83 1HB MET 83 29.180 -4.714 -12.384 672 2HB MET 83 2HB MET 83 27.881 -5.734 -13.014 673 1HG MET 83 1HG MET 83 28.319 -3.467 -14.817 674 2HG MET 83 2HG MET 83 29.860 -4.229 -14.499 675 1HE MET 83 1HE MET 83 29.598 -7.915 -15.839 676 2HE MET 83 2HE MET 83 29.224 -7.470 -14.158 677 3HE MET 83 3HE MET 83 30.605 -6.698 -14.969 678 H THR 84 H THR 84 24.986 -3.486 -13.403 679 HA THR 84 HA THR 84 23.789 -5.492 -11.501 680 HB THR 84 HB THR 84 22.929 -2.795 -12.310 681 HG1 THR 84 HG1 THR 84 22.698 -3.286 -9.777 682 1HG2 THR 84 1HG2 THR 84 20.952 -3.631 -10.510 683 2HG2 THR 84 2HG2 THR 84 21.328 -5.181 -11.305 684 3HG2 THR 84 3HG2 THR 84 20.746 -3.766 -12.238 685 H THR 85 H THR 85 22.443 -6.892 -12.266 686 HA THR 85 HA THR 85 21.563 -6.648 -15.102 687 HB THR 85 HB THR 85 22.178 -9.384 -13.853 688 HG1 THR 85 HG1 THR 85 24.162 -9.195 -14.852 689 1HG2 THR 85 1HG2 THR 85 22.272 -10.083 -16.253 690 2HG2 THR 85 2HG2 THR 85 22.138 -8.419 -16.804 691 3HG2 THR 85 3HG2 THR 85 20.763 -9.179 -16.038 692 H VAL 86 H VAL 86 19.479 -6.117 -14.837 693 HA VAL 86 HA VAL 86 17.967 -7.405 -12.703 694 HB VAL 86 HB VAL 86 16.195 -5.947 -13.226 695 1HG1 VAL 86 1HG1 VAL 86 18.092 -4.005 -14.548 696 2HG1 VAL 86 2HG1 VAL 86 18.779 -4.856 -13.183 697 3HG1 VAL 86 3HG1 VAL 86 17.287 -3.874 -12.989 698 1HG2 VAL 86 1HG2 VAL 86 15.686 -6.513 -15.507 699 2HG2 VAL 86 2HG2 VAL 86 17.212 -5.926 -16.146 700 3HG2 VAL 86 3HG2 VAL 86 15.948 -4.792 -15.582 701 H SER 87 H SER 87 16.537 -9.131 -13.110 702 HA SER 87 HA SER 87 16.338 -10.029 -15.944 703 1HB SER 87 1HB SER 87 18.310 -11.159 -14.838 704 2HB SER 87 2HB SER 87 17.187 -11.939 -13.695 705 HG SER 87 HG SER 87 16.737 -13.303 -15.112 706 H TRP 88 H TRP 88 14.834 -11.952 -16.102 707 HA TRP 88 HA TRP 88 12.544 -11.564 -14.222 708 1HB TRP 88 1HB TRP 88 12.429 -11.667 -16.900 709 2HB TRP 88 2HB TRP 88 12.591 -13.398 -16.634 710 HD1 TRP 88 HD1 TRP 88 10.633 -11.961 -13.787 711 HE1 TRP 88 HE1 TRP 88 8.159 -12.368 -14.093 712 HE3 TRP 88 HE3 TRP 88 10.725 -13.436 -18.753 713 HZ2 TRP 88 HZ2 TRP 88 6.363 -13.255 -16.278 714 HZ3 TRP 88 HZ3 TRP 88 8.617 -14.027 -19.846 715 HH2 TRP 88 HH2 TRP 88 6.430 -13.916 -18.563 716 H ASP 89 H ASP 89 12.138 -13.159 -12.713 717 HA ASP 89 HA ASP 89 13.161 -15.932 -13.127 718 1HB ASP 89 1HB ASP 89 14.139 -13.877 -11.209 719 2HB ASP 89 2HB ASP 89 13.352 -15.203 -10.323 720 H GLY 90 H GLY 90 11.217 -16.565 -13.535 721 1HA GLY 90 1HA GLY 90 8.980 -17.085 -13.343 722 2HA GLY 90 2HA GLY 90 9.337 -17.178 -11.532 723 H ASP 91 H ASP 91 7.850 -16.015 -10.548 724 HA ASP 91 HA ASP 91 6.809 -13.559 -11.813 725 1HB ASP 91 1HB ASP 91 6.051 -14.570 -9.085 726 2HB ASP 91 2HB ASP 91 5.134 -13.490 -10.195 727 H LYS 92 H LYS 92 9.694 -13.752 -10.674 728 HA LYS 92 HA LYS 92 9.441 -11.548 -8.646 729 1HB LYS 92 1HB LYS 92 10.915 -14.050 -8.721 730 2HB LYS 92 2HB LYS 92 12.055 -12.731 -8.673 731 1HG LYS 92 1HG LYS 92 11.511 -12.080 -6.548 732 2HG LYS 92 2HG LYS 92 9.785 -12.385 -6.747 733 1HD LYS 92 1HD LYS 92 10.641 -14.020 -5.173 734 2HD LYS 92 2HD LYS 92 10.397 -14.931 -6.695 735 1HE LYS 92 1HE LYS 92 13.067 -13.642 -6.423 736 2HE LYS 92 2HE LYS 92 12.700 -14.972 -5.266 737 1HZ LYS 92 1HZ LYS 92 12.244 -15.366 -8.141 738 2HZ LYS 92 2HZ LYS 92 12.485 -16.479 -6.930 739 3HZ LYS 92 3HZ LYS 92 13.793 -15.576 -7.456 740 H LEU 93 H LEU 93 11.335 -10.163 -8.637 741 HA LEU 93 HA LEU 93 12.568 -9.744 -11.350 742 1HB LEU 93 1HB LEU 93 10.662 -8.062 -10.264 743 2HB LEU 93 2HB LEU 93 12.031 -7.434 -9.439 744 HG LEU 93 HG LEU 93 12.818 -7.564 -12.165 745 1HD1 LEU 93 1HD1 LEU 93 10.824 -5.752 -12.801 746 2HD1 LEU 93 2HD1 LEU 93 9.876 -6.872 -11.851 747 3HD1 LEU 93 3HD1 LEU 93 10.744 -7.435 -13.305 748 1HD2 LEU 93 1HD2 LEU 93 12.908 -5.055 -11.858 749 2HD2 LEU 93 2HD2 LEU 93 13.408 -5.839 -10.332 750 3HD2 LEU 93 3HD2 LEU 93 11.795 -5.120 -10.495 751 H GLN 94 H GLN 94 14.570 -10.686 -10.829 752 HA GLN 94 HA GLN 94 15.793 -10.263 -8.193 753 1HB GLN 94 1HB GLN 94 16.634 -11.699 -10.728 754 2HB GLN 94 2HB GLN 94 17.628 -11.609 -9.279 755 1HG GLN 94 1HG GLN 94 14.737 -12.562 -9.062 756 2HG GLN 94 2HG GLN 94 15.974 -13.679 -9.643 757 1HE2 GLN 94 1HE2 GLN 94 16.009 -15.087 -7.925 758 2HE2 GLN 94 2HE2 GLN 94 16.482 -14.620 -6.304 759 H CYS 95 H CYS 95 17.466 -8.990 -7.709 760 HA CYS 95 HA CYS 95 18.871 -7.554 -9.908 761 1HB CYS 95 1HB CYS 95 17.395 -5.867 -9.228 762 2HB CYS 95 2HB CYS 95 17.580 -6.314 -7.491 763 HG CYS 95 HG CYS 95 18.739 -3.965 -8.796 764 H VAL 96 H VAL 96 20.927 -7.827 -9.660 765 HA VAL 96 HA VAL 96 22.131 -8.148 -6.934 766 HB VAL 96 HB VAL 96 22.551 -9.938 -9.347 767 1HG1 VAL 96 1HG1 VAL 96 24.498 -10.888 -8.488 768 2HG1 VAL 96 2HG1 VAL 96 24.352 -10.113 -6.921 769 3HG1 VAL 96 3HG1 VAL 96 24.801 -9.145 -8.361 770 1HG2 VAL 96 1HG2 VAL 96 20.831 -10.849 -7.907 771 2HG2 VAL 96 2HG2 VAL 96 21.559 -10.214 -6.450 772 3HG2 VAL 96 3HG2 VAL 96 22.294 -11.640 -7.252 773 H GLN 97 H GLN 97 23.505 -6.534 -6.654 774 HA GLN 97 HA GLN 97 24.636 -5.180 -9.050 775 1HB GLN 97 1HB GLN 97 25.187 -4.549 -6.165 776 2HB GLN 97 2HB GLN 97 25.281 -3.474 -7.552 777 1HG GLN 97 1HG GLN 97 22.775 -3.566 -7.791 778 2HG GLN 97 2HG GLN 97 22.657 -4.687 -6.427 779 1HE2 GLN 97 1HE2 GLN 97 23.974 -1.490 -7.306 780 2HE2 GLN 97 2HE2 GLN 97 23.549 -0.645 -5.850 781 H LYS 98 H LYS 98 26.804 -5.226 -9.521 782 HA LYS 98 HA LYS 98 28.448 -7.495 -8.488 783 1HB LYS 98 1HB LYS 98 28.315 -5.815 -10.864 784 2HB LYS 98 2HB LYS 98 29.940 -6.199 -10.359 785 1HG LYS 98 1HG LYS 98 29.490 -7.940 -11.768 786 2HG LYS 98 2HG LYS 98 29.181 -8.654 -10.155 787 1HD LYS 98 1HD LYS 98 26.689 -7.902 -10.484 788 2HD LYS 98 2HD LYS 98 27.148 -7.696 -12.182 789 1HE LYS 98 1HE LYS 98 27.032 -9.902 -12.622 790 2HE LYS 98 2HE LYS 98 28.080 -10.311 -11.246 791 1HZ LYS 98 1HZ LYS 98 25.270 -9.511 -10.694 792 2HZ LYS 98 2HZ LYS 98 26.265 -10.599 -9.892 793 3HZ LYS 98 3HZ LYS 98 25.573 -11.040 -11.363 794 H GLY 99 H GLY 99 27.902 -4.746 -6.923 795 1HA GLY 99 1HA GLY 99 30.647 -3.707 -6.813 796 2HA GLY 99 2HA GLY 99 29.315 -3.270 -5.700 797 H GLU 100 H GLU 100 31.444 -3.450 -4.328 798 HA GLU 100 HA GLU 100 32.341 -6.058 -3.557 799 1HB GLU 100 1HB GLU 100 33.484 -3.875 -3.518 800 2HB GLU 100 2HB GLU 100 32.610 -3.572 -1.987 801 1HG GLU 100 1HG GLU 100 33.681 -5.245 -0.816 802 2HG GLU 100 2HG GLU 100 34.099 -6.151 -2.276 803 H LYS 101 H LYS 101 32.258 -6.849 -1.378 804 HA LYS 101 HA LYS 101 31.259 -7.420 0.688 805 1HB LYS 101 1HB LYS 101 28.893 -5.741 0.068 806 2HB LYS 101 2HB LYS 101 29.509 -6.389 1.627 807 1HG LYS 101 1HG LYS 101 31.399 -4.732 1.538 808 2HG LYS 101 2HG LYS 101 30.826 -4.203 -0.062 809 1HD LYS 101 1HD LYS 101 28.895 -3.159 0.909 810 2HD LYS 101 2HD LYS 101 28.867 -4.286 2.235 811 1HE LYS 101 1HE LYS 101 31.274 -2.462 1.927 812 2HE LYS 101 2HE LYS 101 29.758 -1.805 2.675 813 1HZ LYS 101 1HZ LYS 101 30.500 -2.776 4.523 814 2HZ LYS 101 2HZ LYS 101 31.730 -3.611 3.703 815 3HZ LYS 101 3HZ LYS 101 30.187 -4.286 3.785 816 H GLU 102 H GLU 102 29.003 -8.343 1.419 817 HA GLU 102 HA GLU 102 28.064 -10.232 -0.709 818 1HB GLU 102 1HB GLU 102 27.728 -10.405 2.282 819 2HB GLU 102 2HB GLU 102 27.528 -11.667 1.059 820 1HG GLU 102 1HG GLU 102 30.061 -11.131 0.517 821 2HG GLU 102 2HG GLU 102 30.069 -10.545 2.183 822 H GLY 103 H GLY 103 25.925 -10.114 -1.353 823 1HA GLY 103 1HA GLY 103 23.572 -10.010 -0.616 824 2HA GLY 103 2HA GLY 103 24.011 -8.871 0.561 825 H ARG 104 H ARG 104 25.674 -7.385 -1.630 826 HA ARG 104 HA ARG 104 24.141 -5.218 -2.158 827 1HB ARG 104 1HB ARG 104 26.169 -6.452 -4.027 828 2HB ARG 104 2HB ARG 104 25.390 -4.842 -4.206 829 1HG ARG 104 1HG ARG 104 26.226 -4.361 -1.793 830 2HG ARG 104 2HG ARG 104 27.402 -5.679 -2.110 831 1HD ARG 104 1HD ARG 104 28.398 -4.489 -3.860 832 2HD ARG 104 2HD ARG 104 26.943 -3.602 -4.229 833 HE ARG 104 HE ARG 104 28.561 -3.056 -1.787 834 1HH1 ARG 104 1HH1 ARG 104 26.721 -1.764 -4.645 835 2HH1 ARG 104 2HH1 ARG 104 27.026 -0.170 -4.097 836 1HH2 ARG 104 1HH2 ARG 104 28.832 -0.770 -1.281 837 2HH2 ARG 104 2HH2 ARG 104 28.140 0.391 -2.329 838 H GLY 105 H GLY 105 22.223 -4.996 -2.990 839 1HA GLY 105 1HA GLY 105 21.042 -5.002 -5.201 840 2HA GLY 105 2HA GLY 105 21.425 -6.763 -5.312 841 H TRP 106 H TRP 106 18.763 -6.110 -5.451 842 HA TRP 106 HA TRP 106 17.745 -6.793 -2.727 843 1HB TRP 106 1HB TRP 106 15.718 -5.479 -4.180 844 2HB TRP 106 2HB TRP 106 16.383 -5.145 -2.592 845 HD1 TRP 106 HD1 TRP 106 19.057 -3.795 -3.026 846 HE1 TRP 106 HE1 TRP 106 19.378 -1.627 -4.394 847 HE3 TRP 106 HE3 TRP 106 14.765 -3.952 -5.909 848 HZ2 TRP 106 HZ2 TRP 106 18.021 -0.186 -6.387 849 HZ3 TRP 106 HZ3 TRP 106 14.361 -2.135 -7.500 850 HH2 TRP 106 HH2 TRP 106 16.021 -0.223 -7.738 851 H THR 107 H THR 107 15.370 -7.579 -3.006 852 HA THR 107 HA THR 107 15.058 -9.240 -5.481 853 HB THR 107 HB THR 107 14.582 -10.162 -2.626 854 HG1 THR 107 HG1 THR 107 16.534 -10.848 -4.556 855 1HG2 THR 107 1HG2 THR 107 14.078 -11.268 -5.441 856 2HG2 THR 107 2HG2 THR 107 13.020 -11.453 -4.049 857 3HG2 THR 107 3HG2 THR 107 14.510 -12.433 -4.145 858 H GLN 108 H GLN 108 13.111 -9.072 -6.242 859 HA GLN 108 HA GLN 108 11.077 -7.591 -4.590 860 1HB GLN 108 1HB GLN 108 12.353 -6.602 -6.705 861 2HB GLN 108 2HB GLN 108 11.181 -7.511 -7.616 862 1HG GLN 108 1HG GLN 108 10.887 -5.024 -6.133 863 2HG GLN 108 2HG GLN 108 9.923 -5.631 -7.486 864 1HE2 GLN 108 1HE2 GLN 108 8.074 -7.127 -6.995 865 2HE2 GLN 108 2HE2 GLN 108 7.411 -7.208 -5.403 866 H TRP 109 H TRP 109 9.227 -8.723 -4.225 867 HA TRP 109 HA TRP 109 8.293 -10.649 -6.284 868 1HB TRP 109 1HB TRP 109 8.430 -12.525 -5.090 869 2HB TRP 109 2HB TRP 109 9.638 -11.631 -4.154 870 HD1 TRP 109 HD1 TRP 109 5.703 -11.379 -3.702 871 HE1 TRP 109 HE1 TRP 109 5.124 -11.973 -1.300 872 HE3 TRP 109 HE3 TRP 109 10.399 -12.620 -2.036 873 HZ2 TRP 109 HZ2 TRP 109 6.440 -12.852 1.071 874 HZ3 TRP 109 HZ3 TRP 109 10.649 -13.341 0.320 875 HH2 TRP 109 HH2 TRP 109 8.635 -13.443 1.839 876 H ILE 110 H ILE 110 6.053 -10.830 -6.326 877 HA ILE 110 HA ILE 110 4.752 -8.622 -4.753 878 HB ILE 110 HB ILE 110 4.304 -9.719 -7.477 879 1HG1 ILE 110 1HG1 ILE 110 3.965 -6.856 -6.551 880 2HG1 ILE 110 2HG1 ILE 110 5.546 -7.543 -6.416 881 1HG2 ILE 110 1HG2 ILE 110 2.064 -9.979 -6.410 882 2HG2 ILE 110 2HG2 ILE 110 2.068 -8.592 -7.544 883 3HG2 ILE 110 3HG2 ILE 110 2.125 -8.303 -5.808 884 1HD1 ILE 110 1HD1 ILE 110 3.863 -7.627 -9.010 885 2HD1 ILE 110 2HD1 ILE 110 5.586 -8.034 -8.875 886 3HD1 ILE 110 3HD1 ILE 110 5.021 -6.351 -8.658 887 H GLU 111 H GLU 111 3.114 -8.785 -3.540 888 HA GLU 111 HA GLU 111 1.952 -11.469 -2.894 889 1HB GLU 111 1HB GLU 111 3.120 -10.123 -1.077 890 2HB GLU 111 2HB GLU 111 2.001 -8.815 -1.364 891 1HG GLU 111 1HG GLU 111 0.164 -10.046 -0.425 892 2HG GLU 111 2HG GLU 111 0.975 -11.584 -0.589 893 H GLY 112 H GLY 112 -0.335 -11.283 -2.321 894 1HA GLY 112 1HA GLY 112 -2.013 -10.702 -4.375 895 2HA GLY 112 2HA GLY 112 -2.548 -10.691 -2.630 896 H ASP 113 H ASP 113 -2.089 -8.519 -1.470 897 HA ASP 113 HA ASP 113 -2.458 -6.253 -3.405 898 1HB ASP 113 1HB ASP 113 -4.575 -6.816 -2.285 899 2HB ASP 113 2HB ASP 113 -3.837 -6.499 -0.700 900 H GLU 114 H GLU 114 0.093 -7.177 -2.302 901 HA GLU 114 HA GLU 114 0.915 -4.636 -0.988 902 1HB GLU 114 1HB GLU 114 1.933 -7.217 0.204 903 2HB GLU 114 2HB GLU 114 2.119 -5.610 0.805 904 1HG GLU 114 1HG GLU 114 -0.467 -5.514 1.161 905 2HG GLU 114 2HG GLU 114 -0.515 -7.216 0.763 906 H LEU 115 H LEU 115 3.222 -4.511 -0.855 907 HA LEU 115 HA LEU 115 4.706 -5.955 -2.998 908 1HB LEU 115 1HB LEU 115 4.113 -3.230 -2.938 909 2HB LEU 115 2HB LEU 115 5.540 -3.207 -1.983 910 HG LEU 115 HG LEU 115 6.283 -2.750 -4.143 911 1HD1 LEU 115 1HD1 LEU 115 7.334 -4.935 -3.035 912 2HD1 LEU 115 2HD1 LEU 115 7.765 -4.479 -4.720 913 3HD1 LEU 115 3HD1 LEU 115 6.565 -5.742 -4.436 914 1HD2 LEU 115 1HD2 LEU 115 4.678 -5.175 -5.140 915 2HD2 LEU 115 2HD2 LEU 115 5.376 -3.867 -6.146 916 3HD2 LEU 115 3HD2 LEU 115 3.920 -3.595 -5.123 917 H HIS 116 H HIS 116 6.370 -7.180 -1.974 918 HA HIS 116 HA HIS 116 7.255 -6.244 0.729 919 1HB HIS 116 1HB HIS 116 6.311 -8.866 -0.299 920 2HB HIS 116 2HB HIS 116 7.884 -8.914 0.505 921 HD1 HIS 116 HD1 HIS 116 6.783 -10.188 2.456 922 HD2 HIS 116 HD2 HIS 116 5.299 -6.314 1.932 923 HE1 HIS 116 HE1 HIS 116 5.473 -9.623 4.615 924 HE2 HIS 116 HE2 HIS 116 4.585 -7.263 4.269 925 H LEU 117 H LEU 117 8.919 -5.026 -0.094 926 HA LEU 117 HA LEU 117 10.873 -6.229 -1.984 927 1HB LEU 117 1HB LEU 117 10.221 -3.829 -2.073 928 2HB LEU 117 2HB LEU 117 10.655 -3.614 -0.459 929 HG LEU 117 HG LEU 117 13.077 -3.953 -0.905 930 1HD1 LEU 117 1HD1 LEU 117 12.063 -5.066 -3.362 931 2HD1 LEU 117 2HD1 LEU 117 13.689 -5.208 -2.625 932 3HD1 LEU 117 3HD1 LEU 117 13.289 -3.822 -3.691 933 1HD2 LEU 117 1HD2 LEU 117 13.440 -1.967 -2.460 934 2HD2 LEU 117 2HD2 LEU 117 12.312 -1.638 -1.107 935 3HD2 LEU 117 3HD2 LEU 117 11.695 -1.865 -2.752 936 H GLU 118 H GLU 118 13.023 -6.632 -1.467 937 HA GLU 118 HA GLU 118 13.711 -6.642 1.444 938 1HB GLU 118 1HB GLU 118 12.878 -8.890 0.959 939 2HB GLU 118 2HB GLU 118 13.992 -8.988 -0.431 940 1HG GLU 118 1HG GLU 118 15.821 -8.488 1.413 941 2HG GLU 118 2HG GLU 118 14.600 -8.958 2.565 942 H MET 119 H MET 119 15.396 -5.152 1.286 943 HA MET 119 HA MET 119 17.451 -5.428 -0.903 944 1HB MET 119 1HB MET 119 17.582 -3.385 1.285 945 2HB MET 119 2HB MET 119 18.015 -3.243 -0.430 946 1HG MET 119 1HG MET 119 15.528 -3.130 -0.997 947 2HG MET 119 2HG MET 119 15.148 -3.253 0.725 948 1HE MET 119 1HE MET 119 17.648 0.131 -1.085 949 2HE MET 119 2HE MET 119 17.336 -1.475 -1.865 950 3HE MET 119 3HE MET 119 18.400 -1.388 -0.445 951 H ARG 120 H ARG 120 19.724 -5.578 -0.353 952 HA ARG 120 HA ARG 120 20.272 -6.325 2.457 953 1HB ARG 120 1HB ARG 120 19.677 -8.313 0.947 954 2HB ARG 120 2HB ARG 120 21.259 -8.079 0.255 955 1HG ARG 120 1HG ARG 120 22.151 -9.288 1.930 956 2HG ARG 120 2HG ARG 120 21.697 -8.072 3.106 957 1HD ARG 120 1HD ARG 120 19.444 -9.058 3.344 958 2HD ARG 120 2HD ARG 120 19.804 -10.325 2.158 959 HE ARG 120 HE ARG 120 20.887 -10.081 4.871 960 1HH1 ARG 120 1HH1 ARG 120 20.967 -11.919 1.869 961 2HH1 ARG 120 2HH1 ARG 120 21.745 -13.298 2.618 962 1HH2 ARG 120 1HH2 ARG 120 21.910 -11.968 5.793 963 2HH2 ARG 120 2HH2 ARG 120 22.227 -13.312 4.693 964 H ALA 121 H ALA 121 22.519 -6.290 2.973 965 HA ALA 121 HA ALA 121 24.655 -5.729 1.087 966 1HB ALA 121 1HB ALA 121 25.189 -3.467 2.063 967 2HB ALA 121 2HB ALA 121 23.588 -3.392 2.827 968 3HB ALA 121 3HB ALA 121 23.715 -3.482 1.020 969 H GLU 122 H GLU 122 26.193 -6.834 2.020 970 HA GLU 122 HA GLU 122 27.593 -7.664 3.567 971 1HB GLU 122 1HB GLU 122 27.394 -5.104 4.132 972 2HB GLU 122 2HB GLU 122 26.633 -5.729 5.612 973 1HG GLU 122 1HG GLU 122 28.894 -7.358 5.467 974 2HG GLU 122 2HG GLU 122 29.478 -5.901 4.654 975 H GLY 123 H GLY 123 25.076 -8.966 3.351 976 1HA GLY 123 1HA GLY 123 23.867 -10.625 4.483 977 2HA GLY 123 2HA GLY 123 25.078 -10.521 5.737 978 H VAL 124 H VAL 124 23.433 -7.510 5.072 979 HA VAL 124 HA VAL 124 21.750 -7.892 7.545 980 HB VAL 124 HB VAL 124 23.082 -5.469 6.301 981 1HG1 VAL 124 1HG1 VAL 124 20.860 -4.518 6.378 982 2HG1 VAL 124 2HG1 VAL 124 21.425 -4.120 8.004 983 3HG1 VAL 124 3HG1 VAL 124 20.378 -5.554 7.711 984 1HG2 VAL 124 1HG2 VAL 124 22.740 -6.694 9.048 985 2HG2 VAL 124 2HG2 VAL 124 23.369 -5.027 8.877 986 3HG2 VAL 124 3HG2 VAL 124 24.225 -6.361 8.121 987 H THR 125 H THR 125 19.663 -8.109 7.252 988 HA THR 125 HA THR 125 18.479 -7.678 4.587 989 HB THR 125 HB THR 125 17.490 -9.015 7.098 990 HG1 THR 125 HG1 THR 125 17.907 -10.486 4.938 991 1HG2 THR 125 1HG2 THR 125 15.958 -10.065 5.012 992 2HG2 THR 125 2HG2 THR 125 16.135 -8.423 4.414 993 3HG2 THR 125 3HG2 THR 125 15.395 -8.682 6.011 994 H CYS 126 H CYS 126 17.575 -5.815 4.145 995 HA CYS 126 HA CYS 126 16.176 -4.202 6.238 996 1HB CYS 126 1HB CYS 126 18.190 -3.117 5.186 997 2HB CYS 126 2HB CYS 126 17.533 -3.363 3.580 998 HG CYS 126 HG CYS 126 17.248 -1.003 5.537 999 H LYS 127 H LYS 127 14.131 -4.820 5.990 1000 HA LYS 127 HA LYS 127 12.972 -5.153 3.198 1001 1HB LYS 127 1HB LYS 127 11.671 -5.998 5.779 1002 2HB LYS 127 2HB LYS 127 11.153 -6.366 4.133 1003 1HG LYS 127 1HG LYS 127 13.234 -7.661 3.814 1004 2HG LYS 127 2HG LYS 127 13.674 -7.405 5.504 1005 1HD LYS 127 1HD LYS 127 12.605 -9.506 5.621 1006 2HD LYS 127 2HD LYS 127 11.294 -8.356 6.027 1007 1HE LYS 127 1HE LYS 127 10.759 -8.327 3.491 1008 2HE LYS 127 2HE LYS 127 11.773 -9.799 3.384 1009 1HZ LYS 127 1HZ LYS 127 9.506 -10.451 3.621 1010 2HZ LYS 127 2HZ LYS 127 9.304 -9.427 4.951 1011 3HZ LYS 127 3HZ LYS 127 10.270 -10.794 5.095 1012 H GLN 128 H GLN 128 11.046 -4.196 2.637 1013 HA GLN 128 HA GLN 128 10.105 -1.982 4.457 1014 1HB GLN 128 1HB GLN 128 10.801 -1.809 1.491 1015 2HB GLN 128 2HB GLN 128 9.647 -0.733 2.293 1016 1HG GLN 128 1HG GLN 128 11.871 -0.686 4.044 1017 2HG GLN 128 2HG GLN 128 12.577 -0.749 2.437 1018 1HE2 GLN 128 1HE2 GLN 128 10.502 0.600 1.040 1019 2HE2 GLN 128 2HE2 GLN 128 10.559 2.270 1.399 1020 H VAL 129 H VAL 129 8.134 -2.743 4.921 1021 HA VAL 129 HA VAL 129 6.477 -4.289 3.030 1022 HB VAL 129 HB VAL 129 5.888 -3.236 5.812 1023 1HG1 VAL 129 1HG1 VAL 129 3.952 -5.057 5.508 1024 2HG1 VAL 129 2HG1 VAL 129 4.209 -4.712 3.785 1025 3HG1 VAL 129 3HG1 VAL 129 3.727 -3.426 4.859 1026 1HG2 VAL 129 1HG2 VAL 129 6.016 -6.183 5.193 1027 2HG2 VAL 129 2HG2 VAL 129 6.778 -5.299 6.529 1028 3HG2 VAL 129 3HG2 VAL 129 7.568 -5.354 4.959 1029 H PHE 130 H PHE 130 5.217 -3.268 1.495 1030 HA PHE 130 HA PHE 130 4.440 -0.416 1.986 1031 1HB PHE 130 1HB PHE 130 4.451 -1.904 -0.644 1032 2HB PHE 130 2HB PHE 130 4.185 -0.187 -0.379 1033 HD1 PHE 130 HD1 PHE 130 6.780 -2.808 -0.556 1034 HD2 PHE 130 HD2 PHE 130 6.032 1.373 0.093 1035 HE1 PHE 130 HE1 PHE 130 9.186 -2.379 -0.871 1036 HE2 PHE 130 HE2 PHE 130 8.472 1.839 -0.229 1037 HZ PHE 130 HZ PHE 130 10.036 -0.084 -0.699 1038 H LYS 131 H LYS 131 2.343 -0.167 0.307 1039 HA LYS 131 HA LYS 131 0.450 -2.427 0.629 1040 1HB LYS 131 1HB LYS 131 0.404 -0.996 2.721 1041 2HB LYS 131 2HB LYS 131 -0.035 0.416 1.738 1042 1HG LYS 131 1HG LYS 131 -2.088 -0.483 2.688 1043 2HG LYS 131 2HG LYS 131 -2.033 -0.722 0.919 1044 1HD LYS 131 1HD LYS 131 -1.586 -3.026 1.043 1045 2HD LYS 131 2HD LYS 131 -0.941 -2.933 2.697 1046 1HE LYS 131 1HE LYS 131 -3.268 -3.916 2.563 1047 2HE LYS 131 2HE LYS 131 -3.128 -2.536 3.663 1048 1HZ LYS 131 1HZ LYS 131 -4.171 -2.312 0.909 1049 2HZ LYS 131 2HZ LYS 131 -4.117 -1.115 2.132 1050 3HZ LYS 131 3HZ LYS 131 -5.075 -2.509 2.293 1051 H LYS 132 H LYS 132 -0.510 -2.566 -1.272 1052 HA LYS 132 HA LYS 132 -0.380 -0.463 -3.294 1053 1HB LYS 132 1HB LYS 132 -1.062 -3.286 -3.152 1054 2HB LYS 132 2HB LYS 132 -2.236 -2.360 -4.081 1055 1HG LYS 132 1HG LYS 132 0.463 -1.568 -4.799 1056 2HG LYS 132 2HG LYS 132 0.274 -3.325 -5.029 1057 1HD LYS 132 1HD LYS 132 -1.569 -1.137 -6.181 1058 2HD LYS 132 2HD LYS 132 -0.424 -2.177 -7.069 1059 1HE LYS 132 1HE LYS 132 -2.049 -3.964 -5.643 1060 2HE LYS 132 2HE LYS 132 -3.180 -2.666 -6.117 1061 1HZ LYS 132 1HZ LYS 132 -2.151 -2.898 -8.430 1062 2HZ LYS 132 2HZ LYS 132 -3.161 -4.161 -7.929 1063 3HZ LYS 132 3HZ LYS 132 -1.469 -4.311 -7.872 1064 H VAL 133 H VAL 133 -1.776 1.296 -3.092 1065 HA VAL 133 HA VAL 133 -4.485 0.848 -1.919 1066 HB VAL 133 HB VAL 133 -3.281 3.477 -2.555 1067 1HG1 VAL 133 1HG1 VAL 133 -5.713 2.364 -1.323 1068 2HG1 VAL 133 2HG1 VAL 133 -5.431 4.023 -1.895 1069 3HG1 VAL 133 3HG1 VAL 133 -4.881 3.577 -0.293 1070 1HG2 VAL 133 1HG2 VAL 133 -1.677 2.146 -1.057 1071 2HG2 VAL 133 2HG2 VAL 133 -3.060 1.921 0.065 1072 3HG2 VAL 133 3HG2 VAL 133 -2.442 3.536 -0.242 1073 H HIS 134 H HIS 134 -2.884 0.766 -4.844 1074 HA HIS 134 HA HIS 134 -3.484 0.840 -7.028 1075 1HB HIS 134 1HB HIS 134 -5.225 -0.487 -7.068 1076 2HB HIS 134 2HB HIS 134 -6.031 0.263 -5.692 1077 HD1 HIS 134 HD1 HIS 134 -7.037 2.834 -6.544 1078 HD2 HIS 134 HD2 HIS 134 -6.545 -0.183 -9.394 1079 HE1 HIS 134 HE1 HIS 134 -8.499 3.502 -8.492 1080 HE2 HIS 134 HE2 HIS 134 -8.214 1.664 -10.273 Start of MODEL 5 1 1H PRO 1 1H PRO 1 5.041 -12.907 -14.247 2 2H PRO 1 2H PRO 1 6.398 -12.409 -13.476 3 HA PRO 1 HA PRO 1 5.837 -10.330 -13.293 4 1HB PRO 1 1HB PRO 1 4.252 -10.426 -15.884 5 2HB PRO 1 2HB PRO 1 5.231 -9.051 -15.210 6 1HG PRO 1 1HG PRO 1 6.322 -10.775 -17.066 7 2HG PRO 1 2HG PRO 1 7.248 -10.000 -15.803 8 1HD PRO 1 1HD PRO 1 6.556 -12.857 -16.077 9 2HD PRO 1 2HD PRO 1 7.749 -12.074 -15.016 10 H VAL 2 H VAL 2 3.952 -9.021 -12.897 11 HA VAL 2 HA VAL 2 1.376 -10.494 -12.442 12 HB VAL 2 HB VAL 2 2.209 -10.780 -10.337 13 1HG1 VAL 2 1HG1 VAL 2 4.399 -9.923 -10.335 14 2HG1 VAL 2 2HG1 VAL 2 3.624 -8.726 -9.235 15 3HG1 VAL 2 3HG1 VAL 2 3.942 -8.335 -10.916 16 1HG2 VAL 2 1HG2 VAL 2 0.159 -9.100 -10.371 17 2HG2 VAL 2 2HG2 VAL 2 1.361 -7.904 -9.787 18 3HG2 VAL 2 3HG2 VAL 2 1.037 -9.409 -8.896 19 H ASP 3 H ASP 3 3.128 -7.339 -12.305 20 HA ASP 3 HA ASP 3 1.371 -5.914 -13.919 21 1HB ASP 3 1HB ASP 3 0.245 -6.368 -11.290 22 2HB ASP 3 2HB ASP 3 0.423 -4.620 -11.694 23 H PHE 4 H PHE 4 2.497 -5.242 -10.630 24 HA PHE 4 HA PHE 4 4.028 -3.851 -9.704 25 1HB PHE 4 1HB PHE 4 5.202 -3.715 -12.480 26 2HB PHE 4 2HB PHE 4 5.857 -2.921 -11.030 27 HD1 PHE 4 HD1 PHE 4 5.669 -6.023 -12.937 28 HD2 PHE 4 HD2 PHE 4 6.394 -4.394 -9.056 29 HE1 PHE 4 HE1 PHE 4 6.821 -8.090 -12.271 30 HE2 PHE 4 HE2 PHE 4 7.533 -6.446 -8.361 31 HZ PHE 4 HZ PHE 4 7.758 -8.336 -10.000 32 H ASN 5 H ASN 5 2.896 -2.422 -12.884 33 HA ASN 5 HA ASN 5 3.241 0.270 -12.546 34 1HB ASN 5 1HB ASN 5 2.263 -1.018 -14.438 35 2HB ASN 5 2HB ASN 5 0.719 -0.923 -13.528 36 1HD2 ASN 5 1HD2 ASN 5 0.029 1.373 -12.886 37 2HD2 ASN 5 2HD2 ASN 5 0.332 2.630 -14.016 38 H GLY 6 H GLY 6 2.782 1.542 -10.786 39 1HA GLY 6 1HA GLY 6 0.153 2.251 -10.125 40 2HA GLY 6 2HA GLY 6 0.541 0.992 -8.993 41 H TYR 7 H TYR 7 1.341 1.507 -7.158 42 HA TYR 7 HA TYR 7 3.379 3.527 -6.780 43 1HB TYR 7 1HB TYR 7 0.541 4.391 -6.644 44 2HB TYR 7 2HB TYR 7 1.143 4.223 -5.014 45 HD1 TYR 7 HD1 TYR 7 1.144 6.319 -7.941 46 HD2 TYR 7 HD2 TYR 7 3.337 5.551 -4.347 47 HE1 TYR 7 HE1 TYR 7 2.238 8.550 -8.137 48 HE2 TYR 7 HE2 TYR 7 4.423 7.710 -4.535 49 HH TYR 7 HH TYR 7 3.940 9.931 -5.625 50 H TRP 8 H TRP 8 4.262 3.141 -4.777 51 HA TRP 8 HA TRP 8 2.976 0.976 -3.175 52 1HB TRP 8 1HB TRP 8 5.900 1.132 -3.889 53 2HB TRP 8 2HB TRP 8 5.135 -0.030 -2.775 54 HD1 TRP 8 HD1 TRP 8 5.800 0.539 -6.526 55 HE1 TRP 8 HE1 TRP 8 4.751 -1.404 -7.931 56 HE3 TRP 8 HE3 TRP 8 3.023 -1.723 -2.856 57 HZ2 TRP 8 HZ2 TRP 8 3.053 -3.508 -7.552 58 HZ3 TRP 8 HZ3 TRP 8 1.696 -3.713 -3.475 59 HH2 TRP 8 HH2 TRP 8 1.711 -4.609 -5.856 60 H LYS 9 H LYS 9 2.574 1.749 -1.318 61 HA LYS 9 HA LYS 9 4.280 3.976 -0.253 62 1HB LYS 9 1HB LYS 9 2.140 4.722 -0.108 63 2HB LYS 9 2HB LYS 9 1.422 3.138 0.030 64 1HG LYS 9 1HG LYS 9 1.039 3.776 2.159 65 2HG LYS 9 2HG LYS 9 2.716 3.424 2.534 66 1HD LYS 9 1HD LYS 9 3.397 5.727 1.970 67 2HD LYS 9 2HD LYS 9 1.758 6.139 1.447 68 1HE LYS 9 1HE LYS 9 0.950 5.691 3.803 69 2HE LYS 9 2HE LYS 9 2.663 5.359 4.271 70 1HZ LYS 9 1HZ LYS 9 2.741 7.767 3.004 71 2HZ LYS 9 2HZ LYS 9 2.666 7.571 4.678 72 3HZ LYS 9 3HZ LYS 9 1.261 7.847 3.821 73 H MET 10 H MET 10 5.836 3.462 1.023 74 HA MET 10 HA MET 10 6.304 0.893 2.296 75 1HB MET 10 1HB MET 10 8.113 1.718 3.192 76 2HB MET 10 2HB MET 10 7.945 2.725 1.743 77 1HG MET 10 1HG MET 10 7.051 3.595 4.549 78 2HG MET 10 2HG MET 10 8.605 4.005 3.837 79 1HE MET 10 1HE MET 10 6.097 5.305 5.120 80 2HE MET 10 2HE MET 10 4.801 5.741 3.984 81 3HE MET 10 3HE MET 10 6.133 6.920 4.363 82 H LEU 11 H LEU 11 5.679 0.039 4.119 83 HA LEU 11 HA LEU 11 4.096 1.745 6.047 84 1HB LEU 11 1HB LEU 11 2.967 -0.362 4.774 85 2HB LEU 11 2HB LEU 11 3.923 -1.293 5.757 86 HG LEU 11 HG LEU 11 2.784 -0.195 7.816 87 1HD1 LEU 11 1HD1 LEU 11 1.934 1.817 6.473 88 2HD1 LEU 11 2HD1 LEU 11 0.767 0.985 7.536 89 3HD1 LEU 11 3HD1 LEU 11 0.693 0.712 5.805 90 1HD2 LEU 11 1HD2 LEU 11 2.091 -2.494 6.515 91 2HD2 LEU 11 2HD2 LEU 11 0.842 -1.481 5.760 92 3HD2 LEU 11 3HD2 LEU 11 0.787 -1.770 7.477 93 H SER 12 H SER 12 6.366 -1.102 5.839 94 HA SER 12 HA SER 12 7.038 -0.542 8.736 95 1HB SER 12 1HB SER 12 5.928 -2.754 7.820 96 2HB SER 12 2HB SER 12 7.644 -3.178 7.662 97 HG SER 12 HG SER 12 7.677 -2.188 9.879 98 H ASN 13 H ASN 13 9.096 -0.836 9.412 99 HA ASN 13 HA ASN 13 11.348 -1.270 7.504 100 1HB ASN 13 1HB ASN 13 11.674 0.984 9.426 101 2HB ASN 13 2HB ASN 13 12.195 0.839 7.729 102 1HD2 ASN 13 1HD2 ASN 13 10.691 1.504 6.011 103 2HD2 ASN 13 2HD2 ASN 13 9.276 2.410 6.357 104 H GLU 14 H GLU 14 12.557 -2.776 8.541 105 HA GLU 14 HA GLU 14 12.403 -2.970 11.539 106 1HB GLU 14 1HB GLU 14 13.643 -5.006 9.806 107 2HB GLU 14 2HB GLU 14 12.930 -5.131 11.455 108 1HG GLU 14 1HG GLU 14 10.705 -4.477 10.280 109 2HG GLU 14 2HG GLU 14 11.514 -4.878 8.772 110 H ASN 15 H ASN 15 15.032 -3.726 9.116 111 HA ASN 15 HA ASN 15 16.899 -2.484 11.058 112 1HB ASN 15 1HB ASN 15 16.974 -4.863 9.341 113 2HB ASN 15 2HB ASN 15 18.482 -3.928 9.422 114 1HD2 ASN 15 1HD2 ASN 15 17.257 -6.544 10.583 115 2HD2 ASN 15 2HD2 ASN 15 17.842 -6.525 12.221 116 H PHE 16 H PHE 16 15.769 -0.508 9.672 117 HA PHE 16 HA PHE 16 16.940 0.101 7.050 118 1HB PHE 16 1HB PHE 16 14.838 0.999 7.709 119 2HB PHE 16 2HB PHE 16 15.567 1.799 9.101 120 HD1 PHE 16 HD1 PHE 16 16.635 3.988 8.853 121 HD2 PHE 16 HD2 PHE 16 15.601 1.700 5.376 122 HE1 PHE 16 HE1 PHE 16 17.164 5.920 7.379 123 HE2 PHE 16 HE2 PHE 16 16.122 3.577 3.923 124 HZ PHE 16 HZ PHE 16 16.910 5.721 4.912 125 H GLU 17 H GLU 17 17.631 1.311 10.388 126 HA GLU 17 HA GLU 17 19.806 3.010 9.645 127 1HB GLU 17 1HB GLU 17 18.354 2.702 11.820 128 2HB GLU 17 2HB GLU 17 19.799 1.785 12.331 129 1HG GLU 17 1HG GLU 17 21.123 3.861 11.315 130 2HG GLU 17 2HG GLU 17 19.622 4.687 11.606 131 H GLU 18 H GLU 18 19.723 -0.380 10.646 132 HA GLU 18 HA GLU 18 22.595 -0.609 10.961 133 1HB GLU 18 1HB GLU 18 20.497 -2.114 11.737 134 2HB GLU 18 2HB GLU 18 21.039 -3.005 10.294 135 1HG GLU 18 1HG GLU 18 22.554 -3.994 11.664 136 2HG GLU 18 2HG GLU 18 23.467 -2.504 11.528 137 H TYR 19 H TYR 19 20.307 -0.915 8.348 138 HA TYR 19 HA TYR 19 21.938 -2.367 6.451 139 1HB TYR 19 1HB TYR 19 19.715 -2.545 5.938 140 2HB TYR 19 2HB TYR 19 19.333 -0.921 6.478 141 HD1 TYR 19 HD1 TYR 19 21.208 -2.783 3.767 142 HD2 TYR 19 HD2 TYR 19 19.045 0.750 4.741 143 HE1 TYR 19 HE1 TYR 19 21.299 -2.101 1.361 144 HE2 TYR 19 HE2 TYR 19 19.140 1.433 2.341 145 HH TYR 19 HH TYR 19 20.939 0.768 0.326 146 H LEU 20 H LEU 20 21.455 1.206 6.997 147 HA LEU 20 HA LEU 20 23.155 1.888 4.719 148 1HB LEU 20 1HB LEU 20 22.556 3.594 7.096 149 2HB LEU 20 2HB LEU 20 23.153 4.140 5.574 150 HG LEU 20 HG LEU 20 20.362 3.074 6.158 151 1HD1 LEU 20 1HD1 LEU 20 20.242 5.084 7.116 152 2HD1 LEU 20 2HD1 LEU 20 19.971 5.696 5.479 153 3HD1 LEU 20 3HD1 LEU 20 21.576 5.814 6.162 154 1HD2 LEU 20 1HD2 LEU 20 21.183 2.678 3.674 155 2HD2 LEU 20 2HD2 LEU 20 21.398 4.452 3.550 156 3HD2 LEU 20 3HD2 LEU 20 19.813 3.755 3.761 157 H ARG 21 H ARG 21 23.540 1.022 8.021 158 HA ARG 21 HA ARG 21 26.242 2.164 8.380 159 1HB ARG 21 1HB ARG 21 24.322 1.455 10.111 160 2HB ARG 21 2HB ARG 21 25.108 -0.099 10.064 161 1HG ARG 21 1HG ARG 21 26.993 2.232 10.397 162 2HG ARG 21 2HG ARG 21 25.851 2.023 11.740 163 1HD ARG 21 1HD ARG 21 26.873 0.175 12.539 164 2HD ARG 21 2HD ARG 21 26.781 -0.590 10.973 165 HE ARG 21 HE ARG 21 28.977 1.345 11.589 166 1HH1 ARG 21 1HH1 ARG 21 28.074 -1.957 10.729 167 2HH1 ARG 21 2HH1 ARG 21 29.688 -2.460 10.410 168 1HH2 ARG 21 1HH2 ARG 21 31.094 0.739 11.207 169 2HH2 ARG 21 2HH2 ARG 21 31.426 -0.872 10.706 170 H ALA 22 H ALA 22 24.765 -0.662 6.911 171 HA ALA 22 HA ALA 22 27.005 -2.456 7.082 172 1HB ALA 22 1HB ALA 22 24.516 -2.999 6.739 173 2HB ALA 22 2HB ALA 22 25.741 -3.831 5.737 174 3HB ALA 22 3HB ALA 22 24.801 -2.503 5.025 175 H LEU 23 H LEU 23 25.723 -0.059 4.852 176 HA LEU 23 HA LEU 23 27.720 -0.668 2.760 177 1HB LEU 23 1HB LEU 23 25.788 1.638 2.679 178 2HB LEU 23 2HB LEU 23 26.671 0.916 1.388 179 HG LEU 23 HG LEU 23 24.880 -1.010 2.796 180 1HD1 LEU 23 1HD1 LEU 23 22.784 0.025 2.451 181 2HD1 LEU 23 2HD1 LEU 23 23.460 1.105 1.225 182 3HD1 LEU 23 3HD1 LEU 23 23.827 1.403 2.917 183 1HD2 LEU 23 1HD2 LEU 23 25.352 -0.092 -0.154 184 2HD2 LEU 23 2HD2 LEU 23 23.988 -1.130 0.261 185 3HD2 LEU 23 3HD2 LEU 23 25.627 -1.725 0.537 186 H ASP 24 H ASP 24 27.671 1.251 5.473 187 HA ASP 24 HA ASP 24 29.133 2.912 6.309 188 1HB ASP 24 1HB ASP 24 30.604 1.794 4.029 189 2HB ASP 24 2HB ASP 24 31.185 3.356 4.656 190 H VAL 25 H VAL 25 26.811 3.712 4.820 191 HA VAL 25 HA VAL 25 27.502 5.879 3.043 192 HB VAL 25 HB VAL 25 25.206 4.532 3.672 193 1HG1 VAL 25 1HG1 VAL 25 25.145 6.160 5.763 194 2HG1 VAL 25 2HG1 VAL 25 23.635 5.874 4.846 195 3HG1 VAL 25 3HG1 VAL 25 24.567 7.356 4.555 196 1HG2 VAL 25 1HG2 VAL 25 25.961 6.024 1.622 197 2HG2 VAL 25 2HG2 VAL 25 25.242 7.376 2.488 198 3HG2 VAL 25 3HG2 VAL 25 24.233 6.004 1.923 199 H ASN 26 H ASN 26 27.135 8.191 3.612 200 HA ASN 26 HA ASN 26 28.727 8.861 5.928 201 1HB ASN 26 1HB ASN 26 28.393 11.051 5.522 202 2HB ASN 26 2HB ASN 26 28.766 10.213 3.998 203 1HD2 ASN 26 1HD2 ASN 26 27.228 10.289 2.322 204 2HD2 ASN 26 2HD2 ASN 26 25.728 11.160 2.404 205 H VAL 27 H VAL 27 28.121 10.210 7.788 206 HA VAL 27 HA VAL 27 26.030 9.065 9.326 207 HB VAL 27 HB VAL 27 28.125 11.010 9.673 208 1HG1 VAL 27 1HG1 VAL 27 26.952 12.023 11.801 209 2HG1 VAL 27 2HG1 VAL 27 25.443 11.427 11.165 210 3HG1 VAL 27 3HG1 VAL 27 26.334 12.609 10.218 211 1HG2 VAL 27 1HG2 VAL 27 28.146 8.658 10.624 212 2HG2 VAL 27 2HG2 VAL 27 26.699 9.037 11.569 213 3HG2 VAL 27 3HG2 VAL 27 28.215 9.851 11.924 214 H ALA 28 H ALA 28 26.241 12.124 7.537 215 HA ALA 28 HA ALA 28 23.840 13.249 8.739 216 1HB ALA 28 1HB ALA 28 25.909 14.326 7.390 217 2HB ALA 28 2HB ALA 28 24.315 15.124 7.548 218 3HB ALA 28 3HB ALA 28 24.722 14.266 6.054 219 H LEU 29 H LEU 29 24.463 11.349 5.857 220 HA LEU 29 HA LEU 29 21.892 11.683 4.578 221 1HB LEU 29 1HB LEU 29 23.971 10.890 3.520 222 2HB LEU 29 2HB LEU 29 23.896 9.404 4.396 223 HG LEU 29 HG LEU 29 21.732 8.828 3.410 224 1HD1 LEU 29 1HD1 LEU 29 20.829 10.210 1.469 225 2HD1 LEU 29 2HD1 LEU 29 22.057 11.440 1.834 226 3HD1 LEU 29 3HD1 LEU 29 20.828 11.070 3.050 227 1HD2 LEU 29 1HD2 LEU 29 22.849 9.049 0.790 228 2HD2 LEU 29 2HD2 LEU 29 23.350 7.829 1.950 229 3HD2 LEU 29 3HD2 LEU 29 24.251 9.329 1.865 230 H ARG 30 H ARG 30 23.083 9.589 7.063 231 HA ARG 30 HA ARG 30 20.819 7.722 7.134 232 1HB ARG 30 1HB ARG 30 22.761 6.705 7.792 233 2HB ARG 30 2HB ARG 30 23.332 8.125 8.714 234 1HG ARG 30 1HG ARG 30 21.682 7.787 10.470 235 2HG ARG 30 2HG ARG 30 20.910 6.513 9.552 236 1HD ARG 30 1HD ARG 30 22.528 5.786 11.441 237 2HD ARG 30 2HD ARG 30 22.606 4.966 9.903 238 HE ARG 30 HE ARG 30 24.490 6.985 9.692 239 1HH1 ARG 30 1HH1 ARG 30 23.890 4.299 11.849 240 2HH1 ARG 30 2HH1 ARG 30 25.574 4.055 12.248 241 1HH2 ARG 30 1HH2 ARG 30 26.721 6.683 10.212 242 2HH2 ARG 30 2HH2 ARG 30 27.159 5.436 11.299 243 H LYS 31 H LYS 31 21.793 10.712 8.581 244 HA LYS 31 HA LYS 31 19.814 10.626 10.746 245 1HB LYS 31 1HB LYS 31 22.145 12.090 10.022 246 2HB LYS 31 2HB LYS 31 20.816 13.278 10.044 247 1HG LYS 31 1HG LYS 31 21.398 11.324 12.387 248 2HG LYS 31 2HG LYS 31 22.075 12.944 12.245 249 1HD LYS 31 1HD LYS 31 20.098 14.047 12.669 250 2HD LYS 31 2HD LYS 31 19.154 12.813 11.846 251 1HE LYS 31 1HE LYS 31 18.646 12.651 14.239 252 2HE LYS 31 2HE LYS 31 19.629 11.195 13.839 253 1HZ LYS 31 1HZ LYS 31 21.447 12.045 14.928 254 2HZ LYS 31 2HZ LYS 31 20.153 12.664 15.852 255 3HZ LYS 31 3HZ LYS 31 21.020 13.638 14.759 256 H ILE 32 H ILE 32 20.168 12.157 7.592 257 HA ILE 32 HA ILE 32 17.707 13.673 7.810 258 HB ILE 32 HB ILE 32 19.718 13.158 5.625 259 1HG1 ILE 32 1HG1 ILE 32 19.152 15.776 5.542 260 2HG1 ILE 32 2HG1 ILE 32 18.697 15.490 7.206 261 1HG2 ILE 32 1HG2 ILE 32 17.511 12.794 4.391 262 2HG2 ILE 32 2HG2 ILE 32 18.286 14.311 3.942 263 3HG2 ILE 32 3HG2 ILE 32 16.915 14.329 5.057 264 1HD1 ILE 32 1HD1 ILE 32 20.918 14.685 7.725 265 2HD1 ILE 32 2HD1 ILE 32 21.175 16.188 6.771 266 3HD1 ILE 32 3HD1 ILE 32 21.355 14.619 5.998 267 H ALA 33 H ALA 33 18.706 10.491 6.671 268 HA ALA 33 HA ALA 33 16.351 9.883 5.164 269 1HB ALA 33 1HB ALA 33 17.262 7.586 5.256 270 2HB ALA 33 2HB ALA 33 18.663 8.253 6.200 271 3HB ALA 33 3HB ALA 33 18.323 8.838 4.562 272 H ASN 34 H ASN 34 17.518 8.682 8.397 273 HA ASN 34 HA ASN 34 15.517 6.906 9.032 274 1HB ASN 34 1HB ASN 34 16.131 7.009 11.249 275 2HB ASN 34 2HB ASN 34 17.554 7.418 10.249 276 1HD2 ASN 34 1HD2 ASN 34 18.536 8.370 12.143 277 2HD2 ASN 34 2HD2 ASN 34 18.107 9.982 12.658 278 H LEU 35 H LEU 35 15.136 10.361 8.865 279 HA LEU 35 HA LEU 35 12.809 10.589 10.554 280 1HB LEU 35 1HB LEU 35 14.271 12.329 8.644 281 2HB LEU 35 2HB LEU 35 12.558 12.696 8.974 282 HG LEU 35 HG LEU 35 14.450 12.147 11.245 283 1HD1 LEU 35 1HD1 LEU 35 14.682 14.408 9.369 284 2HD1 LEU 35 2HD1 LEU 35 15.742 13.934 10.734 285 3HD1 LEU 35 3HD1 LEU 35 14.389 15.005 10.994 286 1HD2 LEU 35 1HD2 LEU 35 12.515 12.767 12.442 287 2HD2 LEU 35 2HD2 LEU 35 11.660 13.039 10.929 288 3HD2 LEU 35 3HD2 LEU 35 12.565 14.350 11.699 289 H LEU 36 H LEU 36 13.441 10.438 7.053 290 HA LEU 36 HA LEU 36 10.512 10.153 6.562 291 1HB LEU 36 1HB LEU 36 11.172 10.426 4.137 292 2HB LEU 36 2HB LEU 36 11.444 11.771 5.115 293 HG LEU 36 HG LEU 36 13.903 11.174 5.231 294 1HD1 LEU 36 1HD1 LEU 36 14.245 8.943 4.649 295 2HD1 LEU 36 2HD1 LEU 36 14.532 9.709 3.071 296 3HD1 LEU 36 3HD1 LEU 36 12.978 8.929 3.449 297 1HD2 LEU 36 1HD2 LEU 36 12.499 11.837 2.571 298 2HD2 LEU 36 2HD2 LEU 36 14.253 11.907 2.734 299 3HD2 LEU 36 3HD2 LEU 36 13.287 12.970 3.726 300 H LYS 37 H LYS 37 10.213 8.638 4.404 301 HA LYS 37 HA LYS 37 11.778 6.159 4.759 302 1HB LYS 37 1HB LYS 37 8.755 6.045 4.589 303 2HB LYS 37 2HB LYS 37 9.872 4.819 5.185 304 1HG LYS 37 1HG LYS 37 10.236 6.740 7.134 305 2HG LYS 37 2HG LYS 37 8.587 7.123 6.623 306 1HD LYS 37 1HD LYS 37 8.034 4.606 6.887 307 2HD LYS 37 2HD LYS 37 9.637 4.419 7.639 308 1HE LYS 37 1HE LYS 37 8.924 6.279 9.282 309 2HE LYS 37 2HE LYS 37 7.270 6.040 8.615 310 1HZ LYS 37 1HZ LYS 37 7.239 3.804 9.333 311 2HZ LYS 37 2HZ LYS 37 7.971 4.613 10.641 312 3HZ LYS 37 3HZ LYS 37 8.884 3.747 9.541 313 HA PRO 38 HA PRO 38 11.671 6.698 0.355 314 1HB PRO 38 1HB PRO 38 12.338 4.151 -0.361 315 2HB PRO 38 2HB PRO 38 13.452 5.302 0.436 316 1HG PRO 38 1HG PRO 38 11.644 3.123 1.688 317 2HG PRO 38 2HG PRO 38 13.426 3.327 1.843 318 1HD PRO 38 1HD PRO 38 11.997 4.428 3.783 319 2HD PRO 38 2HD PRO 38 13.328 5.331 3.020 320 H ASP 39 H ASP 39 9.670 7.057 -0.577 321 HA ASP 39 HA ASP 39 7.667 4.908 -0.733 322 1HB ASP 39 1HB ASP 39 7.654 7.769 -0.716 323 2HB ASP 39 2HB ASP 39 7.258 7.339 -2.365 324 H LYS 40 H LYS 40 7.362 3.769 -2.560 325 HA LYS 40 HA LYS 40 9.091 4.421 -4.905 326 1HB LYS 40 1HB LYS 40 8.679 1.956 -3.335 327 2HB LYS 40 2HB LYS 40 8.437 1.717 -5.075 328 1HG LYS 40 1HG LYS 40 10.652 2.911 -5.491 329 2HG LYS 40 2HG LYS 40 10.938 2.836 -3.728 330 1HD LYS 40 1HD LYS 40 10.359 0.262 -4.047 331 2HD LYS 40 2HD LYS 40 10.694 0.606 -5.760 332 1HE LYS 40 1HE LYS 40 12.553 0.326 -3.397 333 2HE LYS 40 2HE LYS 40 12.808 -0.062 -5.083 334 1HZ LYS 40 1HZ LYS 40 14.232 1.735 -4.403 335 2HZ LYS 40 2HZ LYS 40 12.882 2.646 -3.886 336 3HZ LYS 40 3HZ LYS 40 13.123 2.353 -5.514 337 H GLU 41 H GLU 41 8.316 4.396 -6.882 338 HA GLU 41 HA GLU 41 5.532 3.501 -7.270 339 1HB GLU 41 1HB GLU 41 5.016 5.759 -7.277 340 2HB GLU 41 2HB GLU 41 6.668 6.276 -7.682 341 1HG GLU 41 1HG GLU 41 6.296 5.942 -10.084 342 2HG GLU 41 2HG GLU 41 5.015 4.798 -9.781 343 H ILE 42 H ILE 42 5.455 2.257 -9.030 344 HA ILE 42 HA ILE 42 7.927 2.222 -10.777 345 HB ILE 42 HB ILE 42 6.061 0.013 -9.961 346 1HG1 ILE 42 1HG1 ILE 42 9.120 0.062 -9.638 347 2HG1 ILE 42 2HG1 ILE 42 8.190 1.072 -8.622 348 1HG2 ILE 42 1HG2 ILE 42 8.203 0.332 -12.168 349 2HG2 ILE 42 2HG2 ILE 42 6.679 -0.499 -12.310 350 3HG2 ILE 42 3HG2 ILE 42 8.036 -1.288 -11.451 351 1HD1 ILE 42 1HD1 ILE 42 6.817 -1.430 -8.517 352 2HD1 ILE 42 2HD1 ILE 42 7.945 -0.814 -7.285 353 3HD1 ILE 42 3HD1 ILE 42 8.535 -1.872 -8.595 354 H VAL 43 H VAL 43 7.719 2.420 -12.836 355 HA VAL 43 HA VAL 43 4.977 2.269 -14.033 356 HB VAL 43 HB VAL 43 7.123 4.374 -14.635 357 1HG1 VAL 43 1HG1 VAL 43 6.182 3.482 -16.772 358 2HG1 VAL 43 2HG1 VAL 43 5.758 5.189 -16.519 359 3HG1 VAL 43 3HG1 VAL 43 4.557 3.945 -16.239 360 1HG2 VAL 43 1HG2 VAL 43 5.791 5.138 -12.805 361 2HG2 VAL 43 2HG2 VAL 43 4.324 4.406 -13.436 362 3HG2 VAL 43 3HG2 VAL 43 4.974 5.885 -14.202 363 H GLN 44 H GLN 44 5.224 0.398 -15.072 364 HA GLN 44 HA GLN 44 7.766 -0.391 -16.413 365 1HB GLN 44 1HB GLN 44 6.612 -1.969 -14.901 366 2HB GLN 44 2HB GLN 44 5.123 -1.693 -15.762 367 1HG GLN 44 1HG GLN 44 7.086 -2.685 -17.696 368 2HG GLN 44 2HG GLN 44 7.206 -3.666 -16.265 369 1HE2 GLN 44 1HE2 GLN 44 4.767 -3.882 -15.173 370 2HE2 GLN 44 2HE2 GLN 44 3.677 -4.609 -16.277 371 H ASP 45 H ASP 45 7.941 -0.715 -18.516 372 HA ASP 45 HA ASP 45 5.638 -0.252 -20.370 373 1HB ASP 45 1HB ASP 45 7.734 1.602 -19.944 374 2HB ASP 45 2HB ASP 45 8.347 0.593 -21.281 375 H GLY 46 H GLY 46 6.327 -1.231 -22.568 376 1HA GLY 46 1HA GLY 46 7.179 -3.959 -22.084 377 2HA GLY 46 2HA GLY 46 6.913 -3.203 -23.683 378 H ASP 47 H ASP 47 9.304 -4.562 -21.778 379 HA ASP 47 HA ASP 47 11.637 -4.716 -22.065 380 1HB ASP 47 1HB ASP 47 11.330 -3.049 -24.498 381 2HB ASP 47 2HB ASP 47 12.655 -4.175 -24.035 382 H HIS 48 H HIS 48 10.163 -2.143 -20.868 383 HA HIS 48 HA HIS 48 12.725 -0.721 -20.319 384 1HB HIS 48 1HB HIS 48 10.763 0.268 -22.316 385 2HB HIS 48 2HB HIS 48 11.026 1.399 -21.011 386 HD1 HIS 48 HD1 HIS 48 12.072 1.415 -24.099 387 HD2 HIS 48 HD2 HIS 48 14.324 1.001 -20.559 388 HE1 HIS 48 HE1 HIS 48 14.498 2.182 -24.608 389 HE2 HIS 48 HE2 HIS 48 15.832 1.925 -22.457 390 H MET 49 H MET 49 12.637 -0.465 -18.205 391 HA MET 49 HA MET 49 9.964 -0.006 -16.895 392 1HB MET 49 1HB MET 49 11.164 -2.215 -16.676 393 2HB MET 49 2HB MET 49 12.351 -1.377 -15.695 394 1HG MET 49 1HG MET 49 10.816 -1.008 -13.931 395 2HG MET 49 2HG MET 49 9.445 -0.869 -15.045 396 1HE MET 49 1HE MET 49 11.537 -2.720 -12.713 397 2HE MET 49 2HE MET 49 12.244 -3.814 -13.946 398 3HE MET 49 3HE MET 49 11.042 -4.449 -12.813 399 H ILE 50 H ILE 50 10.011 1.283 -14.928 400 HA ILE 50 HA ILE 50 12.379 3.011 -14.583 401 HB ILE 50 HB ILE 50 9.504 3.983 -14.815 402 1HG1 ILE 50 1HG1 ILE 50 11.846 4.185 -16.808 403 2HG1 ILE 50 2HG1 ILE 50 10.377 3.284 -17.037 404 1HG2 ILE 50 1HG2 ILE 50 11.726 5.943 -15.245 405 2HG2 ILE 50 2HG2 ILE 50 11.804 5.258 -13.615 406 3HG2 ILE 50 3HG2 ILE 50 10.338 6.070 -14.119 407 1HD1 ILE 50 1HD1 ILE 50 9.311 5.842 -16.563 408 2HD1 ILE 50 2HD1 ILE 50 9.716 5.152 -18.166 409 3HD1 ILE 50 3HD1 ILE 50 10.847 6.223 -17.343 410 H ILE 51 H ILE 51 12.633 3.413 -12.481 411 HA ILE 51 HA ILE 51 10.496 2.618 -10.521 412 HB ILE 51 HB ILE 51 13.465 2.827 -9.882 413 1HG1 ILE 51 1HG1 ILE 51 13.707 1.026 -11.251 414 2HG1 ILE 51 2HG1 ILE 51 13.246 0.162 -9.826 415 1HG2 ILE 51 1HG2 ILE 51 11.429 1.064 -8.400 416 2HG2 ILE 51 2HG2 ILE 51 11.470 2.779 -8.071 417 3HG2 ILE 51 3HG2 ILE 51 12.925 1.855 -7.781 418 1HD1 ILE 51 1HD1 ILE 51 10.775 0.775 -11.258 419 2HD1 ILE 51 2HD1 ILE 51 11.521 -0.798 -10.994 420 3HD1 ILE 51 3HD1 ILE 51 11.942 0.083 -12.436 421 H ARG 52 H ARG 52 9.824 4.342 -9.249 422 HA ARG 52 HA ARG 52 11.581 6.798 -9.332 423 1HB ARG 52 1HB ARG 52 8.641 7.019 -8.972 424 2HB ARG 52 2HB ARG 52 9.805 8.113 -9.672 425 1HG ARG 52 1HG ARG 52 10.059 6.289 -11.588 426 2HG ARG 52 2HG ARG 52 8.520 5.683 -10.924 427 1HD ARG 52 1HD ARG 52 7.636 7.131 -12.450 428 2HD ARG 52 2HD ARG 52 7.807 8.283 -11.122 429 HE ARG 52 HE ARG 52 9.736 8.062 -13.420 430 1HH1 ARG 52 1HH1 ARG 52 8.289 10.096 -10.845 431 2HH1 ARG 52 2HH1 ARG 52 9.093 11.499 -11.429 432 1HH2 ARG 52 1HH2 ARG 52 10.715 9.864 -14.100 433 2HH2 ARG 52 2HH2 ARG 52 10.472 11.375 -13.249 434 H THR 53 H THR 53 12.587 6.866 -7.423 435 HA THR 53 HA THR 53 11.275 6.133 -4.932 436 HB THR 53 HB THR 53 13.911 7.637 -5.224 437 HG1 THR 53 HG1 THR 53 13.262 5.339 -6.446 438 1HG2 THR 53 1HG2 THR 53 13.416 5.064 -3.621 439 2HG2 THR 53 2HG2 THR 53 12.851 6.560 -2.901 440 3HG2 THR 53 3HG2 THR 53 14.590 6.364 -3.273 441 H LEU 54 H LEU 54 10.153 7.554 -3.786 442 HA LEU 54 HA LEU 54 10.329 10.465 -4.513 443 1HB LEU 54 1HB LEU 54 7.885 8.820 -4.364 444 2HB LEU 54 2HB LEU 54 7.903 10.592 -4.279 445 HG LEU 54 HG LEU 54 9.286 8.901 -6.427 446 1HD1 LEU 54 1HD1 LEU 54 6.636 8.756 -6.147 447 2HD1 LEU 54 2HD1 LEU 54 7.354 8.918 -7.752 448 3HD1 LEU 54 3HD1 LEU 54 6.614 10.328 -6.917 449 1HD2 LEU 54 1HD2 LEU 54 8.723 11.912 -6.268 450 2HD2 LEU 54 2HD2 LEU 54 9.063 11.072 -7.800 451 3HD2 LEU 54 3HD2 LEU 54 10.249 11.041 -6.462 452 H SER 55 H SER 55 11.587 10.604 -2.474 453 HA SER 55 HA SER 55 9.870 10.914 -0.026 454 1HB SER 55 1HB SER 55 12.373 9.649 -0.494 455 2HB SER 55 2HB SER 55 12.774 11.198 0.340 456 HG SER 55 HG SER 55 12.314 9.948 1.945 457 H THR 56 H THR 56 9.496 12.939 0.657 458 HA THR 56 HA THR 56 10.276 15.160 -0.963 459 HB THR 56 HB THR 56 9.519 16.601 1.059 460 HG1 THR 56 HG1 THR 56 9.781 15.343 2.721 461 1HG2 THR 56 1HG2 THR 56 7.189 16.313 0.417 462 2HG2 THR 56 2HG2 THR 56 7.356 14.573 0.304 463 3HG2 THR 56 3HG2 THR 56 8.072 15.559 -0.958 464 H PHE 57 H PHE 57 12.448 15.125 -1.260 465 HA PHE 57 HA PHE 57 14.097 16.702 0.404 466 1HB PHE 57 1HB PHE 57 14.196 14.992 2.055 467 2HB PHE 57 2HB PHE 57 14.291 13.717 0.822 468 HD1 PHE 57 HD1 PHE 57 16.466 12.604 1.247 469 HD2 PHE 57 HD2 PHE 57 16.155 16.905 1.080 470 HE1 PHE 57 HE1 PHE 57 18.946 12.774 1.370 471 HE2 PHE 57 HE2 PHE 57 18.651 17.045 1.197 472 HZ PHE 57 HZ PHE 57 20.028 15.016 1.341 473 H ARG 58 H ARG 58 14.685 13.507 -1.100 474 HA ARG 58 HA ARG 58 15.995 14.842 -3.429 475 1HB ARG 58 1HB ARG 58 17.658 14.605 -1.703 476 2HB ARG 58 2HB ARG 58 17.287 12.926 -1.528 477 1HG ARG 58 1HG ARG 58 18.103 12.410 -3.758 478 2HG ARG 58 2HG ARG 58 18.337 14.164 -4.098 479 1HD ARG 58 1HD ARG 58 19.834 12.504 -2.000 480 2HD ARG 58 2HD ARG 58 20.489 13.069 -3.552 481 HE ARG 58 HE ARG 58 19.563 15.395 -2.422 482 1HH1 ARG 58 1HH1 ARG 58 21.699 12.877 -1.076 483 2HH1 ARG 58 2HH1 ARG 58 22.520 14.023 -0.035 484 1HH2 ARG 58 1HH2 ARG 58 20.657 16.835 -1.073 485 2HH2 ARG 58 2HH2 ARG 58 21.929 16.185 -0.072 486 H ASN 59 H ASN 59 14.738 13.941 -4.978 487 HA ASN 59 HA ASN 59 13.994 11.071 -5.040 488 1HB ASN 59 1HB ASN 59 13.695 13.274 -7.087 489 2HB ASN 59 2HB ASN 59 12.873 11.715 -7.120 490 1HD2 ASN 59 1HD2 ASN 59 13.149 13.163 -3.924 491 2HD2 ASN 59 2HD2 ASN 59 11.544 13.739 -3.767 492 H TYR 60 H TYR 60 15.267 9.570 -6.053 493 HA TYR 60 HA TYR 60 16.976 10.632 -8.297 494 1HB TYR 60 1HB TYR 60 18.768 9.291 -7.878 495 2HB TYR 60 2HB TYR 60 18.195 9.801 -6.210 496 HD1 TYR 60 HD1 TYR 60 19.765 7.300 -7.644 497 HD2 TYR 60 HD2 TYR 60 15.983 7.734 -5.613 498 HE1 TYR 60 HE1 TYR 60 19.817 4.964 -7.068 499 HE2 TYR 60 HE2 TYR 60 16.068 5.368 -5.059 500 HH TYR 60 HH TYR 60 17.087 3.316 -5.971 501 H ILE 61 H ILE 61 16.304 9.967 -10.153 502 HA ILE 61 HA ILE 61 14.431 7.612 -10.261 503 HB ILE 61 HB ILE 61 14.823 9.362 -12.594 504 1HG1 ILE 61 1HG1 ILE 61 14.590 11.079 -10.830 505 2HG1 ILE 61 2HG1 ILE 61 13.162 11.017 -11.818 506 1HG2 ILE 61 1HG2 ILE 61 13.373 7.676 -13.069 507 2HG2 ILE 61 2HG2 ILE 61 12.118 8.790 -12.421 508 3HG2 ILE 61 3HG2 ILE 61 12.837 7.507 -11.413 509 1HD1 ILE 61 1HD1 ILE 61 13.214 10.793 -8.944 510 2HD1 ILE 61 2HD1 ILE 61 12.591 9.263 -9.549 511 3HD1 ILE 61 3HD1 ILE 61 11.833 10.816 -10.033 512 H MET 62 H MET 62 14.550 6.220 -11.942 513 HA MET 62 HA MET 62 17.041 6.153 -13.573 514 1HB MET 62 1HB MET 62 16.056 3.482 -12.795 515 2HB MET 62 2HB MET 62 17.719 4.041 -12.744 516 1HG MET 62 1HG MET 62 15.749 4.764 -10.538 517 2HG MET 62 2HG MET 62 16.695 3.276 -10.506 518 1HE MET 62 1HE MET 62 20.336 4.547 -10.469 519 2HE MET 62 2HE MET 62 19.773 5.357 -11.930 520 3HE MET 62 3HE MET 62 19.262 3.677 -11.599 521 H ASP 63 H ASP 63 16.551 3.779 -14.939 522 HA ASP 63 HA ASP 63 13.831 3.540 -15.832 523 1HB ASP 63 1HB ASP 63 14.579 5.784 -16.850 524 2HB ASP 63 2HB ASP 63 15.908 4.956 -17.669 525 H PHE 64 H PHE 64 14.804 1.543 -15.115 526 HA PHE 64 HA PHE 64 17.156 0.347 -16.261 527 1HB PHE 64 1HB PHE 64 14.700 -0.799 -14.956 528 2HB PHE 64 2HB PHE 64 16.101 -1.805 -15.467 529 HD1 PHE 64 HD1 PHE 64 18.475 -0.929 -14.636 530 HD2 PHE 64 HD2 PHE 64 14.717 0.106 -12.747 531 HE1 PHE 64 HE1 PHE 64 19.682 -0.363 -12.551 532 HE2 PHE 64 HE2 PHE 64 15.952 0.670 -10.713 533 HZ PHE 64 HZ PHE 64 18.392 0.442 -10.582 534 H GLN 65 H GLN 65 17.002 -1.880 -17.324 535 HA GLN 65 HA GLN 65 15.064 -1.919 -19.549 536 1HB GLN 65 1HB GLN 65 18.112 -2.222 -19.614 537 2HB GLN 65 2HB GLN 65 17.106 -2.957 -20.866 538 1HG GLN 65 1HG GLN 65 16.427 -0.142 -20.518 539 2HG GLN 65 2HG GLN 65 18.165 -0.271 -20.805 540 1HE2 GLN 65 1HE2 GLN 65 18.372 -2.553 -22.408 541 2HE2 GLN 65 2HE2 GLN 65 17.585 -2.248 -23.945 542 H VAL 66 H VAL 66 13.964 -3.646 -18.545 543 HA VAL 66 HA VAL 66 15.196 -5.802 -17.110 544 HB VAL 66 HB VAL 66 12.635 -6.097 -18.681 545 1HG1 VAL 66 1HG1 VAL 66 12.184 -7.796 -17.231 546 2HG1 VAL 66 2HG1 VAL 66 13.096 -7.123 -15.884 547 3HG1 VAL 66 3HG1 VAL 66 13.983 -7.871 -17.242 548 1HG2 VAL 66 1HG2 VAL 66 11.886 -5.309 -16.088 549 2HG2 VAL 66 2HG2 VAL 66 11.831 -4.219 -17.481 550 3HG2 VAL 66 3HG2 VAL 66 13.254 -4.217 -16.391 551 H GLY 67 H GLY 67 16.519 -7.333 -17.754 552 1HA GLY 67 1HA GLY 67 16.812 -9.348 -19.094 553 2HA GLY 67 2HA GLY 67 16.025 -8.530 -20.408 554 H LYS 68 H LYS 68 18.468 -6.741 -18.554 555 HA LYS 68 HA LYS 68 20.766 -7.592 -20.068 556 1HB LYS 68 1HB LYS 68 19.296 -6.332 -21.695 557 2HB LYS 68 2HB LYS 68 19.705 -4.879 -20.794 558 1HG LYS 68 1HG LYS 68 22.183 -6.291 -21.358 559 2HG LYS 68 2HG LYS 68 21.307 -6.083 -22.886 560 1HD LYS 68 1HD LYS 68 20.784 -3.667 -21.946 561 2HD LYS 68 2HD LYS 68 22.284 -3.989 -21.019 562 1HE LYS 68 1HE LYS 68 21.992 -3.677 -23.985 563 2HE LYS 68 2HE LYS 68 23.131 -2.906 -22.859 564 1HZ LYS 68 1HZ LYS 68 23.238 -5.667 -23.982 565 2HZ LYS 68 2HZ LYS 68 24.047 -5.238 -22.538 566 3HZ LYS 68 3HZ LYS 68 24.418 -4.499 -24.016 567 H GLU 69 H GLU 69 22.704 -6.702 -19.224 568 HA GLU 69 HA GLU 69 22.598 -5.499 -16.663 569 1HB GLU 69 1HB GLU 69 24.646 -6.168 -16.834 570 2HB GLU 69 2HB GLU 69 24.632 -6.188 -18.623 571 1HG GLU 69 1HG GLU 69 24.967 -3.456 -17.422 572 2HG GLU 69 2HG GLU 69 26.215 -4.601 -17.018 573 H PHE 70 H PHE 70 21.881 -3.672 -16.044 574 HA PHE 70 HA PHE 70 21.447 -1.511 -18.024 575 1HB PHE 70 1HB PHE 70 19.649 -2.142 -16.508 576 2HB PHE 70 2HB PHE 70 20.668 -1.694 -15.130 577 HD1 PHE 70 HD1 PHE 70 19.435 -0.187 -18.315 578 HD2 PHE 70 HD2 PHE 70 20.532 0.483 -14.227 579 HE1 PHE 70 HE1 PHE 70 18.741 2.170 -18.519 580 HE2 PHE 70 HE2 PHE 70 19.867 2.802 -14.398 581 HZ PHE 70 HZ PHE 70 18.963 3.711 -16.501 582 H GLU 71 H GLU 71 23.367 -2.162 -15.030 583 HA GLU 71 HA GLU 71 25.188 -1.090 -14.113 584 1HB GLU 71 1HB GLU 71 26.629 -0.410 -15.654 585 2HB GLU 71 2HB GLU 71 25.353 -0.413 -16.885 586 1HG GLU 71 1HG GLU 71 24.631 1.858 -16.171 587 2HG GLU 71 2HG GLU 71 25.949 1.955 -15.032 588 H GLU 72 H GLU 72 25.673 0.969 -13.025 589 HA GLU 72 HA GLU 72 23.195 2.693 -12.787 590 1HB GLU 72 1HB GLU 72 24.558 1.139 -10.636 591 2HB GLU 72 2HB GLU 72 23.766 2.669 -10.343 592 1HG GLU 72 1HG GLU 72 21.664 1.721 -11.458 593 2HG GLU 72 2HG GLU 72 22.464 0.195 -11.622 594 H ASP 73 H ASP 73 26.650 2.333 -11.742 595 HA ASP 73 HA ASP 73 28.267 3.942 -11.309 596 1HB ASP 73 1HB ASP 73 26.710 5.097 -13.564 597 2HB ASP 73 2HB ASP 73 27.926 6.103 -12.778 598 H LEU 74 H LEU 74 25.777 3.793 -9.860 599 HA LEU 74 HA LEU 74 24.344 5.875 -9.042 600 1HB LEU 74 1HB LEU 74 24.919 3.415 -8.155 601 2HB LEU 74 2HB LEU 74 25.420 4.463 -6.804 602 HG LEU 74 HG LEU 74 23.149 3.677 -6.586 603 1HD1 LEU 74 1HD1 LEU 74 24.014 6.130 -5.964 604 2HD1 LEU 74 2HD1 LEU 74 22.342 5.643 -5.714 605 3HD1 LEU 74 3HD1 LEU 74 22.760 6.641 -7.127 606 1HD2 LEU 74 1HD2 LEU 74 21.543 3.811 -8.253 607 2HD2 LEU 74 2HD2 LEU 74 22.883 4.152 -9.361 608 3HD2 LEU 74 3HD2 LEU 74 21.969 5.500 -8.667 609 H THR 75 H THR 75 24.497 7.702 -7.685 610 HA THR 75 HA THR 75 26.736 8.245 -5.957 611 HB THR 75 HB THR 75 28.138 9.166 -7.427 612 HG1 THR 75 HG1 THR 75 27.970 11.209 -7.218 613 1HG2 THR 75 1HG2 THR 75 26.769 8.463 -9.442 614 2HG2 THR 75 2HG2 THR 75 27.375 10.136 -9.683 615 3HG2 THR 75 3HG2 THR 75 25.687 9.829 -9.243 616 H GLY 76 H GLY 76 25.472 8.834 -4.367 617 1HA GLY 76 1HA GLY 76 24.249 11.208 -3.932 618 2HA GLY 76 2HA GLY 76 22.912 10.271 -4.616 619 H ILE 77 H ILE 77 23.311 7.806 -3.749 620 HA ILE 77 HA ILE 77 23.421 7.825 -0.741 621 HB ILE 77 HB ILE 77 21.862 5.735 -1.229 622 1HG1 ILE 77 1HG1 ILE 77 20.929 7.647 -3.444 623 2HG1 ILE 77 2HG1 ILE 77 21.865 6.207 -3.681 624 1HG2 ILE 77 1HG2 ILE 77 21.375 7.662 0.332 625 2HG2 ILE 77 2HG2 ILE 77 19.899 7.145 -0.523 626 3HG2 ILE 77 3HG2 ILE 77 20.768 8.619 -1.060 627 1HD1 ILE 77 1HD1 ILE 77 19.457 5.558 -2.063 628 2HD1 ILE 77 2HD1 ILE 77 20.100 4.815 -3.505 629 3HD1 ILE 77 3HD1 ILE 77 19.065 6.222 -3.672 630 H ASP 78 H ASP 78 24.491 6.171 0.065 631 HA ASP 78 HA ASP 78 26.038 4.403 0.229 632 1HB ASP 78 1HB ASP 78 24.271 3.173 -0.792 633 2HB ASP 78 2HB ASP 78 24.815 3.611 -2.412 634 H ASP 79 H ASP 79 26.084 5.134 -3.226 635 HA ASP 79 HA ASP 79 27.645 6.153 -4.619 636 1HB ASP 79 1HB ASP 79 29.830 6.315 -2.706 637 2HB ASP 79 2HB ASP 79 29.368 7.315 -4.083 638 H ARG 80 H ARG 80 27.393 3.745 -5.218 639 HA ARG 80 HA ARG 80 30.022 2.311 -4.955 640 1HB ARG 80 1HB ARG 80 27.261 1.477 -4.553 641 2HB ARG 80 2HB ARG 80 28.120 0.441 -5.688 642 1HG ARG 80 1HG ARG 80 30.002 0.682 -3.732 643 2HG ARG 80 2HG ARG 80 28.578 0.935 -2.733 644 1HD ARG 80 1HD ARG 80 28.981 -1.510 -4.556 645 2HD ARG 80 2HD ARG 80 29.234 -1.505 -2.802 646 HE ARG 80 HE ARG 80 26.864 -0.808 -2.525 647 1HH1 ARG 80 1HH1 ARG 80 27.657 -2.379 -5.632 648 2HH1 ARG 80 2HH1 ARG 80 25.990 -2.887 -5.871 649 1HH2 ARG 80 1HH2 ARG 80 24.712 -1.526 -2.962 650 2HH2 ARG 80 2HH2 ARG 80 24.428 -2.412 -4.442 651 H LYS 81 H LYS 81 29.822 0.404 -6.756 652 HA LYS 81 HA LYS 81 29.017 1.543 -9.400 653 1HB LYS 81 1HB LYS 81 31.722 0.175 -8.860 654 2HB LYS 81 2HB LYS 81 31.144 0.780 -10.406 655 1HG LYS 81 1HG LYS 81 31.125 3.157 -9.127 656 2HG LYS 81 2HG LYS 81 32.271 2.265 -8.045 657 1HD LYS 81 1HD LYS 81 33.764 3.170 -9.686 658 2HD LYS 81 2HD LYS 81 33.372 1.587 -10.363 659 1HE LYS 81 1HE LYS 81 31.890 4.193 -11.170 660 2HE LYS 81 2HE LYS 81 33.313 3.530 -11.993 661 1HZ LYS 81 1HZ LYS 81 32.017 1.582 -12.599 662 2HZ LYS 81 2HZ LYS 81 31.249 2.994 -13.061 663 3HZ LYS 81 3HZ LYS 81 30.716 2.099 -11.706 664 H CYS 82 H CYS 82 28.169 -0.084 -10.637 665 HA CYS 82 HA CYS 82 28.751 -2.900 -10.223 666 1HB CYS 82 1HB CYS 82 26.593 -3.540 -9.188 667 2HB CYS 82 2HB CYS 82 27.409 -2.412 -8.139 668 HG CYS 82 HG CYS 82 26.225 -0.268 -9.105 669 H MET 83 H MET 83 27.463 -4.242 -11.590 670 HA MET 83 HA MET 83 26.172 -2.766 -13.864 671 1HB MET 83 1HB MET 83 27.139 -5.665 -13.695 672 2HB MET 83 2HB MET 83 26.678 -4.769 -15.167 673 1HG MET 83 1HG MET 83 28.771 -3.244 -14.176 674 2HG MET 83 2HG MET 83 29.348 -4.876 -13.769 675 1HE MET 83 1HE MET 83 29.943 -2.248 -16.742 676 2HE MET 83 2HE MET 83 31.213 -3.434 -17.047 677 3HE MET 83 3HE MET 83 30.838 -2.893 -15.360 678 H THR 84 H THR 84 24.103 -2.699 -13.331 679 HA THR 84 HA THR 84 22.961 -4.888 -11.697 680 HB THR 84 HB THR 84 22.346 -2.059 -12.104 681 HG1 THR 84 HG1 THR 84 23.420 -3.674 -10.283 682 1HG2 THR 84 1HG2 THR 84 20.206 -2.531 -10.684 683 2HG2 THR 84 2HG2 THR 84 20.535 -4.278 -10.889 684 3HG2 THR 84 3HG2 THR 84 20.111 -3.267 -12.273 685 H THR 85 H THR 85 21.999 -6.419 -12.815 686 HA THR 85 HA THR 85 20.404 -5.708 -15.239 687 HB THR 85 HB THR 85 21.115 -8.504 -14.169 688 HG1 THR 85 HG1 THR 85 22.934 -6.998 -14.913 689 1HG2 THR 85 1HG2 THR 85 19.618 -7.346 -16.471 690 2HG2 THR 85 2HG2 THR 85 19.605 -9.003 -15.926 691 3HG2 THR 85 3HG2 THR 85 20.862 -8.501 -17.069 692 H VAL 86 H VAL 86 18.349 -5.440 -14.855 693 HA VAL 86 HA VAL 86 17.119 -6.727 -12.500 694 HB VAL 86 HB VAL 86 15.845 -4.918 -14.689 695 1HG1 VAL 86 1HG1 VAL 86 14.015 -5.951 -13.700 696 2HG1 VAL 86 2HG1 VAL 86 14.233 -4.611 -12.544 697 3HG1 VAL 86 3HG1 VAL 86 14.855 -6.238 -12.157 698 1HG2 VAL 86 1HG2 VAL 86 16.644 -3.037 -13.439 699 2HG2 VAL 86 2HG2 VAL 86 17.682 -4.187 -12.582 700 3HG2 VAL 86 3HG2 VAL 86 16.054 -3.761 -11.963 701 H SER 87 H SER 87 15.558 -8.250 -12.630 702 HA SER 87 HA SER 87 14.586 -9.221 -15.227 703 1HB SER 87 1HB SER 87 16.860 -10.286 -15.225 704 2HB SER 87 2HB SER 87 16.477 -11.005 -13.628 705 HG SER 87 HG SER 87 16.148 -12.258 -15.615 706 H TRP 88 H TRP 88 12.699 -10.264 -14.993 707 HA TRP 88 HA TRP 88 11.804 -10.719 -12.226 708 1HB TRP 88 1HB TRP 88 9.770 -11.783 -13.784 709 2HB TRP 88 2HB TRP 88 9.860 -10.150 -13.132 710 HD1 TRP 88 HD1 TRP 88 10.292 -8.097 -14.901 711 HE1 TRP 88 HE1 TRP 88 10.140 -8.023 -17.414 712 HE3 TRP 88 HE3 TRP 88 10.219 -13.196 -15.986 713 HZ2 TRP 88 HZ2 TRP 88 10.004 -9.719 -19.648 714 HZ3 TRP 88 HZ3 TRP 88 10.078 -13.827 -18.315 715 HH2 TRP 88 HH2 TRP 88 9.959 -12.084 -20.196 716 H ASP 89 H ASP 89 11.863 -12.592 -11.147 717 HA ASP 89 HA ASP 89 12.975 -14.891 -12.486 718 1HB ASP 89 1HB ASP 89 13.585 -14.777 -10.134 719 2HB ASP 89 2HB ASP 89 12.001 -14.121 -9.675 720 H GLY 90 H GLY 90 9.945 -13.459 -11.330 721 1HA GLY 90 1HA GLY 90 8.189 -14.406 -13.245 722 2HA GLY 90 2HA GLY 90 8.270 -15.734 -11.957 723 H ASP 91 H ASP 91 7.987 -15.012 -9.691 724 HA ASP 91 HA ASP 91 5.898 -12.864 -9.668 725 1HB ASP 91 1HB ASP 91 6.300 -15.305 -8.041 726 2HB ASP 91 2HB ASP 91 5.407 -13.885 -7.385 727 H LYS 92 H LYS 92 9.091 -13.080 -9.297 728 HA LYS 92 HA LYS 92 9.106 -11.110 -7.027 729 1HB LYS 92 1HB LYS 92 10.932 -13.539 -7.367 730 2HB LYS 92 2HB LYS 92 11.552 -12.086 -6.634 731 1HG LYS 92 1HG LYS 92 10.630 -12.830 -4.655 732 2HG LYS 92 2HG LYS 92 9.057 -12.438 -5.357 733 1HD LYS 92 1HD LYS 92 8.451 -14.603 -5.547 734 2HD LYS 92 2HD LYS 92 9.927 -15.052 -6.367 735 1HE LYS 92 1HE LYS 92 10.775 -15.956 -4.468 736 2HE LYS 92 2HE LYS 92 10.545 -14.488 -3.542 737 1HZ LYS 92 1HZ LYS 92 8.066 -15.170 -3.502 738 2HZ LYS 92 2HZ LYS 92 9.139 -15.872 -2.441 739 3HZ LYS 92 3HZ LYS 92 8.633 -16.697 -3.840 740 H LEU 93 H LEU 93 9.934 -9.246 -7.736 741 HA LEU 93 HA LEU 93 11.385 -9.175 -10.312 742 1HB LEU 93 1HB LEU 93 9.641 -7.437 -9.173 743 2HB LEU 93 2HB LEU 93 11.117 -6.780 -8.525 744 HG LEU 93 HG LEU 93 10.218 -6.973 -11.444 745 1HD1 LEU 93 1HD1 LEU 93 10.363 -4.892 -9.470 746 2HD1 LEU 93 2HD1 LEU 93 9.728 -4.760 -11.111 747 3HD1 LEU 93 3HD1 LEU 93 11.445 -4.480 -10.846 748 1HD2 LEU 93 1HD2 LEU 93 12.409 -6.526 -12.271 749 2HD2 LEU 93 2HD2 LEU 93 12.684 -7.808 -11.060 750 3HD2 LEU 93 3HD2 LEU 93 13.047 -6.142 -10.653 751 H GLN 94 H GLN 94 13.097 -10.500 -9.601 752 HA GLN 94 HA GLN 94 14.803 -9.589 -7.353 753 1HB GLN 94 1HB GLN 94 15.911 -11.573 -9.226 754 2HB GLN 94 2HB GLN 94 15.912 -11.483 -7.477 755 1HG GLN 94 1HG GLN 94 13.251 -11.966 -7.919 756 2HG GLN 94 2HG GLN 94 13.918 -12.717 -9.349 757 1HE2 GLN 94 1HE2 GLN 94 15.516 -14.461 -9.134 758 2HE2 GLN 94 2HE2 GLN 94 15.579 -15.367 -7.639 759 H CYS 95 H CYS 95 16.675 -8.579 -7.432 760 HA CYS 95 HA CYS 95 17.845 -7.990 -10.151 761 1HB CYS 95 1HB CYS 95 17.130 -5.850 -9.821 762 2HB CYS 95 2HB CYS 95 16.776 -6.131 -8.113 763 HG CYS 95 HG CYS 95 19.045 -5.531 -7.157 764 H VAL 96 H VAL 96 19.971 -7.868 -10.273 765 HA VAL 96 HA VAL 96 21.583 -8.639 -7.848 766 HB VAL 96 HB VAL 96 21.292 -10.455 -9.623 767 1HG1 VAL 96 1HG1 VAL 96 23.423 -8.955 -11.194 768 2HG1 VAL 96 2HG1 VAL 96 21.672 -8.668 -11.475 769 3HG1 VAL 96 3HG1 VAL 96 22.363 -10.280 -11.707 770 1HG2 VAL 96 1HG2 VAL 96 23.806 -11.067 -9.295 771 2HG2 VAL 96 2HG2 VAL 96 23.043 -10.473 -7.825 772 3HG2 VAL 96 3HG2 VAL 96 24.121 -9.414 -8.788 773 H GLN 97 H GLN 97 23.449 -7.468 -7.594 774 HA GLN 97 HA GLN 97 24.223 -5.492 -9.655 775 1HB GLN 97 1HB GLN 97 24.089 -3.619 -8.036 776 2HB GLN 97 2HB GLN 97 22.532 -4.289 -8.422 777 1HG GLN 97 1HG GLN 97 22.840 -5.689 -6.195 778 2HG GLN 97 2HG GLN 97 24.139 -4.553 -5.838 779 1HE2 GLN 97 1HE2 GLN 97 21.523 -4.948 -4.447 780 2HE2 GLN 97 2HE2 GLN 97 20.677 -3.433 -4.468 781 H LYS 98 H LYS 98 26.173 -6.580 -9.811 782 HA LYS 98 HA LYS 98 27.786 -7.580 -7.639 783 1HB LYS 98 1HB LYS 98 28.117 -8.250 -9.873 784 2HB LYS 98 2HB LYS 98 28.618 -6.603 -10.364 785 1HG LYS 98 1HG LYS 98 30.723 -7.051 -9.901 786 2HG LYS 98 2HG LYS 98 30.282 -7.355 -8.208 787 1HD LYS 98 1HD LYS 98 31.074 -9.484 -8.670 788 2HD LYS 98 2HD LYS 98 29.396 -9.661 -9.197 789 1HE LYS 98 1HE LYS 98 30.156 -9.193 -11.566 790 2HE LYS 98 2HE LYS 98 31.862 -9.090 -10.992 791 1HZ LYS 98 1HZ LYS 98 32.049 -11.224 -11.040 792 2HZ LYS 98 2HZ LYS 98 30.580 -11.294 -11.841 793 3HZ LYS 98 3HZ LYS 98 30.621 -11.497 -10.147 794 H GLY 99 H GLY 99 28.651 -6.576 -6.032 795 1HA GLY 99 1HA GLY 99 29.922 -3.878 -6.485 796 2HA GLY 99 2HA GLY 99 28.853 -4.115 -5.121 797 H GLU 100 H GLU 100 30.724 -3.531 -3.851 798 HA GLU 100 HA GLU 100 32.944 -5.445 -3.858 799 1HB GLU 100 1HB GLU 100 32.709 -3.091 -2.032 800 2HB GLU 100 2HB GLU 100 34.135 -4.008 -2.602 801 1HG GLU 100 1HG GLU 100 33.594 -3.272 -4.954 802 2HG GLU 100 2HG GLU 100 32.358 -2.202 -4.347 803 H LYS 101 H LYS 101 29.956 -5.727 -2.367 804 HA LYS 101 HA LYS 101 31.098 -6.707 0.240 805 1HB LYS 101 1HB LYS 101 28.224 -6.363 -0.322 806 2HB LYS 101 2HB LYS 101 29.107 -6.355 1.203 807 1HG LYS 101 1HG LYS 101 29.382 -4.135 -0.843 808 2HG LYS 101 2HG LYS 101 28.342 -4.075 0.623 809 1HD LYS 101 1HD LYS 101 30.686 -4.891 1.685 810 2HD LYS 101 2HD LYS 101 31.287 -3.939 0.289 811 1HE LYS 101 1HE LYS 101 30.571 -1.923 1.236 812 2HE LYS 101 2HE LYS 101 29.168 -2.722 2.080 813 1HZ LYS 101 1HZ LYS 101 30.517 -3.220 3.840 814 2HZ LYS 101 2HZ LYS 101 31.322 -1.882 3.280 815 3HZ LYS 101 3HZ LYS 101 31.903 -3.429 2.867 816 H GLU 102 H GLU 102 29.501 -8.352 1.157 817 HA GLU 102 HA GLU 102 29.877 -10.927 -0.112 818 1HB GLU 102 1HB GLU 102 28.148 -9.951 2.163 819 2HB GLU 102 2HB GLU 102 28.064 -11.603 1.599 820 1HG GLU 102 1HG GLU 102 29.640 -11.306 3.612 821 2HG GLU 102 2HG GLU 102 30.411 -12.007 2.159 822 H GLY 103 H GLY 103 26.873 -9.144 0.804 823 1HA GLY 103 1HA GLY 103 25.625 -10.220 -1.721 824 2HA GLY 103 2HA GLY 103 24.832 -10.548 -0.271 825 H ARG 104 H ARG 104 24.513 -8.694 -2.809 826 HA ARG 104 HA ARG 104 22.950 -6.571 -1.402 827 1HB ARG 104 1HB ARG 104 24.508 -5.920 -3.808 828 2HB ARG 104 2HB ARG 104 23.746 -4.828 -2.663 829 1HG ARG 104 1HG ARG 104 25.582 -4.822 -1.253 830 2HG ARG 104 2HG ARG 104 25.893 -6.563 -1.480 831 1HD ARG 104 1HD ARG 104 26.775 -4.258 -3.253 832 2HD ARG 104 2HD ARG 104 27.767 -5.425 -2.415 833 HE ARG 104 HE ARG 104 26.389 -5.842 -4.956 834 1HH1 ARG 104 1HH1 ARG 104 27.795 -7.437 -2.060 835 2HH1 ARG 104 2HH1 ARG 104 28.035 -8.929 -2.926 836 1HH2 ARG 104 1HH2 ARG 104 26.732 -7.772 -5.943 837 2HH2 ARG 104 2HH2 ARG 104 27.421 -9.163 -5.189 838 H GLY 105 H GLY 105 20.928 -6.544 -2.314 839 1HA GLY 105 1HA GLY 105 20.450 -6.549 -5.111 840 2HA GLY 105 2HA GLY 105 20.228 -8.211 -4.537 841 H TRP 106 H TRP 106 18.087 -6.654 -5.545 842 HA TRP 106 HA TRP 106 16.435 -6.132 -3.092 843 1HB TRP 106 1HB TRP 106 15.949 -4.961 -5.829 844 2HB TRP 106 2HB TRP 106 15.061 -4.707 -4.347 845 HD1 TRP 106 HD1 TRP 106 18.181 -4.518 -2.752 846 HE1 TRP 106 HE1 TRP 106 19.305 -2.256 -2.751 847 HE3 TRP 106 HE3 TRP 106 15.515 -2.379 -6.610 848 HZ2 TRP 106 HZ2 TRP 106 19.090 0.213 -4.251 849 HZ3 TRP 106 HZ3 TRP 106 16.047 -0.047 -7.252 850 HH2 TRP 106 HH2 TRP 106 17.859 1.229 -6.039 851 H THR 107 H THR 107 15.379 -8.041 -2.774 852 HA THR 107 HA THR 107 14.326 -9.488 -5.142 853 HB THR 107 HB THR 107 14.184 -10.303 -2.192 854 HG1 THR 107 HG1 THR 107 16.278 -10.012 -2.750 855 1HG2 THR 107 1HG2 THR 107 14.151 -12.633 -3.312 856 2HG2 THR 107 2HG2 THR 107 13.959 -11.839 -4.903 857 3HG2 THR 107 3HG2 THR 107 12.710 -11.703 -3.618 858 H GLN 108 H GLN 108 12.689 -7.641 -5.417 859 HA GLN 108 HA GLN 108 10.728 -7.086 -3.375 860 1HB GLN 108 1HB GLN 108 11.091 -6.535 -6.349 861 2HB GLN 108 2HB GLN 108 9.577 -6.191 -5.675 862 1HG GLN 108 1HG GLN 108 10.493 -4.116 -5.439 863 2HG GLN 108 2HG GLN 108 11.006 -4.749 -3.881 864 1HE2 GLN 108 1HE2 GLN 108 12.396 -2.638 -4.833 865 2HE2 GLN 108 2HE2 GLN 108 13.945 -3.142 -5.426 866 H TRP 109 H TRP 109 9.315 -8.587 -2.761 867 HA TRP 109 HA TRP 109 8.182 -10.456 -4.771 868 1HB TRP 109 1HB TRP 109 9.396 -11.718 -3.195 869 2HB TRP 109 2HB TRP 109 8.824 -10.741 -1.861 870 HD1 TRP 109 HD1 TRP 109 5.871 -11.805 -3.970 871 HE1 TRP 109 HE1 TRP 109 4.581 -13.717 -2.940 872 HE3 TRP 109 HE3 TRP 109 9.273 -13.109 -0.387 873 HZ2 TRP 109 HZ2 TRP 109 4.962 -15.564 -0.853 874 HZ3 TRP 109 HZ3 TRP 109 8.745 -14.983 1.125 875 HH2 TRP 109 HH2 TRP 109 6.594 -16.222 0.891 876 H ILE 110 H ILE 110 6.318 -9.761 -5.404 877 HA ILE 110 HA ILE 110 4.594 -8.005 -3.846 878 HB ILE 110 HB ILE 110 4.614 -9.211 -6.533 879 1HG1 ILE 110 1HG1 ILE 110 3.956 -6.439 -5.486 880 2HG1 ILE 110 2HG1 ILE 110 5.614 -7.029 -5.611 881 1HG2 ILE 110 1HG2 ILE 110 2.132 -8.146 -5.069 882 2HG2 ILE 110 2HG2 ILE 110 2.258 -9.645 -6.028 883 3HG2 ILE 110 3HG2 ILE 110 2.249 -8.108 -6.866 884 1HD1 ILE 110 1HD1 ILE 110 3.639 -6.302 -7.837 885 2HD1 ILE 110 2HD1 ILE 110 4.834 -7.568 -8.170 886 3HD1 ILE 110 3HD1 ILE 110 5.368 -5.941 -7.710 887 H GLU 111 H GLU 111 2.546 -8.340 -2.997 888 HA GLU 111 HA GLU 111 1.569 -11.145 -2.776 889 1HB GLU 111 1HB GLU 111 2.205 -9.067 -0.733 890 2HB GLU 111 2HB GLU 111 0.734 -9.974 -0.412 891 1HG GLU 111 1HG GLU 111 1.954 -11.643 0.450 892 2HG GLU 111 2HG GLU 111 2.765 -11.874 -1.122 893 H GLY 112 H GLY 112 0.660 -9.782 -4.779 894 1HA GLY 112 1HA GLY 112 -1.231 -8.938 -5.842 895 2HA GLY 112 2HA GLY 112 -2.104 -9.221 -4.299 896 H ASP 113 H ASP 113 -2.331 -7.490 -2.876 897 HA ASP 113 HA ASP 113 -1.926 -4.735 -3.961 898 1HB ASP 113 1HB ASP 113 -3.179 -5.539 -1.318 899 2HB ASP 113 2HB ASP 113 -3.528 -4.132 -2.311 900 H GLU 114 H GLU 114 0.412 -6.382 -2.975 901 HA GLU 114 HA GLU 114 1.492 -4.332 -1.123 902 1HB GLU 114 1HB GLU 114 0.898 -7.115 -0.467 903 2HB GLU 114 2HB GLU 114 2.508 -6.579 0.006 904 1HG GLU 114 1HG GLU 114 1.416 -4.646 1.288 905 2HG GLU 114 2HG GLU 114 -0.148 -5.345 0.884 906 H LEU 115 H LEU 115 3.727 -4.576 -0.767 907 HA LEU 115 HA LEU 115 5.291 -6.240 -2.731 908 1HB LEU 115 1HB LEU 115 4.862 -3.574 -3.197 909 2HB LEU 115 2HB LEU 115 6.127 -3.438 -2.013 910 HG LEU 115 HG LEU 115 6.423 -5.142 -4.504 911 1HD1 LEU 115 1HD1 LEU 115 6.019 -2.317 -4.443 912 2HD1 LEU 115 2HD1 LEU 115 6.368 -3.394 -5.841 913 3HD1 LEU 115 3HD1 LEU 115 7.667 -2.606 -4.968 914 1HD2 LEU 115 1HD2 LEU 115 8.914 -4.500 -4.032 915 2HD2 LEU 115 2HD2 LEU 115 8.138 -5.374 -2.684 916 3HD2 LEU 115 3HD2 LEU 115 8.359 -3.632 -2.573 917 H HIS 116 H HIS 116 6.252 -7.607 -1.419 918 HA HIS 116 HA HIS 116 7.289 -6.622 1.231 919 1HB HIS 116 1HB HIS 116 5.768 -8.616 1.134 920 2HB HIS 116 2HB HIS 116 7.033 -9.442 0.200 921 HD1 HIS 116 HD1 HIS 116 9.026 -7.525 2.394 922 HD2 HIS 116 HD2 HIS 116 6.594 -10.961 2.860 923 HE1 HIS 116 HE1 HIS 116 9.810 -8.755 4.494 924 HE2 HIS 116 HE2 HIS 116 8.386 -10.806 4.788 925 H LEU 117 H LEU 117 9.190 -5.660 0.623 926 HA LEU 117 HA LEU 117 10.961 -7.057 -1.297 927 1HB LEU 117 1HB LEU 117 10.469 -4.708 -1.667 928 2HB LEU 117 2HB LEU 117 10.773 -4.315 -0.066 929 HG LEU 117 HG LEU 117 13.191 -4.594 -0.259 930 1HD1 LEU 117 1HD1 LEU 117 13.792 -6.307 -1.640 931 2HD1 LEU 117 2HD1 LEU 117 13.796 -5.114 -2.938 932 3HD1 LEU 117 3HD1 LEU 117 12.375 -6.137 -2.699 933 1HD2 LEU 117 1HD2 LEU 117 11.779 -2.541 -1.546 934 2HD2 LEU 117 2HD2 LEU 117 12.791 -3.205 -2.867 935 3HD2 LEU 117 3HD2 LEU 117 13.543 -2.616 -1.386 936 H GLU 118 H GLU 118 12.675 -8.270 -0.549 937 HA GLU 118 HA GLU 118 13.571 -7.832 2.258 938 1HB GLU 118 1HB GLU 118 13.936 -10.169 0.349 939 2HB GLU 118 2HB GLU 118 14.884 -9.977 1.830 940 1HG GLU 118 1HG GLU 118 12.941 -10.021 3.199 941 2HG GLU 118 2HG GLU 118 11.829 -9.730 1.854 942 H MET 119 H MET 119 14.522 -5.819 1.522 943 HA MET 119 HA MET 119 16.620 -5.705 -0.348 944 1HB MET 119 1HB MET 119 15.485 -3.778 1.070 945 2HB MET 119 2HB MET 119 16.761 -4.126 2.248 946 1HG MET 119 1HG MET 119 18.483 -3.519 0.764 947 2HG MET 119 2HG MET 119 17.411 -3.621 -0.680 948 1HE MET 119 1HE MET 119 18.038 -2.035 2.741 949 2HE MET 119 2HE MET 119 16.262 -1.999 2.741 950 3HE MET 119 3HE MET 119 17.145 -0.460 2.725 951 H ARG 120 H ARG 120 18.796 -6.097 -0.184 952 HA ARG 120 HA ARG 120 19.875 -7.478 2.262 953 1HB ARG 120 1HB ARG 120 19.265 -8.975 0.369 954 2HB ARG 120 2HB ARG 120 20.353 -8.102 -0.657 955 1HG ARG 120 1HG ARG 120 21.712 -9.784 -0.129 956 2HG ARG 120 2HG ARG 120 22.193 -8.770 1.213 957 1HD ARG 120 1HD ARG 120 20.965 -10.068 2.749 958 2HD ARG 120 2HD ARG 120 19.842 -10.726 1.507 959 HE ARG 120 HE ARG 120 22.668 -11.414 1.157 960 1HH1 ARG 120 1HH1 ARG 120 19.513 -12.513 2.432 961 2HH1 ARG 120 2HH1 ARG 120 19.972 -14.166 2.432 962 1HH2 ARG 120 1HH2 ARG 120 23.182 -13.543 1.153 963 2HH2 ARG 120 2HH2 ARG 120 22.039 -14.780 1.683 964 H ALA 121 H ALA 121 22.101 -7.208 2.559 965 HA ALA 121 HA ALA 121 23.838 -5.709 0.909 966 1HB ALA 121 1HB ALA 121 22.000 -3.919 2.025 967 2HB ALA 121 2HB ALA 121 23.552 -3.547 1.286 968 3HB ALA 121 3HB ALA 121 23.451 -3.762 3.067 969 H GLU 122 H GLU 122 25.646 -6.501 1.517 970 HA GLU 122 HA GLU 122 27.372 -7.520 2.696 971 1HB GLU 122 1HB GLU 122 26.922 -4.999 3.716 972 2HB GLU 122 2HB GLU 122 27.053 -5.973 5.154 973 1HG GLU 122 1HG GLU 122 29.222 -6.897 3.532 974 2HG GLU 122 2HG GLU 122 29.105 -5.163 3.171 975 H GLY 123 H GLY 123 24.762 -8.850 2.955 976 1HA GLY 123 1HA GLY 123 24.264 -10.862 4.046 977 2HA GLY 123 2HA GLY 123 25.399 -10.518 5.299 978 H VAL 124 H VAL 124 23.782 -7.659 5.044 979 HA VAL 124 HA VAL 124 22.074 -8.398 7.335 980 HB VAL 124 HB VAL 124 22.577 -5.567 6.214 981 1HG1 VAL 124 1HG1 VAL 124 21.779 -4.757 8.443 982 2HG1 VAL 124 2HG1 VAL 124 21.489 -6.454 8.932 983 3HG1 VAL 124 3HG1 VAL 124 20.563 -5.782 7.608 984 1HG2 VAL 124 1HG2 VAL 124 24.359 -5.307 7.816 985 2HG2 VAL 124 2HG2 VAL 124 24.707 -6.887 7.124 986 3HG2 VAL 124 3HG2 VAL 124 23.947 -6.801 8.703 987 H THR 125 H THR 125 20.172 -9.015 6.848 988 HA THR 125 HA THR 125 18.655 -8.135 4.422 989 HB THR 125 HB THR 125 17.977 -10.366 6.278 990 HG1 THR 125 HG1 THR 125 20.005 -10.128 4.444 991 1HG2 THR 125 1HG2 THR 125 17.529 -10.002 3.253 992 2HG2 THR 125 2HG2 THR 125 16.407 -9.315 4.415 993 3HG2 THR 125 3HG2 THR 125 16.687 -11.094 4.376 994 H CYS 126 H CYS 126 17.644 -6.345 4.824 995 HA CYS 126 HA CYS 126 16.008 -5.999 7.318 996 1HB CYS 126 1HB CYS 126 17.020 -3.854 7.125 997 2HB CYS 126 2HB CYS 126 17.467 -4.117 5.451 998 HG CYS 126 HG CYS 126 16.145 -2.321 4.897 999 H LYS 127 H LYS 127 13.760 -5.565 6.984 1000 HA LYS 127 HA LYS 127 12.663 -6.370 4.296 1001 1HB LYS 127 1HB LYS 127 11.110 -6.417 6.837 1002 2HB LYS 127 2HB LYS 127 10.848 -7.285 5.294 1003 1HG LYS 127 1HG LYS 127 12.739 -8.803 5.735 1004 2HG LYS 127 2HG LYS 127 13.256 -7.809 7.100 1005 1HD LYS 127 1HD LYS 127 12.135 -9.445 8.255 1006 2HD LYS 127 2HD LYS 127 10.723 -8.456 7.935 1007 1HE LYS 127 1HE LYS 127 9.885 -9.970 6.353 1008 2HE LYS 127 2HE LYS 127 11.476 -10.339 5.674 1009 1HZ LYS 127 1HZ LYS 127 11.002 -11.324 8.366 1010 2HZ LYS 127 2HZ LYS 127 11.689 -12.065 7.015 1011 3HZ LYS 127 3HZ LYS 127 9.998 -11.982 7.184 1012 H GLN 128 H GLN 128 10.913 -5.179 3.484 1013 HA GLN 128 HA GLN 128 10.070 -2.768 4.956 1014 1HB GLN 128 1HB GLN 128 11.511 -2.842 2.370 1015 2HB GLN 128 2HB GLN 128 10.005 -1.877 2.399 1016 1HG GLN 128 1HG GLN 128 11.150 -1.171 4.782 1017 2HG GLN 128 2HG GLN 128 12.598 -1.411 3.843 1018 1HE2 GLN 128 1HE2 GLN 128 10.967 -0.632 1.214 1019 2HE2 GLN 128 2HE2 GLN 128 10.879 1.081 1.297 1020 H VAL 129 H VAL 129 7.947 -2.946 5.136 1021 HA VAL 129 HA VAL 129 6.418 -4.563 3.132 1022 HB VAL 129 HB VAL 129 5.274 -3.306 5.634 1023 1HG1 VAL 129 1HG1 VAL 129 3.369 -4.036 4.576 1024 2HG1 VAL 129 2HG1 VAL 129 3.900 -5.678 4.954 1025 3HG1 VAL 129 3HG1 VAL 129 4.297 -4.917 3.383 1026 1HG2 VAL 129 1HG2 VAL 129 5.506 -5.743 6.567 1027 2HG2 VAL 129 2HG2 VAL 129 7.065 -4.872 6.388 1028 3HG2 VAL 129 3HG2 VAL 129 6.583 -6.109 5.210 1029 H PHE 130 H PHE 130 5.874 -3.316 1.391 1030 HA PHE 130 HA PHE 130 5.016 -0.520 1.815 1031 1HB PHE 130 1HB PHE 130 5.229 -2.208 -0.732 1032 2HB PHE 130 2HB PHE 130 4.719 -0.551 -0.738 1033 HD1 PHE 130 HD1 PHE 130 7.524 -2.779 -0.577 1034 HD2 PHE 130 HD2 PHE 130 6.436 1.372 -0.166 1035 HE1 PHE 130 HE1 PHE 130 9.866 -2.124 -0.815 1036 HE2 PHE 130 HE2 PHE 130 8.762 2.007 -0.424 1037 HZ PHE 130 HZ PHE 130 10.542 0.294 -0.753 1038 H LYS 131 H LYS 131 3.023 0.016 0.446 1039 HA LYS 131 HA LYS 131 0.922 -2.158 0.494 1040 1HB LYS 131 1HB LYS 131 0.914 -0.917 2.617 1041 2HB LYS 131 2HB LYS 131 0.750 0.618 1.746 1042 1HG LYS 131 1HG LYS 131 -1.400 -0.213 2.692 1043 2HG LYS 131 2HG LYS 131 -1.402 0.134 0.939 1044 1HD LYS 131 1HD LYS 131 -1.139 -2.278 0.405 1045 2HD LYS 131 2HD LYS 131 -0.989 -2.621 2.170 1046 1HE LYS 131 1HE LYS 131 -3.319 -1.750 2.496 1047 2HE LYS 131 2HE LYS 131 -3.440 -1.542 0.717 1048 1HZ LYS 131 1HZ LYS 131 -4.400 -3.648 1.412 1049 2HZ LYS 131 2HZ LYS 131 -2.959 -4.074 2.198 1050 3HZ LYS 131 3HZ LYS 131 -3.003 -3.921 0.508 1051 H LYS 132 H LYS 132 0.003 -2.095 -1.638 1052 HA LYS 132 HA LYS 132 0.625 0.195 -3.325 1053 1HB LYS 132 1HB LYS 132 -0.005 -2.303 -3.879 1054 2HB LYS 132 2HB LYS 132 -1.691 -1.702 -3.865 1055 1HG LYS 132 1HG LYS 132 -0.759 0.179 -5.454 1056 2HG LYS 132 2HG LYS 132 0.608 -0.954 -5.749 1057 1HD LYS 132 1HD LYS 132 -0.977 -1.559 -7.407 1058 2HD LYS 132 2HD LYS 132 -1.192 -2.736 -6.113 1059 1HE LYS 132 1HE LYS 132 -3.215 -1.630 -5.361 1060 2HE LYS 132 2HE LYS 132 -2.852 -0.139 -6.301 1061 1HZ LYS 132 1HZ LYS 132 -3.470 -2.769 -7.491 1062 2HZ LYS 132 2HZ LYS 132 -3.413 -1.267 -8.277 1063 3HZ LYS 132 3HZ LYS 132 -4.618 -1.586 -7.140 1064 H VAL 133 H VAL 133 -0.488 1.898 -3.835 1065 HA VAL 133 HA VAL 133 -3.272 2.269 -2.985 1066 HB VAL 133 HB VAL 133 -2.635 4.525 -1.846 1067 1HG1 VAL 133 1HG1 VAL 133 -2.887 3.434 0.325 1068 2HG1 VAL 133 2HG1 VAL 133 -2.506 1.855 -0.343 1069 3HG1 VAL 133 3HG1 VAL 133 -4.004 2.715 -0.829 1070 1HG2 VAL 133 1HG2 VAL 133 -0.488 3.173 -0.382 1071 2HG2 VAL 133 2HG2 VAL 133 -0.507 4.781 -1.079 1072 3HG2 VAL 133 3HG2 VAL 133 -0.027 3.414 -2.091 1073 H HIS 134 H HIS 134 -2.620 2.143 -5.526 1074 HA HIS 134 HA HIS 134 -1.751 4.740 -6.584 1075 1HB HIS 134 1HB HIS 134 -1.554 3.731 -8.428 1076 2HB HIS 134 2HB HIS 134 -1.740 2.231 -7.515 1077 HD1 HIS 134 HD1 HIS 134 -3.814 0.910 -7.671 1078 HD2 HIS 134 HD2 HIS 134 -3.859 4.453 -9.947 1079 HE1 HIS 134 HE1 HIS 134 -5.865 0.738 -9.213 1080 HE2 HIS 134 HE2 HIS 134 -5.893 2.912 -10.618 Start of MODEL 6 1 1H PRO 1 1H PRO 1 -0.346 -11.275 -13.805 2 2H PRO 1 2H PRO 1 -1.076 -10.263 -14.882 3 HA PRO 1 HA PRO 1 -2.113 -9.045 -13.286 4 1HB PRO 1 1HB PRO 1 -1.752 -11.286 -11.229 5 2HB PRO 1 2HB PRO 1 -3.103 -10.066 -11.421 6 1HG PRO 1 1HG PRO 1 -2.936 -12.699 -12.526 7 2HG PRO 1 2HG PRO 1 -4.158 -11.486 -12.866 8 1HD PRO 1 1HD PRO 1 -2.291 -12.393 -14.802 9 2HD PRO 1 2HD PRO 1 -3.127 -10.846 -14.919 10 H VAL 2 H VAL 2 0.791 -9.526 -13.931 11 HA VAL 2 HA VAL 2 2.100 -8.847 -11.345 12 HB VAL 2 HB VAL 2 2.940 -10.887 -12.468 13 1HG1 VAL 2 1HG1 VAL 2 2.931 -9.138 -14.881 14 2HG1 VAL 2 2HG1 VAL 2 2.756 -10.904 -14.717 15 3HG1 VAL 2 3HG1 VAL 2 4.361 -10.196 -14.735 16 1HG2 VAL 2 1HG2 VAL 2 4.546 -8.931 -11.370 17 2HG2 VAL 2 2HG2 VAL 2 5.252 -9.105 -13.014 18 3HG2 VAL 2 3HG2 VAL 2 5.148 -10.479 -11.929 19 H ASP 3 H ASP 3 0.950 -6.725 -12.050 20 HA ASP 3 HA ASP 3 2.803 -5.083 -13.770 21 1HB ASP 3 1HB ASP 3 0.893 -3.404 -13.660 22 2HB ASP 3 2HB ASP 3 0.778 -4.803 -14.789 23 H PHE 4 H PHE 4 3.922 -3.503 -12.800 24 HA PHE 4 HA PHE 4 3.575 -3.050 -9.910 25 1HB PHE 4 1HB PHE 4 5.735 -2.207 -11.785 26 2HB PHE 4 2HB PHE 4 5.759 -1.892 -10.048 27 HD1 PHE 4 HD1 PHE 4 6.306 -4.569 -12.560 28 HD2 PHE 4 HD2 PHE 4 5.837 -3.687 -8.370 29 HE1 PHE 4 HE1 PHE 4 7.249 -6.742 -11.990 30 HE2 PHE 4 HE2 PHE 4 6.767 -5.850 -7.848 31 HZ PHE 4 HZ PHE 4 7.493 -7.441 -9.602 32 H ASN 5 H ASN 5 2.776 -1.251 -12.778 33 HA ASN 5 HA ASN 5 3.136 1.454 -12.025 34 1HB ASN 5 1HB ASN 5 0.992 0.116 -13.641 35 2HB ASN 5 2HB ASN 5 1.157 1.873 -13.469 36 1HD2 ASN 5 1HD2 ASN 5 2.446 2.943 -14.752 37 2HD2 ASN 5 2HD2 ASN 5 3.634 2.248 -15.840 38 H GLY 6 H GLY 6 2.562 2.422 -10.240 39 1HA GLY 6 1HA GLY 6 -0.222 2.738 -9.561 40 2HA GLY 6 2HA GLY 6 0.393 1.531 -8.514 41 H TYR 7 H TYR 7 1.292 2.140 -6.702 42 HA TYR 7 HA TYR 7 2.869 4.339 -6.022 43 1HB TYR 7 1HB TYR 7 -0.033 5.055 -6.325 44 2HB TYR 7 2HB TYR 7 0.454 5.163 -4.632 45 HD1 TYR 7 HD1 TYR 7 0.519 6.930 -7.837 46 HD2 TYR 7 HD2 TYR 7 2.564 6.456 -4.096 47 HE1 TYR 7 HE1 TYR 7 1.609 9.079 -8.157 48 HE2 TYR 7 HE2 TYR 7 3.679 8.617 -4.408 49 HH TYR 7 HH TYR 7 3.868 10.140 -7.288 50 H TRP 8 H TRP 8 3.771 2.770 -4.919 51 HA TRP 8 HA TRP 8 2.109 1.251 -2.933 52 1HB TRP 8 1HB TRP 8 5.085 0.933 -3.250 53 2HB TRP 8 2HB TRP 8 3.848 -0.185 -2.624 54 HD1 TRP 8 HD1 TRP 8 4.945 1.250 -6.103 55 HE1 TRP 8 HE1 TRP 8 4.304 -0.448 -7.946 56 HE3 TRP 8 HE3 TRP 8 2.485 -2.172 -3.149 57 HZ2 TRP 8 HZ2 TRP 8 2.933 -2.929 -8.109 58 HZ3 TRP 8 HZ3 TRP 8 1.534 -4.182 -4.228 59 HH2 TRP 8 HH2 TRP 8 1.772 -4.532 -6.711 60 H LYS 9 H LYS 9 1.702 2.446 -1.070 61 HA LYS 9 HA LYS 9 3.679 4.307 -0.084 62 1HB LYS 9 1HB LYS 9 2.345 4.727 1.726 63 2HB LYS 9 2HB LYS 9 1.215 4.471 0.378 64 1HG LYS 9 1HG LYS 9 0.085 2.987 1.624 65 2HG LYS 9 2HG LYS 9 1.513 1.944 1.527 66 1HD LYS 9 1HD LYS 9 1.969 2.271 3.706 67 2HD LYS 9 2HD LYS 9 2.009 4.045 3.490 68 1HE LYS 9 1HE LYS 9 0.355 3.362 5.190 69 2HE LYS 9 2HE LYS 9 -0.465 4.180 3.798 70 1HZ LYS 9 1HZ LYS 9 -1.226 2.087 3.043 71 2HZ LYS 9 2HZ LYS 9 -1.429 2.001 4.714 72 3HZ LYS 9 3HZ LYS 9 -0.134 1.225 3.991 73 H MET 10 H MET 10 3.759 3.709 2.672 74 HA MET 10 HA MET 10 5.329 1.148 2.684 75 1HB MET 10 1HB MET 10 6.607 2.635 4.548 76 2HB MET 10 2HB MET 10 7.163 2.262 2.927 77 1HG MET 10 1HG MET 10 7.338 4.638 3.097 78 2HG MET 10 2HG MET 10 5.896 4.421 2.162 79 1HE MET 10 1HE MET 10 4.845 6.268 2.329 80 2HE MET 10 2HE MET 10 4.593 7.361 3.759 81 3HE MET 10 3HE MET 10 3.420 6.048 3.346 82 H LEU 11 H LEU 11 4.986 -0.152 4.357 83 HA LEU 11 HA LEU 11 3.051 0.750 6.430 84 1HB LEU 11 1HB LEU 11 3.450 -1.643 4.911 85 2HB LEU 11 2HB LEU 11 4.017 -2.102 6.403 86 HG LEU 11 HG LEU 11 1.597 -1.055 7.235 87 1HD1 LEU 11 1HD1 LEU 11 1.357 -1.670 4.276 88 2HD1 LEU 11 2HD1 LEU 11 0.775 -0.285 5.206 89 3HD1 LEU 11 3HD1 LEU 11 -0.031 -1.869 5.376 90 1HD2 LEU 11 1HD2 LEU 11 0.702 -3.516 6.821 91 2HD2 LEU 11 2HD2 LEU 11 2.264 -3.392 7.689 92 3HD2 LEU 11 3HD2 LEU 11 2.227 -3.822 5.992 93 H SER 12 H SER 12 5.881 -1.428 6.201 94 HA SER 12 HA SER 12 6.970 -0.300 8.733 95 1HB SER 12 1HB SER 12 5.935 -2.918 8.365 96 2HB SER 12 2HB SER 12 7.686 -3.037 8.516 97 HG SER 12 HG SER 12 5.763 -2.119 10.334 98 H ASN 13 H ASN 13 9.245 -1.214 9.126 99 HA ASN 13 HA ASN 13 10.835 -1.609 6.664 100 1HB ASN 13 1HB ASN 13 12.381 0.211 7.211 101 2HB ASN 13 2HB ASN 13 10.740 0.845 6.957 102 1HD2 ASN 13 1HD2 ASN 13 13.247 1.645 8.535 103 2HD2 ASN 13 2HD2 ASN 13 12.696 1.963 10.130 104 H GLU 14 H GLU 14 13.275 -1.954 7.509 105 HA GLU 14 HA GLU 14 13.351 -2.810 10.345 106 1HB GLU 14 1HB GLU 14 12.472 -4.615 8.642 107 2HB GLU 14 2HB GLU 14 14.234 -4.945 8.646 108 1HG GLU 14 1HG GLU 14 13.323 -6.292 10.392 109 2HG GLU 14 2HG GLU 14 14.005 -4.891 11.238 110 H ASN 15 H ASN 15 15.412 -2.554 11.177 111 HA ASN 15 HA ASN 15 17.644 -2.132 11.290 112 1HB ASN 15 1HB ASN 15 17.318 -4.345 9.405 113 2HB ASN 15 2HB ASN 15 18.931 -3.585 9.482 114 1HD2 ASN 15 1HD2 ASN 15 16.895 -5.942 10.839 115 2HD2 ASN 15 2HD2 ASN 15 17.750 -6.212 12.320 116 H PHE 16 H PHE 16 16.211 -0.166 9.863 117 HA PHE 16 HA PHE 16 17.413 0.466 7.313 118 1HB PHE 16 1HB PHE 16 15.237 1.316 8.599 119 2HB PHE 16 2HB PHE 16 16.312 2.630 9.078 120 HD1 PHE 16 HD1 PHE 16 15.621 4.486 7.794 121 HD2 PHE 16 HD2 PHE 16 16.049 0.653 5.887 122 HE1 PHE 16 HE1 PHE 16 15.174 5.572 5.621 123 HE2 PHE 16 HE2 PHE 16 15.581 1.705 3.694 124 HZ PHE 16 HZ PHE 16 15.164 4.121 3.539 125 H GLU 17 H GLU 17 18.061 1.672 10.662 126 HA GLU 17 HA GLU 17 20.062 3.608 9.837 127 1HB GLU 17 1HB GLU 17 18.731 3.790 11.802 128 2HB GLU 17 2HB GLU 17 19.513 2.346 12.498 129 1HG GLU 17 1HG GLU 17 21.544 4.162 11.604 130 2HG GLU 17 2HG GLU 17 20.444 5.137 12.538 131 H GLU 18 H GLU 18 20.132 0.229 10.903 132 HA GLU 18 HA GLU 18 23.045 0.143 11.182 133 1HB GLU 18 1HB GLU 18 21.291 -1.320 12.432 134 2HB GLU 18 2HB GLU 18 21.229 -2.217 10.876 135 1HG GLU 18 1HG GLU 18 23.881 -2.262 11.058 136 2HG GLU 18 2HG GLU 18 23.594 -1.925 12.743 137 H TYR 19 H TYR 19 20.745 -0.082 8.691 138 HA TYR 19 HA TYR 19 22.326 -1.724 6.851 139 1HB TYR 19 1HB TYR 19 20.258 -1.906 6.202 140 2HB TYR 19 2HB TYR 19 19.789 -0.292 6.798 141 HD1 TYR 19 HD1 TYR 19 22.360 -1.338 4.215 142 HD2 TYR 19 HD2 TYR 19 18.734 0.849 4.983 143 HE1 TYR 19 HE1 TYR 19 22.412 -0.492 1.903 144 HE2 TYR 19 HE2 TYR 19 18.784 1.720 2.674 145 HH TYR 19 HH TYR 19 20.635 2.138 0.941 146 H LEU 20 H LEU 20 21.695 1.828 7.353 147 HA LEU 20 HA LEU 20 23.378 2.633 5.116 148 1HB LEU 20 1HB LEU 20 22.713 4.443 7.394 149 2HB LEU 20 2HB LEU 20 23.076 4.806 5.755 150 HG LEU 20 HG LEU 20 20.426 3.977 6.871 151 1HD1 LEU 20 1HD1 LEU 20 21.422 6.343 6.207 152 2HD1 LEU 20 2HD1 LEU 20 19.738 5.921 5.856 153 3HD1 LEU 20 3HD1 LEU 20 20.928 5.849 4.552 154 1HD2 LEU 20 1HD2 LEU 20 20.965 3.817 3.851 155 2HD2 LEU 20 2HD2 LEU 20 19.614 3.093 4.741 156 3HD2 LEU 20 3HD2 LEU 20 21.188 2.342 4.805 157 H ARG 21 H ARG 21 24.045 1.730 8.415 158 HA ARG 21 HA ARG 21 26.586 3.181 8.556 159 1HB ARG 21 1HB ARG 21 25.561 2.673 10.729 160 2HB ARG 21 2HB ARG 21 25.208 1.019 10.215 161 1HG ARG 21 1HG ARG 21 27.310 0.263 10.852 162 2HG ARG 21 2HG ARG 21 28.088 1.738 10.271 163 1HD ARG 21 1HD ARG 21 26.397 1.842 12.755 164 2HD ARG 21 2HD ARG 21 28.040 1.268 12.879 165 HE ARG 21 HE ARG 21 27.418 3.904 11.645 166 1HH1 ARG 21 1HH1 ARG 21 29.198 2.123 14.116 167 2HH1 ARG 21 2HH1 ARG 21 30.083 3.555 14.600 168 1HH2 ARG 21 1HH2 ARG 21 28.652 5.754 12.310 169 2HH2 ARG 21 2HH2 ARG 21 29.788 5.543 13.572 170 H ALA 22 H ALA 22 25.289 0.165 7.360 171 HA ALA 22 HA ALA 22 27.576 -1.488 7.343 172 1HB ALA 22 1HB ALA 22 26.197 -2.940 6.301 173 2HB ALA 22 2HB ALA 22 25.679 -1.735 5.112 174 3HB ALA 22 3HB ALA 22 24.955 -1.740 6.780 175 H LEU 23 H LEU 23 26.280 0.733 4.715 176 HA LEU 23 HA LEU 23 28.603 0.055 2.983 177 1HB LEU 23 1HB LEU 23 26.679 2.246 2.389 178 2HB LEU 23 2HB LEU 23 27.481 1.165 1.335 179 HG LEU 23 HG LEU 23 25.825 -0.561 2.835 180 1HD1 LEU 23 1HD1 LEU 23 23.776 0.581 3.257 181 2HD1 LEU 23 2HD1 LEU 23 24.059 1.804 1.986 182 3HD1 LEU 23 3HD1 LEU 23 24.950 1.875 3.502 183 1HD2 LEU 23 1HD2 LEU 23 24.780 0.707 0.247 184 2HD2 LEU 23 2HD2 LEU 23 24.828 -1.014 0.688 185 3HD2 LEU 23 3HD2 LEU 23 26.305 -0.157 0.173 186 H ASP 24 H ASP 24 27.991 2.163 5.577 187 HA ASP 24 HA ASP 24 29.360 3.905 6.465 188 1HB ASP 24 1HB ASP 24 31.139 3.853 4.100 189 2HB ASP 24 2HB ASP 24 31.459 4.395 5.741 190 H VAL 25 H VAL 25 27.179 4.134 4.196 191 HA VAL 25 HA VAL 25 27.812 6.391 2.556 192 HB VAL 25 HB VAL 25 25.855 4.890 2.362 193 1HG1 VAL 25 1HG1 VAL 25 23.795 6.094 3.695 194 2HG1 VAL 25 2HG1 VAL 25 25.040 6.248 4.931 195 3HG1 VAL 25 3HG1 VAL 25 24.613 4.643 4.324 196 1HG2 VAL 25 1HG2 VAL 25 26.281 7.455 1.583 197 2HG2 VAL 25 2HG2 VAL 25 24.770 7.749 2.403 198 3HG2 VAL 25 3HG2 VAL 25 24.840 6.540 1.071 199 H ASN 26 H ASN 26 26.977 8.657 2.952 200 HA ASN 26 HA ASN 26 28.069 9.993 5.042 201 1HB ASN 26 1HB ASN 26 26.395 10.561 2.944 202 2HB ASN 26 2HB ASN 26 25.632 11.243 4.404 203 1HD2 ASN 26 1HD2 ASN 26 27.345 12.422 2.034 204 2HD2 ASN 26 2HD2 ASN 26 28.451 13.484 2.872 205 H VAL 27 H VAL 27 27.444 10.826 7.104 206 HA VAL 27 HA VAL 27 25.774 9.170 8.727 207 HB VAL 27 HB VAL 27 27.838 10.370 9.305 208 1HG1 VAL 27 1HG1 VAL 27 26.049 12.694 10.233 209 2HG1 VAL 27 2HG1 VAL 27 26.701 12.698 8.558 210 3HG1 VAL 27 3HG1 VAL 27 27.781 12.709 9.930 211 1HG2 VAL 27 1HG2 VAL 27 25.339 10.051 10.982 212 2HG2 VAL 27 2HG2 VAL 27 26.666 10.996 11.735 213 3HG2 VAL 27 3HG2 VAL 27 26.940 9.333 11.198 214 H ALA 28 H ALA 28 25.228 12.127 6.885 215 HA ALA 28 HA ALA 28 22.974 13.070 8.446 216 1HB ALA 28 1HB ALA 28 23.190 14.916 7.236 217 2HB ALA 28 2HB ALA 28 23.049 13.986 5.682 218 3HB ALA 28 3HB ALA 28 24.617 14.156 6.466 219 H LEU 29 H LEU 29 23.512 10.699 5.937 220 HA LEU 29 HA LEU 29 20.878 10.649 4.829 221 1HB LEU 29 1HB LEU 29 23.292 8.934 4.819 222 2HB LEU 29 2HB LEU 29 21.807 8.134 4.473 223 HG LEU 29 HG LEU 29 23.205 9.005 2.514 224 1HD1 LEU 29 1HD1 LEU 29 20.210 9.243 2.759 225 2HD1 LEU 29 2HD1 LEU 29 21.201 8.233 1.739 226 3HD1 LEU 29 3HD1 LEU 29 20.982 9.910 1.275 227 1HD2 LEU 29 1HD2 LEU 29 22.357 11.647 3.695 228 2HD2 LEU 29 2HD2 LEU 29 22.139 11.469 1.930 229 3HD2 LEU 29 3HD2 LEU 29 23.738 11.266 2.638 230 H ARG 30 H ARG 30 22.565 8.753 7.289 231 HA ARG 30 HA ARG 30 20.485 6.885 7.837 232 1HB ARG 30 1HB ARG 30 22.700 6.289 8.304 233 2HB ARG 30 2HB ARG 30 23.013 7.822 9.136 234 1HG ARG 30 1HG ARG 30 20.916 6.341 10.526 235 2HG ARG 30 2HG ARG 30 22.367 5.328 10.334 236 1HD ARG 30 1HD ARG 30 22.267 8.146 11.513 237 2HD ARG 30 2HD ARG 30 22.306 6.681 12.432 238 HE ARG 30 HE ARG 30 24.545 7.638 10.658 239 1HH1 ARG 30 1HH1 ARG 30 23.513 5.800 13.608 240 2HH1 ARG 30 2HH1 ARG 30 25.150 5.528 14.047 241 1HH2 ARG 30 1HH2 ARG 30 26.685 7.161 11.423 242 2HH2 ARG 30 2HH2 ARG 30 26.835 6.271 12.910 243 H LYS 31 H LYS 31 21.325 10.078 9.050 244 HA LYS 31 HA LYS 31 19.626 10.055 11.441 245 1HB LYS 31 1HB LYS 31 21.578 11.546 11.194 246 2HB LYS 31 2HB LYS 31 20.924 12.275 9.752 247 1HG LYS 31 1HG LYS 31 20.358 13.827 11.421 248 2HG LYS 31 2HG LYS 31 18.831 12.972 11.150 249 1HD LYS 31 1HD LYS 31 20.005 11.381 13.115 250 2HD LYS 31 2HD LYS 31 20.701 12.954 13.510 251 1HE LYS 31 1HE LYS 31 18.738 13.471 14.616 252 2HE LYS 31 2HE LYS 31 17.917 13.452 13.024 253 1HZ LYS 31 1HZ LYS 31 17.749 11.603 15.185 254 2HZ LYS 31 2HZ LYS 31 18.280 10.787 13.815 255 3HZ LYS 31 3HZ LYS 31 16.859 11.669 13.769 256 H ILE 32 H ILE 32 19.359 11.279 8.053 257 HA ILE 32 HA ILE 32 16.684 12.303 8.524 258 HB ILE 32 HB ILE 32 18.471 11.820 6.111 259 1HG1 ILE 32 1HG1 ILE 32 17.414 14.174 7.691 260 2HG1 ILE 32 2HG1 ILE 32 19.085 13.751 7.475 261 1HG2 ILE 32 1HG2 ILE 32 16.667 13.139 4.784 262 2HG2 ILE 32 2HG2 ILE 32 15.521 12.660 6.067 263 3HG2 ILE 32 3HG2 ILE 32 16.361 11.428 5.104 264 1HD1 ILE 32 1HD1 ILE 32 18.846 14.415 4.957 265 2HD1 ILE 32 2HD1 ILE 32 18.544 15.763 6.067 266 3HD1 ILE 32 3HD1 ILE 32 17.193 14.902 5.337 267 H ALA 33 H ALA 33 18.262 9.394 7.485 268 HA ALA 33 HA ALA 33 16.186 8.025 6.124 269 1HB ALA 33 1HB ALA 33 17.990 6.767 6.044 270 2HB ALA 33 2HB ALA 33 17.300 5.960 7.467 271 3HB ALA 33 3HB ALA 33 18.565 7.243 7.685 272 H ASN 34 H ASN 34 16.917 7.762 9.641 273 HA ASN 34 HA ASN 34 14.575 6.362 10.358 274 1HB ASN 34 1HB ASN 34 16.430 6.601 11.800 275 2HB ASN 34 2HB ASN 34 16.126 8.366 11.972 276 1HD2 ASN 34 1HD2 ASN 34 14.110 5.402 12.166 277 2HD2 ASN 34 2HD2 ASN 34 13.335 5.785 13.655 278 H LEU 35 H LEU 35 12.396 7.245 11.239 279 HA LEU 35 HA LEU 35 10.724 8.818 11.313 280 1HB LEU 35 1HB LEU 35 12.480 10.986 10.360 281 2HB LEU 35 2HB LEU 35 10.980 10.994 11.350 282 HG LEU 35 HG LEU 35 12.798 9.395 12.810 283 1HD1 LEU 35 1HD1 LEU 35 14.641 11.417 13.031 284 2HD1 LEU 35 2HD1 LEU 35 14.211 11.587 11.290 285 3HD1 LEU 35 3HD1 LEU 35 14.847 10.050 11.955 286 1HD2 LEU 35 1HD2 LEU 35 11.043 11.349 13.336 287 2HD2 LEU 35 2HD2 LEU 35 12.520 12.381 13.319 288 3HD2 LEU 35 3HD2 LEU 35 12.422 11.043 14.452 289 H LEU 36 H LEU 36 12.790 8.917 8.275 290 HA LEU 36 HA LEU 36 10.352 9.549 6.729 291 1HB LEU 36 1HB LEU 36 13.350 9.672 6.352 292 2HB LEU 36 2HB LEU 36 12.507 9.295 4.953 293 HG LEU 36 HG LEU 36 13.049 11.659 5.155 294 1HD1 LEU 36 1HD1 LEU 36 10.280 10.573 4.772 295 2HD1 LEU 36 2HD1 LEU 36 11.259 11.655 3.712 296 3HD1 LEU 36 3HD1 LEU 36 10.298 12.302 5.047 297 1HD2 LEU 36 1HD2 LEU 36 12.297 12.965 6.994 298 2HD2 LEU 36 2HD2 LEU 36 12.301 11.388 7.850 299 3HD2 LEU 36 3HD2 LEU 36 10.806 12.057 7.129 300 H LYS 37 H LYS 37 9.538 8.146 5.240 301 HA LYS 37 HA LYS 37 10.901 5.500 4.990 302 1HB LYS 37 1HB LYS 37 7.889 6.056 5.170 303 2HB LYS 37 2HB LYS 37 8.562 4.451 4.905 304 1HG LYS 37 1HG LYS 37 9.938 5.261 7.219 305 2HG LYS 37 2HG LYS 37 8.394 6.033 7.454 306 1HD LYS 37 1HD LYS 37 7.351 3.682 6.772 307 2HD LYS 37 2HD LYS 37 8.942 3.071 7.238 308 1HE LYS 37 1HE LYS 37 8.535 3.525 9.461 309 2HE LYS 37 2HE LYS 37 7.680 5.079 9.131 310 1HZ LYS 37 1HZ LYS 37 6.378 3.136 10.033 311 2HZ LYS 37 2HZ LYS 37 6.391 2.536 8.474 312 3HZ LYS 37 3HZ LYS 37 5.667 4.033 8.771 313 HA PRO 38 HA PRO 38 10.769 7.004 0.749 314 1HB PRO 38 1HB PRO 38 12.076 4.376 0.199 315 2HB PRO 38 2HB PRO 38 12.560 6.015 -0.256 316 1HG PRO 38 1HG PRO 38 13.846 4.852 1.710 317 2HG PRO 38 2HG PRO 38 13.362 6.567 1.957 318 1HD PRO 38 1HD PRO 38 11.947 4.063 2.977 319 2HD PRO 38 2HD PRO 38 12.420 5.550 3.841 320 H ASP 39 H ASP 39 8.659 7.029 -0.062 321 HA ASP 39 HA ASP 39 7.111 4.619 -0.192 322 1HB ASP 39 1HB ASP 39 6.611 6.911 -2.065 323 2HB ASP 39 2HB ASP 39 5.419 5.878 -1.255 324 H LYS 40 H LYS 40 6.057 4.288 -2.698 325 HA LYS 40 HA LYS 40 8.335 4.192 -4.642 326 1HB LYS 40 1HB LYS 40 7.432 1.929 -3.193 327 2HB LYS 40 2HB LYS 40 6.653 1.833 -4.789 328 1HG LYS 40 1HG LYS 40 8.685 0.604 -4.812 329 2HG LYS 40 2HG LYS 40 8.814 2.024 -5.893 330 1HD LYS 40 1HD LYS 40 10.469 2.961 -4.782 331 2HD LYS 40 2HD LYS 40 9.742 2.599 -3.179 332 1HE LYS 40 1HE LYS 40 10.700 0.367 -3.203 333 2HE LYS 40 2HE LYS 40 11.072 0.402 -4.910 334 1HZ LYS 40 1HZ LYS 40 12.754 2.069 -4.526 335 2HZ LYS 40 2HZ LYS 40 13.031 0.705 -3.614 336 3HZ LYS 40 3HZ LYS 40 12.406 2.073 -2.845 337 H GLU 41 H GLU 41 7.647 4.050 -6.802 338 HA GLU 41 HA GLU 41 4.818 4.006 -7.441 339 1HB GLU 41 1HB GLU 41 5.429 6.522 -6.870 340 2HB GLU 41 2HB GLU 41 6.476 6.464 -8.288 341 1HG GLU 41 1HG GLU 41 4.270 5.425 -9.432 342 2HG GLU 41 2HG GLU 41 3.414 6.196 -8.120 343 H ILE 42 H ILE 42 6.004 2.043 -8.174 344 HA ILE 42 HA ILE 42 8.070 2.149 -10.111 345 HB ILE 42 HB ILE 42 5.893 0.077 -9.910 346 1HG1 ILE 42 1HG1 ILE 42 7.060 0.349 -7.736 347 2HG1 ILE 42 2HG1 ILE 42 7.397 -1.211 -8.476 348 1HG2 ILE 42 1HG2 ILE 42 8.066 -1.333 -10.799 349 2HG2 ILE 42 2HG2 ILE 42 8.668 0.258 -11.278 350 3HG2 ILE 42 3HG2 ILE 42 7.188 -0.354 -12.011 351 1HD1 ILE 42 1HD1 ILE 42 9.596 -0.792 -8.458 352 2HD1 ILE 42 2HD1 ILE 42 9.307 0.722 -7.591 353 3HD1 ILE 42 3HD1 ILE 42 9.414 0.712 -9.370 354 H VAL 43 H VAL 43 8.112 1.840 -12.275 355 HA VAL 43 HA VAL 43 5.641 2.388 -13.817 356 HB VAL 43 HB VAL 43 7.700 3.948 -15.061 357 1HG1 VAL 43 1HG1 VAL 43 5.091 4.719 -13.670 358 2HG1 VAL 43 2HG1 VAL 43 5.368 4.418 -15.410 359 3HG1 VAL 43 3HG1 VAL 43 6.049 5.865 -14.605 360 1HG2 VAL 43 1HG2 VAL 43 8.819 4.179 -12.860 361 2HG2 VAL 43 2HG2 VAL 43 7.315 4.808 -12.114 362 3HG2 VAL 43 3HG2 VAL 43 8.154 5.722 -13.399 363 H GLN 44 H GLN 44 5.842 0.353 -14.653 364 HA GLN 44 HA GLN 44 8.357 -0.337 -16.169 365 1HB GLN 44 1HB GLN 44 8.013 -1.773 -14.184 366 2HB GLN 44 2HB GLN 44 6.412 -2.154 -14.787 367 1HG GLN 44 1HG GLN 44 7.397 -3.295 -16.764 368 2HG GLN 44 2HG GLN 44 9.012 -2.753 -16.305 369 1HE2 GLN 44 1HE2 GLN 44 8.121 -5.507 -16.670 370 2HE2 GLN 44 2HE2 GLN 44 8.262 -6.284 -15.109 371 H ASP 45 H ASP 45 7.930 -0.235 -18.344 372 HA ASP 45 HA ASP 45 5.239 -0.151 -19.436 373 1HB ASP 45 1HB ASP 45 8.120 -0.486 -20.473 374 2HB ASP 45 2HB ASP 45 6.746 -0.519 -21.594 375 H GLY 46 H GLY 46 7.756 -2.407 -20.585 376 1HA GLY 46 1HA GLY 46 6.175 -4.638 -19.561 377 2HA GLY 46 2HA GLY 46 6.068 -4.447 -21.376 378 H ASP 47 H ASP 47 8.393 -3.602 -22.227 379 HA ASP 47 HA ASP 47 10.218 -5.870 -21.639 380 1HB ASP 47 1HB ASP 47 10.170 -4.012 -23.988 381 2HB ASP 47 2HB ASP 47 11.143 -5.471 -23.812 382 H HIS 48 H HIS 48 9.704 -2.814 -20.508 383 HA HIS 48 HA HIS 48 12.613 -2.359 -20.019 384 1HB HIS 48 1HB HIS 48 10.584 -0.305 -20.956 385 2HB HIS 48 2HB HIS 48 12.187 0.076 -20.307 386 HD1 HIS 48 HD1 HIS 48 10.716 0.190 -23.351 387 HD2 HIS 48 HD2 HIS 48 14.118 -1.876 -22.164 388 HE1 HIS 48 HE1 HIS 48 12.023 -0.250 -25.479 389 HE2 HIS 48 HE2 HIS 48 14.146 -1.552 -24.691 390 H MET 49 H MET 49 12.761 -0.466 -18.250 391 HA MET 49 HA MET 49 10.314 -0.443 -16.523 392 1HB MET 49 1HB MET 49 11.881 -2.520 -16.189 393 2HB MET 49 2HB MET 49 12.930 -1.401 -15.373 394 1HG MET 49 1HG MET 49 11.411 -1.038 -13.584 395 2HG MET 49 2HG MET 49 10.002 -1.533 -14.567 396 1HE MET 49 1HE MET 49 13.536 -4.255 -13.314 397 2HE MET 49 2HE MET 49 13.015 -3.031 -12.100 398 3HE MET 49 3HE MET 49 13.550 -2.537 -13.723 399 H ILE 50 H ILE 50 10.601 0.990 -14.654 400 HA ILE 50 HA ILE 50 12.759 2.959 -14.769 401 HB ILE 50 HB ILE 50 9.786 3.671 -14.608 402 1HG1 ILE 50 1HG1 ILE 50 10.423 2.797 -16.933 403 2HG1 ILE 50 2HG1 ILE 50 9.648 4.381 -16.872 404 1HG2 ILE 50 1HG2 ILE 50 12.174 5.564 -15.194 405 2HG2 ILE 50 2HG2 ILE 50 11.421 5.360 -13.597 406 3HG2 ILE 50 3HG2 ILE 50 10.517 6.038 -14.944 407 1HD1 ILE 50 1HD1 ILE 50 11.484 4.438 -18.479 408 2HD1 ILE 50 2HD1 ILE 50 12.651 3.801 -17.318 409 3HD1 ILE 50 3HD1 ILE 50 11.989 5.444 -17.139 410 H ILE 51 H ILE 51 13.294 3.139 -12.597 411 HA ILE 51 HA ILE 51 11.213 2.312 -10.574 412 HB ILE 51 HB ILE 51 14.216 2.179 -10.648 413 1HG1 ILE 51 1HG1 ILE 51 13.775 -0.138 -9.811 414 2HG1 ILE 51 2HG1 ILE 51 12.106 0.171 -9.601 415 1HG2 ILE 51 1HG2 ILE 51 13.808 3.318 -8.454 416 2HG2 ILE 51 2HG2 ILE 51 13.939 1.600 -8.065 417 3HG2 ILE 51 3HG2 ILE 51 12.341 2.421 -8.175 418 1HD1 ILE 51 1HD1 ILE 51 13.327 0.622 -12.374 419 2HD1 ILE 51 2HD1 ILE 51 11.663 0.197 -12.035 420 3HD1 ILE 51 3HD1 ILE 51 12.937 -1.033 -11.837 421 H ARG 52 H ARG 52 10.580 3.800 -9.124 422 HA ARG 52 HA ARG 52 12.173 6.371 -8.953 423 1HB ARG 52 1HB ARG 52 9.157 6.061 -9.160 424 2HB ARG 52 2HB ARG 52 10.001 7.481 -8.557 425 1HG ARG 52 1HG ARG 52 11.191 7.787 -10.725 426 2HG ARG 52 2HG ARG 52 10.548 6.263 -11.358 427 1HD ARG 52 1HD ARG 52 9.218 8.114 -12.250 428 2HD ARG 52 2HD ARG 52 8.221 7.123 -11.204 429 HE ARG 52 HE ARG 52 9.336 9.051 -9.534 430 1HH1 ARG 52 1HH1 ARG 52 7.377 9.094 -12.440 431 2HH1 ARG 52 2HH1 ARG 52 6.544 10.590 -12.121 432 1HH2 ARG 52 1HH2 ARG 52 8.295 11.029 -9.031 433 2HH2 ARG 52 2HH2 ARG 52 7.097 11.673 -10.153 434 H THR 53 H THR 53 12.284 7.325 -7.012 435 HA THR 53 HA THR 53 11.074 5.755 -4.740 436 HB THR 53 HB THR 53 13.800 7.087 -4.724 437 HG1 THR 53 HG1 THR 53 14.309 4.643 -4.481 438 1HG2 THR 53 1HG2 THR 53 12.576 4.976 -2.743 439 2HG2 THR 53 2HG2 THR 53 12.508 6.736 -2.449 440 3HG2 THR 53 3HG2 THR 53 14.055 5.918 -2.507 441 H LEU 54 H LEU 54 9.550 7.127 -4.126 442 HA LEU 54 HA LEU 54 9.884 10.067 -4.378 443 1HB LEU 54 1HB LEU 54 7.503 8.368 -4.134 444 2HB LEU 54 2HB LEU 54 7.535 10.112 -3.949 445 HG LEU 54 HG LEU 54 8.997 8.996 -6.302 446 1HD1 LEU 54 1HD1 LEU 54 6.160 9.560 -7.018 447 2HD1 LEU 54 2HD1 LEU 54 6.333 8.165 -5.951 448 3HD1 LEU 54 3HD1 LEU 54 7.195 8.224 -7.516 449 1HD2 LEU 54 1HD2 LEU 54 8.867 11.119 -7.057 450 2HD2 LEU 54 2HD2 LEU 54 8.419 11.541 -5.426 451 3HD2 LEU 54 3HD2 LEU 54 7.138 11.342 -6.676 452 H SER 55 H SER 55 10.916 10.758 -2.500 453 HA SER 55 HA SER 55 9.288 10.639 0.017 454 1HB SER 55 1HB SER 55 12.342 11.045 -0.125 455 2HB SER 55 2HB SER 55 11.370 10.506 1.251 456 HG SER 55 HG SER 55 12.060 8.608 0.504 457 H THR 56 H THR 56 10.073 12.726 1.390 458 HA THR 56 HA THR 56 10.271 14.983 -0.629 459 HB THR 56 HB THR 56 9.500 16.473 1.080 460 HG1 THR 56 HG1 THR 56 8.955 15.394 3.181 461 1HG2 THR 56 1HG2 THR 56 7.902 13.861 0.810 462 2HG2 THR 56 2HG2 THR 56 7.557 15.437 0.053 463 3HG2 THR 56 3HG2 THR 56 7.200 15.148 1.785 464 H PHE 57 H PHE 57 12.477 13.216 0.151 465 HA PHE 57 HA PHE 57 14.285 15.244 1.415 466 1HB PHE 57 1HB PHE 57 14.136 13.460 3.001 467 2HB PHE 57 2HB PHE 57 14.127 12.199 1.732 468 HD1 PHE 57 HD1 PHE 57 16.203 10.932 1.808 469 HD2 PHE 57 HD2 PHE 57 16.238 15.194 2.507 470 HE1 PHE 57 HE1 PHE 57 18.669 10.864 2.014 471 HE2 PHE 57 HE2 PHE 57 18.734 15.097 2.733 472 HZ PHE 57 HZ PHE 57 19.913 12.933 2.475 473 H ARG 58 H ARG 58 14.017 12.469 -0.882 474 HA ARG 58 HA ARG 58 15.616 13.776 -2.921 475 1HB ARG 58 1HB ARG 58 17.518 13.638 -1.919 476 2HB ARG 58 2HB ARG 58 17.008 12.462 -0.743 477 1HG ARG 58 1HG ARG 58 17.620 10.607 -2.098 478 2HG ARG 58 2HG ARG 58 17.403 11.501 -3.600 479 1HD ARG 58 1HD ARG 58 19.829 10.977 -2.346 480 2HD ARG 58 2HD ARG 58 19.517 12.065 -3.716 481 HE ARG 58 HE ARG 58 19.308 12.996 -0.879 482 1HH1 ARG 58 1HH1 ARG 58 20.997 13.274 -4.052 483 2HH1 ARG 58 2HH1 ARG 58 21.807 14.673 -3.488 484 1HH2 ARG 58 1HH2 ARG 58 20.517 14.884 -0.326 485 2HH2 ARG 58 2HH2 ARG 58 21.593 15.568 -1.501 486 H ASN 59 H ASN 59 15.327 12.794 -4.829 487 HA ASN 59 HA ASN 59 13.965 10.136 -4.689 488 1HB ASN 59 1HB ASN 59 14.229 11.815 -7.244 489 2HB ASN 59 2HB ASN 59 12.989 10.625 -6.757 490 1HD2 ASN 59 1HD2 ASN 59 12.752 11.895 -4.025 491 2HD2 ASN 59 2HD2 ASN 59 11.843 13.348 -4.291 492 H TYR 60 H TYR 60 14.209 8.737 -6.648 493 HA TYR 60 HA TYR 60 17.072 8.578 -7.436 494 1HB TYR 60 1HB TYR 60 15.751 6.835 -5.690 495 2HB TYR 60 2HB TYR 60 15.663 6.018 -7.313 496 HD1 TYR 60 HD1 TYR 60 18.246 7.201 -8.507 497 HD2 TYR 60 HD2 TYR 60 17.471 5.506 -4.584 498 HE1 TYR 60 HE1 TYR 60 20.605 6.626 -8.252 499 HE2 TYR 60 HE2 TYR 60 19.825 4.957 -4.357 500 HH TYR 60 HH TYR 60 22.153 6.203 -5.804 501 H ILE 61 H ILE 61 17.010 8.796 -9.588 502 HA ILE 61 HA ILE 61 14.578 7.794 -11.061 503 HB ILE 61 HB ILE 61 16.367 10.076 -11.941 504 1HG1 ILE 61 1HG1 ILE 61 15.244 10.841 -9.909 505 2HG1 ILE 61 2HG1 ILE 61 14.491 11.601 -11.245 506 1HG2 ILE 61 1HG2 ILE 61 13.866 8.777 -13.059 507 2HG2 ILE 61 2HG2 ILE 61 15.381 9.307 -13.862 508 3HG2 ILE 61 3HG2 ILE 61 14.162 10.500 -13.335 509 1HD1 ILE 61 1HD1 ILE 61 13.051 10.225 -9.310 510 2HD1 ILE 61 2HD1 ILE 61 13.106 9.029 -10.636 511 3HD1 ILE 61 3HD1 ILE 61 12.458 10.682 -10.888 512 H MET 62 H MET 62 15.064 6.026 -12.152 513 HA MET 62 HA MET 62 17.503 6.069 -13.858 514 1HB MET 62 1HB MET 62 16.316 3.750 -12.282 515 2HB MET 62 2HB MET 62 17.559 3.497 -13.450 516 1HG MET 62 1HG MET 62 18.172 5.602 -11.379 517 2HG MET 62 2HG MET 62 18.051 3.913 -10.780 518 1HE MET 62 1HE MET 62 20.436 6.562 -12.571 519 2HE MET 62 2HE MET 62 21.841 5.592 -11.995 520 3HE MET 62 3HE MET 62 20.560 6.042 -10.866 521 H ASP 63 H ASP 63 17.246 4.070 -15.440 522 HA ASP 63 HA ASP 63 14.472 3.685 -16.354 523 1HB ASP 63 1HB ASP 63 16.764 5.047 -17.904 524 2HB ASP 63 2HB ASP 63 15.237 4.433 -18.631 525 H PHE 64 H PHE 64 14.680 1.518 -16.231 526 HA PHE 64 HA PHE 64 17.255 0.268 -17.145 527 1HB PHE 64 1HB PHE 64 15.000 -0.661 -15.310 528 2HB PHE 64 2HB PHE 64 16.168 -1.772 -16.031 529 HD1 PHE 64 HD1 PHE 64 15.417 0.005 -13.135 530 HD2 PHE 64 HD2 PHE 64 18.731 -0.701 -15.781 531 HE1 PHE 64 HE1 PHE 64 16.948 0.552 -11.354 532 HE2 PHE 64 HE2 PHE 64 20.316 -0.133 -13.948 533 HZ PHE 64 HZ PHE 64 19.407 0.516 -11.664 534 H GLN 65 H GLN 65 16.994 -2.023 -17.871 535 HA GLN 65 HA GLN 65 14.730 -2.325 -19.841 536 1HB GLN 65 1HB GLN 65 17.495 -3.465 -20.339 537 2HB GLN 65 2HB GLN 65 16.153 -3.200 -21.469 538 1HG GLN 65 1HG GLN 65 17.507 -0.809 -20.197 539 2HG GLN 65 2HG GLN 65 18.246 -1.572 -21.633 540 1HE2 GLN 65 1HE2 GLN 65 17.137 -1.698 -23.613 541 2HE2 GLN 65 2HE2 GLN 65 15.870 -0.576 -24.007 542 H VAL 66 H VAL 66 13.587 -3.985 -19.137 543 HA VAL 66 HA VAL 66 14.589 -5.907 -17.171 544 HB VAL 66 HB VAL 66 12.086 -6.288 -18.780 545 1HG1 VAL 66 1HG1 VAL 66 13.312 -7.811 -16.703 546 2HG1 VAL 66 2HG1 VAL 66 11.608 -7.899 -17.225 547 3HG1 VAL 66 3HG1 VAL 66 12.126 -6.834 -15.870 548 1HG2 VAL 66 1HG2 VAL 66 11.395 -4.234 -17.915 549 2HG2 VAL 66 2HG2 VAL 66 12.785 -4.180 -16.826 550 3HG2 VAL 66 3HG2 VAL 66 11.314 -5.052 -16.349 551 H GLY 67 H GLY 67 16.324 -6.922 -17.981 552 1HA GLY 67 1HA GLY 67 16.864 -9.179 -18.822 553 2HA GLY 67 2HA GLY 67 15.912 -8.869 -20.229 554 H LYS 68 H LYS 68 18.601 -7.113 -18.596 555 HA LYS 68 HA LYS 68 20.480 -7.506 -20.747 556 1HB LYS 68 1HB LYS 68 18.597 -5.451 -21.188 557 2HB LYS 68 2HB LYS 68 20.118 -4.669 -20.861 558 1HG LYS 68 1HG LYS 68 20.269 -6.985 -22.781 559 2HG LYS 68 2HG LYS 68 19.478 -5.492 -23.360 560 1HD LYS 68 1HD LYS 68 22.116 -5.191 -21.909 561 2HD LYS 68 2HD LYS 68 22.121 -5.971 -23.514 562 1HE LYS 68 1HE LYS 68 21.003 -3.205 -22.894 563 2HE LYS 68 2HE LYS 68 22.475 -3.587 -23.843 564 1HZ LYS 68 1HZ LYS 68 20.985 -3.286 -25.455 565 2HZ LYS 68 2HZ LYS 68 19.682 -3.962 -24.617 566 3HZ LYS 68 3HZ LYS 68 20.905 -4.952 -25.299 567 H GLU 69 H GLU 69 22.369 -7.424 -19.729 568 HA GLU 69 HA GLU 69 22.906 -6.529 -17.108 569 1HB GLU 69 1HB GLU 69 24.187 -8.032 -18.824 570 2HB GLU 69 2HB GLU 69 24.991 -6.518 -19.229 571 1HG GLU 69 1HG GLU 69 25.701 -6.262 -16.833 572 2HG GLU 69 2HG GLU 69 24.875 -7.776 -16.401 573 H PHE 70 H PHE 70 23.525 -4.679 -16.223 574 HA PHE 70 HA PHE 70 24.023 -2.257 -17.945 575 1HB PHE 70 1HB PHE 70 22.233 -2.760 -15.646 576 2HB PHE 70 2HB PHE 70 23.177 -1.287 -15.537 577 HD1 PHE 70 HD1 PHE 70 21.569 -2.922 -18.582 578 HD2 PHE 70 HD2 PHE 70 21.738 0.452 -15.949 579 HE1 PHE 70 HE1 PHE 70 19.954 -1.716 -20.023 580 HE2 PHE 70 HE2 PHE 70 20.079 1.699 -17.426 581 HZ PHE 70 HZ PHE 70 19.246 0.562 -19.413 582 H GLU 71 H GLU 71 24.927 -0.567 -16.218 583 HA GLU 71 HA GLU 71 26.993 -1.769 -14.484 584 1HB GLU 71 1HB GLU 71 27.902 -1.705 -16.855 585 2HB GLU 71 2HB GLU 71 27.704 0.089 -16.800 586 1HG GLU 71 1HG GLU 71 29.892 -0.014 -16.035 587 2HG GLU 71 2HG GLU 71 29.080 -0.251 -14.511 588 H GLU 72 H GLU 72 25.127 -0.614 -13.158 589 HA GLU 72 HA GLU 72 24.684 2.111 -13.152 590 1HB GLU 72 1HB GLU 72 24.384 -0.097 -11.371 591 2HB GLU 72 2HB GLU 72 24.655 1.412 -10.492 592 1HG GLU 72 1HG GLU 72 22.703 1.663 -12.753 593 2HG GLU 72 2HG GLU 72 22.241 0.463 -11.548 594 H ASP 73 H ASP 73 26.083 3.782 -13.009 595 HA ASP 73 HA ASP 73 28.815 3.490 -12.076 596 1HB ASP 73 1HB ASP 73 27.075 5.788 -12.931 597 2HB ASP 73 2HB ASP 73 28.703 6.038 -12.296 598 H LEU 74 H LEU 74 25.770 4.710 -10.650 599 HA LEU 74 HA LEU 74 25.248 5.561 -8.617 600 1HB LEU 74 1HB LEU 74 26.977 3.203 -7.995 601 2HB LEU 74 2HB LEU 74 26.239 4.120 -6.712 602 HG LEU 74 HG LEU 74 24.482 3.081 -8.984 603 1HD1 LEU 74 1HD1 LEU 74 24.143 0.988 -7.800 604 2HD1 LEU 74 2HD1 LEU 74 25.048 1.553 -6.407 605 3HD1 LEU 74 3HD1 LEU 74 25.913 1.217 -7.883 606 1HD2 LEU 74 1HD2 LEU 74 24.014 4.762 -6.778 607 2HD2 LEU 74 2HD2 LEU 74 23.566 3.204 -6.106 608 3HD2 LEU 74 3HD2 LEU 74 22.750 3.790 -7.545 609 H THR 75 H THR 75 26.675 7.649 -9.127 610 HA THR 75 HA THR 75 28.904 7.791 -7.120 611 HB THR 75 HB THR 75 29.387 9.916 -8.605 612 HG1 THR 75 HG1 THR 75 28.682 9.709 -10.663 613 1HG2 THR 75 1HG2 THR 75 30.166 7.065 -9.494 614 2HG2 THR 75 2HG2 THR 75 30.971 7.972 -8.230 615 3HG2 THR 75 3HG2 THR 75 31.095 8.521 -9.907 616 H GLY 76 H GLY 76 28.329 8.724 -5.407 617 1HA GLY 76 1HA GLY 76 27.620 11.146 -4.749 618 2HA GLY 76 2HA GLY 76 26.013 10.632 -5.383 619 H ILE 77 H ILE 77 25.249 8.394 -4.494 620 HA ILE 77 HA ILE 77 25.746 8.431 -1.539 621 HB ILE 77 HB ILE 77 23.447 6.968 -1.916 622 1HG1 ILE 77 1HG1 ILE 77 23.114 9.269 -3.929 623 2HG1 ILE 77 2HG1 ILE 77 23.504 7.644 -4.396 624 1HG2 ILE 77 1HG2 ILE 77 23.234 8.647 -0.218 625 2HG2 ILE 77 2HG2 ILE 77 22.255 9.451 -1.430 626 3HG2 ILE 77 3HG2 ILE 77 23.938 9.929 -1.265 627 1HD1 ILE 77 1HD1 ILE 77 21.058 8.116 -4.588 628 2HD1 ILE 77 2HD1 ILE 77 20.991 8.443 -2.852 629 3HD1 ILE 77 3HD1 ILE 77 21.396 6.823 -3.413 630 H ASP 78 H ASP 78 26.081 6.390 -0.545 631 HA ASP 78 HA ASP 78 26.992 4.262 -0.389 632 1HB ASP 78 1HB ASP 78 25.280 3.858 -2.800 633 2HB ASP 78 2HB ASP 78 26.099 2.554 -1.886 634 H ASP 79 H ASP 79 28.202 6.356 -2.421 635 HA ASP 79 HA ASP 79 29.513 6.165 -4.469 636 1HB ASP 79 1HB ASP 79 31.757 6.313 -3.556 637 2HB ASP 79 2HB ASP 79 30.488 7.391 -2.916 638 H ARG 80 H ARG 80 28.724 3.843 -5.167 639 HA ARG 80 HA ARG 80 31.188 2.119 -5.203 640 1HB ARG 80 1HB ARG 80 28.905 1.394 -3.800 641 2HB ARG 80 2HB ARG 80 28.672 0.650 -5.393 642 1HG ARG 80 1HG ARG 80 29.900 -1.058 -4.739 643 2HG ARG 80 2HG ARG 80 31.295 -0.031 -4.934 644 1HD ARG 80 1HD ARG 80 30.694 -1.358 -2.637 645 2HD ARG 80 2HD ARG 80 31.800 0.069 -2.763 646 HE ARG 80 HE ARG 80 28.869 0.338 -2.184 647 1HH1 ARG 80 1HH1 ARG 80 32.292 0.902 -1.127 648 2HH1 ARG 80 2HH1 ARG 80 31.717 1.885 0.184 649 1HH2 ARG 80 1HH2 ARG 80 28.377 1.702 -0.324 650 2HH2 ARG 80 2HH2 ARG 80 29.707 2.322 0.613 651 H LYS 81 H LYS 81 30.175 0.090 -6.761 652 HA LYS 81 HA LYS 81 29.039 1.144 -9.276 653 1HB LYS 81 1HB LYS 81 31.623 1.491 -9.377 654 2HB LYS 81 2HB LYS 81 31.773 -0.216 -9.214 655 1HG LYS 81 1HG LYS 81 31.776 -0.395 -11.379 656 2HG LYS 81 2HG LYS 81 30.002 -0.095 -11.328 657 1HD LYS 81 1HD LYS 81 30.237 1.991 -12.313 658 2HD LYS 81 2HD LYS 81 31.412 2.450 -11.069 659 1HE LYS 81 1HE LYS 81 32.333 2.582 -13.401 660 2HE LYS 81 2HE LYS 81 33.294 1.457 -12.390 661 1HZ LYS 81 1HZ LYS 81 32.408 0.884 -14.810 662 2HZ LYS 81 2HZ LYS 81 31.154 0.226 -13.939 663 3HZ LYS 81 3HZ LYS 81 32.702 -0.295 -13.600 664 H CYS 82 H CYS 82 28.155 -0.656 -10.448 665 HA CYS 82 HA CYS 82 28.679 -3.400 -9.548 666 1HB CYS 82 1HB CYS 82 26.222 -3.805 -9.041 667 2HB CYS 82 2HB CYS 82 27.070 -2.872 -7.844 668 HG CYS 82 HG CYS 82 26.160 -0.707 -9.792 669 H MET 83 H MET 83 28.171 -4.832 -11.009 670 HA MET 83 HA MET 83 27.202 -3.846 -13.633 671 1HB MET 83 1HB MET 83 29.284 -5.328 -13.221 672 2HB MET 83 2HB MET 83 28.170 -6.611 -12.738 673 1HG MET 83 1HG MET 83 27.051 -6.281 -15.071 674 2HG MET 83 2HG MET 83 28.476 -5.319 -15.512 675 1HE MET 83 1HE MET 83 29.634 -6.207 -17.221 676 2HE MET 83 2HE MET 83 30.142 -7.925 -17.421 677 3HE MET 83 3HE MET 83 31.081 -6.855 -16.362 678 H THR 84 H THR 84 25.238 -3.482 -12.300 679 HA THR 84 HA THR 84 23.647 -5.362 -11.068 680 HB THR 84 HB THR 84 23.438 -2.755 -12.094 681 HG1 THR 84 HG1 THR 84 21.530 -3.251 -10.448 682 1HG2 THR 84 1HG2 THR 84 20.890 -4.388 -12.394 683 2HG2 THR 84 2HG2 THR 84 21.856 -3.905 -13.829 684 3HG2 THR 84 3HG2 THR 84 21.173 -2.659 -12.816 685 H THR 85 H THR 85 21.582 -6.340 -11.821 686 HA THR 85 HA THR 85 21.158 -6.898 -14.593 687 HB THR 85 HB THR 85 21.497 -9.407 -12.980 688 HG1 THR 85 HG1 THR 85 23.460 -9.205 -12.568 689 1HG2 THR 85 1HG2 THR 85 21.525 -10.357 -15.025 690 2HG2 THR 85 2HG2 THR 85 22.842 -9.307 -15.633 691 3HG2 THR 85 3HG2 THR 85 21.132 -8.774 -15.696 692 H VAL 86 H VAL 86 19.094 -6.408 -14.491 693 HA VAL 86 HA VAL 86 17.473 -7.553 -12.261 694 HB VAL 86 HB VAL 86 16.770 -5.362 -14.257 695 1HG1 VAL 86 1HG1 VAL 86 15.424 -6.546 -11.829 696 2HG1 VAL 86 2HG1 VAL 86 14.692 -6.066 -13.373 697 3HG1 VAL 86 3HG1 VAL 86 15.104 -4.848 -12.140 698 1HG2 VAL 86 1HG2 VAL 86 17.687 -5.032 -11.298 699 2HG2 VAL 86 2HG2 VAL 86 17.285 -3.705 -12.402 700 3HG2 VAL 86 3HG2 VAL 86 18.720 -4.706 -12.702 701 H SER 87 H SER 87 16.424 -9.398 -12.960 702 HA SER 87 HA SER 87 15.786 -9.678 -15.891 703 1HB SER 87 1HB SER 87 17.136 -11.493 -13.952 704 2HB SER 87 2HB SER 87 15.881 -12.211 -14.931 705 HG SER 87 HG SER 87 18.175 -11.979 -15.783 706 H TRP 88 H TRP 88 13.813 -10.696 -16.422 707 HA TRP 88 HA TRP 88 11.789 -10.542 -14.307 708 1HB TRP 88 1HB TRP 88 11.685 -9.904 -16.889 709 2HB TRP 88 2HB TRP 88 11.444 -11.633 -17.090 710 HD1 TRP 88 HD1 TRP 88 9.753 -10.335 -13.883 711 HE1 TRP 88 HE1 TRP 88 7.214 -10.121 -14.312 712 HE3 TRP 88 HE3 TRP 88 9.543 -10.960 -19.061 713 HZ2 TRP 88 HZ2 TRP 88 5.404 -10.174 -16.364 714 HZ3 TRP 88 HZ3 TRP 88 7.378 -10.854 -20.153 715 HH2 TRP 88 HH2 TRP 88 5.306 -10.471 -18.837 716 H ASP 89 H ASP 89 11.117 -12.233 -13.181 717 HA ASP 89 HA ASP 89 12.101 -14.991 -13.863 718 1HB ASP 89 1HB ASP 89 12.097 -13.767 -11.496 719 2HB ASP 89 2HB ASP 89 10.360 -14.265 -11.515 720 H GLY 90 H GLY 90 9.237 -13.166 -12.912 721 1HA GLY 90 1HA GLY 90 7.454 -13.322 -14.798 722 2HA GLY 90 2HA GLY 90 7.416 -15.059 -14.260 723 H ASP 91 H ASP 91 7.130 -15.391 -11.941 724 HA ASP 91 HA ASP 91 4.838 -13.991 -10.943 725 1HB ASP 91 1HB ASP 91 6.435 -16.287 -10.128 726 2HB ASP 91 2HB ASP 91 5.844 -15.330 -8.750 727 H LYS 92 H LYS 92 8.243 -13.403 -10.588 728 HA LYS 92 HA LYS 92 7.536 -11.025 -8.955 729 1HB LYS 92 1HB LYS 92 10.005 -12.397 -8.066 730 2HB LYS 92 2HB LYS 92 8.848 -11.408 -7.153 731 1HG LYS 92 1HG LYS 92 7.421 -13.217 -6.691 732 2HG LYS 92 2HG LYS 92 8.068 -14.182 -8.059 733 1HD LYS 92 1HD LYS 92 9.804 -13.448 -5.657 734 2HD LYS 92 2HD LYS 92 8.702 -14.788 -5.563 735 1HE LYS 92 1HE LYS 92 10.199 -15.024 -8.068 736 2HE LYS 92 2HE LYS 92 11.326 -14.802 -6.726 737 1HZ LYS 92 1HZ LYS 92 9.315 -16.648 -5.942 738 2HZ LYS 92 2HZ LYS 92 10.978 -16.875 -6.240 739 3HZ LYS 92 3HZ LYS 92 9.880 -17.047 -7.493 740 H LEU 93 H LEU 93 9.504 -9.615 -8.651 741 HA LEU 93 HA LEU 93 11.155 -9.627 -11.163 742 1HB LEU 93 1HB LEU 93 9.487 -7.748 -10.385 743 2HB LEU 93 2HB LEU 93 10.685 -7.421 -9.141 744 HG LEU 93 HG LEU 93 11.022 -5.850 -11.001 745 1HD1 LEU 93 1HD1 LEU 93 12.890 -6.886 -9.603 746 2HD1 LEU 93 2HD1 LEU 93 13.332 -5.971 -11.051 747 3HD1 LEU 93 3HD1 LEU 93 13.371 -7.748 -11.109 748 1HD2 LEU 93 1HD2 LEU 93 10.876 -6.503 -13.216 749 2HD2 LEU 93 2HD2 LEU 93 10.510 -8.150 -12.750 750 3HD2 LEU 93 3HD2 LEU 93 12.186 -7.717 -12.997 751 H GLN 94 H GLN 94 13.465 -9.757 -10.763 752 HA GLN 94 HA GLN 94 14.378 -9.408 -7.941 753 1HB GLN 94 1HB GLN 94 15.562 -11.622 -9.566 754 2HB GLN 94 2HB GLN 94 15.486 -11.381 -7.802 755 1HG GLN 94 1HG GLN 94 12.893 -11.893 -9.312 756 2HG GLN 94 2HG GLN 94 14.041 -13.165 -9.298 757 1HE2 GLN 94 1HE2 GLN 94 14.114 -14.500 -7.418 758 2HE2 GLN 94 2HE2 GLN 94 13.347 -14.138 -5.891 759 H CYS 95 H CYS 95 16.360 -8.733 -7.682 760 HA CYS 95 HA CYS 95 17.806 -7.795 -10.148 761 1HB CYS 95 1HB CYS 95 17.822 -6.523 -7.439 762 2HB CYS 95 2HB CYS 95 18.362 -5.857 -9.018 763 HG CYS 95 HG CYS 95 16.310 -4.509 -8.619 764 H VAL 96 H VAL 96 20.216 -7.593 -9.856 765 HA VAL 96 HA VAL 96 21.436 -8.708 -7.414 766 HB VAL 96 HB VAL 96 20.722 -10.610 -9.296 767 1HG1 VAL 96 1HG1 VAL 96 22.447 -9.966 -10.844 768 2HG1 VAL 96 2HG1 VAL 96 23.038 -11.437 -10.060 769 3HG1 VAL 96 3HG1 VAL 96 23.690 -9.882 -9.559 770 1HG2 VAL 96 1HG2 VAL 96 22.379 -12.039 -7.779 771 2HG2 VAL 96 2HG2 VAL 96 21.068 -11.158 -6.933 772 3HG2 VAL 96 3HG2 VAL 96 22.718 -10.523 -6.985 773 H GLN 97 H GLN 97 23.282 -7.565 -7.182 774 HA GLN 97 HA GLN 97 24.597 -6.354 -9.582 775 1HB GLN 97 1HB GLN 97 24.848 -4.683 -7.222 776 2HB GLN 97 2HB GLN 97 24.244 -4.322 -8.842 777 1HG GLN 97 1HG GLN 97 21.992 -5.216 -8.287 778 2HG GLN 97 2HG GLN 97 22.580 -5.707 -6.711 779 1HE2 GLN 97 1HE2 GLN 97 24.235 -2.857 -6.872 780 2HE2 GLN 97 2HE2 GLN 97 22.994 -1.757 -6.371 781 H LYS 98 H LYS 98 26.810 -6.390 -9.521 782 HA LYS 98 HA LYS 98 28.196 -8.021 -7.475 783 1HB LYS 98 1HB LYS 98 28.466 -7.422 -10.227 784 2HB LYS 98 2HB LYS 98 29.970 -7.018 -9.397 785 1HG LYS 98 1HG LYS 98 30.466 -9.209 -8.876 786 2HG LYS 98 2HG LYS 98 28.753 -9.643 -8.583 787 1HD LYS 98 1HD LYS 98 28.530 -9.269 -11.149 788 2HD LYS 98 2HD LYS 98 30.323 -9.397 -11.180 789 1HE LYS 98 1HE LYS 98 28.321 -11.518 -10.352 790 2HE LYS 98 2HE LYS 98 29.545 -11.614 -11.633 791 1HZ LYS 98 1HZ LYS 98 29.898 -11.865 -8.712 792 2HZ LYS 98 2HZ LYS 98 31.178 -11.165 -9.591 793 3HZ LYS 98 3HZ LYS 98 30.640 -12.682 -9.995 794 H GLY 99 H GLY 99 30.555 -7.287 -7.125 795 1HA GLY 99 1HA GLY 99 31.651 -4.844 -6.922 796 2HA GLY 99 2HA GLY 99 30.308 -4.602 -5.802 797 H GLU 100 H GLU 100 31.871 -4.216 -4.174 798 HA GLU 100 HA GLU 100 33.669 -6.318 -3.221 799 1HB GLU 100 1HB GLU 100 34.140 -3.847 -3.373 800 2HB GLU 100 2HB GLU 100 33.147 -3.718 -1.943 801 1HG GLU 100 1HG GLU 100 34.671 -5.090 -0.585 802 2HG GLU 100 2HG GLU 100 35.429 -5.748 -2.011 803 H LYS 101 H LYS 101 30.381 -5.274 -2.407 804 HA LYS 101 HA LYS 101 30.536 -5.990 0.390 805 1HB LYS 101 1HB LYS 101 28.123 -5.406 -1.302 806 2HB LYS 101 2HB LYS 101 28.291 -5.334 0.470 807 1HG LYS 101 1HG LYS 101 29.413 -3.482 -1.626 808 2HG LYS 101 2HG LYS 101 28.474 -3.088 -0.173 809 1HD LYS 101 1HD LYS 101 30.346 -3.886 1.270 810 2HD LYS 101 2HD LYS 101 31.329 -4.080 -0.205 811 1HE LYS 101 1HE LYS 101 31.634 -1.825 -0.445 812 2HE LYS 101 2HE LYS 101 29.998 -1.378 0.249 813 1HZ LYS 101 1HZ LYS 101 32.089 -0.899 1.565 814 2HZ LYS 101 2HZ LYS 101 32.013 -2.547 1.981 815 3HZ LYS 101 3HZ LYS 101 30.758 -1.515 2.355 816 H GLU 102 H GLU 102 28.555 -7.316 1.133 817 HA GLU 102 HA GLU 102 28.572 -10.005 -0.075 818 1HB GLU 102 1HB GLU 102 28.307 -8.862 2.698 819 2HB GLU 102 2HB GLU 102 27.667 -10.468 2.430 820 1HG GLU 102 1HG GLU 102 30.232 -10.714 1.380 821 2HG GLU 102 2HG GLU 102 30.503 -9.437 2.548 822 H GLY 103 H GLY 103 26.795 -7.492 -0.469 823 1HA GLY 103 1HA GLY 103 24.227 -9.034 -0.445 824 2HA GLY 103 2HA GLY 103 24.269 -7.586 0.460 825 H ARG 104 H ARG 104 24.431 -5.612 -0.630 826 HA ARG 104 HA ARG 104 23.498 -4.165 -2.155 827 1HB ARG 104 1HB ARG 104 25.910 -5.420 -3.384 828 2HB ARG 104 2HB ARG 104 24.965 -4.215 -4.265 829 1HG ARG 104 1HG ARG 104 25.167 -3.090 -1.691 830 2HG ARG 104 2HG ARG 104 26.751 -3.901 -1.880 831 1HD ARG 104 1HD ARG 104 27.357 -1.955 -2.848 832 2HD ARG 104 2HD ARG 104 26.574 -2.600 -4.277 833 HE ARG 104 HE ARG 104 24.627 -1.381 -2.560 834 1HH1 ARG 104 1HH1 ARG 104 27.186 -0.637 -4.915 835 2HH1 ARG 104 2HH1 ARG 104 26.467 0.873 -5.324 836 1HH2 ARG 104 1HH2 ARG 104 23.686 0.699 -3.217 837 2HH2 ARG 104 2HH2 ARG 104 24.574 1.602 -4.421 838 H GLY 105 H GLY 105 21.388 -4.921 -2.656 839 1HA GLY 105 1HA GLY 105 20.730 -5.321 -5.352 840 2HA GLY 105 2HA GLY 105 20.883 -6.958 -4.688 841 H TRP 106 H TRP 106 18.490 -5.484 -5.637 842 HA TRP 106 HA TRP 106 16.933 -5.311 -3.039 843 1HB TRP 106 1HB TRP 106 15.588 -4.369 -5.437 844 2HB TRP 106 2HB TRP 106 15.718 -3.700 -3.834 845 HD1 TRP 106 HD1 TRP 106 18.857 -2.869 -3.673 846 HE1 TRP 106 HE1 TRP 106 19.853 -1.114 -5.281 847 HE3 TRP 106 HE3 TRP 106 15.338 -3.044 -7.448 848 HZ2 TRP 106 HZ2 TRP 106 19.287 0.016 -7.745 849 HZ3 TRP 106 HZ3 TRP 106 15.672 -1.554 -9.416 850 HH2 TRP 106 HH2 TRP 106 17.668 -0.038 -9.519 851 H THR 107 H THR 107 14.644 -6.081 -3.298 852 HA THR 107 HA THR 107 14.318 -8.088 -5.432 853 HB THR 107 HB THR 107 14.733 -8.820 -2.542 854 HG1 THR 107 HG1 THR 107 15.953 -9.169 -4.820 855 1HG2 THR 107 1HG2 THR 107 12.656 -10.069 -2.715 856 2HG2 THR 107 2HG2 THR 107 13.747 -11.161 -3.599 857 3HG2 THR 107 3HG2 THR 107 12.714 -10.074 -4.502 858 H GLN 108 H GLN 108 12.187 -7.756 -6.143 859 HA GLN 108 HA GLN 108 10.247 -6.724 -4.133 860 1HB GLN 108 1HB GLN 108 10.857 -6.254 -7.086 861 2HB GLN 108 2HB GLN 108 9.270 -5.976 -6.558 862 1HG GLN 108 1HG GLN 108 9.829 -4.023 -5.454 863 2HG GLN 108 2HG GLN 108 11.415 -4.680 -4.929 864 1HE2 GLN 108 1HE2 GLN 108 13.106 -3.788 -5.822 865 2HE2 GLN 108 2HE2 GLN 108 13.253 -3.139 -7.435 866 H TRP 109 H TRP 109 9.113 -8.532 -3.512 867 HA TRP 109 HA TRP 109 7.845 -10.172 -5.672 868 1HB TRP 109 1HB TRP 109 8.173 -12.065 -4.526 869 2HB TRP 109 2HB TRP 109 9.444 -11.123 -3.726 870 HD1 TRP 109 HD1 TRP 109 5.602 -11.195 -2.797 871 HE1 TRP 109 HE1 TRP 109 5.448 -11.802 -0.296 872 HE3 TRP 109 HE3 TRP 109 10.584 -11.930 -1.766 873 HZ2 TRP 109 HZ2 TRP 109 7.111 -12.467 1.756 874 HZ3 TRP 109 HZ3 TRP 109 11.263 -12.591 0.568 875 HH2 TRP 109 HH2 TRP 109 9.568 -12.864 2.297 876 H ILE 110 H ILE 110 5.712 -10.195 -5.792 877 HA ILE 110 HA ILE 110 4.285 -8.311 -3.991 878 HB ILE 110 HB ILE 110 3.909 -9.392 -6.699 879 1HG1 ILE 110 1HG1 ILE 110 3.740 -6.583 -5.463 880 2HG1 ILE 110 2HG1 ILE 110 5.208 -7.266 -6.052 881 1HG2 ILE 110 1HG2 ILE 110 1.612 -8.006 -6.545 882 2HG2 ILE 110 2HG2 ILE 110 1.679 -8.365 -4.823 883 3HG2 ILE 110 3HG2 ILE 110 1.652 -9.718 -5.990 884 1HD1 ILE 110 1HD1 ILE 110 4.531 -6.096 -7.920 885 2HD1 ILE 110 2HD1 ILE 110 2.796 -6.237 -7.559 886 3HD1 ILE 110 3HD1 ILE 110 3.679 -7.627 -8.262 887 H GLU 111 H GLU 111 2.564 -8.821 -2.782 888 HA GLU 111 HA GLU 111 1.481 -11.607 -2.736 889 1HB GLU 111 1HB GLU 111 3.022 -10.290 -0.722 890 2HB GLU 111 2HB GLU 111 1.341 -10.193 -0.161 891 1HG GLU 111 1HG GLU 111 1.345 -12.743 -0.855 892 2HG GLU 111 2HG GLU 111 3.110 -12.620 -0.545 893 H GLY 112 H GLY 112 -0.319 -11.079 -3.863 894 1HA GLY 112 1HA GLY 112 -2.321 -10.165 -4.364 895 2HA GLY 112 2HA GLY 112 -2.532 -9.836 -2.582 896 H ASP 113 H ASP 113 -2.818 -7.857 -2.026 897 HA ASP 113 HA ASP 113 -2.215 -5.700 -3.950 898 1HB ASP 113 1HB ASP 113 -4.386 -6.033 -2.528 899 2HB ASP 113 2HB ASP 113 -3.440 -5.211 -1.245 900 H GLU 114 H GLU 114 -0.283 -7.288 -1.907 901 HA GLU 114 HA GLU 114 0.896 -4.902 -0.559 902 1HB GLU 114 1HB GLU 114 1.448 -7.854 -0.082 903 2HB GLU 114 2HB GLU 114 2.102 -6.514 0.795 904 1HG GLU 114 1HG GLU 114 -0.944 -6.799 0.670 905 2HG GLU 114 2HG GLU 114 0.006 -7.785 1.754 906 H LEU 115 H LEU 115 3.376 -5.448 -0.245 907 HA LEU 115 HA LEU 115 4.751 -6.713 -2.455 908 1HB LEU 115 1HB LEU 115 4.506 -4.633 -3.542 909 2HB LEU 115 2HB LEU 115 4.422 -3.733 -2.065 910 HG LEU 115 HG LEU 115 6.975 -4.219 -1.737 911 1HD1 LEU 115 1HD1 LEU 115 6.440 -5.253 -4.491 912 2HD1 LEU 115 2HD1 LEU 115 7.581 -5.789 -3.283 913 3HD1 LEU 115 3HD1 LEU 115 7.956 -4.323 -4.227 914 1HD2 LEU 115 1HD2 LEU 115 7.240 -2.011 -2.449 915 2HD2 LEU 115 2HD2 LEU 115 5.527 -2.103 -2.932 916 3HD2 LEU 115 3HD2 LEU 115 6.774 -2.442 -4.112 917 H HIS 116 H HIS 116 6.276 -7.736 -1.404 918 HA HIS 116 HA HIS 116 7.297 -6.589 1.183 919 1HB HIS 116 1HB HIS 116 6.603 -9.314 0.259 920 2HB HIS 116 2HB HIS 116 8.251 -9.199 0.911 921 HD1 HIS 116 HD1 HIS 116 4.573 -8.439 1.864 922 HD2 HIS 116 HD2 HIS 116 8.378 -8.996 3.655 923 HE1 HIS 116 HE1 HIS 116 4.161 -8.503 4.354 924 HE2 HIS 116 HE2 HIS 116 6.500 -8.843 5.400 925 H LEU 117 H LEU 117 9.184 -5.658 1.083 926 HA LEU 117 HA LEU 117 10.951 -6.300 -1.264 927 1HB LEU 117 1HB LEU 117 10.461 -4.042 -1.364 928 2HB LEU 117 2HB LEU 117 10.443 -3.782 0.317 929 HG LEU 117 HG LEU 117 13.059 -4.060 0.208 930 1HD1 LEU 117 1HD1 LEU 117 13.773 -4.717 -1.854 931 2HD1 LEU 117 2HD1 LEU 117 13.400 -3.086 -2.438 932 3HD1 LEU 117 3HD1 LEU 117 12.201 -4.368 -2.579 933 1HD2 LEU 117 1HD2 LEU 117 13.193 -1.568 -0.686 934 2HD2 LEU 117 2HD2 LEU 117 11.996 -1.846 0.607 935 3HD2 LEU 117 3HD2 LEU 117 11.470 -1.757 -1.076 936 H GLU 118 H GLU 118 12.840 -7.135 -1.016 937 HA GLU 118 HA GLU 118 13.970 -7.505 1.714 938 1HB GLU 118 1HB GLU 118 13.200 -9.579 0.899 939 2HB GLU 118 2HB GLU 118 13.977 -9.340 -0.729 940 1HG GLU 118 1HG GLU 118 16.202 -9.221 0.560 941 2HG GLU 118 2HG GLU 118 15.279 -9.835 1.948 942 H MET 119 H MET 119 15.485 -5.849 1.735 943 HA MET 119 HA MET 119 17.297 -5.551 -0.634 944 1HB MET 119 1HB MET 119 15.798 -3.710 0.896 945 2HB MET 119 2HB MET 119 17.443 -3.523 1.479 946 1HG MET 119 1HG MET 119 17.040 -3.688 -1.525 947 2HG MET 119 2HG MET 119 16.743 -2.143 -0.671 948 1HE MET 119 1HE MET 119 19.160 -2.379 1.689 949 2HE MET 119 2HE MET 119 18.335 -1.012 0.832 950 3HE MET 119 3HE MET 119 20.111 -1.185 0.745 951 H ARG 120 H ARG 120 19.430 -5.909 -0.366 952 HA ARG 120 HA ARG 120 20.307 -6.538 2.415 953 1HB ARG 120 1HB ARG 120 21.927 -8.123 1.447 954 2HB ARG 120 2HB ARG 120 20.264 -8.621 1.251 955 1HG ARG 120 1HG ARG 120 21.019 -7.040 -1.072 956 2HG ARG 120 2HG ARG 120 22.232 -8.328 -0.756 957 1HD ARG 120 1HD ARG 120 20.113 -9.848 -0.431 958 2HD ARG 120 2HD ARG 120 19.224 -8.502 -1.149 959 HE ARG 120 HE ARG 120 21.475 -9.240 -2.780 960 1HH1 ARG 120 1HH1 ARG 120 18.118 -10.249 -2.026 961 2HH1 ARG 120 2HH1 ARG 120 17.940 -11.033 -3.565 962 1HH2 ARG 120 1HH2 ARG 120 21.078 -10.383 -4.868 963 2HH2 ARG 120 2HH2 ARG 120 19.509 -11.089 -5.062 964 H ALA 121 H ALA 121 22.465 -5.917 3.008 965 HA ALA 121 HA ALA 121 24.162 -4.598 0.962 966 1HB ALA 121 1HB ALA 121 24.195 -2.492 2.582 967 2HB ALA 121 2HB ALA 121 22.615 -3.123 3.090 968 3HB ALA 121 3HB ALA 121 22.892 -2.688 1.376 969 H GLU 122 H GLU 122 26.165 -4.962 1.484 970 HA GLU 122 HA GLU 122 28.023 -5.854 2.515 971 1HB GLU 122 1HB GLU 122 27.680 -3.537 3.453 972 2HB GLU 122 2HB GLU 122 27.232 -4.316 4.978 973 1HG GLU 122 1HG GLU 122 29.645 -5.583 3.984 974 2HG GLU 122 2HG GLU 122 29.909 -3.863 3.858 975 H GLY 123 H GLY 123 25.575 -7.551 2.834 976 1HA GLY 123 1HA GLY 123 25.584 -9.737 3.722 977 2HA GLY 123 2HA GLY 123 26.626 -9.221 5.016 978 H VAL 124 H VAL 124 24.335 -6.882 4.924 979 HA VAL 124 HA VAL 124 22.657 -8.114 7.118 980 HB VAL 124 HB VAL 124 22.890 -5.218 6.256 981 1HG1 VAL 124 1HG1 VAL 124 21.057 -5.156 7.738 982 2HG1 VAL 124 2HG1 VAL 124 22.328 -5.119 8.984 983 3HG1 VAL 124 3HG1 VAL 124 21.576 -6.647 8.559 984 1HG2 VAL 124 1HG2 VAL 124 25.191 -5.697 6.983 985 2HG2 VAL 124 2HG2 VAL 124 24.656 -6.860 8.181 986 3HG2 VAL 124 3HG2 VAL 124 24.379 -5.153 8.485 987 H THR 125 H THR 125 20.241 -7.551 6.961 988 HA THR 125 HA THR 125 19.459 -6.685 4.210 989 HB THR 125 HB THR 125 19.657 -9.253 4.549 990 HG1 THR 125 HG1 THR 125 18.927 -7.996 2.778 991 1HG2 THR 125 1HG2 THR 125 18.000 -9.358 6.522 992 2HG2 THR 125 2HG2 THR 125 17.480 -10.289 5.138 993 3HG2 THR 125 3HG2 THR 125 16.723 -8.705 5.451 994 H CYS 126 H CYS 126 17.939 -5.370 4.172 995 HA CYS 126 HA CYS 126 16.381 -4.567 6.619 996 1HB CYS 126 1HB CYS 126 17.380 -2.621 5.674 997 2HB CYS 126 2HB CYS 126 17.140 -3.258 4.022 998 HG CYS 126 HG CYS 126 15.466 -1.427 5.992 999 H LYS 127 H LYS 127 14.119 -4.557 6.491 1000 HA LYS 127 HA LYS 127 12.805 -5.990 4.206 1001 1HB LYS 127 1HB LYS 127 12.069 -6.178 7.113 1002 2HB LYS 127 2HB LYS 127 11.363 -7.102 5.773 1003 1HG LYS 127 1HG LYS 127 13.724 -7.958 5.302 1004 2HG LYS 127 2HG LYS 127 14.147 -7.427 6.960 1005 1HD LYS 127 1HD LYS 127 13.518 -9.765 6.954 1006 2HD LYS 127 2HD LYS 127 12.239 -8.809 7.780 1007 1HE LYS 127 1HE LYS 127 10.680 -9.060 6.111 1008 2HE LYS 127 2HE LYS 127 11.924 -9.236 4.821 1009 1HZ LYS 127 1HZ LYS 127 10.652 -11.290 6.420 1010 2HZ LYS 127 2HZ LYS 127 12.302 -11.458 6.208 1011 3HZ LYS 127 3HZ LYS 127 11.287 -11.319 4.853 1012 H GLN 128 H GLN 128 11.671 -4.512 3.206 1013 HA GLN 128 HA GLN 128 10.216 -2.418 4.788 1014 1HB GLN 128 1HB GLN 128 12.024 -2.243 2.655 1015 2HB GLN 128 2HB GLN 128 10.436 -2.026 1.949 1016 1HG GLN 128 1HG GLN 128 10.046 -0.410 4.008 1017 2HG GLN 128 2HG GLN 128 11.800 -0.325 4.112 1018 1HE2 GLN 128 1HE2 GLN 128 9.339 1.435 2.991 1019 2HE2 GLN 128 2HE2 GLN 128 10.020 2.121 1.533 1020 H VAL 129 H VAL 129 8.144 -2.919 5.009 1021 HA VAL 129 HA VAL 129 6.664 -4.475 2.902 1022 HB VAL 129 HB VAL 129 5.346 -3.415 5.363 1023 1HG1 VAL 129 1HG1 VAL 129 3.776 -4.545 4.275 1024 2HG1 VAL 129 2HG1 VAL 129 4.515 -6.000 4.959 1025 3HG1 VAL 129 3HG1 VAL 129 4.870 -5.476 3.283 1026 1HG2 VAL 129 1HG2 VAL 129 6.249 -5.385 6.658 1027 2HG2 VAL 129 2HG2 VAL 129 7.656 -4.505 6.070 1028 3HG2 VAL 129 3HG2 VAL 129 7.100 -5.976 5.218 1029 H PHE 130 H PHE 130 5.330 -3.576 1.496 1030 HA PHE 130 HA PHE 130 4.572 -0.680 1.683 1031 1HB PHE 130 1HB PHE 130 4.991 -2.386 -0.826 1032 2HB PHE 130 2HB PHE 130 4.452 -0.711 -0.756 1033 HD1 PHE 130 HD1 PHE 130 5.979 0.937 -1.211 1034 HD2 PHE 130 HD2 PHE 130 7.375 -2.773 0.408 1035 HE1 PHE 130 HE1 PHE 130 8.338 1.745 -1.428 1036 HE2 PHE 130 HE2 PHE 130 9.684 -2.004 0.206 1037 HZ PHE 130 HZ PHE 130 10.181 0.264 -0.712 1038 H LYS 131 H LYS 131 2.696 -0.429 0.089 1039 HA LYS 131 HA LYS 131 0.825 -2.613 -0.241 1040 1HB LYS 131 1HB LYS 131 0.682 -1.369 2.273 1041 2HB LYS 131 2HB LYS 131 -0.344 -0.310 1.296 1042 1HG LYS 131 1HG LYS 131 -1.970 -1.775 1.004 1043 2HG LYS 131 2HG LYS 131 -0.916 -3.188 0.867 1044 1HD LYS 131 1HD LYS 131 -1.770 -3.618 3.023 1045 2HD LYS 131 2HD LYS 131 -0.384 -2.584 3.479 1046 1HE LYS 131 1HE LYS 131 -1.836 -0.593 3.462 1047 2HE LYS 131 2HE LYS 131 -3.235 -1.608 2.941 1048 1HZ LYS 131 1HZ LYS 131 -2.754 -2.890 5.108 1049 2HZ LYS 131 2HZ LYS 131 -3.527 -1.368 5.121 1050 3HZ LYS 131 3HZ LYS 131 -1.920 -1.520 5.570 1051 H LYS 132 H LYS 132 -0.587 -2.129 -1.908 1052 HA LYS 132 HA LYS 132 0.131 0.214 -3.508 1053 1HB LYS 132 1HB LYS 132 -0.751 -2.280 -3.995 1054 2HB LYS 132 2HB LYS 132 -2.301 -1.419 -4.078 1055 1HG LYS 132 1HG LYS 132 -1.151 0.167 -5.793 1056 2HG LYS 132 2HG LYS 132 0.287 -0.894 -5.621 1057 1HD LYS 132 1HD LYS 132 -0.595 -2.341 -7.064 1058 2HD LYS 132 2HD LYS 132 -2.024 -2.581 -6.018 1059 1HE LYS 132 1HE LYS 132 -2.706 -1.845 -8.310 1060 2HE LYS 132 2HE LYS 132 -3.161 -0.619 -7.120 1061 1HZ LYS 132 1HZ LYS 132 -1.845 0.876 -8.022 1062 2HZ LYS 132 2HZ LYS 132 -1.628 -0.158 -9.318 1063 3HZ LYS 132 3HZ LYS 132 -0.531 -0.184 -8.049 1064 H VAL 133 H VAL 133 -0.770 2.094 -3.531 1065 HA VAL 133 HA VAL 133 -3.037 2.614 -1.706 1066 HB VAL 133 HB VAL 133 -1.640 4.788 -3.122 1067 1HG1 VAL 133 1HG1 VAL 133 -3.553 5.357 -1.887 1068 2HG1 VAL 133 2HG1 VAL 133 -2.244 5.886 -0.844 1069 3HG1 VAL 133 3HG1 VAL 133 -3.071 4.348 -0.480 1070 1HG2 VAL 133 1HG2 VAL 133 -0.517 4.367 -0.455 1071 2HG2 VAL 133 2HG2 VAL 133 0.395 4.344 -1.972 1072 3HG2 VAL 133 3HG2 VAL 133 -0.263 2.849 -1.332 1073 H HIS 134 H HIS 134 -2.542 1.745 -4.891 1074 HA HIS 134 HA HIS 134 -4.878 3.328 -5.858 1075 1HB HIS 134 1HB HIS 134 -2.203 2.843 -6.883 1076 2HB HIS 134 2HB HIS 134 -3.431 2.459 -8.102 1077 HD1 HIS 134 HD1 HIS 134 -3.740 5.099 -5.459 1078 HD2 HIS 134 HD2 HIS 134 -3.102 4.826 -9.610 1079 HE1 HIS 134 HE1 HIS 134 -3.905 7.540 -6.331 1080 HE2 HIS 134 HE2 HIS 134 -3.514 7.320 -8.849 Start of MODEL 7 1 1H PRO 1 1H PRO 1 -3.566 -8.016 -13.891 2 2H PRO 1 2H PRO 1 -4.313 -8.954 -15.034 3 HA PRO 1 HA PRO 1 -3.518 -10.526 -13.596 4 1HB PRO 1 1HB PRO 1 -1.412 -11.273 -15.095 5 2HB PRO 1 2HB PRO 1 -3.106 -11.429 -15.671 6 1HG PRO 1 1HG PRO 1 -0.964 -9.528 -16.441 7 2HG PRO 1 2HG PRO 1 -2.443 -9.899 -17.289 8 1HD PRO 1 1HD PRO 1 -1.961 -7.522 -15.600 9 2HD PRO 1 2HD PRO 1 -3.402 -7.883 -16.602 10 H VAL 2 H VAL 2 -0.278 -9.711 -14.638 11 HA VAL 2 HA VAL 2 0.521 -9.168 -11.768 12 HB VAL 2 HB VAL 2 2.725 -10.219 -12.757 13 1HG1 VAL 2 1HG1 VAL 2 2.212 -11.644 -11.034 14 2HG1 VAL 2 2HG1 VAL 2 0.938 -12.460 -11.995 15 3HG1 VAL 2 3HG1 VAL 2 0.562 -11.031 -11.054 16 1HG2 VAL 2 1HG2 VAL 2 1.377 -10.653 -15.005 17 2HG2 VAL 2 2HG2 VAL 2 0.731 -12.086 -14.127 18 3HG2 VAL 2 3HG2 VAL 2 2.449 -11.907 -14.422 19 H ASP 3 H ASP 3 -0.126 -6.990 -13.011 20 HA ASP 3 HA ASP 3 2.055 -5.835 -14.594 21 1HB ASP 3 1HB ASP 3 -0.770 -5.399 -14.106 22 2HB ASP 3 2HB ASP 3 0.230 -3.909 -14.296 23 H PHE 4 H PHE 4 3.701 -5.044 -13.466 24 HA PHE 4 HA PHE 4 3.908 -4.305 -10.761 25 1HB PHE 4 1HB PHE 4 5.519 -3.498 -13.122 26 2HB PHE 4 2HB PHE 4 5.882 -2.936 -11.486 27 HD1 PHE 4 HD1 PHE 4 6.955 -4.586 -9.864 28 HD2 PHE 4 HD2 PHE 4 5.509 -5.830 -13.750 29 HE1 PHE 4 HE1 PHE 4 8.101 -6.706 -9.618 30 HE2 PHE 4 HE2 PHE 4 6.677 -7.976 -13.479 31 HZ PHE 4 HZ PHE 4 7.989 -8.414 -11.376 32 H ASN 5 H ASN 5 2.858 -2.222 -13.489 33 HA ASN 5 HA ASN 5 3.404 0.318 -12.373 34 1HB ASN 5 1HB ASN 5 1.303 1.109 -13.527 35 2HB ASN 5 2HB ASN 5 2.624 0.443 -14.519 36 1HD2 ASN 5 1HD2 ASN 5 1.260 -0.068 -16.225 37 2HD2 ASN 5 2HD2 ASN 5 0.140 -1.427 -16.189 38 H GLY 6 H GLY 6 2.154 1.892 -11.162 39 1HA GLY 6 1HA GLY 6 -0.268 1.860 -10.054 40 2HA GLY 6 2HA GLY 6 0.427 0.577 -9.128 41 H TYR 7 H TYR 7 0.458 1.501 -7.134 42 HA TYR 7 HA TYR 7 2.251 3.804 -6.590 43 1HB TYR 7 1HB TYR 7 -0.700 3.411 -5.769 44 2HB TYR 7 2HB TYR 7 0.378 4.383 -4.810 45 HD1 TYR 7 HD1 TYR 7 -2.136 4.730 -7.021 46 HD2 TYR 7 HD2 TYR 7 1.954 6.024 -6.736 47 HE1 TYR 7 HE1 TYR 7 -2.581 6.609 -8.486 48 HE2 TYR 7 HE2 TYR 7 1.513 7.893 -8.216 49 HH TYR 7 HH TYR 7 -1.004 9.227 -8.766 50 H TRP 8 H TRP 8 2.905 3.612 -4.330 51 HA TRP 8 HA TRP 8 2.046 1.260 -2.808 52 1HB TRP 8 1HB TRP 8 4.678 1.274 -4.235 53 2HB TRP 8 2HB TRP 8 4.542 0.504 -2.669 54 HD1 TRP 8 HD1 TRP 8 1.794 -0.922 -2.685 55 HE1 TRP 8 HE1 TRP 8 1.147 -2.856 -4.283 56 HE3 TRP 8 HE3 TRP 8 5.223 -0.053 -6.389 57 HZ2 TRP 8 HZ2 TRP 8 1.952 -3.879 -6.756 58 HZ3 TRP 8 HZ3 TRP 8 5.209 -1.585 -8.344 59 HH2 TRP 8 HH2 TRP 8 3.576 -3.458 -8.492 60 H LYS 9 H LYS 9 1.599 3.242 -1.543 61 HA LYS 9 HA LYS 9 3.572 4.907 -0.401 62 1HB LYS 9 1HB LYS 9 1.974 5.086 1.572 63 2HB LYS 9 2HB LYS 9 1.391 5.646 0.025 64 1HG LYS 9 1HG LYS 9 -0.306 4.072 -0.066 65 2HG LYS 9 2HG LYS 9 0.770 2.801 0.645 66 1HD LYS 9 1HD LYS 9 0.552 3.788 2.852 67 2HD LYS 9 2HD LYS 9 -0.413 5.139 2.229 68 1HE LYS 9 1HE LYS 9 -1.465 2.787 3.276 69 2HE LYS 9 2HE LYS 9 -2.383 3.876 2.201 70 1HZ LYS 9 1HZ LYS 9 -2.255 1.403 1.722 71 2HZ LYS 9 2HZ LYS 9 -0.724 1.697 1.081 72 3HZ LYS 9 3HZ LYS 9 -2.066 2.469 0.434 73 H MET 10 H MET 10 5.367 4.199 0.724 74 HA MET 10 HA MET 10 5.526 1.552 1.758 75 1HB MET 10 1HB MET 10 7.650 1.865 1.983 76 2HB MET 10 2HB MET 10 7.283 3.348 1.082 77 1HG MET 10 1HG MET 10 7.118 4.574 3.257 78 2HG MET 10 2HG MET 10 7.549 3.089 4.125 79 1HE MET 10 1HE MET 10 9.050 3.737 5.341 80 2HE MET 10 2HE MET 10 10.649 4.520 4.977 81 3HE MET 10 3HE MET 10 10.424 2.806 4.634 82 H LEU 11 H LEU 11 5.505 0.816 3.849 83 HA LEU 11 HA LEU 11 4.165 2.570 5.851 84 1HB LEU 11 1HB LEU 11 4.453 -0.495 5.741 85 2HB LEU 11 2HB LEU 11 3.744 0.277 7.005 86 HG LEU 11 HG LEU 11 2.633 -0.324 4.314 87 1HD1 LEU 11 1HD1 LEU 11 0.752 -0.969 5.681 88 2HD1 LEU 11 2HD1 LEU 11 1.117 0.243 6.883 89 3HD1 LEU 11 3HD1 LEU 11 2.168 -1.210 6.737 90 1HD2 LEU 11 1HD2 LEU 11 2.601 2.187 4.137 91 2HD2 LEU 11 2HD2 LEU 11 1.996 2.362 5.776 92 3HD2 LEU 11 3HD2 LEU 11 0.965 1.669 4.513 93 H SER 12 H SER 12 6.859 0.139 5.545 94 HA SER 12 HA SER 12 8.358 1.641 7.615 95 1HB SER 12 1HB SER 12 7.306 0.383 9.181 96 2HB SER 12 2HB SER 12 7.160 -1.027 8.134 97 HG SER 12 HG SER 12 9.476 0.022 9.351 98 H ASN 13 H ASN 13 10.471 1.116 7.855 99 HA ASN 13 HA ASN 13 11.713 -0.673 5.755 100 1HB ASN 13 1HB ASN 13 13.673 0.960 5.969 101 2HB ASN 13 2HB ASN 13 12.241 1.725 5.222 102 1HD2 ASN 13 1HD2 ASN 13 10.744 2.844 6.933 103 2HD2 ASN 13 2HD2 ASN 13 11.540 3.795 8.146 104 H GLU 14 H GLU 14 12.537 -2.473 6.869 105 HA GLU 14 HA GLU 14 13.050 -2.157 9.767 106 1HB GLU 14 1HB GLU 14 11.851 -4.020 8.376 107 2HB GLU 14 2HB GLU 14 13.463 -4.774 8.627 108 1HG GLU 14 1HG GLU 14 13.232 -4.268 11.092 109 2HG GLU 14 2HG GLU 14 11.679 -3.565 10.816 110 H ASN 15 H ASN 15 15.012 -2.274 10.691 111 HA ASN 15 HA ASN 15 17.310 -2.320 10.979 112 1HB ASN 15 1HB ASN 15 17.049 -4.213 8.660 113 2HB ASN 15 2HB ASN 15 18.564 -3.815 9.486 114 1HD2 ASN 15 1HD2 ASN 15 19.131 -5.054 11.335 115 2HD2 ASN 15 2HD2 ASN 15 17.984 -5.974 12.213 116 H PHE 16 H PHE 16 16.128 -0.195 9.137 117 HA PHE 16 HA PHE 16 17.761 0.303 6.841 118 1HB PHE 16 1HB PHE 16 15.500 1.172 7.498 119 2HB PHE 16 2HB PHE 16 16.358 2.345 8.511 120 HD1 PHE 16 HD1 PHE 16 17.565 4.162 7.545 121 HD2 PHE 16 HD2 PHE 16 15.760 1.237 4.958 122 HE1 PHE 16 HE1 PHE 16 17.946 5.645 5.586 123 HE2 PHE 16 HE2 PHE 16 16.137 2.701 3.046 124 HZ PHE 16 HZ PHE 16 17.231 4.944 3.314 125 H GLU 17 H GLU 17 18.118 1.191 10.329 126 HA GLU 17 HA GLU 17 20.190 3.182 9.867 127 1HB GLU 17 1HB GLU 17 19.793 1.758 12.435 128 2HB GLU 17 2HB GLU 17 20.300 3.420 12.091 129 1HG GLU 17 1HG GLU 17 18.178 4.104 12.364 130 2HG GLU 17 2HG GLU 17 17.645 3.162 10.989 131 H GLU 18 H GLU 18 19.919 -0.240 10.816 132 HA GLU 18 HA GLU 18 22.737 -0.610 11.422 133 1HB GLU 18 1HB GLU 18 20.542 -1.996 12.063 134 2HB GLU 18 2HB GLU 18 21.136 -2.942 10.674 135 1HG GLU 18 1HG GLU 18 22.620 -3.903 12.133 136 2HG GLU 18 2HG GLU 18 23.489 -2.410 11.984 137 H TYR 19 H TYR 19 20.683 -0.462 8.685 138 HA TYR 19 HA TYR 19 22.219 -2.110 6.862 139 1HB TYR 19 1HB TYR 19 19.973 -1.939 6.299 140 2HB TYR 19 2HB TYR 19 19.863 -0.260 6.720 141 HD1 TYR 19 HD1 TYR 19 22.063 -2.153 4.253 142 HD2 TYR 19 HD2 TYR 19 19.263 1.059 4.889 143 HE1 TYR 19 HE1 TYR 19 22.222 -1.491 1.818 144 HE2 TYR 19 HE2 TYR 19 19.468 1.681 2.557 145 HH TYR 19 HH TYR 19 21.026 1.465 0.631 146 H LEU 20 H LEU 20 21.992 1.338 7.650 147 HA LEU 20 HA LEU 20 23.850 2.301 5.570 148 1HB LEU 20 1HB LEU 20 22.859 3.721 8.032 149 2HB LEU 20 2HB LEU 20 23.798 4.415 6.776 150 HG LEU 20 HG LEU 20 20.880 3.842 6.757 151 1HD1 LEU 20 1HD1 LEU 20 20.884 6.119 6.417 152 2HD1 LEU 20 2HD1 LEU 20 21.905 5.956 4.970 153 3HD1 LEU 20 3HD1 LEU 20 22.660 6.028 6.552 154 1HD2 LEU 20 1HD2 LEU 20 22.734 3.379 4.385 155 2HD2 LEU 20 2HD2 LEU 20 21.051 3.934 4.158 156 3HD2 LEU 20 3HD2 LEU 20 21.370 2.359 4.903 157 H ARG 21 H ARG 21 23.992 0.987 8.764 158 HA ARG 21 HA ARG 21 26.577 2.072 9.549 159 1HB ARG 21 1HB ARG 21 24.668 1.250 11.136 160 2HB ARG 21 2HB ARG 21 25.132 -0.365 10.647 161 1HG ARG 21 1HG ARG 21 27.535 0.091 11.439 162 2HG ARG 21 2HG ARG 21 26.897 1.610 12.119 163 1HD ARG 21 1HD ARG 21 26.905 -0.032 13.855 164 2HD ARG 21 2HD ARG 21 25.246 0.293 13.487 165 HE ARG 21 HE ARG 21 25.778 -1.845 11.810 166 1HH1 ARG 21 1HH1 ARG 21 26.324 -1.414 15.326 167 2HH1 ARG 21 2HH1 ARG 21 26.193 -3.126 15.653 168 1HH2 ARG 21 1HH2 ARG 21 25.567 -3.996 12.309 169 2HH2 ARG 21 2HH2 ARG 21 25.743 -4.561 13.939 170 H ALA 22 H ALA 22 25.369 -0.594 7.682 171 HA ALA 22 HA ALA 22 27.385 -2.531 7.896 172 1HB ALA 22 1HB ALA 22 26.196 -2.300 5.222 173 2HB ALA 22 2HB ALA 22 25.032 -2.290 6.602 174 3HB ALA 22 3HB ALA 22 26.186 -3.624 6.466 175 H LEU 23 H LEU 23 26.990 0.039 5.387 176 HA LEU 23 HA LEU 23 29.875 -0.455 4.611 177 1HB LEU 23 1HB LEU 23 29.058 1.028 2.577 178 2HB LEU 23 2HB LEU 23 29.081 -0.709 2.540 179 HG LEU 23 HG LEU 23 26.654 -0.611 3.457 180 1HD1 LEU 23 1HD1 LEU 23 25.555 1.573 2.483 181 2HD1 LEU 23 2HD1 LEU 23 27.194 2.277 2.565 182 3HD1 LEU 23 3HD1 LEU 23 26.424 1.736 4.039 183 1HD2 LEU 23 1HD2 LEU 23 27.704 0.012 0.632 184 2HD2 LEU 23 2HD2 LEU 23 25.952 0.099 0.923 185 3HD2 LEU 23 3HD2 LEU 23 26.820 -1.413 1.234 186 H ASP 24 H ASP 24 28.258 1.518 6.545 187 HA ASP 24 HA ASP 24 28.534 3.647 7.401 188 1HB ASP 24 1HB ASP 24 31.255 4.105 6.565 189 2HB ASP 24 2HB ASP 24 30.530 3.847 8.175 190 H VAL 25 H VAL 25 27.021 4.537 5.834 191 HA VAL 25 HA VAL 25 28.197 6.083 3.592 192 HB VAL 25 HB VAL 25 26.242 4.588 3.298 193 1HG1 VAL 25 1HG1 VAL 25 24.102 6.422 4.064 194 2HG1 VAL 25 2HG1 VAL 25 25.051 5.987 5.492 195 3HG1 VAL 25 3HG1 VAL 25 24.368 4.716 4.495 196 1HG2 VAL 25 1HG2 VAL 25 24.810 6.792 2.251 197 2HG2 VAL 25 2HG2 VAL 25 26.277 6.142 1.442 198 3HG2 VAL 25 3HG2 VAL 25 26.396 7.499 2.543 199 H ASN 26 H ASN 26 28.786 6.900 6.199 200 HA ASN 26 HA ASN 26 29.028 8.986 7.249 201 1HB ASN 26 1HB ASN 26 27.021 10.220 5.488 202 2HB ASN 26 2HB ASN 26 28.301 10.931 6.455 203 1HD2 ASN 26 1HD2 ASN 26 28.677 11.895 4.177 204 2HD2 ASN 26 2HD2 ASN 26 29.814 11.009 3.172 205 H VAL 27 H VAL 27 28.235 9.898 9.043 206 HA VAL 27 HA VAL 27 25.934 8.767 10.381 207 HB VAL 27 HB VAL 27 27.650 11.123 11.153 208 1HG1 VAL 27 1HG1 VAL 27 25.708 9.394 12.785 209 2HG1 VAL 27 2HG1 VAL 27 25.416 11.089 12.283 210 3HG1 VAL 27 3HG1 VAL 27 26.680 10.704 13.439 211 1HG2 VAL 27 1HG2 VAL 27 28.801 8.777 10.770 212 2HG2 VAL 27 2HG2 VAL 27 27.763 8.231 12.128 213 3HG2 VAL 27 3HG2 VAL 27 28.956 9.509 12.362 214 H ALA 28 H ALA 28 26.606 11.876 8.784 215 HA ALA 28 HA ALA 28 24.268 13.266 9.793 216 1HB ALA 28 1HB ALA 28 26.448 14.273 8.845 217 2HB ALA 28 2HB ALA 28 24.885 15.034 8.411 218 3HB ALA 28 3HB ALA 28 25.735 13.949 7.252 219 H LEU 29 H LEU 29 24.941 11.144 7.066 220 HA LEU 29 HA LEU 29 22.543 11.824 5.560 221 1HB LEU 29 1HB LEU 29 24.786 10.950 4.634 222 2HB LEU 29 2HB LEU 29 24.192 9.389 5.132 223 HG LEU 29 HG LEU 29 21.960 10.273 3.909 224 1HD1 LEU 29 1HD1 LEU 29 24.054 11.136 1.875 225 2HD1 LEU 29 2HD1 LEU 29 23.621 12.255 3.182 226 3HD1 LEU 29 3HD1 LEU 29 22.381 11.685 2.052 227 1HD2 LEU 29 1HD2 LEU 29 22.424 8.190 3.050 228 2HD2 LEU 29 2HD2 LEU 29 24.188 8.437 3.314 229 3HD2 LEU 29 3HD2 LEU 29 23.444 9.026 1.842 230 H ARG 30 H ARG 30 23.582 9.419 7.925 231 HA ARG 30 HA ARG 30 21.255 7.682 7.591 232 1HB ARG 30 1HB ARG 30 23.562 7.020 8.570 233 2HB ARG 30 2HB ARG 30 23.009 7.801 10.034 234 1HG ARG 30 1HG ARG 30 20.854 6.387 9.806 235 2HG ARG 30 2HG ARG 30 21.720 5.440 8.573 236 1HD ARG 30 1HD ARG 30 21.794 4.330 10.755 237 2HD ARG 30 2HD ARG 30 23.387 4.706 10.176 238 HE ARG 30 HE ARG 30 23.707 6.092 11.989 239 1HH1 ARG 30 1HH1 ARG 30 20.284 5.705 11.494 240 2HH1 ARG 30 2HH1 ARG 30 19.773 6.592 12.911 241 1HH2 ARG 30 1HH2 ARG 30 23.072 7.286 13.904 242 2HH2 ARG 30 2HH2 ARG 30 21.397 7.479 14.298 243 H LYS 31 H LYS 31 22.122 10.410 9.665 244 HA LYS 31 HA LYS 31 20.088 10.130 11.648 245 1HB LYS 31 1HB LYS 31 22.304 11.731 11.223 246 2HB LYS 31 2HB LYS 31 20.924 12.873 11.158 247 1HG LYS 31 1HG LYS 31 21.356 12.905 13.451 248 2HG LYS 31 2HG LYS 31 20.183 11.574 13.387 249 1HD LYS 31 1HD LYS 31 22.421 10.175 12.875 250 2HD LYS 31 2HD LYS 31 23.191 11.576 13.676 251 1HE LYS 31 1HE LYS 31 20.861 10.062 15.011 252 2HE LYS 31 2HE LYS 31 22.563 9.480 15.098 253 1HZ LYS 31 1HZ LYS 31 21.599 11.091 16.870 254 2HZ LYS 31 2HZ LYS 31 21.940 12.290 15.712 255 3HZ LYS 31 3HZ LYS 31 23.163 11.273 16.346 256 H ILE 32 H ILE 32 20.347 11.819 8.542 257 HA ILE 32 HA ILE 32 17.806 13.165 8.746 258 HB ILE 32 HB ILE 32 19.884 12.831 6.572 259 1HG1 ILE 32 1HG1 ILE 32 18.884 15.249 8.169 260 2HG1 ILE 32 2HG1 ILE 32 20.284 14.267 8.549 261 1HG2 ILE 32 1HG2 ILE 32 18.457 14.461 5.209 262 2HG2 ILE 32 2HG2 ILE 32 17.167 14.258 6.398 263 3HG2 ILE 32 3HG2 ILE 32 17.679 12.870 5.395 264 1HD1 ILE 32 1HD1 ILE 32 20.243 15.381 5.753 265 2HD1 ILE 32 2HD1 ILE 32 21.605 15.185 6.849 266 3HD1 ILE 32 3HD1 ILE 32 20.459 16.513 7.109 267 H ALA 33 H ALA 33 19.113 10.604 6.568 268 HA ALA 33 HA ALA 33 16.869 9.965 5.102 269 1HB ALA 33 1HB ALA 33 17.917 7.858 4.660 270 2HB ALA 33 2HB ALA 33 19.031 8.119 6.044 271 3HB ALA 33 3HB ALA 33 19.114 9.181 4.599 272 H ASN 34 H ASN 34 17.550 8.938 8.466 273 HA ASN 34 HA ASN 34 15.790 6.704 8.645 274 1HB ASN 34 1HB ASN 34 17.034 6.712 10.388 275 2HB ASN 34 2HB ASN 34 17.074 8.497 10.493 276 1HD2 ASN 34 1HD2 ASN 34 14.656 5.812 10.669 277 2HD2 ASN 34 2HD2 ASN 34 13.837 6.358 12.095 278 H LEU 35 H LEU 35 15.140 10.195 8.652 279 HA LEU 35 HA LEU 35 12.333 9.733 9.562 280 1HB LEU 35 1HB LEU 35 13.697 12.356 9.125 281 2HB LEU 35 2HB LEU 35 12.103 12.034 9.832 282 HG LEU 35 HG LEU 35 13.658 12.371 11.704 283 1HD1 LEU 35 1HD1 LEU 35 13.389 9.305 11.264 284 2HD1 LEU 35 2HD1 LEU 35 12.137 10.397 11.943 285 3HD1 LEU 35 3HD1 LEU 35 13.661 10.166 12.784 286 1HD2 LEU 35 1HD2 LEU 35 15.789 11.728 10.104 287 2HD2 LEU 35 2HD2 LEU 35 15.524 10.149 10.875 288 3HD2 LEU 35 3HD2 LEU 35 15.866 11.533 11.874 289 H LEU 36 H LEU 36 14.041 9.846 6.642 290 HA LEU 36 HA LEU 36 11.813 11.098 5.096 291 1HB LEU 36 1HB LEU 36 14.402 9.861 4.067 292 2HB LEU 36 2HB LEU 36 13.367 10.861 3.239 293 HG LEU 36 HG LEU 36 15.195 11.640 5.555 294 1HD1 LEU 36 1HD1 LEU 36 16.600 11.496 3.670 295 2HD1 LEU 36 2HD1 LEU 36 16.039 13.173 3.469 296 3HD1 LEU 36 3HD1 LEU 36 15.343 11.850 2.517 297 1HD2 LEU 36 1HD2 LEU 36 14.456 14.087 4.936 298 2HD2 LEU 36 2HD2 LEU 36 13.297 13.097 5.806 299 3HD2 LEU 36 3HD2 LEU 36 13.079 13.342 4.085 300 H LYS 37 H LYS 37 10.199 9.751 4.793 301 HA LYS 37 HA LYS 37 10.793 6.928 3.928 302 1HB LYS 37 1HB LYS 37 8.219 7.869 5.309 303 2HB LYS 37 2HB LYS 37 8.769 6.217 5.101 304 1HG LYS 37 1HG LYS 37 10.819 6.992 6.564 305 2HG LYS 37 2HG LYS 37 9.824 8.444 6.903 306 1HD LYS 37 1HD LYS 37 8.085 7.204 7.931 307 2HD LYS 37 2HD LYS 37 8.751 5.628 7.466 308 1HE LYS 37 1HE LYS 37 9.598 5.690 9.638 309 2HE LYS 37 2HE LYS 37 10.908 6.669 8.860 310 1HZ LYS 37 1HZ LYS 37 9.869 8.638 9.663 311 2HZ LYS 37 2HZ LYS 37 9.856 7.533 10.942 312 3HZ LYS 37 3HZ LYS 37 8.445 7.839 10.104 313 HA PRO 38 HA PRO 38 8.991 9.122 0.308 314 1HB PRO 38 1HB PRO 38 10.301 6.955 -1.177 315 2HB PRO 38 2HB PRO 38 10.593 8.735 -1.200 316 1HG PRO 38 1HG PRO 38 12.395 6.867 -0.245 317 2HG PRO 38 2HG PRO 38 12.351 8.558 0.310 318 1HD PRO 38 1HD PRO 38 11.193 6.105 1.590 319 2HD PRO 38 2HD PRO 38 11.934 7.550 2.319 320 H ASP 39 H ASP 39 7.801 8.352 -1.683 321 HA ASP 39 HA ASP 39 6.203 5.888 -1.054 322 1HB ASP 39 1HB ASP 39 5.319 8.689 -1.825 323 2HB ASP 39 2HB ASP 39 4.485 7.368 -2.652 324 H LYS 40 H LYS 40 6.784 4.425 -2.537 325 HA LYS 40 HA LYS 40 8.094 5.237 -5.030 326 1HB LYS 40 1HB LYS 40 7.555 2.605 -3.695 327 2HB LYS 40 2HB LYS 40 7.804 2.653 -5.444 328 1HG LYS 40 1HG LYS 40 9.979 3.205 -5.337 329 2HG LYS 40 2HG LYS 40 9.792 4.264 -3.911 330 1HD LYS 40 1HD LYS 40 10.057 2.493 -2.382 331 2HD LYS 40 2HD LYS 40 9.426 1.270 -3.492 332 1HE LYS 40 1HE LYS 40 12.208 2.527 -3.518 333 2HE LYS 40 2HE LYS 40 11.787 0.878 -3.168 334 1HZ LYS 40 1HZ LYS 40 11.688 2.266 -5.784 335 2HZ LYS 40 2HZ LYS 40 10.904 0.781 -5.516 336 3HZ LYS 40 3HZ LYS 40 12.577 0.921 -5.371 337 H GLU 41 H GLU 41 7.346 5.188 -6.998 338 HA GLU 41 HA GLU 41 4.595 4.171 -7.551 339 1HB GLU 41 1HB GLU 41 4.405 6.661 -7.545 340 2HB GLU 41 2HB GLU 41 5.921 6.807 -8.473 341 1HG GLU 41 1HG GLU 41 4.279 5.176 -10.142 342 2HG GLU 41 2HG GLU 41 3.167 6.345 -9.452 343 H ILE 42 H ILE 42 5.005 2.423 -8.729 344 HA ILE 42 HA ILE 42 7.402 2.457 -10.560 345 HB ILE 42 HB ILE 42 5.589 0.121 -9.885 346 1HG1 ILE 42 1HG1 ILE 42 7.819 1.442 -8.381 347 2HG1 ILE 42 2HG1 ILE 42 6.436 0.546 -7.768 348 1HG2 ILE 42 1HG2 ILE 42 7.315 -1.238 -10.842 349 2HG2 ILE 42 2HG2 ILE 42 8.518 0.077 -10.833 350 3HG2 ILE 42 3HG2 ILE 42 7.154 0.079 -11.987 351 1HD1 ILE 42 1HD1 ILE 42 7.956 -1.458 -9.004 352 2HD1 ILE 42 2HD1 ILE 42 7.912 -1.075 -7.262 353 3HD1 ILE 42 3HD1 ILE 42 9.150 -0.337 -8.259 354 H VAL 43 H VAL 43 7.314 2.040 -12.646 355 HA VAL 43 HA VAL 43 4.685 1.901 -14.007 356 HB VAL 43 HB VAL 43 5.996 3.787 -15.567 357 1HG1 VAL 43 1HG1 VAL 43 4.115 4.699 -13.350 358 2HG1 VAL 43 2HG1 VAL 43 3.519 3.505 -14.502 359 3HG1 VAL 43 3HG1 VAL 43 4.039 5.128 -15.068 360 1HG2 VAL 43 1HG2 VAL 43 6.331 4.707 -12.642 361 2HG2 VAL 43 2HG2 VAL 43 6.626 5.696 -14.074 362 3HG2 VAL 43 3HG2 VAL 43 7.669 4.304 -13.734 363 H GLN 44 H GLN 44 4.818 0.574 -15.650 364 HA GLN 44 HA GLN 44 7.543 -0.286 -16.639 365 1HB GLN 44 1HB GLN 44 6.136 -1.908 -15.221 366 2HB GLN 44 2HB GLN 44 4.979 -1.884 -16.504 367 1HG GLN 44 1HG GLN 44 7.375 -2.479 -17.888 368 2HG GLN 44 2HG GLN 44 7.643 -3.260 -16.366 369 1HE2 GLN 44 1HE2 GLN 44 4.573 -2.745 -18.324 370 2HE2 GLN 44 2HE2 GLN 44 4.141 -4.400 -18.363 371 H ASP 45 H ASP 45 7.684 -0.334 -18.943 372 HA ASP 45 HA ASP 45 5.255 0.682 -20.414 373 1HB ASP 45 1HB ASP 45 6.825 2.518 -20.204 374 2HB ASP 45 2HB ASP 45 8.183 1.439 -20.601 375 H GLY 46 H GLY 46 8.573 -0.515 -21.161 376 1HA GLY 46 1HA GLY 46 7.565 -2.988 -22.203 377 2HA GLY 46 2HA GLY 46 7.918 -1.787 -23.533 378 H ASP 47 H ASP 47 9.356 -3.769 -21.025 379 HA ASP 47 HA ASP 47 11.556 -4.434 -20.663 380 1HB ASP 47 1HB ASP 47 12.275 -3.413 -23.374 381 2HB ASP 47 2HB ASP 47 13.086 -4.630 -22.374 382 H HIS 48 H HIS 48 10.504 -1.540 -20.315 383 HA HIS 48 HA HIS 48 13.160 -0.306 -19.664 384 1HB HIS 48 1HB HIS 48 10.907 0.771 -21.403 385 2HB HIS 48 2HB HIS 48 11.824 1.896 -20.393 386 HD1 HIS 48 HD1 HIS 48 11.769 0.686 -23.699 387 HD2 HIS 48 HD2 HIS 48 14.880 1.367 -20.896 388 HE1 HIS 48 HE1 HIS 48 13.940 0.911 -25.017 389 HE2 HIS 48 HE2 HIS 48 15.767 1.302 -23.315 390 H MET 49 H MET 49 12.551 -1.323 -17.660 391 HA MET 49 HA MET 49 10.120 -0.398 -16.327 392 1HB MET 49 1HB MET 49 11.611 -2.553 -16.151 393 2HB MET 49 2HB MET 49 12.525 -1.574 -14.996 394 1HG MET 49 1HG MET 49 10.782 -1.415 -13.488 395 2HG MET 49 2HG MET 49 9.543 -1.716 -14.715 396 1HE MET 49 1HE MET 49 8.523 -4.805 -13.069 397 2HE MET 49 2HE MET 49 8.439 -4.606 -14.834 398 3HE MET 49 3HE MET 49 8.146 -3.183 -13.756 399 H ILE 50 H ILE 50 9.838 1.394 -15.307 400 HA ILE 50 HA ILE 50 12.245 3.015 -14.465 401 HB ILE 50 HB ILE 50 9.326 3.897 -14.854 402 1HG1 ILE 50 1HG1 ILE 50 11.688 4.613 -16.604 403 2HG1 ILE 50 2HG1 ILE 50 10.562 3.304 -16.976 404 1HG2 ILE 50 1HG2 ILE 50 10.099 6.149 -14.423 405 2HG2 ILE 50 2HG2 ILE 50 11.808 5.685 -14.497 406 3HG2 ILE 50 3HG2 ILE 50 10.764 5.132 -13.141 407 1HD1 ILE 50 1HD1 ILE 50 9.885 6.282 -16.669 408 2HD1 ILE 50 2HD1 ILE 50 8.651 5.058 -16.795 409 3HD1 ILE 50 3HD1 ILE 50 9.768 5.307 -18.167 410 H ILE 51 H ILE 51 12.442 3.632 -12.408 411 HA ILE 51 HA ILE 51 10.235 2.906 -10.488 412 HB ILE 51 HB ILE 51 13.197 2.233 -10.271 413 1HG1 ILE 51 1HG1 ILE 51 12.318 0.034 -9.390 414 2HG1 ILE 51 2HG1 ILE 51 10.728 0.591 -9.751 415 1HG2 ILE 51 1HG2 ILE 51 12.846 1.816 -7.820 416 2HG2 ILE 51 2HG2 ILE 51 11.142 2.283 -7.907 417 3HG2 ILE 51 3HG2 ILE 51 12.449 3.491 -8.133 418 1HD1 ILE 51 1HD1 ILE 51 11.004 0.176 -12.066 419 2HD1 ILE 51 2HD1 ILE 51 12.390 -0.807 -11.600 420 3HD1 ILE 51 3HD1 ILE 51 12.611 0.869 -12.123 421 H ARG 52 H ARG 52 9.562 4.828 -9.848 422 HA ARG 52 HA ARG 52 11.585 6.969 -9.471 423 1HB ARG 52 1HB ARG 52 8.735 6.793 -10.245 424 2HB ARG 52 2HB ARG 52 9.170 8.133 -9.137 425 1HG ARG 52 1HG ARG 52 10.553 9.159 -10.742 426 2HG ARG 52 2HG ARG 52 10.699 7.689 -11.738 427 1HD ARG 52 1HD ARG 52 8.163 7.870 -12.005 428 2HD ARG 52 2HD ARG 52 8.271 9.487 -11.304 429 HE ARG 52 HE ARG 52 10.177 9.464 -13.395 430 1HH1 ARG 52 1HH1 ARG 52 6.635 9.150 -13.109 431 2HH1 ARG 52 2HH1 ARG 52 6.390 9.807 -14.674 432 1HH2 ARG 52 1HH2 ARG 52 9.783 10.361 -15.451 433 2HH2 ARG 52 2HH2 ARG 52 8.136 10.487 -15.930 434 H THR 53 H THR 53 12.280 7.187 -7.411 435 HA THR 53 HA THR 53 10.422 6.559 -5.134 436 HB THR 53 HB THR 53 13.403 6.474 -5.608 437 HG1 THR 53 HG1 THR 53 12.376 4.546 -5.562 438 1HG2 THR 53 1HG2 THR 53 11.921 6.965 -2.944 439 2HG2 THR 53 2HG2 THR 53 13.192 8.010 -3.624 440 3HG2 THR 53 3HG2 THR 53 13.618 6.439 -2.956 441 H LEU 54 H LEU 54 9.664 8.275 -4.204 442 HA LEU 54 HA LEU 54 10.590 11.025 -4.926 443 1HB LEU 54 1HB LEU 54 7.881 10.074 -4.354 444 2HB LEU 54 2HB LEU 54 8.365 11.729 -4.598 445 HG LEU 54 HG LEU 54 9.126 9.488 -6.520 446 1HD1 LEU 54 1HD1 LEU 54 7.164 9.376 -7.590 447 2HD1 LEU 54 2HD1 LEU 54 6.726 11.044 -7.350 448 3HD1 LEU 54 3HD1 LEU 54 6.508 9.855 -6.030 449 1HD2 LEU 54 1HD2 LEU 54 10.300 11.486 -7.222 450 2HD2 LEU 54 2HD2 LEU 54 8.992 12.559 -6.711 451 3HD2 LEU 54 3HD2 LEU 54 8.816 11.591 -8.194 452 H SER 55 H SER 55 11.901 11.524 -3.219 453 HA SER 55 HA SER 55 10.749 11.759 -0.484 454 1HB SER 55 1HB SER 55 13.072 11.945 0.313 455 2HB SER 55 2HB SER 55 13.036 10.544 -0.766 456 HG SER 55 HG SER 55 13.614 12.408 -2.374 457 H THR 56 H THR 56 10.601 13.950 0.363 458 HA THR 56 HA THR 56 10.876 16.009 -1.774 459 HB THR 56 HB THR 56 10.184 17.488 0.369 460 HG1 THR 56 HG1 THR 56 8.770 16.026 1.574 461 1HG2 THR 56 1HG2 THR 56 8.900 17.074 -1.812 462 2HG2 THR 56 2HG2 THR 56 7.815 17.219 -0.451 463 3HG2 THR 56 3HG2 THR 56 8.222 15.597 -1.078 464 H PHE 57 H PHE 57 13.235 14.615 -0.044 465 HA PHE 57 HA PHE 57 14.566 17.252 0.523 466 1HB PHE 57 1HB PHE 57 14.324 15.532 2.404 467 2HB PHE 57 2HB PHE 57 15.484 14.551 1.532 468 HD1 PHE 57 HD1 PHE 57 15.121 17.521 3.664 469 HD2 PHE 57 HD2 PHE 57 17.805 15.356 1.095 470 HE1 PHE 57 HE1 PHE 57 17.044 18.785 4.639 471 HE2 PHE 57 HE2 PHE 57 19.723 16.579 2.025 472 HZ PHE 57 HZ PHE 57 19.331 18.305 3.825 473 H ARG 58 H ARG 58 15.068 13.949 -0.875 474 HA ARG 58 HA ARG 58 16.568 15.138 -3.064 475 1HB ARG 58 1HB ARG 58 18.195 15.192 -1.213 476 2HB ARG 58 2HB ARG 58 18.078 13.471 -0.984 477 1HG ARG 58 1HG ARG 58 20.105 14.028 -2.326 478 2HG ARG 58 2HG ARG 58 18.937 13.031 -3.249 479 1HD ARG 58 1HD ARG 58 18.436 15.912 -3.519 480 2HD ARG 58 2HD ARG 58 20.075 15.442 -4.029 481 HE ARG 58 HE ARG 58 17.895 13.788 -5.065 482 1HH1 ARG 58 1HH1 ARG 58 20.127 16.451 -5.739 483 2HH1 ARG 58 2HH1 ARG 58 19.932 16.362 -7.444 484 1HH2 ARG 58 1HH2 ARG 58 17.637 13.667 -7.385 485 2HH2 ARG 58 2HH2 ARG 58 18.539 14.792 -8.349 486 H ASN 59 H ASN 59 15.440 14.008 -4.552 487 HA ASN 59 HA ASN 59 14.787 11.173 -4.203 488 1HB ASN 59 1HB ASN 59 14.730 12.195 -7.008 489 2HB ASN 59 2HB ASN 59 13.424 11.426 -6.059 490 1HD2 ASN 59 1HD2 ASN 59 12.557 12.973 -4.266 491 2HD2 ASN 59 2HD2 ASN 59 12.200 14.593 -4.749 492 H TYR 60 H TYR 60 15.263 9.605 -6.092 493 HA TYR 60 HA TYR 60 17.907 10.127 -7.259 494 1HB TYR 60 1HB TYR 60 19.186 8.504 -6.278 495 2HB TYR 60 2HB TYR 60 18.299 9.273 -4.928 496 HD1 TYR 60 HD1 TYR 60 19.623 6.454 -5.273 497 HD2 TYR 60 HD2 TYR 60 15.514 7.743 -5.422 498 HE1 TYR 60 HE1 TYR 60 18.948 4.222 -4.589 499 HE2 TYR 60 HE2 TYR 60 14.863 5.474 -4.744 500 HH TYR 60 HH TYR 60 16.130 2.971 -5.039 501 H ILE 61 H ILE 61 15.832 10.081 -8.642 502 HA ILE 61 HA ILE 61 14.336 7.990 -9.489 503 HB ILE 61 HB ILE 61 15.642 9.695 -11.572 504 1HG1 ILE 61 1HG1 ILE 61 14.941 11.440 -10.115 505 2HG1 ILE 61 2HG1 ILE 61 13.546 11.237 -11.118 506 1HG2 ILE 61 1HG2 ILE 61 12.975 9.392 -12.197 507 2HG2 ILE 61 2HG2 ILE 61 13.304 7.856 -11.340 508 3HG2 ILE 61 3HG2 ILE 61 14.234 8.320 -12.768 509 1HD1 ILE 61 1HD1 ILE 61 12.714 9.557 -9.142 510 2HD1 ILE 61 2HD1 ILE 61 12.597 11.316 -8.971 511 3HD1 ILE 61 3HD1 ILE 61 13.942 10.440 -8.195 512 H MET 62 H MET 62 14.475 6.139 -10.582 513 HA MET 62 HA MET 62 17.218 5.292 -11.529 514 1HB MET 62 1HB MET 62 14.803 3.468 -11.058 515 2HB MET 62 2HB MET 62 16.522 3.059 -11.039 516 1HG MET 62 1HG MET 62 16.304 4.878 -8.918 517 2HG MET 62 2HG MET 62 14.819 3.913 -8.822 518 1HE MET 62 1HE MET 62 18.021 2.894 -6.484 519 2HE MET 62 2HE MET 62 17.625 4.462 -7.233 520 3HE MET 62 3HE MET 62 18.919 3.432 -7.934 521 H ASP 63 H ASP 63 16.771 3.417 -13.320 522 HA ASP 63 HA ASP 63 14.591 3.922 -15.156 523 1HB ASP 63 1HB ASP 63 16.302 4.591 -16.986 524 2HB ASP 63 2HB ASP 63 15.706 5.839 -15.865 525 H PHE 64 H PHE 64 14.553 1.663 -14.690 526 HA PHE 64 HA PHE 64 16.946 0.048 -15.310 527 1HB PHE 64 1HB PHE 64 14.325 -0.445 -13.928 528 2HB PHE 64 2HB PHE 64 15.222 -1.828 -14.605 529 HD1 PHE 64 HD1 PHE 64 16.035 -2.944 -12.606 530 HD2 PHE 64 HD2 PHE 64 16.661 1.235 -13.135 531 HE1 PHE 64 HE1 PHE 64 17.539 -2.977 -10.667 532 HE2 PHE 64 HE2 PHE 64 18.189 1.304 -11.214 533 HZ PHE 64 HZ PHE 64 18.641 -0.863 -9.935 534 H GLN 65 H GLN 65 16.727 -2.059 -16.403 535 HA GLN 65 HA GLN 65 14.779 -1.885 -18.678 536 1HB GLN 65 1HB GLN 65 17.438 -3.088 -19.243 537 2HB GLN 65 2HB GLN 65 16.367 -2.183 -20.322 538 1HG GLN 65 1HG GLN 65 17.678 -0.541 -18.176 539 2HG GLN 65 2HG GLN 65 18.796 -1.282 -19.299 540 1HE2 GLN 65 1HE2 GLN 65 17.654 -1.168 -21.721 541 2HE2 GLN 65 2HE2 GLN 65 17.159 0.423 -22.187 542 H VAL 66 H VAL 66 13.673 -3.746 -18.706 543 HA VAL 66 HA VAL 66 14.366 -5.871 -16.800 544 HB VAL 66 HB VAL 66 12.064 -5.981 -18.781 545 1HG1 VAL 66 1HG1 VAL 66 11.092 -7.467 -17.022 546 2HG1 VAL 66 2HG1 VAL 66 12.560 -7.160 -16.026 547 3HG1 VAL 66 3HG1 VAL 66 12.709 -8.022 -17.545 548 1HG2 VAL 66 1HG2 VAL 66 10.729 -5.092 -16.743 549 2HG2 VAL 66 2HG2 VAL 66 11.606 -3.890 -17.661 550 3HG2 VAL 66 3HG2 VAL 66 12.301 -4.487 -16.120 551 H GLY 67 H GLY 67 16.206 -6.967 -17.486 552 1HA GLY 67 1HA GLY 67 16.771 -9.085 -18.518 553 2HA GLY 67 2HA GLY 67 15.813 -8.642 -19.880 554 H LYS 68 H LYS 68 18.218 -6.514 -18.326 555 HA LYS 68 HA LYS 68 20.219 -6.885 -20.453 556 1HB LYS 68 1HB LYS 68 18.462 -5.462 -21.469 557 2HB LYS 68 2HB LYS 68 18.811 -4.263 -20.255 558 1HG LYS 68 1HG LYS 68 21.388 -4.622 -21.135 559 2HG LYS 68 2HG LYS 68 20.502 -5.140 -22.588 560 1HD LYS 68 1HD LYS 68 19.511 -2.578 -21.418 561 2HD LYS 68 2HD LYS 68 21.169 -2.506 -22.010 562 1HE LYS 68 1HE LYS 68 19.040 -2.019 -23.583 563 2HE LYS 68 2HE LYS 68 20.474 -2.817 -24.266 564 1HZ LYS 68 1HZ LYS 68 18.202 -4.351 -23.160 565 2HZ LYS 68 2HZ LYS 68 19.342 -4.833 -24.342 566 3HZ LYS 68 3HZ LYS 68 18.152 -3.720 -24.694 567 H GLU 69 H GLU 69 22.154 -6.080 -19.947 568 HA GLU 69 HA GLU 69 22.577 -5.089 -17.172 569 1HB GLU 69 1HB GLU 69 24.057 -6.878 -17.964 570 2HB GLU 69 2HB GLU 69 24.467 -5.965 -19.401 571 1HG GLU 69 1HG GLU 69 25.302 -4.167 -17.485 572 2HG GLU 69 2HG GLU 69 25.416 -5.664 -16.569 573 H PHE 70 H PHE 70 22.973 -2.978 -16.760 574 HA PHE 70 HA PHE 70 24.130 -1.263 -18.863 575 1HB PHE 70 1HB PHE 70 22.353 0.369 -18.779 576 2HB PHE 70 2HB PHE 70 21.689 -1.187 -19.215 577 HD1 PHE 70 HD1 PHE 70 20.560 -2.601 -17.321 578 HD2 PHE 70 HD2 PHE 70 21.554 1.555 -16.789 579 HE1 PHE 70 HE1 PHE 70 19.024 -2.452 -15.434 580 HE2 PHE 70 HE2 PHE 70 20.012 1.708 -14.889 581 HZ PHE 70 HZ PHE 70 18.729 -0.284 -14.181 582 H GLU 71 H GLU 71 24.984 -2.213 -16.183 583 HA GLU 71 HA GLU 71 25.738 -1.508 -14.089 584 1HB GLU 71 1HB GLU 71 27.383 0.226 -14.289 585 2HB GLU 71 2HB GLU 71 27.541 -1.072 -15.490 586 1HG GLU 71 1HG GLU 71 25.960 1.363 -16.411 587 2HG GLU 71 2HG GLU 71 27.655 1.664 -16.049 588 H GLU 72 H GLU 72 23.766 -1.132 -13.155 589 HA GLU 72 HA GLU 72 21.884 0.620 -13.000 590 1HB GLU 72 1HB GLU 72 21.910 -0.856 -11.296 591 2HB GLU 72 2HB GLU 72 23.546 -0.458 -10.809 592 1HG GLU 72 1HG GLU 72 22.799 1.666 -9.842 593 2HG GLU 72 2HG GLU 72 21.186 1.516 -10.507 594 H ASP 73 H ASP 73 25.148 1.494 -11.811 595 HA ASP 73 HA ASP 73 26.180 3.500 -11.535 596 1HB ASP 73 1HB ASP 73 24.190 4.077 -13.461 597 2HB ASP 73 2HB ASP 73 24.075 5.358 -12.246 598 H LEU 74 H LEU 74 26.136 3.193 -9.285 599 HA LEU 74 HA LEU 74 23.879 4.456 -7.828 600 1HB LEU 74 1HB LEU 74 25.572 2.155 -7.362 601 2HB LEU 74 2HB LEU 74 25.335 3.142 -5.928 602 HG LEU 74 HG LEU 74 23.127 2.106 -7.790 603 1HD1 LEU 74 1HD1 LEU 74 22.491 0.626 -5.914 604 2HD1 LEU 74 2HD1 LEU 74 23.976 1.131 -5.054 605 3HD1 LEU 74 3HD1 LEU 74 24.080 0.261 -6.619 606 1HD2 LEU 74 1HD2 LEU 74 23.140 4.290 -5.913 607 2HD2 LEU 74 2HD2 LEU 74 22.314 2.975 -5.070 608 3HD2 LEU 74 3HD2 LEU 74 21.708 3.539 -6.645 609 H THR 75 H THR 75 25.037 6.494 -8.629 610 HA THR 75 HA THR 75 27.224 7.264 -6.758 611 HB THR 75 HB THR 75 27.884 8.948 -8.284 612 HG1 THR 75 HG1 THR 75 25.482 8.411 -9.690 613 1HG2 THR 75 1HG2 THR 75 27.189 7.051 -10.543 614 2HG2 THR 75 2HG2 THR 75 27.690 6.178 -9.092 615 3HG2 THR 75 3HG2 THR 75 28.749 7.380 -9.840 616 H GLY 76 H GLY 76 24.416 7.072 -6.019 617 1HA GLY 76 1HA GLY 76 23.675 9.953 -5.600 618 2HA GLY 76 2HA GLY 76 22.525 8.582 -5.758 619 H ILE 77 H ILE 77 24.276 6.789 -3.969 620 HA ILE 77 HA ILE 77 23.871 8.326 -1.439 621 HB ILE 77 HB ILE 77 23.280 5.544 -1.077 622 1HG1 ILE 77 1HG1 ILE 77 20.888 5.730 -2.091 623 2HG1 ILE 77 2HG1 ILE 77 21.466 7.052 -3.085 624 1HG2 ILE 77 1HG2 ILE 77 22.567 7.072 0.650 625 2HG2 ILE 77 2HG2 ILE 77 21.013 6.796 -0.162 626 3HG2 ILE 77 3HG2 ILE 77 21.923 8.235 -0.546 627 1HD1 ILE 77 1HD1 ILE 77 21.671 4.265 -3.651 628 2HD1 ILE 77 2HD1 ILE 77 23.337 4.890 -3.524 629 3HD1 ILE 77 3HD1 ILE 77 22.211 5.596 -4.655 630 H ASP 78 H ASP 78 24.786 4.924 -2.060 631 HA ASP 78 HA ASP 78 27.160 5.259 -0.387 632 1HB ASP 78 1HB ASP 78 27.374 2.861 -0.564 633 2HB ASP 78 2HB ASP 78 25.800 3.354 0.039 634 H ASP 79 H ASP 79 27.321 6.593 -2.931 635 HA ASP 79 HA ASP 79 28.380 6.513 -5.051 636 1HB ASP 79 1HB ASP 79 29.452 7.895 -3.354 637 2HB ASP 79 2HB ASP 79 30.674 6.623 -3.155 638 H ARG 80 H ARG 80 28.014 4.115 -5.678 639 HA ARG 80 HA ARG 80 30.661 2.906 -6.258 640 1HB ARG 80 1HB ARG 80 30.465 2.053 -4.097 641 2HB ARG 80 2HB ARG 80 28.767 1.603 -4.359 642 1HG ARG 80 1HG ARG 80 29.299 -0.199 -5.747 643 2HG ARG 80 2HG ARG 80 30.878 0.480 -6.191 644 1HD ARG 80 1HD ARG 80 30.223 -1.471 -4.161 645 2HD ARG 80 2HD ARG 80 31.819 -0.934 -4.746 646 HE ARG 80 HE ARG 80 32.014 0.629 -3.064 647 1HH1 ARG 80 1HH1 ARG 80 28.900 -1.089 -2.815 648 2HH1 ARG 80 2HH1 ARG 80 28.581 -0.572 -1.187 649 1HH2 ARG 80 1HH2 ARG 80 31.520 1.295 -0.875 650 2HH2 ARG 80 2HH2 ARG 80 30.060 0.786 -0.110 651 H LYS 81 H LYS 81 30.119 2.999 -8.443 652 HA LYS 81 HA LYS 81 27.662 2.032 -9.545 653 1HB LYS 81 1HB LYS 81 28.752 3.329 -11.090 654 2HB LYS 81 2HB LYS 81 30.352 2.798 -10.586 655 1HG LYS 81 1HG LYS 81 30.326 0.954 -12.049 656 2HG LYS 81 2HG LYS 81 28.550 0.847 -12.076 657 1HD LYS 81 1HD LYS 81 29.068 1.789 -14.225 658 2HD LYS 81 2HD LYS 81 28.575 3.164 -13.205 659 1HE LYS 81 1HE LYS 81 30.821 3.880 -12.790 660 2HE LYS 81 2HE LYS 81 31.509 2.395 -13.438 661 1HZ LYS 81 1HZ LYS 81 31.790 3.585 -15.285 662 2HZ LYS 81 2HZ LYS 81 30.719 4.801 -14.802 663 3HZ LYS 81 3HZ LYS 81 30.174 3.389 -15.601 664 H CYS 82 H CYS 82 27.085 -0.015 -9.899 665 HA CYS 82 HA CYS 82 29.226 -2.155 -9.703 666 1HB CYS 82 1HB CYS 82 26.314 -2.083 -8.738 667 2HB CYS 82 2HB CYS 82 27.183 -3.602 -9.022 668 HG CYS 82 HG CYS 82 26.768 -2.843 -6.460 669 H MET 83 H MET 83 28.447 -4.192 -10.697 670 HA MET 83 HA MET 83 27.378 -3.576 -13.388 671 1HB MET 83 1HB MET 83 28.890 -5.996 -12.185 672 2HB MET 83 2HB MET 83 28.131 -6.056 -13.781 673 1HG MET 83 1HG MET 83 29.678 -3.880 -14.156 674 2HG MET 83 2HG MET 83 30.620 -4.647 -12.860 675 1HE MET 83 1HE MET 83 32.868 -5.521 -15.916 676 2HE MET 83 2HE MET 83 32.987 -5.329 -14.118 677 3HE MET 83 3HE MET 83 32.219 -4.067 -15.089 678 H THR 84 H THR 84 25.269 -3.667 -13.314 679 HA THR 84 HA THR 84 23.951 -5.714 -11.514 680 HB THR 84 HB THR 84 22.847 -3.097 -12.343 681 HG1 THR 84 HG1 THR 84 24.427 -3.867 -10.189 682 1HG2 THR 84 1HG2 THR 84 21.140 -3.555 -10.712 683 2HG2 THR 84 2HG2 THR 84 22.122 -4.733 -9.826 684 3HG2 THR 84 3HG2 THR 84 21.416 -5.154 -11.396 685 H THR 85 H THR 85 22.332 -6.915 -12.220 686 HA THR 85 HA THR 85 21.118 -6.357 -14.927 687 HB THR 85 HB THR 85 21.490 -9.240 -14.073 688 HG1 THR 85 HG1 THR 85 23.568 -8.965 -13.975 689 1HG2 THR 85 1HG2 THR 85 22.019 -9.317 -16.663 690 2HG2 THR 85 2HG2 THR 85 21.446 -7.620 -16.716 691 3HG2 THR 85 3HG2 THR 85 20.358 -8.923 -16.242 692 H VAL 86 H VAL 86 19.075 -6.305 -14.782 693 HA VAL 86 HA VAL 86 17.663 -7.431 -12.379 694 HB VAL 86 HB VAL 86 17.432 -4.976 -13.602 695 1HG1 VAL 86 1HG1 VAL 86 15.252 -4.921 -14.893 696 2HG1 VAL 86 2HG1 VAL 86 15.108 -6.695 -14.651 697 3HG1 VAL 86 3HG1 VAL 86 16.415 -6.043 -15.634 698 1HG2 VAL 86 1HG2 VAL 86 15.246 -4.800 -12.258 699 2HG2 VAL 86 2HG2 VAL 86 16.416 -5.772 -11.353 700 3HG2 VAL 86 3HG2 VAL 86 15.128 -6.574 -12.212 701 H SER 87 H SER 87 15.887 -8.928 -12.838 702 HA SER 87 HA SER 87 15.268 -9.668 -15.578 703 1HB SER 87 1HB SER 87 17.633 -10.723 -14.828 704 2HB SER 87 2HB SER 87 16.587 -11.904 -14.032 705 HG SER 87 HG SER 87 15.573 -11.823 -16.314 706 H TRP 88 H TRP 88 13.805 -11.278 -15.798 707 HA TRP 88 HA TRP 88 12.083 -11.597 -13.386 708 1HB TRP 88 1HB TRP 88 10.546 -12.707 -15.398 709 2HB TRP 88 2HB TRP 88 10.488 -11.021 -14.827 710 HD1 TRP 88 HD1 TRP 88 13.111 -12.432 -17.524 711 HE1 TRP 88 HE1 TRP 88 12.797 -11.054 -19.608 712 HE3 TRP 88 HE3 TRP 88 9.107 -9.603 -16.033 713 HZ2 TRP 88 HZ2 TRP 88 11.056 -8.964 -20.586 714 HZ3 TRP 88 HZ3 TRP 88 8.170 -7.966 -17.531 715 HH2 TRP 88 HH2 TRP 88 9.131 -7.637 -19.817 716 H ASP 89 H ASP 89 12.386 -13.409 -12.240 717 HA ASP 89 HA ASP 89 12.886 -15.937 -13.824 718 1HB ASP 89 1HB ASP 89 13.740 -15.083 -10.966 719 2HB ASP 89 2HB ASP 89 14.069 -16.700 -11.702 720 H GLY 90 H GLY 90 10.711 -16.033 -14.092 721 1HA GLY 90 1HA GLY 90 8.793 -17.132 -13.544 722 2HA GLY 90 2HA GLY 90 9.235 -17.057 -11.739 723 H ASP 91 H ASP 91 7.612 -15.839 -10.865 724 HA ASP 91 HA ASP 91 6.690 -13.364 -12.274 725 1HB ASP 91 1HB ASP 91 4.840 -13.507 -10.481 726 2HB ASP 91 2HB ASP 91 4.821 -14.623 -11.899 727 H LYS 92 H LYS 92 9.228 -13.566 -11.029 728 HA LYS 92 HA LYS 92 8.909 -11.502 -8.850 729 1HB LYS 92 1HB LYS 92 10.380 -14.067 -8.863 730 2HB LYS 92 2HB LYS 92 11.397 -12.677 -8.472 731 1HG LYS 92 1HG LYS 92 10.435 -12.512 -6.338 732 2HG LYS 92 2HG LYS 92 8.805 -12.817 -7.012 733 1HD LYS 92 1HD LYS 92 9.581 -14.601 -5.443 734 2HD LYS 92 2HD LYS 92 9.193 -15.169 -7.077 735 1HE LYS 92 1HE LYS 92 11.436 -15.520 -7.694 736 2HE LYS 92 2HE LYS 92 12.089 -14.486 -6.397 737 1HZ LYS 92 1HZ LYS 92 10.882 -17.161 -6.021 738 2HZ LYS 92 2HZ LYS 92 11.256 -16.082 -4.785 739 3HZ LYS 92 3HZ LYS 92 12.468 -16.692 -5.784 740 H LEU 93 H LEU 93 11.078 -10.319 -8.590 741 HA LEU 93 HA LEU 93 12.391 -10.052 -11.207 742 1HB LEU 93 1HB LEU 93 10.453 -8.325 -10.663 743 2HB LEU 93 2HB LEU 93 11.596 -7.617 -9.542 744 HG LEU 93 HG LEU 93 13.042 -7.843 -11.983 745 1HD1 LEU 93 1HD1 LEU 93 10.629 -6.192 -12.601 746 2HD1 LEU 93 2HD1 LEU 93 10.373 -7.919 -12.656 747 3HD1 LEU 93 3HD1 LEU 93 11.611 -7.204 -13.715 748 1HD2 LEU 93 1HD2 LEU 93 13.297 -6.025 -10.175 749 2HD2 LEU 93 2HD2 LEU 93 11.662 -5.445 -10.618 750 3HD2 LEU 93 3HD2 LEU 93 13.010 -5.277 -11.739 751 H GLN 94 H GLN 94 14.100 -11.135 -10.435 752 HA GLN 94 HA GLN 94 15.410 -10.464 -7.879 753 1HB GLN 94 1HB GLN 94 15.855 -12.287 -10.201 754 2HB GLN 94 2HB GLN 94 17.296 -11.812 -9.249 755 1HG GLN 94 1HG GLN 94 16.810 -13.695 -8.181 756 2HG GLN 94 2HG GLN 94 15.907 -12.587 -7.155 757 1HE2 GLN 94 1HE2 GLN 94 15.714 -15.612 -8.282 758 2HE2 GLN 94 2HE2 GLN 94 14.013 -15.738 -8.690 759 H CYS 95 H CYS 95 17.415 -9.662 -7.608 760 HA CYS 95 HA CYS 95 18.628 -8.015 -9.766 761 1HB CYS 95 1HB CYS 95 18.323 -6.797 -7.039 762 2HB CYS 95 2HB CYS 95 18.636 -5.977 -8.565 763 HG CYS 95 HG CYS 95 16.497 -5.424 -9.203 764 H VAL 96 H VAL 96 20.764 -8.053 -9.708 765 HA VAL 96 HA VAL 96 22.157 -8.772 -7.121 766 HB VAL 96 HB VAL 96 21.998 -10.563 -9.436 767 1HG1 VAL 96 1HG1 VAL 96 24.781 -9.948 -8.299 768 2HG1 VAL 96 2HG1 VAL 96 24.228 -9.617 -9.971 769 3HG1 VAL 96 3HG1 VAL 96 24.303 -11.274 -9.415 770 1HG2 VAL 96 1HG2 VAL 96 21.389 -11.480 -7.311 771 2HG2 VAL 96 2HG2 VAL 96 22.599 -10.572 -6.430 772 3HG2 VAL 96 3HG2 VAL 96 23.109 -11.957 -7.382 773 H GLN 97 H GLN 97 23.870 -7.579 -6.727 774 HA GLN 97 HA GLN 97 24.881 -5.772 -8.855 775 1HB GLN 97 1HB GLN 97 24.475 -5.467 -5.811 776 2HB GLN 97 2HB GLN 97 25.412 -4.310 -6.760 777 1HG GLN 97 1HG GLN 97 23.418 -3.250 -6.832 778 2HG GLN 97 2HG GLN 97 23.200 -4.195 -8.294 779 1HE2 GLN 97 1HE2 GLN 97 21.867 -3.387 -5.281 780 2HE2 GLN 97 2HE2 GLN 97 20.619 -4.615 -5.214 781 H LYS 98 H LYS 98 27.069 -6.225 -9.375 782 HA LYS 98 HA LYS 98 28.594 -7.934 -7.491 783 1HB LYS 98 1HB LYS 98 29.243 -6.867 -10.227 784 2HB LYS 98 2HB LYS 98 30.274 -7.946 -9.288 785 1HG LYS 98 1HG LYS 98 29.028 -9.781 -9.700 786 2HG LYS 98 2HG LYS 98 27.480 -8.955 -9.650 787 1HD LYS 98 1HD LYS 98 27.674 -8.122 -11.899 788 2HD LYS 98 2HD LYS 98 29.382 -8.584 -12.040 789 1HE LYS 98 1HE LYS 98 27.389 -10.730 -11.370 790 2HE LYS 98 2HE LYS 98 27.382 -10.099 -13.038 791 1HZ LYS 98 1HZ LYS 98 29.877 -11.111 -11.761 792 2HZ LYS 98 2HZ LYS 98 29.622 -10.789 -13.383 793 3HZ LYS 98 3HZ LYS 98 28.805 -12.069 -12.659 794 H GLY 99 H GLY 99 28.951 -6.362 -5.780 795 1HA GLY 99 1HA GLY 99 31.014 -4.287 -6.608 796 2HA GLY 99 2HA GLY 99 29.651 -3.910 -5.500 797 H GLU 100 H GLU 100 32.488 -6.093 -5.876 798 HA GLU 100 HA GLU 100 33.676 -7.239 -4.256 799 1HB GLU 100 1HB GLU 100 35.098 -5.689 -3.028 800 2HB GLU 100 2HB GLU 100 35.036 -5.463 -4.749 801 1HG GLU 100 1HG GLU 100 34.471 -3.349 -4.576 802 2HG GLU 100 2HG GLU 100 33.018 -3.693 -3.700 803 H LYS 101 H LYS 101 30.979 -7.327 -3.191 804 HA LYS 101 HA LYS 101 31.585 -7.135 -0.274 805 1HB LYS 101 1HB LYS 101 29.075 -6.376 -1.703 806 2HB LYS 101 2HB LYS 101 29.183 -6.667 0.049 807 1HG LYS 101 1HG LYS 101 31.283 -4.811 -0.930 808 2HG LYS 101 2HG LYS 101 29.673 -4.215 -1.309 809 1HD LYS 101 1HD LYS 101 28.978 -4.436 1.017 810 2HD LYS 101 2HD LYS 101 30.464 -5.290 1.477 811 1HE LYS 101 1HE LYS 101 31.451 -2.949 0.265 812 2HE LYS 101 2HE LYS 101 30.029 -2.388 1.230 813 1HZ LYS 101 1HZ LYS 101 31.082 -3.990 2.962 814 2HZ LYS 101 2HZ LYS 101 31.734 -2.471 2.792 815 3HZ LYS 101 3HZ LYS 101 32.501 -3.788 2.031 816 H GLU 102 H GLU 102 30.393 -8.430 1.088 817 HA GLU 102 HA GLU 102 30.080 -11.211 0.295 818 1HB GLU 102 1HB GLU 102 29.613 -9.499 2.728 819 2HB GLU 102 2HB GLU 102 29.044 -11.181 2.716 820 1HG GLU 102 1HG GLU 102 31.954 -10.298 2.290 821 2HG GLU 102 2HG GLU 102 31.278 -10.750 3.844 822 H GLY 103 H GLY 103 28.039 -8.462 1.104 823 1HA GLY 103 1HA GLY 103 25.583 -9.807 0.064 824 2HA GLY 103 2HA GLY 103 25.540 -9.051 1.583 825 H ARG 104 H ARG 104 24.413 -8.592 -1.260 826 HA ARG 104 HA ARG 104 23.939 -5.810 -1.192 827 1HB ARG 104 1HB ARG 104 26.556 -6.560 -2.286 828 2HB ARG 104 2HB ARG 104 25.475 -5.782 -3.465 829 1HG ARG 104 1HG ARG 104 25.429 -4.348 -0.912 830 2HG ARG 104 2HG ARG 104 27.111 -4.609 -1.433 831 1HD ARG 104 1HD ARG 104 26.522 -2.580 -2.512 832 2HD ARG 104 2HD ARG 104 26.171 -3.828 -3.762 833 HE ARG 104 HE ARG 104 23.987 -3.108 -3.702 834 1HH1 ARG 104 1HH1 ARG 104 25.496 -2.432 -0.627 835 2HH1 ARG 104 2HH1 ARG 104 24.121 -1.652 0.084 836 1HH2 ARG 104 1HH2 ARG 104 22.229 -2.095 -2.866 837 2HH2 ARG 104 2HH2 ARG 104 22.173 -1.422 -1.236 838 H GLY 105 H GLY 105 21.943 -6.195 -1.939 839 1HA GLY 105 1HA GLY 105 21.369 -6.346 -4.648 840 2HA GLY 105 2HA GLY 105 21.353 -8.051 -4.092 841 H TRP 106 H TRP 106 19.133 -6.755 -5.111 842 HA TRP 106 HA TRP 106 17.444 -6.602 -2.670 843 1HB TRP 106 1HB TRP 106 16.510 -5.356 -5.228 844 2HB TRP 106 2HB TRP 106 15.916 -5.121 -3.634 845 HD1 TRP 106 HD1 TRP 106 19.243 -4.439 -2.562 846 HE1 TRP 106 HE1 TRP 106 19.935 -2.034 -2.950 847 HE3 TRP 106 HE3 TRP 106 15.669 -3.078 -6.067 848 HZ2 TRP 106 HZ2 TRP 106 19.142 0.226 -4.520 849 HZ3 TRP 106 HZ3 TRP 106 15.722 -0.805 -6.945 850 HH2 TRP 106 HH2 TRP 106 17.445 0.863 -6.188 851 H THR 107 H THR 107 14.995 -6.925 -3.538 852 HA THR 107 HA THR 107 14.723 -8.751 -5.750 853 HB THR 107 HB THR 107 14.942 -9.892 -2.951 854 HG1 THR 107 HG1 THR 107 15.118 -11.254 -5.429 855 1HG2 THR 107 1HG2 THR 107 13.357 -11.822 -3.758 856 2HG2 THR 107 2HG2 THR 107 12.760 -10.728 -5.002 857 3HG2 THR 107 3HG2 THR 107 12.583 -10.339 -3.255 858 H GLN 108 H GLN 108 12.486 -9.133 -6.111 859 HA GLN 108 HA GLN 108 10.621 -7.607 -4.312 860 1HB GLN 108 1HB GLN 108 11.333 -6.081 -6.084 861 2HB GLN 108 2HB GLN 108 11.112 -7.302 -7.309 862 1HG GLN 108 1HG GLN 108 9.243 -5.788 -7.524 863 2HG GLN 108 2HG GLN 108 8.650 -7.301 -6.771 864 1HE2 GLN 108 1HE2 GLN 108 9.191 -3.819 -6.431 865 2HE2 GLN 108 2HE2 GLN 108 8.594 -3.623 -4.838 866 H TRP 109 H TRP 109 8.410 -8.342 -4.520 867 HA TRP 109 HA TRP 109 7.540 -10.307 -6.430 868 1HB TRP 109 1HB TRP 109 7.592 -12.294 -5.418 869 2HB TRP 109 2HB TRP 109 9.062 -11.608 -4.720 870 HD1 TRP 109 HD1 TRP 109 5.270 -11.475 -3.643 871 HE1 TRP 109 HE1 TRP 109 5.098 -12.124 -1.141 872 HE3 TRP 109 HE3 TRP 109 10.256 -12.295 -2.792 873 HZ2 TRP 109 HZ2 TRP 109 6.905 -12.885 0.898 874 HZ3 TRP 109 HZ3 TRP 109 10.965 -12.982 -0.553 875 HH2 TRP 109 HH2 TRP 109 9.319 -13.291 1.316 876 H ILE 110 H ILE 110 5.367 -10.310 -6.451 877 HA ILE 110 HA ILE 110 4.049 -8.400 -4.650 878 HB ILE 110 HB ILE 110 3.616 -9.506 -7.364 879 1HG1 ILE 110 1HG1 ILE 110 3.339 -6.699 -6.255 880 2HG1 ILE 110 2HG1 ILE 110 4.866 -7.382 -6.814 881 1HG2 ILE 110 1HG2 ILE 110 1.430 -8.413 -5.491 882 2HG2 ILE 110 2HG2 ILE 110 1.314 -9.836 -6.585 883 3HG2 ILE 110 3HG2 ILE 110 1.307 -8.180 -7.239 884 1HD1 ILE 110 1HD1 ILE 110 2.811 -7.805 -8.841 885 2HD1 ILE 110 2HD1 ILE 110 4.291 -6.857 -8.961 886 3HD1 ILE 110 3HD1 ILE 110 2.789 -6.107 -8.381 887 H GLU 111 H GLU 111 3.055 -9.052 -2.964 888 HA GLU 111 HA GLU 111 1.665 -11.686 -2.780 889 1HB GLU 111 1HB GLU 111 3.097 -9.947 -0.949 890 2HB GLU 111 2HB GLU 111 1.413 -9.890 -0.467 891 1HG GLU 111 1HG GLU 111 2.228 -12.628 -0.939 892 2HG GLU 111 2HG GLU 111 3.435 -11.824 0.085 893 H GLY 112 H GLY 112 -0.585 -11.520 -1.870 894 1HA GLY 112 1HA GLY 112 -2.271 -9.866 -3.475 895 2HA GLY 112 2HA GLY 112 -2.718 -10.791 -1.994 896 H ASP 113 H ASP 113 -2.141 -7.775 -3.460 897 HA ASP 113 HA ASP 113 -2.519 -5.613 -2.726 898 1HB ASP 113 1HB ASP 113 -3.393 -6.756 -0.094 899 2HB ASP 113 2HB ASP 113 -3.749 -5.155 -0.745 900 H GLU 114 H GLU 114 0.114 -7.388 -1.835 901 HA GLU 114 HA GLU 114 1.208 -5.039 -0.342 902 1HB GLU 114 1HB GLU 114 1.535 -7.827 0.677 903 2HB GLU 114 2HB GLU 114 2.139 -6.316 1.361 904 1HG GLU 114 1HG GLU 114 -0.274 -5.550 1.718 905 2HG GLU 114 2HG GLU 114 -0.770 -7.180 1.211 906 H LEU 115 H LEU 115 3.042 -4.531 -1.329 907 HA LEU 115 HA LEU 115 4.525 -6.415 -2.930 908 1HB LEU 115 1HB LEU 115 4.151 -3.730 -3.038 909 2HB LEU 115 2HB LEU 115 5.573 -3.762 -2.026 910 HG LEU 115 HG LEU 115 6.982 -4.395 -3.742 911 1HD1 LEU 115 1HD1 LEU 115 4.562 -5.791 -4.997 912 2HD1 LEU 115 2HD1 LEU 115 6.126 -6.485 -4.521 913 3HD1 LEU 115 3HD1 LEU 115 5.993 -5.456 -5.942 914 1HD2 LEU 115 1HD2 LEU 115 4.815 -3.327 -5.569 915 2HD2 LEU 115 2HD2 LEU 115 6.498 -2.807 -5.501 916 3HD2 LEU 115 3HD2 LEU 115 5.392 -2.261 -4.240 917 H HIS 116 H HIS 116 6.415 -7.389 -2.375 918 HA HIS 116 HA HIS 116 7.415 -7.050 0.471 919 1HB HIS 116 1HB HIS 116 6.342 -9.299 -0.814 920 2HB HIS 116 2HB HIS 116 8.108 -9.526 -0.888 921 HD1 HIS 116 HD1 HIS 116 9.326 -10.259 1.053 922 HD2 HIS 116 HD2 HIS 116 5.478 -9.007 2.027 923 HE1 HIS 116 HE1 HIS 116 9.002 -10.882 3.527 924 HE2 HIS 116 HE2 HIS 116 6.633 -10.101 4.098 925 H LEU 117 H LEU 117 9.252 -5.874 0.296 926 HA LEU 117 HA LEU 117 11.224 -6.532 -1.887 927 1HB LEU 117 1HB LEU 117 9.849 -4.208 -1.746 928 2HB LEU 117 2HB LEU 117 10.960 -3.822 -0.525 929 HG LEU 117 HG LEU 117 12.812 -4.411 -2.341 930 1HD1 LEU 117 1HD1 LEU 117 10.782 -5.335 -3.854 931 2HD1 LEU 117 2HD1 LEU 117 12.291 -4.720 -4.501 932 3HD1 LEU 117 3HD1 LEU 117 10.875 -3.649 -4.484 933 1HD2 LEU 117 1HD2 LEU 117 12.691 -2.023 -3.129 934 2HD2 LEU 117 2HD2 LEU 117 12.090 -2.114 -1.444 935 3HD2 LEU 117 3HD2 LEU 117 10.948 -1.982 -2.782 936 H GLU 118 H GLU 118 13.147 -7.087 -1.214 937 HA GLU 118 HA GLU 118 13.966 -6.475 1.623 938 1HB GLU 118 1HB GLU 118 15.073 -8.931 1.106 939 2HB GLU 118 2HB GLU 118 13.808 -8.498 2.323 940 1HG GLU 118 1HG GLU 118 12.339 -8.966 -0.060 941 2HG GLU 118 2HG GLU 118 13.699 -10.050 -0.242 942 H MET 119 H MET 119 16.151 -6.410 1.882 943 HA MET 119 HA MET 119 17.981 -6.703 -0.436 944 1HB MET 119 1HB MET 119 18.631 -4.433 -0.638 945 2HB MET 119 2HB MET 119 16.905 -4.593 -0.910 946 1HG MET 119 1HG MET 119 16.457 -3.016 0.641 947 2HG MET 119 2HG MET 119 17.273 -3.985 1.884 948 1HE MET 119 1HE MET 119 17.970 -0.776 2.473 949 2HE MET 119 2HE MET 119 16.872 -0.944 1.099 950 3HE MET 119 3HE MET 119 18.432 -0.055 0.883 951 H ARG 120 H ARG 120 20.177 -6.318 0.143 952 HA ARG 120 HA ARG 120 20.593 -6.380 3.106 953 1HB ARG 120 1HB ARG 120 22.175 -8.182 1.262 954 2HB ARG 120 2HB ARG 120 21.993 -8.282 3.004 955 1HG ARG 120 1HG ARG 120 19.322 -8.554 1.940 956 2HG ARG 120 2HG ARG 120 20.351 -9.435 0.827 957 1HD ARG 120 1HD ARG 120 20.577 -9.739 3.879 958 2HD ARG 120 2HD ARG 120 19.442 -10.670 2.895 959 HE ARG 120 HE ARG 120 22.026 -10.932 1.755 960 1HH1 ARG 120 1HH1 ARG 120 20.150 -11.979 4.526 961 2HH1 ARG 120 2HH1 ARG 120 21.057 -13.437 4.727 962 1HH2 ARG 120 1HH2 ARG 120 23.218 -12.856 2.017 963 2HH2 ARG 120 2HH2 ARG 120 22.806 -13.980 3.296 964 H ALA 121 H ALA 121 23.176 -6.528 3.516 965 HA ALA 121 HA ALA 121 24.999 -5.398 1.618 966 1HB ALA 121 1HB ALA 121 23.615 -3.282 2.146 967 2HB ALA 121 2HB ALA 121 25.320 -3.231 2.729 968 3HB ALA 121 3HB ALA 121 23.994 -3.591 3.877 969 H GLU 122 H GLU 122 26.923 -5.959 2.300 970 HA GLU 122 HA GLU 122 28.400 -7.184 3.591 971 1HB GLU 122 1HB GLU 122 28.525 -4.681 4.023 972 2HB GLU 122 2HB GLU 122 27.988 -5.103 5.641 973 1HG GLU 122 1HG GLU 122 30.052 -7.013 4.901 974 2HG GLU 122 2HG GLU 122 30.661 -5.456 4.439 975 H GLY 123 H GLY 123 26.433 -8.853 3.961 976 1HA GLY 123 1HA GLY 123 25.643 -10.536 5.372 977 2HA GLY 123 2HA GLY 123 26.789 -9.961 6.556 978 H VAL 124 H VAL 124 24.694 -7.364 5.617 979 HA VAL 124 HA VAL 124 23.070 -7.864 8.113 980 HB VAL 124 HB VAL 124 23.346 -5.201 6.610 981 1HG1 VAL 124 1HG1 VAL 124 22.688 -4.164 8.767 982 2HG1 VAL 124 2HG1 VAL 124 22.509 -5.750 9.512 983 3HG1 VAL 124 3HG1 VAL 124 21.453 -5.294 8.178 984 1HG2 VAL 124 1HG2 VAL 124 24.904 -4.840 8.826 985 2HG2 VAL 124 2HG2 VAL 124 25.594 -5.364 7.273 986 3HG2 VAL 124 3HG2 VAL 124 25.299 -6.554 8.526 987 H THR 125 H THR 125 20.785 -7.469 8.001 988 HA THR 125 HA THR 125 19.725 -7.504 5.179 989 HB THR 125 HB THR 125 18.453 -8.894 7.505 990 HG1 THR 125 HG1 THR 125 19.969 -10.306 5.628 991 1HG2 THR 125 1HG2 THR 125 17.361 -8.404 5.020 992 2HG2 THR 125 2HG2 THR 125 17.068 -9.894 5.939 993 3HG2 THR 125 3HG2 THR 125 18.297 -9.889 4.672 994 H CYS 126 H CYS 126 18.109 -6.320 4.655 995 HA CYS 126 HA CYS 126 16.625 -4.701 6.679 996 1HB CYS 126 1HB CYS 126 16.865 -3.029 4.430 997 2HB CYS 126 2HB CYS 126 17.726 -2.867 5.989 998 HG CYS 126 HG CYS 126 19.836 -3.986 5.359 999 H LYS 127 H LYS 127 14.771 -3.618 5.301 1000 HA LYS 127 HA LYS 127 13.839 -4.733 2.846 1001 1HB LYS 127 1HB LYS 127 11.877 -6.064 4.056 1002 2HB LYS 127 2HB LYS 127 13.323 -6.829 3.457 1003 1HG LYS 127 1HG LYS 127 14.297 -7.122 5.534 1004 2HG LYS 127 2HG LYS 127 13.426 -5.824 6.320 1005 1HD LYS 127 1HD LYS 127 11.736 -7.202 6.978 1006 2HD LYS 127 2HD LYS 127 11.517 -7.754 5.300 1007 1HE LYS 127 1HE LYS 127 12.202 -9.803 6.232 1008 2HE LYS 127 2HE LYS 127 13.819 -9.083 5.969 1009 1HZ LYS 127 1HZ LYS 127 12.175 -8.766 8.414 1010 2HZ LYS 127 2HZ LYS 127 13.807 -8.389 8.270 1011 3HZ LYS 127 3HZ LYS 127 13.322 -10.006 8.222 1012 H GLN 128 H GLN 128 11.552 -4.248 2.427 1013 HA GLN 128 HA GLN 128 10.524 -2.124 4.267 1014 1HB GLN 128 1HB GLN 128 10.453 -2.126 1.206 1015 2HB GLN 128 2HB GLN 128 9.888 -0.835 2.250 1016 1HG GLN 128 1HG GLN 128 12.131 -0.147 2.730 1017 2HG GLN 128 2HG GLN 128 12.745 -1.756 2.654 1018 1HE2 GLN 128 1HE2 GLN 128 11.092 0.572 0.566 1019 2HE2 GLN 128 2HE2 GLN 128 12.150 0.391 -0.813 1020 H VAL 129 H VAL 129 8.355 -2.331 4.714 1021 HA VAL 129 HA VAL 129 6.754 -4.440 3.275 1022 HB VAL 129 HB VAL 129 6.266 -3.062 5.941 1023 1HG1 VAL 129 1HG1 VAL 129 4.454 -4.695 6.263 1024 2HG1 VAL 129 2HG1 VAL 129 4.912 -5.589 4.790 1025 3HG1 VAL 129 3HG1 VAL 129 4.236 -3.963 4.637 1026 1HG2 VAL 129 1HG2 VAL 129 8.159 -4.482 6.280 1027 2HG2 VAL 129 2HG2 VAL 129 7.557 -5.725 5.165 1028 3HG2 VAL 129 3HG2 VAL 129 6.803 -5.560 6.739 1029 H PHE 130 H PHE 130 6.156 -3.255 1.421 1030 HA PHE 130 HA PHE 130 4.882 -0.615 1.660 1031 1HB PHE 130 1HB PHE 130 5.188 -2.693 -0.514 1032 2HB PHE 130 2HB PHE 130 4.376 -1.179 -0.808 1033 HD1 PHE 130 HD1 PHE 130 6.317 -1.440 -2.620 1034 HD2 PHE 130 HD2 PHE 130 7.000 -0.449 1.528 1035 HE1 PHE 130 HE1 PHE 130 8.496 -0.457 -3.215 1036 HE2 PHE 130 HE2 PHE 130 9.180 0.534 0.894 1037 HZ PHE 130 HZ PHE 130 9.950 0.533 -1.493 1038 H LYS 131 H LYS 131 2.800 -0.258 0.736 1039 HA LYS 131 HA LYS 131 0.731 -2.433 0.909 1040 1HB LYS 131 1HB LYS 131 1.098 -0.372 2.935 1041 2HB LYS 131 2HB LYS 131 -0.263 0.064 1.946 1042 1HG LYS 131 1HG LYS 131 0.108 -2.578 3.413 1043 2HG LYS 131 2HG LYS 131 -1.093 -1.280 3.787 1044 1HD LYS 131 1HD LYS 131 -1.623 -1.768 1.144 1045 2HD LYS 131 2HD LYS 131 -1.013 -3.353 1.620 1046 1HE LYS 131 1HE LYS 131 -2.856 -2.551 3.683 1047 2HE LYS 131 2HE LYS 131 -3.605 -2.093 2.091 1048 1HZ LYS 131 1HZ LYS 131 -3.219 -4.409 1.426 1049 2HZ LYS 131 2HZ LYS 131 -4.276 -4.258 2.736 1050 3HZ LYS 131 3HZ LYS 131 -2.691 -4.756 2.997 1051 H LYS 132 H LYS 132 -0.520 -2.190 -0.898 1052 HA LYS 132 HA LYS 132 -0.106 0.109 -2.659 1053 1HB LYS 132 1HB LYS 132 -0.763 -2.432 -3.199 1054 2HB LYS 132 2HB LYS 132 -2.371 -1.863 -2.847 1055 1HG LYS 132 1HG LYS 132 -2.047 -0.025 -4.656 1056 2HG LYS 132 2HG LYS 132 -0.498 -0.834 -5.052 1057 1HD LYS 132 1HD LYS 132 -1.779 -3.005 -5.381 1058 2HD LYS 132 2HD LYS 132 -3.262 -2.087 -5.173 1059 1HE LYS 132 1HE LYS 132 -3.200 -1.623 -7.392 1060 2HE LYS 132 2HE LYS 132 -1.687 -0.696 -7.135 1061 1HZ LYS 132 1HZ LYS 132 -2.032 -3.195 -8.412 1062 2HZ LYS 132 2HZ LYS 132 -0.967 -3.340 -7.096 1063 3HZ LYS 132 3HZ LYS 132 -0.670 -2.233 -8.347 1064 H VAL 133 H VAL 133 -1.661 1.805 -2.957 1065 HA VAL 133 HA VAL 133 -3.639 2.032 -0.723 1066 HB VAL 133 HB VAL 133 -2.124 3.821 -0.966 1067 1HG1 VAL 133 1HG1 VAL 133 -3.378 4.940 -3.397 1068 2HG1 VAL 133 2HG1 VAL 133 -2.397 3.474 -3.713 1069 3HG1 VAL 133 3HG1 VAL 133 -1.639 4.845 -2.946 1070 1HG2 VAL 133 1HG2 VAL 133 -4.588 4.181 -0.224 1071 2HG2 VAL 133 2HG2 VAL 133 -4.907 4.770 -1.861 1072 3HG2 VAL 133 3HG2 VAL 133 -3.732 5.641 -0.830 1073 H HIS 134 H HIS 134 -3.414 1.277 -4.075 1074 HA HIS 134 HA HIS 134 -5.992 2.327 -4.821 1075 1HB HIS 134 1HB HIS 134 -4.150 2.015 -6.346 1076 2HB HIS 134 2HB HIS 134 -4.241 0.238 -6.136 1077 HD1 HIS 134 HD1 HIS 134 -5.074 -0.654 -8.194 1078 HD2 HIS 134 HD2 HIS 134 -7.286 2.659 -6.910 1079 HE1 HIS 134 HE1 HIS 134 -7.140 -0.439 -9.814 1080 HE2 HIS 134 HE2 HIS 134 -8.412 1.571 -8.974 Start of MODEL 8 1 1H PRO 1 1H PRO 1 3.275 -11.819 -16.449 2 2H PRO 1 2H PRO 1 4.751 -11.056 -16.466 3 HA PRO 1 HA PRO 1 4.048 -9.442 -17.956 4 1HB PRO 1 1HB PRO 1 1.650 -11.157 -18.674 5 2HB PRO 1 2HB PRO 1 2.557 -9.984 -19.658 6 1HG PRO 1 1HG PRO 1 3.089 -12.792 -19.507 7 2HG PRO 1 2HG PRO 1 4.100 -11.567 -20.199 8 1HD PRO 1 1HD PRO 1 4.796 -13.075 -17.930 9 2HD PRO 1 2HD PRO 1 5.611 -11.538 -18.353 10 H VAL 2 H VAL 2 3.753 -9.213 -15.386 11 HA VAL 2 HA VAL 2 0.939 -8.281 -14.831 12 HB VAL 2 HB VAL 2 1.247 -10.121 -13.395 13 1HG1 VAL 2 1HG1 VAL 2 4.107 -9.119 -12.886 14 2HG1 VAL 2 2HG1 VAL 2 3.626 -10.473 -13.883 15 3HG1 VAL 2 3HG1 VAL 2 3.377 -10.537 -12.105 16 1HG2 VAL 2 1HG2 VAL 2 0.894 -7.650 -12.283 17 2HG2 VAL 2 2HG2 VAL 2 2.351 -8.171 -11.406 18 3HG2 VAL 2 3HG2 VAL 2 0.867 -9.138 -11.336 19 H ASP 3 H ASP 3 1.230 -6.213 -15.436 20 HA ASP 3 HA ASP 3 3.431 -4.507 -15.104 21 1HB ASP 3 1HB ASP 3 0.556 -4.322 -15.730 22 2HB ASP 3 2HB ASP 3 1.199 -2.837 -15.028 23 H PHE 4 H PHE 4 4.383 -3.786 -13.309 24 HA PHE 4 HA PHE 4 3.005 -3.768 -10.688 25 1HB PHE 4 1HB PHE 4 5.768 -2.769 -11.316 26 2HB PHE 4 2HB PHE 4 5.039 -3.165 -9.757 27 HD1 PHE 4 HD1 PHE 4 7.444 -4.231 -11.704 28 HD2 PHE 4 HD2 PHE 4 3.704 -5.687 -10.304 29 HE1 PHE 4 HE1 PHE 4 8.290 -6.538 -12.013 30 HE2 PHE 4 HE2 PHE 4 4.501 -8.049 -10.613 31 HZ PHE 4 HZ PHE 4 6.779 -8.430 -11.456 32 H ASN 5 H ASN 5 2.273 -1.748 -12.974 33 HA ASN 5 HA ASN 5 3.171 0.871 -12.396 34 1HB ASN 5 1HB ASN 5 0.803 -0.306 -13.661 35 2HB ASN 5 2HB ASN 5 0.760 1.438 -13.204 36 1HD2 ASN 5 1HD2 ASN 5 2.394 -1.078 -15.208 37 2HD2 ASN 5 2HD2 ASN 5 3.234 0.077 -16.246 38 H GLY 6 H GLY 6 2.912 2.226 -10.630 39 1HA GLY 6 1HA GLY 6 0.501 2.716 -9.288 40 2HA GLY 6 2HA GLY 6 1.051 1.263 -8.586 41 H TYR 7 H TYR 7 0.923 2.593 -6.688 42 HA TYR 7 HA TYR 7 3.415 4.218 -6.083 43 1HB TYR 7 1HB TYR 7 0.742 4.408 -4.664 44 2HB TYR 7 2HB TYR 7 2.089 5.540 -4.541 45 HD1 TYR 7 HD1 TYR 7 -0.419 4.253 -7.076 46 HD2 TYR 7 HD2 TYR 7 2.112 7.514 -5.951 47 HE1 TYR 7 HE1 TYR 7 -1.405 5.643 -8.886 48 HE2 TYR 7 HE2 TYR 7 1.107 8.899 -7.765 49 HH TYR 7 HH TYR 7 -1.688 8.123 -9.268 50 H TRP 8 H TRP 8 3.693 4.181 -3.656 51 HA TRP 8 HA TRP 8 2.750 1.885 -2.186 52 1HB TRP 8 1HB TRP 8 5.335 1.620 -3.638 53 2HB TRP 8 2HB TRP 8 5.286 1.014 -2.014 54 HD1 TRP 8 HD1 TRP 8 2.525 -0.164 -1.595 55 HE1 TRP 8 HE1 TRP 8 1.612 -2.227 -2.827 56 HE3 TRP 8 HE3 TRP 8 5.581 -0.010 -5.700 57 HZ2 TRP 8 HZ2 TRP 8 2.131 -3.634 -5.278 58 HZ3 TRP 8 HZ3 TRP 8 5.279 -1.763 -7.422 59 HH2 TRP 8 HH2 TRP 8 3.575 -3.518 -7.190 60 H LYS 9 H LYS 9 2.422 3.163 -0.492 61 HA LYS 9 HA LYS 9 4.587 4.840 0.538 62 1HB LYS 9 1HB LYS 9 3.124 5.820 1.938 63 2HB LYS 9 2HB LYS 9 1.958 5.306 0.729 64 1HG LYS 9 1HG LYS 9 1.332 3.353 2.007 65 2HG LYS 9 2HG LYS 9 2.537 3.738 3.258 66 1HD LYS 9 1HD LYS 9 -0.194 4.664 3.099 67 2HD LYS 9 2HD LYS 9 1.056 4.999 4.336 68 1HE LYS 9 1HE LYS 9 1.657 7.099 3.380 69 2HE LYS 9 2HE LYS 9 0.969 6.642 1.769 70 1HZ LYS 9 1HZ LYS 9 -1.086 7.089 2.403 71 2HZ LYS 9 2HZ LYS 9 -0.283 8.170 3.443 72 3HZ LYS 9 3HZ LYS 9 -0.829 6.682 4.014 73 H MET 10 H MET 10 5.765 4.224 2.624 74 HA MET 10 HA MET 10 5.608 1.258 2.898 75 1HB MET 10 1HB MET 10 7.619 2.095 4.541 76 2HB MET 10 2HB MET 10 7.652 1.230 3.023 77 1HG MET 10 1HG MET 10 7.519 3.543 1.841 78 2HG MET 10 2HG MET 10 7.843 4.276 3.392 79 1HE MET 10 1HE MET 10 10.499 4.034 4.563 80 2HE MET 10 2HE MET 10 11.114 2.335 4.415 81 3HE MET 10 3HE MET 10 9.402 2.689 4.858 82 H LEU 11 H LEU 11 4.869 0.206 4.485 83 HA LEU 11 HA LEU 11 3.354 1.455 6.674 84 1HB LEU 11 1HB LEU 11 3.280 -0.900 5.252 85 2HB LEU 11 2HB LEU 11 4.089 -1.472 6.617 86 HG LEU 11 HG LEU 11 1.498 -1.607 6.328 87 1HD1 LEU 11 1HD1 LEU 11 2.616 -1.063 9.138 88 2HD1 LEU 11 2HD1 LEU 11 3.098 -2.476 8.188 89 3HD1 LEU 11 3HD1 LEU 11 1.394 -2.231 8.663 90 1HD2 LEU 11 1HD2 LEU 11 1.693 0.848 8.240 91 2HD2 LEU 11 2HD2 LEU 11 0.247 0.163 7.547 92 3HD2 LEU 11 3HD2 LEU 11 1.379 1.033 6.490 93 H SER 12 H SER 12 6.029 -0.931 6.417 94 HA SER 12 HA SER 12 7.336 0.273 8.765 95 1HB SER 12 1HB SER 12 6.000 -2.446 8.935 96 2HB SER 12 2HB SER 12 7.362 -1.913 9.993 97 HG SER 12 HG SER 12 4.973 -1.412 10.518 98 H ASN 13 H ASN 13 9.365 0.151 8.740 99 HA ASN 13 HA ASN 13 10.799 -1.849 7.011 100 1HB ASN 13 1HB ASN 13 12.610 -0.069 6.993 101 2HB ASN 13 2HB ASN 13 11.117 0.503 6.242 102 1HD2 ASN 13 1HD2 ASN 13 9.764 1.960 7.522 103 2HD2 ASN 13 2HD2 ASN 13 10.444 2.935 8.762 104 H GLU 14 H GLU 14 13.130 -2.121 7.947 105 HA GLU 14 HA GLU 14 12.916 -1.975 10.941 106 1HB GLU 14 1HB GLU 14 13.926 -4.365 9.450 107 2HB GLU 14 2HB GLU 14 13.687 -4.228 11.184 108 1HG GLU 14 1HG GLU 14 11.169 -3.524 10.388 109 2HG GLU 14 2HG GLU 14 11.581 -4.466 8.992 110 H ASN 15 H ASN 15 15.281 -3.060 8.415 111 HA ASN 15 HA ASN 15 17.572 -2.266 10.086 112 1HB ASN 15 1HB ASN 15 16.983 -4.345 8.527 113 2HB ASN 15 2HB ASN 15 18.167 -3.460 7.558 114 1HD2 ASN 15 1HD2 ASN 15 17.540 -4.553 10.958 115 2HD2 ASN 15 2HD2 ASN 15 19.209 -4.919 11.328 116 H PHE 16 H PHE 16 16.260 -0.009 9.360 117 HA PHE 16 HA PHE 16 17.136 1.129 6.821 118 1HB PHE 16 1HB PHE 16 15.107 1.758 8.139 119 2HB PHE 16 2HB PHE 16 16.151 2.688 9.201 120 HD1 PHE 16 HD1 PHE 16 14.944 2.427 5.636 121 HD2 PHE 16 HD2 PHE 16 17.194 4.699 8.503 122 HE1 PHE 16 HE1 PHE 16 15.001 4.324 4.061 123 HE2 PHE 16 HE2 PHE 16 17.244 6.576 6.955 124 HZ PHE 16 HZ PHE 16 16.162 6.421 4.705 125 H GLU 17 H GLU 17 18.309 1.674 10.245 126 HA GLU 17 HA GLU 17 20.402 3.468 9.304 127 1HB GLU 17 1HB GLU 17 20.110 2.089 11.915 128 2HB GLU 17 2HB GLU 17 21.396 3.259 11.477 129 1HG GLU 17 1HG GLU 17 20.106 4.962 12.073 130 2HG GLU 17 2HG GLU 17 18.987 4.590 10.787 131 H GLU 18 H GLU 18 20.377 0.006 10.143 132 HA GLU 18 HA GLU 18 23.256 -0.238 9.953 133 1HB GLU 18 1HB GLU 18 21.041 -2.147 10.351 134 2HB GLU 18 2HB GLU 18 22.481 -2.766 9.501 135 1HG GLU 18 1HG GLU 18 23.373 -3.073 11.644 136 2HG GLU 18 2HG GLU 18 23.735 -1.381 11.491 137 H TYR 19 H TYR 19 20.674 -0.226 7.617 138 HA TYR 19 HA TYR 19 22.108 -1.640 5.506 139 1HB TYR 19 1HB TYR 19 19.846 -1.674 5.157 140 2HB TYR 19 2HB TYR 19 19.560 -0.052 5.771 141 HD1 TYR 19 HD1 TYR 19 21.965 -1.147 3.050 142 HD2 TYR 19 HD2 TYR 19 18.250 0.919 4.000 143 HE1 TYR 19 HE1 TYR 19 21.759 -0.359 0.689 144 HE2 TYR 19 HE2 TYR 19 18.084 1.652 1.627 145 HH TYR 19 HH TYR 19 19.486 0.356 -0.760 146 H LEU 20 H LEU 20 21.571 1.889 6.448 147 HA LEU 20 HA LEU 20 23.148 2.798 4.184 148 1HB LEU 20 1HB LEU 20 22.566 4.523 6.588 149 2HB LEU 20 2HB LEU 20 23.056 4.982 5.047 150 HG LEU 20 HG LEU 20 20.347 3.703 5.607 151 1HD1 LEU 20 1HD1 LEU 20 21.349 6.541 5.433 152 2HD1 LEU 20 2HD1 LEU 20 20.221 5.776 6.600 153 3HD1 LEU 20 3HD1 LEU 20 19.676 6.219 4.989 154 1HD2 LEU 20 1HD2 LEU 20 20.721 3.242 3.221 155 2HD2 LEU 20 2HD2 LEU 20 21.847 4.568 3.121 156 3HD2 LEU 20 3HD2 LEU 20 20.107 4.912 3.094 157 H ARG 21 H ARG 21 23.732 1.619 7.318 158 HA ARG 21 HA ARG 21 26.351 2.885 7.675 159 1HB ARG 21 1HB ARG 21 24.692 1.891 9.547 160 2HB ARG 21 2HB ARG 21 25.529 0.400 9.192 161 1HG ARG 21 1HG ARG 21 26.952 3.045 9.809 162 2HG ARG 21 2HG ARG 21 26.536 1.918 11.104 163 1HD ARG 21 1HD ARG 21 28.644 1.625 8.966 164 2HD ARG 21 2HD ARG 21 28.735 1.456 10.676 165 HE ARG 21 HE ARG 21 27.602 -0.624 8.849 166 1HH1 ARG 21 1HH1 ARG 21 28.866 0.199 12.107 167 2HH1 ARG 21 2HH1 ARG 21 28.940 -1.510 12.501 168 1HH2 ARG 21 1HH2 ARG 21 27.748 -2.813 9.549 169 2HH2 ARG 21 2HH2 ARG 21 28.313 -3.104 11.141 170 H ALA 22 H ALA 22 24.988 -0.042 6.286 171 HA ALA 22 HA ALA 22 27.362 -1.711 6.109 172 1HB ALA 22 1HB ALA 22 25.189 -2.706 5.931 173 2HB ALA 22 2HB ALA 22 25.997 -2.865 4.351 174 3HB ALA 22 3HB ALA 22 24.761 -1.605 4.550 175 H LEU 23 H LEU 23 26.130 0.962 4.292 176 HA LEU 23 HA LEU 23 28.032 0.422 2.038 177 1HB LEU 23 1HB LEU 23 25.833 2.459 2.187 178 2HB LEU 23 2HB LEU 23 26.829 2.251 0.838 179 HG LEU 23 HG LEU 23 24.947 0.136 1.998 180 1HD1 LEU 23 1HD1 LEU 23 23.519 0.528 0.078 181 2HD1 LEU 23 2HD1 LEU 23 24.626 1.741 -0.585 182 3HD1 LEU 23 3HD1 LEU 23 23.828 2.002 0.983 183 1HD2 LEU 23 1HD2 LEU 23 25.499 -0.997 -0.410 184 2HD2 LEU 23 2HD2 LEU 23 26.777 -1.114 0.845 185 3HD2 LEU 23 3HD2 LEU 23 26.879 0.101 -0.424 186 H ASP 24 H ASP 24 27.443 2.424 4.745 187 HA ASP 24 HA ASP 24 28.622 4.004 5.885 188 1HB ASP 24 1HB ASP 24 30.703 3.157 3.917 189 2HB ASP 24 2HB ASP 24 30.986 4.550 5.022 190 H VAL 25 H VAL 25 26.728 5.234 4.775 191 HA VAL 25 HA VAL 25 27.711 7.386 2.990 192 HB VAL 25 HB VAL 25 25.330 5.948 3.059 193 1HG1 VAL 25 1HG1 VAL 25 24.680 8.567 4.478 194 2HG1 VAL 25 2HG1 VAL 25 24.756 6.956 5.277 195 3HG1 VAL 25 3HG1 VAL 25 23.560 7.278 4.052 196 1HG2 VAL 25 1HG2 VAL 25 24.603 7.538 1.365 197 2HG2 VAL 25 2HG2 VAL 25 26.328 8.006 1.476 198 3HG2 VAL 25 3HG2 VAL 25 25.108 8.939 2.300 199 H ASN 26 H ASN 26 26.971 9.705 3.699 200 HA ASN 26 HA ASN 26 28.321 10.479 5.928 201 1HB ASN 26 1HB ASN 26 27.325 11.856 4.174 202 2HB ASN 26 2HB ASN 26 25.839 11.921 5.186 203 1HD2 ASN 26 1HD2 ASN 26 25.989 14.068 5.839 204 2HD2 ASN 26 2HD2 ASN 26 27.247 14.775 6.768 205 H VAL 27 H VAL 27 27.810 11.379 7.895 206 HA VAL 27 HA VAL 27 26.292 9.635 9.643 207 HB VAL 27 HB VAL 27 27.473 12.293 10.355 208 1HG1 VAL 27 1HG1 VAL 27 27.487 11.189 12.653 209 2HG1 VAL 27 2HG1 VAL 27 26.627 9.793 11.996 210 3HG1 VAL 27 3HG1 VAL 27 25.818 11.336 11.995 211 1HG2 VAL 27 1HG2 VAL 27 29.061 10.403 9.298 212 2HG2 VAL 27 2HG2 VAL 27 28.799 9.606 10.863 213 3HG2 VAL 27 3HG2 VAL 27 29.581 11.221 10.759 214 H ALA 28 H ALA 28 25.985 12.991 8.470 215 HA ALA 28 HA ALA 28 23.753 13.694 10.102 216 1HB ALA 28 1HB ALA 28 24.467 15.072 7.522 217 2HB ALA 28 2HB ALA 28 25.407 15.219 9.050 218 3HB ALA 28 3HB ALA 28 23.710 15.722 9.027 219 H LEU 29 H LEU 29 24.150 12.328 6.858 220 HA LEU 29 HA LEU 29 21.403 12.630 5.912 221 1HB LEU 29 1HB LEU 29 23.417 12.423 4.462 222 2HB LEU 29 2HB LEU 29 23.621 10.810 5.008 223 HG LEU 29 HG LEU 29 20.950 11.661 3.901 224 1HD1 LEU 29 1HD1 LEU 29 21.608 11.405 1.603 225 2HD1 LEU 29 2HD1 LEU 29 23.201 10.711 2.041 226 3HD1 LEU 29 3HD1 LEU 29 22.841 12.415 2.348 227 1HD2 LEU 29 1HD2 LEU 29 20.510 9.452 4.153 228 2HD2 LEU 29 2HD2 LEU 29 22.208 9.082 4.607 229 3HD2 LEU 29 3HD2 LEU 29 21.728 9.104 2.920 230 H ARG 30 H ARG 30 23.085 10.233 7.865 231 HA ARG 30 HA ARG 30 21.137 8.131 7.471 232 1HB ARG 30 1HB ARG 30 22.812 6.919 8.412 233 2HB ARG 30 2HB ARG 30 23.722 8.392 8.595 234 1HG ARG 30 1HG ARG 30 23.763 7.640 10.716 235 2HG ARG 30 2HG ARG 30 22.377 8.686 10.862 236 1HD ARG 30 1HD ARG 30 20.852 6.887 10.867 237 2HD ARG 30 2HD ARG 30 21.931 5.779 10.048 238 HE ARG 30 HE ARG 30 21.850 6.447 12.948 239 1HH1 ARG 30 1HH1 ARG 30 23.502 4.720 10.286 240 2HH1 ARG 30 2HH1 ARG 30 24.313 3.635 11.332 241 1HH2 ARG 30 1HH2 ARG 30 22.923 5.050 14.265 242 2HH2 ARG 30 2HH2 ARG 30 24.016 3.808 13.654 243 H LYS 31 H LYS 31 21.563 10.840 9.688 244 HA LYS 31 HA LYS 31 19.594 9.978 11.664 245 1HB LYS 31 1HB LYS 31 21.399 11.375 12.294 246 2HB LYS 31 2HB LYS 31 20.902 12.636 11.141 247 1HG LYS 31 1HG LYS 31 18.863 13.072 12.346 248 2HG LYS 31 2HG LYS 31 19.085 11.623 13.377 249 1HD LYS 31 1HD LYS 31 20.890 12.583 14.585 250 2HD LYS 31 2HD LYS 31 21.166 13.809 13.310 251 1HE LYS 31 1HE LYS 31 20.070 15.120 14.976 252 2HE LYS 31 2HE LYS 31 18.700 14.583 13.949 253 1HZ LYS 31 1HZ LYS 31 18.081 14.228 16.158 254 2HZ LYS 31 2HZ LYS 31 19.569 13.526 16.579 255 3HZ LYS 31 3HZ LYS 31 18.505 12.700 15.577 256 H ILE 32 H ILE 32 19.675 12.223 8.943 257 HA ILE 32 HA ILE 32 16.971 13.228 9.407 258 HB ILE 32 HB ILE 32 18.846 13.374 6.953 259 1HG1 ILE 32 1HG1 ILE 32 18.136 15.302 9.215 260 2HG1 ILE 32 2HG1 ILE 32 19.671 14.480 9.010 261 1HG2 ILE 32 1HG2 ILE 32 16.053 14.584 7.471 262 2HG2 ILE 32 2HG2 ILE 32 16.598 13.608 6.116 263 3HG2 ILE 32 3HG2 ILE 32 17.171 15.277 6.289 264 1HD1 ILE 32 1HD1 ILE 32 20.397 16.082 7.462 265 2HD1 ILE 32 2HD1 ILE 32 19.098 17.087 8.128 266 3HD1 ILE 32 3HD1 ILE 32 18.810 16.150 6.672 267 H ALA 33 H ALA 33 18.504 10.924 7.076 268 HA ALA 33 HA ALA 33 16.162 10.324 5.522 269 1HB ALA 33 1HB ALA 33 18.703 8.724 5.973 270 2HB ALA 33 2HB ALA 33 18.247 9.792 4.621 271 3HB ALA 33 3HB ALA 33 17.310 8.297 4.889 272 H ASN 34 H ASN 34 17.163 9.300 8.711 273 HA ASN 34 HA ASN 34 15.488 6.864 8.715 274 1HB ASN 34 1HB ASN 34 17.557 7.041 10.045 275 2HB ASN 34 2HB ASN 34 16.677 8.169 11.105 276 1HD2 ASN 34 1HD2 ASN 34 15.913 6.941 12.921 277 2HD2 ASN 34 2HD2 ASN 34 15.230 5.320 12.805 278 H LEU 35 H LEU 35 14.695 10.178 8.964 279 HA LEU 35 HA LEU 35 12.471 9.616 10.860 280 1HB LEU 35 1HB LEU 35 13.858 12.057 9.895 281 2HB LEU 35 2HB LEU 35 12.228 12.185 10.559 282 HG LEU 35 HG LEU 35 14.283 12.519 12.126 283 1HD1 LEU 35 1HD1 LEU 35 12.050 12.639 13.041 284 2HD1 LEU 35 2HD1 LEU 35 12.926 11.466 14.062 285 3HD1 LEU 35 3HD1 LEU 35 11.842 10.888 12.819 286 1HD2 LEU 35 1HD2 LEU 35 14.953 10.366 13.305 287 2HD2 LEU 35 2HD2 LEU 35 15.343 10.190 11.592 288 3HD2 LEU 35 3HD2 LEU 35 13.875 9.428 12.213 289 H LEU 36 H LEU 36 12.731 9.063 7.651 290 HA LEU 36 HA LEU 36 9.928 9.977 7.158 291 1HB LEU 36 1HB LEU 36 10.453 10.451 4.794 292 2HB LEU 36 2HB LEU 36 10.895 11.602 5.950 293 HG LEU 36 HG LEU 36 12.389 11.269 3.985 294 1HD1 LEU 36 1HD1 LEU 36 14.092 12.146 5.238 295 2HD1 LEU 36 2HD1 LEU 36 14.294 10.639 6.198 296 3HD1 LEU 36 3HD1 LEU 36 13.049 11.842 6.636 297 1HD2 LEU 36 1HD2 LEU 36 13.053 8.640 5.427 298 2HD2 LEU 36 2HD2 LEU 36 13.881 9.230 3.949 299 3HD2 LEU 36 3HD2 LEU 36 12.157 8.785 3.892 300 H LYS 37 H LYS 37 9.147 8.773 4.973 301 HA LYS 37 HA LYS 37 10.318 5.986 4.963 302 1HB LYS 37 1HB LYS 37 7.387 6.237 4.429 303 2HB LYS 37 2HB LYS 37 8.290 5.003 5.282 304 1HG LYS 37 1HG LYS 37 8.544 7.197 7.080 305 2HG LYS 37 2HG LYS 37 6.928 7.426 6.381 306 1HD LYS 37 1HD LYS 37 7.014 4.648 6.980 307 2HD LYS 37 2HD LYS 37 7.951 5.373 8.273 308 1HE LYS 37 1HE LYS 37 5.813 5.393 9.121 309 2HE LYS 37 2HE LYS 37 5.907 7.057 8.416 310 1HZ LYS 37 1HZ LYS 37 4.427 6.574 6.809 311 2HZ LYS 37 2HZ LYS 37 3.871 5.482 7.984 312 3HZ LYS 37 3HZ LYS 37 4.837 4.947 6.720 313 HA PRO 38 HA PRO 38 10.655 7.747 0.803 314 1HB PRO 38 1HB PRO 38 12.058 5.134 0.358 315 2HB PRO 38 2HB PRO 38 12.527 6.796 -0.044 316 1HG PRO 38 1HG PRO 38 13.629 5.396 2.015 317 2HG PRO 38 2HG PRO 38 13.312 7.173 2.180 318 1HD PRO 38 1HD PRO 38 11.724 4.860 3.237 319 2HD PRO 38 2HD PRO 38 12.081 6.434 4.038 320 H ASP 39 H ASP 39 8.315 7.522 0.314 321 HA ASP 39 HA ASP 39 7.217 4.996 -0.320 322 1HB ASP 39 1HB ASP 39 5.324 6.123 -1.231 323 2HB ASP 39 2HB ASP 39 5.891 7.175 0.047 324 H LYS 40 H LYS 40 6.721 4.097 -2.364 325 HA LYS 40 HA LYS 40 8.743 4.707 -4.429 326 1HB LYS 40 1HB LYS 40 8.137 2.364 -3.056 327 2HB LYS 40 2HB LYS 40 7.225 2.185 -4.570 328 1HG LYS 40 1HG LYS 40 9.094 1.838 -5.868 329 2HG LYS 40 2HG LYS 40 9.949 3.166 -5.130 330 1HD LYS 40 1HD LYS 40 9.518 0.526 -3.646 331 2HD LYS 40 2HD LYS 40 10.913 0.781 -4.676 332 1HE LYS 40 1HE LYS 40 10.760 3.098 -2.906 333 2HE LYS 40 2HE LYS 40 10.531 1.661 -1.913 334 1HZ LYS 40 1HZ LYS 40 12.540 0.765 -2.862 335 2HZ LYS 40 2HZ LYS 40 12.763 2.225 -2.038 336 3HZ LYS 40 3HZ LYS 40 12.811 2.153 -3.749 337 H GLU 41 H GLU 41 8.083 4.459 -6.646 338 HA GLU 41 HA GLU 41 5.176 4.446 -7.288 339 1HB GLU 41 1HB GLU 41 6.174 6.897 -6.749 340 2HB GLU 41 2HB GLU 41 6.853 6.748 -8.362 341 1HG GLU 41 1HG GLU 41 3.890 6.202 -7.745 342 2HG GLU 41 2HG GLU 41 4.419 7.843 -7.928 343 H ILE 42 H ILE 42 5.402 2.699 -8.512 344 HA ILE 42 HA ILE 42 7.684 2.566 -10.434 345 HB ILE 42 HB ILE 42 5.702 0.461 -9.616 346 1HG1 ILE 42 1HG1 ILE 42 8.342 1.341 -8.450 347 2HG1 ILE 42 2HG1 ILE 42 6.836 1.026 -7.655 348 1HG2 ILE 42 1HG2 ILE 42 6.714 -0.632 -11.461 349 2HG2 ILE 42 2HG2 ILE 42 8.217 -0.692 -10.535 350 3HG2 ILE 42 3HG2 ILE 42 7.940 0.648 -11.635 351 1HD1 ILE 42 1HD1 ILE 42 7.197 -1.484 -8.238 352 2HD1 ILE 42 2HD1 ILE 42 8.342 -0.755 -7.073 353 3HD1 ILE 42 3HD1 ILE 42 8.839 -1.059 -8.727 354 H VAL 43 H VAL 43 7.452 2.735 -12.561 355 HA VAL 43 HA VAL 43 4.706 2.551 -13.686 356 HB VAL 43 HB VAL 43 6.826 4.668 -14.451 357 1HG1 VAL 43 1HG1 VAL 43 4.626 5.610 -15.611 358 2HG1 VAL 43 2HG1 VAL 43 4.038 3.950 -15.434 359 3HG1 VAL 43 3HG1 VAL 43 5.522 4.254 -16.372 360 1HG2 VAL 43 1HG2 VAL 43 6.059 5.768 -12.517 361 2HG2 VAL 43 2HG2 VAL 43 4.528 4.838 -12.451 362 3HG2 VAL 43 3HG2 VAL 43 4.730 6.196 -13.560 363 H GLN 44 H GLN 44 5.300 0.549 -14.392 364 HA GLN 44 HA GLN 44 7.748 0.193 -16.083 365 1HB GLN 44 1HB GLN 44 7.013 -1.606 -14.411 366 2HB GLN 44 2HB GLN 44 5.539 -1.794 -15.378 367 1HG GLN 44 1HG GLN 44 6.937 -2.496 -17.334 368 2HG GLN 44 2HG GLN 44 8.396 -2.268 -16.416 369 1HE2 GLN 44 1HE2 GLN 44 5.173 -3.905 -16.164 370 2HE2 GLN 44 2HE2 GLN 44 5.754 -5.306 -15.370 371 H ASP 45 H ASP 45 7.734 0.346 -18.207 372 HA ASP 45 HA ASP 45 5.163 0.734 -19.581 373 1HB ASP 45 1HB ASP 45 8.078 1.318 -20.158 374 2HB ASP 45 2HB ASP 45 6.977 1.120 -21.539 375 H GLY 46 H GLY 46 7.784 -1.478 -19.047 376 1HA GLY 46 1HA GLY 46 6.918 -3.851 -19.776 377 2HA GLY 46 2HA GLY 46 7.105 -3.157 -21.432 378 H ASP 47 H ASP 47 9.041 -3.787 -22.310 379 HA ASP 47 HA ASP 47 11.217 -4.867 -21.054 380 1HB ASP 47 1HB ASP 47 10.784 -3.684 -23.696 381 2HB ASP 47 2HB ASP 47 12.454 -3.618 -23.119 382 H HIS 48 H HIS 48 10.375 -1.408 -21.343 383 HA HIS 48 HA HIS 48 12.992 -0.586 -20.115 384 1HB HIS 48 1HB HIS 48 10.623 1.027 -21.250 385 2HB HIS 48 2HB HIS 48 12.133 1.659 -20.606 386 HD1 HIS 48 HD1 HIS 48 10.973 2.002 -23.563 387 HD2 HIS 48 HD2 HIS 48 14.093 -0.533 -22.330 388 HE1 HIS 48 HE1 HIS 48 12.372 1.577 -25.664 389 HE2 HIS 48 HE2 HIS 48 14.276 0.038 -24.867 390 H MET 49 H MET 49 12.943 -0.149 -18.002 391 HA MET 49 HA MET 49 10.292 0.210 -16.580 392 1HB MET 49 1HB MET 49 11.029 -1.855 -16.040 393 2HB MET 49 2HB MET 49 12.737 -1.394 -15.954 394 1HG MET 49 1HG MET 49 12.332 -0.146 -13.893 395 2HG MET 49 2HG MET 49 10.584 -0.446 -14.035 396 1HE MET 49 1HE MET 49 10.230 -3.918 -14.438 397 2HE MET 49 2HE MET 49 9.435 -2.352 -14.050 398 3HE MET 49 3HE MET 49 9.723 -3.569 -12.748 399 H ILE 50 H ILE 50 10.126 1.825 -15.175 400 HA ILE 50 HA ILE 50 12.564 3.410 -14.550 401 HB ILE 50 HB ILE 50 9.787 4.651 -14.887 402 1HG1 ILE 50 1HG1 ILE 50 11.986 4.360 -17.000 403 2HG1 ILE 50 2HG1 ILE 50 10.460 3.491 -17.042 404 1HG2 ILE 50 1HG2 ILE 50 11.147 6.351 -13.943 405 2HG2 ILE 50 2HG2 ILE 50 11.753 6.588 -15.586 406 3HG2 ILE 50 3HG2 ILE 50 12.629 5.538 -14.478 407 1HD1 ILE 50 1HD1 ILE 50 9.155 5.393 -17.593 408 2HD1 ILE 50 2HD1 ILE 50 10.595 5.485 -18.596 409 3HD1 ILE 50 3HD1 ILE 50 10.459 6.549 -17.169 410 H ILE 51 H ILE 51 12.811 3.545 -12.445 411 HA ILE 51 HA ILE 51 10.371 3.204 -10.654 412 HB ILE 51 HB ILE 51 13.217 2.138 -10.452 413 1HG1 ILE 51 1HG1 ILE 51 12.059 0.266 -9.276 414 2HG1 ILE 51 2HG1 ILE 51 10.546 1.049 -9.346 415 1HG2 ILE 51 1HG2 ILE 51 13.161 3.644 -8.521 416 2HG2 ILE 51 2HG2 ILE 51 13.096 1.994 -7.944 417 3HG2 ILE 51 3HG2 ILE 51 11.601 2.971 -7.988 418 1HD1 ILE 51 1HD1 ILE 51 10.211 0.385 -11.627 419 2HD1 ILE 51 2HD1 ILE 51 11.465 -0.768 -11.183 420 3HD1 ILE 51 3HD1 ILE 51 11.876 0.760 -12.044 421 H ARG 52 H ARG 52 9.907 4.922 -9.513 422 HA ARG 52 HA ARG 52 12.099 6.985 -9.123 423 1HB ARG 52 1HB ARG 52 9.315 8.004 -9.030 424 2HB ARG 52 2HB ARG 52 10.799 8.638 -9.767 425 1HG ARG 52 1HG ARG 52 10.429 6.725 -11.591 426 2HG ARG 52 2HG ARG 52 8.752 6.835 -11.053 427 1HD ARG 52 1HD ARG 52 8.809 9.277 -11.412 428 2HD ARG 52 2HD ARG 52 10.492 9.180 -11.933 429 HE ARG 52 HE ARG 52 9.863 8.261 -13.978 430 1HH1 ARG 52 1HH1 ARG 52 7.002 8.555 -11.938 431 2HH1 ARG 52 2HH1 ARG 52 5.861 8.288 -13.186 432 1HH2 ARG 52 1HH2 ARG 52 8.484 7.898 -15.670 433 2HH2 ARG 52 2HH2 ARG 52 6.757 7.911 -15.387 434 H THR 53 H THR 53 12.724 6.317 -6.986 435 HA THR 53 HA THR 53 10.540 5.879 -5.019 436 HB THR 53 HB THR 53 13.563 5.856 -4.941 437 HG1 THR 53 HG1 THR 53 12.099 4.016 -5.400 438 1HG2 THR 53 1HG2 THR 53 13.439 6.731 -2.795 439 2HG2 THR 53 2HG2 THR 53 12.842 5.141 -2.311 440 3HG2 THR 53 3HG2 THR 53 11.670 6.445 -2.676 441 H LEU 54 H LEU 54 9.504 7.847 -4.379 442 HA LEU 54 HA LEU 54 11.075 10.354 -4.571 443 1HB LEU 54 1HB LEU 54 8.374 9.615 -5.010 444 2HB LEU 54 2HB LEU 54 8.543 11.116 -4.104 445 HG LEU 54 HG LEU 54 10.263 11.884 -5.845 446 1HD1 LEU 54 1HD1 LEU 54 9.159 9.562 -7.466 447 2HD1 LEU 54 2HD1 LEU 54 10.784 9.560 -6.743 448 3HD1 LEU 54 3HD1 LEU 54 10.334 10.760 -7.985 449 1HD2 LEU 54 1HD2 LEU 54 7.457 12.087 -5.831 450 2HD2 LEU 54 2HD2 LEU 54 7.785 11.425 -7.419 451 3HD2 LEU 54 3HD2 LEU 54 8.514 12.961 -6.969 452 H SER 55 H SER 55 12.210 10.430 -2.620 453 HA SER 55 HA SER 55 10.566 10.517 -0.105 454 1HB SER 55 1HB SER 55 13.183 9.464 -0.765 455 2HB SER 55 2HB SER 55 13.507 11.008 0.097 456 HG SER 55 HG SER 55 11.560 9.643 1.322 457 H THR 56 H THR 56 10.182 12.491 0.798 458 HA THR 56 HA THR 56 10.318 14.942 -0.563 459 HB THR 56 HB THR 56 10.301 16.050 1.678 460 HG1 THR 56 HG1 THR 56 11.227 14.412 2.905 461 1HG2 THR 56 1HG2 THR 56 7.857 15.275 2.032 462 2HG2 THR 56 2HG2 THR 56 8.210 13.811 1.119 463 3HG2 THR 56 3HG2 THR 56 8.229 15.417 0.336 464 H PHE 57 H PHE 57 12.789 13.248 1.252 465 HA PHE 57 HA PHE 57 14.719 15.491 0.924 466 1HB PHE 57 1HB PHE 57 14.060 14.091 3.203 467 2HB PHE 57 2HB PHE 57 15.306 13.001 2.571 468 HD1 PHE 57 HD1 PHE 57 14.741 16.531 3.756 469 HD2 PHE 57 HD2 PHE 57 17.625 13.508 2.629 470 HE1 PHE 57 HE1 PHE 57 16.611 17.893 4.660 471 HE2 PHE 57 HE2 PHE 57 19.459 14.919 3.547 472 HZ PHE 57 HZ PHE 57 18.962 17.076 4.545 473 H ARG 58 H ARG 58 15.510 15.313 -1.061 474 HA ARG 58 HA ARG 58 16.908 14.527 -2.670 475 1HB ARG 58 1HB ARG 58 17.902 13.466 -0.377 476 2HB ARG 58 2HB ARG 58 17.628 11.992 -1.272 477 1HG ARG 58 1HG ARG 58 19.154 12.744 -3.048 478 2HG ARG 58 2HG ARG 58 19.089 14.416 -2.417 479 1HD ARG 58 1HD ARG 58 19.893 13.089 -0.193 480 2HD ARG 58 2HD ARG 58 20.717 12.125 -1.392 481 HE ARG 58 HE ARG 58 21.387 14.546 -2.345 482 1HH1 ARG 58 1HH1 ARG 58 21.333 13.453 0.979 483 2HH1 ARG 58 2HH1 ARG 58 22.591 14.485 1.519 484 1HH2 ARG 58 1HH2 ARG 58 23.101 15.973 -1.735 485 2HH2 ARG 58 2HH2 ARG 58 23.589 15.962 -0.091 486 H ASN 59 H ASN 59 16.839 13.149 -4.401 487 HA ASN 59 HA ASN 59 14.544 11.250 -4.588 488 1HB ASN 59 1HB ASN 59 16.108 12.381 -6.935 489 2HB ASN 59 2HB ASN 59 14.477 11.638 -6.877 490 1HD2 ASN 59 1HD2 ASN 59 12.774 13.022 -6.982 491 2HD2 ASN 59 2HD2 ASN 59 12.820 14.672 -6.504 492 H TYR 60 H TYR 60 14.809 9.352 -5.642 493 HA TYR 60 HA TYR 60 17.605 8.520 -6.239 494 1HB TYR 60 1HB TYR 60 17.339 7.702 -4.040 495 2HB TYR 60 2HB TYR 60 15.645 7.191 -4.358 496 HD1 TYR 60 HD1 TYR 60 18.731 6.630 -6.519 497 HD2 TYR 60 HD2 TYR 60 15.749 4.870 -3.941 498 HE1 TYR 60 HE1 TYR 60 19.488 4.382 -7.093 499 HE2 TYR 60 HE2 TYR 60 16.562 2.602 -4.541 500 HH TYR 60 HH TYR 60 19.524 2.164 -6.211 501 H ILE 61 H ILE 61 16.804 8.707 -8.527 502 HA ILE 61 HA ILE 61 14.581 6.794 -9.237 503 HB ILE 61 HB ILE 61 15.157 7.850 -11.579 504 1HG1 ILE 61 1HG1 ILE 61 16.889 9.437 -10.341 505 2HG1 ILE 61 2HG1 ILE 61 15.947 10.040 -11.626 506 1HG2 ILE 61 1HG2 ILE 61 12.866 7.876 -10.845 507 2HG2 ILE 61 2HG2 ILE 61 13.222 9.588 -10.888 508 3HG2 ILE 61 3HG2 ILE 61 13.293 8.698 -9.332 509 1HD1 ILE 61 1HD1 ILE 61 16.085 11.571 -9.588 510 2HD1 ILE 61 2HD1 ILE 61 15.087 10.417 -8.676 511 3HD1 ILE 61 3HD1 ILE 61 14.413 11.234 -10.085 512 H MET 62 H MET 62 14.747 5.452 -10.974 513 HA MET 62 HA MET 62 17.457 4.640 -11.861 514 1HB MET 62 1HB MET 62 15.140 3.008 -10.670 515 2HB MET 62 2HB MET 62 16.177 2.292 -11.913 516 1HG MET 62 1HG MET 62 17.819 1.831 -10.526 517 2HG MET 62 2HG MET 62 17.805 3.415 -9.745 518 1HE MET 62 1HE MET 62 15.465 -0.372 -8.816 519 2HE MET 62 2HE MET 62 15.505 0.420 -10.388 520 3HE MET 62 3HE MET 62 14.230 0.861 -9.189 521 H ASP 63 H ASP 63 17.322 3.439 -13.833 522 HA ASP 63 HA ASP 63 14.823 3.489 -15.435 523 1HB ASP 63 1HB ASP 63 15.667 5.570 -16.282 524 2HB ASP 63 2HB ASP 63 17.347 5.157 -15.893 525 H PHE 64 H PHE 64 14.880 1.245 -15.337 526 HA PHE 64 HA PHE 64 17.422 -0.083 -16.134 527 1HB PHE 64 1HB PHE 64 15.139 -0.701 -14.313 528 2HB PHE 64 2HB PHE 64 16.062 -2.035 -15.043 529 HD1 PHE 64 HD1 PHE 64 16.217 -2.235 -12.351 530 HD2 PHE 64 HD2 PHE 64 18.351 0.672 -14.646 531 HE1 PHE 64 HE1 PHE 64 17.824 -2.031 -10.530 532 HE2 PHE 64 HE2 PHE 64 19.981 0.908 -12.855 533 HZ PHE 64 HZ PHE 64 19.778 -0.402 -10.785 534 H GLN 65 H GLN 65 17.227 -2.139 -17.253 535 HA GLN 65 HA GLN 65 14.822 -2.422 -19.036 536 1HB GLN 65 1HB GLN 65 17.827 -2.985 -19.379 537 2HB GLN 65 2HB GLN 65 16.611 -3.634 -20.494 538 1HG GLN 65 1HG GLN 65 15.808 -1.327 -21.052 539 2HG GLN 65 2HG GLN 65 17.119 -0.660 -20.062 540 1HE2 GLN 65 1HE2 GLN 65 16.350 -0.920 -23.079 541 2HE2 GLN 65 2HE2 GLN 65 17.851 -1.241 -23.855 542 H VAL 66 H VAL 66 13.680 -4.158 -18.327 543 HA VAL 66 HA VAL 66 14.665 -5.998 -16.409 544 HB VAL 66 HB VAL 66 12.109 -5.618 -17.958 545 1HG1 VAL 66 1HG1 VAL 66 12.023 -7.969 -16.100 546 2HG1 VAL 66 2HG1 VAL 66 12.846 -8.319 -17.651 547 3HG1 VAL 66 3HG1 VAL 66 11.220 -7.690 -17.656 548 1HG2 VAL 66 1HG2 VAL 66 12.931 -4.717 -15.527 549 2HG2 VAL 66 2HG2 VAL 66 12.236 -6.287 -15.036 550 3HG2 VAL 66 3HG2 VAL 66 11.232 -5.136 -15.897 551 H GLY 67 H GLY 67 15.351 -8.023 -16.550 552 1HA GLY 67 1HA GLY 67 16.172 -9.996 -17.403 553 2HA GLY 67 2HA GLY 67 15.223 -9.718 -18.814 554 H LYS 68 H LYS 68 17.477 -7.211 -17.857 555 HA LYS 68 HA LYS 68 19.483 -8.259 -19.847 556 1HB LYS 68 1HB LYS 68 17.977 -5.685 -20.052 557 2HB LYS 68 2HB LYS 68 19.671 -5.757 -20.549 558 1HG LYS 68 1HG LYS 68 18.868 -7.913 -21.964 559 2HG LYS 68 2HG LYS 68 17.288 -7.186 -21.765 560 1HD LYS 68 1HD LYS 68 18.040 -5.032 -22.727 561 2HD LYS 68 2HD LYS 68 19.704 -5.594 -22.790 562 1HE LYS 68 1HE LYS 68 19.425 -6.532 -24.827 563 2HE LYS 68 2HE LYS 68 18.137 -7.570 -24.260 564 1HZ LYS 68 1HZ LYS 68 16.623 -5.659 -24.590 565 2HZ LYS 68 2HZ LYS 68 17.453 -6.119 -26.018 566 3HZ LYS 68 3HZ LYS 68 17.895 -4.728 -25.212 567 H GLU 69 H GLU 69 21.541 -7.235 -19.784 568 HA GLU 69 HA GLU 69 22.472 -6.649 -17.065 569 1HB GLU 69 1HB GLU 69 23.649 -7.706 -19.056 570 2HB GLU 69 2HB GLU 69 23.989 -6.072 -19.613 571 1HG GLU 69 1HG GLU 69 25.325 -5.577 -17.699 572 2HG GLU 69 2HG GLU 69 24.704 -6.908 -16.783 573 H PHE 70 H PHE 70 23.725 -4.623 -16.610 574 HA PHE 70 HA PHE 70 23.038 -2.162 -18.082 575 1HB PHE 70 1HB PHE 70 21.171 -2.906 -16.365 576 2HB PHE 70 2HB PHE 70 22.288 -2.162 -15.190 577 HD1 PHE 70 HD1 PHE 70 21.200 -1.266 -18.678 578 HD2 PHE 70 HD2 PHE 70 21.643 -0.034 -14.621 579 HE1 PHE 70 HE1 PHE 70 20.397 0.942 -19.325 580 HE2 PHE 70 HE2 PHE 70 20.812 2.249 -15.266 581 HZ PHE 70 HZ PHE 70 20.196 2.779 -17.560 582 H GLU 71 H GLU 71 23.832 -0.257 -16.433 583 HA GLU 71 HA GLU 71 26.104 -1.030 -14.776 584 1HB GLU 71 1HB GLU 71 27.716 -1.014 -16.282 585 2HB GLU 71 2HB GLU 71 26.504 -0.772 -17.579 586 1HG GLU 71 1HG GLU 71 26.659 1.659 -17.294 587 2HG GLU 71 2HG GLU 71 27.686 1.493 -15.903 588 H GLU 72 H GLU 72 26.097 0.530 -13.223 589 HA GLU 72 HA GLU 72 24.820 3.167 -13.843 590 1HB GLU 72 1HB GLU 72 24.884 1.670 -11.206 591 2HB GLU 72 2HB GLU 72 24.079 3.181 -11.548 592 1HG GLU 72 1HG GLU 72 22.742 1.914 -13.316 593 2HG GLU 72 2HG GLU 72 23.461 0.423 -12.795 594 H ASP 73 H ASP 73 25.479 4.840 -12.303 595 HA ASP 73 HA ASP 73 28.462 4.826 -11.930 596 1HB ASP 73 1HB ASP 73 26.704 7.268 -11.562 597 2HB ASP 73 2HB ASP 73 28.429 7.130 -11.893 598 H LEU 74 H LEU 74 25.436 4.528 -10.364 599 HA LEU 74 HA LEU 74 26.861 4.724 -7.773 600 1HB LEU 74 1HB LEU 74 25.023 6.014 -6.757 601 2HB LEU 74 2HB LEU 74 26.149 6.784 -7.875 602 HG LEU 74 HG LEU 74 24.334 6.226 -9.730 603 1HD1 LEU 74 1HD1 LEU 74 22.204 5.636 -9.104 604 2HD1 LEU 74 2HD1 LEU 74 22.380 6.480 -7.524 605 3HD1 LEU 74 3HD1 LEU 74 23.052 4.881 -7.764 606 1HD2 LEU 74 1HD2 LEU 74 24.979 8.525 -8.461 607 2HD2 LEU 74 2HD2 LEU 74 23.470 8.233 -7.578 608 3HD2 LEU 74 3HD2 LEU 74 23.448 8.516 -9.344 609 H THR 75 H THR 75 24.926 4.160 -5.899 610 HA THR 75 HA THR 75 23.329 1.825 -6.859 611 HB THR 75 HB THR 75 24.930 0.425 -6.151 612 HG1 THR 75 HG1 THR 75 23.366 0.576 -4.453 613 1HG2 THR 75 1HG2 THR 75 26.724 2.133 -6.078 614 2HG2 THR 75 2HG2 THR 75 26.853 1.262 -4.544 615 3HG2 THR 75 3HG2 THR 75 26.098 2.843 -4.565 616 H GLY 76 H GLY 76 24.358 3.103 -3.674 617 1HA GLY 76 1HA GLY 76 21.566 4.022 -3.262 618 2HA GLY 76 2HA GLY 76 22.369 3.053 -2.027 619 H ILE 77 H ILE 77 22.612 6.144 -3.840 620 HA ILE 77 HA ILE 77 23.311 8.209 -3.256 621 HB ILE 77 HB ILE 77 23.352 7.219 -0.350 622 1HG1 ILE 77 1HG1 ILE 77 21.141 8.813 -1.722 623 2HG1 ILE 77 2HG1 ILE 77 21.175 7.063 -1.859 624 1HG2 ILE 77 1HG2 ILE 77 23.474 9.952 -1.743 625 2HG2 ILE 77 2HG2 ILE 77 24.620 9.304 -0.596 626 3HG2 ILE 77 3HG2 ILE 77 23.021 9.801 -0.006 627 1HD1 ILE 77 1HD1 ILE 77 19.888 7.165 0.075 628 2HD1 ILE 77 2HD1 ILE 77 20.637 8.715 0.583 629 3HD1 ILE 77 3HD1 ILE 77 21.491 7.163 0.790 630 H ASP 78 H ASP 78 24.986 6.205 -0.778 631 HA ASP 78 HA ASP 78 27.465 7.434 -0.762 632 1HB ASP 78 1HB ASP 78 26.819 5.913 0.881 633 2HB ASP 78 2HB ASP 78 26.764 4.539 -0.288 634 H ASP 79 H ASP 79 26.134 5.313 -3.082 635 HA ASP 79 HA ASP 79 26.623 4.574 -5.139 636 1HB ASP 79 1HB ASP 79 27.839 5.919 -6.639 637 2HB ASP 79 2HB ASP 79 26.741 6.853 -5.582 638 H ARG 80 H ARG 80 28.168 3.882 -6.729 639 HA ARG 80 HA ARG 80 30.895 3.252 -6.460 640 1HB ARG 80 1HB ARG 80 30.974 1.917 -4.718 641 2HB ARG 80 2HB ARG 80 29.220 1.575 -4.765 642 1HG ARG 80 1HG ARG 80 29.535 -0.111 -6.481 643 2HG ARG 80 2HG ARG 80 31.238 0.252 -6.639 644 1HD ARG 80 1HD ARG 80 29.864 -0.795 -4.109 645 2HD ARG 80 2HD ARG 80 30.881 -1.746 -5.263 646 HE ARG 80 HE ARG 80 31.872 0.213 -3.288 647 1HH1 ARG 80 1HH1 ARG 80 32.585 -1.828 -6.128 648 2HH1 ARG 80 2HH1 ARG 80 34.265 -1.707 -5.822 649 1HH2 ARG 80 1HH2 ARG 80 34.072 0.287 -2.953 650 2HH2 ARG 80 2HH2 ARG 80 35.134 -0.564 -4.067 651 H LYS 81 H LYS 81 31.239 2.942 -8.640 652 HA LYS 81 HA LYS 81 29.320 2.405 -10.544 653 1HB LYS 81 1HB LYS 81 32.320 1.880 -10.434 654 2HB LYS 81 2HB LYS 81 31.393 1.133 -11.692 655 1HG LYS 81 1HG LYS 81 30.740 3.271 -12.697 656 2HG LYS 81 2HG LYS 81 31.112 4.146 -11.194 657 1HD LYS 81 1HD LYS 81 32.832 4.418 -13.113 658 2HD LYS 81 2HD LYS 81 33.407 4.062 -11.500 659 1HE LYS 81 1HE LYS 81 34.025 1.784 -12.170 660 2HE LYS 81 2HE LYS 81 32.906 1.803 -13.525 661 1HZ LYS 81 1HZ LYS 81 35.569 3.090 -13.263 662 2HZ LYS 81 2HZ LYS 81 34.434 3.717 -14.343 663 3HZ LYS 81 3HZ LYS 81 34.926 2.107 -14.499 664 H CYS 82 H CYS 82 28.078 0.720 -10.956 665 HA CYS 82 HA CYS 82 29.146 -1.945 -10.216 666 1HB CYS 82 1HB CYS 82 26.506 -2.413 -9.767 667 2HB CYS 82 2HB CYS 82 27.607 -1.868 -8.505 668 HG CYS 82 HG CYS 82 25.204 -0.450 -10.121 669 H MET 83 H MET 83 27.703 -3.642 -11.232 670 HA MET 83 HA MET 83 26.559 -2.903 -13.927 671 1HB MET 83 1HB MET 83 27.952 -5.537 -13.331 672 2HB MET 83 2HB MET 83 27.531 -4.818 -14.894 673 1HG MET 83 1HG MET 83 29.418 -3.305 -14.870 674 2HG MET 83 2HG MET 83 29.582 -3.446 -13.160 675 1HE MET 83 1HE MET 83 31.097 -3.869 -16.208 676 2HE MET 83 2HE MET 83 30.597 -5.514 -16.721 677 3HE MET 83 3HE MET 83 32.236 -5.239 -16.145 678 H THR 84 H THR 84 24.544 -2.913 -13.213 679 HA THR 84 HA THR 84 23.616 -5.088 -11.448 680 HB THR 84 HB THR 84 22.379 -2.544 -12.369 681 HG1 THR 84 HG1 THR 84 23.864 -1.894 -11.061 682 1HG2 THR 84 1HG2 THR 84 21.479 -4.781 -10.471 683 2HG2 THR 84 2HG2 THR 84 20.468 -3.814 -11.543 684 3HG2 THR 84 3HG2 THR 84 21.111 -3.127 -10.018 685 H THR 85 H THR 85 22.425 -6.629 -12.035 686 HA THR 85 HA THR 85 21.188 -6.636 -14.791 687 HB THR 85 HB THR 85 21.575 -9.110 -13.106 688 HG1 THR 85 HG1 THR 85 23.591 -8.060 -13.060 689 1HG2 THR 85 1HG2 THR 85 22.078 -10.085 -15.430 690 2HG2 THR 85 2HG2 THR 85 21.941 -8.443 -16.122 691 3HG2 THR 85 3HG2 THR 85 20.504 -9.254 -15.410 692 H VAL 86 H VAL 86 19.005 -6.724 -14.800 693 HA VAL 86 HA VAL 86 17.557 -7.322 -12.257 694 HB VAL 86 HB VAL 86 16.965 -5.510 -14.647 695 1HG1 VAL 86 1HG1 VAL 86 14.509 -5.484 -14.035 696 2HG1 VAL 86 2HG1 VAL 86 14.843 -6.871 -12.959 697 3HG1 VAL 86 3HG1 VAL 86 15.091 -7.058 -14.678 698 1HG2 VAL 86 1HG2 VAL 86 17.238 -5.341 -11.699 699 2HG2 VAL 86 2HG2 VAL 86 15.717 -4.577 -12.197 700 3HG2 VAL 86 3HG2 VAL 86 17.213 -3.992 -12.887 701 H SER 87 H SER 87 16.422 -9.305 -12.309 702 HA SER 87 HA SER 87 15.598 -10.379 -14.926 703 1HB SER 87 1HB SER 87 18.042 -11.179 -14.414 704 2HB SER 87 2HB SER 87 17.286 -12.081 -13.052 705 HG SER 87 HG SER 87 17.468 -12.870 -15.476 706 H TRP 88 H TRP 88 14.052 -11.847 -14.834 707 HA TRP 88 HA TRP 88 12.610 -12.069 -12.240 708 1HB TRP 88 1HB TRP 88 10.878 -13.182 -13.869 709 2HB TRP 88 2HB TRP 88 11.028 -11.424 -13.808 710 HD1 TRP 88 HD1 TRP 88 11.959 -10.185 -16.194 711 HE1 TRP 88 HE1 TRP 88 12.352 -11.127 -18.517 712 HE3 TRP 88 HE3 TRP 88 11.640 -15.232 -15.202 713 HZ2 TRP 88 HZ2 TRP 88 12.532 -13.577 -19.851 714 HZ3 TRP 88 HZ3 TRP 88 11.958 -16.819 -17.127 715 HH2 TRP 88 HH2 TRP 88 12.387 -15.999 -19.395 716 H ASP 89 H ASP 89 12.557 -13.942 -11.183 717 HA ASP 89 HA ASP 89 14.200 -16.176 -12.228 718 1HB ASP 89 1HB ASP 89 14.456 -16.398 -9.951 719 2HB ASP 89 2HB ASP 89 13.077 -15.308 -9.663 720 H GLY 90 H GLY 90 10.883 -15.373 -11.278 721 1HA GLY 90 1HA GLY 90 9.870 -16.888 -13.587 722 2HA GLY 90 2HA GLY 90 9.381 -17.548 -11.969 723 H ASP 91 H ASP 91 8.445 -16.090 -10.424 724 HA ASP 91 HA ASP 91 6.620 -14.125 -11.830 725 1HB ASP 91 1HB ASP 91 6.188 -15.925 -9.511 726 2HB ASP 91 2HB ASP 91 5.142 -14.523 -9.811 727 H LYS 92 H LYS 92 9.367 -13.751 -10.291 728 HA LYS 92 HA LYS 92 8.355 -11.455 -8.601 729 1HB LYS 92 1HB LYS 92 10.947 -12.841 -7.901 730 2HB LYS 92 2HB LYS 92 9.883 -11.916 -6.853 731 1HG LYS 92 1HG LYS 92 8.136 -13.685 -7.066 732 2HG LYS 92 2HG LYS 92 9.321 -14.759 -7.827 733 1HD LYS 92 1HD LYS 92 10.728 -13.717 -5.589 734 2HD LYS 92 2HD LYS 92 9.077 -13.976 -4.966 735 1HE LYS 92 1HE LYS 92 10.636 -16.087 -6.480 736 2HE LYS 92 2HE LYS 92 10.755 -15.848 -4.703 737 1HZ LYS 92 1HZ LYS 92 8.445 -16.671 -6.354 738 2HZ LYS 92 2HZ LYS 92 8.239 -16.092 -4.765 739 3HZ LYS 92 3HZ LYS 92 9.113 -17.501 -5.036 740 H LEU 93 H LEU 93 10.638 -10.311 -7.927 741 HA LEU 93 HA LEU 93 12.182 -9.853 -10.474 742 1HB LEU 93 1HB LEU 93 10.244 -8.246 -10.110 743 2HB LEU 93 2HB LEU 93 11.077 -7.643 -8.701 744 HG LEU 93 HG LEU 93 12.283 -7.692 -11.531 745 1HD1 LEU 93 1HD1 LEU 93 10.022 -6.279 -10.835 746 2HD1 LEU 93 2HD1 LEU 93 11.153 -5.758 -12.069 747 3HD1 LEU 93 3HD1 LEU 93 11.303 -5.089 -10.406 748 1HD2 LEU 93 1HD2 LEU 93 13.591 -5.615 -10.230 749 2HD2 LEU 93 2HD2 LEU 93 14.100 -7.284 -9.992 750 3HD2 LEU 93 3HD2 LEU 93 13.028 -6.556 -8.811 751 H GLN 94 H GLN 94 14.344 -9.806 -9.901 752 HA GLN 94 HA GLN 94 15.058 -9.285 -7.011 753 1HB GLN 94 1HB GLN 94 16.880 -11.142 -8.033 754 2HB GLN 94 2HB GLN 94 15.785 -11.208 -6.632 755 1HG GLN 94 1HG GLN 94 14.046 -12.313 -8.020 756 2HG GLN 94 2HG GLN 94 14.823 -11.820 -9.482 757 1HE2 GLN 94 1HE2 GLN 94 15.704 -13.843 -6.529 758 2HE2 GLN 94 2HE2 GLN 94 16.461 -15.067 -7.477 759 H CYS 95 H CYS 95 17.671 -9.502 -6.958 760 HA CYS 95 HA CYS 95 19.036 -8.305 -9.287 761 1HB CYS 95 1HB CYS 95 18.144 -6.721 -6.952 762 2HB CYS 95 2HB CYS 95 19.856 -6.478 -7.384 763 HG CYS 95 HG CYS 95 17.260 -5.210 -8.549 764 H VAL 96 H VAL 96 21.114 -8.781 -9.355 765 HA VAL 96 HA VAL 96 22.127 -10.356 -7.047 766 HB VAL 96 HB VAL 96 22.921 -10.167 -9.956 767 1HG1 VAL 96 1HG1 VAL 96 24.679 -10.851 -7.579 768 2HG1 VAL 96 2HG1 VAL 96 25.069 -9.984 -9.083 769 3HG1 VAL 96 3HG1 VAL 96 24.951 -11.725 -9.129 770 1HG2 VAL 96 1HG2 VAL 96 22.380 -12.504 -10.013 771 2HG2 VAL 96 2HG2 VAL 96 21.307 -11.990 -8.666 772 3HG2 VAL 96 3HG2 VAL 96 22.868 -12.762 -8.355 773 H GLN 97 H GLN 97 23.053 -7.834 -9.301 774 HA GLN 97 HA GLN 97 24.134 -5.845 -9.165 775 1HB GLN 97 1HB GLN 97 24.378 -6.412 -6.158 776 2HB GLN 97 2HB GLN 97 24.815 -4.909 -6.922 777 1HG GLN 97 1HG GLN 97 22.045 -5.756 -7.623 778 2HG GLN 97 2HG GLN 97 22.239 -5.621 -5.892 779 1HE2 GLN 97 1HE2 GLN 97 22.831 -3.831 -8.962 780 2HE2 GLN 97 2HE2 GLN 97 22.586 -2.236 -8.305 781 H LYS 98 H LYS 98 26.223 -6.032 -10.123 782 HA LYS 98 HA LYS 98 28.127 -7.908 -8.767 783 1HB LYS 98 1HB LYS 98 28.372 -6.569 -11.457 784 2HB LYS 98 2HB LYS 98 29.519 -7.679 -10.719 785 1HG LYS 98 1HG LYS 98 27.702 -9.434 -10.638 786 2HG LYS 98 2HG LYS 98 26.669 -8.274 -11.529 787 1HD LYS 98 1HD LYS 98 28.752 -8.191 -13.175 788 2HD LYS 98 2HD LYS 98 29.160 -9.752 -12.434 789 1HE LYS 98 1HE LYS 98 27.545 -10.808 -13.662 790 2HE LYS 98 2HE LYS 98 26.272 -9.693 -13.112 791 1HZ LYS 98 1HZ LYS 98 27.927 -9.494 -15.490 792 2HZ LYS 98 2HZ LYS 98 27.267 -8.104 -14.823 793 3HZ LYS 98 3HZ LYS 98 26.235 -9.347 -15.350 794 H GLY 99 H GLY 99 28.340 -6.227 -6.965 795 1HA GLY 99 1HA GLY 99 30.187 -4.007 -7.727 796 2HA GLY 99 2HA GLY 99 29.216 -4.014 -6.250 797 H GLU 100 H GLU 100 29.888 -5.311 -4.440 798 HA GLU 100 HA GLU 100 32.233 -7.049 -4.646 799 1HB GLU 100 1HB GLU 100 33.619 -5.389 -4.851 800 2HB GLU 100 2HB GLU 100 32.657 -4.244 -3.874 801 1HG GLU 100 1HG GLU 100 33.268 -5.400 -1.820 802 2HG GLU 100 2HG GLU 100 34.121 -6.674 -2.660 803 H LYS 101 H LYS 101 30.205 -5.119 -2.299 804 HA LYS 101 HA LYS 101 30.955 -6.228 0.083 805 1HB LYS 101 1HB LYS 101 28.558 -4.993 -1.020 806 2HB LYS 101 2HB LYS 101 28.277 -5.929 0.426 807 1HG LYS 101 1HG LYS 101 28.891 -3.575 0.985 808 2HG LYS 101 2HG LYS 101 30.085 -4.749 1.624 809 1HD LYS 101 1HD LYS 101 31.603 -4.312 -0.180 810 2HD LYS 101 2HD LYS 101 30.481 -3.200 -0.981 811 1HE LYS 101 1HE LYS 101 31.002 -2.563 1.868 812 2HE LYS 101 2HE LYS 101 32.470 -2.488 0.786 813 1HZ LYS 101 1HZ LYS 101 29.865 -1.079 0.489 814 2HZ LYS 101 2HZ LYS 101 31.059 -1.105 -0.706 815 3HZ LYS 101 3HZ LYS 101 31.382 -0.415 0.825 816 H GLU 102 H GLU 102 30.266 -8.097 1.328 817 HA GLU 102 HA GLU 102 29.376 -10.481 -0.126 818 1HB GLU 102 1HB GLU 102 29.362 -11.398 2.276 819 2HB GLU 102 2HB GLU 102 30.889 -11.014 1.483 820 1HG GLU 102 1HG GLU 102 31.131 -9.006 2.894 821 2HG GLU 102 2HG GLU 102 29.442 -9.125 3.358 822 H GLY 103 H GLY 103 27.297 -9.787 -0.803 823 1HA GLY 103 1HA GLY 103 25.090 -10.862 0.394 824 2HA GLY 103 2HA GLY 103 25.307 -9.558 1.441 825 H ARG 104 H ARG 104 26.269 -8.271 -1.507 826 HA ARG 104 HA ARG 104 24.097 -6.523 -1.748 827 1HB ARG 104 1HB ARG 104 26.136 -7.437 -3.789 828 2HB ARG 104 2HB ARG 104 24.935 -6.164 -4.092 829 1HG ARG 104 1HG ARG 104 25.732 -5.056 -1.949 830 2HG ARG 104 2HG ARG 104 27.119 -6.156 -1.975 831 1HD ARG 104 1HD ARG 104 27.997 -5.140 -3.865 832 2HD ARG 104 2HD ARG 104 26.451 -4.600 -4.492 833 HE ARG 104 HE ARG 104 27.423 -3.358 -1.995 834 1HH1 ARG 104 1HH1 ARG 104 26.909 -3.020 -5.430 835 2HH1 ARG 104 2HH1 ARG 104 27.088 -1.277 -5.407 836 1HH2 ARG 104 1HH2 ARG 104 27.668 -0.988 -1.991 837 2HH2 ARG 104 2HH2 ARG 104 27.499 -0.178 -3.495 838 H GLY 105 H GLY 105 22.618 -6.215 -3.457 839 1HA GLY 105 1HA GLY 105 21.225 -7.167 -5.279 840 2HA GLY 105 2HA GLY 105 21.522 -8.757 -4.564 841 H TRP 106 H TRP 106 18.947 -7.389 -5.167 842 HA TRP 106 HA TRP 106 17.832 -7.185 -2.410 843 1HB TRP 106 1HB TRP 106 16.231 -6.034 -4.598 844 2HB TRP 106 2HB TRP 106 16.440 -5.557 -2.937 845 HD1 TRP 106 HD1 TRP 106 19.688 -5.122 -2.966 846 HE1 TRP 106 HE1 TRP 106 20.728 -3.082 -4.231 847 HE3 TRP 106 HE3 TRP 106 15.839 -4.060 -6.138 848 HZ2 TRP 106 HZ2 TRP 106 20.000 -1.315 -6.261 849 HZ3 TRP 106 HZ3 TRP 106 16.018 -2.184 -7.735 850 HH2 TRP 106 HH2 TRP 106 18.114 -0.810 -7.793 851 H THR 107 H THR 107 15.237 -7.594 -2.666 852 HA THR 107 HA THR 107 14.748 -9.751 -4.603 853 HB THR 107 HB THR 107 14.247 -10.480 -1.714 854 HG1 THR 107 HG1 THR 107 16.318 -10.919 -1.405 855 1HG2 THR 107 1HG2 THR 107 14.252 -11.669 -4.433 856 2HG2 THR 107 2HG2 THR 107 13.652 -12.430 -2.932 857 3HG2 THR 107 3HG2 THR 107 15.323 -12.647 -3.395 858 H GLN 108 H GLN 108 13.077 -8.692 -5.407 859 HA GLN 108 HA GLN 108 11.013 -7.570 -3.576 860 1HB GLN 108 1HB GLN 108 11.179 -7.437 -6.583 861 2HB GLN 108 2HB GLN 108 10.129 -6.510 -5.586 862 1HG GLN 108 1HG GLN 108 12.036 -5.309 -4.591 863 2HG GLN 108 2HG GLN 108 13.204 -6.314 -5.502 864 1HE2 GLN 108 1HE2 GLN 108 13.970 -4.301 -6.378 865 2HE2 GLN 108 2HE2 GLN 108 13.188 -3.484 -7.705 866 H TRP 109 H TRP 109 8.791 -8.244 -3.711 867 HA TRP 109 HA TRP 109 7.789 -10.140 -5.665 868 1HB TRP 109 1HB TRP 109 8.404 -12.056 -4.871 869 2HB TRP 109 2HB TRP 109 9.044 -11.344 -3.379 870 HD1 TRP 109 HD1 TRP 109 7.312 -10.919 -1.257 871 HE1 TRP 109 HE1 TRP 109 5.245 -12.251 -0.538 872 HE3 TRP 109 HE3 TRP 109 6.429 -13.425 -5.630 873 HZ2 TRP 109 HZ2 TRP 109 3.452 -14.116 -1.673 874 HZ3 TRP 109 HZ3 TRP 109 4.491 -14.995 -5.762 875 HH2 TRP 109 HH2 TRP 109 3.016 -15.304 -3.715 876 H ILE 110 H ILE 110 5.721 -9.754 -5.769 877 HA ILE 110 HA ILE 110 4.471 -8.006 -3.808 878 HB ILE 110 HB ILE 110 3.654 -8.957 -6.578 879 1HG1 ILE 110 1HG1 ILE 110 4.829 -6.375 -5.487 880 2HG1 ILE 110 2HG1 ILE 110 5.709 -7.656 -6.327 881 1HG2 ILE 110 1HG2 ILE 110 1.594 -8.226 -5.285 882 2HG2 ILE 110 2HG2 ILE 110 2.047 -6.978 -6.478 883 3HG2 ILE 110 3HG2 ILE 110 2.437 -6.763 -4.748 884 1HD1 ILE 110 1HD1 ILE 110 4.937 -7.103 -8.403 885 2HD1 ILE 110 2HD1 ILE 110 4.773 -5.487 -7.641 886 3HD1 ILE 110 3HD1 ILE 110 3.378 -6.515 -7.851 887 H GLU 111 H GLU 111 2.276 -8.230 -3.155 888 HA GLU 111 HA GLU 111 1.190 -10.979 -2.871 889 1HB GLU 111 1HB GLU 111 1.890 -8.941 -0.730 890 2HB GLU 111 2HB GLU 111 0.579 -10.066 -0.445 891 1HG GLU 111 1HG GLU 111 2.320 -11.944 -1.153 892 2HG GLU 111 2HG GLU 111 3.496 -10.698 -0.744 893 H GLY 112 H GLY 112 0.181 -9.595 -4.773 894 1HA GLY 112 1HA GLY 112 -1.769 -8.694 -5.563 895 2HA GLY 112 2HA GLY 112 -2.403 -8.764 -3.858 896 H ASP 113 H ASP 113 -2.261 -6.864 -2.610 897 HA ASP 113 HA ASP 113 -1.214 -4.430 -4.033 898 1HB ASP 113 1HB ASP 113 -3.492 -4.883 -2.095 899 2HB ASP 113 2HB ASP 113 -2.786 -3.284 -2.366 900 H GLU 114 H GLU 114 0.287 -6.443 -2.104 901 HA GLU 114 HA GLU 114 1.318 -4.278 -0.245 902 1HB GLU 114 1HB GLU 114 0.599 -7.107 0.240 903 2HB GLU 114 2HB GLU 114 1.940 -6.457 1.147 904 1HG GLU 114 1HG GLU 114 0.627 -4.919 2.328 905 2HG GLU 114 2HG GLU 114 -0.613 -4.786 1.118 906 H LEU 115 H LEU 115 3.069 -3.762 -1.555 907 HA LEU 115 HA LEU 115 4.770 -5.715 -2.810 908 1HB LEU 115 1HB LEU 115 4.576 -2.887 -2.743 909 2HB LEU 115 2HB LEU 115 6.041 -3.224 -1.846 910 HG LEU 115 HG LEU 115 5.397 -3.828 -4.722 911 1HD1 LEU 115 1HD1 LEU 115 7.377 -2.443 -5.144 912 2HD1 LEU 115 2HD1 LEU 115 7.858 -2.554 -3.439 913 3HD1 LEU 115 3HD1 LEU 115 6.431 -1.588 -3.911 914 1HD2 LEU 115 1HD2 LEU 115 6.455 -5.880 -4.002 915 2HD2 LEU 115 2HD2 LEU 115 7.529 -5.091 -2.880 916 3HD2 LEU 115 3HD2 LEU 115 7.817 -4.900 -4.645 917 H HIS 116 H HIS 116 6.105 -7.046 -1.910 918 HA HIS 116 HA HIS 116 7.170 -6.520 0.872 919 1HB HIS 116 1HB HIS 116 5.651 -8.525 0.042 920 2HB HIS 116 2HB HIS 116 7.244 -9.193 -0.395 921 HD1 HIS 116 HD1 HIS 116 6.062 -7.226 2.732 922 HD2 HIS 116 HD2 HIS 116 7.982 -10.866 1.687 923 HE1 HIS 116 HE1 HIS 116 6.705 -8.403 4.869 924 HE2 HIS 116 HE2 HIS 116 7.860 -10.608 4.243 925 H LEU 117 H LEU 117 9.079 -5.427 0.494 926 HA LEU 117 HA LEU 117 10.899 -6.631 -1.600 927 1HB LEU 117 1HB LEU 117 10.518 -4.484 -2.201 928 2HB LEU 117 2HB LEU 117 10.344 -3.868 -0.662 929 HG LEU 117 HG LEU 117 13.078 -4.980 -1.305 930 1HD1 LEU 117 1HD1 LEU 117 13.541 -2.550 -2.366 931 2HD1 LEU 117 2HD1 LEU 117 11.783 -2.545 -2.662 932 3HD1 LEU 117 3HD1 LEU 117 12.832 -3.806 -3.370 933 1HD2 LEU 117 1HD2 LEU 117 11.991 -3.328 0.768 934 2HD2 LEU 117 2HD2 LEU 117 12.924 -2.210 -0.208 935 3HD2 LEU 117 3HD2 LEU 117 13.723 -3.653 0.452 936 H GLU 118 H GLU 118 12.377 -7.998 -0.678 937 HA GLU 118 HA GLU 118 13.256 -7.332 2.070 938 1HB GLU 118 1HB GLU 118 13.938 -9.981 0.891 939 2HB GLU 118 2HB GLU 118 13.409 -9.591 2.548 940 1HG GLU 118 1HG GLU 118 11.127 -9.102 1.506 941 2HG GLU 118 2HG GLU 118 11.677 -9.713 -0.015 942 H MET 119 H MET 119 14.826 -5.819 1.427 943 HA MET 119 HA MET 119 16.774 -6.326 -0.689 944 1HB MET 119 1HB MET 119 15.673 -4.047 0.317 945 2HB MET 119 2HB MET 119 17.072 -4.231 1.408 946 1HG MET 119 1HG MET 119 18.483 -3.573 -0.239 947 2HG MET 119 2HG MET 119 17.784 -4.668 -1.438 948 1HE MET 119 1HE MET 119 16.603 -2.066 0.854 949 2HE MET 119 2HE MET 119 15.473 -1.105 -0.094 950 3HE MET 119 3HE MET 119 17.229 -0.648 -0.032 951 H ARG 120 H ARG 120 18.968 -6.329 -0.431 952 HA ARG 120 HA ARG 120 19.978 -7.411 2.185 953 1HB ARG 120 1HB ARG 120 21.131 -8.538 -0.274 954 2HB ARG 120 2HB ARG 120 20.901 -9.210 1.340 955 1HG ARG 120 1HG ARG 120 18.349 -8.811 -0.237 956 2HG ARG 120 2HG ARG 120 19.453 -10.046 -0.812 957 1HD ARG 120 1HD ARG 120 18.797 -9.785 2.162 958 2HD ARG 120 2HD ARG 120 17.596 -10.506 1.124 959 HE ARG 120 HE ARG 120 20.229 -11.677 0.642 960 1HH1 ARG 120 1HH1 ARG 120 17.545 -11.773 2.828 961 2HH1 ARG 120 2HH1 ARG 120 17.786 -13.374 3.400 962 1HH2 ARG 120 1HH2 ARG 120 20.724 -13.743 1.243 963 2HH2 ARG 120 2HH2 ARG 120 19.747 -14.534 2.409 964 H ALA 121 H ALA 121 22.043 -6.654 2.735 965 HA ALA 121 HA ALA 121 23.947 -5.758 0.708 966 1HB ALA 121 1HB ALA 121 24.238 -3.499 1.738 967 2HB ALA 121 2HB ALA 121 22.658 -3.663 2.572 968 3HB ALA 121 3HB ALA 121 22.718 -3.627 0.800 969 H GLU 122 H GLU 122 25.978 -6.163 1.487 970 HA GLU 122 HA GLU 122 27.509 -7.011 2.916 971 1HB GLU 122 1HB GLU 122 27.637 -4.653 3.153 972 2HB GLU 122 2HB GLU 122 26.589 -4.717 4.571 973 1HG GLU 122 1HG GLU 122 28.213 -5.374 5.978 974 2HG GLU 122 2HG GLU 122 28.887 -6.589 4.881 975 H GLY 123 H GLY 123 25.360 -8.618 3.222 976 1HA GLY 123 1HA GLY 123 24.662 -10.351 4.722 977 2HA GLY 123 2HA GLY 123 25.729 -9.742 5.893 978 H VAL 124 H VAL 124 23.361 -7.316 4.770 979 HA VAL 124 HA VAL 124 21.932 -7.725 7.377 980 HB VAL 124 HB VAL 124 21.407 -5.466 7.442 981 1HG1 VAL 124 1HG1 VAL 124 24.049 -4.758 6.428 982 2HG1 VAL 124 2HG1 VAL 124 24.137 -6.267 7.380 983 3HG1 VAL 124 3HG1 VAL 124 23.500 -4.809 8.118 984 1HG2 VAL 124 1HG2 VAL 124 22.504 -4.078 5.302 985 2HG2 VAL 124 2HG2 VAL 124 20.789 -4.373 5.523 986 3HG2 VAL 124 3HG2 VAL 124 21.770 -5.442 4.487 987 H THR 125 H THR 125 19.639 -6.989 7.209 988 HA THR 125 HA THR 125 18.355 -7.650 4.576 989 HB THR 125 HB THR 125 17.378 -8.768 7.200 990 HG1 THR 125 HG1 THR 125 18.541 -10.666 5.778 991 1HG2 THR 125 1HG2 THR 125 15.633 -9.181 5.688 992 2HG2 THR 125 2HG2 THR 125 16.605 -10.584 5.317 993 3HG2 THR 125 3HG2 THR 125 16.654 -9.129 4.265 994 H CYS 126 H CYS 126 17.845 -5.497 4.273 995 HA CYS 126 HA CYS 126 16.132 -4.162 6.321 996 1HB CYS 126 1HB CYS 126 18.028 -2.933 5.228 997 2HB CYS 126 2HB CYS 126 17.201 -3.049 3.645 998 HG CYS 126 HG CYS 126 15.669 -1.314 3.940 999 H LYS 127 H LYS 127 14.211 -5.168 6.201 1000 HA LYS 127 HA LYS 127 12.954 -5.659 3.508 1001 1HB LYS 127 1HB LYS 127 11.450 -6.326 5.934 1002 2HB LYS 127 2HB LYS 127 11.657 -7.239 4.443 1003 1HG LYS 127 1HG LYS 127 13.892 -8.012 5.248 1004 2HG LYS 127 2HG LYS 127 13.705 -7.045 6.754 1005 1HD LYS 127 1HD LYS 127 13.094 -9.394 7.120 1006 2HD LYS 127 2HD LYS 127 11.691 -8.290 7.303 1007 1HE LYS 127 1HE LYS 127 12.103 -9.401 4.543 1008 2HE LYS 127 2HE LYS 127 11.526 -10.531 5.833 1009 1HZ LYS 127 1HZ LYS 127 10.024 -8.815 4.350 1010 2HZ LYS 127 2HZ LYS 127 10.238 -7.940 5.774 1011 3HZ LYS 127 3HZ LYS 127 9.558 -9.464 5.851 1012 H GLN 128 H GLN 128 10.856 -4.745 3.035 1013 HA GLN 128 HA GLN 128 9.789 -2.809 5.003 1014 1HB GLN 128 1HB GLN 128 10.239 -2.096 2.075 1015 2HB GLN 128 2HB GLN 128 9.698 -1.045 3.369 1016 1HG GLN 128 1HG GLN 128 11.805 -0.966 4.422 1017 2HG GLN 128 2HG GLN 128 12.391 -2.353 3.487 1018 1HE2 GLN 128 1HE2 GLN 128 10.563 0.413 2.161 1019 2HE2 GLN 128 2HE2 GLN 128 11.828 1.090 1.231 1020 H VAL 129 H VAL 129 7.752 -3.002 5.195 1021 HA VAL 129 HA VAL 129 6.130 -4.553 3.217 1022 HB VAL 129 HB VAL 129 5.258 -3.363 5.884 1023 1HG1 VAL 129 1HG1 VAL 129 3.217 -4.060 5.115 1024 2HG1 VAL 129 2HG1 VAL 129 3.785 -5.729 5.302 1025 3HG1 VAL 129 3HG1 VAL 129 3.905 -4.926 3.725 1026 1HG2 VAL 129 1HG2 VAL 129 6.326 -6.198 5.209 1027 2HG2 VAL 129 2HG2 VAL 129 5.626 -5.690 6.727 1028 3HG2 VAL 129 3HG2 VAL 129 7.175 -4.985 6.136 1029 H PHE 130 H PHE 130 5.300 -3.353 1.573 1030 HA PHE 130 HA PHE 130 4.683 -0.454 1.971 1031 1HB PHE 130 1HB PHE 130 4.892 -2.149 -0.522 1032 2HB PHE 130 2HB PHE 130 4.317 -0.509 -0.528 1033 HD1 PHE 130 HD1 PHE 130 7.246 -2.690 -0.432 1034 HD2 PHE 130 HD2 PHE 130 5.992 1.345 0.200 1035 HE1 PHE 130 HE1 PHE 130 9.591 -1.994 -0.607 1036 HE2 PHE 130 HE2 PHE 130 8.313 2.095 0.045 1037 HZ PHE 130 HZ PHE 130 10.125 0.471 -0.367 1038 H LYS 131 H LYS 131 2.743 0.153 0.501 1039 HA LYS 131 HA LYS 131 0.633 -1.957 0.563 1040 1HB LYS 131 1HB LYS 131 0.462 -0.933 2.809 1041 2HB LYS 131 2HB LYS 131 0.548 0.670 2.092 1042 1HG LYS 131 1HG LYS 131 -1.782 0.276 2.585 1043 2HG LYS 131 2HG LYS 131 -1.578 0.109 0.795 1044 1HD LYS 131 1HD LYS 131 -2.374 -2.016 0.872 1045 2HD LYS 131 2HD LYS 131 -0.968 -2.430 1.842 1046 1HE LYS 131 1HE LYS 131 -2.588 -3.022 3.424 1047 2HE LYS 131 2HE LYS 131 -2.516 -1.285 3.788 1048 1HZ LYS 131 1HZ LYS 131 -4.495 -0.916 2.655 1049 2HZ LYS 131 2HZ LYS 131 -4.760 -2.468 3.272 1050 3HZ LYS 131 3HZ LYS 131 -4.384 -2.295 1.664 1051 H LYS 132 H LYS 132 -0.314 -1.787 -1.459 1052 HA LYS 132 HA LYS 132 0.208 0.691 -2.947 1053 1HB LYS 132 1HB LYS 132 -0.158 -1.960 -3.572 1054 2HB LYS 132 2HB LYS 132 -1.741 -1.318 -4.003 1055 1HG LYS 132 1HG LYS 132 -0.673 0.369 -5.498 1056 2HG LYS 132 2HG LYS 132 0.946 -0.370 -5.114 1057 1HD LYS 132 1HD LYS 132 0.492 -1.816 -6.839 1058 2HD LYS 132 2HD LYS 132 -0.704 -2.545 -5.746 1059 1HE LYS 132 1HE LYS 132 -2.467 -1.638 -6.904 1060 2HE LYS 132 2HE LYS 132 -1.596 -0.143 -7.366 1061 1HZ LYS 132 1HZ LYS 132 -0.720 -1.064 -9.154 1062 2HZ LYS 132 2HZ LYS 132 -2.142 -1.941 -9.041 1063 3HZ LYS 132 3HZ LYS 132 -0.717 -2.656 -8.526 1064 H VAL 133 H VAL 133 -1.085 2.418 -2.977 1065 HA VAL 133 HA VAL 133 -3.576 2.351 -1.499 1066 HB VAL 133 HB VAL 133 -2.436 4.702 -2.970 1067 1HG1 VAL 133 1HG1 VAL 133 -3.862 5.592 -0.710 1068 2HG1 VAL 133 2HG1 VAL 133 -4.803 4.177 -1.298 1069 3HG1 VAL 133 3HG1 VAL 133 -4.501 5.549 -2.334 1070 1HG2 VAL 133 1HG2 VAL 133 -1.645 5.282 -0.552 1071 2HG2 VAL 133 2HG2 VAL 133 -0.709 3.967 -1.341 1072 3HG2 VAL 133 3HG2 VAL 133 -1.960 3.556 -0.172 1073 H HIS 134 H HIS 134 -2.691 3.622 -4.714 1074 HA HIS 134 HA HIS 134 -3.664 3.504 -6.762 1075 1HB HIS 134 1HB HIS 134 -4.434 1.562 -7.284 1076 2HB HIS 134 2HB HIS 134 -4.327 1.126 -5.559 1077 HD1 HIS 134 HD1 HIS 134 -6.435 0.235 -4.702 1078 HD2 HIS 134 HD2 HIS 134 -7.068 2.835 -7.906 1079 HE1 HIS 134 HE1 HIS 134 -8.990 0.254 -5.148 1080 HE2 HIS 134 HE2 HIS 134 -9.342 1.844 -7.105 Start of MODEL 9 1 1H PRO 1 1H PRO 1 1.665 -7.065 -19.056 2 2H PRO 1 2H PRO 1 0.444 -8.174 -18.950 3 HA PRO 1 HA PRO 1 1.790 -9.896 -18.368 4 1HB PRO 1 1HB PRO 1 3.993 -8.459 -19.875 5 2HB PRO 1 2HB PRO 1 3.776 -10.216 -19.626 6 1HG PRO 1 1HG PRO 1 2.912 -9.098 -21.958 7 2HG PRO 1 2HG PRO 1 1.996 -10.393 -21.176 8 1HD PRO 1 1HD PRO 1 1.238 -7.566 -21.380 9 2HD PRO 1 2HD PRO 1 0.245 -8.921 -20.829 10 H VAL 2 H VAL 2 1.909 -9.409 -16.153 11 HA VAL 2 HA VAL 2 2.939 -8.934 -14.178 12 HB VAL 2 HB VAL 2 5.191 -7.677 -15.770 13 1HG1 VAL 2 1HG1 VAL 2 4.642 -7.816 -12.867 14 2HG1 VAL 2 2HG1 VAL 2 5.822 -6.830 -13.765 15 3HG1 VAL 2 3HG1 VAL 2 6.205 -8.478 -13.278 16 1HG2 VAL 2 1HG2 VAL 2 5.581 -10.254 -14.342 17 2HG2 VAL 2 2HG2 VAL 2 6.027 -9.870 -15.981 18 3HG2 VAL 2 3HG2 VAL 2 4.356 -10.401 -15.604 19 H ASP 3 H ASP 3 3.547 -6.248 -16.491 20 HA ASP 3 HA ASP 3 3.015 -4.051 -16.517 21 1HB ASP 3 1HB ASP 3 0.823 -5.245 -14.878 22 2HB ASP 3 2HB ASP 3 0.923 -3.461 -14.991 23 H PHE 4 H PHE 4 2.363 -4.853 -13.090 24 HA PHE 4 HA PHE 4 3.276 -4.216 -11.073 25 1HB PHE 4 1HB PHE 4 5.466 -4.143 -12.844 26 2HB PHE 4 2HB PHE 4 5.572 -2.707 -11.827 27 HD1 PHE 4 HD1 PHE 4 5.474 -6.402 -11.771 28 HD2 PHE 4 HD2 PHE 4 6.094 -2.875 -9.474 29 HE1 PHE 4 HE1 PHE 4 6.395 -7.759 -9.972 30 HE2 PHE 4 HE2 PHE 4 7.027 -4.182 -7.631 31 HZ PHE 4 HZ PHE 4 7.202 -6.637 -7.854 32 H ASN 5 H ASN 5 3.185 -1.599 -13.531 33 HA ASN 5 HA ASN 5 3.750 0.678 -12.202 34 1HB ASN 5 1HB ASN 5 1.505 1.599 -13.268 35 2HB ASN 5 2HB ASN 5 2.968 1.148 -14.208 36 1HD2 ASN 5 1HD2 ASN 5 -0.312 0.127 -13.294 37 2HD2 ASN 5 2HD2 ASN 5 -0.435 -1.097 -14.545 38 H GLY 6 H GLY 6 3.432 1.450 -10.238 39 1HA GLY 6 1HA GLY 6 0.779 2.052 -9.387 40 2HA GLY 6 2HA GLY 6 1.261 0.617 -8.549 41 H TYR 7 H TYR 7 0.553 2.790 -7.184 42 HA TYR 7 HA TYR 7 3.005 4.276 -6.274 43 1HB TYR 7 1HB TYR 7 0.074 4.286 -5.355 44 2HB TYR 7 2HB TYR 7 1.338 5.395 -4.763 45 HD1 TYR 7 HD1 TYR 7 2.149 5.336 -8.093 46 HD2 TYR 7 HD2 TYR 7 -1.159 6.499 -5.597 47 HE1 TYR 7 HE1 TYR 7 1.383 6.931 -9.837 48 HE2 TYR 7 HE2 TYR 7 -1.921 8.043 -7.251 49 HH TYR 7 HH TYR 7 -1.023 7.927 -10.403 50 H TRP 8 H TRP 8 3.900 3.703 -4.248 51 HA TRP 8 HA TRP 8 2.470 1.509 -2.824 52 1HB TRP 8 1HB TRP 8 5.473 1.591 -3.425 53 2HB TRP 8 2HB TRP 8 4.543 0.385 -2.532 54 HD1 TRP 8 HD1 TRP 8 4.957 1.669 -6.276 55 HE1 TRP 8 HE1 TRP 8 4.128 -0.164 -7.820 56 HE3 TRP 8 HE3 TRP 8 3.096 -1.597 -2.746 57 HZ2 TRP 8 HZ2 TRP 8 2.828 -2.703 -7.628 58 HZ3 TRP 8 HZ3 TRP 8 2.079 -3.709 -3.524 59 HH2 TRP 8 HH2 TRP 8 1.945 -4.272 -5.896 60 H LYS 9 H LYS 9 1.794 3.134 -1.367 61 HA LYS 9 HA LYS 9 3.497 4.972 -0.034 62 1HB LYS 9 1HB LYS 9 1.536 5.452 1.245 63 2HB LYS 9 2HB LYS 9 0.888 4.693 -0.209 64 1HG LYS 9 1HG LYS 9 -0.239 3.346 1.123 65 2HG LYS 9 2HG LYS 9 1.255 2.449 1.373 66 1HD LYS 9 1HD LYS 9 0.960 2.848 3.547 67 2HD LYS 9 2HD LYS 9 1.673 4.440 3.155 68 1HE LYS 9 1HE LYS 9 -1.366 4.080 2.792 69 2HE LYS 9 2HE LYS 9 -0.720 4.178 4.439 70 1HZ LYS 9 1HZ LYS 9 -0.988 6.407 4.008 71 2HZ LYS 9 2HZ LYS 9 -0.863 6.204 2.362 72 3HZ LYS 9 3HZ LYS 9 0.546 6.252 3.329 73 H MET 10 H MET 10 4.533 4.712 2.126 74 HA MET 10 HA MET 10 5.288 1.896 2.521 75 1HB MET 10 1HB MET 10 6.911 3.601 1.995 76 2HB MET 10 2HB MET 10 6.615 4.341 3.605 77 1HG MET 10 1HG MET 10 7.455 2.314 4.692 78 2HG MET 10 2HG MET 10 7.222 1.379 3.199 79 1HE MET 10 1HE MET 10 10.274 2.398 1.059 80 2HE MET 10 2HE MET 10 8.494 2.402 0.969 81 3HE MET 10 3HE MET 10 9.381 0.940 1.543 82 H LEU 11 H LEU 11 5.392 0.939 4.466 83 HA LEU 11 HA LEU 11 3.557 2.073 6.547 84 1HB LEU 11 1HB LEU 11 4.259 -0.635 5.494 85 2HB LEU 11 2HB LEU 11 4.144 -0.624 7.168 86 HG LEU 11 HG LEU 11 1.825 0.439 6.981 87 1HD1 LEU 11 1HD1 LEU 11 2.191 1.072 4.516 88 2HD1 LEU 11 2HD1 LEU 11 0.666 0.250 4.846 89 3HD1 LEU 11 3HD1 LEU 11 2.032 -0.663 4.148 90 1HD2 LEU 11 1HD2 LEU 11 2.156 -1.997 7.564 91 2HD2 LEU 11 2HD2 LEU 11 2.583 -2.370 5.867 92 3HD2 LEU 11 3HD2 LEU 11 0.916 -2.004 6.277 93 H SER 12 H SER 12 6.250 -0.204 6.276 94 HA SER 12 HA SER 12 7.896 1.404 8.145 95 1HB SER 12 1HB SER 12 7.330 0.505 10.030 96 2HB SER 12 2HB SER 12 6.281 -0.675 9.162 97 HG SER 12 HG SER 12 7.776 -1.916 9.992 98 H ASN 13 H ASN 13 9.924 0.815 8.541 99 HA ASN 13 HA ASN 13 11.144 -1.094 6.602 100 1HB ASN 13 1HB ASN 13 13.231 0.580 7.208 101 2HB ASN 13 2HB ASN 13 12.059 0.887 5.912 102 1HD2 ASN 13 1HD2 ASN 13 13.175 1.930 9.161 103 2HD2 ASN 13 2HD2 ASN 13 12.240 3.363 9.197 104 H GLU 14 H GLU 14 13.336 -1.932 7.450 105 HA GLU 14 HA GLU 14 13.358 -2.325 10.446 106 1HB GLU 14 1HB GLU 14 12.213 -4.077 8.757 107 2HB GLU 14 2HB GLU 14 13.878 -4.669 8.848 108 1HG GLU 14 1HG GLU 14 13.019 -3.970 11.533 109 2HG GLU 14 2HG GLU 14 11.780 -4.985 10.799 110 H ASN 15 H ASN 15 15.469 -2.415 11.230 111 HA ASN 15 HA ASN 15 17.802 -2.501 11.296 112 1HB ASN 15 1HB ASN 15 17.795 -4.550 10.826 113 2HB ASN 15 2HB ASN 15 16.986 -4.397 9.217 114 1HD2 ASN 15 1HD2 ASN 15 18.270 -3.730 7.386 115 2HD2 ASN 15 2HD2 ASN 15 19.965 -4.059 7.352 116 H PHE 16 H PHE 16 16.319 -0.375 9.453 117 HA PHE 16 HA PHE 16 17.814 0.414 7.269 118 1HB PHE 16 1HB PHE 16 15.677 1.421 8.519 119 2HB PHE 16 2HB PHE 16 16.887 2.602 9.033 120 HD1 PHE 16 HD1 PHE 16 14.575 1.955 6.527 121 HD2 PHE 16 HD2 PHE 16 18.660 3.269 7.036 122 HE1 PHE 16 HE1 PHE 16 14.526 3.057 4.327 123 HE2 PHE 16 HE2 PHE 16 18.564 4.361 4.832 124 HZ PHE 16 HZ PHE 16 16.539 4.280 3.447 125 H GLU 17 H GLU 17 18.365 1.564 10.683 126 HA GLU 17 HA GLU 17 20.484 3.329 10.111 127 1HB GLU 17 1HB GLU 17 19.639 1.942 12.623 128 2HB GLU 17 2HB GLU 17 21.107 2.901 12.521 129 1HG GLU 17 1HG GLU 17 19.850 4.903 11.920 130 2HG GLU 17 2HG GLU 17 18.404 3.947 11.592 131 H GLU 18 H GLU 18 20.419 -0.115 10.721 132 HA GLU 18 HA GLU 18 23.297 -0.330 11.173 133 1HB GLU 18 1HB GLU 18 22.104 -1.835 12.360 134 2HB GLU 18 2HB GLU 18 21.034 -2.339 10.994 135 1HG GLU 18 1HG GLU 18 22.494 -4.109 11.194 136 2HG GLU 18 2HG GLU 18 23.231 -3.259 9.905 137 H TYR 19 H TYR 19 21.071 -0.530 8.475 138 HA TYR 19 HA TYR 19 22.751 -1.937 6.630 139 1HB TYR 19 1HB TYR 19 20.445 -1.916 6.139 140 2HB TYR 19 2HB TYR 19 20.259 -0.205 6.432 141 HD1 TYR 19 HD1 TYR 19 22.843 -1.884 4.162 142 HD2 TYR 19 HD2 TYR 19 19.263 0.534 4.381 143 HE1 TYR 19 HE1 TYR 19 22.971 -1.480 1.738 144 HE2 TYR 19 HE2 TYR 19 19.417 0.916 1.991 145 HH TYR 19 HH TYR 19 21.712 -0.758 -0.032 146 H LEU 20 H LEU 20 22.144 1.594 7.008 147 HA LEU 20 HA LEU 20 24.025 2.434 5.014 148 1HB LEU 20 1HB LEU 20 23.123 4.060 7.374 149 2HB LEU 20 2HB LEU 20 23.913 4.634 6.009 150 HG LEU 20 HG LEU 20 21.052 3.727 6.334 151 1HD1 LEU 20 1HD1 LEU 20 21.989 6.074 4.676 152 2HD1 LEU 20 2HD1 LEU 20 22.058 6.177 6.446 153 3HD1 LEU 20 3HD1 LEU 20 20.502 5.950 5.641 154 1HD2 LEU 20 1HD2 LEU 20 22.206 2.603 4.211 155 2HD2 LEU 20 2HD2 LEU 20 22.176 4.237 3.485 156 3HD2 LEU 20 3HD2 LEU 20 20.681 3.407 3.907 157 H ARG 21 H ARG 21 24.426 1.418 8.265 158 HA ARG 21 HA ARG 21 26.864 2.805 8.960 159 1HB ARG 21 1HB ARG 21 25.459 1.961 10.621 160 2HB ARG 21 2HB ARG 21 25.466 0.319 10.009 161 1HG ARG 21 1HG ARG 21 28.137 1.598 10.771 162 2HG ARG 21 2HG ARG 21 27.063 1.146 12.097 163 1HD ARG 21 1HD ARG 21 26.988 -1.174 10.559 164 2HD ARG 21 2HD ARG 21 28.593 -0.518 10.166 165 HE ARG 21 HE ARG 21 28.036 -0.503 13.001 166 1HH1 ARG 21 1HH1 ARG 21 29.176 -2.602 10.352 167 2HH1 ARG 21 2HH1 ARG 21 30.052 -3.634 11.425 168 1HH2 ARG 21 1HH2 ARG 21 29.255 -1.981 14.362 169 2HH2 ARG 21 2HH2 ARG 21 30.100 -3.316 13.573 170 H ALA 22 H ALA 22 26.021 -0.163 7.311 171 HA ALA 22 HA ALA 22 28.518 -1.578 7.321 172 1HB ALA 22 1HB ALA 22 26.517 -1.736 5.070 173 2HB ALA 22 2HB ALA 22 26.184 -2.433 6.702 174 3HB ALA 22 3HB ALA 22 27.548 -3.020 5.711 175 H LEU 23 H LEU 23 27.100 0.611 4.896 176 HA LEU 23 HA LEU 23 29.638 0.514 3.344 177 1HB LEU 23 1HB LEU 23 27.747 2.417 2.311 178 2HB LEU 23 2HB LEU 23 28.487 1.044 1.607 179 HG LEU 23 HG LEU 23 26.550 -0.167 3.168 180 1HD1 LEU 23 1HD1 LEU 23 24.532 1.145 3.142 181 2HD1 LEU 23 2HD1 LEU 23 25.208 2.399 2.087 182 3HD1 LEU 23 3HD1 LEU 23 25.817 2.241 3.740 183 1HD2 LEU 23 1HD2 LEU 23 26.814 0.605 0.313 184 2HD2 LEU 23 2HD2 LEU 23 25.140 0.181 0.764 185 3HD2 LEU 23 3HD2 LEU 23 26.494 -0.964 1.043 186 H ASP 24 H ASP 24 28.175 2.190 5.844 187 HA ASP 24 HA ASP 24 28.631 4.123 7.036 188 1HB ASP 24 1HB ASP 24 30.859 2.899 6.880 189 2HB ASP 24 2HB ASP 24 31.381 4.319 5.914 190 H VAL 25 H VAL 25 27.056 4.841 5.126 191 HA VAL 25 HA VAL 25 28.170 6.745 3.244 192 HB VAL 25 HB VAL 25 25.969 7.329 2.723 193 1HG1 VAL 25 1HG1 VAL 25 26.858 5.142 1.868 194 2HG1 VAL 25 2HG1 VAL 25 25.118 5.021 2.134 195 3HG1 VAL 25 3HG1 VAL 25 26.195 4.276 3.292 196 1HG2 VAL 25 1HG2 VAL 25 24.452 7.426 4.471 197 2HG2 VAL 25 2HG2 VAL 25 25.367 6.232 5.410 198 3HG2 VAL 25 3HG2 VAL 25 24.200 5.686 4.163 199 H ASN 26 H ASN 26 26.444 9.046 3.576 200 HA ASN 26 HA ASN 26 27.880 10.538 5.566 201 1HB ASN 26 1HB ASN 26 25.387 11.522 4.424 202 2HB ASN 26 2HB ASN 26 26.790 12.351 5.067 203 1HD2 ASN 26 1HD2 ASN 26 25.402 12.225 2.163 204 2HD2 ASN 26 2HD2 ASN 26 26.772 11.943 1.149 205 H VAL 27 H VAL 27 27.439 11.189 7.588 206 HA VAL 27 HA VAL 27 25.840 9.719 9.405 207 HB VAL 27 HB VAL 27 27.599 10.631 10.339 208 1HG1 VAL 27 1HG1 VAL 27 26.956 13.033 8.633 209 2HG1 VAL 27 2HG1 VAL 27 28.534 12.454 9.205 210 3HG1 VAL 27 3HG1 VAL 27 27.545 13.459 10.251 211 1HG2 VAL 27 1HG2 VAL 27 25.505 12.645 11.255 212 2HG2 VAL 27 2HG2 VAL 27 26.650 11.703 12.229 213 3HG2 VAL 27 3HG2 VAL 27 25.256 10.889 11.485 214 H ALA 28 H ALA 28 25.201 12.804 7.800 215 HA ALA 28 HA ALA 28 22.878 13.534 9.315 216 1HB ALA 28 1HB ALA 28 22.748 15.376 8.144 217 2HB ALA 28 2HB ALA 28 23.175 14.592 6.561 218 3HB ALA 28 3HB ALA 28 24.430 14.922 7.793 219 H LEU 29 H LEU 29 23.408 11.253 6.662 220 HA LEU 29 HA LEU 29 20.615 11.377 5.751 221 1HB LEU 29 1HB LEU 29 22.839 10.556 4.490 222 2HB LEU 29 2HB LEU 29 22.394 9.023 5.160 223 HG LEU 29 HG LEU 29 19.960 10.099 4.135 224 1HD1 LEU 29 1HD1 LEU 29 21.595 11.782 2.927 225 2HD1 LEU 29 2HD1 LEU 29 20.330 10.942 2.012 226 3HD1 LEU 29 3HD1 LEU 29 22.019 10.395 1.914 227 1HD2 LEU 29 1HD2 LEU 29 21.844 7.865 3.617 228 2HD2 LEU 29 2HD2 LEU 29 21.084 8.385 2.106 229 3HD2 LEU 29 3HD2 LEU 29 20.096 7.892 3.512 230 H ARG 30 H ARG 30 22.573 9.189 7.788 231 HA ARG 30 HA ARG 30 20.653 7.128 8.289 232 1HB ARG 30 1HB ARG 30 23.044 6.950 8.733 233 2HB ARG 30 2HB ARG 30 22.962 8.300 9.876 234 1HG ARG 30 1HG ARG 30 21.118 6.567 11.018 235 2HG ARG 30 2HG ARG 30 22.384 5.498 10.370 236 1HD ARG 30 1HD ARG 30 22.843 7.772 12.336 237 2HD ARG 30 2HD ARG 30 22.938 6.082 12.622 238 HE ARG 30 HE ARG 30 24.693 6.914 10.449 239 1HH1 ARG 30 1HH1 ARG 30 24.354 6.762 13.910 240 2HH1 ARG 30 2HH1 ARG 30 26.052 6.775 14.262 241 1HH2 ARG 30 1HH2 ARG 30 27.007 6.930 10.828 242 2HH2 ARG 30 2HH2 ARG 30 27.567 6.879 12.451 243 H LYS 31 H LYS 31 21.171 10.223 9.818 244 HA LYS 31 HA LYS 31 19.489 9.693 12.096 245 1HB LYS 31 1HB LYS 31 21.350 11.559 11.587 246 2HB LYS 31 2HB LYS 31 19.908 12.517 11.222 247 1HG LYS 31 1HG LYS 31 18.987 11.760 13.510 248 2HG LYS 31 2HG LYS 31 20.643 11.231 13.869 249 1HD LYS 31 1HD LYS 31 20.768 13.309 14.675 250 2HD LYS 31 2HD LYS 31 21.302 13.618 13.007 251 1HE LYS 31 1HE LYS 31 18.733 14.079 12.466 252 2HE LYS 31 2HE LYS 31 18.570 14.302 14.230 253 1HZ LYS 31 1HZ LYS 31 20.134 16.025 14.174 254 2HZ LYS 31 2HZ LYS 31 19.083 16.321 12.871 255 3HZ LYS 31 3HZ LYS 31 20.641 15.723 12.607 256 H ILE 32 H ILE 32 19.110 11.599 9.021 257 HA ILE 32 HA ILE 32 16.379 12.409 9.602 258 HB ILE 32 HB ILE 32 18.121 12.389 7.120 259 1HG1 ILE 32 1HG1 ILE 32 19.078 14.039 8.515 260 2HG1 ILE 32 2HG1 ILE 32 17.992 14.972 7.528 261 1HG2 ILE 32 1HG2 ILE 32 16.303 13.999 6.194 262 2HG2 ILE 32 2HG2 ILE 32 15.307 13.587 7.604 263 3HG2 ILE 32 3HG2 ILE 32 15.756 12.321 6.440 264 1HD1 ILE 32 1HD1 ILE 32 17.767 14.114 10.414 265 2HD1 ILE 32 2HD1 ILE 32 16.274 14.396 9.536 266 3HD1 ILE 32 3HD1 ILE 32 17.468 15.734 9.720 267 H ALA 33 H ALA 33 17.971 9.830 7.602 268 HA ALA 33 HA ALA 33 15.666 8.993 6.185 269 1HB ALA 33 1HB ALA 33 17.903 8.386 5.509 270 2HB ALA 33 2HB ALA 33 16.832 6.942 5.723 271 3HB ALA 33 3HB ALA 33 18.006 7.336 6.976 272 H ASN 34 H ASN 34 16.595 8.244 9.608 273 HA ASN 34 HA ASN 34 15.129 5.777 9.732 274 1HB ASN 34 1HB ASN 34 16.826 6.392 11.327 275 2HB ASN 34 2HB ASN 34 15.750 7.704 11.919 276 1HD2 ASN 34 1HD2 ASN 34 13.874 7.141 13.166 277 2HD2 ASN 34 2HD2 ASN 34 13.615 5.522 13.768 278 H LEU 35 H LEU 35 14.278 9.051 10.809 279 HA LEU 35 HA LEU 35 11.497 8.297 11.216 280 1HB LEU 35 1HB LEU 35 11.057 10.561 11.870 281 2HB LEU 35 2HB LEU 35 12.459 9.862 12.729 282 HG LEU 35 HG LEU 35 13.863 11.065 10.858 283 1HD1 LEU 35 1HD1 LEU 35 12.542 12.137 9.339 284 2HD1 LEU 35 2HD1 LEU 35 12.233 13.365 10.575 285 3HD1 LEU 35 3HD1 LEU 35 11.087 12.063 10.332 286 1HD2 LEU 35 1HD2 LEU 35 14.316 12.625 12.517 287 2HD2 LEU 35 2HD2 LEU 35 13.264 11.614 13.523 288 3HD2 LEU 35 3HD2 LEU 35 12.630 13.082 12.737 289 H LEU 36 H LEU 36 13.168 8.868 8.410 290 HA LEU 36 HA LEU 36 10.965 10.334 6.985 291 1HB LEU 36 1HB LEU 36 13.108 11.325 6.679 292 2HB LEU 36 2HB LEU 36 13.911 9.858 6.477 293 HG LEU 36 HG LEU 36 12.562 9.467 4.319 294 1HD1 LEU 36 1HD1 LEU 36 11.332 11.332 3.425 295 2HD1 LEU 36 2HD1 LEU 36 12.311 12.527 4.338 296 3HD1 LEU 36 3HD1 LEU 36 11.106 11.566 5.150 297 1HD2 LEU 36 1HD2 LEU 36 14.564 11.807 4.418 298 2HD2 LEU 36 2HD2 LEU 36 14.229 10.782 3.025 299 3HD2 LEU 36 3HD2 LEU 36 15.050 10.080 4.427 300 H LYS 37 H LYS 37 9.589 9.022 5.710 301 HA LYS 37 HA LYS 37 10.653 6.276 5.024 302 1HB LYS 37 1HB LYS 37 7.792 6.638 4.842 303 2HB LYS 37 2HB LYS 37 8.724 5.429 5.737 304 1HG LYS 37 1HG LYS 37 8.945 7.162 7.650 305 2HG LYS 37 2HG LYS 37 7.859 8.199 6.707 306 1HD LYS 37 1HD LYS 37 6.779 6.836 8.500 307 2HD LYS 37 2HD LYS 37 6.045 6.742 6.878 308 1HE LYS 37 1HE LYS 37 6.351 4.424 8.089 309 2HE LYS 37 2HE LYS 37 7.007 4.545 6.442 310 1HZ LYS 37 1HZ LYS 37 9.017 4.147 7.211 311 2HZ LYS 37 2HZ LYS 37 8.300 3.754 8.690 312 3HZ LYS 37 3HZ LYS 37 8.948 5.287 8.448 313 HA PRO 38 HA PRO 38 10.337 8.349 1.022 314 1HB PRO 38 1HB PRO 38 11.964 5.864 0.327 315 2HB PRO 38 2HB PRO 38 12.255 7.610 -0.053 316 1HG PRO 38 1HG PRO 38 13.716 6.413 1.767 317 2HG PRO 38 2HG PRO 38 13.074 8.020 2.190 318 1HD PRO 38 1HD PRO 38 11.849 5.286 2.937 319 2HD PRO 38 2HD PRO 38 12.244 6.699 3.991 320 H ASP 39 H ASP 39 8.397 8.093 0.134 321 HA ASP 39 HA ASP 39 7.056 5.534 -0.176 322 1HB ASP 39 1HB ASP 39 5.377 6.747 -1.467 323 2HB ASP 39 2HB ASP 39 5.757 7.559 0.042 324 H LYS 40 H LYS 40 6.210 4.882 -2.454 325 HA LYS 40 HA LYS 40 8.342 5.401 -4.484 326 1HB LYS 40 1HB LYS 40 7.509 2.781 -3.230 327 2HB LYS 40 2HB LYS 40 7.714 2.762 -4.957 328 1HG LYS 40 1HG LYS 40 9.981 4.163 -4.149 329 2HG LYS 40 2HG LYS 40 9.758 2.982 -2.825 330 1HD LYS 40 1HD LYS 40 9.566 2.059 -5.666 331 2HD LYS 40 2HD LYS 40 11.180 2.391 -5.049 332 1HE LYS 40 1HE LYS 40 10.728 0.773 -3.132 333 2HE LYS 40 2HE LYS 40 9.164 0.372 -3.848 334 1HZ LYS 40 1HZ LYS 40 10.923 -1.181 -4.305 335 2HZ LYS 40 2HZ LYS 40 11.768 -0.044 -5.222 336 3HZ LYS 40 3HZ LYS 40 10.245 -0.521 -5.734 337 H GLU 41 H GLU 41 7.763 5.033 -6.633 338 HA GLU 41 HA GLU 41 4.911 4.483 -7.216 339 1HB GLU 41 1HB GLU 41 4.748 6.880 -7.293 340 2HB GLU 41 2HB GLU 41 6.449 7.083 -7.749 341 1HG GLU 41 1HG GLU 41 6.025 6.239 -10.025 342 2HG GLU 41 2HG GLU 41 4.330 5.934 -9.658 343 H ILE 42 H ILE 42 5.096 2.809 -8.596 344 HA ILE 42 HA ILE 42 7.655 2.576 -10.174 345 HB ILE 42 HB ILE 42 5.398 0.559 -9.703 346 1HG1 ILE 42 1HG1 ILE 42 8.234 0.542 -8.585 347 2HG1 ILE 42 2HG1 ILE 42 6.921 1.259 -7.712 348 1HG2 ILE 42 1HG2 ILE 42 7.103 -1.044 -10.654 349 2HG2 ILE 42 2HG2 ILE 42 8.159 0.333 -11.087 350 3HG2 ILE 42 3HG2 ILE 42 6.568 0.099 -11.855 351 1HD1 ILE 42 1HD1 ILE 42 5.716 -1.162 -8.068 352 2HD1 ILE 42 2HD1 ILE 42 6.869 -0.844 -6.771 353 3HD1 ILE 42 3HD1 ILE 42 7.431 -1.641 -8.250 354 H VAL 43 H VAL 43 7.564 2.394 -12.384 355 HA VAL 43 HA VAL 43 4.919 2.581 -13.796 356 HB VAL 43 HB VAL 43 7.143 4.489 -14.594 357 1HG1 VAL 43 1HG1 VAL 43 4.370 5.511 -14.849 358 2HG1 VAL 43 2HG1 VAL 43 4.498 3.938 -15.630 359 3HG1 VAL 43 3HG1 VAL 43 5.542 5.272 -16.131 360 1HG2 VAL 43 1HG2 VAL 43 6.364 6.258 -13.191 361 2HG2 VAL 43 2HG2 VAL 43 6.463 4.888 -12.082 362 3HG2 VAL 43 3HG2 VAL 43 4.878 5.381 -12.743 363 H GLN 44 H GLN 44 4.971 1.325 -15.510 364 HA GLN 44 HA GLN 44 7.632 0.673 -16.768 365 1HB GLN 44 1HB GLN 44 6.654 -1.094 -15.106 366 2HB GLN 44 2HB GLN 44 5.448 -1.356 -16.337 367 1HG GLN 44 1HG GLN 44 7.442 -1.686 -18.005 368 2HG GLN 44 2HG GLN 44 8.481 -1.746 -16.580 369 1HE2 GLN 44 1HE2 GLN 44 5.914 -3.466 -18.311 370 2HE2 GLN 44 2HE2 GLN 44 6.134 -5.011 -17.484 371 H ASP 45 H ASP 45 7.523 0.094 -18.886 372 HA ASP 45 HA ASP 45 4.968 0.292 -20.331 373 1HB ASP 45 1HB ASP 45 5.275 2.546 -20.630 374 2HB ASP 45 2HB ASP 45 7.019 2.428 -20.240 375 H GLY 46 H GLY 46 5.152 -1.685 -21.129 376 1HA GLY 46 1HA GLY 46 5.760 -3.212 -22.761 377 2HA GLY 46 2HA GLY 46 7.248 -2.228 -23.119 378 H ASP 47 H ASP 47 9.123 -3.069 -22.526 379 HA ASP 47 HA ASP 47 9.138 -5.025 -20.224 380 1HB ASP 47 1HB ASP 47 11.347 -5.274 -22.068 381 2HB ASP 47 2HB ASP 47 10.382 -6.485 -21.217 382 H HIS 48 H HIS 48 9.606 -1.918 -20.612 383 HA HIS 48 HA HIS 48 12.387 -1.745 -19.560 384 1HB HIS 48 1HB HIS 48 12.093 -0.302 -21.497 385 2HB HIS 48 2HB HIS 48 10.524 0.305 -20.865 386 HD1 HIS 48 HD1 HIS 48 11.034 2.767 -20.537 387 HD2 HIS 48 HD2 HIS 48 13.940 0.203 -18.843 388 HE1 HIS 48 HE1 HIS 48 12.610 4.229 -19.185 389 HE2 HIS 48 HE2 HIS 48 14.370 2.655 -18.164 390 H MET 49 H MET 49 12.453 -1.397 -17.313 391 HA MET 49 HA MET 49 9.946 -0.469 -16.061 392 1HB MET 49 1HB MET 49 11.187 -2.696 -15.698 393 2HB MET 49 2HB MET 49 12.069 -1.748 -14.500 394 1HG MET 49 1HG MET 49 9.874 -1.136 -13.395 395 2HG MET 49 2HG MET 49 9.006 -2.050 -14.626 396 1HE MET 49 1HE MET 49 7.920 -3.106 -12.469 397 2HE MET 49 2HE MET 49 9.087 -2.645 -11.157 398 3HE MET 49 3HE MET 49 8.695 -4.365 -11.460 399 H ILE 50 H ILE 50 9.911 1.361 -14.832 400 HA ILE 50 HA ILE 50 12.567 2.707 -14.256 401 HB ILE 50 HB ILE 50 9.739 3.855 -14.679 402 1HG1 ILE 50 1HG1 ILE 50 11.923 4.763 -16.524 403 2HG1 ILE 50 2HG1 ILE 50 11.346 3.121 -16.720 404 1HG2 ILE 50 1HG2 ILE 50 10.684 5.563 -13.371 405 2HG2 ILE 50 2HG2 ILE 50 11.597 6.000 -14.849 406 3HG2 ILE 50 3HG2 ILE 50 12.328 4.949 -13.599 407 1HD1 ILE 50 1HD1 ILE 50 9.454 5.549 -16.623 408 2HD1 ILE 50 2HD1 ILE 50 8.997 3.891 -16.936 409 3HD1 ILE 50 3HD1 ILE 50 10.075 4.753 -18.094 410 H ILE 51 H ILE 51 12.899 1.980 -12.240 411 HA ILE 51 HA ILE 51 10.709 2.039 -10.225 412 HB ILE 51 HB ILE 51 13.577 1.069 -10.304 413 1HG1 ILE 51 1HG1 ILE 51 12.316 -1.048 -9.420 414 2HG1 ILE 51 2HG1 ILE 51 10.864 -0.196 -9.758 415 1HG2 ILE 51 1HG2 ILE 51 13.012 2.279 -8.065 416 2HG2 ILE 51 2HG2 ILE 51 13.526 0.563 -7.950 417 3HG2 ILE 51 3HG2 ILE 51 11.819 0.996 -7.775 418 1HD1 ILE 51 1HD1 ILE 51 11.150 -0.272 -12.155 419 2HD1 ILE 51 2HD1 ILE 51 11.916 -1.789 -11.697 420 3HD1 ILE 51 3HD1 ILE 51 12.898 -0.352 -12.076 421 H ARG 52 H ARG 52 10.496 3.679 -8.891 422 HA ARG 52 HA ARG 52 12.662 5.732 -8.696 423 1HB ARG 52 1HB ARG 52 9.703 6.371 -8.822 424 2HB ARG 52 2HB ARG 52 11.044 7.494 -8.778 425 1HG ARG 52 1HG ARG 52 11.735 6.118 -11.091 426 2HG ARG 52 2HG ARG 52 10.008 5.899 -11.122 427 1HD ARG 52 1HD ARG 52 11.266 8.611 -10.662 428 2HD ARG 52 2HD ARG 52 10.967 8.012 -12.302 429 HE ARG 52 HE ARG 52 8.546 7.736 -10.931 430 1HH1 ARG 52 1HH1 ARG 52 10.631 10.535 -11.772 431 2HH1 ARG 52 2HH1 ARG 52 9.273 11.621 -11.795 432 1HH2 ARG 52 1HH2 ARG 52 6.828 9.261 -10.976 433 2HH2 ARG 52 2HH2 ARG 52 7.232 10.902 -11.380 434 H THR 53 H THR 53 13.121 6.495 -6.742 435 HA THR 53 HA THR 53 11.366 5.638 -4.469 436 HB THR 53 HB THR 53 14.408 6.033 -4.525 437 HG1 THR 53 HG1 THR 53 13.812 4.057 -5.231 438 1HG2 THR 53 1HG2 THR 53 14.321 6.296 -2.225 439 2HG2 THR 53 2HG2 THR 53 13.242 4.924 -2.046 440 3HG2 THR 53 3HG2 THR 53 12.555 6.542 -2.350 441 H LEU 54 H LEU 54 10.109 7.392 -4.382 442 HA LEU 54 HA LEU 54 11.288 10.101 -4.635 443 1HB LEU 54 1HB LEU 54 8.524 9.135 -4.902 444 2HB LEU 54 2HB LEU 54 8.957 10.841 -4.733 445 HG LEU 54 HG LEU 54 10.411 9.088 -6.775 446 1HD1 LEU 54 1HD1 LEU 54 7.622 9.073 -6.695 447 2HD1 LEU 54 2HD1 LEU 54 8.663 8.760 -8.130 448 3HD1 LEU 54 3HD1 LEU 54 8.005 10.377 -7.850 449 1HD2 LEU 54 1HD2 LEU 54 11.312 11.238 -6.893 450 2HD2 LEU 54 2HD2 LEU 54 9.813 11.997 -6.377 451 3HD2 LEU 54 3HD2 LEU 54 9.985 11.418 -8.074 452 H SER 55 H SER 55 11.437 11.574 -3.222 453 HA SER 55 HA SER 55 9.820 11.825 -0.804 454 1HB SER 55 1HB SER 55 12.538 12.097 0.045 455 2HB SER 55 2HB SER 55 11.375 10.856 0.609 456 HG SER 55 HG SER 55 13.559 10.530 -0.752 457 H THR 56 H THR 56 10.216 14.127 0.059 458 HA THR 56 HA THR 56 11.168 15.877 -2.143 459 HB THR 56 HB THR 56 9.117 16.544 -1.109 460 HG1 THR 56 HG1 THR 56 11.427 18.084 -0.770 461 1HG2 THR 56 1HG2 THR 56 9.307 15.637 1.166 462 2HG2 THR 56 2HG2 THR 56 9.364 17.413 1.385 463 3HG2 THR 56 3HG2 THR 56 10.853 16.424 1.427 464 H PHE 57 H PHE 57 12.533 14.106 0.354 465 HA PHE 57 HA PHE 57 14.816 16.025 0.679 466 1HB PHE 57 1HB PHE 57 13.250 15.448 2.792 467 2HB PHE 57 2HB PHE 57 13.990 13.874 2.741 468 HD1 PHE 57 HD1 PHE 57 14.014 16.485 4.718 469 HD2 PHE 57 HD2 PHE 57 16.861 14.625 2.098 470 HE1 PHE 57 HE1 PHE 57 15.815 17.380 6.075 471 HE2 PHE 57 HE2 PHE 57 18.740 15.556 3.502 472 HZ PHE 57 HZ PHE 57 18.259 16.908 5.455 473 H ARG 58 H ARG 58 16.163 15.193 -0.789 474 HA ARG 58 HA ARG 58 17.698 13.797 -1.788 475 1HB ARG 58 1HB ARG 58 18.765 13.205 0.007 476 2HB ARG 58 2HB ARG 58 17.335 12.677 0.902 477 1HG ARG 58 1HG ARG 58 18.112 10.871 -1.340 478 2HG ARG 58 2HG ARG 58 19.252 11.011 0.012 479 1HD ARG 58 1HD ARG 58 17.248 10.694 1.559 480 2HD ARG 58 2HD ARG 58 16.278 10.405 0.112 481 HE ARG 58 HE ARG 58 18.603 8.636 0.864 482 1HH1 ARG 58 1HH1 ARG 58 15.192 8.913 -0.352 483 2HH1 ARG 58 2HH1 ARG 58 15.159 7.205 -0.543 484 1HH2 ARG 58 1HH2 ARG 58 18.338 6.456 0.553 485 2HH2 ARG 58 2HH2 ARG 58 16.828 5.848 -0.050 486 H ASN 59 H ASN 59 17.427 12.634 -3.511 487 HA ASN 59 HA ASN 59 15.448 10.391 -3.582 488 1HB ASN 59 1HB ASN 59 15.140 11.770 -6.061 489 2HB ASN 59 2HB ASN 59 13.954 11.459 -4.784 490 1HD2 ASN 59 1HD2 ASN 59 12.792 13.366 -4.632 491 2HD2 ASN 59 2HD2 ASN 59 13.551 14.921 -4.382 492 H TYR 60 H TYR 60 15.731 9.002 -5.426 493 HA TYR 60 HA TYR 60 17.907 9.560 -7.282 494 1HB TYR 60 1HB TYR 60 19.254 7.694 -6.845 495 2HB TYR 60 2HB TYR 60 18.986 8.507 -5.219 496 HD1 TYR 60 HD1 TYR 60 17.567 7.464 -3.494 497 HD2 TYR 60 HD2 TYR 60 18.262 5.501 -7.244 498 HE1 TYR 60 HE1 TYR 60 16.665 5.363 -2.591 499 HE2 TYR 60 HE2 TYR 60 17.364 3.363 -6.347 500 HH TYR 60 HH TYR 60 15.676 3.363 -3.352 501 H ILE 61 H ILE 61 17.561 8.477 -9.143 502 HA ILE 61 HA ILE 61 15.220 6.640 -9.318 503 HB ILE 61 HB ILE 61 15.989 8.721 -11.388 504 1HG1 ILE 61 1HG1 ILE 61 13.766 9.862 -10.651 505 2HG1 ILE 61 2HG1 ILE 61 13.800 8.956 -9.215 506 1HG2 ILE 61 1HG2 ILE 61 13.356 8.060 -11.904 507 2HG2 ILE 61 2HG2 ILE 61 13.822 6.593 -11.062 508 3HG2 ILE 61 3HG2 ILE 61 14.670 7.103 -12.540 509 1HD1 ILE 61 1HD1 ILE 61 16.432 10.232 -9.511 510 2HD1 ILE 61 2HD1 ILE 61 15.189 10.608 -8.278 511 3HD1 ILE 61 3HD1 ILE 61 15.211 11.448 -9.833 512 H MET 62 H MET 62 15.503 4.980 -10.676 513 HA MET 62 HA MET 62 18.067 4.621 -12.220 514 1HB MET 62 1HB MET 62 17.320 2.149 -11.932 515 2HB MET 62 2HB MET 62 18.160 2.988 -10.624 516 1HG MET 62 1HG MET 62 15.955 3.350 -9.458 517 2HG MET 62 2HG MET 62 15.132 2.688 -10.865 518 1HE MET 62 1HE MET 62 18.405 0.953 -8.506 519 2HE MET 62 2HE MET 62 17.017 0.822 -7.355 520 3HE MET 62 3HE MET 62 17.443 2.394 -8.091 521 H ASP 63 H ASP 63 17.464 2.804 -13.858 522 HA ASP 63 HA ASP 63 14.835 2.901 -15.181 523 1HB ASP 63 1HB ASP 63 16.828 3.376 -17.163 524 2HB ASP 63 2HB ASP 63 15.449 4.451 -16.734 525 H PHE 64 H PHE 64 14.798 0.629 -15.003 526 HA PHE 64 HA PHE 64 17.250 -0.750 -15.895 527 1HB PHE 64 1HB PHE 64 15.198 -1.259 -13.796 528 2HB PHE 64 2HB PHE 64 15.790 -2.707 -14.655 529 HD1 PHE 64 HD1 PHE 64 18.706 -1.734 -15.173 530 HD2 PHE 64 HD2 PHE 64 16.183 -1.599 -11.628 531 HE1 PHE 64 HE1 PHE 64 20.663 -1.730 -13.750 532 HE2 PHE 64 HE2 PHE 64 18.182 -1.610 -10.265 533 HZ PHE 64 HZ PHE 64 20.489 -1.678 -11.311 534 H GLN 65 H GLN 65 17.034 -2.841 -16.866 535 HA GLN 65 HA GLN 65 14.559 -3.065 -18.582 536 1HB GLN 65 1HB GLN 65 17.448 -3.846 -19.060 537 2HB GLN 65 2HB GLN 65 16.119 -4.378 -20.101 538 1HG GLN 65 1HG GLN 65 16.180 -1.402 -19.673 539 2HG GLN 65 2HG GLN 65 17.634 -2.036 -20.432 540 1HE2 GLN 65 1HE2 GLN 65 17.507 -1.774 -22.629 541 2HE2 GLN 65 2HE2 GLN 65 16.107 -2.050 -23.619 542 H VAL 66 H VAL 66 13.802 -5.104 -18.978 543 HA VAL 66 HA VAL 66 14.335 -7.094 -16.784 544 HB VAL 66 HB VAL 66 12.010 -6.603 -18.643 545 1HG1 VAL 66 1HG1 VAL 66 11.114 -8.697 -17.266 546 2HG1 VAL 66 2HG1 VAL 66 12.785 -9.195 -17.229 547 3HG1 VAL 66 3HG1 VAL 66 11.960 -8.988 -18.811 548 1HG2 VAL 66 1HG2 VAL 66 12.203 -7.076 -15.624 549 2HG2 VAL 66 2HG2 VAL 66 10.808 -6.395 -16.535 550 3HG2 VAL 66 3HG2 VAL 66 12.306 -5.476 -16.376 551 H GLY 67 H GLY 67 15.689 -8.570 -17.133 552 1HA GLY 67 1HA GLY 67 16.612 -10.523 -18.081 553 2HA GLY 67 2HA GLY 67 15.560 -10.331 -19.444 554 H LYS 68 H LYS 68 17.545 -7.648 -18.436 555 HA LYS 68 HA LYS 68 19.533 -8.172 -20.618 556 1HB LYS 68 1HB LYS 68 17.718 -5.894 -20.494 557 2HB LYS 68 2HB LYS 68 19.427 -5.499 -20.579 558 1HG LYS 68 1HG LYS 68 18.932 -7.679 -22.453 559 2HG LYS 68 2HG LYS 68 17.749 -6.371 -22.714 560 1HD LYS 68 1HD LYS 68 19.850 -5.982 -24.051 561 2HD LYS 68 2HD LYS 68 19.514 -4.696 -22.908 562 1HE LYS 68 1HE LYS 68 21.303 -5.407 -21.473 563 2HE LYS 68 2HE LYS 68 21.341 -7.034 -22.212 564 1HZ LYS 68 1HZ LYS 68 22.525 -4.501 -23.199 565 2HZ LYS 68 2HZ LYS 68 22.030 -5.619 -24.340 566 3HZ LYS 68 3HZ LYS 68 23.129 -6.086 -23.165 567 H GLU 69 H GLU 69 21.655 -7.451 -20.162 568 HA GLU 69 HA GLU 69 22.390 -7.191 -17.411 569 1HB GLU 69 1HB GLU 69 23.805 -8.080 -19.363 570 2HB GLU 69 2HB GLU 69 23.984 -6.422 -19.918 571 1HG GLU 69 1HG GLU 69 25.216 -5.726 -17.971 572 2HG GLU 69 2HG GLU 69 24.859 -7.205 -17.086 573 H PHE 70 H PHE 70 23.686 -5.144 -16.625 574 HA PHE 70 HA PHE 70 23.051 -2.675 -18.082 575 1HB PHE 70 1HB PHE 70 20.997 -3.552 -16.581 576 2HB PHE 70 2HB PHE 70 21.918 -2.818 -15.288 577 HD1 PHE 70 HD1 PHE 70 21.686 -0.403 -14.964 578 HD2 PHE 70 HD2 PHE 70 20.574 -2.184 -18.733 579 HE1 PHE 70 HE1 PHE 70 20.760 1.731 -15.736 580 HE2 PHE 70 HE2 PHE 70 19.653 -0.056 -19.511 581 HZ PHE 70 HZ PHE 70 19.746 1.939 -17.993 582 H GLU 71 H GLU 71 24.480 -1.225 -17.744 583 HA GLU 71 HA GLU 71 26.519 -1.577 -15.615 584 1HB GLU 71 1HB GLU 71 27.010 -1.315 -18.067 585 2HB GLU 71 2HB GLU 71 26.509 0.415 -17.839 586 1HG GLU 71 1HG GLU 71 28.262 0.680 -16.089 587 2HG GLU 71 2HG GLU 71 28.670 -0.990 -16.129 588 H GLU 72 H GLU 72 24.609 -0.918 -14.191 589 HA GLU 72 HA GLU 72 23.428 1.641 -14.022 590 1HB GLU 72 1HB GLU 72 22.839 -0.426 -12.855 591 2HB GLU 72 2HB GLU 72 24.222 -0.164 -11.768 592 1HG GLU 72 1HG GLU 72 23.151 2.228 -11.425 593 2HG GLU 72 2HG GLU 72 21.721 1.591 -12.198 594 H ASP 73 H ASP 73 24.257 3.634 -13.609 595 HA ASP 73 HA ASP 73 26.840 3.826 -12.056 596 1HB ASP 73 1HB ASP 73 26.344 6.325 -13.179 597 2HB ASP 73 2HB ASP 73 27.577 5.135 -13.570 598 H LEU 74 H LEU 74 26.218 4.045 -9.956 599 HA LEU 74 HA LEU 74 23.813 5.486 -9.134 600 1HB LEU 74 1HB LEU 74 25.974 3.963 -7.814 601 2HB LEU 74 2HB LEU 74 24.888 4.937 -6.863 602 HG LEU 74 HG LEU 74 23.890 2.969 -8.939 603 1HD1 LEU 74 1HD1 LEU 74 23.827 1.164 -7.458 604 2HD1 LEU 74 2HD1 LEU 74 24.006 2.174 -6.001 605 3HD1 LEU 74 3HD1 LEU 74 25.375 1.906 -7.108 606 1HD2 LEU 74 1HD2 LEU 74 21.866 2.949 -7.197 607 2HD2 LEU 74 2HD2 LEU 74 22.073 4.359 -8.209 608 3HD2 LEU 74 3HD2 LEU 74 22.657 4.403 -6.509 609 H THR 75 H THR 75 23.622 7.399 -8.296 610 HA THR 75 HA THR 75 26.021 9.183 -7.944 611 HB THR 75 HB THR 75 24.649 11.051 -8.468 612 HG1 THR 75 HG1 THR 75 22.645 10.428 -7.945 613 1HG2 THR 75 1HG2 THR 75 25.778 9.961 -10.478 614 2HG2 THR 75 2HG2 THR 75 24.213 10.590 -11.031 615 3HG2 THR 75 3HG2 THR 75 24.360 8.885 -10.686 616 H GLY 76 H GLY 76 26.259 9.102 -5.728 617 1HA GLY 76 1HA GLY 76 25.649 10.051 -3.677 618 2HA GLY 76 2HA GLY 76 23.908 9.838 -4.096 619 H ILE 77 H ILE 77 24.014 8.886 -1.882 620 HA ILE 77 HA ILE 77 24.061 7.096 -0.348 621 HB ILE 77 HB ILE 77 22.095 6.922 -1.751 622 1HG1 ILE 77 1HG1 ILE 77 23.421 4.664 -0.275 623 2HG1 ILE 77 2HG1 ILE 77 21.927 5.423 0.065 624 1HG2 ILE 77 1HG2 ILE 77 21.836 5.165 -3.477 625 2HG2 ILE 77 2HG2 ILE 77 23.514 4.687 -3.365 626 3HG2 ILE 77 3HG2 ILE 77 23.087 6.304 -3.987 627 1HD1 ILE 77 1HD1 ILE 77 22.474 3.251 -2.051 628 2HD1 ILE 77 2HD1 ILE 77 20.943 4.176 -2.017 629 3HD1 ILE 77 3HD1 ILE 77 21.407 3.159 -0.637 630 H ASP 78 H ASP 78 26.584 7.465 -1.052 631 HA ASP 78 HA ASP 78 28.548 6.310 -0.710 632 1HB ASP 78 1HB ASP 78 26.998 4.394 0.018 633 2HB ASP 78 2HB ASP 78 27.359 3.682 -1.557 634 H ASP 79 H ASP 79 26.577 5.939 -3.620 635 HA ASP 79 HA ASP 79 27.022 5.763 -5.784 636 1HB ASP 79 1HB ASP 79 28.324 7.349 -6.752 637 2HB ASP 79 2HB ASP 79 27.750 8.006 -5.200 638 H ARG 80 H ARG 80 27.368 3.737 -6.364 639 HA ARG 80 HA ARG 80 30.182 3.007 -6.990 640 1HB ARG 80 1HB ARG 80 29.062 1.968 -4.671 641 2HB ARG 80 2HB ARG 80 28.897 0.672 -5.878 642 1HG ARG 80 1HG ARG 80 31.157 0.416 -6.170 643 2HG ARG 80 2HG ARG 80 31.584 2.035 -5.689 644 1HD ARG 80 1HD ARG 80 30.350 0.701 -3.370 645 2HD ARG 80 2HD ARG 80 31.514 -0.376 -4.147 646 HE ARG 80 HE ARG 80 33.242 1.004 -3.442 647 1HH1 ARG 80 1HH1 ARG 80 30.264 2.937 -3.236 648 2HH1 ARG 80 2HH1 ARG 80 31.078 4.274 -2.448 649 1HH2 ARG 80 1HH2 ARG 80 34.225 2.760 -2.435 650 2HH2 ARG 80 2HH2 ARG 80 33.329 4.158 -2.013 651 H LYS 81 H LYS 81 29.651 3.171 -9.102 652 HA LYS 81 HA LYS 81 27.337 2.018 -10.326 653 1HB LYS 81 1HB LYS 81 28.499 2.218 -12.425 654 2HB LYS 81 2HB LYS 81 28.875 3.653 -11.522 655 1HG LYS 81 1HG LYS 81 31.029 2.428 -10.709 656 2HG LYS 81 2HG LYS 81 30.717 1.266 -12.061 657 1HD LYS 81 1HD LYS 81 30.505 3.558 -13.485 658 2HD LYS 81 2HD LYS 81 31.486 4.176 -12.185 659 1HE LYS 81 1HE LYS 81 33.405 2.999 -12.875 660 2HE LYS 81 2HE LYS 81 32.519 1.573 -13.329 661 1HZ LYS 81 1HZ LYS 81 32.590 2.148 -15.394 662 2HZ LYS 81 2HZ LYS 81 33.461 3.554 -14.991 663 3HZ LYS 81 3HZ LYS 81 31.765 3.609 -15.086 664 H CYS 82 H CYS 82 26.940 0.117 -11.148 665 HA CYS 82 HA CYS 82 28.939 -2.078 -10.664 666 1HB CYS 82 1HB CYS 82 26.209 -1.732 -9.536 667 2HB CYS 82 2HB CYS 82 26.459 -3.312 -10.263 668 HG CYS 82 HG CYS 82 28.985 -3.202 -8.760 669 H MET 83 H MET 83 27.753 -4.170 -11.595 670 HA MET 83 HA MET 83 26.748 -3.474 -14.319 671 1HB MET 83 1HB MET 83 28.402 -5.954 -13.434 672 2HB MET 83 2HB MET 83 27.810 -5.627 -15.056 673 1HG MET 83 1HG MET 83 29.293 -3.685 -15.348 674 2HG MET 83 2HG MET 83 29.817 -3.741 -13.708 675 1HE MET 83 1HE MET 83 32.322 -4.361 -13.577 676 2HE MET 83 2HE MET 83 32.872 -6.018 -13.938 677 3HE MET 83 3HE MET 83 31.558 -5.776 -12.772 678 H THR 84 H THR 84 24.830 -3.436 -12.773 679 HA THR 84 HA THR 84 23.928 -5.854 -11.553 680 HB THR 84 HB THR 84 22.491 -3.326 -12.189 681 HG1 THR 84 HG1 THR 84 22.756 -3.351 -9.799 682 1HG2 THR 84 1HG2 THR 84 20.706 -4.066 -10.865 683 2HG2 THR 84 2HG2 THR 84 21.552 -5.533 -10.267 684 3HG2 THR 84 3HG2 THR 84 20.946 -5.437 -11.922 685 H THR 85 H THR 85 22.600 -7.360 -12.128 686 HA THR 85 HA THR 85 21.259 -7.432 -14.834 687 HB THR 85 HB THR 85 21.706 -10.017 -13.486 688 HG1 THR 85 HG1 THR 85 23.769 -10.128 -13.577 689 1HG2 THR 85 1HG2 THR 85 21.149 -9.016 -16.052 690 2HG2 THR 85 2HG2 THR 85 21.561 -10.684 -15.749 691 3HG2 THR 85 3HG2 THR 85 22.809 -9.498 -16.270 692 H VAL 86 H VAL 86 19.244 -7.210 -14.570 693 HA VAL 86 HA VAL 86 17.921 -8.168 -12.033 694 HB VAL 86 HB VAL 86 17.408 -5.855 -13.961 695 1HG1 VAL 86 1HG1 VAL 86 15.163 -7.395 -12.599 696 2HG1 VAL 86 2HG1 VAL 86 15.338 -7.098 -14.366 697 3HG1 VAL 86 3HG1 VAL 86 14.944 -5.783 -13.228 698 1HG2 VAL 86 1HG2 VAL 86 16.261 -5.801 -11.210 699 2HG2 VAL 86 2HG2 VAL 86 17.316 -4.603 -12.007 700 3HG2 VAL 86 3HG2 VAL 86 18.007 -6.054 -11.209 701 H SER 87 H SER 87 16.122 -9.448 -12.280 702 HA SER 87 HA SER 87 15.306 -10.457 -14.978 703 1HB SER 87 1HB SER 87 17.314 -11.864 -13.781 704 2HB SER 87 2HB SER 87 15.915 -12.473 -12.850 705 HG SER 87 HG SER 87 15.991 -12.479 -15.678 706 H TRP 88 H TRP 88 13.745 -12.468 -14.367 707 HA TRP 88 HA TRP 88 12.071 -11.797 -12.005 708 1HB TRP 88 1HB TRP 88 10.027 -11.666 -13.296 709 2HB TRP 88 2HB TRP 88 11.119 -10.324 -13.746 710 HD1 TRP 88 HD1 TRP 88 12.902 -11.560 -15.997 711 HE1 TRP 88 HE1 TRP 88 11.900 -12.255 -18.270 712 HE3 TRP 88 HE3 TRP 88 8.039 -12.096 -14.577 713 HZ2 TRP 88 HZ2 TRP 88 9.337 -12.954 -19.364 714 HZ3 TRP 88 HZ3 TRP 88 6.385 -12.790 -16.323 715 HH2 TRP 88 HH2 TRP 88 7.015 -13.203 -18.644 716 H ASP 89 H ASP 89 11.591 -13.779 -11.186 717 HA ASP 89 HA ASP 89 11.461 -16.149 -13.060 718 1HB ASP 89 1HB ASP 89 13.205 -15.776 -10.931 719 2HB ASP 89 2HB ASP 89 11.763 -16.293 -10.035 720 H GLY 90 H GLY 90 9.438 -14.604 -13.213 721 1HA GLY 90 1HA GLY 90 7.073 -15.358 -13.059 722 2HA GLY 90 2HA GLY 90 7.373 -15.692 -11.270 723 H ASP 91 H ASP 91 5.700 -14.135 -10.710 724 HA ASP 91 HA ASP 91 5.969 -11.365 -11.688 725 1HB ASP 91 1HB ASP 91 3.899 -12.740 -11.089 726 2HB ASP 91 2HB ASP 91 4.197 -12.166 -9.445 727 H LYS 92 H LYS 92 8.425 -11.744 -10.627 728 HA LYS 92 HA LYS 92 8.319 -10.321 -8.027 729 1HB LYS 92 1HB LYS 92 10.379 -12.471 -8.653 730 2HB LYS 92 2HB LYS 92 10.079 -11.649 -7.122 731 1HG LYS 92 1HG LYS 92 7.655 -12.639 -7.288 732 2HG LYS 92 2HG LYS 92 8.376 -13.773 -8.439 733 1HD LYS 92 1HD LYS 92 9.455 -13.205 -5.607 734 2HD LYS 92 2HD LYS 92 8.364 -14.506 -5.989 735 1HE LYS 92 1HE LYS 92 10.262 -15.180 -7.785 736 2HE LYS 92 2HE LYS 92 11.264 -14.126 -6.761 737 1HZ LYS 92 1HZ LYS 92 9.709 -16.432 -5.780 738 2HZ LYS 92 2HZ LYS 92 10.795 -15.517 -4.874 739 3HZ LYS 92 3HZ LYS 92 11.367 -16.502 -6.122 740 H LEU 93 H LEU 93 10.960 -9.869 -7.679 741 HA LEU 93 HA LEU 93 12.176 -9.075 -10.243 742 1HB LEU 93 1HB LEU 93 10.561 -7.223 -8.862 743 2HB LEU 93 2HB LEU 93 12.145 -6.759 -8.319 744 HG LEU 93 HG LEU 93 12.916 -6.742 -10.780 745 1HD1 LEU 93 1HD1 LEU 93 11.112 -7.929 -11.836 746 2HD1 LEU 93 2HD1 LEU 93 10.872 -6.262 -12.397 747 3HD1 LEU 93 3HD1 LEU 93 9.876 -6.888 -11.067 748 1HD2 LEU 93 1HD2 LEU 93 10.859 -4.653 -9.877 749 2HD2 LEU 93 2HD2 LEU 93 12.153 -4.376 -11.026 750 3HD2 LEU 93 3HD2 LEU 93 12.550 -4.710 -9.335 751 H GLN 94 H GLN 94 13.923 -10.237 -9.816 752 HA GLN 94 HA GLN 94 15.398 -9.824 -7.240 753 1HB GLN 94 1HB GLN 94 16.726 -11.806 -8.634 754 2HB GLN 94 2HB GLN 94 15.637 -12.079 -7.308 755 1HG GLN 94 1HG GLN 94 13.741 -12.149 -9.034 756 2HG GLN 94 2HG GLN 94 14.943 -12.079 -10.286 757 1HE2 GLN 94 1HE2 GLN 94 13.400 -14.088 -7.777 758 2HE2 GLN 94 2HE2 GLN 94 14.150 -15.559 -8.246 759 H CYS 95 H CYS 95 17.338 -9.052 -7.169 760 HA CYS 95 HA CYS 95 18.678 -8.206 -9.724 761 1HB CYS 95 1HB CYS 95 18.695 -6.625 -7.114 762 2HB CYS 95 2HB CYS 95 19.237 -6.101 -8.719 763 HG CYS 95 HG CYS 95 17.216 -5.110 -9.375 764 H VAL 96 H VAL 96 20.940 -8.345 -9.763 765 HA VAL 96 HA VAL 96 22.319 -9.252 -7.228 766 HB VAL 96 HB VAL 96 22.846 -10.574 -9.898 767 1HG1 VAL 96 1HG1 VAL 96 23.695 -11.543 -7.148 768 2HG1 VAL 96 2HG1 VAL 96 24.702 -10.478 -8.113 769 3HG1 VAL 96 3HG1 VAL 96 24.243 -12.070 -8.750 770 1HG2 VAL 96 1HG2 VAL 96 21.031 -11.893 -9.605 771 2HG2 VAL 96 2HG2 VAL 96 20.601 -11.120 -8.081 772 3HG2 VAL 96 3HG2 VAL 96 21.758 -12.490 -8.096 773 H GLN 97 H GLN 97 23.627 -7.574 -6.942 774 HA GLN 97 HA GLN 97 24.829 -6.115 -9.262 775 1HB GLN 97 1HB GLN 97 25.042 -5.335 -6.370 776 2HB GLN 97 2HB GLN 97 25.237 -4.326 -7.794 777 1HG GLN 97 1HG GLN 97 22.583 -5.074 -8.108 778 2HG GLN 97 2HG GLN 97 22.723 -5.328 -6.406 779 1HE2 GLN 97 1HE2 GLN 97 22.356 -3.582 -5.090 780 2HE2 GLN 97 2HE2 GLN 97 22.366 -1.927 -5.612 781 H LYS 98 H LYS 98 26.964 -6.517 -9.735 782 HA LYS 98 HA LYS 98 28.660 -7.952 -7.688 783 1HB LYS 98 1HB LYS 98 30.002 -8.292 -9.959 784 2HB LYS 98 2HB LYS 98 28.892 -9.450 -9.199 785 1HG LYS 98 1HG LYS 98 27.132 -8.889 -10.767 786 2HG LYS 98 2HG LYS 98 28.034 -7.457 -11.318 787 1HD LYS 98 1HD LYS 98 29.667 -8.674 -12.375 788 2HD LYS 98 2HD LYS 98 29.392 -10.147 -11.454 789 1HE LYS 98 1HE LYS 98 27.220 -10.583 -12.683 790 2HE LYS 98 2HE LYS 98 27.431 -9.100 -13.610 791 1HZ LYS 98 1HZ LYS 98 29.470 -11.201 -13.649 792 2HZ LYS 98 2HZ LYS 98 29.242 -9.916 -14.739 793 3HZ LYS 98 3HZ LYS 98 28.147 -11.183 -14.713 794 H GLY 99 H GLY 99 29.337 -5.994 -6.710 795 1HA GLY 99 1HA GLY 99 31.245 -4.418 -8.415 796 2HA GLY 99 2HA GLY 99 30.335 -3.713 -7.038 797 H GLU 100 H GLU 100 31.136 -4.277 -4.863 798 HA GLU 100 HA GLU 100 33.686 -5.793 -4.818 799 1HB GLU 100 1HB GLU 100 34.779 -4.223 -3.469 800 2HB GLU 100 2HB GLU 100 34.308 -3.570 -5.012 801 1HG GLU 100 1HG GLU 100 32.781 -2.013 -4.136 802 2HG GLU 100 2HG GLU 100 32.209 -3.104 -2.919 803 H LYS 101 H LYS 101 30.615 -5.359 -3.377 804 HA LYS 101 HA LYS 101 31.499 -6.230 -0.682 805 1HB LYS 101 1HB LYS 101 29.584 -4.559 -1.578 806 2HB LYS 101 2HB LYS 101 28.629 -6.045 -1.251 807 1HG LYS 101 1HG LYS 101 28.716 -5.774 0.953 808 2HG LYS 101 2HG LYS 101 30.471 -5.644 0.950 809 1HD LYS 101 1HD LYS 101 28.558 -3.360 0.300 810 2HD LYS 101 2HD LYS 101 29.350 -3.552 1.840 811 1HE LYS 101 1HE LYS 101 31.440 -2.868 0.967 812 2HE LYS 101 2HE LYS 101 31.068 -3.445 -0.684 813 1HZ LYS 101 1HZ LYS 101 30.840 -1.157 -0.877 814 2HZ LYS 101 2HZ LYS 101 30.284 -0.977 0.704 815 3HZ LYS 101 3HZ LYS 101 29.242 -1.544 -0.455 816 H GLU 102 H GLU 102 29.697 -7.771 0.307 817 HA GLU 102 HA GLU 102 29.440 -10.236 -1.349 818 1HB GLU 102 1HB GLU 102 29.596 -10.527 1.603 819 2HB GLU 102 2HB GLU 102 30.486 -11.390 0.333 820 1HG GLU 102 1HG GLU 102 32.174 -9.569 0.243 821 2HG GLU 102 2HG GLU 102 31.204 -8.657 1.401 822 H GLY 103 H GLY 103 27.551 -8.113 -0.937 823 1HA GLY 103 1HA GLY 103 25.265 -9.767 -0.068 824 2HA GLY 103 2HA GLY 103 25.558 -8.441 0.980 825 H ARG 104 H ARG 104 26.314 -6.750 -1.599 826 HA ARG 104 HA ARG 104 23.945 -5.298 -1.759 827 1HB ARG 104 1HB ARG 104 26.349 -5.457 -3.351 828 2HB ARG 104 2HB ARG 104 24.921 -4.887 -4.272 829 1HG ARG 104 1HG ARG 104 24.682 -3.354 -2.029 830 2HG ARG 104 2HG ARG 104 26.447 -3.676 -2.019 831 1HD ARG 104 1HD ARG 104 26.763 -2.369 -3.914 832 2HD ARG 104 2HD ARG 104 25.284 -2.985 -4.675 833 HE ARG 104 HE ARG 104 24.308 -1.373 -2.743 834 1HH1 ARG 104 1HH1 ARG 104 26.787 -0.844 -5.246 835 2HH1 ARG 104 2HH1 ARG 104 26.428 0.849 -5.343 836 1HH2 ARG 104 1HH2 ARG 104 23.951 0.781 -2.929 837 2HH2 ARG 104 2HH2 ARG 104 24.810 1.845 -4.018 838 H GLY 105 H GLY 105 22.054 -5.920 -2.331 839 1HA GLY 105 1HA GLY 105 21.187 -6.762 -4.858 840 2HA GLY 105 2HA GLY 105 21.517 -8.259 -3.972 841 H TRP 106 H TRP 106 18.923 -7.091 -4.885 842 HA TRP 106 HA TRP 106 17.545 -7.077 -2.204 843 1HB TRP 106 1HB TRP 106 16.206 -5.473 -4.192 844 2HB TRP 106 2HB TRP 106 16.529 -5.220 -2.488 845 HD1 TRP 106 HD1 TRP 106 19.502 -4.624 -2.213 846 HE1 TRP 106 HE1 TRP 106 20.721 -2.676 -3.369 847 HE3 TRP 106 HE3 TRP 106 16.233 -3.752 -6.134 848 HZ2 TRP 106 HZ2 TRP 106 20.364 -1.051 -5.572 849 HZ3 TRP 106 HZ3 TRP 106 16.783 -1.957 -7.718 850 HH2 TRP 106 HH2 TRP 106 18.903 -0.599 -7.399 851 H THR 107 H THR 107 15.039 -7.002 -2.897 852 HA THR 107 HA THR 107 14.250 -8.676 -5.164 853 HB THR 107 HB THR 107 14.106 -9.852 -2.406 854 HG1 THR 107 HG1 THR 107 15.456 -11.519 -3.616 855 1HG2 THR 107 1HG2 THR 107 13.645 -11.382 -5.069 856 2HG2 THR 107 2HG2 THR 107 12.330 -10.323 -4.481 857 3HG2 THR 107 3HG2 THR 107 12.879 -11.731 -3.539 858 H GLN 108 H GLN 108 12.173 -8.276 -5.543 859 HA GLN 108 HA GLN 108 10.425 -6.875 -3.525 860 1HB GLN 108 1HB GLN 108 11.520 -5.607 -5.594 861 2HB GLN 108 2HB GLN 108 10.531 -6.560 -6.578 862 1HG GLN 108 1HG GLN 108 8.503 -5.600 -5.675 863 2HG GLN 108 2HG GLN 108 9.430 -4.791 -4.361 864 1HE2 GLN 108 1HE2 GLN 108 10.717 -4.913 -7.715 865 2HE2 GLN 108 2HE2 GLN 108 10.518 -3.214 -7.951 866 H TRP 109 H TRP 109 9.066 -8.650 -2.968 867 HA TRP 109 HA TRP 109 7.983 -10.284 -5.228 868 1HB TRP 109 1HB TRP 109 8.530 -11.918 -3.879 869 2HB TRP 109 2HB TRP 109 8.712 -10.874 -2.493 870 HD1 TRP 109 HD1 TRP 109 5.627 -10.017 -1.882 871 HE1 TRP 109 HE1 TRP 109 3.851 -11.680 -1.191 872 HE3 TRP 109 HE3 TRP 109 7.838 -14.269 -3.653 873 HZ2 TRP 109 HZ2 TRP 109 3.400 -14.402 -1.345 874 HZ3 TRP 109 HZ3 TRP 109 6.624 -16.437 -3.350 875 HH2 TRP 109 HH2 TRP 109 4.436 -16.492 -2.206 876 H ILE 110 H ILE 110 5.672 -10.717 -5.095 877 HA ILE 110 HA ILE 110 4.222 -8.337 -3.958 878 HB ILE 110 HB ILE 110 4.496 -9.195 -6.713 879 1HG1 ILE 110 1HG1 ILE 110 3.424 -6.784 -5.254 880 2HG1 ILE 110 2HG1 ILE 110 5.075 -6.994 -5.810 881 1HG2 ILE 110 1HG2 ILE 110 1.690 -8.691 -5.563 882 2HG2 ILE 110 2HG2 ILE 110 2.163 -10.108 -6.569 883 3HG2 ILE 110 3HG2 ILE 110 2.050 -8.535 -7.307 884 1HD1 ILE 110 1HD1 ILE 110 2.775 -5.927 -7.258 885 2HD1 ILE 110 2HD1 ILE 110 3.441 -7.306 -8.121 886 3HD1 ILE 110 3HD1 ILE 110 4.485 -5.890 -7.739 887 H GLU 111 H GLU 111 2.271 -8.586 -3.188 888 HA GLU 111 HA GLU 111 0.824 -11.218 -3.399 889 1HB GLU 111 1HB GLU 111 1.864 -11.453 -1.327 890 2HB GLU 111 2HB GLU 111 1.830 -9.755 -0.920 891 1HG GLU 111 1HG GLU 111 -0.194 -9.996 0.097 892 2HG GLU 111 2HG GLU 111 -0.871 -10.924 -1.281 893 H GLY 112 H GLY 112 -0.563 -10.241 -4.808 894 1HA GLY 112 1HA GLY 112 -2.274 -8.983 -5.588 895 2HA GLY 112 2HA GLY 112 -2.944 -9.225 -3.906 896 H ASP 113 H ASP 113 -2.647 -7.538 -2.425 897 HA ASP 113 HA ASP 113 -2.077 -4.834 -3.634 898 1HB ASP 113 1HB ASP 113 -3.222 -5.275 -0.884 899 2HB ASP 113 2HB ASP 113 -3.350 -3.884 -1.958 900 H GLU 114 H GLU 114 -0.492 -7.075 -1.267 901 HA GLU 114 HA GLU 114 1.021 -4.754 -0.281 902 1HB GLU 114 1HB GLU 114 1.040 -7.656 0.540 903 2HB GLU 114 2HB GLU 114 2.048 -6.402 1.279 904 1HG GLU 114 1HG GLU 114 0.069 -5.263 2.099 905 2HG GLU 114 2HG GLU 114 -1.023 -6.434 1.351 906 H LEU 115 H LEU 115 3.180 -4.620 -0.266 907 HA LEU 115 HA LEU 115 4.656 -6.229 -2.314 908 1HB LEU 115 1HB LEU 115 4.175 -3.562 -2.467 909 2HB LEU 115 2HB LEU 115 5.406 -3.501 -1.235 910 HG LEU 115 HG LEU 115 6.982 -4.707 -2.674 911 1HD1 LEU 115 1HD1 LEU 115 5.436 -4.049 -5.202 912 2HD1 LEU 115 2HD1 LEU 115 4.865 -5.427 -4.244 913 3HD1 LEU 115 3HD1 LEU 115 6.512 -5.433 -4.811 914 1HD2 LEU 115 1HD2 LEU 115 7.621 -2.466 -2.931 915 2HD2 LEU 115 2HD2 LEU 115 5.902 -1.936 -2.962 916 3HD2 LEU 115 3HD2 LEU 115 6.700 -2.450 -4.423 917 H HIS 116 H HIS 116 6.627 -7.160 -1.540 918 HA HIS 116 HA HIS 116 7.456 -6.403 1.223 919 1HB HIS 116 1HB HIS 116 6.941 -9.193 0.149 920 2HB HIS 116 2HB HIS 116 7.891 -8.877 1.619 921 HD1 HIS 116 HD1 HIS 116 4.582 -9.599 0.465 922 HD2 HIS 116 HD2 HIS 116 6.169 -7.376 3.596 923 HE1 HIS 116 HE1 HIS 116 2.709 -9.326 2.135 924 HE2 HIS 116 HE2 HIS 116 3.655 -7.936 4.101 925 H LEU 117 H LEU 117 9.052 -5.186 0.376 926 HA LEU 117 HA LEU 117 11.003 -6.434 -1.448 927 1HB LEU 117 1HB LEU 117 10.194 -4.139 -1.815 928 2HB LEU 117 2HB LEU 117 10.539 -3.692 -0.231 929 HG LEU 117 HG LEU 117 13.074 -4.033 -0.700 930 1HD1 LEU 117 1HD1 LEU 117 13.552 -5.066 -2.615 931 2HD1 LEU 117 2HD1 LEU 117 13.183 -3.553 -3.482 932 3HD1 LEU 117 3HD1 LEU 117 11.959 -4.822 -3.321 933 1HD2 LEU 117 1HD2 LEU 117 11.710 -1.764 -0.739 934 2HD2 LEU 117 2HD2 LEU 117 11.828 -1.855 -2.486 935 3HD2 LEU 117 3HD2 LEU 117 13.312 -1.743 -1.523 936 H GLU 118 H GLU 118 13.183 -6.854 -0.777 937 HA GLU 118 HA GLU 118 13.847 -6.126 2.044 938 1HB GLU 118 1HB GLU 118 14.943 -8.485 2.132 939 2HB GLU 118 2HB GLU 118 13.310 -8.172 2.739 940 1HG GLU 118 1HG GLU 118 13.376 -8.902 -0.169 941 2HG GLU 118 2HG GLU 118 13.981 -10.164 0.847 942 H MET 119 H MET 119 15.544 -4.887 1.706 943 HA MET 119 HA MET 119 17.479 -5.417 -0.510 944 1HB MET 119 1HB MET 119 17.213 -3.285 1.621 945 2HB MET 119 2HB MET 119 18.547 -3.378 0.462 946 1HG MET 119 1HG MET 119 16.418 -3.565 -1.248 947 2HG MET 119 2HG MET 119 15.659 -2.652 0.102 948 1HE MET 119 1HE MET 119 15.243 -0.804 -1.641 949 2HE MET 119 2HE MET 119 16.320 0.646 -1.528 950 3HE MET 119 3HE MET 119 15.618 -0.087 -0.062 951 H ARG 120 H ARG 120 19.709 -5.958 -0.104 952 HA ARG 120 HA ARG 120 20.377 -6.757 2.734 953 1HB ARG 120 1HB ARG 120 19.781 -8.523 0.696 954 2HB ARG 120 2HB ARG 120 21.516 -8.356 0.573 955 1HG ARG 120 1HG ARG 120 21.812 -9.159 2.877 956 2HG ARG 120 2HG ARG 120 20.086 -8.860 3.229 957 1HD ARG 120 1HD ARG 120 19.503 -10.919 2.241 958 2HD ARG 120 2HD ARG 120 20.670 -10.705 0.940 959 HE ARG 120 HE ARG 120 22.236 -11.200 3.160 960 1HH1 ARG 120 1HH1 ARG 120 19.492 -12.832 1.762 961 2HH1 ARG 120 2HH1 ARG 120 19.949 -14.409 2.310 962 1HH2 ARG 120 1HH2 ARG 120 22.917 -13.170 3.891 963 2HH2 ARG 120 2HH2 ARG 120 22.020 -14.615 3.585 964 H ALA 121 H ALA 121 22.570 -6.227 3.277 965 HA ALA 121 HA ALA 121 24.470 -5.511 1.142 966 1HB ALA 121 1HB ALA 121 24.854 -3.339 1.690 967 2HB ALA 121 2HB ALA 121 24.074 -3.444 3.309 968 3HB ALA 121 3HB ALA 121 23.071 -3.443 1.809 969 H GLU 122 H GLU 122 26.486 -6.048 1.796 970 HA GLU 122 HA GLU 122 28.050 -7.193 3.027 971 1HB GLU 122 1HB GLU 122 28.160 -4.722 3.395 972 2HB GLU 122 2HB GLU 122 27.723 -5.103 5.081 973 1HG GLU 122 1HG GLU 122 29.657 -6.540 5.422 974 2HG GLU 122 2HG GLU 122 29.981 -6.585 3.700 975 H GLY 123 H GLY 123 25.601 -8.593 3.642 976 1HA GLY 123 1HA GLY 123 25.329 -10.354 5.180 977 2HA GLY 123 2HA GLY 123 26.343 -9.583 6.350 978 H VAL 124 H VAL 124 24.074 -7.271 5.289 979 HA VAL 124 HA VAL 124 22.298 -7.875 7.695 980 HB VAL 124 HB VAL 124 22.051 -5.629 8.134 981 1HG1 VAL 124 1HG1 VAL 124 24.424 -6.004 8.384 982 2HG1 VAL 124 2HG1 VAL 124 24.261 -4.383 7.707 983 3HG1 VAL 124 3HG1 VAL 124 24.747 -5.732 6.662 984 1HG2 VAL 124 1HG2 VAL 124 22.629 -4.890 5.203 985 2HG2 VAL 124 2HG2 VAL 124 22.151 -3.829 6.509 986 3HG2 VAL 124 3HG2 VAL 124 21.011 -5.049 5.914 987 H THR 125 H THR 125 19.966 -7.241 7.436 988 HA THR 125 HA THR 125 19.119 -7.458 4.567 989 HB THR 125 HB THR 125 17.904 -9.082 6.773 990 HG1 THR 125 HG1 THR 125 18.947 -10.602 5.049 991 1HG2 THR 125 1HG2 THR 125 16.536 -9.973 4.960 992 2HG2 THR 125 2HG2 THR 125 17.536 -9.212 3.727 993 3HG2 THR 125 3HG2 THR 125 16.435 -8.196 4.725 994 H CYS 126 H CYS 126 18.214 -5.375 4.393 995 HA CYS 126 HA CYS 126 16.399 -4.300 6.477 996 1HB CYS 126 1HB CYS 126 17.574 -2.505 5.541 997 2HB CYS 126 2HB CYS 126 17.728 -3.283 3.919 998 HG CYS 126 HG CYS 126 16.415 -1.716 3.035 999 H LYS 127 H LYS 127 14.136 -4.090 6.182 1000 HA LYS 127 HA LYS 127 12.915 -5.237 3.696 1001 1HB LYS 127 1HB LYS 127 11.796 -5.953 6.376 1002 2HB LYS 127 2HB LYS 127 11.557 -6.749 4.820 1003 1HG LYS 127 1HG LYS 127 13.303 -8.144 5.067 1004 2HG LYS 127 2HG LYS 127 14.356 -6.915 5.793 1005 1HD LYS 127 1HD LYS 127 13.794 -7.453 7.895 1006 2HD LYS 127 2HD LYS 127 12.081 -7.665 7.536 1007 1HE LYS 127 1HE LYS 127 12.691 -9.901 6.473 1008 2HE LYS 127 2HE LYS 127 14.379 -9.701 7.058 1009 1HZ LYS 127 1HZ LYS 127 11.990 -9.585 8.851 1010 2HZ LYS 127 2HZ LYS 127 13.589 -9.768 9.294 1011 3HZ LYS 127 3HZ LYS 127 12.825 -11.014 8.506 1012 H GLN 128 H GLN 128 11.582 -3.784 2.916 1013 HA GLN 128 HA GLN 128 10.247 -1.940 4.822 1014 1HB GLN 128 1HB GLN 128 10.778 -1.583 1.875 1015 2HB GLN 128 2HB GLN 128 9.837 -0.478 2.897 1016 1HG GLN 128 1HG GLN 128 11.966 -0.318 4.382 1017 2HG GLN 128 2HG GLN 128 12.797 -1.272 3.183 1018 1HE2 GLN 128 1HE2 GLN 128 11.898 -0.258 0.730 1019 2HE2 GLN 128 2HE2 GLN 128 12.300 1.403 0.585 1020 H VAL 129 H VAL 129 8.101 -2.009 5.011 1021 HA VAL 129 HA VAL 129 6.515 -3.778 3.227 1022 HB VAL 129 HB VAL 129 5.477 -2.311 5.630 1023 1HG1 VAL 129 1HG1 VAL 129 3.770 -3.337 4.322 1024 2HG1 VAL 129 2HG1 VAL 129 3.942 -4.399 5.753 1025 3HG1 VAL 129 3HG1 VAL 129 4.661 -4.866 4.189 1026 1HG2 VAL 129 1HG2 VAL 129 5.976 -4.433 6.994 1027 2HG2 VAL 129 2HG2 VAL 129 7.435 -3.581 6.524 1028 3HG2 VAL 129 3HG2 VAL 129 6.930 -5.049 5.623 1029 H PHE 130 H PHE 130 5.226 -2.990 1.757 1030 HA PHE 130 HA PHE 130 4.368 -0.117 1.770 1031 1HB PHE 130 1HB PHE 130 4.537 -1.781 -0.715 1032 2HB PHE 130 2HB PHE 130 4.335 -0.051 -0.533 1033 HD1 PHE 130 HD1 PHE 130 6.139 1.063 -1.463 1034 HD2 PHE 130 HD2 PHE 130 7.014 -2.417 0.855 1035 HE1 PHE 130 HE1 PHE 130 8.497 1.498 -1.778 1036 HE2 PHE 130 HE2 PHE 130 9.378 -2.002 0.559 1037 HZ PHE 130 HZ PHE 130 10.200 -0.010 -0.776 1038 H LYS 131 H LYS 131 2.311 0.300 0.845 1039 HA LYS 131 HA LYS 131 0.498 -2.099 0.701 1040 1HB LYS 131 1HB LYS 131 0.354 -0.412 2.734 1041 2HB LYS 131 2HB LYS 131 -0.484 0.638 1.579 1042 1HG LYS 131 1HG LYS 131 -2.181 -0.617 2.728 1043 2HG LYS 131 2HG LYS 131 -2.021 -1.291 1.076 1044 1HD LYS 131 1HD LYS 131 -0.783 -3.174 1.787 1045 2HD LYS 131 2HD LYS 131 -0.490 -2.431 3.406 1046 1HE LYS 131 1HE LYS 131 -2.452 -3.301 4.186 1047 2HE LYS 131 2HE LYS 131 -3.407 -2.716 2.795 1048 1HZ LYS 131 1HZ LYS 131 -2.398 -5.285 3.398 1049 2HZ LYS 131 2HZ LYS 131 -1.886 -4.799 1.860 1050 3HZ LYS 131 3HZ LYS 131 -3.551 -4.846 2.268 1051 H LYS 132 H LYS 132 -0.314 -2.119 -1.455 1052 HA LYS 132 HA LYS 132 0.265 0.098 -3.211 1053 1HB LYS 132 1HB LYS 132 -0.162 -2.448 -3.618 1054 2HB LYS 132 2HB LYS 132 -1.833 -1.936 -3.896 1055 1HG LYS 132 1HG LYS 132 0.063 -0.134 -5.294 1056 2HG LYS 132 2HG LYS 132 0.244 -1.869 -5.814 1057 1HD LYS 132 1HD LYS 132 -2.349 -1.821 -5.937 1058 2HD LYS 132 2HD LYS 132 -2.176 -0.097 -5.895 1059 1HE LYS 132 1HE LYS 132 -1.734 -0.177 -8.183 1060 2HE LYS 132 2HE LYS 132 -0.184 -0.973 -7.800 1061 1HZ LYS 132 1HZ LYS 132 -2.173 -2.931 -7.578 1062 2HZ LYS 132 2HZ LYS 132 -0.966 -2.726 -8.746 1063 3HZ LYS 132 3HZ LYS 132 -2.511 -2.011 -8.949 1064 H VAL 133 H VAL 133 -0.702 2.022 -3.225 1065 HA VAL 133 HA VAL 133 -3.667 2.035 -2.599 1066 HB VAL 133 HB VAL 133 -3.519 4.139 -1.668 1067 1HG1 VAL 133 1HG1 VAL 133 -2.102 1.724 -0.465 1068 2HG1 VAL 133 2HG1 VAL 133 -3.692 2.395 -0.167 1069 3HG1 VAL 133 3HG1 VAL 133 -2.255 3.223 0.481 1070 1HG2 VAL 133 1HG2 VAL 133 -0.465 3.762 -1.431 1071 2HG2 VAL 133 2HG2 VAL 133 -1.377 5.267 -1.124 1072 3HG2 VAL 133 3HG2 VAL 133 -1.152 4.669 -2.770 1073 H HIS 134 H HIS 134 -3.054 1.635 -5.159 1074 HA HIS 134 HA HIS 134 -2.655 4.074 -6.664 1075 1HB HIS 134 1HB HIS 134 -2.522 1.519 -7.304 1076 2HB HIS 134 2HB HIS 134 -4.231 1.832 -7.755 1077 HD1 HIS 134 HD1 HIS 134 -3.757 4.851 -8.755 1078 HD2 HIS 134 HD2 HIS 134 -1.557 1.437 -10.001 1079 HE1 HIS 134 HE1 HIS 134 -2.712 5.351 -11.050 1080 HE2 HIS 134 HE2 HIS 134 -1.400 3.318 -11.780 Start of MODEL 10 1 1H PRO 1 1H PRO 1 3.546 -10.938 -19.784 2 2H PRO 1 2H PRO 1 4.789 -10.731 -20.881 3 HA PRO 1 HA PRO 1 5.893 -10.579 -18.826 4 1HB PRO 1 1HB PRO 1 5.812 -7.896 -18.512 5 2HB PRO 1 2HB PRO 1 6.645 -8.609 -19.934 6 1HG PRO 1 1HG PRO 1 4.037 -7.199 -19.814 7 2HG PRO 1 2HG PRO 1 5.185 -7.334 -21.160 8 1HD PRO 1 1HD PRO 1 2.778 -8.890 -20.746 9 2HD PRO 1 2HD PRO 1 4.028 -9.226 -21.968 10 H VAL 2 H VAL 2 5.916 -9.535 -16.639 11 HA VAL 2 HA VAL 2 3.415 -10.205 -15.237 12 HB VAL 2 HB VAL 2 5.749 -10.710 -14.459 13 1HG1 VAL 2 1HG1 VAL 2 5.965 -7.709 -13.905 14 2HG1 VAL 2 2HG1 VAL 2 6.828 -8.638 -15.100 15 3HG1 VAL 2 3HG1 VAL 2 7.143 -8.967 -13.385 16 1HG2 VAL 2 1HG2 VAL 2 4.538 -9.027 -12.219 17 2HG2 VAL 2 2HG2 VAL 2 4.995 -10.728 -12.217 18 3HG2 VAL 2 3HG2 VAL 2 3.482 -10.245 -12.948 19 H ASP 3 H ASP 3 2.270 -8.847 -13.828 20 HA ASP 3 HA ASP 3 2.049 -6.029 -14.805 21 1HB ASP 3 1HB ASP 3 0.037 -5.953 -13.384 22 2HB ASP 3 2HB ASP 3 0.063 -7.076 -14.801 23 H PHE 4 H PHE 4 2.977 -4.373 -13.595 24 HA PHE 4 HA PHE 4 3.492 -4.896 -10.692 25 1HB PHE 4 1HB PHE 4 5.234 -3.959 -12.895 26 2HB PHE 4 2HB PHE 4 5.303 -3.086 -11.346 27 HD1 PHE 4 HD1 PHE 4 4.992 -6.747 -12.348 28 HD2 PHE 4 HD2 PHE 4 6.905 -3.748 -9.926 29 HE1 PHE 4 HE1 PHE 4 6.361 -8.480 -11.309 30 HE2 PHE 4 HE2 PHE 4 8.304 -5.578 -8.861 31 HZ PHE 4 HZ PHE 4 8.009 -7.925 -9.579 32 H ASN 5 H ASN 5 2.933 -2.317 -13.183 33 HA ASN 5 HA ASN 5 3.086 -0.099 -11.565 34 1HB ASN 5 1HB ASN 5 2.666 0.813 -13.451 35 2HB ASN 5 2HB ASN 5 2.042 -0.685 -14.169 36 1HD2 ASN 5 1HD2 ASN 5 -0.292 -0.992 -14.221 37 2HD2 ASN 5 2HD2 ASN 5 -1.399 0.259 -13.794 38 H GLY 6 H GLY 6 1.863 1.028 -10.208 39 1HA GLY 6 1HA GLY 6 -0.974 0.550 -9.826 40 2HA GLY 6 2HA GLY 6 -0.085 -0.150 -8.524 41 H TYR 7 H TYR 7 0.921 1.070 -7.014 42 HA TYR 7 HA TYR 7 1.589 3.726 -6.995 43 1HB TYR 7 1HB TYR 7 -1.352 3.346 -6.652 44 2HB TYR 7 2HB TYR 7 -0.599 4.006 -5.182 45 HD1 TYR 7 HD1 TYR 7 -1.853 6.189 -5.524 46 HD2 TYR 7 HD2 TYR 7 0.995 4.851 -8.473 47 HE1 TYR 7 HE1 TYR 7 -1.774 8.401 -6.527 48 HE2 TYR 7 HE2 TYR 7 1.026 7.101 -9.409 49 HH TYR 7 HH TYR 7 -0.447 9.040 -9.535 50 H TRP 8 H TRP 8 1.536 4.414 -4.427 51 HA TRP 8 HA TRP 8 2.273 1.939 -2.903 52 1HB TRP 8 1HB TRP 8 4.379 3.265 -2.326 53 2HB TRP 8 2HB TRP 8 4.272 2.549 -3.920 54 HD1 TRP 8 HD1 TRP 8 4.251 4.501 -6.008 55 HE1 TRP 8 HE1 TRP 8 4.356 7.079 -6.114 56 HE3 TRP 8 HE3 TRP 8 3.685 5.476 -1.111 57 HZ2 TRP 8 HZ2 TRP 8 4.203 9.243 -4.326 58 HZ3 TRP 8 HZ3 TRP 8 3.668 7.856 -0.331 59 HH2 TRP 8 HH2 TRP 8 3.924 9.695 -1.924 60 H LYS 9 H LYS 9 3.209 2.619 -0.798 61 HA LYS 9 HA LYS 9 3.093 4.922 0.557 62 1HB LYS 9 1HB LYS 9 1.001 4.750 1.932 63 2HB LYS 9 2HB LYS 9 0.769 5.351 0.302 64 1HG LYS 9 1HG LYS 9 0.297 2.784 -0.295 65 2HG LYS 9 2HG LYS 9 -0.030 2.628 1.469 66 1HD LYS 9 1HD LYS 9 -1.456 4.420 -0.571 67 2HD LYS 9 2HD LYS 9 -2.132 3.108 0.446 68 1HE LYS 9 1HE LYS 9 -0.897 5.616 1.702 69 2HE LYS 9 2HE LYS 9 -2.547 5.544 1.115 70 1HZ LYS 9 1HZ LYS 9 -1.758 4.839 3.594 71 2HZ LYS 9 2HZ LYS 9 -1.722 3.336 2.849 72 3HZ LYS 9 3HZ LYS 9 -3.155 4.208 2.856 73 H MET 10 H MET 10 4.746 4.158 1.679 74 HA MET 10 HA MET 10 4.862 1.464 2.633 75 1HB MET 10 1HB MET 10 6.609 2.355 4.244 76 2HB MET 10 2HB MET 10 6.860 2.145 2.531 77 1HG MET 10 1HG MET 10 7.833 4.305 3.295 78 2HG MET 10 2HG MET 10 6.604 4.588 2.095 79 1HE MET 10 1HE MET 10 5.859 7.345 2.864 80 2HE MET 10 2HE MET 10 4.231 6.938 3.526 81 3HE MET 10 3HE MET 10 4.893 6.058 2.155 82 H LEU 11 H LEU 11 4.675 0.559 4.613 83 HA LEU 11 HA LEU 11 2.956 2.032 6.589 84 1HB LEU 11 1HB LEU 11 2.813 -0.610 5.354 85 2HB LEU 11 2HB LEU 11 2.843 -0.814 7.028 86 HG LEU 11 HG LEU 11 0.938 1.225 6.652 87 1HD1 LEU 11 1HD1 LEU 11 1.329 -0.208 4.121 88 2HD1 LEU 11 2HD1 LEU 11 0.203 1.112 4.454 89 3HD1 LEU 11 3HD1 LEU 11 -0.311 -0.539 4.703 90 1HD2 LEU 11 1HD2 LEU 11 0.257 -0.413 8.138 91 2HD2 LEU 11 2HD2 LEU 11 0.960 -1.752 7.260 92 3HD2 LEU 11 3HD2 LEU 11 -0.633 -1.080 6.766 93 H SER 12 H SER 12 6.023 0.731 6.009 94 HA SER 12 HA SER 12 6.948 1.271 8.685 95 1HB SER 12 1HB SER 12 5.850 -0.747 9.278 96 2HB SER 12 2HB SER 12 6.658 -1.607 7.946 97 HG SER 12 HG SER 12 8.010 -1.955 9.525 98 H ASN 13 H ASN 13 9.126 0.618 9.055 99 HA ASN 13 HA ASN 13 10.873 -0.152 6.824 100 1HB ASN 13 1HB ASN 13 10.247 2.375 6.578 101 2HB ASN 13 2HB ASN 13 11.165 2.586 8.086 102 1HD2 ASN 13 1HD2 ASN 13 12.263 4.006 5.980 103 2HD2 ASN 13 2HD2 ASN 13 13.642 3.195 5.337 104 H GLU 14 H GLU 14 12.438 -1.377 8.022 105 HA GLU 14 HA GLU 14 12.989 -0.474 10.818 106 1HB GLU 14 1HB GLU 14 13.548 -3.042 11.039 107 2HB GLU 14 2HB GLU 14 12.006 -2.288 11.379 108 1HG GLU 14 1HG GLU 14 11.264 -2.822 9.007 109 2HG GLU 14 2HG GLU 14 12.821 -3.590 8.725 110 H ASN 15 H ASN 15 15.060 -1.714 11.589 111 HA ASN 15 HA ASN 15 17.333 -1.503 11.562 112 1HB ASN 15 1HB ASN 15 16.821 -3.534 9.383 113 2HB ASN 15 2HB ASN 15 18.355 -3.276 10.278 114 1HD2 ASN 15 1HD2 ASN 15 17.409 -5.761 10.432 115 2HD2 ASN 15 2HD2 ASN 15 16.632 -6.063 11.958 116 H PHE 16 H PHE 16 16.144 0.646 9.946 117 HA PHE 16 HA PHE 16 17.615 0.936 7.475 118 1HB PHE 16 1HB PHE 16 15.446 1.986 8.168 119 2HB PHE 16 2HB PHE 16 16.380 3.190 9.043 120 HD1 PHE 16 HD1 PHE 16 16.625 1.503 5.582 121 HD2 PHE 16 HD2 PHE 16 16.632 5.182 7.780 122 HE1 PHE 16 HE1 PHE 16 16.928 2.734 3.475 123 HE2 PHE 16 HE2 PHE 16 16.933 6.436 5.645 124 HZ PHE 16 HZ PHE 16 17.083 5.232 3.519 125 H GLU 17 H GLU 17 18.267 2.133 10.803 126 HA GLU 17 HA GLU 17 20.612 3.741 10.060 127 1HB GLU 17 1HB GLU 17 19.500 2.711 12.647 128 2HB GLU 17 2HB GLU 17 21.078 3.526 12.510 129 1HG GLU 17 1HG GLU 17 20.130 5.491 11.653 130 2HG GLU 17 2HG GLU 17 18.552 4.741 11.323 131 H GLU 18 H GLU 18 20.159 0.333 11.110 132 HA GLU 18 HA GLU 18 23.004 -0.154 11.444 133 1HB GLU 18 1HB GLU 18 20.516 -1.721 11.587 134 2HB GLU 18 2HB GLU 18 22.048 -2.591 11.161 135 1HG GLU 18 1HG GLU 18 23.139 -1.877 13.143 136 2HG GLU 18 2HG GLU 18 21.828 -0.767 13.549 137 H TYR 19 H TYR 19 20.526 -0.397 8.923 138 HA TYR 19 HA TYR 19 22.087 -1.879 6.991 139 1HB TYR 19 1HB TYR 19 19.736 -1.917 6.963 140 2HB TYR 19 2HB TYR 19 19.641 -0.131 6.909 141 HD1 TYR 19 HD1 TYR 19 21.203 -2.901 4.702 142 HD2 TYR 19 HD2 TYR 19 19.060 0.876 4.882 143 HE1 TYR 19 HE1 TYR 19 21.091 -2.848 2.215 144 HE2 TYR 19 HE2 TYR 19 18.975 0.891 2.417 145 HH TYR 19 HH TYR 19 20.391 -1.586 0.440 146 H LEU 20 H LEU 20 21.830 1.469 7.962 147 HA LEU 20 HA LEU 20 23.091 2.540 5.540 148 1HB LEU 20 1HB LEU 20 22.472 3.917 8.123 149 2HB LEU 20 2HB LEU 20 23.423 4.605 6.939 150 HG LEU 20 HG LEU 20 20.557 3.648 6.504 151 1HD1 LEU 20 1HD1 LEU 20 20.644 5.619 7.938 152 2HD1 LEU 20 2HD1 LEU 20 19.971 6.067 6.347 153 3HD1 LEU 20 3HD1 LEU 20 21.605 6.512 6.779 154 1HD2 LEU 20 1HD2 LEU 20 22.677 4.767 4.625 155 2HD2 LEU 20 2HD2 LEU 20 21.006 5.285 4.336 156 3HD2 LEU 20 3HD2 LEU 20 21.483 3.559 4.237 157 H ARG 21 H ARG 21 24.090 1.332 8.634 158 HA ARG 21 HA ARG 21 26.812 2.453 8.692 159 1HB ARG 21 1HB ARG 21 25.816 2.057 10.805 160 2HB ARG 21 2HB ARG 21 25.196 0.498 10.335 161 1HG ARG 21 1HG ARG 21 27.082 0.338 11.943 162 2HG ARG 21 2HG ARG 21 27.517 -0.465 10.404 163 1HD ARG 21 1HD ARG 21 28.523 1.849 9.699 164 2HD ARG 21 2HD ARG 21 28.353 2.277 11.375 165 HE ARG 21 HE ARG 21 29.765 -0.173 11.345 166 1HH1 ARG 21 1HH1 ARG 21 30.139 3.011 10.062 167 2HH1 ARG 21 2HH1 ARG 21 31.884 2.983 10.036 168 1HH2 ARG 21 1HH2 ARG 21 32.077 -0.292 11.308 169 2HH2 ARG 21 2HH2 ARG 21 33.006 1.085 10.770 170 H ALA 22 H ALA 22 25.208 -0.300 7.242 171 HA ALA 22 HA ALA 22 27.252 -2.241 7.120 172 1HB ALA 22 1HB ALA 22 25.884 -3.270 5.463 173 2HB ALA 22 2HB ALA 22 25.096 -1.699 5.081 174 3HB ALA 22 3HB ALA 22 24.804 -2.521 6.664 175 H LEU 23 H LEU 23 26.335 0.389 4.829 176 HA LEU 23 HA LEU 23 28.526 -0.299 2.962 177 1HB LEU 23 1HB LEU 23 27.124 2.246 2.666 178 2HB LEU 23 2HB LEU 23 27.527 1.048 1.460 179 HG LEU 23 HG LEU 23 25.461 -0.107 3.022 180 1HD1 LEU 23 1HD1 LEU 23 24.564 1.888 3.933 181 2HD1 LEU 23 2HD1 LEU 23 23.721 1.792 2.388 182 3HD1 LEU 23 3HD1 LEU 23 25.102 2.882 2.546 183 1HD2 LEU 23 1HD2 LEU 23 25.649 1.127 0.246 184 2HD2 LEU 23 2HD2 LEU 23 24.180 0.293 0.757 185 3HD2 LEU 23 3HD2 LEU 23 25.681 -0.626 0.665 186 H ASP 24 H ASP 24 27.888 1.661 5.646 187 HA ASP 24 HA ASP 24 29.244 2.942 6.983 188 1HB ASP 24 1HB ASP 24 31.021 1.372 6.061 189 2HB ASP 24 2HB ASP 24 31.562 2.854 5.209 190 H VAL 25 H VAL 25 27.571 4.494 5.990 191 HA VAL 25 HA VAL 25 28.748 6.602 4.204 192 HB VAL 25 HB VAL 25 26.552 7.438 3.963 193 1HG1 VAL 25 1HG1 VAL 25 26.177 4.396 4.042 194 2HG1 VAL 25 2HG1 VAL 25 26.993 5.237 2.709 195 3HG1 VAL 25 3HG1 VAL 25 25.284 5.530 3.042 196 1HG2 VAL 25 1HG2 VAL 25 26.111 5.921 6.494 197 2HG2 VAL 25 2HG2 VAL 25 24.716 5.941 5.379 198 3HG2 VAL 25 3HG2 VAL 25 25.404 7.479 5.946 199 H ASN 26 H ASN 26 27.704 8.834 5.123 200 HA ASN 26 HA ASN 26 29.167 9.477 7.539 201 1HB ASN 26 1HB ASN 26 27.005 11.272 6.899 202 2HB ASN 26 2HB ASN 26 28.705 11.564 7.267 203 1HD2 ASN 26 1HD2 ASN 26 30.237 11.622 5.631 204 2HD2 ASN 26 2HD2 ASN 26 29.879 11.686 3.925 205 H VAL 27 H VAL 27 28.706 9.458 9.579 206 HA VAL 27 HA VAL 27 26.507 8.012 10.708 207 HB VAL 27 HB VAL 27 27.146 9.078 12.893 208 1HG1 VAL 27 1HG1 VAL 27 27.851 6.804 12.126 209 2HG1 VAL 27 2HG1 VAL 27 29.256 7.562 12.938 210 3HG1 VAL 27 3HG1 VAL 27 29.197 7.514 11.198 211 1HG2 VAL 27 1HG2 VAL 27 28.743 10.773 11.168 212 2HG2 VAL 27 2HG2 VAL 27 29.822 9.733 12.138 213 3HG2 VAL 27 3HG2 VAL 27 28.594 10.759 12.945 214 H ALA 28 H ALA 28 26.923 11.500 10.200 215 HA ALA 28 HA ALA 28 24.735 12.375 11.916 216 1HB ALA 28 1HB ALA 28 25.433 14.182 9.815 217 2HB ALA 28 2HB ALA 28 26.919 13.561 10.656 218 3HB ALA 28 3HB ALA 28 25.565 14.350 11.572 219 H LEU 29 H LEU 29 25.232 11.347 8.636 220 HA LEU 29 HA LEU 29 22.789 12.329 7.488 221 1HB LEU 29 1HB LEU 29 24.737 11.880 6.217 222 2HB LEU 29 2HB LEU 29 24.790 10.224 6.656 223 HG LEU 29 HG LEU 29 22.656 9.738 5.509 224 1HD1 LEU 29 1HD1 LEU 29 22.885 12.635 4.390 225 2HD1 LEU 29 2HD1 LEU 29 21.572 11.962 5.422 226 3HD1 LEU 29 3HD1 LEU 29 21.861 11.371 3.766 227 1HD2 LEU 29 1HD2 LEU 29 24.911 11.019 3.848 228 2HD2 LEU 29 2HD2 LEU 29 23.641 9.963 3.200 229 3HD2 LEU 29 3HD2 LEU 29 24.799 9.302 4.336 230 H ARG 30 H ARG 30 23.716 9.563 9.371 231 HA ARG 30 HA ARG 30 21.674 7.717 8.544 232 1HB ARG 30 1HB ARG 30 24.004 7.764 10.174 233 2HB ARG 30 2HB ARG 30 22.694 7.354 11.258 234 1HG ARG 30 1HG ARG 30 21.948 5.553 9.663 235 2HG ARG 30 2HG ARG 30 23.315 5.972 8.624 236 1HD ARG 30 1HD ARG 30 23.868 4.003 9.927 237 2HD ARG 30 2HD ARG 30 24.924 5.363 10.275 238 HE ARG 30 HE ARG 30 22.646 4.540 12.117 239 1HH1 ARG 30 1HH1 ARG 30 26.014 5.870 11.747 240 2HH1 ARG 30 2HH1 ARG 30 26.141 5.928 13.483 241 1HH2 ARG 30 1HH2 ARG 30 23.011 4.741 14.190 242 2HH2 ARG 30 2HH2 ARG 30 24.508 5.311 14.878 243 H LYS 31 H LYS 31 21.803 10.326 11.054 244 HA LYS 31 HA LYS 31 19.516 9.312 12.494 245 1HB LYS 31 1HB LYS 31 21.553 11.046 12.911 246 2HB LYS 31 2HB LYS 31 20.252 12.192 12.657 247 1HG LYS 31 1HG LYS 31 18.814 10.894 14.339 248 2HG LYS 31 2HG LYS 31 20.262 9.939 14.699 249 1HD LYS 31 1HD LYS 31 21.485 12.147 15.231 250 2HD LYS 31 2HD LYS 31 19.905 12.928 15.038 251 1HE LYS 31 1HE LYS 31 20.331 10.615 16.991 252 2HE LYS 31 2HE LYS 31 20.680 12.322 17.471 253 1HZ LYS 31 1HZ LYS 31 18.415 11.548 18.064 254 2HZ LYS 31 2HZ LYS 31 18.027 11.373 16.448 255 3HZ LYS 31 3HZ LYS 31 18.451 12.888 17.066 256 H ILE 32 H ILE 32 19.959 11.756 9.912 257 HA ILE 32 HA ILE 32 17.214 12.675 10.070 258 HB ILE 32 HB ILE 32 18.796 12.999 7.513 259 1HG1 ILE 32 1HG1 ILE 32 20.595 13.377 8.965 260 2HG1 ILE 32 2HG1 ILE 32 19.973 14.951 8.613 261 1HG2 ILE 32 1HG2 ILE 32 17.751 15.285 7.624 262 2HG2 ILE 32 2HG2 ILE 32 17.146 14.937 9.269 263 3HG2 ILE 32 3HG2 ILE 32 16.531 14.052 7.837 264 1HD1 ILE 32 1HD1 ILE 32 20.389 13.789 11.179 265 2HD1 ILE 32 2HD1 ILE 32 18.621 13.949 10.986 266 3HD1 ILE 32 3HD1 ILE 32 19.632 15.388 10.864 267 H ALA 33 H ALA 33 18.876 10.124 8.189 268 HA ALA 33 HA ALA 33 16.774 9.737 6.257 269 1HB ALA 33 1HB ALA 33 18.383 7.365 7.017 270 2HB ALA 33 2HB ALA 33 19.298 8.841 6.627 271 3HB ALA 33 3HB ALA 33 18.128 8.188 5.434 272 H ASN 34 H ASN 34 17.398 8.468 9.578 273 HA ASN 34 HA ASN 34 15.578 6.281 9.456 274 1HB ASN 34 1HB ASN 34 17.190 6.479 11.163 275 2HB ASN 34 2HB ASN 34 16.372 7.912 11.822 276 1HD2 ASN 34 1HD2 ASN 34 16.103 4.361 11.437 277 2HD2 ASN 34 2HD2 ASN 34 14.749 4.132 12.513 278 H LEU 35 H LEU 35 14.928 9.698 9.399 279 HA LEU 35 HA LEU 35 12.237 9.255 10.553 280 1HB LEU 35 1HB LEU 35 13.195 11.864 9.395 281 2HB LEU 35 2HB LEU 35 11.895 11.591 10.544 282 HG LEU 35 HG LEU 35 14.892 11.432 10.901 283 1HD1 LEU 35 1HD1 LEU 35 13.773 12.672 13.170 284 2HD1 LEU 35 2HD1 LEU 35 12.711 13.257 11.866 285 3HD1 LEU 35 3HD1 LEU 35 14.451 13.512 11.749 286 1HD2 LEU 35 1HD2 LEU 35 14.268 10.603 13.346 287 2HD2 LEU 35 2HD2 LEU 35 14.413 9.413 12.073 288 3HD2 LEU 35 3HD2 LEU 35 12.798 9.937 12.562 289 H LEU 36 H LEU 36 13.809 9.430 7.502 290 HA LEU 36 HA LEU 36 11.377 10.083 5.923 291 1HB LEU 36 1HB LEU 36 13.142 11.039 4.794 292 2HB LEU 36 2HB LEU 36 14.295 10.163 5.575 293 HG LEU 36 HG LEU 36 12.873 8.501 3.539 294 1HD1 LEU 36 1HD1 LEU 36 13.829 11.262 2.832 295 2HD1 LEU 36 2HD1 LEU 36 12.474 10.301 2.196 296 3HD1 LEU 36 3HD1 LEU 36 14.111 9.943 1.662 297 1HD2 LEU 36 1HD2 LEU 36 15.000 7.567 3.553 298 2HD2 LEU 36 2HD2 LEU 36 15.493 8.855 4.696 299 3HD2 LEU 36 3HD2 LEU 36 15.692 9.119 2.985 300 H LYS 37 H LYS 37 10.160 8.629 4.916 301 HA LYS 37 HA LYS 37 11.052 5.721 4.909 302 1HB LYS 37 1HB LYS 37 8.188 6.668 5.052 303 2HB LYS 37 2HB LYS 37 8.841 5.083 5.518 304 1HG LYS 37 1HG LYS 37 9.943 6.079 7.486 305 2HG LYS 37 2HG LYS 37 9.301 7.683 7.090 306 1HD LYS 37 1HD LYS 37 7.774 6.739 8.725 307 2HD LYS 37 2HD LYS 37 6.923 6.682 7.188 308 1HE LYS 37 1HE LYS 37 6.540 4.522 7.968 309 2HE LYS 37 2HE LYS 37 7.979 4.222 6.985 310 1HZ LYS 37 1HZ LYS 37 9.349 4.595 9.036 311 2HZ LYS 37 2HZ LYS 37 8.326 3.263 9.229 312 3HZ LYS 37 3HZ LYS 37 7.903 4.713 9.931 313 HA PRO 38 HA PRO 38 10.778 7.054 0.597 314 1HB PRO 38 1HB PRO 38 11.746 4.218 0.251 315 2HB PRO 38 2HB PRO 38 12.347 5.708 -0.476 316 1HG PRO 38 1HG PRO 38 13.776 4.809 1.474 317 2HG PRO 38 2HG PRO 38 13.341 6.517 1.484 318 1HD PRO 38 1HD PRO 38 11.993 4.199 2.950 319 2HD PRO 38 2HD PRO 38 12.601 5.736 3.694 320 H ASP 39 H ASP 39 9.280 6.969 -0.781 321 HA ASP 39 HA ASP 39 7.155 4.910 -0.685 322 1HB ASP 39 1HB ASP 39 6.119 6.594 -2.394 323 2HB ASP 39 2HB ASP 39 6.047 6.915 -0.638 324 H LYS 40 H LYS 40 6.307 4.548 -3.200 325 HA LYS 40 HA LYS 40 8.437 4.910 -5.122 326 1HB LYS 40 1HB LYS 40 9.691 3.182 -4.996 327 2HB LYS 40 2HB LYS 40 8.939 2.775 -3.429 328 1HG LYS 40 1HG LYS 40 7.300 1.318 -4.589 329 2HG LYS 40 2HG LYS 40 8.084 1.628 -6.138 330 1HD LYS 40 1HD LYS 40 9.508 0.522 -3.693 331 2HD LYS 40 2HD LYS 40 8.732 -0.506 -4.915 332 1HE LYS 40 1HE LYS 40 10.747 1.614 -5.902 333 2HE LYS 40 2HE LYS 40 11.371 0.141 -5.173 334 1HZ LYS 40 1HZ LYS 40 9.893 0.496 -7.686 335 2HZ LYS 40 2HZ LYS 40 9.836 -0.992 -6.868 336 3HZ LYS 40 3HZ LYS 40 11.299 -0.361 -7.342 337 H GLU 41 H GLU 41 7.486 5.158 -6.950 338 HA GLU 41 HA GLU 41 4.919 3.722 -7.566 339 1HB GLU 41 1HB GLU 41 4.738 6.204 -7.747 340 2HB GLU 41 2HB GLU 41 6.261 6.206 -8.706 341 1HG GLU 41 1HG GLU 41 4.722 4.631 -10.340 342 2HG GLU 41 2HG GLU 41 3.416 5.430 -9.534 343 H ILE 42 H ILE 42 4.780 2.465 -9.197 344 HA ILE 42 HA ILE 42 7.295 1.917 -10.797 345 HB ILE 42 HB ILE 42 5.081 -0.097 -10.264 346 1HG1 ILE 42 1HG1 ILE 42 7.861 -0.191 -9.073 347 2HG1 ILE 42 2HG1 ILE 42 6.691 0.830 -8.303 348 1HG2 ILE 42 1HG2 ILE 42 7.663 0.032 -11.862 349 2HG2 ILE 42 2HG2 ILE 42 6.162 -0.808 -12.224 350 3HG2 ILE 42 3HG2 ILE 42 7.294 -1.488 -11.034 351 1HD1 ILE 42 1HD1 ILE 42 7.077 -1.928 -7.769 352 2HD1 ILE 42 2HD1 ILE 42 5.745 -1.960 -8.914 353 3HD1 ILE 42 3HD1 ILE 42 5.569 -1.037 -7.396 354 H VAL 43 H VAL 43 6.998 1.454 -13.030 355 HA VAL 43 HA VAL 43 4.278 2.095 -14.106 356 HB VAL 43 HB VAL 43 6.218 3.493 -15.692 357 1HG1 VAL 43 1HG1 VAL 43 3.633 4.341 -14.224 358 2HG1 VAL 43 2HG1 VAL 43 3.764 3.849 -15.905 359 3HG1 VAL 43 3HG1 VAL 43 4.526 5.344 -15.415 360 1HG2 VAL 43 1HG2 VAL 43 6.073 4.256 -12.719 361 2HG2 VAL 43 2HG2 VAL 43 6.354 5.495 -13.933 362 3HG2 VAL 43 3HG2 VAL 43 7.519 4.178 -13.771 363 H GLN 44 H GLN 44 3.898 0.690 -15.645 364 HA GLN 44 HA GLN 44 6.188 -0.495 -17.214 365 1HB GLN 44 1HB GLN 44 3.967 -1.785 -15.670 366 2HB GLN 44 2HB GLN 44 4.573 -2.546 -17.157 367 1HG GLN 44 1HG GLN 44 6.604 -1.773 -15.037 368 2HG GLN 44 2HG GLN 44 5.607 -3.163 -14.720 369 1HE2 GLN 44 1HE2 GLN 44 6.298 -5.092 -15.599 370 2HE2 GLN 44 2HE2 GLN 44 7.473 -5.285 -16.863 371 H ASP 45 H ASP 45 5.872 0.157 -19.220 372 HA ASP 45 HA ASP 45 3.080 0.370 -20.263 373 1HB ASP 45 1HB ASP 45 5.423 1.370 -21.852 374 2HB ASP 45 2HB ASP 45 3.856 2.151 -21.541 375 H GLY 46 H GLY 46 5.877 -1.629 -20.113 376 1HA GLY 46 1HA GLY 46 4.781 -3.686 -21.652 377 2HA GLY 46 2HA GLY 46 5.654 -2.646 -22.836 378 H ASP 47 H ASP 47 7.806 -3.532 -23.164 379 HA ASP 47 HA ASP 47 8.936 -5.164 -20.971 380 1HB ASP 47 1HB ASP 47 10.433 -4.531 -23.500 381 2HB ASP 47 2HB ASP 47 10.612 -5.859 -22.319 382 H HIS 48 H HIS 48 8.772 -1.853 -21.782 383 HA HIS 48 HA HIS 48 11.475 -1.323 -20.682 384 1HB HIS 48 1HB HIS 48 9.908 -0.067 -22.669 385 2HB HIS 48 2HB HIS 48 9.659 0.947 -21.236 386 HD1 HIS 48 HD1 HIS 48 11.098 2.852 -22.433 387 HD2 HIS 48 HD2 HIS 48 13.235 -0.679 -21.713 388 HE1 HIS 48 HE1 HIS 48 13.509 3.442 -22.778 389 HE2 HIS 48 HE2 HIS 48 14.839 1.274 -22.330 390 H MET 49 H MET 49 11.595 -1.153 -18.534 391 HA MET 49 HA MET 49 9.087 -0.348 -17.073 392 1HB MET 49 1HB MET 49 9.932 -2.665 -16.792 393 2HB MET 49 2HB MET 49 11.381 -1.996 -16.064 394 1HG MET 49 1HG MET 49 9.821 -0.750 -14.405 395 2HG MET 49 2HG MET 49 8.561 -1.883 -14.885 396 1HE MET 49 1HE MET 49 12.602 -3.364 -14.513 397 2HE MET 49 2HE MET 49 12.630 -2.603 -12.901 398 3HE MET 49 3HE MET 49 12.232 -1.609 -14.320 399 H ILE 50 H ILE 50 9.112 1.430 -15.934 400 HA ILE 50 HA ILE 50 11.698 2.792 -15.163 401 HB ILE 50 HB ILE 50 8.892 3.995 -15.387 402 1HG1 ILE 50 1HG1 ILE 50 11.011 3.844 -17.569 403 2HG1 ILE 50 2HG1 ILE 50 9.441 3.040 -17.595 404 1HG2 ILE 50 1HG2 ILE 50 11.694 5.332 -15.583 405 2HG2 ILE 50 2HG2 ILE 50 10.732 5.227 -14.127 406 3HG2 ILE 50 3HG2 ILE 50 10.103 6.166 -15.480 407 1HD1 ILE 50 1HD1 ILE 50 10.009 5.980 -17.785 408 2HD1 ILE 50 2HD1 ILE 50 8.442 5.455 -17.208 409 3HD1 ILE 50 3HD1 ILE 50 8.985 5.000 -18.857 410 H ILE 51 H ILE 51 11.827 3.416 -13.058 411 HA ILE 51 HA ILE 51 9.651 2.700 -11.099 412 HB ILE 51 HB ILE 51 12.500 1.725 -11.227 413 1HG1 ILE 51 1HG1 ILE 51 10.305 0.237 -9.901 414 2HG1 ILE 51 2HG1 ILE 51 9.976 0.598 -11.547 415 1HG2 ILE 51 1HG2 ILE 51 12.251 1.324 -8.656 416 2HG2 ILE 51 2HG2 ILE 51 10.823 2.378 -8.691 417 3HG2 ILE 51 3HG2 ILE 51 12.399 3.044 -9.100 418 1HD1 ILE 51 1HD1 ILE 51 11.913 -0.656 -12.387 419 2HD1 ILE 51 2HD1 ILE 51 11.237 -1.647 -11.078 420 3HD1 ILE 51 3HD1 ILE 51 12.655 -0.650 -10.769 421 H ARG 52 H ARG 52 9.147 4.563 -10.290 422 HA ARG 52 HA ARG 52 11.075 6.777 -9.987 423 1HB ARG 52 1HB ARG 52 8.264 6.371 -10.519 424 2HB ARG 52 2HB ARG 52 8.473 7.475 -9.143 425 1HG ARG 52 1HG ARG 52 8.523 8.965 -11.081 426 2HG ARG 52 2HG ARG 52 10.234 8.685 -10.677 427 1HD ARG 52 1HD ARG 52 10.646 7.275 -12.476 428 2HD ARG 52 2HD ARG 52 8.960 6.716 -12.507 429 HE ARG 52 HE ARG 52 8.313 8.752 -13.636 430 1HH1 ARG 52 1HH1 ARG 52 11.870 8.522 -13.228 431 2HH1 ARG 52 2HH1 ARG 52 12.100 9.715 -14.438 432 1HH2 ARG 52 1HH2 ARG 52 8.753 10.293 -15.247 433 2HH2 ARG 52 2HH2 ARG 52 10.382 10.712 -15.582 434 H THR 53 H THR 53 12.263 5.868 -8.306 435 HA THR 53 HA THR 53 10.911 5.432 -5.672 436 HB THR 53 HB THR 53 13.856 5.255 -6.574 437 HG1 THR 53 HG1 THR 53 11.775 3.380 -6.387 438 1HG2 THR 53 1HG2 THR 53 12.762 3.947 -4.030 439 2HG2 THR 53 2HG2 THR 53 12.959 5.681 -3.999 440 3HG2 THR 53 3HG2 THR 53 14.375 4.667 -4.329 441 H LEU 54 H LEU 54 10.419 7.153 -4.668 442 HA LEU 54 HA LEU 54 11.915 9.728 -5.135 443 1HB LEU 54 1HB LEU 54 9.065 9.282 -4.532 444 2HB LEU 54 2HB LEU 54 9.937 10.815 -4.585 445 HG LEU 54 HG LEU 54 9.993 8.832 -6.888 446 1HD1 LEU 54 1HD1 LEU 54 8.073 10.025 -7.906 447 2HD1 LEU 54 2HD1 LEU 54 7.985 11.172 -6.539 448 3HD1 LEU 54 3HD1 LEU 54 7.626 9.435 -6.327 449 1HD2 LEU 54 1HD2 LEU 54 11.712 10.587 -7.040 450 2HD2 LEU 54 2HD2 LEU 54 10.523 11.852 -6.603 451 3HD2 LEU 54 3HD2 LEU 54 10.400 11.028 -8.156 452 H SER 55 H SER 55 13.350 8.828 -3.334 453 HA SER 55 HA SER 55 12.430 8.889 -0.586 454 1HB SER 55 1HB SER 55 15.160 9.174 -2.005 455 2HB SER 55 2HB SER 55 15.094 9.412 -0.264 456 HG SER 55 HG SER 55 14.749 7.320 -0.001 457 H THR 56 H THR 56 11.364 10.893 -0.075 458 HA THR 56 HA THR 56 12.144 13.323 -1.350 459 HB THR 56 HB THR 56 10.042 13.328 -0.410 460 HG1 THR 56 HG1 THR 56 10.257 15.312 0.359 461 1HG2 THR 56 1HG2 THR 56 9.770 11.894 1.429 462 2HG2 THR 56 2HG2 THR 56 10.090 13.355 2.424 463 3HG2 THR 56 3HG2 THR 56 11.379 12.222 2.080 464 H PHE 57 H PHE 57 14.267 13.716 -1.305 465 HA PHE 57 HA PHE 57 15.636 15.217 0.553 466 1HB PHE 57 1HB PHE 57 15.586 12.395 1.378 467 2HB PHE 57 2HB PHE 57 17.219 13.005 1.249 468 HD1 PHE 57 HD1 PHE 57 17.652 12.854 3.611 469 HD2 PHE 57 HD2 PHE 57 14.440 15.299 2.153 470 HE1 PHE 57 HE1 PHE 57 17.474 13.940 5.840 471 HE2 PHE 57 HE2 PHE 57 14.224 16.412 4.374 472 HZ PHE 57 HZ PHE 57 15.795 15.696 6.249 473 H ARG 58 H ARG 58 15.814 12.218 -1.388 474 HA ARG 58 HA ARG 58 17.862 13.383 -3.234 475 1HB ARG 58 1HB ARG 58 18.166 11.280 -1.244 476 2HB ARG 58 2HB ARG 58 18.402 10.635 -2.834 477 1HG ARG 58 1HG ARG 58 20.405 11.639 -3.152 478 2HG ARG 58 2HG ARG 58 19.793 13.195 -2.512 479 1HD ARG 58 1HD ARG 58 19.871 12.005 -0.178 480 2HD ARG 58 2HD ARG 58 20.890 10.817 -0.994 481 HE ARG 58 HE ARG 58 21.838 13.461 -1.528 482 1HH1 ARG 58 1HH1 ARG 58 21.820 10.800 0.819 483 2HH1 ARG 58 2HH1 ARG 58 23.350 11.240 1.540 484 1HH2 ARG 58 1HH2 ARG 58 23.903 14.004 -0.495 485 2HH2 ARG 58 2HH2 ARG 58 24.476 12.979 0.819 486 H ASN 59 H ASN 59 16.568 13.463 -4.985 487 HA ASN 59 HA ASN 59 14.536 11.535 -5.715 488 1HB ASN 59 1HB ASN 59 15.287 12.378 -8.157 489 2HB ASN 59 2HB ASN 59 14.188 13.289 -7.065 490 1HD2 ASN 59 1HD2 ASN 59 14.825 15.189 -6.183 491 2HD2 ASN 59 2HD2 ASN 59 16.265 16.045 -6.662 492 H TYR 60 H TYR 60 14.717 9.613 -6.459 493 HA TYR 60 HA TYR 60 17.286 8.556 -7.545 494 1HB TYR 60 1HB TYR 60 15.680 7.619 -5.445 495 2HB TYR 60 2HB TYR 60 15.198 6.642 -6.910 496 HD1 TYR 60 HD1 TYR 60 18.303 7.930 -5.146 497 HD2 TYR 60 HD2 TYR 60 16.500 4.720 -7.384 498 HE1 TYR 60 HE1 TYR 60 20.336 6.626 -4.916 499 HE2 TYR 60 HE2 TYR 60 18.564 3.398 -7.138 500 HH TYR 60 HH TYR 60 20.486 3.297 -6.069 501 H ILE 61 H ILE 61 17.182 8.143 -9.723 502 HA ILE 61 HA ILE 61 14.448 7.866 -10.946 503 HB ILE 61 HB ILE 61 16.748 9.457 -12.033 504 1HG1 ILE 61 1HG1 ILE 61 14.054 10.707 -11.395 505 2HG1 ILE 61 2HG1 ILE 61 14.992 10.197 -10.032 506 1HG2 ILE 61 1HG2 ILE 61 15.647 9.221 -14.102 507 2HG2 ILE 61 2HG2 ILE 61 14.170 9.891 -13.445 508 3HG2 ILE 61 3HG2 ILE 61 14.485 8.150 -13.342 509 1HD1 ILE 61 1HD1 ILE 61 16.997 11.573 -11.034 510 2HD1 ILE 61 2HD1 ILE 61 15.597 12.493 -10.379 511 3HD1 ILE 61 3HD1 ILE 61 15.834 12.326 -12.114 512 H MET 62 H MET 62 14.241 6.205 -12.177 513 HA MET 62 HA MET 62 16.667 5.062 -13.541 514 1HB MET 62 1HB MET 62 14.464 3.198 -12.489 515 2HB MET 62 2HB MET 62 16.119 2.824 -12.912 516 1HG MET 62 1HG MET 62 16.098 4.713 -10.685 517 2HG MET 62 2HG MET 62 15.058 3.268 -10.386 518 1HE MET 62 1HE MET 62 18.520 4.672 -9.893 519 2HE MET 62 2HE MET 62 18.580 4.569 -11.663 520 3HE MET 62 3HE MET 62 19.639 3.532 -10.702 521 H ASP 63 H ASP 63 16.075 3.613 -15.241 522 HA ASP 63 HA ASP 63 13.472 3.680 -16.486 523 1HB ASP 63 1HB ASP 63 14.702 5.913 -17.162 524 2HB ASP 63 2HB ASP 63 15.991 4.939 -17.863 525 H PHE 64 H PHE 64 13.947 1.601 -15.771 526 HA PHE 64 HA PHE 64 16.196 0.146 -17.033 527 1HB PHE 64 1HB PHE 64 14.171 -0.257 -14.883 528 2HB PHE 64 2HB PHE 64 14.838 -1.707 -15.691 529 HD1 PHE 64 HD1 PHE 64 15.276 -1.737 -12.988 530 HD2 PHE 64 HD2 PHE 64 17.626 0.497 -15.834 531 HE1 PHE 64 HE1 PHE 64 17.204 -1.764 -11.436 532 HE2 PHE 64 HE2 PHE 64 19.480 0.452 -14.296 533 HZ PHE 64 HZ PHE 64 19.320 -0.672 -12.085 534 H GLN 65 H GLN 65 15.612 -2.202 -17.432 535 HA GLN 65 HA GLN 65 13.286 -2.488 -19.307 536 1HB GLN 65 1HB GLN 65 15.690 -2.005 -20.389 537 2HB GLN 65 2HB GLN 65 15.999 -3.689 -19.997 538 1HG GLN 65 1HG GLN 65 14.239 -4.467 -21.368 539 2HG GLN 65 2HG GLN 65 13.453 -2.891 -21.496 540 1HE2 GLN 65 1HE2 GLN 65 13.539 -3.346 -23.791 541 2HE2 GLN 65 2HE2 GLN 65 14.967 -3.050 -24.744 542 H VAL 66 H VAL 66 12.392 -4.533 -19.371 543 HA VAL 66 HA VAL 66 12.821 -6.086 -16.960 544 HB VAL 66 HB VAL 66 10.984 -6.495 -19.310 545 1HG1 VAL 66 1HG1 VAL 66 11.507 -8.030 -16.772 546 2HG1 VAL 66 2HG1 VAL 66 11.018 -8.613 -18.363 547 3HG1 VAL 66 3HG1 VAL 66 9.808 -7.899 -17.243 548 1HG2 VAL 66 1HG2 VAL 66 10.204 -5.513 -16.451 549 2HG2 VAL 66 2HG2 VAL 66 9.326 -5.288 -17.947 550 3HG2 VAL 66 3HG2 VAL 66 10.782 -4.356 -17.688 551 H GLY 67 H GLY 67 14.991 -6.984 -17.366 552 1HA GLY 67 1HA GLY 67 15.803 -9.311 -17.803 553 2HA GLY 67 2HA GLY 67 14.905 -9.315 -19.282 554 H LYS 68 H LYS 68 17.296 -7.048 -17.816 555 HA LYS 68 HA LYS 68 19.149 -7.597 -20.075 556 1HB LYS 68 1HB LYS 68 17.714 -6.149 -21.141 557 2HB LYS 68 2HB LYS 68 17.805 -4.901 -19.896 558 1HG LYS 68 1HG LYS 68 20.351 -4.759 -20.276 559 2HG LYS 68 2HG LYS 68 20.131 -5.849 -21.621 560 1HD LYS 68 1HD LYS 68 18.438 -3.350 -21.449 561 2HD LYS 68 2HD LYS 68 20.078 -3.230 -22.118 562 1HE LYS 68 1HE LYS 68 19.497 -5.207 -23.663 563 2HE LYS 68 2HE LYS 68 17.818 -4.953 -23.203 564 1HZ LYS 68 1HZ LYS 68 18.073 -3.649 -25.137 565 2HZ LYS 68 2HZ LYS 68 19.618 -3.159 -24.747 566 3HZ LYS 68 3HZ LYS 68 18.327 -2.500 -23.912 567 H GLU 69 H GLU 69 21.306 -7.157 -19.484 568 HA GLU 69 HA GLU 69 21.781 -6.336 -16.701 569 1HB GLU 69 1HB GLU 69 23.026 -8.016 -18.259 570 2HB GLU 69 2HB GLU 69 23.919 -6.573 -18.804 571 1HG GLU 69 1HG GLU 69 24.828 -6.167 -16.685 572 2HG GLU 69 2HG GLU 69 23.604 -7.099 -15.862 573 H PHE 70 H PHE 70 21.937 -4.387 -16.030 574 HA PHE 70 HA PHE 70 22.516 -2.116 -17.905 575 1HB PHE 70 1HB PHE 70 20.952 -2.345 -15.342 576 2HB PHE 70 2HB PHE 70 21.708 -0.811 -15.814 577 HD1 PHE 70 HD1 PHE 70 19.332 -3.454 -16.836 578 HD2 PHE 70 HD2 PHE 70 20.718 0.545 -17.570 579 HE1 PHE 70 HE1 PHE 70 17.387 -3.006 -18.293 580 HE2 PHE 70 HE2 PHE 70 18.813 1.002 -19.016 581 HZ PHE 70 HZ PHE 70 17.078 -0.811 -19.403 582 H GLU 71 H GLU 71 23.567 -0.280 -16.526 583 HA GLU 71 HA GLU 71 25.531 -1.325 -14.611 584 1HB GLU 71 1HB GLU 71 26.781 -1.629 -16.598 585 2HB GLU 71 2HB GLU 71 26.242 -0.021 -17.257 586 1HG GLU 71 1HG GLU 71 27.819 1.118 -15.892 587 2HG GLU 71 2HG GLU 71 27.848 -0.100 -14.662 588 H GLU 72 H GLU 72 24.220 -0.023 -13.143 589 HA GLU 72 HA GLU 72 23.912 2.795 -13.695 590 1HB GLU 72 1HB GLU 72 23.769 2.039 -10.883 591 2HB GLU 72 2HB GLU 72 22.674 2.970 -11.908 592 1HG GLU 72 1HG GLU 72 22.232 0.491 -12.991 593 2HG GLU 72 2HG GLU 72 22.676 0.018 -11.381 594 H ASP 73 H ASP 73 25.099 4.500 -12.964 595 HA ASP 73 HA ASP 73 27.668 3.812 -11.536 596 1HB ASP 73 1HB ASP 73 27.148 6.344 -13.180 597 2HB ASP 73 2HB ASP 73 28.693 5.663 -12.541 598 H LEU 74 H LEU 74 26.086 3.825 -9.705 599 HA LEU 74 HA LEU 74 24.724 6.171 -8.776 600 1HB LEU 74 1HB LEU 74 25.125 3.547 -7.987 601 2HB LEU 74 2HB LEU 74 25.611 4.595 -6.621 602 HG LEU 74 HG LEU 74 23.227 3.864 -6.613 603 1HD1 LEU 74 1HD1 LEU 74 24.144 6.736 -6.432 604 2HD1 LEU 74 2HD1 LEU 74 23.601 5.621 -5.161 605 3HD1 LEU 74 3HD1 LEU 74 22.418 6.343 -6.264 606 1HD2 LEU 74 1HD2 LEU 74 22.579 6.023 -8.603 607 2HD2 LEU 74 2HD2 LEU 74 21.663 4.540 -8.242 608 3HD2 LEU 74 3HD2 LEU 74 23.111 4.481 -9.277 609 H THR 75 H THR 75 25.457 7.943 -7.887 610 HA THR 75 HA THR 75 28.116 8.052 -6.503 611 HB THR 75 HB THR 75 28.059 10.504 -7.519 612 HG1 THR 75 HG1 THR 75 26.103 9.635 -8.739 613 1HG2 THR 75 1HG2 THR 75 29.953 8.887 -7.832 614 2HG2 THR 75 2HG2 THR 75 29.659 9.718 -9.344 615 3HG2 THR 75 3HG2 THR 75 29.111 8.043 -9.141 616 H GLY 76 H GLY 76 26.253 7.548 -4.961 617 1HA GLY 76 1HA GLY 76 25.501 10.002 -3.571 618 2HA GLY 76 2HA GLY 76 24.129 9.026 -4.185 619 H ILE 77 H ILE 77 23.990 9.148 -1.677 620 HA ILE 77 HA ILE 77 24.116 8.225 0.387 621 HB ILE 77 HB ILE 77 23.891 5.521 0.001 622 1HG1 ILE 77 1HG1 ILE 77 24.122 5.835 -2.531 623 2HG1 ILE 77 2HG1 ILE 77 22.707 5.003 -2.001 624 1HG2 ILE 77 1HG2 ILE 77 22.357 7.439 1.064 625 2HG2 ILE 77 2HG2 ILE 77 21.534 5.959 0.535 626 3HG2 ILE 77 3HG2 ILE 77 21.493 7.412 -0.463 627 1HD1 ILE 77 1HD1 ILE 77 22.360 7.996 -2.253 628 2HD1 ILE 77 2HD1 ILE 77 21.310 6.645 -2.769 629 3HD1 ILE 77 3HD1 ILE 77 22.714 7.153 -3.753 630 H ASP 78 H ASP 78 25.511 5.209 -0.989 631 HA ASP 78 HA ASP 78 27.825 5.551 0.780 632 1HB ASP 78 1HB ASP 78 27.482 3.488 1.125 633 2HB ASP 78 2HB ASP 78 26.309 3.342 -0.175 634 H ASP 79 H ASP 79 27.081 5.513 -2.579 635 HA ASP 79 HA ASP 79 28.202 6.320 -4.408 636 1HB ASP 79 1HB ASP 79 29.392 7.647 -2.584 637 2HB ASP 79 2HB ASP 79 30.755 6.575 -2.892 638 H ARG 80 H ARG 80 28.482 4.764 -5.878 639 HA ARG 80 HA ARG 80 30.817 3.295 -6.352 640 1HB ARG 80 1HB ARG 80 29.328 2.129 -4.233 641 2HB ARG 80 2HB ARG 80 29.186 1.038 -5.614 642 1HG ARG 80 1HG ARG 80 31.603 0.776 -5.778 643 2HG ARG 80 2HG ARG 80 31.906 2.126 -4.684 644 1HD ARG 80 1HD ARG 80 30.619 0.705 -2.911 645 2HD ARG 80 2HD ARG 80 30.868 -0.652 -4.049 646 HE ARG 80 HE ARG 80 33.323 0.220 -4.007 647 1HH1 ARG 80 1HH1 ARG 80 31.212 -0.124 -1.206 648 2HH1 ARG 80 2HH1 ARG 80 32.483 -0.427 -0.081 649 1HH2 ARG 80 1HH2 ARG 80 35.085 -0.190 -2.429 650 2HH2 ARG 80 2HH2 ARG 80 34.555 -0.433 -0.793 651 H LYS 81 H LYS 81 30.439 1.622 -8.088 652 HA LYS 81 HA LYS 81 27.856 2.179 -9.514 653 1HB LYS 81 1HB LYS 81 29.053 2.064 -11.504 654 2HB LYS 81 2HB LYS 81 30.261 2.757 -10.487 655 1HG LYS 81 1HG LYS 81 31.449 0.675 -10.248 656 2HG LYS 81 2HG LYS 81 30.181 -0.289 -11.010 657 1HD LYS 81 1HD LYS 81 31.971 0.177 -12.677 658 2HD LYS 81 2HD LYS 81 30.469 0.896 -13.171 659 1HE LYS 81 1HE LYS 81 32.313 2.664 -11.576 660 2HE LYS 81 2HE LYS 81 32.752 2.312 -13.270 661 1HZ LYS 81 1HZ LYS 81 31.404 4.338 -13.002 662 2HZ LYS 81 2HZ LYS 81 30.116 3.348 -12.490 663 3HZ LYS 81 3HZ LYS 81 30.741 3.212 -14.061 664 H CYS 82 H CYS 82 27.142 0.408 -10.881 665 HA CYS 82 HA CYS 82 27.797 -2.268 -9.720 666 1HB CYS 82 1HB CYS 82 24.927 -2.275 -10.223 667 2HB CYS 82 2HB CYS 82 25.759 -2.498 -8.704 668 HG CYS 82 HG CYS 82 23.913 -0.952 -8.223 669 H MET 83 H MET 83 26.179 -3.910 -11.087 670 HA MET 83 HA MET 83 26.234 -3.245 -13.984 671 1HB MET 83 1HB MET 83 28.132 -4.982 -12.515 672 2HB MET 83 2HB MET 83 27.263 -5.945 -13.685 673 1HG MET 83 1HG MET 83 27.924 -4.302 -15.514 674 2HG MET 83 2HG MET 83 29.024 -3.520 -14.417 675 1HE MET 83 1HE MET 83 30.613 -6.269 -17.213 676 2HE MET 83 2HE MET 83 30.213 -4.517 -17.028 677 3HE MET 83 3HE MET 83 28.912 -5.709 -17.305 678 H THR 84 H THR 84 24.307 -3.210 -12.195 679 HA THR 84 HA THR 84 22.836 -5.333 -11.343 680 HB THR 84 HB THR 84 22.310 -2.642 -12.364 681 HG1 THR 84 HG1 THR 84 20.926 -3.349 -10.262 682 1HG2 THR 84 1HG2 THR 84 19.845 -3.022 -12.179 683 2HG2 THR 84 2HG2 THR 84 20.080 -4.765 -11.962 684 3HG2 THR 84 3HG2 THR 84 20.420 -3.959 -13.533 685 H THR 85 H THR 85 21.265 -6.606 -11.950 686 HA THR 85 HA THR 85 20.635 -6.940 -14.848 687 HB THR 85 HB THR 85 21.256 -9.175 -12.858 688 HG1 THR 85 HG1 THR 85 22.937 -7.880 -13.847 689 1HG2 THR 85 1HG2 THR 85 20.198 -10.666 -14.433 690 2HG2 THR 85 2HG2 THR 85 21.217 -10.035 -15.720 691 3HG2 THR 85 3HG2 THR 85 19.711 -9.182 -15.325 692 H VAL 86 H VAL 86 18.659 -6.310 -14.719 693 HA VAL 86 HA VAL 86 16.939 -7.178 -12.424 694 HB VAL 86 HB VAL 86 15.349 -5.814 -14.332 695 1HG1 VAL 86 1HG1 VAL 86 15.822 -5.658 -11.573 696 2HG1 VAL 86 2HG1 VAL 86 14.736 -4.546 -12.458 697 3HG1 VAL 86 3HG1 VAL 86 16.371 -4.073 -12.078 698 1HG2 VAL 86 1HG2 VAL 86 17.222 -4.812 -15.491 699 2HG2 VAL 86 2HG2 VAL 86 18.072 -4.336 -13.984 700 3HG2 VAL 86 3HG2 VAL 86 16.614 -3.502 -14.512 701 H SER 87 H SER 87 16.282 -9.257 -12.687 702 HA SER 87 HA SER 87 15.170 -9.951 -15.410 703 1HB SER 87 1HB SER 87 16.217 -12.216 -15.148 704 2HB SER 87 2HB SER 87 17.352 -10.893 -15.449 705 HG SER 87 HG SER 87 16.790 -11.819 -12.862 706 H TRP 88 H TRP 88 13.303 -11.012 -15.287 707 HA TRP 88 HA TRP 88 11.874 -11.431 -12.805 708 1HB TRP 88 1HB TRP 88 10.340 -12.772 -14.266 709 2HB TRP 88 2HB TRP 88 10.503 -11.062 -14.651 710 HD1 TRP 88 HD1 TRP 88 13.459 -12.901 -16.096 711 HE1 TRP 88 HE1 TRP 88 13.114 -13.436 -18.621 712 HE3 TRP 88 HE3 TRP 88 8.419 -11.859 -16.379 713 HZ2 TRP 88 HZ2 TRP 88 10.988 -13.394 -20.417 714 HZ3 TRP 88 HZ3 TRP 88 7.341 -12.155 -18.550 715 HH2 TRP 88 HH2 TRP 88 8.555 -12.890 -20.528 716 H ASP 89 H ASP 89 12.567 -12.965 -11.345 717 HA ASP 89 HA ASP 89 13.845 -15.442 -12.324 718 1HB ASP 89 1HB ASP 89 14.875 -14.577 -10.395 719 2HB ASP 89 2HB ASP 89 13.345 -14.126 -9.604 720 H GLY 90 H GLY 90 10.789 -14.055 -11.416 721 1HA GLY 90 1HA GLY 90 9.026 -15.669 -12.468 722 2HA GLY 90 2HA GLY 90 9.561 -16.744 -11.085 723 H ASP 91 H ASP 91 8.589 -13.381 -11.903 724 HA ASP 91 HA ASP 91 6.961 -12.012 -10.917 725 1HB ASP 91 1HB ASP 91 6.832 -13.743 -8.521 726 2HB ASP 91 2HB ASP 91 5.637 -12.548 -9.176 727 H LYS 92 H LYS 92 9.162 -13.557 -8.447 728 HA LYS 92 HA LYS 92 9.654 -11.268 -6.863 729 1HB LYS 92 1HB LYS 92 10.431 -13.780 -6.678 730 2HB LYS 92 2HB LYS 92 11.886 -13.232 -7.512 731 1HG LYS 92 1HG LYS 92 12.658 -11.977 -5.836 732 2HG LYS 92 2HG LYS 92 11.099 -11.426 -5.288 733 1HD LYS 92 1HD LYS 92 11.785 -12.823 -3.527 734 2HD LYS 92 2HD LYS 92 10.736 -13.905 -4.449 735 1HE LYS 92 1HE LYS 92 12.397 -15.383 -4.592 736 2HE LYS 92 2HE LYS 92 13.337 -14.278 -5.619 737 1HZ LYS 92 1HZ LYS 92 14.149 -15.243 -3.297 738 2HZ LYS 92 2HZ LYS 92 13.397 -13.847 -2.724 739 3HZ LYS 92 3HZ LYS 92 14.643 -13.707 -3.815 740 H LEU 93 H LEU 93 10.234 -9.326 -7.964 741 HA LEU 93 HA LEU 93 11.886 -9.342 -10.366 742 1HB LEU 93 1HB LEU 93 10.242 -7.485 -9.068 743 2HB LEU 93 2HB LEU 93 11.824 -6.924 -8.555 744 HG LEU 93 HG LEU 93 12.454 -6.990 -11.067 745 1HD1 LEU 93 1HD1 LEU 93 9.788 -8.128 -11.279 746 2HD1 LEU 93 2HD1 LEU 93 10.873 -7.755 -12.609 747 3HD1 LEU 93 3HD1 LEU 93 9.724 -6.540 -12.036 748 1HD2 LEU 93 1HD2 LEU 93 11.382 -4.756 -11.559 749 2HD2 LEU 93 2HD2 LEU 93 11.981 -4.829 -9.909 750 3HD2 LEU 93 3HD2 LEU 93 10.226 -5.064 -10.230 751 H GLN 94 H GLN 94 13.697 -10.397 -10.096 752 HA GLN 94 HA GLN 94 15.418 -10.063 -7.695 753 1HB GLN 94 1HB GLN 94 14.867 -12.153 -9.167 754 2HB GLN 94 2HB GLN 94 16.189 -11.515 -10.143 755 1HG GLN 94 1HG GLN 94 17.765 -11.747 -8.367 756 2HG GLN 94 2HG GLN 94 16.503 -11.836 -7.131 757 1HE2 GLN 94 1HE2 GLN 94 15.171 -13.815 -6.991 758 2HE2 GLN 94 2HE2 GLN 94 15.838 -15.333 -7.579 759 H CYS 95 H CYS 95 16.592 -8.385 -7.490 760 HA CYS 95 HA CYS 95 17.970 -7.180 -9.844 761 1HB CYS 95 1HB CYS 95 17.126 -6.282 -7.113 762 2HB CYS 95 2HB CYS 95 18.456 -5.400 -7.959 763 HG CYS 95 HG CYS 95 15.282 -5.925 -8.851 764 H VAL 96 H VAL 96 19.880 -8.531 -10.056 765 HA VAL 96 HA VAL 96 21.528 -8.818 -7.577 766 HB VAL 96 HB VAL 96 21.047 -10.589 -9.911 767 1HG1 VAL 96 1HG1 VAL 96 23.878 -10.071 -8.851 768 2HG1 VAL 96 2HG1 VAL 96 23.324 -9.967 -10.548 769 3HG1 VAL 96 3HG1 VAL 96 23.462 -11.542 -9.740 770 1HG2 VAL 96 1HG2 VAL 96 22.385 -11.172 -7.217 771 2HG2 VAL 96 2HG2 VAL 96 21.463 -12.296 -8.208 772 3HG2 VAL 96 3HG2 VAL 96 20.609 -10.953 -7.372 773 H GLN 97 H GLN 97 23.027 -7.286 -7.468 774 HA GLN 97 HA GLN 97 24.065 -6.025 -9.989 775 1HB GLN 97 1HB GLN 97 24.928 -4.395 -8.034 776 2HB GLN 97 2HB GLN 97 23.379 -4.170 -8.874 777 1HG GLN 97 1HG GLN 97 22.201 -5.344 -7.046 778 2HG GLN 97 2HG GLN 97 23.717 -5.693 -6.247 779 1HE2 GLN 97 1HE2 GLN 97 21.378 -4.085 -5.228 780 2HE2 GLN 97 2HE2 GLN 97 22.000 -2.516 -4.843 781 H LYS 98 H LYS 98 26.009 -6.619 -10.592 782 HA LYS 98 HA LYS 98 27.866 -8.078 -8.894 783 1HB LYS 98 1HB LYS 98 28.242 -6.792 -11.592 784 2HB LYS 98 2HB LYS 98 29.404 -7.820 -10.798 785 1HG LYS 98 1HG LYS 98 26.973 -9.293 -10.641 786 2HG LYS 98 2HG LYS 98 27.006 -8.577 -12.298 787 1HD LYS 98 1HD LYS 98 29.318 -10.181 -11.075 788 2HD LYS 98 2HD LYS 98 28.014 -10.871 -12.058 789 1HE LYS 98 1HE LYS 98 28.690 -8.992 -13.832 790 2HE LYS 98 2HE LYS 98 30.164 -8.839 -12.833 791 1HZ LYS 98 1HZ LYS 98 30.232 -10.423 -14.763 792 2HZ LYS 98 2HZ LYS 98 29.184 -11.412 -13.928 793 3HZ LYS 98 3HZ LYS 98 30.715 -11.086 -13.256 794 H GLY 99 H GLY 99 29.180 -7.233 -7.451 795 1HA GLY 99 1HA GLY 99 30.988 -5.030 -8.024 796 2HA GLY 99 2HA GLY 99 29.661 -4.467 -6.969 797 H GLU 100 H GLU 100 31.322 -4.068 -5.429 798 HA GLU 100 HA GLU 100 32.702 -6.419 -4.330 799 1HB GLU 100 1HB GLU 100 32.962 -4.260 -2.536 800 2HB GLU 100 2HB GLU 100 34.122 -5.134 -3.537 801 1HG GLU 100 1HG GLU 100 32.390 -2.762 -4.446 802 2HG GLU 100 2HG GLU 100 34.068 -2.643 -3.898 803 H LYS 101 H LYS 101 32.629 -6.156 -1.626 804 HA LYS 101 HA LYS 101 31.368 -6.276 0.317 805 1HB LYS 101 1HB LYS 101 29.755 -4.764 -1.163 806 2HB LYS 101 2HB LYS 101 28.709 -6.184 -0.882 807 1HG LYS 101 1HG LYS 101 28.306 -4.621 0.889 808 2HG LYS 101 2HG LYS 101 29.155 -6.026 1.596 809 1HD LYS 101 1HD LYS 101 30.776 -4.728 2.351 810 2HD LYS 101 2HD LYS 101 31.262 -4.363 0.714 811 1HE LYS 101 1HE LYS 101 28.997 -2.791 2.116 812 2HE LYS 101 2HE LYS 101 30.750 -2.290 2.108 813 1HZ LYS 101 1HZ LYS 101 29.867 -2.905 -0.517 814 2HZ LYS 101 2HZ LYS 101 30.520 -1.487 0.105 815 3HZ LYS 101 3HZ LYS 101 28.846 -1.806 0.204 816 H GLU 102 H GLU 102 28.782 -7.621 0.565 817 HA GLU 102 HA GLU 102 29.294 -10.254 -0.739 818 1HB GLU 102 1HB GLU 102 28.725 -9.637 2.171 819 2HB GLU 102 2HB GLU 102 28.655 -11.287 1.524 820 1HG GLU 102 1HG GLU 102 31.213 -10.200 0.740 821 2HG GLU 102 2HG GLU 102 30.946 -9.627 2.363 822 H GLY 103 H GLY 103 26.974 -8.228 1.118 823 1HA GLY 103 1HA GLY 103 24.770 -9.978 0.247 824 2HA GLY 103 2HA GLY 103 24.621 -8.814 1.454 825 H ARG 104 H ARG 104 26.214 -7.277 -1.178 826 HA ARG 104 HA ARG 104 24.113 -5.495 -1.672 827 1HB ARG 104 1HB ARG 104 26.526 -6.342 -3.243 828 2HB ARG 104 2HB ARG 104 25.318 -5.316 -4.018 829 1HG ARG 104 1HG ARG 104 25.483 -3.634 -2.275 830 2HG ARG 104 2HG ARG 104 26.740 -4.592 -1.425 831 1HD ARG 104 1HD ARG 104 28.301 -3.790 -2.856 832 2HD ARG 104 2HD ARG 104 27.403 -4.331 -4.276 833 HE ARG 104 HE ARG 104 26.809 -1.743 -2.938 834 1HH1 ARG 104 1HH1 ARG 104 27.385 -3.524 -6.025 835 2HH1 ARG 104 2HH1 ARG 104 27.082 -2.087 -6.941 836 1HH2 ARG 104 1HH2 ARG 104 26.452 0.047 -4.339 837 2HH2 ARG 104 2HH2 ARG 104 26.572 -0.160 -6.053 838 H GLY 105 H GLY 105 22.328 -5.566 -2.764 839 1HA GLY 105 1HA GLY 105 21.365 -6.281 -4.982 840 2HA GLY 105 2HA GLY 105 21.687 -7.976 -4.460 841 H TRP 106 H TRP 106 19.173 -6.112 -4.958 842 HA TRP 106 HA TRP 106 17.866 -6.562 -2.292 843 1HB TRP 106 1HB TRP 106 16.430 -4.959 -4.320 844 2HB TRP 106 2HB TRP 106 16.442 -4.879 -2.592 845 HD1 TRP 106 HD1 TRP 106 19.929 -4.507 -2.731 846 HE1 TRP 106 HE1 TRP 106 20.752 -2.094 -3.060 847 HE3 TRP 106 HE3 TRP 106 15.601 -2.481 -4.524 848 HZ2 TRP 106 HZ2 TRP 106 19.686 0.411 -4.000 849 HZ3 TRP 106 HZ3 TRP 106 15.586 -0.097 -5.112 850 HH2 TRP 106 HH2 TRP 106 17.635 1.310 -4.840 851 H THR 107 H THR 107 15.282 -6.566 -3.019 852 HA THR 107 HA THR 107 14.726 -8.259 -5.276 853 HB THR 107 HB THR 107 15.192 -9.395 -2.577 854 HG1 THR 107 HG1 THR 107 16.186 -9.881 -4.628 855 1HG2 THR 107 1HG2 THR 107 13.319 -11.151 -2.907 856 2HG2 THR 107 2HG2 THR 107 12.762 -10.199 -4.318 857 3HG2 THR 107 3HG2 THR 107 12.670 -9.509 -2.691 858 H GLN 108 H GLN 108 12.744 -7.988 -5.884 859 HA GLN 108 HA GLN 108 10.861 -6.553 -4.059 860 1HB GLN 108 1HB GLN 108 12.007 -5.700 -6.430 861 2HB GLN 108 2HB GLN 108 10.573 -6.472 -7.043 862 1HG GLN 108 1HG GLN 108 9.143 -4.876 -6.130 863 2HG GLN 108 2HG GLN 108 10.269 -4.481 -4.814 864 1HE2 GLN 108 1HE2 GLN 108 12.205 -3.313 -5.202 865 2HE2 GLN 108 2HE2 GLN 108 12.333 -2.230 -6.526 866 H TRP 109 H TRP 109 9.787 -8.250 -3.244 867 HA TRP 109 HA TRP 109 8.441 -10.181 -5.158 868 1HB TRP 109 1HB TRP 109 9.627 -11.473 -3.847 869 2HB TRP 109 2HB TRP 109 9.526 -10.411 -2.438 870 HD1 TRP 109 HD1 TRP 109 6.144 -11.455 -4.078 871 HE1 TRP 109 HE1 TRP 109 5.029 -13.140 -2.482 872 HE3 TRP 109 HE3 TRP 109 9.997 -12.265 -0.762 873 HZ2 TRP 109 HZ2 TRP 109 5.681 -14.666 -0.085 874 HZ3 TRP 109 HZ3 TRP 109 9.704 -13.826 1.154 875 HH2 TRP 109 HH2 TRP 109 7.574 -14.978 1.446 876 H ILE 110 H ILE 110 6.487 -9.507 -5.657 877 HA ILE 110 HA ILE 110 4.946 -7.844 -3.789 878 HB ILE 110 HB ILE 110 4.578 -8.687 -6.631 879 1HG1 ILE 110 1HG1 ILE 110 5.286 -6.046 -5.280 880 2HG1 ILE 110 2HG1 ILE 110 6.399 -7.108 -6.108 881 1HG2 ILE 110 1HG2 ILE 110 2.887 -6.425 -5.541 882 2HG2 ILE 110 2HG2 ILE 110 2.413 -8.009 -4.923 883 3HG2 ILE 110 3HG2 ILE 110 2.432 -7.749 -6.658 884 1HD1 ILE 110 1HD1 ILE 110 4.020 -5.774 -7.512 885 2HD1 ILE 110 2HD1 ILE 110 5.289 -6.764 -8.239 886 3HD1 ILE 110 3HD1 ILE 110 5.666 -5.158 -7.553 887 H GLU 111 H GLU 111 3.030 -8.436 -2.794 888 HA GLU 111 HA GLU 111 2.144 -11.251 -3.158 889 1HB GLU 111 1HB GLU 111 2.496 -9.397 -0.765 890 2HB GLU 111 2HB GLU 111 1.101 -10.464 -0.690 891 1HG GLU 111 1HG GLU 111 3.141 -12.239 -1.286 892 2HG GLU 111 2HG GLU 111 3.946 -11.003 -0.283 893 H GLY 112 H GLY 112 1.115 -9.921 -5.047 894 1HA GLY 112 1HA GLY 112 -0.880 -9.092 -5.934 895 2HA GLY 112 2HA GLY 112 -1.633 -9.531 -4.335 896 H ASP 113 H ASP 113 -2.467 -7.809 -3.372 897 HA ASP 113 HA ASP 113 -2.044 -5.082 -4.131 898 1HB ASP 113 1HB ASP 113 -3.275 -4.569 -1.998 899 2HB ASP 113 2HB ASP 113 -4.061 -5.648 -3.181 900 H GLU 114 H GLU 114 0.187 -7.076 -2.354 901 HA GLU 114 HA GLU 114 1.255 -4.661 -0.886 902 1HB GLU 114 1HB GLU 114 1.890 -7.503 -0.296 903 2HB GLU 114 2HB GLU 114 2.213 -6.102 0.683 904 1HG GLU 114 1HG GLU 114 -0.022 -5.841 1.373 905 2HG GLU 114 2HG GLU 114 -0.696 -6.751 0.062 906 H LEU 115 H LEU 115 3.433 -4.479 -0.833 907 HA LEU 115 HA LEU 115 5.066 -5.788 -2.961 908 1HB LEU 115 1HB LEU 115 4.462 -3.514 -3.567 909 2HB LEU 115 2HB LEU 115 4.866 -2.948 -1.962 910 HG LEU 115 HG LEU 115 7.082 -2.768 -2.441 911 1HD1 LEU 115 1HD1 LEU 115 6.872 -5.082 -4.467 912 2HD1 LEU 115 2HD1 LEU 115 7.450 -5.235 -2.807 913 3HD1 LEU 115 3HD1 LEU 115 8.375 -4.308 -3.958 914 1HD2 LEU 115 1HD2 LEU 115 6.089 -2.940 -5.395 915 2HD2 LEU 115 2HD2 LEU 115 7.499 -2.034 -4.749 916 3HD2 LEU 115 3HD2 LEU 115 5.890 -1.518 -4.321 917 H HIS 116 H HIS 116 6.224 -7.192 -1.721 918 HA HIS 116 HA HIS 116 7.161 -6.330 1.000 919 1HB HIS 116 1HB HIS 116 6.819 -8.948 -0.330 920 2HB HIS 116 2HB HIS 116 8.088 -8.759 0.907 921 HD1 HIS 116 HD1 HIS 116 4.298 -8.697 0.400 922 HD2 HIS 116 HD2 HIS 116 7.114 -8.303 3.509 923 HE1 HIS 116 HE1 HIS 116 3.016 -8.774 2.594 924 HE2 HIS 116 HE2 HIS 116 4.725 -8.526 4.472 925 H LEU 117 H LEU 117 8.695 -4.774 0.206 926 HA LEU 117 HA LEU 117 10.890 -5.642 -1.556 927 1HB LEU 117 1HB LEU 117 9.677 -3.413 -1.350 928 2HB LEU 117 2HB LEU 117 10.473 -3.110 0.122 929 HG LEU 117 HG LEU 117 12.440 -2.477 -0.850 930 1HD1 LEU 117 1HD1 LEU 117 12.772 -4.884 -1.804 931 2HD1 LEU 117 2HD1 LEU 117 13.603 -3.564 -2.595 932 3HD1 LEU 117 3HD1 LEU 117 12.086 -4.219 -3.298 933 1HD2 LEU 117 1HD2 LEU 117 10.893 -2.305 -3.518 934 2HD2 LEU 117 2HD2 LEU 117 12.056 -1.163 -2.835 935 3HD2 LEU 117 3HD2 LEU 117 10.468 -1.269 -2.107 936 H GLU 118 H GLU 118 12.513 -6.864 -0.653 937 HA GLU 118 HA GLU 118 13.326 -6.288 2.154 938 1HB GLU 118 1HB GLU 118 12.321 -8.407 1.948 939 2HB GLU 118 2HB GLU 118 13.364 -8.852 0.562 940 1HG GLU 118 1HG GLU 118 15.292 -8.896 1.933 941 2HG GLU 118 2HG GLU 118 14.530 -7.968 3.219 942 H MET 119 H MET 119 14.984 -4.652 1.522 943 HA MET 119 HA MET 119 16.916 -5.433 -0.568 944 1HB MET 119 1HB MET 119 16.926 -3.104 1.362 945 2HB MET 119 2HB MET 119 17.922 -3.300 -0.113 946 1HG MET 119 1HG MET 119 15.984 -3.097 -1.545 947 2HG MET 119 2HG MET 119 14.848 -3.278 -0.177 948 1HE MET 119 1HE MET 119 15.018 -0.053 1.732 949 2HE MET 119 2HE MET 119 15.108 -1.818 1.892 950 3HE MET 119 3HE MET 119 13.777 -1.080 0.950 951 H ARG 120 H ARG 120 19.192 -5.475 -0.102 952 HA ARG 120 HA ARG 120 19.986 -6.198 2.653 953 1HB ARG 120 1HB ARG 120 19.281 -8.136 0.761 954 2HB ARG 120 2HB ARG 120 21.058 -8.146 0.788 955 1HG ARG 120 1HG ARG 120 20.958 -8.338 3.282 956 2HG ARG 120 2HG ARG 120 19.178 -8.538 3.177 957 1HD ARG 120 1HD ARG 120 21.427 -10.378 2.224 958 2HD ARG 120 2HD ARG 120 20.004 -10.780 3.162 959 HE ARG 120 HE ARG 120 18.728 -10.234 0.974 960 1HH1 ARG 120 1HH1 ARG 120 21.907 -11.827 1.034 961 2HH1 ARG 120 2HH1 ARG 120 21.618 -12.666 -0.440 962 1HH2 ARG 120 1HH2 ARG 120 18.379 -11.319 -0.961 963 2HH2 ARG 120 2HH2 ARG 120 19.594 -12.360 -1.561 964 H ALA 121 H ALA 121 22.177 -6.107 3.039 965 HA ALA 121 HA ALA 121 24.150 -5.647 0.927 966 1HB ALA 121 1HB ALA 121 22.978 -3.339 1.122 967 2HB ALA 121 2HB ALA 121 24.737 -3.411 1.338 968 3HB ALA 121 3HB ALA 121 23.673 -3.286 2.769 969 H GLU 122 H GLU 122 25.932 -6.537 1.712 970 HA GLU 122 HA GLU 122 27.532 -7.296 3.221 971 1HB GLU 122 1HB GLU 122 27.226 -4.712 3.497 972 2HB GLU 122 2HB GLU 122 26.647 -5.179 5.086 973 1HG GLU 122 1HG GLU 122 29.108 -6.662 4.605 974 2HG GLU 122 2HG GLU 122 29.377 -4.956 4.157 975 H GLY 123 H GLY 123 24.760 -8.549 3.701 976 1HA GLY 123 1HA GLY 123 24.362 -10.241 5.275 977 2HA GLY 123 2HA GLY 123 25.399 -9.493 6.436 978 H VAL 124 H VAL 124 23.530 -6.852 5.551 979 HA VAL 124 HA VAL 124 21.621 -7.479 7.755 980 HB VAL 124 HB VAL 124 22.384 -4.679 6.792 981 1HG1 VAL 124 1HG1 VAL 124 21.259 -3.944 8.805 982 2HG1 VAL 124 2HG1 VAL 124 21.070 -5.570 9.456 983 3HG1 VAL 124 3HG1 VAL 124 20.150 -5.039 8.005 984 1HG2 VAL 124 1HG2 VAL 124 24.358 -5.911 7.739 985 2HG2 VAL 124 2HG2 VAL 124 23.433 -6.214 9.237 986 3HG2 VAL 124 3HG2 VAL 124 23.859 -4.558 8.796 987 H THR 125 H THR 125 19.681 -7.838 7.237 988 HA THR 125 HA THR 125 18.514 -7.054 4.601 989 HB THR 125 HB THR 125 17.384 -8.661 6.903 990 HG1 THR 125 HG1 THR 125 18.032 -10.393 5.506 991 1HG2 THR 125 1HG2 THR 125 16.588 -8.341 3.927 992 2HG2 THR 125 2HG2 THR 125 15.615 -7.973 5.329 993 3HG2 THR 125 3HG2 THR 125 15.972 -9.686 4.912 994 H CYS 126 H CYS 126 17.550 -5.293 4.374 995 HA CYS 126 HA CYS 126 16.040 -3.975 6.631 996 1HB CYS 126 1HB CYS 126 17.973 -3.043 4.681 997 2HB CYS 126 2HB CYS 126 16.389 -2.472 4.083 998 HG CYS 126 HG CYS 126 15.686 -1.090 5.957 999 H LYS 127 H LYS 127 13.890 -3.623 6.374 1000 HA LYS 127 HA LYS 127 12.692 -4.221 3.702 1001 1HB LYS 127 1HB LYS 127 10.966 -5.514 5.436 1002 2HB LYS 127 2HB LYS 127 11.992 -6.244 4.183 1003 1HG LYS 127 1HG LYS 127 13.880 -6.478 5.798 1004 2HG LYS 127 2HG LYS 127 12.854 -5.788 7.075 1005 1HD LYS 127 1HD LYS 127 11.881 -8.136 5.425 1006 2HD LYS 127 2HD LYS 127 12.992 -8.416 6.805 1007 1HE LYS 127 1HE LYS 127 10.657 -6.599 7.273 1008 2HE LYS 127 2HE LYS 127 10.237 -8.288 6.903 1009 1HZ LYS 127 1HZ LYS 127 11.192 -7.232 9.329 1010 2HZ LYS 127 2HZ LYS 127 12.335 -8.310 8.758 1011 3HZ LYS 127 3HZ LYS 127 10.735 -8.840 8.965 1012 H GLN 128 H GLN 128 10.738 -3.493 3.297 1013 HA GLN 128 HA GLN 128 9.521 -1.659 5.290 1014 1HB GLN 128 1HB GLN 128 9.355 -1.060 2.354 1015 2HB GLN 128 2HB GLN 128 9.518 0.067 3.733 1016 1HG GLN 128 1HG GLN 128 11.936 -0.937 3.899 1017 2HG GLN 128 2HG GLN 128 11.683 -1.496 2.265 1018 1HE2 GLN 128 1HE2 GLN 128 10.021 0.531 1.230 1019 2HE2 GLN 128 2HE2 GLN 128 10.913 1.988 1.096 1020 H VAL 129 H VAL 129 7.497 -2.407 5.646 1021 HA VAL 129 HA VAL 129 6.285 -4.201 3.631 1022 HB VAL 129 HB VAL 129 4.787 -3.055 6.036 1023 1HG1 VAL 129 1HG1 VAL 129 4.221 -5.631 4.516 1024 2HG1 VAL 129 2HG1 VAL 129 3.577 -4.056 4.038 1025 3HG1 VAL 129 3HG1 VAL 129 3.159 -4.715 5.613 1026 1HG2 VAL 129 1HG2 VAL 129 6.735 -5.389 5.787 1027 2HG2 VAL 129 2HG2 VAL 129 5.290 -5.576 6.828 1028 3HG2 VAL 129 3HG2 VAL 129 6.476 -4.303 7.188 1029 H PHE 130 H PHE 130 6.080 -2.930 1.797 1030 HA PHE 130 HA PHE 130 4.620 -0.405 1.812 1031 1HB PHE 130 1HB PHE 130 5.924 -2.261 -0.060 1032 2HB PHE 130 2HB PHE 130 4.420 -1.575 -0.742 1033 HD1 PHE 130 HD1 PHE 130 7.846 -1.251 -0.714 1034 HD2 PHE 130 HD2 PHE 130 4.352 1.124 -0.081 1035 HE1 PHE 130 HE1 PHE 130 9.161 0.781 -1.263 1036 HE2 PHE 130 HE2 PHE 130 5.597 3.151 -0.628 1037 HZ PHE 130 HZ PHE 130 8.009 3.020 -1.226 1038 H LYS 131 H LYS 131 2.608 -0.169 0.456 1039 HA LYS 131 HA LYS 131 0.779 -2.571 0.587 1040 1HB LYS 131 1HB LYS 131 0.547 -1.251 2.646 1041 2HB LYS 131 2HB LYS 131 0.257 0.232 1.753 1042 1HG LYS 131 1HG LYS 131 -1.761 -1.164 2.631 1043 2HG LYS 131 2HG LYS 131 -1.840 -0.290 1.056 1044 1HD LYS 131 1HD LYS 131 -1.264 -2.431 -0.112 1045 2HD LYS 131 2HD LYS 131 -1.148 -3.245 1.496 1046 1HE LYS 131 1HE LYS 131 -3.676 -1.736 0.995 1047 2HE LYS 131 2HE LYS 131 -3.428 -3.158 -0.062 1048 1HZ LYS 131 1HZ LYS 131 -2.839 -4.259 2.226 1049 2HZ LYS 131 2HZ LYS 131 -4.404 -4.115 1.623 1050 3HZ LYS 131 3HZ LYS 131 -3.831 -3.029 2.801 1051 H LYS 132 H LYS 132 1.082 -2.583 -1.728 1052 HA LYS 132 HA LYS 132 0.811 -0.312 -3.470 1053 1HB LYS 132 1HB LYS 132 1.758 -2.445 -4.260 1054 2HB LYS 132 2HB LYS 132 0.266 -3.293 -3.912 1055 1HG LYS 132 1HG LYS 132 -0.948 -2.051 -5.638 1056 2HG LYS 132 2HG LYS 132 0.503 -1.016 -5.918 1057 1HD LYS 132 1HD LYS 132 1.267 -2.466 -7.341 1058 2HD LYS 132 2HD LYS 132 1.347 -3.752 -6.106 1059 1HE LYS 132 1HE LYS 132 -1.227 -4.033 -6.587 1060 2HE LYS 132 2HE LYS 132 -0.823 -3.276 -8.130 1061 1HZ LYS 132 1HZ LYS 132 -0.362 -5.350 -8.637 1062 2HZ LYS 132 2HZ LYS 132 -0.071 -5.828 -7.040 1063 3HZ LYS 132 3HZ LYS 132 1.161 -5.069 -7.912 1064 H VAL 133 H VAL 133 -0.892 0.977 -3.031 1065 HA VAL 133 HA VAL 133 -3.496 0.504 -2.252 1066 HB VAL 133 HB VAL 133 -2.414 2.666 -2.583 1067 1HG1 VAL 133 1HG1 VAL 133 -3.180 2.220 -5.552 1068 2HG1 VAL 133 2HG1 VAL 133 -1.537 2.307 -4.846 1069 3HG1 VAL 133 3HG1 VAL 133 -2.618 3.732 -4.884 1070 1HG2 VAL 133 1HG2 VAL 133 -5.127 2.540 -3.982 1071 2HG2 VAL 133 2HG2 VAL 133 -4.534 3.687 -2.734 1072 3HG2 VAL 133 3HG2 VAL 133 -4.931 2.029 -2.274 1073 H HIS 134 H HIS 134 -2.044 -0.077 -5.390 1074 HA HIS 134 HA HIS 134 -2.796 -1.131 -7.299 1075 1HB HIS 134 1HB HIS 134 -3.253 -2.935 -5.815 1076 2HB HIS 134 2HB HIS 134 -4.872 -2.283 -5.441 1077 HD1 HIS 134 HD1 HIS 134 -6.719 -2.578 -7.350 1078 HD2 HIS 134 HD2 HIS 134 -2.943 -4.132 -8.249 1079 HE1 HIS 134 HE1 HIS 134 -7.087 -3.968 -9.388 1080 HE2 HIS 134 HE2 HIS 134 -4.768 -4.951 -9.965 Start of MODEL 11 1 1H PRO 1 1H PRO 1 0.880 -10.348 -16.654 2 2H PRO 1 2H PRO 1 0.009 -8.958 -16.762 3 HA PRO 1 HA PRO 1 -1.180 -9.398 -14.745 4 1HB PRO 1 1HB PRO 1 0.028 -12.167 -15.201 5 2HB PRO 1 2HB PRO 1 -1.388 -11.775 -14.127 6 1HG PRO 1 1HG PRO 1 -1.800 -12.411 -16.756 7 2HG PRO 1 2HG PRO 1 -2.797 -11.206 -15.980 8 1HD PRO 1 1HD PRO 1 -0.943 -10.845 -18.178 9 2HD PRO 1 2HD PRO 1 -1.884 -9.534 -17.355 10 H VAL 2 H VAL 2 1.787 -8.948 -15.611 11 HA VAL 2 HA VAL 2 2.963 -9.438 -12.894 12 HB VAL 2 HB VAL 2 4.717 -9.258 -15.298 13 1HG1 VAL 2 1HG1 VAL 2 5.692 -11.139 -13.448 14 2HG1 VAL 2 2HG1 VAL 2 4.948 -9.938 -12.402 15 3HG1 VAL 2 3HG1 VAL 2 6.218 -9.456 -13.569 16 1HG2 VAL 2 1HG2 VAL 2 4.653 -11.910 -15.143 17 2HG2 VAL 2 2HG2 VAL 2 3.426 -11.038 -16.095 18 3HG2 VAL 2 3HG2 VAL 2 3.022 -11.608 -14.450 19 H ASP 3 H ASP 3 1.607 -7.145 -14.536 20 HA ASP 3 HA ASP 3 3.566 -5.060 -14.928 21 1HB ASP 3 1HB ASP 3 0.594 -5.357 -15.007 22 2HB ASP 3 2HB ASP 3 1.226 -3.714 -14.756 23 H PHE 4 H PHE 4 4.691 -4.144 -13.342 24 HA PHE 4 HA PHE 4 3.772 -4.147 -10.585 25 1HB PHE 4 1HB PHE 4 6.184 -3.172 -11.976 26 2HB PHE 4 2HB PHE 4 5.820 -2.489 -10.409 27 HD1 PHE 4 HD1 PHE 4 5.761 -5.910 -12.081 28 HD2 PHE 4 HD2 PHE 4 6.775 -3.574 -8.614 29 HE1 PHE 4 HE1 PHE 4 6.673 -7.918 -11.019 30 HE2 PHE 4 HE2 PHE 4 7.707 -5.635 -7.532 31 HZ PHE 4 HZ PHE 4 7.649 -7.822 -8.772 32 H ASN 5 H ASN 5 3.247 -2.098 -13.225 33 HA ASN 5 HA ASN 5 3.108 0.515 -12.058 34 1HB ASN 5 1HB ASN 5 1.165 0.803 -13.813 35 2HB ASN 5 2HB ASN 5 2.928 0.760 -14.200 36 1HD2 ASN 5 1HD2 ASN 5 -0.186 -0.990 -14.441 37 2HD2 ASN 5 2HD2 ASN 5 0.358 -2.133 -15.605 38 H GLY 6 H GLY 6 1.969 1.130 -10.316 39 1HA GLY 6 1HA GLY 6 -0.948 0.619 -10.301 40 2HA GLY 6 2HA GLY 6 -0.175 -0.264 -9.062 41 H TYR 7 H TYR 7 0.376 0.749 -7.151 42 HA TYR 7 HA TYR 7 0.484 3.582 -6.748 43 1HB TYR 7 1HB TYR 7 -2.052 1.952 -6.264 44 2HB TYR 7 2HB TYR 7 -1.631 3.127 -4.975 45 HD1 TYR 7 HD1 TYR 7 -3.218 2.738 -8.266 46 HD2 TYR 7 HD2 TYR 7 -1.296 5.546 -5.659 47 HE1 TYR 7 HE1 TYR 7 -4.211 4.586 -9.521 48 HE2 TYR 7 HE2 TYR 7 -2.281 7.418 -6.901 49 HH TYR 7 HH TYR 7 -4.788 6.783 -9.276 50 H TRP 8 H TRP 8 0.780 3.869 -4.383 51 HA TRP 8 HA TRP 8 1.742 1.471 -2.854 52 1HB TRP 8 1HB TRP 8 3.786 2.704 -2.417 53 2HB TRP 8 2HB TRP 8 3.585 2.459 -4.147 54 HD1 TRP 8 HD1 TRP 8 3.888 5.314 -1.489 55 HE1 TRP 8 HE1 TRP 8 3.631 7.543 -2.648 56 HE3 TRP 8 HE3 TRP 8 2.296 3.761 -6.204 57 HZ2 TRP 8 HZ2 TRP 8 2.893 8.591 -5.105 58 HZ3 TRP 8 HZ3 TRP 8 1.850 5.483 -7.851 59 HH2 TRP 8 HH2 TRP 8 2.149 7.905 -7.339 60 H LYS 9 H LYS 9 2.727 2.374 -0.807 61 HA LYS 9 HA LYS 9 2.339 4.672 0.492 62 1HB LYS 9 1HB LYS 9 0.320 4.104 1.979 63 2HB LYS 9 2HB LYS 9 -0.085 4.749 0.381 64 1HG LYS 9 1HG LYS 9 -0.742 2.715 -0.515 65 2HG LYS 9 2HG LYS 9 0.113 1.762 0.740 66 1HD LYS 9 1HD LYS 9 -2.299 3.596 1.274 67 2HD LYS 9 2HD LYS 9 -2.443 1.857 0.950 68 1HE LYS 9 1HE LYS 9 -1.965 1.399 3.153 69 2HE LYS 9 2HE LYS 9 -0.476 2.377 3.092 70 1HZ LYS 9 1HZ LYS 9 -1.771 4.352 3.469 71 2HZ LYS 9 2HZ LYS 9 -2.025 3.213 4.676 72 3HZ LYS 9 3HZ LYS 9 -3.214 3.447 3.464 73 H MET 10 H MET 10 4.151 4.022 1.367 74 HA MET 10 HA MET 10 4.953 1.602 2.361 75 1HB MET 10 1HB MET 10 6.508 2.517 3.710 76 2HB MET 10 2HB MET 10 6.384 3.552 2.269 77 1HG MET 10 1HG MET 10 5.707 4.135 5.153 78 2HG MET 10 2HG MET 10 6.612 5.109 4.011 79 1HE MET 10 1HE MET 10 5.829 7.074 4.670 80 2HE MET 10 2HE MET 10 4.200 7.221 5.444 81 3HE MET 10 3HE MET 10 4.502 7.868 3.793 82 H LEU 11 H LEU 11 5.179 0.619 4.346 83 HA LEU 11 HA LEU 11 2.908 1.157 6.208 84 1HB LEU 11 1HB LEU 11 3.754 -1.280 4.890 85 2HB LEU 11 2HB LEU 11 4.020 -1.492 6.552 86 HG LEU 11 HG LEU 11 1.505 -0.652 6.755 87 1HD1 LEU 11 1HD1 LEU 11 0.125 -1.257 4.801 88 2HD1 LEU 11 2HD1 LEU 11 1.538 -1.849 3.934 89 3HD1 LEU 11 3HD1 LEU 11 1.384 -0.094 4.313 90 1HD2 LEU 11 1HD2 LEU 11 1.021 -2.953 7.091 91 2HD2 LEU 11 2HD2 LEU 11 2.771 -3.128 6.816 92 3HD2 LEU 11 3HD2 LEU 11 1.642 -3.436 5.487 93 H SER 12 H SER 12 6.227 -0.242 5.817 94 HA SER 12 HA SER 12 7.157 1.134 8.245 95 1HB SER 12 1HB SER 12 5.962 -0.907 9.082 96 2HB SER 12 2HB SER 12 7.333 -1.828 8.429 97 HG SER 12 HG SER 12 7.650 -1.096 10.581 98 H ASN 13 H ASN 13 9.389 0.711 8.701 99 HA ASN 13 HA ASN 13 10.955 -0.337 6.373 100 1HB ASN 13 1HB ASN 13 12.561 1.566 7.692 101 2HB ASN 13 2HB ASN 13 11.827 1.742 6.063 102 1HD2 ASN 13 1HD2 ASN 13 10.799 3.652 5.813 103 2HD2 ASN 13 2HD2 ASN 13 9.876 4.497 6.999 104 H GLU 14 H GLU 14 13.015 -1.302 7.093 105 HA GLU 14 HA GLU 14 13.360 -1.425 10.034 106 1HB GLU 14 1HB GLU 14 11.714 -3.166 9.276 107 2HB GLU 14 2HB GLU 14 13.118 -4.007 8.564 108 1HG GLU 14 1HG GLU 14 12.688 -4.837 10.963 109 2HG GLU 14 2HG GLU 14 14.251 -4.092 10.792 110 H ASN 15 H ASN 15 15.238 -1.785 10.785 111 HA ASN 15 HA ASN 15 17.529 -2.070 10.936 112 1HB ASN 15 1HB ASN 15 16.789 -4.201 8.955 113 2HB ASN 15 2HB ASN 15 18.473 -3.884 9.468 114 1HD2 ASN 15 1HD2 ASN 15 16.455 -6.209 10.017 115 2HD2 ASN 15 2HD2 ASN 15 16.572 -6.402 11.716 116 H PHE 16 H PHE 16 16.302 -0.140 8.638 117 HA PHE 16 HA PHE 16 18.246 -0.280 6.512 118 1HB PHE 16 1HB PHE 16 17.328 1.681 5.653 119 2HB PHE 16 2HB PHE 16 16.069 0.559 6.167 120 HD1 PHE 16 HD1 PHE 16 16.847 1.861 9.263 121 HD2 PHE 16 HD2 PHE 16 15.330 3.240 5.485 122 HE1 PHE 16 HE1 PHE 16 15.737 3.751 10.392 123 HE2 PHE 16 HE2 PHE 16 14.233 5.122 6.576 124 HZ PHE 16 HZ PHE 16 14.453 5.378 9.085 125 H GLU 17 H GLU 17 18.508 1.111 9.739 126 HA GLU 17 HA GLU 17 20.516 3.092 8.938 127 1HB GLU 17 1HB GLU 17 19.578 2.109 11.624 128 2HB GLU 17 2HB GLU 17 20.986 3.166 11.406 129 1HG GLU 17 1HG GLU 17 19.720 4.979 10.872 130 2HG GLU 17 2HG GLU 17 18.644 4.028 9.869 131 H GLU 18 H GLU 18 20.489 -0.124 10.358 132 HA GLU 18 HA GLU 18 23.364 -0.197 10.709 133 1HB GLU 18 1HB GLU 18 23.153 -2.086 11.796 134 2HB GLU 18 2HB GLU 18 21.429 -1.606 11.876 135 1HG GLU 18 1HG GLU 18 21.008 -3.060 9.813 136 2HG GLU 18 2HG GLU 18 22.682 -3.610 9.966 137 H TYR 19 H TYR 19 21.136 -0.764 8.150 138 HA TYR 19 HA TYR 19 22.751 -2.543 6.468 139 1HB TYR 19 1HB TYR 19 20.685 -2.665 5.587 140 2HB TYR 19 2HB TYR 19 20.112 -1.225 6.404 141 HD1 TYR 19 HD1 TYR 19 22.395 -2.319 3.628 142 HD2 TYR 19 HD2 TYR 19 19.579 0.663 4.916 143 HE1 TYR 19 HE1 TYR 19 22.544 -1.213 1.389 144 HE2 TYR 19 HE2 TYR 19 19.729 1.750 2.695 145 HH TYR 19 HH TYR 19 20.380 1.454 0.613 146 H LEU 20 H LEU 20 22.425 1.021 6.953 147 HA LEU 20 HA LEU 20 24.119 1.678 4.627 148 1HB LEU 20 1HB LEU 20 23.222 3.379 6.934 149 2HB LEU 20 2HB LEU 20 24.263 3.947 5.727 150 HG LEU 20 HG LEU 20 21.441 2.967 5.366 151 1HD1 LEU 20 1HD1 LEU 20 21.480 5.527 4.297 152 2HD1 LEU 20 2HD1 LEU 20 22.752 5.648 5.563 153 3HD1 LEU 20 3HD1 LEU 20 21.098 5.149 5.985 154 1HD2 LEU 20 1HD2 LEU 20 21.747 3.739 2.906 155 2HD2 LEU 20 2HD2 LEU 20 22.749 2.326 3.280 156 3HD2 LEU 20 3HD2 LEU 20 23.473 3.940 3.266 157 H ARG 21 H ARG 21 24.539 0.818 8.005 158 HA ARG 21 HA ARG 21 27.169 1.925 8.432 159 1HB ARG 21 1HB ARG 21 25.654 1.480 10.284 160 2HB ARG 21 2HB ARG 21 25.458 -0.205 9.785 161 1HG ARG 21 1HG ARG 21 28.160 -0.243 10.104 162 2HG ARG 21 2HG ARG 21 27.802 1.000 11.276 163 1HD ARG 21 1HD ARG 21 26.618 -1.833 11.173 164 2HD ARG 21 2HD ARG 21 27.756 -1.248 12.377 165 HE ARG 21 HE ARG 21 24.903 -0.823 12.379 166 1HH1 ARG 21 1HH1 ARG 21 28.018 0.424 13.383 167 2HH1 ARG 21 2HH1 ARG 21 27.441 1.329 14.746 168 1HH2 ARG 21 1HH2 ARG 21 24.048 0.339 14.166 169 2HH2 ARG 21 2HH2 ARG 21 25.083 1.237 15.222 170 H ALA 22 H ALA 22 25.818 -0.975 7.021 171 HA ALA 22 HA ALA 22 28.098 -2.698 7.041 172 1HB ALA 22 1HB ALA 22 25.765 -3.447 6.713 173 2HB ALA 22 2HB ALA 22 26.795 -3.936 5.302 174 3HB ALA 22 3HB ALA 22 25.712 -2.537 5.191 175 H LEU 23 H LEU 23 26.862 -0.219 4.728 176 HA LEU 23 HA LEU 23 28.775 -0.845 2.636 177 1HB LEU 23 1HB LEU 23 26.948 1.469 3.209 178 2HB LEU 23 2HB LEU 23 28.007 1.444 1.866 179 HG LEU 23 HG LEU 23 25.957 -0.794 2.364 180 1HD1 LEU 23 1HD1 LEU 23 24.266 0.616 1.814 181 2HD1 LEU 23 2HD1 LEU 23 25.183 1.149 0.374 182 3HD1 LEU 23 3HD1 LEU 23 25.438 1.939 1.936 183 1HD2 LEU 23 1HD2 LEU 23 27.299 -1.582 0.553 184 2HD2 LEU 23 2HD2 LEU 23 27.769 0.060 0.039 185 3HD2 LEU 23 3HD2 LEU 23 26.186 -0.532 -0.383 186 H ASP 24 H ASP 24 28.597 1.183 5.484 187 HA ASP 24 HA ASP 24 30.275 2.271 6.675 188 1HB ASP 24 1HB ASP 24 31.751 0.547 5.506 189 2HB ASP 24 2HB ASP 24 32.251 1.909 4.468 190 H VAL 25 H VAL 25 28.367 3.694 5.203 191 HA VAL 25 HA VAL 25 29.829 5.761 3.678 192 HB VAL 25 HB VAL 25 27.697 6.534 2.999 193 1HG1 VAL 25 1HG1 VAL 25 26.661 4.602 2.059 194 2HG1 VAL 25 2HG1 VAL 25 27.216 3.557 3.376 195 3HG1 VAL 25 3HG1 VAL 25 28.391 4.187 2.222 196 1HG2 VAL 25 1HG2 VAL 25 26.442 4.940 5.328 197 2HG2 VAL 25 2HG2 VAL 25 25.549 5.912 4.119 198 3HG2 VAL 25 3HG2 VAL 25 26.651 6.676 5.293 199 H ASN 26 H ASN 26 28.279 8.040 4.557 200 HA ASN 26 HA ASN 26 29.765 8.548 7.063 201 1HB ASN 26 1HB ASN 26 28.302 10.733 5.968 202 2HB ASN 26 2HB ASN 26 29.965 10.603 6.614 203 1HD2 ASN 26 1HD2 ASN 26 31.579 9.804 5.170 204 2HD2 ASN 26 2HD2 ASN 26 31.446 9.843 3.452 205 H VAL 27 H VAL 27 28.821 10.074 8.653 206 HA VAL 27 HA VAL 27 26.419 8.991 9.884 207 HB VAL 27 HB VAL 27 26.816 10.427 11.692 208 1HG1 VAL 27 1HG1 VAL 27 28.457 8.478 11.235 209 2HG1 VAL 27 2HG1 VAL 27 29.062 9.745 12.318 210 3HG1 VAL 27 3HG1 VAL 27 29.630 9.677 10.646 211 1HG2 VAL 27 1HG2 VAL 27 28.417 12.023 9.652 212 2HG2 VAL 27 2HG2 VAL 27 28.837 12.175 11.364 213 3HG2 VAL 27 3HG2 VAL 27 27.197 12.549 10.860 214 H ALA 28 H ALA 28 27.242 11.956 8.050 215 HA ALA 28 HA ALA 28 24.856 13.346 8.716 216 1HB ALA 28 1HB ALA 28 27.084 14.275 7.870 217 2HB ALA 28 2HB ALA 28 25.563 14.993 7.231 218 3HB ALA 28 3HB ALA 28 26.533 13.812 6.251 219 H LEU 29 H LEU 29 25.806 11.065 6.202 220 HA LEU 29 HA LEU 29 23.486 11.488 4.499 221 1HB LEU 29 1HB LEU 29 25.726 10.623 3.745 222 2HB LEU 29 2HB LEU 29 25.488 9.260 4.761 223 HG LEU 29 HG LEU 29 25.053 8.694 2.369 224 1HD1 LEU 29 1HD1 LEU 29 23.411 7.820 4.351 225 2HD1 LEU 29 2HD1 LEU 29 23.237 7.355 2.651 226 3HD1 LEU 29 3HD1 LEU 29 22.242 8.666 3.304 227 1HD2 LEU 29 1HD2 LEU 29 22.754 9.826 1.524 228 2HD2 LEU 29 2HD2 LEU 29 24.323 10.508 1.146 229 3HD2 LEU 29 3HD2 LEU 29 23.374 11.182 2.502 230 H ARG 30 H ARG 30 24.407 9.115 7.012 231 HA ARG 30 HA ARG 30 22.254 7.304 6.712 232 1HB ARG 30 1HB ARG 30 24.562 7.411 8.105 233 2HB ARG 30 2HB ARG 30 23.384 7.740 9.408 234 1HG ARG 30 1HG ARG 30 22.134 5.676 8.776 235 2HG ARG 30 2HG ARG 30 23.254 5.403 7.476 236 1HD ARG 30 1HD ARG 30 23.485 4.180 9.824 237 2HD ARG 30 2HD ARG 30 24.921 4.611 8.891 238 HE ARG 30 HE ARG 30 25.488 6.273 10.399 239 1HH1 ARG 30 1HH1 ARG 30 22.342 4.951 11.258 240 2HH1 ARG 30 2HH1 ARG 30 22.293 5.650 12.827 241 1HH2 ARG 30 1HH2 ARG 30 25.419 7.279 12.500 242 2HH2 ARG 30 2HH2 ARG 30 24.017 6.967 13.504 243 H LYS 31 H LYS 31 22.460 10.396 8.401 244 HA LYS 31 HA LYS 31 20.064 10.042 10.053 245 1HB LYS 31 1HB LYS 31 22.130 11.991 9.579 246 2HB LYS 31 2HB LYS 31 20.497 12.742 9.557 247 1HG LYS 31 1HG LYS 31 20.276 12.533 11.864 248 2HG LYS 31 2HG LYS 31 20.912 10.860 11.805 249 1HD LYS 31 1HD LYS 31 23.138 11.603 11.778 250 2HD LYS 31 2HD LYS 31 22.700 13.307 11.490 251 1HE LYS 31 1HE LYS 31 21.980 11.834 14.089 252 2HE LYS 31 2HE LYS 31 23.420 12.850 13.841 253 1HZ LYS 31 1HZ LYS 31 20.776 13.964 13.253 254 2HZ LYS 31 2HZ LYS 31 22.205 14.781 13.723 255 3HZ LYS 31 3HZ LYS 31 21.303 13.893 14.825 256 H ILE 32 H ILE 32 21.032 11.543 6.975 257 HA ILE 32 HA ILE 32 18.584 12.823 6.293 258 HB ILE 32 HB ILE 32 21.015 11.916 4.810 259 1HG1 ILE 32 1HG1 ILE 32 21.283 14.059 5.821 260 2HG1 ILE 32 2HG1 ILE 32 21.019 14.378 4.140 261 1HG2 ILE 32 1HG2 ILE 32 18.372 12.501 3.524 262 2HG2 ILE 32 2HG2 ILE 32 19.608 11.358 2.994 263 3HG2 ILE 32 3HG2 ILE 32 19.775 13.119 2.697 264 1HD1 ILE 32 1HD1 ILE 32 19.031 14.796 6.412 265 2HD1 ILE 32 2HD1 ILE 32 18.504 14.823 4.705 266 3HD1 ILE 32 3HD1 ILE 32 19.657 16.019 5.321 267 H ALA 33 H ALA 33 19.860 9.569 5.587 268 HA ALA 33 HA ALA 33 17.594 8.937 3.874 269 1HB ALA 33 1HB ALA 33 20.071 7.786 4.188 270 2HB ALA 33 2HB ALA 33 18.672 6.997 3.343 271 3HB ALA 33 3HB ALA 33 18.995 6.631 5.053 272 H ASN 34 H ASN 34 18.462 8.038 7.277 273 HA ASN 34 HA ASN 34 15.977 6.606 7.726 274 1HB ASN 34 1HB ASN 34 16.899 6.029 9.617 275 2HB ASN 34 2HB ASN 34 18.280 7.130 9.197 276 1HD2 ASN 34 1HD2 ASN 34 17.817 9.570 9.845 277 2HD2 ASN 34 2HD2 ASN 34 16.976 9.777 11.379 278 H LEU 35 H LEU 35 14.427 7.579 9.560 279 HA LEU 35 HA LEU 35 13.178 9.328 10.428 280 1HB LEU 35 1HB LEU 35 15.321 10.615 9.763 281 2HB LEU 35 2HB LEU 35 14.238 11.379 8.579 282 HG LEU 35 HG LEU 35 13.324 11.047 11.420 283 1HD1 LEU 35 1HD1 LEU 35 14.709 12.915 12.240 284 2HD1 LEU 35 2HD1 LEU 35 15.329 13.281 10.624 285 3HD1 LEU 35 3HD1 LEU 35 15.811 11.788 11.425 286 1HD2 LEU 35 1HD2 LEU 35 11.737 12.402 10.354 287 2HD2 LEU 35 2HD2 LEU 35 12.791 12.823 9.002 288 3HD2 LEU 35 3HD2 LEU 35 12.915 13.729 10.519 289 H LEU 36 H LEU 36 13.792 9.483 6.914 290 HA LEU 36 HA LEU 36 11.113 10.405 6.289 291 1HB LEU 36 1HB LEU 36 13.264 9.278 4.450 292 2HB LEU 36 2HB LEU 36 11.894 10.073 3.876 293 HG LEU 36 HG LEU 36 14.258 11.267 5.251 294 1HD1 LEU 36 1HD1 LEU 36 13.150 11.144 2.464 295 2HD1 LEU 36 2HD1 LEU 36 14.829 11.248 2.953 296 3HD1 LEU 36 3HD1 LEU 36 13.798 12.709 2.913 297 1HD2 LEU 36 1HD2 LEU 36 12.345 12.631 6.138 298 2HD2 LEU 36 2HD2 LEU 36 11.603 12.599 4.531 299 3HD2 LEU 36 3HD2 LEU 36 13.062 13.565 4.812 300 H LYS 37 H LYS 37 9.676 9.322 4.968 301 HA LYS 37 HA LYS 37 9.876 6.319 4.886 302 1HB LYS 37 1HB LYS 37 7.375 8.025 5.400 303 2HB LYS 37 2HB LYS 37 7.454 6.279 5.267 304 1HG LYS 37 1HG LYS 37 9.290 6.667 7.308 305 2HG LYS 37 2HG LYS 37 8.227 8.024 7.615 306 1HD LYS 37 1HD LYS 37 6.453 6.610 8.144 307 2HD LYS 37 2HD LYS 37 6.887 5.352 7.010 308 1HE LYS 37 1HE LYS 37 9.086 5.232 8.675 309 2HE LYS 37 2HE LYS 37 7.772 5.637 9.836 310 1HZ LYS 37 1HZ LYS 37 6.480 3.722 8.742 311 2HZ LYS 37 2HZ LYS 37 7.733 3.378 9.789 312 3HZ LYS 37 3HZ LYS 37 7.977 3.273 8.108 313 HA PRO 38 HA PRO 38 9.571 7.940 0.609 314 1HB PRO 38 1HB PRO 38 10.270 5.077 0.095 315 2HB PRO 38 2HB PRO 38 10.921 6.575 -0.574 316 1HG PRO 38 1HG PRO 38 12.359 5.236 1.217 317 2HG PRO 38 2HG PRO 38 12.279 7.053 1.302 318 1HD PRO 38 1HD PRO 38 10.674 4.918 2.791 319 2HD PRO 38 2HD PRO 38 11.553 6.338 3.470 320 H ASP 39 H ASP 39 8.834 6.605 -1.409 321 HA ASP 39 HA ASP 39 6.308 5.095 -0.909 322 1HB ASP 39 1HB ASP 39 5.788 6.607 -3.155 323 2HB ASP 39 2HB ASP 39 5.136 6.938 -1.532 324 H LYS 40 H LYS 40 5.583 4.205 -3.217 325 HA LYS 40 HA LYS 40 7.906 4.074 -5.078 326 1HB LYS 40 1HB LYS 40 7.953 2.283 -3.197 327 2HB LYS 40 2HB LYS 40 6.710 1.454 -4.152 328 1HG LYS 40 1HG LYS 40 8.728 0.512 -4.984 329 2HG LYS 40 2HG LYS 40 8.300 1.745 -6.187 330 1HD LYS 40 1HD LYS 40 10.164 3.015 -5.660 331 2HD LYS 40 2HD LYS 40 9.904 2.890 -3.939 332 1HE LYS 40 1HE LYS 40 10.953 0.409 -5.350 333 2HE LYS 40 2HE LYS 40 12.031 1.736 -4.951 334 1HZ LYS 40 1HZ LYS 40 10.558 0.046 -3.101 335 2HZ LYS 40 2HZ LYS 40 10.997 1.590 -2.641 336 3HZ LYS 40 3HZ LYS 40 12.192 0.470 -3.087 337 H GLU 41 H GLU 41 6.663 5.099 -6.553 338 HA GLU 41 HA GLU 41 4.101 3.964 -7.502 339 1HB GLU 41 1HB GLU 41 4.654 6.453 -7.296 340 2HB GLU 41 2HB GLU 41 5.879 6.219 -8.597 341 1HG GLU 41 1HG GLU 41 3.199 5.192 -9.265 342 2HG GLU 41 2HG GLU 41 3.111 6.873 -8.833 343 H ILE 42 H ILE 42 4.066 2.817 -9.541 344 HA ILE 42 HA ILE 42 6.761 2.422 -10.845 345 HB ILE 42 HB ILE 42 4.667 0.222 -10.597 346 1HG1 ILE 42 1HG1 ILE 42 5.743 0.892 -8.366 347 2HG1 ILE 42 2HG1 ILE 42 5.810 -0.797 -8.845 348 1HG2 ILE 42 1HG2 ILE 42 7.590 0.493 -11.663 349 2HG2 ILE 42 2HG2 ILE 42 6.179 -0.180 -12.497 350 3HG2 ILE 42 3HG2 ILE 42 6.942 -1.056 -11.134 351 1HD1 ILE 42 1HD1 ILE 42 8.041 1.313 -9.114 352 2HD1 ILE 42 2HD1 ILE 42 8.208 -0.329 -9.708 353 3HD1 ILE 42 3HD1 ILE 42 8.012 -0.037 -7.942 354 H VAL 43 H VAL 43 6.730 2.130 -13.068 355 HA VAL 43 HA VAL 43 4.095 2.314 -14.431 356 HB VAL 43 HB VAL 43 6.082 4.592 -14.477 357 1HG1 VAL 43 1HG1 VAL 43 3.894 4.936 -16.456 358 2HG1 VAL 43 2HG1 VAL 43 4.856 3.517 -16.837 359 3HG1 VAL 43 3HG1 VAL 43 5.650 5.088 -16.663 360 1HG2 VAL 43 1HG2 VAL 43 3.087 4.217 -13.903 361 2HG2 VAL 43 2HG2 VAL 43 3.747 5.834 -14.291 362 3HG2 VAL 43 3HG2 VAL 43 4.310 4.954 -12.868 363 H GLN 44 H GLN 44 4.333 1.169 -16.339 364 HA GLN 44 HA GLN 44 7.041 0.855 -17.487 365 1HB GLN 44 1HB GLN 44 5.449 -1.153 -16.089 366 2HB GLN 44 2HB GLN 44 5.715 -1.704 -17.707 367 1HG GLN 44 1HG GLN 44 8.235 -1.281 -17.429 368 2HG GLN 44 2HG GLN 44 7.974 -0.869 -15.766 369 1HE2 GLN 44 1HE2 GLN 44 7.823 -2.617 -14.260 370 2HE2 GLN 44 2HE2 GLN 44 7.748 -4.282 -14.664 371 H ASP 45 H ASP 45 6.903 1.039 -19.612 372 HA ASP 45 HA ASP 45 4.347 1.371 -20.982 373 1HB ASP 45 1HB ASP 45 6.279 3.048 -21.142 374 2HB ASP 45 2HB ASP 45 7.312 1.745 -21.796 375 H GLY 46 H GLY 46 6.537 -1.043 -20.245 376 1HA GLY 46 1HA GLY 46 5.510 -3.231 -21.226 377 2HA GLY 46 2HA GLY 46 6.220 -2.536 -22.771 378 H ASP 47 H ASP 47 8.462 -2.592 -23.008 379 HA ASP 47 HA ASP 47 9.937 -4.356 -21.074 380 1HB ASP 47 1HB ASP 47 11.645 -3.594 -23.103 381 2HB ASP 47 2HB ASP 47 10.937 -5.201 -22.740 382 H HIS 48 H HIS 48 9.626 -1.071 -22.021 383 HA HIS 48 HA HIS 48 12.186 -0.272 -20.737 384 1HB HIS 48 1HB HIS 48 10.628 0.941 -22.666 385 2HB HIS 48 2HB HIS 48 10.156 1.849 -21.250 386 HD1 HIS 48 HD1 HIS 48 11.702 3.502 -23.270 387 HD2 HIS 48 HD2 HIS 48 13.601 1.119 -20.339 388 HE1 HIS 48 HE1 HIS 48 14.000 4.459 -23.016 389 HE2 HIS 48 HE2 HIS 48 15.151 3.000 -21.241 390 H MET 49 H MET 49 12.243 -0.274 -18.592 391 HA MET 49 HA MET 49 9.673 0.080 -17.121 392 1HB MET 49 1HB MET 49 10.821 -1.957 -16.658 393 2HB MET 49 2HB MET 49 12.306 -1.097 -16.334 394 1HG MET 49 1HG MET 49 11.436 -0.110 -14.294 395 2HG MET 49 2HG MET 49 9.774 -0.660 -14.709 396 1HE MET 49 1HE MET 49 13.352 -2.181 -14.838 397 2HE MET 49 2HE MET 49 13.265 -3.580 -13.697 398 3HE MET 49 3HE MET 49 13.295 -1.929 -13.043 399 H ILE 50 H ILE 50 9.410 1.567 -15.377 400 HA ILE 50 HA ILE 50 11.645 3.508 -15.024 401 HB ILE 50 HB ILE 50 8.703 4.268 -15.399 402 1HG1 ILE 50 1HG1 ILE 50 11.006 4.504 -17.347 403 2HG1 ILE 50 2HG1 ILE 50 9.681 3.338 -17.432 404 1HG2 ILE 50 1HG2 ILE 50 10.933 6.246 -15.796 405 2HG2 ILE 50 2HG2 ILE 50 10.731 5.752 -14.120 406 3HG2 ILE 50 3HG2 ILE 50 9.367 6.460 -14.953 407 1HD1 ILE 50 1HD1 ILE 50 8.801 6.198 -17.292 408 2HD1 ILE 50 2HD1 ILE 50 8.168 4.811 -18.242 409 3HD1 ILE 50 3HD1 ILE 50 9.592 5.739 -18.782 410 H ILE 51 H ILE 51 12.020 3.368 -12.791 411 HA ILE 51 HA ILE 51 9.644 2.746 -11.020 412 HB ILE 51 HB ILE 51 12.552 2.125 -10.781 413 1HG1 ILE 51 1HG1 ILE 51 11.641 0.062 -9.714 414 2HG1 ILE 51 2HG1 ILE 51 10.051 0.676 -9.743 415 1HG2 ILE 51 1HG2 ILE 51 12.395 3.385 -8.643 416 2HG2 ILE 51 2HG2 ILE 51 11.990 1.768 -8.138 417 3HG2 ILE 51 3HG2 ILE 51 10.691 2.949 -8.476 418 1HD1 ILE 51 1HD1 ILE 51 11.638 0.345 -12.397 419 2HD1 ILE 51 2HD1 ILE 51 9.891 0.455 -12.182 420 3HD1 ILE 51 3HD1 ILE 51 10.753 -0.990 -11.626 421 H ARG 52 H ARG 52 8.880 4.377 -9.810 422 HA ARG 52 HA ARG 52 10.611 6.785 -9.644 423 1HB ARG 52 1HB ARG 52 7.626 6.516 -9.806 424 2HB ARG 52 2HB ARG 52 8.408 8.022 -9.381 425 1HG ARG 52 1HG ARG 52 9.740 7.940 -11.566 426 2HG ARG 52 2HG ARG 52 8.714 6.578 -12.057 427 1HD ARG 52 1HD ARG 52 6.780 7.803 -12.208 428 2HD ARG 52 2HD ARG 52 7.332 9.123 -11.180 429 HE ARG 52 HE ARG 52 9.152 9.064 -13.290 430 1HH1 ARG 52 1HH1 ARG 52 5.665 9.364 -13.064 431 2HH1 ARG 52 2HH1 ARG 52 5.525 10.307 -14.514 432 1HH2 ARG 52 1HH2 ARG 52 9.031 10.281 -15.199 433 2HH2 ARG 52 2HH2 ARG 52 7.495 10.812 -15.741 434 H THR 53 H THR 53 10.916 7.707 -7.698 435 HA THR 53 HA THR 53 9.415 6.688 -5.305 436 HB THR 53 HB THR 53 12.464 6.902 -5.654 437 HG1 THR 53 HG1 THR 53 12.034 4.854 -4.412 438 1HG2 THR 53 1HG2 THR 53 12.033 6.227 -2.924 439 2HG2 THR 53 2HG2 THR 53 10.666 7.315 -3.211 440 3HG2 THR 53 3HG2 THR 53 12.345 7.883 -3.378 441 H LEU 54 H LEU 54 8.769 8.353 -4.151 442 HA LEU 54 HA LEU 54 9.550 11.145 -4.995 443 1HB LEU 54 1HB LEU 54 6.868 10.040 -4.315 444 2HB LEU 54 2HB LEU 54 7.279 11.739 -4.501 445 HG LEU 54 HG LEU 54 8.346 10.739 -6.815 446 1HD1 LEU 54 1HD1 LEU 54 6.418 9.028 -7.556 447 2HD1 LEU 54 2HD1 LEU 54 6.361 8.698 -5.812 448 3HD1 LEU 54 3HD1 LEU 54 7.857 8.438 -6.706 449 1HD2 LEU 54 1HD2 LEU 54 5.583 10.992 -7.470 450 2HD2 LEU 54 2HD2 LEU 54 6.765 12.294 -7.504 451 3HD2 LEU 54 3HD2 LEU 54 5.786 12.000 -6.033 452 H SER 55 H SER 55 10.980 10.588 -2.914 453 HA SER 55 HA SER 55 9.602 11.175 -0.368 454 1HB SER 55 1HB SER 55 12.432 10.513 -1.207 455 2HB SER 55 2HB SER 55 12.203 11.445 0.285 456 HG SER 55 HG SER 55 12.002 9.446 0.993 457 H THR 56 H THR 56 10.071 13.256 0.812 458 HA THR 56 HA THR 56 10.111 15.531 -1.003 459 HB THR 56 HB THR 56 10.861 16.704 1.350 460 HG1 THR 56 HG1 THR 56 10.439 15.495 2.998 461 1HG2 THR 56 1HG2 THR 56 8.668 16.685 -0.250 462 2HG2 THR 56 2HG2 THR 56 8.664 17.473 1.359 463 3HG2 THR 56 3HG2 THR 56 7.941 15.888 1.186 464 H PHE 57 H PHE 57 12.471 13.654 0.700 465 HA PHE 57 HA PHE 57 14.691 15.415 -0.335 466 1HB PHE 57 1HB PHE 57 14.278 14.598 2.239 467 2HB PHE 57 2HB PHE 57 15.208 13.208 1.632 468 HD1 PHE 57 HD1 PHE 57 15.311 16.677 2.802 469 HD2 PHE 57 HD2 PHE 57 17.637 13.670 0.711 470 HE1 PHE 57 HE1 PHE 57 17.379 17.979 3.175 471 HE2 PHE 57 HE2 PHE 57 19.644 14.975 1.115 472 HZ PHE 57 HZ PHE 57 19.529 17.188 2.373 473 H ARG 58 H ARG 58 15.752 14.612 -2.007 474 HA ARG 58 HA ARG 58 16.575 13.197 -3.591 475 1HB ARG 58 1HB ARG 58 16.638 11.561 -1.088 476 2HB ARG 58 2HB ARG 58 17.287 10.925 -2.623 477 1HG ARG 58 1HG ARG 58 18.816 12.875 -2.766 478 2HG ARG 58 2HG ARG 58 18.286 13.371 -1.127 479 1HD ARG 58 1HD ARG 58 20.309 11.480 -1.928 480 2HD ARG 58 2HD ARG 58 19.899 11.988 -0.302 481 HE ARG 58 HE ARG 58 19.106 9.548 -1.709 482 1HH1 ARG 58 1HH1 ARG 58 18.235 11.605 1.005 483 2HH1 ARG 58 2HH1 ARG 58 17.380 10.331 1.857 484 1HH2 ARG 58 1HH2 ARG 58 18.050 7.965 -0.692 485 2HH2 ARG 58 2HH2 ARG 58 17.281 8.242 0.843 486 H ASN 59 H ASN 59 14.723 13.036 -4.885 487 HA ASN 59 HA ASN 59 12.497 11.291 -4.491 488 1HB ASN 59 1HB ASN 59 13.772 12.334 -7.073 489 2HB ASN 59 2HB ASN 59 12.245 11.380 -6.994 490 1HD2 ASN 59 1HD2 ASN 59 11.195 13.160 -8.003 491 2HD2 ASN 59 2HD2 ASN 59 10.762 14.548 -7.019 492 H TYR 60 H TYR 60 15.420 10.801 -6.417 493 HA TYR 60 HA TYR 60 16.654 9.037 -6.984 494 1HB TYR 60 1HB TYR 60 15.633 8.156 -4.569 495 2HB TYR 60 2HB TYR 60 15.090 6.869 -5.726 496 HD1 TYR 60 HD1 TYR 60 18.167 8.692 -4.558 497 HD2 TYR 60 HD2 TYR 60 16.645 5.227 -6.577 498 HE1 TYR 60 HE1 TYR 60 20.355 7.719 -4.610 499 HE2 TYR 60 HE2 TYR 60 18.863 4.233 -6.628 500 HH TYR 60 HH TYR 60 21.158 4.937 -6.456 501 H ILE 61 H ILE 61 15.912 9.427 -9.076 502 HA ILE 61 HA ILE 61 13.546 7.788 -10.005 503 HB ILE 61 HB ILE 61 14.851 10.278 -10.988 504 1HG1 ILE 61 1HG1 ILE 61 12.364 10.764 -11.475 505 2HG1 ILE 61 2HG1 ILE 61 11.984 9.264 -10.724 506 1HG2 ILE 61 1HG2 ILE 61 13.406 8.158 -12.618 507 2HG2 ILE 61 2HG2 ILE 61 14.967 8.875 -12.999 508 3HG2 ILE 61 3HG2 ILE 61 13.518 9.853 -13.188 509 1HD1 ILE 61 1HD1 ILE 61 13.523 11.357 -9.046 510 2HD1 ILE 61 2HD1 ILE 61 12.471 10.045 -8.482 511 3HD1 ILE 61 3HD1 ILE 61 11.787 11.488 -9.278 512 H MET 62 H MET 62 13.852 6.101 -11.371 513 HA MET 62 HA MET 62 16.564 5.799 -12.597 514 1HB MET 62 1HB MET 62 14.676 3.501 -11.897 515 2HB MET 62 2HB MET 62 16.381 3.388 -12.400 516 1HG MET 62 1HG MET 62 17.075 4.452 -10.250 517 2HG MET 62 2HG MET 62 15.406 4.287 -9.652 518 1HE MET 62 1HE MET 62 14.454 1.806 -8.835 519 2HE MET 62 2HE MET 62 15.551 2.746 -7.810 520 3HE MET 62 3HE MET 62 15.789 0.961 -7.990 521 H ASP 63 H ASP 63 16.442 4.295 -14.454 522 HA ASP 63 HA ASP 63 13.894 4.091 -15.952 523 1HB ASP 63 1HB ASP 63 16.462 5.661 -16.649 524 2HB ASP 63 2HB ASP 63 15.545 4.925 -17.961 525 H PHE 64 H PHE 64 14.125 2.007 -15.446 526 HA PHE 64 HA PHE 64 16.637 0.619 -16.299 527 1HB PHE 64 1HB PHE 64 14.396 0.094 -14.377 528 2HB PHE 64 2HB PHE 64 15.147 -1.294 -15.169 529 HD1 PHE 64 HD1 PHE 64 15.901 -1.881 -12.758 530 HD2 PHE 64 HD2 PHE 64 17.328 1.634 -14.687 531 HE1 PHE 64 HE1 PHE 64 17.719 -1.740 -11.097 532 HE2 PHE 64 HE2 PHE 64 19.130 1.796 -13.078 533 HZ PHE 64 HZ PHE 64 19.375 0.092 -11.226 534 H GLN 65 H GLN 65 16.600 -1.258 -17.334 535 HA GLN 65 HA GLN 65 14.331 -1.677 -19.296 536 1HB GLN 65 1HB GLN 65 17.333 -1.597 -19.610 537 2HB GLN 65 2HB GLN 65 16.452 -2.743 -20.616 538 1HG GLN 65 1HG GLN 65 15.027 -0.320 -20.975 539 2HG GLN 65 2HG GLN 65 16.647 0.286 -20.761 540 1HE2 GLN 65 1HE2 GLN 65 14.891 -2.232 -22.633 541 2HE2 GLN 65 2HE2 GLN 65 15.900 -2.142 -24.047 542 H VAL 66 H VAL 66 13.328 -3.313 -18.426 543 HA VAL 66 HA VAL 66 14.396 -5.375 -16.752 544 HB VAL 66 HB VAL 66 11.949 -4.971 -18.427 545 1HG1 VAL 66 1HG1 VAL 66 11.957 -7.207 -18.964 546 2HG1 VAL 66 2HG1 VAL 66 11.177 -7.310 -17.367 547 3HG1 VAL 66 3HG1 VAL 66 12.874 -7.684 -17.532 548 1HG2 VAL 66 1HG2 VAL 66 12.703 -5.041 -15.511 549 2HG2 VAL 66 2HG2 VAL 66 11.104 -5.799 -15.826 550 3HG2 VAL 66 3HG2 VAL 66 11.378 -4.122 -16.247 551 H GLY 67 H GLY 67 15.922 -6.727 -17.289 552 1HA GLY 67 1HA GLY 67 16.476 -8.791 -18.390 553 2HA GLY 67 2HA GLY 67 15.718 -8.245 -19.857 554 H LYS 68 H LYS 68 17.883 -5.962 -18.223 555 HA LYS 68 HA LYS 68 19.988 -6.690 -20.235 556 1HB LYS 68 1HB LYS 68 18.499 -4.913 -21.127 557 2HB LYS 68 2HB LYS 68 19.084 -3.895 -19.816 558 1HG LYS 68 1HG LYS 68 21.277 -3.765 -20.675 559 2HG LYS 68 2HG LYS 68 21.085 -5.175 -21.715 560 1HD LYS 68 1HD LYS 68 19.590 -3.963 -23.176 561 2HD LYS 68 2HD LYS 68 19.440 -2.578 -22.051 562 1HE LYS 68 1HE LYS 68 22.269 -3.058 -22.616 563 2HE LYS 68 2HE LYS 68 21.409 -2.965 -24.171 564 1HZ LYS 68 1HZ LYS 68 21.896 -0.853 -23.706 565 2HZ LYS 68 2HZ LYS 68 21.767 -1.020 -22.039 566 3HZ LYS 68 3HZ LYS 68 20.355 -0.859 -22.970 567 H GLU 69 H GLU 69 22.141 -5.722 -19.814 568 HA GLU 69 HA GLU 69 22.732 -5.505 -16.972 569 1HB GLU 69 1HB GLU 69 24.270 -6.693 -18.252 570 2HB GLU 69 2HB GLU 69 24.288 -5.494 -19.547 571 1HG GLU 69 1HG GLU 69 25.243 -4.367 -16.964 572 2HG GLU 69 2HG GLU 69 26.107 -5.826 -17.377 573 H PHE 70 H PHE 70 23.434 -3.624 -15.916 574 HA PHE 70 HA PHE 70 23.342 -1.040 -17.510 575 1HB PHE 70 1HB PHE 70 21.198 -1.960 -16.071 576 2HB PHE 70 2HB PHE 70 21.967 -0.839 -14.952 577 HD1 PHE 70 HD1 PHE 70 21.270 -0.958 -18.673 578 HD2 PHE 70 HD2 PHE 70 21.143 1.255 -15.006 579 HE1 PHE 70 HE1 PHE 70 20.245 1.005 -19.895 580 HE2 PHE 70 HE2 PHE 70 20.111 3.238 -16.197 581 HZ PHE 70 HZ PHE 70 19.696 3.055 -18.615 582 H GLU 71 H GLU 71 25.537 -0.659 -17.129 583 HA GLU 71 HA GLU 71 26.853 -0.857 -14.561 584 1HB GLU 71 1HB GLU 71 27.678 -0.545 -17.134 585 2HB GLU 71 2HB GLU 71 27.833 1.142 -16.567 586 1HG GLU 71 1HG GLU 71 29.150 0.051 -14.516 587 2HG GLU 71 2HG GLU 71 29.190 -1.372 -15.525 588 H GLU 72 H GLU 72 25.865 0.285 -12.979 589 HA GLU 72 HA GLU 72 24.558 2.823 -13.419 590 1HB GLU 72 1HB GLU 72 24.860 0.947 -11.262 591 2HB GLU 72 2HB GLU 72 24.914 2.620 -10.721 592 1HG GLU 72 1HG GLU 72 22.804 3.191 -11.593 593 2HG GLU 72 2HG GLU 72 22.730 1.849 -12.683 594 H ASP 73 H ASP 73 27.737 1.801 -12.140 595 HA ASP 73 HA ASP 73 29.548 2.950 -11.250 596 1HB ASP 73 1HB ASP 73 30.291 4.887 -12.642 597 2HB ASP 73 2HB ASP 73 30.091 3.309 -13.478 598 H LEU 74 H LEU 74 28.160 3.420 -9.394 599 HA LEU 74 HA LEU 74 27.225 6.251 -9.212 600 1HB LEU 74 1HB LEU 74 27.016 4.121 -7.169 601 2HB LEU 74 2HB LEU 74 26.192 5.706 -7.249 602 HG LEU 74 HG LEU 74 25.870 3.838 -9.583 603 1HD1 LEU 74 1HD1 LEU 74 25.773 2.306 -7.566 604 2HD1 LEU 74 2HD1 LEU 74 24.219 2.373 -8.430 605 3HD1 LEU 74 3HD1 LEU 74 24.428 3.263 -6.924 606 1HD2 LEU 74 1HD2 LEU 74 24.566 5.814 -9.800 607 2HD2 LEU 74 2HD2 LEU 74 24.307 5.897 -8.059 608 3HD2 LEU 74 3HD2 LEU 74 23.369 4.768 -9.087 609 H THR 75 H THR 75 28.330 7.797 -8.371 610 HA THR 75 HA THR 75 30.497 7.156 -6.373 611 HB THR 75 HB THR 75 31.667 9.235 -7.215 612 HG1 THR 75 HG1 THR 75 30.725 9.428 -9.599 613 1HG2 THR 75 1HG2 THR 75 32.676 8.077 -9.134 614 2HG2 THR 75 2HG2 THR 75 31.203 7.132 -9.457 615 3HG2 THR 75 3HG2 THR 75 32.219 6.775 -8.035 616 H GLY 76 H GLY 76 27.755 7.458 -5.836 617 1HA GLY 76 1HA GLY 76 27.782 9.868 -4.141 618 2HA GLY 76 2HA GLY 76 26.560 9.850 -5.453 619 H ILE 77 H ILE 77 25.858 9.956 -2.777 620 HA ILE 77 HA ILE 77 24.479 9.044 -1.224 621 HB ILE 77 HB ILE 77 23.978 6.686 -3.055 622 1HG1 ILE 77 1HG1 ILE 77 23.726 8.374 -4.706 623 2HG1 ILE 77 2HG1 ILE 77 22.129 8.147 -4.061 624 1HG2 ILE 77 1HG2 ILE 77 22.685 8.073 -0.759 625 2HG2 ILE 77 2HG2 ILE 77 22.401 6.411 -1.347 626 3HG2 ILE 77 3HG2 ILE 77 21.513 7.813 -2.028 627 1HD1 ILE 77 1HD1 ILE 77 22.157 10.444 -3.899 628 2HD1 ILE 77 2HD1 ILE 77 23.922 10.554 -3.737 629 3HD1 ILE 77 3HD1 ILE 77 22.911 10.106 -2.343 630 H ASP 78 H ASP 78 25.825 5.981 -2.714 631 HA ASP 78 HA ASP 78 27.392 5.598 -0.195 632 1HB ASP 78 1HB ASP 78 26.658 3.284 -0.150 633 2HB ASP 78 2HB ASP 78 25.403 4.494 0.277 634 H ASP 79 H ASP 79 28.121 6.533 -2.730 635 HA ASP 79 HA ASP 79 29.183 5.837 -4.851 636 1HB ASP 79 1HB ASP 79 31.599 5.610 -3.376 637 2HB ASP 79 2HB ASP 79 30.962 6.816 -4.485 638 H ARG 80 H ARG 80 28.528 3.726 -5.581 639 HA ARG 80 HA ARG 80 30.590 1.661 -4.979 640 1HB ARG 80 1HB ARG 80 28.293 1.382 -3.829 641 2HB ARG 80 2HB ARG 80 27.801 0.707 -5.396 642 1HG ARG 80 1HG ARG 80 28.710 -1.272 -4.671 643 2HG ARG 80 2HG ARG 80 30.269 -0.522 -4.917 644 1HD ARG 80 1HD ARG 80 28.795 -0.187 -2.277 645 2HD ARG 80 2HD ARG 80 29.722 -1.656 -2.604 646 HE ARG 80 HE ARG 80 30.728 1.113 -2.400 647 1HH1 ARG 80 1HH1 ARG 80 31.554 -2.317 -2.993 648 2HH1 ARG 80 2HH1 ARG 80 33.263 -1.990 -2.767 649 1HH2 ARG 80 1HH2 ARG 80 33.005 1.402 -2.082 650 2HH2 ARG 80 2HH2 ARG 80 34.028 0.020 -2.269 651 H LYS 81 H LYS 81 31.550 1.381 -6.823 652 HA LYS 81 HA LYS 81 30.263 1.771 -9.459 653 1HB LYS 81 1HB LYS 81 32.416 1.130 -10.362 654 2HB LYS 81 2HB LYS 81 32.665 2.312 -9.081 655 1HG LYS 81 1HG LYS 81 33.174 0.303 -7.537 656 2HG LYS 81 2HG LYS 81 33.253 -0.695 -9.044 657 1HD LYS 81 1HD LYS 81 34.891 1.512 -9.664 658 2HD LYS 81 2HD LYS 81 35.056 1.406 -7.914 659 1HE LYS 81 1HE LYS 81 36.293 -0.563 -7.937 660 2HE LYS 81 2HE LYS 81 35.377 -1.217 -9.339 661 1HZ LYS 81 1HZ LYS 81 37.033 -0.617 -10.645 662 2HZ LYS 81 2HZ LYS 81 37.874 0.025 -9.317 663 3HZ LYS 81 3HZ LYS 81 36.830 0.982 -10.221 664 H CYS 82 H CYS 82 29.011 0.191 -10.302 665 HA CYS 82 HA CYS 82 29.792 -2.605 -9.926 666 1HB CYS 82 1HB CYS 82 27.521 -3.238 -9.112 667 2HB CYS 82 2HB CYS 82 28.223 -2.083 -7.999 668 HG CYS 82 HG CYS 82 27.032 0.000 -9.556 669 H MET 83 H MET 83 27.866 -3.891 -11.012 670 HA MET 83 HA MET 83 26.892 -2.508 -13.471 671 1HB MET 83 1HB MET 83 27.594 -4.312 -14.882 672 2HB MET 83 2HB MET 83 28.938 -4.185 -13.757 673 1HG MET 83 1HG MET 83 27.766 -5.967 -12.324 674 2HG MET 83 2HG MET 83 26.646 -6.208 -13.672 675 1HE MET 83 1HE MET 83 26.858 -7.857 -15.155 676 2HE MET 83 2HE MET 83 27.699 -9.160 -14.248 677 3HE MET 83 3HE MET 83 28.270 -8.684 -15.873 678 H THR 84 H THR 84 24.811 -2.916 -13.694 679 HA THR 84 HA THR 84 23.587 -4.949 -11.820 680 HB THR 84 HB THR 84 23.049 -2.061 -12.138 681 HG1 THR 84 HG1 THR 84 24.533 -3.155 -10.663 682 1HG2 THR 84 1HG2 THR 84 21.241 -4.374 -11.315 683 2HG2 THR 84 2HG2 THR 84 20.782 -2.717 -11.828 684 3HG2 THR 84 3HG2 THR 84 21.333 -3.020 -10.151 685 H THR 85 H THR 85 22.541 -6.372 -12.743 686 HA THR 85 HA THR 85 20.995 -5.904 -15.224 687 HB THR 85 HB THR 85 21.233 -8.635 -14.109 688 HG1 THR 85 HG1 THR 85 23.120 -8.140 -13.379 689 1HG2 THR 85 1HG2 THR 85 21.790 -9.287 -16.412 690 2HG2 THR 85 2HG2 THR 85 22.465 -7.708 -16.790 691 3HG2 THR 85 3HG2 THR 85 20.705 -7.861 -16.592 692 H VAL 86 H VAL 86 18.863 -5.685 -14.886 693 HA VAL 86 HA VAL 86 17.696 -6.895 -12.399 694 HB VAL 86 HB VAL 86 16.596 -4.722 -14.241 695 1HG1 VAL 86 1HG1 VAL 86 15.424 -5.845 -11.595 696 2HG1 VAL 86 2HG1 VAL 86 14.878 -6.288 -13.197 697 3HG1 VAL 86 3HG1 VAL 86 14.675 -4.616 -12.614 698 1HG2 VAL 86 1HG2 VAL 86 16.781 -3.826 -11.515 699 2HG2 VAL 86 2HG2 VAL 86 17.690 -3.226 -12.886 700 3HG2 VAL 86 3HG2 VAL 86 18.358 -4.569 -11.919 701 H SER 87 H SER 87 16.639 -8.702 -12.712 702 HA SER 87 HA SER 87 15.385 -9.224 -15.408 703 1HB SER 87 1HB SER 87 17.626 -10.575 -14.422 704 2HB SER 87 2HB SER 87 16.278 -11.551 -13.787 705 HG SER 87 HG SER 87 17.244 -11.537 -16.181 706 H TRP 88 H TRP 88 14.347 -11.708 -14.660 707 HA TRP 88 HA TRP 88 12.541 -11.271 -12.334 708 1HB TRP 88 1HB TRP 88 10.607 -11.869 -13.873 709 2HB TRP 88 2HB TRP 88 11.263 -10.211 -13.878 710 HD1 TRP 88 HD1 TRP 88 12.876 -9.630 -16.180 711 HE1 TRP 88 HE1 TRP 88 12.594 -10.528 -18.591 712 HE3 TRP 88 HE3 TRP 88 9.883 -13.706 -15.235 713 HZ2 TRP 88 HZ2 TRP 88 11.244 -12.719 -19.943 714 HZ3 TRP 88 HZ3 TRP 88 9.154 -15.122 -17.122 715 HH2 TRP 88 HH2 TRP 88 9.848 -14.614 -19.478 716 H ASP 89 H ASP 89 12.506 -13.101 -11.323 717 HA ASP 89 HA ASP 89 13.502 -15.663 -12.449 718 1HB ASP 89 1HB ASP 89 13.948 -14.882 -10.057 719 2HB ASP 89 2HB ASP 89 12.212 -15.092 -9.707 720 H GLY 90 H GLY 90 10.600 -13.823 -11.442 721 1HA GLY 90 1HA GLY 90 8.646 -14.264 -13.031 722 2HA GLY 90 2HA GLY 90 8.806 -15.995 -12.403 723 H ASP 91 H ASP 91 6.986 -13.271 -11.907 724 HA ASP 91 HA ASP 91 5.740 -12.555 -10.164 725 1HB ASP 91 1HB ASP 91 6.372 -15.188 -8.835 726 2HB ASP 91 2HB ASP 91 4.999 -14.089 -8.514 727 H LYS 92 H LYS 92 8.798 -12.329 -10.276 728 HA LYS 92 HA LYS 92 9.087 -11.062 -7.680 729 1HB LYS 92 1HB LYS 92 10.054 -13.668 -7.799 730 2HB LYS 92 2HB LYS 92 11.429 -12.774 -8.353 731 1HG LYS 92 1HG LYS 92 11.751 -11.795 -6.263 732 2HG LYS 92 2HG LYS 92 10.043 -11.791 -5.850 733 1HD LYS 92 1HD LYS 92 11.110 -13.490 -4.406 734 2HD LYS 92 2HD LYS 92 10.117 -14.323 -5.616 735 1HE LYS 92 1HE LYS 92 12.034 -14.642 -7.078 736 2HE LYS 92 2HE LYS 92 13.135 -13.906 -5.892 737 1HZ LYS 92 1HZ LYS 92 12.387 -15.671 -4.326 738 2HZ LYS 92 2HZ LYS 92 13.135 -16.292 -5.694 739 3HZ LYS 92 3HZ LYS 92 11.453 -16.371 -5.582 740 H LEU 93 H LEU 93 10.625 -9.460 -7.770 741 HA LEU 93 HA LEU 93 11.947 -9.034 -10.436 742 1HB LEU 93 1HB LEU 93 10.140 -7.401 -8.979 743 2HB LEU 93 2HB LEU 93 11.678 -6.716 -8.580 744 HG LEU 93 HG LEU 93 12.207 -6.547 -11.100 745 1HD1 LEU 93 1HD1 LEU 93 10.405 -6.955 -12.709 746 2HD1 LEU 93 2HD1 LEU 93 9.215 -7.244 -11.422 747 3HD1 LEU 93 3HD1 LEU 93 10.523 -8.383 -11.667 748 1HD2 LEU 93 1HD2 LEU 93 10.734 -4.831 -9.460 749 2HD2 LEU 93 2HD2 LEU 93 9.634 -5.003 -10.808 750 3HD2 LEU 93 3HD2 LEU 93 11.283 -4.376 -11.097 751 H GLN 94 H GLN 94 13.709 -10.381 -9.768 752 HA GLN 94 HA GLN 94 15.286 -9.673 -7.376 753 1HB GLN 94 1HB GLN 94 15.624 -11.657 -9.564 754 2HB GLN 94 2HB GLN 94 16.877 -11.362 -8.377 755 1HG GLN 94 1HG GLN 94 15.304 -12.018 -6.587 756 2HG GLN 94 2HG GLN 94 13.976 -12.187 -7.728 757 1HE2 GLN 94 1HE2 GLN 94 16.931 -13.295 -9.229 758 2HE2 GLN 94 2HE2 GLN 94 16.752 -14.996 -8.821 759 H CYS 95 H CYS 95 17.256 -8.735 -7.375 760 HA CYS 95 HA CYS 95 18.484 -7.927 -9.935 761 1HB CYS 95 1HB CYS 95 17.639 -5.793 -9.620 762 2HB CYS 95 2HB CYS 95 17.367 -6.109 -7.878 763 HG CYS 95 HG CYS 95 18.835 -4.037 -8.085 764 H VAL 96 H VAL 96 20.696 -7.823 -9.792 765 HA VAL 96 HA VAL 96 21.976 -8.440 -7.096 766 HB VAL 96 HB VAL 96 22.275 -9.831 -9.713 767 1HG1 VAL 96 1HG1 VAL 96 24.660 -10.525 -9.042 768 2HG1 VAL 96 2HG1 VAL 96 24.597 -9.272 -7.825 769 3HG1 VAL 96 3HG1 VAL 96 24.557 -8.850 -9.561 770 1HG2 VAL 96 1HG2 VAL 96 21.377 -11.332 -8.118 771 2HG2 VAL 96 2HG2 VAL 96 21.999 -10.348 -6.796 772 3HG2 VAL 96 3HG2 VAL 96 23.102 -11.458 -7.663 773 H GLN 97 H GLN 97 23.744 -7.241 -6.647 774 HA GLN 97 HA GLN 97 24.546 -5.183 -8.675 775 1HB GLN 97 1HB GLN 97 23.916 -4.937 -5.728 776 2HB GLN 97 2HB GLN 97 25.112 -3.848 -6.411 777 1HG GLN 97 1HG GLN 97 23.468 -2.903 -8.010 778 2HG GLN 97 2HG GLN 97 22.326 -4.173 -7.565 779 1HE2 GLN 97 1HE2 GLN 97 20.894 -3.876 -5.942 780 2HE2 GLN 97 2HE2 GLN 97 20.929 -2.530 -4.838 781 H LYS 98 H LYS 98 26.491 -6.027 -9.342 782 HA LYS 98 HA LYS 98 28.373 -7.464 -7.745 783 1HB LYS 98 1HB LYS 98 29.032 -5.800 -10.111 784 2HB LYS 98 2HB LYS 98 29.929 -7.179 -9.449 785 1HG LYS 98 1HG LYS 98 27.105 -7.349 -10.689 786 2HG LYS 98 2HG LYS 98 28.644 -7.784 -11.473 787 1HD LYS 98 1HD LYS 98 28.911 -9.203 -9.211 788 2HD LYS 98 2HD LYS 98 27.125 -9.111 -9.202 789 1HE LYS 98 1HE LYS 98 26.985 -10.264 -11.287 790 2HE LYS 98 2HE LYS 98 28.682 -10.014 -11.692 791 1HZ LYS 98 1HZ LYS 98 29.282 -11.812 -10.451 792 2HZ LYS 98 2HZ LYS 98 27.680 -12.259 -10.624 793 3HZ LYS 98 3HZ LYS 98 28.159 -11.459 -9.212 794 H GLY 99 H GLY 99 29.477 -6.625 -5.947 795 1HA GLY 99 1HA GLY 99 30.925 -4.104 -6.471 796 2HA GLY 99 2HA GLY 99 29.825 -4.156 -5.062 797 H GLU 100 H GLU 100 30.665 -4.671 -3.215 798 HA GLU 100 HA GLU 100 33.281 -6.164 -3.038 799 1HB GLU 100 1HB GLU 100 33.599 -3.909 -2.779 800 2HB GLU 100 2HB GLU 100 32.322 -3.834 -1.556 801 1HG GLU 100 1HG GLU 100 34.556 -3.807 -0.474 802 2HG GLU 100 2HG GLU 100 33.653 -5.214 0.033 803 H LYS 101 H LYS 101 29.931 -6.093 -1.973 804 HA LYS 101 HA LYS 101 30.601 -7.594 0.521 805 1HB LYS 101 1HB LYS 101 27.982 -6.343 -0.237 806 2HB LYS 101 2HB LYS 101 28.461 -6.963 1.342 807 1HG LYS 101 1HG LYS 101 29.982 -4.722 -0.060 808 2HG LYS 101 2HG LYS 101 28.577 -4.356 0.935 809 1HD LYS 101 1HD LYS 101 29.615 -4.973 2.917 810 2HD LYS 101 2HD LYS 101 30.635 -6.167 2.161 811 1HE LYS 101 1HE LYS 101 32.062 -4.312 1.139 812 2HE LYS 101 2HE LYS 101 31.039 -3.149 2.093 813 1HZ LYS 101 1HZ LYS 101 33.294 -4.395 2.901 814 2HZ LYS 101 2HZ LYS 101 32.119 -5.409 3.570 815 3HZ LYS 101 3HZ LYS 101 32.127 -3.729 3.899 816 H GLU 102 H GLU 102 29.342 -9.319 1.258 817 HA GLU 102 HA GLU 102 29.022 -11.522 -0.392 818 1HB GLU 102 1HB GLU 102 27.509 -10.738 2.150 819 2HB GLU 102 2HB GLU 102 27.540 -12.366 1.447 820 1HG GLU 102 1HG GLU 102 30.204 -11.067 2.171 821 2HG GLU 102 2HG GLU 102 29.195 -11.712 3.440 822 H GLY 103 H GLY 103 26.255 -9.585 1.073 823 1HA GLY 103 1HA GLY 103 24.346 -10.822 -0.704 824 2HA GLY 103 2HA GLY 103 24.041 -9.581 0.410 825 H ARG 104 H ARG 104 24.533 -7.330 -0.174 826 HA ARG 104 HA ARG 104 24.224 -5.523 -1.616 827 1HB ARG 104 1HB ARG 104 26.589 -6.935 -2.213 828 2HB ARG 104 2HB ARG 104 25.881 -6.304 -3.721 829 1HG ARG 104 1HG ARG 104 25.905 -4.404 -1.393 830 2HG ARG 104 2HG ARG 104 27.497 -4.883 -2.008 831 1HD ARG 104 1HD ARG 104 27.198 -3.990 -4.052 832 2HD ARG 104 2HD ARG 104 25.439 -4.182 -4.056 833 HE ARG 104 HE ARG 104 26.888 -1.863 -3.067 834 1HH1 ARG 104 1HH1 ARG 104 23.800 -3.644 -2.770 835 2HH1 ARG 104 2HH1 ARG 104 22.987 -2.224 -2.223 836 1HH2 ARG 104 1HH2 ARG 104 25.749 -0.137 -2.348 837 2HH2 ARG 104 2HH2 ARG 104 24.037 -0.263 -1.973 838 H GLY 105 H GLY 105 21.999 -6.127 -2.050 839 1HA GLY 105 1HA GLY 105 21.493 -6.030 -4.816 840 2HA GLY 105 2HA GLY 105 21.211 -7.716 -4.322 841 H TRP 106 H TRP 106 19.030 -6.624 -5.270 842 HA TRP 106 HA TRP 106 17.367 -5.921 -2.872 843 1HB TRP 106 1HB TRP 106 17.183 -4.884 -5.684 844 2HB TRP 106 2HB TRP 106 15.792 -4.902 -4.598 845 HD1 TRP 106 HD1 TRP 106 19.308 -3.704 -3.313 846 HE1 TRP 106 HE1 TRP 106 19.158 -1.248 -2.735 847 HE3 TRP 106 HE3 TRP 106 14.503 -2.759 -5.069 848 HZ2 TRP 106 HZ2 TRP 106 17.267 0.883 -2.969 849 HZ3 TRP 106 HZ3 TRP 106 13.654 -0.508 -4.833 850 HH2 TRP 106 HH2 TRP 106 15.038 1.337 -3.776 851 H THR 107 H THR 107 15.475 -6.958 -2.686 852 HA THR 107 HA THR 107 14.807 -9.102 -4.648 853 HB THR 107 HB THR 107 14.265 -9.435 -1.732 854 HG1 THR 107 HG1 THR 107 16.507 -9.034 -1.931 855 1HG2 THR 107 1HG2 THR 107 14.908 -11.942 -2.537 856 2HG2 THR 107 2HG2 THR 107 14.814 -11.317 -4.178 857 3HG2 THR 107 3HG2 THR 107 13.367 -11.251 -3.124 858 H GLN 108 H GLN 108 12.650 -9.070 -5.161 859 HA GLN 108 HA GLN 108 10.744 -7.594 -3.466 860 1HB GLN 108 1HB GLN 108 11.597 -6.052 -5.185 861 2HB GLN 108 2HB GLN 108 11.373 -7.231 -6.396 862 1HG GLN 108 1HG GLN 108 9.600 -5.257 -6.166 863 2HG GLN 108 2HG GLN 108 9.078 -6.888 -6.578 864 1HE2 GLN 108 1HE2 GLN 108 7.372 -7.553 -5.427 865 2HE2 GLN 108 2HE2 GLN 108 7.027 -7.156 -3.773 866 H TRP 109 H TRP 109 9.098 -9.192 -3.092 867 HA TRP 109 HA TRP 109 8.243 -10.850 -5.468 868 1HB TRP 109 1HB TRP 109 7.541 -12.514 -3.781 869 2HB TRP 109 2HB TRP 109 9.296 -12.450 -4.131 870 HD1 TRP 109 HD1 TRP 109 8.044 -9.807 -1.505 871 HE1 TRP 109 HE1 TRP 109 8.836 -10.541 0.777 872 HE3 TRP 109 HE3 TRP 109 9.734 -14.523 -2.747 873 HZ2 TRP 109 HZ2 TRP 109 10.033 -12.757 1.981 874 HZ3 TRP 109 HZ3 TRP 109 10.713 -15.901 -0.901 875 HH2 TRP 109 HH2 TRP 109 10.846 -15.020 1.394 876 H ILE 110 H ILE 110 6.472 -9.862 -6.094 877 HA ILE 110 HA ILE 110 4.634 -8.468 -4.527 878 HB ILE 110 HB ILE 110 4.603 -9.777 -7.177 879 1HG1 ILE 110 1HG1 ILE 110 4.125 -6.980 -6.047 880 2HG1 ILE 110 2HG1 ILE 110 5.646 -7.608 -6.640 881 1HG2 ILE 110 1HG2 ILE 110 2.150 -8.763 -7.346 882 2HG2 ILE 110 2HG2 ILE 110 2.153 -8.974 -5.570 883 3HG2 ILE 110 3HG2 ILE 110 2.342 -10.376 -6.627 884 1HD1 ILE 110 1HD1 ILE 110 4.730 -7.912 -8.906 885 2HD1 ILE 110 2HD1 ILE 110 4.720 -6.214 -8.364 886 3HD1 ILE 110 3HD1 ILE 110 3.194 -7.157 -8.366 887 H GLU 111 H GLU 111 3.747 -9.184 -2.760 888 HA GLU 111 HA GLU 111 2.751 -11.951 -2.498 889 1HB GLU 111 1HB GLU 111 3.483 -9.574 -0.818 890 2HB GLU 111 2HB GLU 111 2.193 -10.580 -0.125 891 1HG GLU 111 1HG GLU 111 3.689 -12.550 -0.204 892 2HG GLU 111 2HG GLU 111 5.001 -11.507 -0.845 893 H GLY 112 H GLY 112 0.683 -11.719 -0.937 894 1HA GLY 112 1HA GLY 112 -1.525 -11.163 -2.472 895 2HA GLY 112 2HA GLY 112 -1.512 -11.275 -0.657 896 H ASP 113 H ASP 113 -1.536 -9.011 -3.398 897 HA ASP 113 HA ASP 113 -1.750 -6.706 -3.523 898 1HB ASP 113 1HB ASP 113 -3.526 -7.641 -1.332 899 2HB ASP 113 2HB ASP 113 -3.414 -5.900 -1.776 900 H GLU 114 H GLU 114 0.554 -7.724 -2.021 901 HA GLU 114 HA GLU 114 1.120 -5.302 -0.340 902 1HB GLU 114 1HB GLU 114 1.562 -8.203 0.334 903 2HB GLU 114 2HB GLU 114 2.422 -6.897 1.119 904 1HG GLU 114 1HG GLU 114 0.433 -5.984 2.122 905 2HG GLU 114 2HG GLU 114 -0.649 -6.919 1.074 906 H LEU 115 H LEU 115 2.990 -4.285 -0.991 907 HA LEU 115 HA LEU 115 4.910 -5.788 -2.665 908 1HB LEU 115 1HB LEU 115 4.141 -3.024 -2.144 909 2HB LEU 115 2HB LEU 115 5.872 -3.198 -1.940 910 HG LEU 115 HG LEU 115 5.375 -2.470 -4.171 911 1HD1 LEU 115 1HD1 LEU 115 7.291 -3.741 -4.440 912 2HD1 LEU 115 2HD1 LEU 115 6.215 -4.829 -5.382 913 3HD1 LEU 115 3HD1 LEU 115 6.545 -5.183 -3.701 914 1HD2 LEU 115 1HD2 LEU 115 3.825 -5.162 -4.440 915 2HD2 LEU 115 2HD2 LEU 115 4.027 -3.918 -5.712 916 3HD2 LEU 115 3HD2 LEU 115 3.070 -3.578 -4.254 917 H HIS 116 H HIS 116 6.567 -6.774 -1.781 918 HA HIS 116 HA HIS 116 7.476 -6.012 0.979 919 1HB HIS 116 1HB HIS 116 6.014 -8.246 0.327 920 2HB HIS 116 2HB HIS 116 7.675 -8.894 0.305 921 HD1 HIS 116 HD1 HIS 116 9.189 -8.476 2.403 922 HD2 HIS 116 HD2 HIS 116 5.069 -7.839 2.900 923 HE1 HIS 116 HE1 HIS 116 8.737 -8.482 4.989 924 HE2 HIS 116 HE2 HIS 116 6.242 -8.090 5.205 925 H LEU 117 H LEU 117 9.129 -4.868 0.187 926 HA LEU 117 HA LEU 117 11.191 -6.139 -1.568 927 1HB LEU 117 1HB LEU 117 10.355 -3.786 -2.010 928 2HB LEU 117 2HB LEU 117 10.701 -3.304 -0.448 929 HG LEU 117 HG LEU 117 13.204 -4.189 -1.337 930 1HD1 LEU 117 1HD1 LEU 117 12.969 -2.441 -3.551 931 2HD1 LEU 117 2HD1 LEU 117 11.512 -3.475 -3.688 932 3HD1 LEU 117 3HD1 LEU 117 13.134 -4.185 -3.588 933 1HD2 LEU 117 1HD2 LEU 117 13.362 -1.510 -1.717 934 2HD2 LEU 117 2HD2 LEU 117 13.252 -2.170 -0.070 935 3HD2 LEU 117 3HD2 LEU 117 11.793 -1.551 -0.886 936 H GLU 118 H GLU 118 12.865 -7.164 -0.680 937 HA GLU 118 HA GLU 118 13.762 -6.362 2.089 938 1HB GLU 118 1HB GLU 118 13.814 -9.140 0.846 939 2HB GLU 118 2HB GLU 118 14.347 -8.623 2.482 940 1HG GLU 118 1HG GLU 118 12.096 -7.847 2.994 941 2HG GLU 118 2HG GLU 118 11.477 -8.305 1.428 942 H MET 119 H MET 119 15.612 -5.195 1.693 943 HA MET 119 HA MET 119 17.384 -6.003 -0.549 944 1HB MET 119 1HB MET 119 17.974 -3.704 1.221 945 2HB MET 119 2HB MET 119 18.388 -3.985 -0.460 946 1HG MET 119 1HG MET 119 16.517 -2.955 -1.250 947 2HG MET 119 2HG MET 119 15.460 -3.895 -0.184 948 1HE MET 119 1HE MET 119 17.341 -0.351 -0.380 949 2HE MET 119 2HE MET 119 15.735 0.287 0.024 950 3HE MET 119 3HE MET 119 15.887 -0.969 -1.268 951 H ARG 120 H ARG 120 19.360 -6.874 -0.200 952 HA ARG 120 HA ARG 120 20.278 -7.230 2.667 953 1HB ARG 120 1HB ARG 120 19.643 -9.239 1.167 954 2HB ARG 120 2HB ARG 120 21.147 -8.996 0.348 955 1HG ARG 120 1HG ARG 120 22.455 -9.737 2.113 956 2HG ARG 120 2HG ARG 120 21.349 -9.014 3.328 957 1HD ARG 120 1HD ARG 120 19.744 -10.988 2.401 958 2HD ARG 120 2HD ARG 120 21.312 -11.729 2.097 959 HE ARG 120 HE ARG 120 21.061 -10.560 4.796 960 1HH1 ARG 120 1HH1 ARG 120 20.623 -13.356 2.786 961 2HH1 ARG 120 2HH1 ARG 120 20.665 -14.542 4.072 962 1HH2 ARG 120 1HH2 ARG 120 21.138 -12.054 6.547 963 2HH2 ARG 120 2HH2 ARG 120 20.960 -13.732 6.264 964 H ALA 121 H ALA 121 22.247 -7.001 3.257 965 HA ALA 121 HA ALA 121 24.407 -6.320 1.426 966 1HB ALA 121 1HB ALA 121 24.462 -4.018 3.055 967 2HB ALA 121 2HB ALA 121 22.753 -4.214 2.539 968 3HB ALA 121 3HB ALA 121 24.039 -4.069 1.321 969 H GLU 122 H GLU 122 25.940 -7.433 2.293 970 HA GLU 122 HA GLU 122 27.429 -8.415 3.886 971 1HB GLU 122 1HB GLU 122 27.662 -5.868 4.103 972 2HB GLU 122 2HB GLU 122 26.829 -6.059 5.633 973 1HG GLU 122 1HG GLU 122 29.030 -6.184 6.258 974 2HG GLU 122 2HG GLU 122 28.548 -7.888 6.289 975 H GLY 123 H GLY 123 24.769 -9.562 4.072 976 1HA GLY 123 1HA GLY 123 23.780 -11.007 5.649 977 2HA GLY 123 2HA GLY 123 24.972 -10.472 6.793 978 H VAL 124 H VAL 124 23.260 -7.862 5.438 979 HA VAL 124 HA VAL 124 21.436 -7.807 7.861 980 HB VAL 124 HB VAL 124 22.594 -5.346 6.414 981 1HG1 VAL 124 1HG1 VAL 124 20.920 -4.120 7.398 982 2HG1 VAL 124 2HG1 VAL 124 21.260 -4.925 8.966 983 3HG1 VAL 124 3HG1 VAL 124 20.146 -5.639 7.766 984 1HG2 VAL 124 1HG2 VAL 124 24.312 -6.367 7.882 985 2HG2 VAL 124 2HG2 VAL 124 23.118 -6.463 9.214 986 3HG2 VAL 124 3HG2 VAL 124 23.690 -4.887 8.643 987 H THR 125 H THR 125 19.480 -8.279 7.279 988 HA THR 125 HA THR 125 18.586 -7.831 4.519 989 HB THR 125 HB THR 125 17.253 -9.279 6.769 990 HG1 THR 125 HG1 THR 125 18.031 -10.948 5.038 991 1HG2 THR 125 1HG2 THR 125 16.365 -8.426 4.047 992 2HG2 THR 125 2HG2 THR 125 15.419 -9.168 5.327 993 3HG2 THR 125 3HG2 THR 125 16.347 -10.180 4.198 994 H CYS 126 H CYS 126 18.329 -5.593 4.488 995 HA CYS 126 HA CYS 126 16.535 -4.137 6.343 996 1HB CYS 126 1HB CYS 126 18.330 -2.936 5.340 997 2HB CYS 126 2HB CYS 126 17.930 -3.402 3.690 998 HG CYS 126 HG CYS 126 15.368 -2.197 4.943 999 H LYS 127 H LYS 127 14.348 -3.836 6.059 1000 HA LYS 127 HA LYS 127 13.199 -4.972 3.559 1001 1HB LYS 127 1HB LYS 127 11.504 -5.136 5.920 1002 2HB LYS 127 2HB LYS 127 11.716 -6.203 4.507 1003 1HG LYS 127 1HG LYS 127 13.569 -7.348 5.553 1004 2HG LYS 127 2HG LYS 127 13.884 -6.009 6.691 1005 1HD LYS 127 1HD LYS 127 12.885 -7.502 8.056 1006 2HD LYS 127 2HD LYS 127 11.453 -6.608 7.582 1007 1HE LYS 127 1HE LYS 127 10.982 -9.012 7.372 1008 2HE LYS 127 2HE LYS 127 11.117 -8.400 5.694 1009 1HZ LYS 127 1HZ LYS 127 13.647 -9.217 6.631 1010 2HZ LYS 127 2HZ LYS 127 12.727 -9.838 5.359 1011 3HZ LYS 127 3HZ LYS 127 12.487 -10.444 6.885 1012 H GLN 128 H GLN 128 11.104 -4.092 3.011 1013 HA GLN 128 HA GLN 128 10.332 -1.532 4.293 1014 1HB GLN 128 1HB GLN 128 11.496 -1.814 1.604 1015 2HB GLN 128 2HB GLN 128 9.851 -1.179 1.539 1016 1HG GLN 128 1HG GLN 128 11.945 -0.053 3.424 1017 2HG GLN 128 2HG GLN 128 11.765 0.589 1.790 1018 1HE2 GLN 128 1HE2 GLN 128 9.038 0.687 1.416 1019 2HE2 GLN 128 2HE2 GLN 128 8.330 1.838 2.510 1020 H VAL 129 H VAL 129 8.371 -2.363 5.069 1021 HA VAL 129 HA VAL 129 6.692 -4.105 3.472 1022 HB VAL 129 HB VAL 129 5.819 -2.445 5.849 1023 1HG1 VAL 129 1HG1 VAL 129 4.568 -4.728 4.290 1024 2HG1 VAL 129 2HG1 VAL 129 3.820 -3.218 4.883 1025 3HG1 VAL 129 3HG1 VAL 129 4.243 -4.546 6.008 1026 1HG2 VAL 129 1HG2 VAL 129 7.053 -5.307 5.574 1027 2HG2 VAL 129 2HG2 VAL 129 6.259 -4.739 7.054 1028 3HG2 VAL 129 3HG2 VAL 129 7.696 -3.920 6.470 1029 H PHE 130 H PHE 130 5.292 -3.537 1.970 1030 HA PHE 130 HA PHE 130 4.416 -0.656 1.819 1031 1HB PHE 130 1HB PHE 130 5.757 -2.411 -0.163 1032 2HB PHE 130 2HB PHE 130 4.237 -1.709 -0.757 1033 HD1 PHE 130 HD1 PHE 130 7.605 -1.355 -0.985 1034 HD2 PHE 130 HD2 PHE 130 4.286 1.050 0.260 1035 HE1 PHE 130 HE1 PHE 130 8.891 0.657 -1.431 1036 HE2 PHE 130 HE2 PHE 130 5.530 3.099 -0.169 1037 HZ PHE 130 HZ PHE 130 7.862 2.964 -1.025 1038 H LYS 131 H LYS 131 2.420 -0.335 0.713 1039 HA LYS 131 HA LYS 131 0.668 -2.782 0.581 1040 1HB LYS 131 1HB LYS 131 0.579 -0.494 2.415 1041 2HB LYS 131 2HB LYS 131 -0.864 -0.470 1.358 1042 1HG LYS 131 1HG LYS 131 -0.047 -2.749 3.203 1043 2HG LYS 131 2HG LYS 131 -1.414 -1.584 3.410 1044 1HD LYS 131 1HD LYS 131 -2.653 -2.406 1.710 1045 2HD LYS 131 2HD LYS 131 -1.232 -3.177 0.900 1046 1HE LYS 131 1HE LYS 131 -1.174 -4.754 2.949 1047 2HE LYS 131 2HE LYS 131 -2.713 -4.015 3.479 1048 1HZ LYS 131 1HZ LYS 131 -3.602 -4.662 1.197 1049 2HZ LYS 131 2HZ LYS 131 -3.353 -5.854 2.343 1050 3HZ LYS 131 3HZ LYS 131 -2.257 -5.697 1.076 1051 H LYS 132 H LYS 132 -0.360 -2.915 -1.275 1052 HA LYS 132 HA LYS 132 -0.111 -0.606 -3.097 1053 1HB LYS 132 1HB LYS 132 0.510 -2.985 -3.785 1054 2HB LYS 132 2HB LYS 132 -1.173 -3.399 -3.664 1055 1HG LYS 132 1HG LYS 132 -1.852 -1.991 -5.428 1056 2HG LYS 132 2HG LYS 132 -0.257 -1.146 -5.516 1057 1HD LYS 132 1HD LYS 132 0.633 -2.682 -6.819 1058 2HD LYS 132 2HD LYS 132 0.174 -4.007 -5.728 1059 1HE LYS 132 1HE LYS 132 -1.817 -4.430 -6.840 1060 2HE LYS 132 2HE LYS 132 -1.825 -2.802 -7.624 1061 1HZ LYS 132 1HZ LYS 132 -1.137 -4.170 -9.347 1062 2HZ LYS 132 2HZ LYS 132 -0.238 -5.177 -8.336 1063 3HZ LYS 132 3HZ LYS 132 0.310 -3.628 -8.727 1064 H VAL 133 H VAL 133 -1.559 0.850 -2.747 1065 HA VAL 133 HA VAL 133 -4.087 0.789 -1.580 1066 HB VAL 133 HB VAL 133 -3.578 2.339 -4.012 1067 1HG1 VAL 133 1HG1 VAL 133 -5.235 3.846 -3.052 1068 2HG1 VAL 133 2HG1 VAL 133 -5.222 2.975 -1.490 1069 3HG1 VAL 133 3HG1 VAL 133 -5.962 2.246 -2.946 1070 1HG2 VAL 133 1HG2 VAL 133 -1.676 2.936 -2.603 1071 2HG2 VAL 133 2HG2 VAL 133 -2.593 2.508 -1.118 1072 3HG2 VAL 133 3HG2 VAL 133 -2.908 4.022 -1.980 1073 H HIS 134 H HIS 134 -3.631 0.364 -5.126 1074 HA HIS 134 HA HIS 134 -6.434 -0.696 -5.201 1075 1HB HIS 134 1HB HIS 134 -5.158 1.022 -6.851 1076 2HB HIS 134 2HB HIS 134 -4.916 -0.522 -7.706 1077 HD1 HIS 134 HD1 HIS 134 -6.871 1.908 -8.607 1078 HD2 HIS 134 HD2 HIS 134 -7.996 -1.665 -6.698 1079 HE1 HIS 134 HE1 HIS 134 -9.294 1.558 -9.182 1080 HE2 HIS 134 HE2 HIS 134 -9.996 -0.639 -7.988 Start of MODEL 12 1 1H PRO 1 1H PRO 1 0.608 -9.337 -18.471 2 2H PRO 1 2H PRO 1 -0.418 -8.699 -19.620 3 HA PRO 1 HA PRO 1 -2.212 -8.804 -18.395 4 1HB PRO 1 1HB PRO 1 -1.317 -11.314 -16.955 5 2HB PRO 1 2HB PRO 1 -2.965 -10.823 -17.583 6 1HG PRO 1 1HG PRO 1 -1.286 -12.402 -19.012 7 2HG PRO 1 2HG PRO 1 -2.503 -11.341 -19.738 8 1HD PRO 1 1HD PRO 1 0.452 -11.169 -19.918 9 2HD PRO 1 2HD PRO 1 -0.790 -10.225 -20.845 10 H VAL 2 H VAL 2 0.679 -9.951 -16.629 11 HA VAL 2 HA VAL 2 -0.141 -8.442 -14.217 12 HB VAL 2 HB VAL 2 0.972 -10.554 -13.857 13 1HG1 VAL 2 1HG1 VAL 2 2.959 -11.274 -14.715 14 2HG1 VAL 2 2HG1 VAL 2 3.708 -9.692 -14.662 15 3HG1 VAL 2 3HG1 VAL 2 2.605 -10.105 -16.014 16 1HG2 VAL 2 1HG2 VAL 2 2.989 -8.353 -12.956 17 2HG2 VAL 2 2HG2 VAL 2 2.362 -9.781 -12.058 18 3HG2 VAL 2 3HG2 VAL 2 1.316 -8.407 -12.370 19 H ASP 3 H ASP 3 0.416 -6.378 -13.822 20 HA ASP 3 HA ASP 3 2.837 -5.127 -15.100 21 1HB ASP 3 1HB ASP 3 0.003 -4.484 -15.173 22 2HB ASP 3 2HB ASP 3 1.055 -3.126 -14.631 23 H PHE 4 H PHE 4 4.165 -4.727 -13.356 24 HA PHE 4 HA PHE 4 3.404 -4.615 -10.605 25 1HB PHE 4 1HB PHE 4 5.812 -3.415 -11.961 26 2HB PHE 4 2HB PHE 4 5.581 -3.635 -10.203 27 HD1 PHE 4 HD1 PHE 4 4.062 -6.446 -10.694 28 HD2 PHE 4 HD2 PHE 4 7.784 -4.724 -11.979 29 HE1 PHE 4 HE1 PHE 4 5.028 -8.686 -10.913 30 HE2 PHE 4 HE2 PHE 4 8.741 -7.003 -12.219 31 HZ PHE 4 HZ PHE 4 7.360 -9.005 -11.690 32 H ASN 5 H ASN 5 2.950 -2.254 -13.047 33 HA ASN 5 HA ASN 5 3.226 0.233 -11.714 34 1HB ASN 5 1HB ASN 5 2.846 0.737 -13.733 35 2HB ASN 5 2HB ASN 5 1.951 -0.764 -14.105 36 1HD2 ASN 5 1HD2 ASN 5 -0.258 -0.863 -13.740 37 2HD2 ASN 5 2HD2 ASN 5 -1.295 0.524 -13.672 38 H GLY 6 H GLY 6 2.095 1.148 -9.939 39 1HA GLY 6 1HA GLY 6 -0.787 0.636 -9.882 40 2HA GLY 6 2HA GLY 6 -0.010 -0.112 -8.573 41 H TYR 7 H TYR 7 0.558 1.114 -6.848 42 HA TYR 7 HA TYR 7 0.806 3.962 -6.712 43 1HB TYR 7 1HB TYR 7 -1.668 2.635 -5.400 44 2HB TYR 7 2HB TYR 7 -1.153 4.267 -5.064 45 HD1 TYR 7 HD1 TYR 7 -3.132 2.060 -7.181 46 HD2 TYR 7 HD2 TYR 7 -1.159 5.899 -7.234 47 HE1 TYR 7 HE1 TYR 7 -4.499 2.734 -9.110 48 HE2 TYR 7 HE2 TYR 7 -2.560 6.500 -9.190 49 HH TYR 7 HH TYR 7 -4.273 6.003 -10.423 50 H TRP 8 H TRP 8 1.214 4.376 -4.233 51 HA TRP 8 HA TRP 8 2.133 1.958 -2.712 52 1HB TRP 8 1HB TRP 8 4.247 2.955 -2.427 53 2HB TRP 8 2HB TRP 8 3.965 3.091 -4.134 54 HD1 TRP 8 HD1 TRP 8 4.290 5.212 -0.922 55 HE1 TRP 8 HE1 TRP 8 4.159 7.762 -1.547 56 HE3 TRP 8 HE3 TRP 8 2.905 4.868 -5.935 57 HZ2 TRP 8 HZ2 TRP 8 3.594 9.344 -3.737 58 HZ3 TRP 8 HZ3 TRP 8 2.597 7.042 -7.163 59 HH2 TRP 8 HH2 TRP 8 2.962 9.220 -6.028 60 H LYS 9 H LYS 9 3.248 2.883 -0.733 61 HA LYS 9 HA LYS 9 3.017 5.195 0.551 62 1HB LYS 9 1HB LYS 9 1.061 4.702 2.153 63 2HB LYS 9 2HB LYS 9 0.653 5.392 0.567 64 1HG LYS 9 1HG LYS 9 0.011 3.110 -0.263 65 2HG LYS 9 2HG LYS 9 0.579 2.394 1.273 66 1HD LYS 9 1HD LYS 9 -2.021 3.442 0.630 67 2HD LYS 9 2HD LYS 9 -1.499 2.639 2.120 68 1HE LYS 9 1HE LYS 9 -0.912 5.623 1.710 69 2HE LYS 9 2HE LYS 9 -2.502 5.027 2.128 70 1HZ LYS 9 1HZ LYS 9 -1.833 4.357 4.182 71 2HZ LYS 9 2HZ LYS 9 -0.707 5.608 3.983 72 3HZ LYS 9 3HZ LYS 9 -0.263 3.986 3.726 73 H MET 10 H MET 10 4.931 3.909 0.802 74 HA MET 10 HA MET 10 6.047 1.912 1.647 75 1HB MET 10 1HB MET 10 6.598 3.056 3.990 76 2HB MET 10 2HB MET 10 7.517 2.989 2.487 77 1HG MET 10 1HG MET 10 7.471 5.289 2.988 78 2HG MET 10 2HG MET 10 6.187 5.130 1.773 79 1HE MET 10 1HE MET 10 5.390 7.977 4.061 80 2HE MET 10 2HE MET 10 7.002 7.339 3.560 81 3HE MET 10 3HE MET 10 6.474 7.271 5.278 82 H LEU 11 H LEU 11 3.998 3.260 4.204 83 HA LEU 11 HA LEU 11 2.642 2.403 5.776 84 1HB LEU 11 1HB LEU 11 2.815 0.191 3.992 85 2HB LEU 11 2HB LEU 11 3.374 -0.489 5.395 86 HG LEU 11 HG LEU 11 0.602 0.589 4.775 87 1HD1 LEU 11 1HD1 LEU 11 1.159 -1.829 4.505 88 2HD1 LEU 11 2HD1 LEU 11 -0.129 -1.514 5.694 89 3HD1 LEU 11 3HD1 LEU 11 1.542 -1.922 6.221 90 1HD2 LEU 11 1HD2 LEU 11 0.838 -0.187 7.647 91 2HD2 LEU 11 2HD2 LEU 11 0.135 1.270 6.921 92 3HD2 LEU 11 3HD2 LEU 11 1.879 1.187 7.270 93 H SER 12 H SER 12 5.517 0.343 5.327 94 HA SER 12 HA SER 12 6.604 1.381 7.894 95 1HB SER 12 1HB SER 12 4.950 -0.893 7.889 96 2HB SER 12 2HB SER 12 6.597 -1.432 8.212 97 HG SER 12 HG SER 12 6.346 -0.655 10.103 98 H ASN 13 H ASN 13 8.678 0.648 8.417 99 HA ASN 13 HA ASN 13 10.079 -1.199 6.617 100 1HB ASN 13 1HB ASN 13 11.748 0.471 5.899 101 2HB ASN 13 2HB ASN 13 10.148 1.100 5.496 102 1HD2 ASN 13 1HD2 ASN 13 13.059 1.502 7.414 103 2HD2 ASN 13 2HD2 ASN 13 12.670 3.004 8.171 104 H GLU 14 H GLU 14 12.327 -1.470 7.451 105 HA GLU 14 HA GLU 14 12.893 -0.606 10.264 106 1HB GLU 14 1HB GLU 14 13.565 -3.365 9.780 107 2HB GLU 14 2HB GLU 14 12.919 -2.559 11.230 108 1HG GLU 14 1HG GLU 14 10.672 -2.420 9.881 109 2HG GLU 14 2HG GLU 14 11.332 -3.724 8.911 110 H ASN 15 H ASN 15 14.981 -1.754 10.933 111 HA ASN 15 HA ASN 15 17.217 -1.344 10.831 112 1HB ASN 15 1HB ASN 15 16.580 -3.534 8.916 113 2HB ASN 15 2HB ASN 15 18.248 -3.169 9.319 114 1HD2 ASN 15 1HD2 ASN 15 16.256 -5.502 10.010 115 2HD2 ASN 15 2HD2 ASN 15 16.423 -5.730 11.733 116 H PHE 16 H PHE 16 16.115 0.687 9.307 117 HA PHE 16 HA PHE 16 17.226 0.902 6.619 118 1HB PHE 16 1HB PHE 16 15.240 2.068 7.788 119 2HB PHE 16 2HB PHE 16 16.483 3.231 8.342 120 HD1 PHE 16 HD1 PHE 16 16.629 1.581 4.954 121 HD2 PHE 16 HD2 PHE 16 15.531 5.098 7.157 122 HE1 PHE 16 HE1 PHE 16 16.446 2.782 2.874 123 HE2 PHE 16 HE2 PHE 16 15.315 6.357 5.026 124 HZ PHE 16 HZ PHE 16 15.768 5.216 2.871 125 H GLU 17 H GLU 17 18.209 2.255 9.845 126 HA GLU 17 HA GLU 17 20.580 3.550 8.785 127 1HB GLU 17 1HB GLU 17 21.146 4.119 10.973 128 2HB GLU 17 2HB GLU 17 19.494 4.587 10.527 129 1HG GLU 17 1HG GLU 17 19.234 2.054 11.735 130 2HG GLU 17 2HG GLU 17 20.501 2.783 12.701 131 H GLU 18 H GLU 18 19.652 0.383 9.983 132 HA GLU 18 HA GLU 18 22.352 -0.451 10.785 133 1HB GLU 18 1HB GLU 18 20.162 -1.387 11.581 134 2HB GLU 18 2HB GLU 18 20.060 -2.184 9.972 135 1HG GLU 18 1HG GLU 18 21.995 -3.595 10.431 136 2HG GLU 18 2HG GLU 18 22.527 -2.551 11.718 137 H TYR 19 H TYR 19 20.340 -0.235 7.925 138 HA TYR 19 HA TYR 19 21.976 -2.107 6.348 139 1HB TYR 19 1HB TYR 19 19.986 -2.126 5.491 140 2HB TYR 19 2HB TYR 19 19.536 -0.484 5.976 141 HD1 TYR 19 HD1 TYR 19 21.276 -2.499 3.391 142 HD2 TYR 19 HD2 TYR 19 20.067 1.482 4.451 143 HE1 TYR 19 HE1 TYR 19 21.811 -1.749 1.050 144 HE2 TYR 19 HE2 TYR 19 20.605 2.217 2.132 145 HH TYR 19 HH TYR 19 21.571 1.758 0.311 146 H LEU 20 H LEU 20 21.847 1.413 6.941 147 HA LEU 20 HA LEU 20 23.685 2.289 4.859 148 1HB LEU 20 1HB LEU 20 23.089 3.580 7.518 149 2HB LEU 20 2HB LEU 20 23.911 4.303 6.217 150 HG LEU 20 HG LEU 20 20.975 3.512 6.101 151 1HD1 LEU 20 1HD1 LEU 20 21.111 5.517 7.468 152 2HD1 LEU 20 2HD1 LEU 20 20.885 6.128 5.803 153 3HD1 LEU 20 3HD1 LEU 20 22.491 6.134 6.531 154 1HD2 LEU 20 1HD2 LEU 20 21.782 3.404 3.792 155 2HD2 LEU 20 2HD2 LEU 20 22.875 4.764 4.041 156 3HD2 LEU 20 3HD2 LEU 20 21.154 5.069 3.946 157 H ARG 21 H ARG 21 23.977 1.116 8.125 158 HA ARG 21 HA ARG 21 26.745 1.924 8.547 159 1HB ARG 21 1HB ARG 21 25.263 1.736 10.423 160 2HB ARG 21 2HB ARG 21 24.667 0.199 9.870 161 1HG ARG 21 1HG ARG 21 27.602 0.135 10.376 162 2HG ARG 21 2HG ARG 21 26.692 0.526 11.824 163 1HD ARG 21 1HD ARG 21 25.656 -1.704 10.071 164 2HD ARG 21 2HD ARG 21 27.094 -2.064 11.045 165 HE ARG 21 HE ARG 21 24.418 -1.168 12.043 166 1HH1 ARG 21 1HH1 ARG 21 27.468 -2.889 12.834 167 2HH1 ARG 21 2HH1 ARG 21 26.844 -3.401 14.350 168 1HH2 ARG 21 1HH2 ARG 21 23.721 -1.931 14.147 169 2HH2 ARG 21 2HH2 ARG 21 24.869 -2.877 15.036 170 H ALA 22 H ALA 22 25.157 -0.805 6.974 171 HA ALA 22 HA ALA 22 27.257 -2.716 7.268 172 1HB ALA 22 1HB ALA 22 25.962 -3.530 5.028 173 2HB ALA 22 2HB ALA 22 24.748 -2.378 5.696 174 3HB ALA 22 3HB ALA 22 25.302 -3.769 6.648 175 H LEU 23 H LEU 23 26.567 -0.091 4.932 176 HA LEU 23 HA LEU 23 28.708 -0.967 3.080 177 1HB LEU 23 1HB LEU 23 27.005 1.539 3.119 178 2HB LEU 23 2HB LEU 23 27.952 0.971 1.812 179 HG LEU 23 HG LEU 23 25.989 -1.005 2.749 180 1HD1 LEU 23 1HD1 LEU 23 24.001 0.088 2.101 181 2HD1 LEU 23 2HD1 LEU 23 24.818 1.311 1.133 182 3HD1 LEU 23 3HD1 LEU 23 24.896 1.353 2.924 183 1HD2 LEU 23 1HD2 LEU 23 26.536 0.188 -0.064 184 2HD2 LEU 23 2HD2 LEU 23 25.721 -1.328 0.274 185 3HD2 LEU 23 3HD2 LEU 23 27.468 -1.177 0.621 186 H ASP 24 H ASP 24 28.077 1.160 5.803 187 HA ASP 24 HA ASP 24 29.532 2.417 7.084 188 1HB ASP 24 1HB ASP 24 31.251 0.863 6.395 189 2HB ASP 24 2HB ASP 24 31.766 2.011 5.096 190 H VAL 25 H VAL 25 27.765 3.863 5.483 191 HA VAL 25 HA VAL 25 29.222 5.837 3.915 192 HB VAL 25 HB VAL 25 27.091 6.952 3.719 193 1HG1 VAL 25 1HG1 VAL 25 25.832 5.324 2.470 194 2HG1 VAL 25 2HG1 VAL 25 26.523 3.958 3.387 195 3HG1 VAL 25 3HG1 VAL 25 27.526 4.963 2.277 196 1HG2 VAL 25 1HG2 VAL 25 26.482 5.448 6.217 197 2HG2 VAL 25 2HG2 VAL 25 25.228 5.177 4.997 198 3HG2 VAL 25 3HG2 VAL 25 25.645 6.824 5.556 199 H ASN 26 H ASN 26 28.378 8.278 4.571 200 HA ASN 26 HA ASN 26 29.847 8.951 6.921 201 1HB ASN 26 1HB ASN 26 27.740 10.671 5.755 202 2HB ASN 26 2HB ASN 26 29.181 11.156 6.725 203 1HD2 ASN 26 1HD2 ASN 26 30.761 12.093 5.556 204 2HD2 ASN 26 2HD2 ASN 26 31.153 11.750 3.903 205 H VAL 27 H VAL 27 29.073 9.773 8.941 206 HA VAL 27 HA VAL 27 26.919 8.279 10.208 207 HB VAL 27 HB VAL 27 27.514 9.627 12.190 208 1HG1 VAL 27 1HG1 VAL 27 29.268 8.094 12.682 209 2HG1 VAL 27 2HG1 VAL 27 29.985 8.320 11.100 210 3HG1 VAL 27 3HG1 VAL 27 28.515 7.297 11.286 211 1HG2 VAL 27 1HG2 VAL 27 30.135 10.346 10.887 212 2HG2 VAL 27 2HG2 VAL 27 29.216 11.317 12.059 213 3HG2 VAL 27 3HG2 VAL 27 28.813 11.326 10.323 214 H ALA 28 H ALA 28 27.197 11.498 8.943 215 HA ALA 28 HA ALA 28 24.881 12.585 10.449 216 1HB ALA 28 1HB ALA 28 26.017 14.467 9.819 217 2HB ALA 28 2HB ALA 28 25.066 14.233 8.340 218 3HB ALA 28 3HB ALA 28 26.749 13.600 8.404 219 H LEU 29 H LEU 29 25.458 10.813 7.482 220 HA LEU 29 HA LEU 29 23.007 11.552 6.189 221 1HB LEU 29 1HB LEU 29 25.246 10.099 5.436 222 2HB LEU 29 2HB LEU 29 23.959 8.913 5.518 223 HG LEU 29 HG LEU 29 23.158 11.411 4.226 224 1HD1 LEU 29 1HD1 LEU 29 25.606 11.078 3.582 225 2HD1 LEU 29 2HD1 LEU 29 24.497 11.200 2.188 226 3HD1 LEU 29 3HD1 LEU 29 25.121 9.636 2.654 227 1HD2 LEU 29 1HD2 LEU 29 22.568 9.269 2.469 228 2HD2 LEU 29 2HD2 LEU 29 21.558 9.729 3.857 229 3HD2 LEU 29 3HD2 LEU 29 22.725 8.419 3.980 230 H ARG 30 H ARG 30 23.958 9.064 8.494 231 HA ARG 30 HA ARG 30 21.714 7.220 8.320 232 1HB ARG 30 1HB ARG 30 23.828 6.564 9.081 233 2HB ARG 30 2HB ARG 30 23.830 7.859 10.327 234 1HG ARG 30 1HG ARG 30 21.549 6.321 10.895 235 2HG ARG 30 2HG ARG 30 22.792 5.113 10.480 236 1HD ARG 30 1HD ARG 30 23.217 7.458 12.362 237 2HD ARG 30 2HD ARG 30 22.652 5.867 12.912 238 HE ARG 30 HE ARG 30 25.105 5.612 11.417 239 1HH1 ARG 30 1HH1 ARG 30 23.843 6.598 14.561 240 2HH1 ARG 30 2HH1 ARG 30 25.338 6.181 15.399 241 1HH2 ARG 30 1HH2 ARG 30 27.011 5.072 12.525 242 2HH2 ARG 30 2HH2 ARG 30 27.044 5.367 14.240 243 H LYS 31 H LYS 31 22.487 10.183 10.053 244 HA LYS 31 HA LYS 31 20.277 10.039 11.971 245 1HB LYS 31 1HB LYS 31 22.212 11.163 12.553 246 2HB LYS 31 2HB LYS 31 22.218 12.117 11.047 247 1HG LYS 31 1HG LYS 31 19.759 12.706 12.387 248 2HG LYS 31 2HG LYS 31 21.092 12.833 13.569 249 1HD LYS 31 1HD LYS 31 21.693 14.027 10.945 250 2HD LYS 31 2HD LYS 31 20.361 14.821 11.845 251 1HE LYS 31 1HE LYS 31 22.167 14.438 13.898 252 2HE LYS 31 2HE LYS 31 23.235 14.793 12.484 253 1HZ LYS 31 1HZ LYS 31 22.618 16.795 13.572 254 2HZ LYS 31 2HZ LYS 31 20.967 16.398 13.561 255 3HZ LYS 31 3HZ LYS 31 21.775 16.789 12.113 256 H ILE 32 H ILE 32 20.762 11.740 8.749 257 HA ILE 32 HA ILE 32 18.204 13.094 8.969 258 HB ILE 32 HB ILE 32 19.466 12.440 6.317 259 1HG1 ILE 32 1HG1 ILE 32 20.942 13.773 8.560 260 2HG1 ILE 32 2HG1 ILE 32 21.515 13.133 7.067 261 1HG2 ILE 32 1HG2 ILE 32 18.655 14.701 5.765 262 2HG2 ILE 32 2HG2 ILE 32 18.461 15.061 7.518 263 3HG2 ILE 32 3HG2 ILE 32 17.368 13.946 6.721 264 1HD1 ILE 32 1HD1 ILE 32 21.936 15.478 6.966 265 2HD1 ILE 32 2HD1 ILE 32 20.314 15.951 7.425 266 3HD1 ILE 32 3HD1 ILE 32 20.556 15.250 5.837 267 H ALA 33 H ALA 33 19.427 10.406 7.020 268 HA ALA 33 HA ALA 33 17.055 9.766 5.650 269 1HB ALA 33 1HB ALA 33 19.596 8.836 5.593 270 2HB ALA 33 2HB ALA 33 18.198 8.103 4.704 271 3HB ALA 33 3HB ALA 33 18.781 7.442 6.293 272 H ASN 34 H ASN 34 17.867 9.164 8.960 273 HA ASN 34 HA ASN 34 16.212 6.851 9.458 274 1HB ASN 34 1HB ASN 34 17.416 6.995 11.236 275 2HB ASN 34 2HB ASN 34 17.750 8.744 11.026 276 1HD2 ASN 34 1HD2 ASN 34 15.644 6.258 12.555 277 2HD2 ASN 34 2HD2 ASN 34 14.704 7.380 13.531 278 H LEU 35 H LEU 35 15.582 10.351 9.902 279 HA LEU 35 HA LEU 35 12.868 10.025 10.847 280 1HB LEU 35 1HB LEU 35 12.696 12.273 10.983 281 2HB LEU 35 2HB LEU 35 14.350 11.899 11.385 282 HG LEU 35 HG LEU 35 14.451 12.203 8.632 283 1HD1 LEU 35 1HD1 LEU 35 11.992 13.406 9.408 284 2HD1 LEU 35 2HD1 LEU 35 12.838 13.609 7.877 285 3HD1 LEU 35 3HD1 LEU 35 13.136 14.772 9.139 286 1HD2 LEU 35 1HD2 LEU 35 15.867 13.218 10.731 287 2HD2 LEU 35 2HD2 LEU 35 14.869 14.632 10.521 288 3HD2 LEU 35 3HD2 LEU 35 15.938 14.084 9.209 289 H LEU 36 H LEU 36 14.184 9.566 7.779 290 HA LEU 36 HA LEU 36 11.709 10.549 6.396 291 1HB LEU 36 1HB LEU 36 14.521 10.296 5.601 292 2HB LEU 36 2HB LEU 36 13.505 9.499 4.500 293 HG LEU 36 HG LEU 36 14.118 11.857 3.849 294 1HD1 LEU 36 1HD1 LEU 36 11.763 12.317 2.967 295 2HD1 LEU 36 2HD1 LEU 36 11.206 11.044 4.083 296 3HD1 LEU 36 3HD1 LEU 36 12.311 10.654 2.757 297 1HD2 LEU 36 1HD2 LEU 36 13.929 13.155 5.882 298 2HD2 LEU 36 2HD2 LEU 36 12.359 12.448 6.312 299 3HD2 LEU 36 3HD2 LEU 36 12.488 13.597 4.958 300 H LYS 37 H LYS 37 10.703 9.320 4.741 301 HA LYS 37 HA LYS 37 11.067 6.393 4.872 302 1HB LYS 37 1HB LYS 37 8.389 7.859 5.029 303 2HB LYS 37 2HB LYS 37 8.567 6.107 5.081 304 1HG LYS 37 1HG LYS 37 10.214 7.125 7.173 305 2HG LYS 37 2HG LYS 37 8.662 7.998 7.337 306 1HD LYS 37 1HD LYS 37 7.500 5.694 7.042 307 2HD LYS 37 2HD LYS 37 9.076 4.988 7.323 308 1HE LYS 37 1HE LYS 37 9.257 6.231 9.544 309 2HE LYS 37 2HE LYS 37 7.576 6.827 9.264 310 1HZ LYS 37 1HZ LYS 37 8.153 3.974 9.220 311 2HZ LYS 37 2HZ LYS 37 6.669 4.752 9.522 312 3HZ LYS 37 3HZ LYS 37 7.867 4.745 10.679 313 HA PRO 38 HA PRO 38 10.527 7.598 0.490 314 1HB PRO 38 1HB PRO 38 11.139 4.745 -0.028 315 2HB PRO 38 2HB PRO 38 12.080 6.161 -0.493 316 1HG PRO 38 1HG PRO 38 13.016 4.543 1.415 317 2HG PRO 38 2HG PRO 38 13.012 6.303 1.812 318 1HD PRO 38 1HD PRO 38 10.659 4.356 2.340 319 2HD PRO 38 2HD PRO 38 11.686 5.171 3.575 320 H ASP 39 H ASP 39 9.283 7.290 -1.258 321 HA ASP 39 HA ASP 39 6.858 5.562 -0.968 322 1HB ASP 39 1HB ASP 39 6.144 7.257 -2.830 323 2HB ASP 39 2HB ASP 39 5.976 7.641 -1.086 324 H LYS 40 H LYS 40 6.060 4.868 -3.330 325 HA LYS 40 HA LYS 40 8.168 5.107 -5.311 326 1HB LYS 40 1HB LYS 40 8.971 3.325 -3.696 327 2HB LYS 40 2HB LYS 40 7.617 2.310 -4.248 328 1HG LYS 40 1HG LYS 40 8.635 2.629 -6.664 329 2HG LYS 40 2HG LYS 40 10.037 3.342 -5.853 330 1HD LYS 40 1HD LYS 40 9.160 0.785 -4.709 331 2HD LYS 40 2HD LYS 40 9.698 0.642 -6.394 332 1HE LYS 40 1HE LYS 40 11.939 1.423 -5.797 333 2HE LYS 40 2HE LYS 40 11.374 2.114 -4.304 334 1HZ LYS 40 1HZ LYS 40 11.175 -0.019 -3.342 335 2HZ LYS 40 2HZ LYS 40 12.602 -0.080 -4.263 336 3HZ LYS 40 3HZ LYS 40 11.158 -0.805 -4.819 337 H GLU 41 H GLU 41 6.920 5.666 -6.943 338 HA GLU 41 HA GLU 41 4.405 4.156 -7.489 339 1HB GLU 41 1HB GLU 41 4.732 6.814 -7.661 340 2HB GLU 41 2HB GLU 41 5.633 6.372 -9.137 341 1HG GLU 41 1HG GLU 41 3.569 5.181 -9.990 342 2HG GLU 41 2HG GLU 41 2.676 5.742 -8.605 343 H ILE 42 H ILE 42 4.453 2.623 -9.310 344 HA ILE 42 HA ILE 42 7.156 2.537 -10.678 345 HB ILE 42 HB ILE 42 5.304 0.308 -9.911 346 1HG1 ILE 42 1HG1 ILE 42 8.179 0.821 -9.048 347 2HG1 ILE 42 2HG1 ILE 42 6.850 1.530 -8.202 348 1HG2 ILE 42 1HG2 ILE 42 7.066 0.319 -12.172 349 2HG2 ILE 42 2HG2 ILE 42 6.622 -1.122 -11.264 350 3HG2 ILE 42 3HG2 ILE 42 8.123 -0.228 -10.874 351 1HD1 ILE 42 1HD1 ILE 42 5.991 -1.118 -8.181 352 2HD1 ILE 42 2HD1 ILE 42 7.086 -0.412 -6.973 353 3HD1 ILE 42 3HD1 ILE 42 7.731 -1.365 -8.335 354 H VAL 43 H VAL 43 7.082 2.121 -12.938 355 HA VAL 43 HA VAL 43 4.355 1.914 -14.221 356 HB VAL 43 HB VAL 43 6.214 3.686 -15.714 357 1HG1 VAL 43 1HG1 VAL 43 4.068 3.681 -16.642 358 2HG1 VAL 43 2HG1 VAL 43 3.766 4.985 -15.479 359 3HG1 VAL 43 3HG1 VAL 43 3.295 3.328 -15.117 360 1HG2 VAL 43 1HG2 VAL 43 5.327 5.708 -14.097 361 2HG2 VAL 43 2HG2 VAL 43 6.803 4.824 -13.665 362 3HG2 VAL 43 3HG2 VAL 43 5.248 4.433 -12.890 363 H GLN 44 H GLN 44 4.445 0.364 -15.627 364 HA GLN 44 HA GLN 44 7.066 -0.513 -16.829 365 1HB GLN 44 1HB GLN 44 6.251 -1.758 -14.819 366 2HB GLN 44 2HB GLN 44 4.882 -2.282 -15.737 367 1HG GLN 44 1HG GLN 44 6.458 -3.295 -17.449 368 2HG GLN 44 2HG GLN 44 7.813 -2.807 -16.394 369 1HE2 GLN 44 1HE2 GLN 44 6.061 -5.499 -17.293 370 2HE2 GLN 44 2HE2 GLN 44 6.168 -6.390 -15.777 371 H ASP 45 H ASP 45 6.667 0.214 -18.969 372 HA ASP 45 HA ASP 45 4.055 0.042 -20.205 373 1HB ASP 45 1HB ASP 45 5.581 1.660 -21.007 374 2HB ASP 45 2HB ASP 45 6.952 0.535 -21.057 375 H GLY 46 H GLY 46 7.171 -1.772 -20.848 376 1HA GLY 46 1HA GLY 46 5.692 -4.285 -20.819 377 2HA GLY 46 2HA GLY 46 6.191 -3.713 -22.473 378 H ASP 47 H ASP 47 8.509 -3.277 -22.850 379 HA ASP 47 HA ASP 47 10.260 -5.081 -21.186 380 1HB ASP 47 1HB ASP 47 11.727 -4.792 -23.326 381 2HB ASP 47 2HB ASP 47 10.467 -6.044 -23.159 382 H HIS 48 H HIS 48 9.734 -2.851 -19.976 383 HA HIS 48 HA HIS 48 12.333 -1.501 -19.878 384 1HB HIS 48 1HB HIS 48 10.069 -0.235 -21.302 385 2HB HIS 48 2HB HIS 48 10.603 0.737 -19.957 386 HD1 HIS 48 HD1 HIS 48 11.332 -0.015 -23.475 387 HD2 HIS 48 HD2 HIS 48 13.611 1.274 -20.127 388 HE1 HIS 48 HE1 HIS 48 13.467 0.962 -24.356 389 HE2 HIS 48 HE2 HIS 48 14.825 1.746 -22.341 390 H MET 49 H MET 49 12.186 0.187 -18.043 391 HA MET 49 HA MET 49 9.837 -0.100 -16.273 392 1HB MET 49 1HB MET 49 10.883 -2.294 -16.033 393 2HB MET 49 2HB MET 49 12.429 -1.503 -15.658 394 1HG MET 49 1HG MET 49 11.525 -0.486 -13.660 395 2HG MET 49 2HG MET 49 9.908 -1.209 -13.991 396 1HE MET 49 1HE MET 49 13.222 -4.373 -13.863 397 2HE MET 49 2HE MET 49 13.671 -2.649 -14.100 398 3HE MET 49 3HE MET 49 12.579 -3.432 -15.240 399 H ILE 50 H ILE 50 9.710 2.026 -15.971 400 HA ILE 50 HA ILE 50 12.088 3.594 -15.061 401 HB ILE 50 HB ILE 50 9.203 4.496 -15.420 402 1HG1 ILE 50 1HG1 ILE 50 10.148 5.531 -17.597 403 2HG1 ILE 50 2HG1 ILE 50 11.484 4.381 -17.430 404 1HG2 ILE 50 1HG2 ILE 50 11.958 5.933 -15.224 405 2HG2 ILE 50 2HG2 ILE 50 10.639 6.038 -14.064 406 3HG2 ILE 50 3HG2 ILE 50 10.416 6.738 -15.655 407 1HD1 ILE 50 1HD1 ILE 50 10.134 2.520 -18.030 408 2HD1 ILE 50 2HD1 ILE 50 9.352 3.813 -18.913 409 3HD1 ILE 50 3HD1 ILE 50 8.652 3.269 -17.353 410 H ILE 51 H ILE 51 12.450 2.991 -13.004 411 HA ILE 51 HA ILE 51 10.294 2.802 -10.962 412 HB ILE 51 HB ILE 51 13.314 2.337 -10.977 413 1HG1 ILE 51 1HG1 ILE 51 12.770 0.177 -11.569 414 2HG1 ILE 51 2HG1 ILE 51 11.982 0.022 -10.044 415 1HG2 ILE 51 1HG2 ILE 51 12.917 1.553 -8.571 416 2HG2 ILE 51 2HG2 ILE 51 11.251 2.162 -8.690 417 3HG2 ILE 51 3HG2 ILE 51 12.616 3.288 -8.731 418 1HD1 ILE 51 1HD1 ILE 51 10.513 1.047 -12.569 419 2HD1 ILE 51 2HD1 ILE 51 9.829 0.886 -10.936 420 3HD1 ILE 51 3HD1 ILE 51 10.406 -0.558 -11.799 421 H ARG 52 H ARG 52 9.707 4.678 -10.119 422 HA ARG 52 HA ARG 52 11.784 6.787 -9.758 423 1HB ARG 52 1HB ARG 52 9.496 8.145 -9.574 424 2HB ARG 52 2HB ARG 52 10.483 7.948 -11.034 425 1HG ARG 52 1HG ARG 52 8.963 6.141 -11.808 426 2HG ARG 52 2HG ARG 52 8.202 6.094 -10.246 427 1HD ARG 52 1HD ARG 52 6.646 7.472 -11.490 428 2HD ARG 52 2HD ARG 52 7.671 8.707 -10.722 429 HE ARG 52 HE ARG 52 8.887 8.089 -13.150 430 1HH1 ARG 52 1HH1 ARG 52 5.711 9.319 -12.129 431 2HH1 ARG 52 2HH1 ARG 52 5.493 10.197 -13.619 432 1HH2 ARG 52 1HH2 ARG 52 8.522 9.295 -15.092 433 2HH2 ARG 52 2HH2 ARG 52 7.040 10.162 -15.190 434 H THR 53 H THR 53 12.299 7.277 -7.628 435 HA THR 53 HA THR 53 10.361 6.414 -5.477 436 HB THR 53 HB THR 53 13.374 6.813 -5.622 437 HG1 THR 53 HG1 THR 53 12.435 4.819 -6.301 438 1HG2 THR 53 1HG2 THR 53 11.521 6.755 -3.216 439 2HG2 THR 53 2HG2 THR 53 13.079 7.544 -3.365 440 3HG2 THR 53 3HG2 THR 53 12.991 5.776 -3.071 441 H LEU 54 H LEU 54 9.343 8.147 -4.701 442 HA LEU 54 HA LEU 54 10.155 10.844 -5.476 443 1HB LEU 54 1HB LEU 54 7.654 9.869 -4.281 444 2HB LEU 54 2HB LEU 54 8.037 11.506 -4.731 445 HG LEU 54 HG LEU 54 8.716 9.465 -6.801 446 1HD1 LEU 54 1HD1 LEU 54 6.375 9.351 -7.633 447 2HD1 LEU 54 2HD1 LEU 54 5.774 10.192 -6.161 448 3HD1 LEU 54 3HD1 LEU 54 6.546 8.591 -6.053 449 1HD2 LEU 54 1HD2 LEU 54 8.632 12.214 -6.732 450 2HD2 LEU 54 2HD2 LEU 54 7.024 11.848 -7.405 451 3HD2 LEU 54 3HD2 LEU 54 8.512 11.232 -8.205 452 H SER 55 H SER 55 11.201 9.189 -2.829 453 HA SER 55 HA SER 55 10.402 10.808 -0.571 454 1HB SER 55 1HB SER 55 11.761 9.269 0.568 455 2HB SER 55 2HB SER 55 11.644 8.388 -0.940 456 HG SER 55 HG SER 55 13.625 9.436 -1.574 457 H THR 56 H THR 56 11.158 12.765 -0.088 458 HA THR 56 HA THR 56 13.093 14.062 -1.930 459 HB THR 56 HB THR 56 12.795 15.953 -0.013 460 HG1 THR 56 HG1 THR 56 10.248 14.878 0.032 461 1HG2 THR 56 1HG2 THR 56 10.981 15.114 -2.392 462 2HG2 THR 56 2HG2 THR 56 12.154 16.444 -2.378 463 3HG2 THR 56 3HG2 THR 56 10.648 16.628 -1.488 464 H PHE 57 H PHE 57 14.948 15.135 -1.169 465 HA PHE 57 HA PHE 57 16.906 15.514 0.123 466 1HB PHE 57 1HB PHE 57 15.235 14.809 2.125 467 2HB PHE 57 2HB PHE 57 16.177 13.341 2.122 468 HD1 PHE 57 HD1 PHE 57 18.697 13.535 2.505 469 HD2 PHE 57 HD2 PHE 57 16.175 16.933 2.983 470 HE1 PHE 57 HE1 PHE 57 20.510 14.650 3.770 471 HE2 PHE 57 HE2 PHE 57 17.998 18.073 4.274 472 HZ PHE 57 HZ PHE 57 20.144 16.939 4.656 473 H ARG 58 H ARG 58 15.699 13.188 -1.575 474 HA ARG 58 HA ARG 58 18.186 11.602 -1.871 475 1HB ARG 58 1HB ARG 58 15.617 10.594 -0.728 476 2HB ARG 58 2HB ARG 58 16.332 9.641 -2.014 477 1HG ARG 58 1HG ARG 58 18.280 9.172 -0.645 478 2HG ARG 58 2HG ARG 58 18.024 10.619 0.371 479 1HD ARG 58 1HD ARG 58 17.462 8.441 1.432 480 2HD ARG 58 2HD ARG 58 16.178 9.676 1.455 481 HE ARG 58 HE ARG 58 15.055 8.561 -0.355 482 1HH1 ARG 58 1HH1 ARG 58 17.370 6.544 1.428 483 2HH1 ARG 58 2HH1 ARG 58 16.597 5.077 0.979 484 1HH2 ARG 58 1HH2 ARG 58 14.091 6.709 -0.931 485 2HH2 ARG 58 2HH2 ARG 58 14.664 5.141 -0.415 486 H ASN 59 H ASN 59 14.802 11.291 -2.763 487 HA ASN 59 HA ASN 59 13.883 10.594 -4.811 488 1HB ASN 59 1HB ASN 59 14.012 12.832 -6.328 489 2HB ASN 59 2HB ASN 59 12.981 12.677 -4.907 490 1HD2 ASN 59 1HD2 ASN 59 14.603 14.847 -6.426 491 2HD2 ASN 59 2HD2 ASN 59 15.355 15.794 -5.179 492 H TYR 60 H TYR 60 15.186 9.029 -5.678 493 HA TYR 60 HA TYR 60 17.007 10.000 -7.869 494 1HB TYR 60 1HB TYR 60 18.213 7.855 -7.676 495 2HB TYR 60 2HB TYR 60 18.333 8.815 -6.162 496 HD1 TYR 60 HD1 TYR 60 17.205 7.947 -4.069 497 HD2 TYR 60 HD2 TYR 60 16.740 5.882 -7.822 498 HE1 TYR 60 HE1 TYR 60 16.232 6.024 -2.905 499 HE2 TYR 60 HE2 TYR 60 15.750 3.947 -6.587 500 HH TYR 60 HH TYR 60 15.767 3.806 -3.083 501 H ILE 61 H ILE 61 16.793 8.838 -9.858 502 HA ILE 61 HA ILE 61 14.491 6.967 -9.976 503 HB ILE 61 HB ILE 61 15.079 9.230 -11.872 504 1HG1 ILE 61 1HG1 ILE 61 12.433 9.415 -10.772 505 2HG1 ILE 61 2HG1 ILE 61 13.446 9.001 -9.429 506 1HG2 ILE 61 1HG2 ILE 61 12.895 7.074 -11.934 507 2HG2 ILE 61 2HG2 ILE 61 14.179 7.357 -13.136 508 3HG2 ILE 61 3HG2 ILE 61 12.862 8.519 -12.966 509 1HD1 ILE 61 1HD1 ILE 61 13.128 11.606 -10.248 510 2HD1 ILE 61 2HD1 ILE 61 14.559 11.200 -11.181 511 3HD1 ILE 61 3HD1 ILE 61 14.593 11.003 -9.417 512 H MET 62 H MET 62 14.527 5.591 -11.865 513 HA MET 62 HA MET 62 17.154 5.399 -13.287 514 1HB MET 62 1HB MET 62 15.767 2.854 -12.384 515 2HB MET 62 2HB MET 62 17.450 3.102 -12.854 516 1HG MET 62 1HG MET 62 16.826 4.596 -10.437 517 2HG MET 62 2HG MET 62 16.336 2.893 -10.279 518 1HE MET 62 1HE MET 62 19.470 4.809 -12.229 519 2HE MET 62 2HE MET 62 20.630 4.557 -10.909 520 3HE MET 62 3HE MET 62 19.180 5.513 -10.584 521 H ASP 63 H ASP 63 16.993 4.103 -15.168 522 HA ASP 63 HA ASP 63 14.222 3.741 -16.184 523 1HB ASP 63 1HB ASP 63 15.383 5.727 -17.294 524 2HB ASP 63 2HB ASP 63 16.794 4.728 -17.673 525 H PHE 64 H PHE 64 14.592 1.623 -15.296 526 HA PHE 64 HA PHE 64 16.781 -0.103 -16.259 527 1HB PHE 64 1HB PHE 64 14.260 -0.528 -14.706 528 2HB PHE 64 2HB PHE 64 15.214 -1.901 -15.318 529 HD1 PHE 64 HD1 PHE 64 14.606 -1.413 -12.452 530 HD2 PHE 64 HD2 PHE 64 17.964 0.081 -14.763 531 HE1 PHE 64 HE1 PHE 64 15.933 -1.195 -10.391 532 HE2 PHE 64 HE2 PHE 64 19.214 0.278 -12.704 533 HZ PHE 64 HZ PHE 64 18.255 -0.336 -10.510 534 H GLN 65 H GLN 65 16.195 -2.376 -16.973 535 HA GLN 65 HA GLN 65 13.999 -2.436 -18.980 536 1HB GLN 65 1HB GLN 65 16.946 -2.439 -19.592 537 2HB GLN 65 2HB GLN 65 15.864 -3.429 -20.563 538 1HG GLN 65 1HG GLN 65 14.563 -1.421 -21.237 539 2HG GLN 65 2HG GLN 65 15.556 -0.412 -20.149 540 1HE2 GLN 65 1HE2 GLN 65 15.289 -1.492 -23.446 541 2HE2 GLN 65 2HE2 GLN 65 16.882 -1.106 -23.944 542 H VAL 66 H VAL 66 13.128 -4.442 -18.735 543 HA VAL 66 HA VAL 66 14.091 -6.515 -17.044 544 HB VAL 66 HB VAL 66 12.188 -6.780 -19.340 545 1HG1 VAL 66 1HG1 VAL 66 11.341 -8.619 -17.499 546 2HG1 VAL 66 2HG1 VAL 66 13.078 -8.534 -17.067 547 3HG1 VAL 66 3HG1 VAL 66 12.569 -8.982 -18.705 548 1HG2 VAL 66 1HG2 VAL 66 11.264 -5.002 -17.882 549 2HG2 VAL 66 2HG2 VAL 66 11.771 -5.877 -16.434 550 3HG2 VAL 66 3HG2 VAL 66 10.412 -6.467 -17.446 551 H GLY 67 H GLY 67 15.333 -8.289 -17.384 552 1HA GLY 67 1HA GLY 67 16.729 -9.773 -18.466 553 2HA GLY 67 2HA GLY 67 15.916 -9.455 -19.964 554 H LYS 68 H LYS 68 17.249 -6.528 -18.601 555 HA LYS 68 HA LYS 68 19.561 -6.854 -20.532 556 1HB LYS 68 1HB LYS 68 17.729 -4.599 -20.073 557 2HB LYS 68 2HB LYS 68 19.448 -4.183 -20.107 558 1HG LYS 68 1HG LYS 68 19.232 -4.107 -22.317 559 2HG LYS 68 2HG LYS 68 19.201 -5.877 -22.336 560 1HD LYS 68 1HD LYS 68 16.618 -5.657 -21.828 561 2HD LYS 68 2HD LYS 68 16.810 -3.969 -22.201 562 1HE LYS 68 1HE LYS 68 17.186 -6.362 -24.079 563 2HE LYS 68 2HE LYS 68 16.116 -4.926 -24.306 564 1HZ LYS 68 1HZ LYS 68 17.848 -4.519 -25.677 565 2HZ LYS 68 2HZ LYS 68 18.986 -5.233 -24.650 566 3HZ LYS 68 3HZ LYS 68 18.385 -3.707 -24.281 567 H GLU 69 H GLU 69 21.545 -5.505 -19.932 568 HA GLU 69 HA GLU 69 21.890 -5.349 -16.949 569 1HB GLU 69 1HB GLU 69 23.156 -7.274 -17.827 570 2HB GLU 69 2HB GLU 69 23.852 -6.284 -19.079 571 1HG GLU 69 1HG GLU 69 24.976 -4.896 -17.305 572 2HG GLU 69 2HG GLU 69 24.263 -5.857 -16.051 573 H PHE 70 H PHE 70 23.150 -3.581 -16.195 574 HA PHE 70 HA PHE 70 24.055 -1.616 -18.283 575 1HB PHE 70 1HB PHE 70 22.711 -0.040 -16.534 576 2HB PHE 70 2HB PHE 70 22.269 -0.430 -18.217 577 HD1 PHE 70 HD1 PHE 70 21.644 -1.154 -14.651 578 HD2 PHE 70 HD2 PHE 70 20.547 -2.067 -18.692 579 HE1 PHE 70 HE1 PHE 70 19.579 -2.341 -13.797 580 HE2 PHE 70 HE2 PHE 70 18.514 -3.218 -17.891 581 HZ PHE 70 HZ PHE 70 18.008 -3.371 -15.481 582 H GLU 71 H GLU 71 24.599 0.519 -16.763 583 HA GLU 71 HA GLU 71 25.936 -0.390 -14.241 584 1HB GLU 71 1HB GLU 71 27.248 0.477 -16.809 585 2HB GLU 71 2HB GLU 71 27.859 1.083 -15.234 586 1HG GLU 71 1HG GLU 71 28.783 -0.916 -14.654 587 2HG GLU 71 2HG GLU 71 27.304 -1.719 -14.988 588 H GLU 72 H GLU 72 24.992 0.929 -12.812 589 HA GLU 72 HA GLU 72 24.416 3.796 -13.453 590 1HB GLU 72 1HB GLU 72 23.190 3.772 -11.373 591 2HB GLU 72 2HB GLU 72 22.575 2.631 -12.593 592 1HG GLU 72 1HG GLU 72 24.489 1.170 -10.990 593 2HG GLU 72 2HG GLU 72 23.661 2.183 -9.855 594 H ASP 73 H ASP 73 26.712 4.091 -13.608 595 HA ASP 73 HA ASP 73 28.644 3.961 -11.580 596 1HB ASP 73 1HB ASP 73 29.522 6.098 -12.535 597 2HB ASP 73 2HB ASP 73 29.348 4.737 -13.671 598 H LEU 74 H LEU 74 28.971 5.018 -9.692 599 HA LEU 74 HA LEU 74 28.551 6.293 -7.839 600 1HB LEU 74 1HB LEU 74 28.978 8.109 -9.061 601 2HB LEU 74 2HB LEU 74 27.496 8.035 -10.004 602 HG LEU 74 HG LEU 74 27.591 9.874 -8.383 603 1HD1 LEU 74 1HD1 LEU 74 25.264 9.875 -8.157 604 2HD1 LEU 74 2HD1 LEU 74 25.236 8.310 -7.380 605 3HD1 LEU 74 3HD1 LEU 74 25.442 8.437 -9.165 606 1HD2 LEU 74 1HD2 LEU 74 27.695 7.580 -6.335 607 2HD2 LEU 74 2HD2 LEU 74 26.986 9.146 -5.905 608 3HD2 LEU 74 3HD2 LEU 74 28.682 9.004 -6.497 609 H THR 75 H THR 75 27.289 5.645 -6.172 610 HA THR 75 HA THR 75 24.406 5.230 -6.699 611 HB THR 75 HB THR 75 25.780 4.409 -4.142 612 HG1 THR 75 HG1 THR 75 26.582 2.624 -5.121 613 1HG2 THR 75 1HG2 THR 75 23.957 2.493 -4.548 614 2HG2 THR 75 2HG2 THR 75 23.328 3.590 -5.814 615 3HG2 THR 75 3HG2 THR 75 23.309 4.063 -4.090 616 H GLY 76 H GLY 76 23.454 7.245 -6.290 617 1HA GLY 76 1HA GLY 76 24.471 9.202 -4.497 618 2HA GLY 76 2HA GLY 76 22.753 9.062 -5.036 619 H ILE 77 H ILE 77 25.003 8.590 -2.532 620 HA ILE 77 HA ILE 77 23.935 8.774 -0.227 621 HB ILE 77 HB ILE 77 22.523 6.300 -1.280 622 1HG1 ILE 77 1HG1 ILE 77 21.345 8.412 0.581 623 2HG1 ILE 77 2HG1 ILE 77 21.676 8.897 -1.049 624 1HG2 ILE 77 1HG2 ILE 77 21.907 5.773 1.091 625 2HG2 ILE 77 2HG2 ILE 77 22.954 7.112 1.650 626 3HG2 ILE 77 3HG2 ILE 77 23.698 5.696 0.951 627 1HD1 ILE 77 1HD1 ILE 77 19.647 7.929 -1.624 628 2HD1 ILE 77 2HD1 ILE 77 19.536 7.250 0.019 629 3HD1 ILE 77 3HD1 ILE 77 20.345 6.341 -1.232 630 H ASP 78 H ASP 78 24.660 5.534 -1.553 631 HA ASP 78 HA ASP 78 26.915 5.332 0.404 632 1HB ASP 78 1HB ASP 78 26.505 2.830 -0.692 633 2HB ASP 78 2HB ASP 78 26.143 3.424 0.927 634 H ASP 79 H ASP 79 26.587 6.389 -2.602 635 HA ASP 79 HA ASP 79 27.721 6.528 -4.554 636 1HB ASP 79 1HB ASP 79 30.341 6.151 -3.682 637 2HB ASP 79 2HB ASP 79 29.467 7.654 -4.099 638 H ARG 80 H ARG 80 30.062 5.660 -5.535 639 HA ARG 80 HA ARG 80 31.246 3.937 -6.450 640 1HB ARG 80 1HB ARG 80 31.649 2.283 -5.217 641 2HB ARG 80 2HB ARG 80 30.312 2.752 -4.155 642 1HG ARG 80 1HG ARG 80 28.794 1.174 -5.257 643 2HG ARG 80 2HG ARG 80 29.930 0.928 -6.566 644 1HD ARG 80 1HD ARG 80 30.483 0.128 -3.688 645 2HD ARG 80 2HD ARG 80 30.015 -0.972 -5.044 646 HE ARG 80 HE ARG 80 32.068 -0.707 -6.035 647 1HH1 ARG 80 1HH1 ARG 80 32.147 1.170 -2.994 648 2HH1 ARG 80 2HH1 ARG 80 33.901 1.238 -3.071 649 1HH2 ARG 80 1HH2 ARG 80 34.342 -0.506 -5.966 650 2HH2 ARG 80 2HH2 ARG 80 35.070 0.375 -4.643 651 H LYS 81 H LYS 81 30.959 2.382 -8.170 652 HA LYS 81 HA LYS 81 28.294 2.658 -9.453 653 1HB LYS 81 1HB LYS 81 29.430 2.160 -11.548 654 2HB LYS 81 2HB LYS 81 30.443 3.295 -10.682 655 1HG LYS 81 1HG LYS 81 32.186 1.759 -10.376 656 2HG LYS 81 2HG LYS 81 31.118 0.350 -10.408 657 1HD LYS 81 1HD LYS 81 31.101 0.126 -12.606 658 2HD LYS 81 2HD LYS 81 30.937 1.862 -12.938 659 1HE LYS 81 1HE LYS 81 33.535 0.255 -12.358 660 2HE LYS 81 2HE LYS 81 33.109 1.090 -13.830 661 1HZ LYS 81 1HZ LYS 81 32.981 3.089 -12.009 662 2HZ LYS 81 2HZ LYS 81 34.291 2.701 -13.029 663 3HZ LYS 81 3HZ LYS 81 34.247 2.193 -11.400 664 H CYS 82 H CYS 82 27.084 0.992 -9.821 665 HA CYS 82 HA CYS 82 27.890 -1.691 -8.802 666 1HB CYS 82 1HB CYS 82 25.069 -1.521 -8.867 667 2HB CYS 82 2HB CYS 82 26.056 -1.511 -7.399 668 HG CYS 82 HG CYS 82 24.105 0.114 -7.256 669 H MET 83 H MET 83 27.447 -3.337 -10.231 670 HA MET 83 HA MET 83 26.385 -2.597 -12.960 671 1HB MET 83 1HB MET 83 27.487 -5.329 -12.403 672 2HB MET 83 2HB MET 83 27.631 -4.316 -13.851 673 1HG MET 83 1HG MET 83 29.324 -2.886 -12.428 674 2HG MET 83 2HG MET 83 29.252 -4.164 -11.226 675 1HE MET 83 1HE MET 83 31.714 -3.747 -14.894 676 2HE MET 83 2HE MET 83 30.295 -2.735 -14.396 677 3HE MET 83 3HE MET 83 30.071 -4.111 -15.509 678 H THR 84 H THR 84 24.291 -2.542 -12.372 679 HA THR 84 HA THR 84 23.017 -4.825 -10.981 680 HB THR 84 HB THR 84 22.063 -2.182 -11.995 681 HG1 THR 84 HG1 THR 84 22.383 -1.611 -9.922 682 1HG2 THR 84 1HG2 THR 84 19.929 -2.651 -10.855 683 2HG2 THR 84 2HG2 THR 84 20.547 -4.176 -10.142 684 3HG2 THR 84 3HG2 THR 84 20.233 -4.040 -11.872 685 H THR 85 H THR 85 22.034 -6.392 -11.870 686 HA THR 85 HA THR 85 21.019 -6.259 -14.702 687 HB THR 85 HB THR 85 22.106 -8.736 -13.239 688 HG1 THR 85 HG1 THR 85 23.398 -7.682 -15.434 689 1HG2 THR 85 1HG2 THR 85 20.478 -9.346 -14.933 690 2HG2 THR 85 2HG2 THR 85 22.034 -9.561 -15.748 691 3HG2 THR 85 3HG2 THR 85 21.097 -8.090 -16.050 692 H VAL 86 H VAL 86 18.862 -6.347 -14.545 693 HA VAL 86 HA VAL 86 17.638 -7.472 -12.094 694 HB VAL 86 HB VAL 86 15.527 -6.525 -13.020 695 1HG1 VAL 86 1HG1 VAL 86 17.647 -4.393 -13.506 696 2HG1 VAL 86 2HG1 VAL 86 17.374 -4.970 -11.841 697 3HG1 VAL 86 3HG1 VAL 86 16.055 -4.224 -12.786 698 1HG2 VAL 86 1HG2 VAL 86 16.836 -6.759 -15.559 699 2HG2 VAL 86 2HG2 VAL 86 16.767 -5.031 -15.262 700 3HG2 VAL 86 3HG2 VAL 86 15.287 -5.950 -15.278 701 H SER 87 H SER 87 15.377 -8.756 -13.031 702 HA SER 87 HA SER 87 15.542 -10.256 -15.398 703 1HB SER 87 1HB SER 87 17.302 -11.682 -14.980 704 2HB SER 87 2HB SER 87 17.399 -11.167 -13.306 705 HG SER 87 HG SER 87 16.700 -13.159 -13.102 706 H TRP 88 H TRP 88 13.628 -11.282 -15.592 707 HA TRP 88 HA TRP 88 11.800 -11.357 -13.269 708 1HB TRP 88 1HB TRP 88 11.499 -11.081 -16.018 709 2HB TRP 88 2HB TRP 88 11.172 -12.788 -15.870 710 HD1 TRP 88 HD1 TRP 88 9.856 -10.750 -12.919 711 HE1 TRP 88 HE1 TRP 88 7.265 -10.420 -13.138 712 HE3 TRP 88 HE3 TRP 88 9.333 -12.461 -17.682 713 HZ2 TRP 88 HZ2 TRP 88 5.326 -10.846 -15.103 714 HZ3 TRP 88 HZ3 TRP 88 7.032 -12.494 -18.692 715 HH2 TRP 88 HH2 TRP 88 5.113 -11.693 -17.405 716 H ASP 89 H ASP 89 13.161 -12.640 -11.968 717 HA ASP 89 HA ASP 89 13.406 -15.487 -12.859 718 1HB ASP 89 1HB ASP 89 15.336 -14.149 -11.587 719 2HB ASP 89 2HB ASP 89 14.180 -14.070 -10.227 720 H GLY 90 H GLY 90 11.544 -16.404 -12.655 721 1HA GLY 90 1HA GLY 90 9.654 -17.315 -11.787 722 2HA GLY 90 2HA GLY 90 10.288 -16.975 -10.114 723 H ASP 91 H ASP 91 9.729 -14.551 -12.738 724 HA ASP 91 HA ASP 91 8.123 -12.963 -13.056 725 1HB ASP 91 1HB ASP 91 6.540 -14.060 -10.794 726 2HB ASP 91 2HB ASP 91 6.032 -12.961 -12.122 727 H LYS 92 H LYS 92 9.795 -13.396 -9.959 728 HA LYS 92 HA LYS 92 8.765 -10.790 -8.927 729 1HB LYS 92 1HB LYS 92 10.425 -11.310 -7.099 730 2HB LYS 92 2HB LYS 92 9.005 -12.357 -7.176 731 1HG LYS 92 1HG LYS 92 10.336 -14.119 -8.277 732 2HG LYS 92 2HG LYS 92 11.754 -13.092 -8.311 733 1HD LYS 92 1HD LYS 92 11.423 -12.913 -5.674 734 2HD LYS 92 2HD LYS 92 10.460 -14.388 -5.894 735 1HE LYS 92 1HE LYS 92 13.239 -14.173 -7.115 736 2HE LYS 92 2HE LYS 92 13.038 -14.579 -5.417 737 1HZ LYS 92 1HZ LYS 92 11.391 -16.129 -7.268 738 2HZ LYS 92 2HZ LYS 92 12.235 -16.614 -5.894 739 3HZ LYS 92 3HZ LYS 92 13.044 -16.387 -7.378 740 H LEU 93 H LEU 93 10.203 -9.025 -8.597 741 HA LEU 93 HA LEU 93 12.235 -8.908 -10.748 742 1HB LEU 93 1HB LEU 93 10.724 -7.030 -9.030 743 2HB LEU 93 2HB LEU 93 12.408 -6.640 -8.961 744 HG LEU 93 HG LEU 93 11.247 -7.088 -11.702 745 1HD1 LEU 93 1HD1 LEU 93 9.631 -5.649 -10.252 746 2HD1 LEU 93 2HD1 LEU 93 10.111 -4.981 -11.837 747 3HD1 LEU 93 3HD1 LEU 93 10.834 -4.359 -10.363 748 1HD2 LEU 93 1HD2 LEU 93 12.796 -4.635 -11.484 749 2HD2 LEU 93 2HD2 LEU 93 13.489 -6.186 -12.011 750 3HD2 LEU 93 3HD2 LEU 93 13.550 -5.728 -10.326 751 H GLN 94 H GLN 94 13.803 -10.395 -10.082 752 HA GLN 94 HA GLN 94 15.067 -10.055 -7.409 753 1HB GLN 94 1HB GLN 94 14.466 -12.300 -8.100 754 2HB GLN 94 2HB GLN 94 15.474 -12.125 -9.560 755 1HG GLN 94 1HG GLN 94 17.373 -12.597 -8.479 756 2HG GLN 94 2HG GLN 94 17.093 -11.390 -7.262 757 1HE2 GLN 94 1HE2 GLN 94 14.771 -12.443 -5.903 758 2HE2 GLN 94 2HE2 GLN 94 15.236 -13.926 -5.134 759 H CYS 95 H CYS 95 16.397 -8.144 -7.700 760 HA CYS 95 HA CYS 95 18.217 -8.240 -10.029 761 1HB CYS 95 1HB CYS 95 18.559 -5.886 -9.652 762 2HB CYS 95 2HB CYS 95 16.828 -6.286 -9.890 763 HG CYS 95 HG CYS 95 16.526 -4.516 -8.274 764 H VAL 96 H VAL 96 20.380 -8.109 -9.766 765 HA VAL 96 HA VAL 96 21.645 -8.189 -7.024 766 HB VAL 96 HB VAL 96 21.732 -10.392 -8.665 767 1HG1 VAL 96 1HG1 VAL 96 23.775 -10.497 -9.905 768 2HG1 VAL 96 2HG1 VAL 96 24.257 -8.888 -9.394 769 3HG1 VAL 96 3HG1 VAL 96 22.848 -9.084 -10.482 770 1HG2 VAL 96 1HG2 VAL 96 24.164 -10.595 -7.545 771 2HG2 VAL 96 2HG2 VAL 96 22.767 -10.602 -6.455 772 3HG2 VAL 96 3HG2 VAL 96 23.700 -9.129 -6.652 773 H GLN 97 H GLN 97 23.324 -6.792 -6.779 774 HA GLN 97 HA GLN 97 24.044 -5.136 -9.216 775 1HB GLN 97 1HB GLN 97 24.350 -3.287 -7.617 776 2HB GLN 97 2HB GLN 97 22.679 -3.797 -7.785 777 1HG GLN 97 1HG GLN 97 23.293 -5.266 -5.545 778 2HG GLN 97 2HG GLN 97 24.574 -4.125 -5.408 779 1HE2 GLN 97 1HE2 GLN 97 23.115 -1.863 -6.723 780 2HE2 GLN 97 2HE2 GLN 97 21.951 -1.301 -5.539 781 H LYS 98 H LYS 98 25.769 -6.778 -9.394 782 HA LYS 98 HA LYS 98 27.841 -7.465 -7.712 783 1HB LYS 98 1HB LYS 98 28.107 -6.723 -10.614 784 2HB LYS 98 2HB LYS 98 29.268 -7.568 -9.623 785 1HG LYS 98 1HG LYS 98 26.558 -8.726 -9.502 786 2HG LYS 98 2HG LYS 98 27.277 -8.782 -11.110 787 1HD LYS 98 1HD LYS 98 28.669 -9.737 -8.548 788 2HD LYS 98 2HD LYS 98 27.777 -10.825 -9.576 789 1HE LYS 98 1HE LYS 98 29.511 -10.991 -11.086 790 2HE LYS 98 2HE LYS 98 29.705 -9.223 -11.165 791 1HZ LYS 98 1HZ LYS 98 31.058 -11.194 -9.522 792 2HZ LYS 98 2HZ LYS 98 30.730 -9.678 -8.808 793 3HZ LYS 98 3HZ LYS 98 31.675 -9.789 -10.213 794 H GLY 99 H GLY 99 29.323 -6.327 -6.527 795 1HA GLY 99 1HA GLY 99 30.969 -4.330 -7.627 796 2HA GLY 99 2HA GLY 99 29.636 -3.488 -6.834 797 H GLU 100 H GLU 100 31.773 -6.248 -6.105 798 HA GLU 100 HA GLU 100 33.170 -6.517 -4.211 799 1HB GLU 100 1HB GLU 100 32.966 -3.869 -4.324 800 2HB GLU 100 2HB GLU 100 32.425 -4.199 -2.678 801 1HG GLU 100 1HG GLU 100 34.480 -5.841 -2.542 802 2HG GLU 100 2HG GLU 100 35.090 -5.119 -3.998 803 H LYS 101 H LYS 101 32.858 -6.182 -1.599 804 HA LYS 101 HA LYS 101 31.697 -6.841 0.370 805 1HB LYS 101 1HB LYS 101 29.194 -6.527 -1.191 806 2HB LYS 101 2HB LYS 101 29.416 -6.404 0.544 807 1HG LYS 101 1HG LYS 101 30.721 -4.424 -1.370 808 2HG LYS 101 2HG LYS 101 29.120 -4.145 -0.604 809 1HD LYS 101 1HD LYS 101 30.567 -4.924 1.542 810 2HD LYS 101 2HD LYS 101 31.879 -4.184 0.598 811 1HE LYS 101 1HE LYS 101 31.039 -2.070 0.863 812 2HE LYS 101 2HE LYS 101 29.313 -2.634 0.935 813 1HZ LYS 101 1HZ LYS 101 29.489 -3.029 3.138 814 2HZ LYS 101 2HZ LYS 101 30.681 -1.848 3.071 815 3HZ LYS 101 3HZ LYS 101 31.100 -3.474 3.091 816 H GLU 102 H GLU 102 29.820 -8.353 1.065 817 HA GLU 102 HA GLU 102 29.956 -10.859 -0.540 818 1HB GLU 102 1HB GLU 102 29.818 -10.650 2.481 819 2HB GLU 102 2HB GLU 102 30.260 -12.068 1.559 820 1HG GLU 102 1HG GLU 102 32.175 -10.266 0.668 821 2HG GLU 102 2HG GLU 102 31.926 -9.701 2.300 822 H GLY 103 H GLY 103 27.812 -9.244 -1.023 823 1HA GLY 103 1HA GLY 103 25.605 -10.870 -0.681 824 2HA GLY 103 2HA GLY 103 25.639 -10.098 0.810 825 H ARG 104 H ARG 104 26.398 -8.407 -2.260 826 HA ARG 104 HA ARG 104 24.478 -6.306 -1.622 827 1HB ARG 104 1HB ARG 104 26.197 -6.951 -4.014 828 2HB ARG 104 2HB ARG 104 25.153 -5.506 -3.932 829 1HG ARG 104 1HG ARG 104 26.545 -5.123 -1.653 830 2HG ARG 104 2HG ARG 104 27.695 -6.142 -2.515 831 1HD ARG 104 1HD ARG 104 28.169 -3.774 -2.917 832 2HD ARG 104 2HD ARG 104 27.856 -4.643 -4.405 833 HE ARG 104 HE ARG 104 25.386 -3.579 -3.546 834 1HH1 ARG 104 1HH1 ARG 104 28.566 -2.318 -4.816 835 2HH1 ARG 104 2HH1 ARG 104 27.783 -0.941 -5.491 836 1HH2 ARG 104 1HH2 ARG 104 24.567 -1.762 -4.478 837 2HH2 ARG 104 2HH2 ARG 104 25.556 -0.604 -5.338 838 H GLY 105 H GLY 105 22.828 -5.646 -3.188 839 1HA GLY 105 1HA GLY 105 21.409 -6.400 -5.134 840 2HA GLY 105 2HA GLY 105 21.530 -8.070 -4.479 841 H TRP 106 H TRP 106 19.292 -6.296 -5.094 842 HA TRP 106 HA TRP 106 17.963 -6.116 -2.417 843 1HB TRP 106 1HB TRP 106 17.171 -4.656 -4.944 844 2HB TRP 106 2HB TRP 106 16.375 -4.599 -3.381 845 HD1 TRP 106 HD1 TRP 106 20.123 -4.373 -2.872 846 HE1 TRP 106 HE1 TRP 106 20.853 -1.935 -2.444 847 HE3 TRP 106 HE3 TRP 106 15.786 -2.070 -4.213 848 HZ2 TRP 106 HZ2 TRP 106 19.758 0.612 -2.639 849 HZ3 TRP 106 HZ3 TRP 106 15.698 0.456 -4.053 850 HH2 TRP 106 HH2 TRP 106 17.627 1.756 -3.289 851 H THR 107 H THR 107 15.473 -6.436 -2.742 852 HA THR 107 HA THR 107 14.904 -8.482 -4.788 853 HB THR 107 HB THR 107 14.250 -9.088 -1.868 854 HG1 THR 107 HG1 THR 107 16.585 -9.497 -3.366 855 1HG2 THR 107 1HG2 THR 107 14.446 -10.671 -4.503 856 2HG2 THR 107 2HG2 THR 107 13.091 -10.643 -3.347 857 3HG2 THR 107 3HG2 THR 107 14.599 -11.507 -2.962 858 H GLN 108 H GLN 108 12.912 -8.400 -5.429 859 HA GLN 108 HA GLN 108 10.840 -6.709 -4.031 860 1HB GLN 108 1HB GLN 108 11.757 -7.020 -6.905 861 2HB GLN 108 2HB GLN 108 10.085 -6.686 -6.584 862 1HG GLN 108 1HG GLN 108 10.482 -4.490 -6.228 863 2HG GLN 108 2HG GLN 108 11.818 -4.800 -5.081 864 1HE2 GLN 108 1HE2 GLN 108 13.944 -5.715 -6.188 865 2HE2 GLN 108 2HE2 GLN 108 14.382 -4.923 -7.669 866 H TRP 109 H TRP 109 8.961 -7.741 -3.612 867 HA TRP 109 HA TRP 109 8.322 -10.197 -5.237 868 1HB TRP 109 1HB TRP 109 9.749 -10.962 -3.502 869 2HB TRP 109 2HB TRP 109 8.761 -10.217 -2.240 870 HD1 TRP 109 HD1 TRP 109 5.914 -11.224 -2.530 871 HE1 TRP 109 HE1 TRP 109 5.300 -13.755 -2.517 872 HE3 TRP 109 HE3 TRP 109 10.450 -13.196 -3.824 873 HZ2 TRP 109 HZ2 TRP 109 6.520 -16.235 -2.987 874 HZ3 TRP 109 HZ3 TRP 109 10.668 -15.661 -4.033 875 HH2 TRP 109 HH2 TRP 109 8.704 -17.203 -3.614 876 H ILE 110 H ILE 110 6.317 -10.110 -5.795 877 HA ILE 110 HA ILE 110 4.401 -8.320 -4.341 878 HB ILE 110 HB ILE 110 4.359 -9.542 -7.076 879 1HG1 ILE 110 1HG1 ILE 110 4.503 -6.657 -6.239 880 2HG1 ILE 110 2HG1 ILE 110 5.955 -7.661 -6.317 881 1HG2 ILE 110 1HG2 ILE 110 2.085 -8.482 -5.508 882 2HG2 ILE 110 2HG2 ILE 110 2.091 -9.029 -7.198 883 3HG2 ILE 110 3HG2 ILE 110 2.484 -7.347 -6.822 884 1HD1 ILE 110 1HD1 ILE 110 4.818 -6.192 -8.458 885 2HD1 ILE 110 2HD1 ILE 110 4.440 -7.905 -8.802 886 3HD1 ILE 110 3HD1 ILE 110 6.117 -7.423 -8.535 887 H GLU 111 H GLU 111 2.973 -8.971 -3.121 888 HA GLU 111 HA GLU 111 1.670 -11.657 -3.392 889 1HB GLU 111 1HB GLU 111 2.942 -10.277 -1.005 890 2HB GLU 111 2HB GLU 111 1.400 -11.097 -0.746 891 1HG GLU 111 1HG GLU 111 3.562 -12.561 -2.193 892 2HG GLU 111 2HG GLU 111 3.800 -12.317 -0.432 893 H GLY 112 H GLY 112 -0.293 -11.126 -4.054 894 1HA GLY 112 1HA GLY 112 -2.318 -10.100 -4.399 895 2HA GLY 112 2HA GLY 112 -2.282 -9.735 -2.654 896 H ASP 113 H ASP 113 -1.913 -7.713 -1.995 897 HA ASP 113 HA ASP 113 -1.261 -5.647 -4.088 898 1HB ASP 113 1HB ASP 113 -3.240 -5.740 -1.806 899 2HB ASP 113 2HB ASP 113 -2.466 -4.182 -2.258 900 H GLU 114 H GLU 114 0.161 -7.293 -1.658 901 HA GLU 114 HA GLU 114 1.487 -4.864 -0.526 902 1HB GLU 114 1HB GLU 114 0.714 -6.543 1.132 903 2HB GLU 114 2HB GLU 114 1.827 -7.721 0.401 904 1HG GLU 114 1HG GLU 114 3.724 -6.212 0.957 905 2HG GLU 114 2HG GLU 114 2.545 -5.095 1.705 906 H LEU 115 H LEU 115 2.989 -4.194 -1.828 907 HA LEU 115 HA LEU 115 4.792 -5.937 -3.282 908 1HB LEU 115 1HB LEU 115 4.705 -3.900 -4.227 909 2HB LEU 115 2HB LEU 115 4.447 -3.039 -2.737 910 HG LEU 115 HG LEU 115 6.815 -2.738 -2.440 911 1HD1 LEU 115 1HD1 LEU 115 8.012 -4.797 -2.569 912 2HD1 LEU 115 2HD1 LEU 115 8.285 -4.282 -4.225 913 3HD1 LEU 115 3HD1 LEU 115 6.947 -5.399 -3.831 914 1HD2 LEU 115 1HD2 LEU 115 7.586 -2.561 -5.091 915 2HD2 LEU 115 2HD2 LEU 115 6.384 -1.449 -4.354 916 3HD2 LEU 115 3HD2 LEU 115 5.881 -2.804 -5.338 917 H HIS 116 H HIS 116 6.036 -7.369 -1.998 918 HA HIS 116 HA HIS 116 7.059 -6.332 0.587 919 1HB HIS 116 1HB HIS 116 5.814 -8.709 0.093 920 2HB HIS 116 2HB HIS 116 7.524 -9.153 -0.139 921 HD1 HIS 116 HD1 HIS 116 8.063 -6.643 2.176 922 HD2 HIS 116 HD2 HIS 116 6.049 -10.373 2.526 923 HE1 HIS 116 HE1 HIS 116 8.022 -7.270 4.683 924 HE2 HIS 116 HE2 HIS 116 6.822 -9.469 4.801 925 H LEU 117 H LEU 117 8.826 -5.255 0.313 926 HA LEU 117 HA LEU 117 10.869 -6.384 -1.553 927 1HB LEU 117 1HB LEU 117 10.457 -4.151 -2.133 928 2HB LEU 117 2HB LEU 117 10.035 -3.697 -0.562 929 HG LEU 117 HG LEU 117 12.875 -4.264 -0.600 930 1HD1 LEU 117 1HD1 LEU 117 13.400 -2.269 -2.155 931 2HD1 LEU 117 2HD1 LEU 117 11.744 -2.356 -2.761 932 3HD1 LEU 117 3HD1 LEU 117 12.848 -3.741 -2.963 933 1HD2 LEU 117 1HD2 LEU 117 10.960 -2.246 0.434 934 2HD2 LEU 117 2HD2 LEU 117 12.394 -1.466 -0.186 935 3HD2 LEU 117 3HD2 LEU 117 12.555 -2.711 1.084 936 H GLU 118 H GLU 118 12.899 -6.852 -0.894 937 HA GLU 118 HA GLU 118 13.652 -6.436 1.958 938 1HB GLU 118 1HB GLU 118 12.809 -8.643 2.206 939 2HB GLU 118 2HB GLU 118 13.217 -9.029 0.489 940 1HG GLU 118 1HG GLU 118 15.504 -9.348 1.001 941 2HG GLU 118 2HG GLU 118 15.389 -8.582 2.578 942 H MET 119 H MET 119 15.562 -5.545 1.996 943 HA MET 119 HA MET 119 17.192 -5.758 -0.475 944 1HB MET 119 1HB MET 119 16.867 -3.877 1.755 945 2HB MET 119 2HB MET 119 18.552 -4.121 1.262 946 1HG MET 119 1HG MET 119 18.159 -3.090 -0.826 947 2HG MET 119 2HG MET 119 16.498 -3.771 -0.911 948 1HE MET 119 1HE MET 119 14.370 -1.194 0.739 949 2HE MET 119 2HE MET 119 14.768 -2.870 1.097 950 3HE MET 119 3HE MET 119 14.535 -2.334 -0.611 951 H ARG 120 H ARG 120 19.702 -5.404 0.254 952 HA ARG 120 HA ARG 120 20.503 -7.097 2.508 953 1HB ARG 120 1HB ARG 120 19.682 -8.743 0.682 954 2HB ARG 120 2HB ARG 120 21.028 -8.138 -0.272 955 1HG ARG 120 1HG ARG 120 22.098 -9.959 0.612 956 2HG ARG 120 2HG ARG 120 22.457 -8.753 1.891 957 1HD ARG 120 1HD ARG 120 20.635 -9.675 3.267 958 2HD ARG 120 2HD ARG 120 20.154 -10.776 1.966 959 HE ARG 120 HE ARG 120 22.738 -11.404 2.215 960 1HH1 ARG 120 1HH1 ARG 120 20.256 -10.847 4.723 961 2HH1 ARG 120 2HH1 ARG 120 20.943 -11.956 5.831 962 1HH2 ARG 120 1HH2 ARG 120 23.635 -12.816 3.649 963 2HH2 ARG 120 2HH2 ARG 120 22.973 -13.131 5.211 964 H ALA 121 H ALA 121 22.522 -6.495 3.153 965 HA ALA 121 HA ALA 121 24.547 -5.951 1.122 966 1HB ALA 121 1HB ALA 121 22.973 -3.719 1.927 967 2HB ALA 121 2HB ALA 121 24.626 -3.653 1.204 968 3HB ALA 121 3HB ALA 121 24.426 -3.619 2.972 969 H GLU 122 H GLU 122 26.350 -6.777 1.813 970 HA GLU 122 HA GLU 122 27.994 -7.575 3.034 971 1HB GLU 122 1HB GLU 122 27.532 -5.068 4.007 972 2HB GLU 122 2HB GLU 122 27.685 -6.011 5.474 973 1HG GLU 122 1HG GLU 122 29.772 -7.102 4.350 974 2HG GLU 122 2HG GLU 122 29.766 -5.752 3.248 975 H GLY 123 H GLY 123 25.024 -8.431 3.614 976 1HA GLY 123 1HA GLY 123 24.604 -10.570 4.672 977 2HA GLY 123 2HA GLY 123 25.758 -10.226 5.921 978 H VAL 124 H VAL 124 23.671 -7.489 5.273 979 HA VAL 124 HA VAL 124 22.098 -8.099 7.747 980 HB VAL 124 HB VAL 124 21.613 -5.848 7.968 981 1HG1 VAL 124 1HG1 VAL 124 23.606 -5.160 8.883 982 2HG1 VAL 124 2HG1 VAL 124 24.583 -5.578 7.447 983 3HG1 VAL 124 3HG1 VAL 124 24.084 -6.835 8.555 984 1HG2 VAL 124 1HG2 VAL 124 22.348 -5.652 5.160 985 2HG2 VAL 124 2HG2 VAL 124 23.382 -4.515 6.050 986 3HG2 VAL 124 3HG2 VAL 124 21.643 -4.338 6.141 987 H THR 125 H THR 125 19.919 -7.308 7.790 988 HA THR 125 HA THR 125 18.600 -7.635 5.104 989 HB THR 125 HB THR 125 17.382 -8.699 7.586 990 HG1 THR 125 HG1 THR 125 19.609 -9.493 6.967 991 1HG2 THR 125 1HG2 THR 125 15.928 -9.888 6.063 992 2HG2 THR 125 2HG2 THR 125 17.133 -9.961 4.784 993 3HG2 THR 125 3HG2 THR 125 16.261 -8.454 5.070 994 H CYS 126 H CYS 126 17.765 -5.762 4.667 995 HA CYS 126 HA CYS 126 16.107 -4.316 6.707 996 1HB CYS 126 1HB CYS 126 17.594 -2.671 6.062 997 2HB CYS 126 2HB CYS 126 17.987 -3.414 4.506 998 HG CYS 126 HG CYS 126 16.402 -2.381 3.080 999 H LYS 127 H LYS 127 14.048 -3.998 6.240 1000 HA LYS 127 HA LYS 127 12.996 -4.821 3.531 1001 1HB LYS 127 1HB LYS 127 11.223 -5.769 5.507 1002 2HB LYS 127 2HB LYS 127 12.060 -6.607 4.173 1003 1HG LYS 127 1HG LYS 127 14.140 -6.749 5.784 1004 2HG LYS 127 2HG LYS 127 12.999 -6.202 7.060 1005 1HD LYS 127 1HD LYS 127 12.472 -8.551 5.226 1006 2HD LYS 127 2HD LYS 127 13.391 -8.716 6.761 1007 1HE LYS 127 1HE LYS 127 11.522 -8.136 8.058 1008 2HE LYS 127 2HE LYS 127 10.645 -7.339 6.693 1009 1HZ LYS 127 1HZ LYS 127 11.217 -10.209 6.740 1010 2HZ LYS 127 2HZ LYS 127 10.185 -9.408 5.693 1011 3HZ LYS 127 3HZ LYS 127 9.786 -9.573 7.351 1012 H GLN 128 H GLN 128 10.688 -4.389 3.269 1013 HA GLN 128 HA GLN 128 9.559 -2.236 4.977 1014 1HB GLN 128 1HB GLN 128 9.813 -2.191 1.955 1015 2HB GLN 128 2HB GLN 128 8.884 -1.021 2.932 1016 1HG GLN 128 1HG GLN 128 11.381 -0.785 4.079 1017 2HG GLN 128 2HG GLN 128 11.788 -1.217 2.430 1018 1HE2 GLN 128 1HE2 GLN 128 9.473 -0.017 1.175 1019 2HE2 GLN 128 2HE2 GLN 128 9.582 1.727 1.284 1020 H VAL 129 H VAL 129 7.190 -1.912 4.462 1021 HA VAL 129 HA VAL 129 6.069 -4.513 3.357 1022 HB VAL 129 HB VAL 129 4.242 -4.254 5.002 1023 1HG1 VAL 129 1HG1 VAL 129 5.400 -5.635 6.534 1024 2HG1 VAL 129 2HG1 VAL 129 6.897 -4.744 6.402 1025 3HG1 VAL 129 3HG1 VAL 129 6.367 -5.772 5.045 1026 1HG2 VAL 129 1HG2 VAL 129 6.298 -2.333 6.370 1027 2HG2 VAL 129 2HG2 VAL 129 4.916 -3.030 7.172 1028 3HG2 VAL 129 3HG2 VAL 129 4.671 -1.895 5.798 1029 H PHE 130 H PHE 130 6.332 -2.884 1.502 1030 HA PHE 130 HA PHE 130 4.916 -0.506 1.191 1031 1HB PHE 130 1HB PHE 130 6.395 -2.367 -0.485 1032 2HB PHE 130 2HB PHE 130 4.885 -1.867 -1.311 1033 HD1 PHE 130 HD1 PHE 130 8.058 -1.263 -1.756 1034 HD2 PHE 130 HD2 PHE 130 4.620 0.922 -0.298 1035 HE1 PHE 130 HE1 PHE 130 9.098 0.813 -2.457 1036 HE2 PHE 130 HE2 PHE 130 5.646 2.989 -0.992 1037 HZ PHE 130 HZ PHE 130 7.926 2.975 -2.103 1038 H LYS 131 H LYS 131 2.832 -0.037 0.803 1039 HA LYS 131 HA LYS 131 0.961 -2.366 0.513 1040 1HB LYS 131 1HB LYS 131 0.817 -0.727 2.546 1041 2HB LYS 131 2HB LYS 131 0.290 0.475 1.398 1042 1HG LYS 131 1HG LYS 131 -1.744 -0.355 2.253 1043 2HG LYS 131 2HG LYS 131 -1.558 -1.232 0.677 1044 1HD LYS 131 1HD LYS 131 -0.621 -3.124 1.849 1045 2HD LYS 131 2HD LYS 131 -0.553 -2.249 3.400 1046 1HE LYS 131 1HE LYS 131 -3.167 -2.048 3.177 1047 2HE LYS 131 2HE LYS 131 -2.991 -3.285 1.895 1048 1HZ LYS 131 1HZ LYS 131 -2.945 -4.824 3.452 1049 2HZ LYS 131 2HZ LYS 131 -3.017 -3.644 4.666 1050 3HZ LYS 131 3HZ LYS 131 -1.537 -4.190 4.114 1051 H LYS 132 H LYS 132 0.672 -2.543 -1.613 1052 HA LYS 132 HA LYS 132 0.706 -0.256 -3.428 1053 1HB LYS 132 1HB LYS 132 1.189 -2.853 -3.812 1054 2HB LYS 132 2HB LYS 132 -0.532 -2.867 -4.227 1055 1HG LYS 132 1HG LYS 132 -0.180 -1.120 -5.960 1056 2HG LYS 132 2HG LYS 132 1.524 -0.944 -5.392 1057 1HD LYS 132 1HD LYS 132 1.387 -2.234 -7.479 1058 2HD LYS 132 2HD LYS 132 2.114 -3.136 -6.122 1059 1HE LYS 132 1HE LYS 132 0.596 -4.761 -6.341 1060 2HE LYS 132 2HE LYS 132 -0.748 -3.632 -6.093 1061 1HZ LYS 132 1HZ LYS 132 0.516 -3.536 -8.727 1062 2HZ LYS 132 2HZ LYS 132 -1.127 -3.485 -8.299 1063 3HZ LYS 132 3HZ LYS 132 -0.290 -4.951 -8.356 1064 H VAL 133 H VAL 133 -0.862 1.154 -2.866 1065 HA VAL 133 HA VAL 133 -3.334 0.783 -1.755 1066 HB VAL 133 HB VAL 133 -3.026 2.841 -3.907 1067 1HG1 VAL 133 1HG1 VAL 133 -4.703 2.369 -1.474 1068 2HG1 VAL 133 2HG1 VAL 133 -5.155 3.170 -3.002 1069 3HG1 VAL 133 3HG1 VAL 133 -4.203 4.037 -1.782 1070 1HG2 VAL 133 1HG2 VAL 133 -2.183 4.126 -1.644 1071 2HG2 VAL 133 2HG2 VAL 133 -1.010 3.309 -2.662 1072 3HG2 VAL 133 3HG2 VAL 133 -1.582 2.489 -1.230 1073 H HIS 134 H HIS 134 -2.447 0.197 -5.030 1074 HA HIS 134 HA HIS 134 -3.392 -0.901 -6.772 1075 1HB HIS 134 1HB HIS 134 -3.924 -2.531 -5.081 1076 2HB HIS 134 2HB HIS 134 -5.531 -1.776 -4.856 1077 HD1 HIS 134 HD1 HIS 134 -3.791 -4.251 -6.848 1078 HD2 HIS 134 HD2 HIS 134 -7.062 -1.714 -7.463 1079 HE1 HIS 134 HE1 HIS 134 -5.102 -5.164 -8.886 1080 HE2 HIS 134 HE2 HIS 134 -7.061 -3.640 -9.251 Start of MODEL 13 1 1H PRO 1 1H PRO 1 4.591 -11.286 -17.766 2 2H PRO 1 2H PRO 1 4.917 -9.943 -18.653 3 HA PRO 1 HA PRO 1 3.037 -8.938 -18.043 4 1HB PRO 1 1HB PRO 1 1.430 -11.495 -18.151 5 2HB PRO 1 2HB PRO 1 0.996 -9.783 -18.616 6 1HG PRO 1 1HG PRO 1 1.909 -11.480 -20.483 7 2HG PRO 1 2HG PRO 1 2.381 -9.814 -20.539 8 1HD PRO 1 1HD PRO 1 4.054 -12.210 -19.889 9 2HD PRO 1 2HD PRO 1 4.569 -10.619 -20.553 10 H VAL 2 H VAL 2 4.372 -8.928 -16.071 11 HA VAL 2 HA VAL 2 3.536 -10.652 -13.831 12 HB VAL 2 HB VAL 2 5.936 -10.257 -14.379 13 1HG1 VAL 2 1HG1 VAL 2 5.273 -7.481 -13.309 14 2HG1 VAL 2 2HG1 VAL 2 5.762 -7.831 -14.967 15 3HG1 VAL 2 3HG1 VAL 2 6.934 -8.028 -13.683 16 1HG2 VAL 2 1HG2 VAL 2 5.829 -9.264 -11.583 17 2HG2 VAL 2 2HG2 VAL 2 6.209 -10.907 -12.132 18 3HG2 VAL 2 3HG2 VAL 2 4.535 -10.441 -11.898 19 H ASP 3 H ASP 3 3.371 -7.275 -15.008 20 HA ASP 3 HA ASP 3 2.056 -5.535 -14.286 21 1HB ASP 3 1HB ASP 3 0.587 -7.644 -13.638 22 2HB ASP 3 2HB ASP 3 0.950 -7.017 -11.998 23 H PHE 4 H PHE 4 2.227 -3.895 -12.781 24 HA PHE 4 HA PHE 4 3.312 -4.057 -10.110 25 1HB PHE 4 1HB PHE 4 5.234 -3.719 -12.365 26 2HB PHE 4 2HB PHE 4 5.437 -2.621 -11.028 27 HD1 PHE 4 HD1 PHE 4 4.768 -4.122 -8.713 28 HD2 PHE 4 HD2 PHE 4 6.784 -5.412 -12.200 29 HE1 PHE 4 HE1 PHE 4 5.879 -5.864 -7.355 30 HE2 PHE 4 HE2 PHE 4 7.969 -7.183 -10.922 31 HZ PHE 4 HZ PHE 4 7.494 -7.404 -8.437 32 H ASN 5 H ASN 5 3.348 -1.741 -12.951 33 HA ASN 5 HA ASN 5 3.611 0.693 -11.873 34 1HB ASN 5 1HB ASN 5 2.952 -0.035 -14.223 35 2HB ASN 5 2HB ASN 5 1.284 0.031 -13.689 36 1HD2 ASN 5 1HD2 ASN 5 1.381 1.721 -15.567 37 2HD2 ASN 5 2HD2 ASN 5 1.770 3.348 -15.165 38 H GLY 6 H GLY 6 2.952 1.335 -9.878 39 1HA GLY 6 1HA GLY 6 0.078 1.758 -9.515 40 2HA GLY 6 2HA GLY 6 0.830 0.770 -8.323 41 H TYR 7 H TYR 7 0.779 1.993 -6.545 42 HA TYR 7 HA TYR 7 2.327 4.476 -6.352 43 1HB TYR 7 1HB TYR 7 -0.250 4.954 -6.966 44 2HB TYR 7 2HB TYR 7 -0.509 4.536 -5.276 45 HD1 TYR 7 HD1 TYR 7 1.166 6.905 -7.515 46 HD2 TYR 7 HD2 TYR 7 0.207 6.046 -3.399 47 HE1 TYR 7 HE1 TYR 7 1.859 9.175 -6.855 48 HE2 TYR 7 HE2 TYR 7 0.887 8.282 -2.780 49 HH TYR 7 HH TYR 7 1.052 10.730 -4.599 50 H TRP 8 H TRP 8 3.619 3.383 -4.775 51 HA TRP 8 HA TRP 8 2.268 1.685 -2.790 52 1HB TRP 8 1HB TRP 8 4.005 0.477 -3.171 53 2HB TRP 8 2HB TRP 8 4.745 1.691 -4.147 54 HD1 TRP 8 HD1 TRP 8 4.649 2.459 -0.238 55 HE1 TRP 8 HE1 TRP 8 6.979 2.185 0.733 56 HE3 TRP 8 HE3 TRP 8 6.925 0.421 -4.361 57 HZ2 TRP 8 HZ2 TRP 8 9.419 1.229 -0.087 58 HZ3 TRP 8 HZ3 TRP 8 9.268 -0.158 -4.146 59 HH2 TRP 8 HH2 TRP 8 10.540 0.221 -2.044 60 H LYS 9 H LYS 9 1.654 2.311 -0.907 61 HA LYS 9 HA LYS 9 2.670 4.836 0.324 62 1HB LYS 9 1HB LYS 9 0.718 5.050 1.293 63 2HB LYS 9 2HB LYS 9 0.127 4.054 -0.033 64 1HG LYS 9 1HG LYS 9 -0.857 2.950 1.669 65 2HG LYS 9 2HG LYS 9 0.622 2.022 1.712 66 1HD LYS 9 1HD LYS 9 1.575 3.763 3.340 67 2HD LYS 9 2HD LYS 9 -0.057 4.475 3.457 68 1HE LYS 9 1HE LYS 9 0.658 1.548 4.135 69 2HE LYS 9 2HE LYS 9 0.362 2.853 5.325 70 1HZ LYS 9 1HZ LYS 9 -1.925 3.003 4.386 71 2HZ LYS 9 2HZ LYS 9 -1.555 1.503 5.062 72 3HZ LYS 9 3HZ LYS 9 -1.563 1.702 3.386 73 H MET 10 H MET 10 4.150 4.565 2.150 74 HA MET 10 HA MET 10 4.957 1.789 2.455 75 1HB MET 10 1HB MET 10 6.565 2.619 4.141 76 2HB MET 10 2HB MET 10 6.790 2.968 2.448 77 1HG MET 10 1HG MET 10 7.328 4.939 3.800 78 2HG MET 10 2HG MET 10 5.994 5.299 2.685 79 1HE MET 10 1HE MET 10 3.104 5.680 4.057 80 2HE MET 10 2HE MET 10 4.371 6.354 2.982 81 3HE MET 10 3HE MET 10 3.932 7.238 4.447 82 H LEU 11 H LEU 11 5.159 0.557 4.272 83 HA LEU 11 HA LEU 11 3.202 1.248 6.417 84 1HB LEU 11 1HB LEU 11 2.162 -0.426 5.161 85 2HB LEU 11 2HB LEU 11 3.568 -1.244 4.755 86 HG LEU 11 HG LEU 11 3.790 -2.095 7.069 87 1HD1 LEU 11 1HD1 LEU 11 0.959 -1.025 7.560 88 2HD1 LEU 11 2HD1 LEU 11 2.360 -0.060 7.969 89 3HD1 LEU 11 3HD1 LEU 11 2.152 -1.640 8.752 90 1HD2 LEU 11 1HD2 LEU 11 2.223 -3.846 6.677 91 2HD2 LEU 11 2HD2 LEU 11 2.059 -3.036 5.081 92 3HD2 LEU 11 3HD2 LEU 11 0.868 -2.787 6.377 93 H SER 12 H SER 12 5.897 -1.081 5.673 94 HA SER 12 HA SER 12 6.962 -0.391 8.400 95 1HB SER 12 1HB SER 12 5.700 -2.690 7.985 96 2HB SER 12 2HB SER 12 7.409 -3.153 7.694 97 HG SER 12 HG SER 12 6.109 -2.348 9.961 98 H ASN 13 H ASN 13 9.012 -1.330 8.845 99 HA ASN 13 HA ASN 13 11.018 -1.726 6.742 100 1HB ASN 13 1HB ASN 13 12.326 0.239 7.190 101 2HB ASN 13 2HB ASN 13 10.666 0.724 6.730 102 1HD2 ASN 13 1HD2 ASN 13 9.124 1.229 8.396 103 2HD2 ASN 13 2HD2 ASN 13 9.698 2.050 9.844 104 H GLU 14 H GLU 14 12.663 -2.932 7.600 105 HA GLU 14 HA GLU 14 12.515 -3.362 10.548 106 1HB GLU 14 1HB GLU 14 12.962 -5.087 8.302 107 2HB GLU 14 2HB GLU 14 14.121 -5.327 9.598 108 1HG GLU 14 1HG GLU 14 12.492 -6.672 10.447 109 2HG GLU 14 2HG GLU 14 11.751 -5.175 11.029 110 H ASN 15 H ASN 15 15.157 -4.027 8.291 111 HA ASN 15 HA ASN 15 17.101 -2.859 10.203 112 1HB ASN 15 1HB ASN 15 17.508 -4.644 7.845 113 2HB ASN 15 2HB ASN 15 18.806 -3.941 8.874 114 1HD2 ASN 15 1HD2 ASN 15 18.307 -4.352 11.354 115 2HD2 ASN 15 2HD2 ASN 15 17.715 -5.952 11.734 116 H PHE 16 H PHE 16 15.840 -0.734 9.182 117 HA PHE 16 HA PHE 16 16.650 0.213 6.618 118 1HB PHE 16 1HB PHE 16 14.663 0.907 7.828 119 2HB PHE 16 2HB PHE 16 15.631 1.714 9.051 120 HD1 PHE 16 HD1 PHE 16 16.018 4.008 8.813 121 HD2 PHE 16 HD2 PHE 16 15.116 1.720 5.236 122 HE1 PHE 16 HE1 PHE 16 15.975 6.052 7.534 123 HE2 PHE 16 HE2 PHE 16 15.067 3.839 3.954 124 HZ PHE 16 HZ PHE 16 15.505 6.031 5.113 125 H GLU 17 H GLU 17 17.623 1.333 9.919 126 HA GLU 17 HA GLU 17 19.703 3.113 9.033 127 1HB GLU 17 1HB GLU 17 19.214 1.900 11.755 128 2HB GLU 17 2HB GLU 17 20.438 3.105 11.340 129 1HG GLU 17 1HG GLU 17 18.521 4.537 10.349 130 2HG GLU 17 2HG GLU 17 17.400 3.387 11.101 131 H GLU 18 H GLU 18 19.606 -0.301 9.887 132 HA GLU 18 HA GLU 18 22.495 -0.554 10.230 133 1HB GLU 18 1HB GLU 18 20.817 -2.095 11.189 134 2HB GLU 18 2HB GLU 18 20.715 -2.868 9.562 135 1HG GLU 18 1HG GLU 18 22.889 -3.789 9.798 136 2HG GLU 18 2HG GLU 18 23.485 -2.404 10.685 137 H TYR 19 H TYR 19 20.241 -0.604 7.538 138 HA TYR 19 HA TYR 19 21.871 -2.028 5.637 139 1HB TYR 19 1HB TYR 19 19.687 -2.171 5.076 140 2HB TYR 19 2HB TYR 19 19.275 -0.563 5.689 141 HD1 TYR 19 HD1 TYR 19 21.417 -2.039 2.890 142 HD2 TYR 19 HD2 TYR 19 18.711 1.071 4.092 143 HE1 TYR 19 HE1 TYR 19 21.454 -1.114 0.595 144 HE2 TYR 19 HE2 TYR 19 18.749 1.978 1.860 145 HH TYR 19 HH TYR 19 20.836 1.657 -0.253 146 H LEU 20 H LEU 20 21.215 1.349 6.466 147 HA LEU 20 HA LEU 20 22.774 2.515 4.322 148 1HB LEU 20 1HB LEU 20 22.240 3.896 6.965 149 2HB LEU 20 2HB LEU 20 22.752 4.592 5.503 150 HG LEU 20 HG LEU 20 20.145 3.136 5.253 151 1HD1 LEU 20 1HD1 LEU 20 18.923 4.314 6.817 152 2HD1 LEU 20 2HD1 LEU 20 19.848 5.795 6.631 153 3HD1 LEU 20 3HD1 LEU 20 20.467 4.496 7.698 154 1HD2 LEU 20 1HD2 LEU 20 20.594 6.080 4.600 155 2HD2 LEU 20 2HD2 LEU 20 19.790 4.778 3.660 156 3HD2 LEU 20 3HD2 LEU 20 21.542 4.831 3.748 157 H ARG 21 H ARG 21 23.485 1.385 7.533 158 HA ARG 21 HA ARG 21 26.092 2.652 7.911 159 1HB ARG 21 1HB ARG 21 24.945 2.051 9.860 160 2HB ARG 21 2HB ARG 21 24.423 0.478 9.215 161 1HG ARG 21 1HG ARG 21 26.385 -0.605 9.834 162 2HG ARG 21 2HG ARG 21 27.353 0.794 9.426 163 1HD ARG 21 1HD ARG 21 25.500 0.872 11.866 164 2HD ARG 21 2HD ARG 21 27.050 0.120 12.032 165 HE ARG 21 HE ARG 21 26.467 2.916 11.952 166 1HH1 ARG 21 1HH1 ARG 21 28.921 0.728 10.920 167 2HH1 ARG 21 2HH1 ARG 21 30.220 1.869 10.922 168 1HH2 ARG 21 1HH2 ARG 21 28.148 4.559 12.038 169 2HH2 ARG 21 2HH2 ARG 21 29.754 4.073 11.592 170 H ALA 22 H ALA 22 24.841 -0.274 6.404 171 HA ALA 22 HA ALA 22 27.376 -1.679 6.335 172 1HB ALA 22 1HB ALA 22 24.965 -1.958 4.485 173 2HB ALA 22 2HB ALA 22 25.216 -2.885 5.970 174 3HB ALA 22 3HB ALA 22 26.346 -3.125 4.613 175 H LEU 23 H LEU 23 25.912 0.715 4.241 176 HA LEU 23 HA LEU 23 28.078 0.431 2.204 177 1HB LEU 23 1HB LEU 23 25.553 2.056 2.021 178 2HB LEU 23 2HB LEU 23 26.610 1.653 0.761 179 HG LEU 23 HG LEU 23 24.733 -0.241 2.275 180 1HD1 LEU 23 1HD1 LEU 23 23.906 1.233 0.357 181 2HD1 LEU 23 2HD1 LEU 23 23.585 -0.497 0.183 182 3HD1 LEU 23 3HD1 LEU 23 24.906 0.267 -0.733 183 1HD2 LEU 23 1HD2 LEU 23 26.847 -1.022 0.136 184 2HD2 LEU 23 2HD2 LEU 23 25.684 -2.130 0.836 185 3HD2 LEU 23 3HD2 LEU 23 26.930 -1.445 1.871 186 H ASP 24 H ASP 24 27.567 2.184 4.938 187 HA ASP 24 HA ASP 24 28.183 4.226 5.757 188 1HB ASP 24 1HB ASP 24 30.411 3.210 4.138 189 2HB ASP 24 2HB ASP 24 30.547 4.929 4.682 190 H VAL 25 H VAL 25 26.379 5.337 4.820 191 HA VAL 25 HA VAL 25 27.034 6.991 2.412 192 HB VAL 25 HB VAL 25 24.521 7.159 2.197 193 1HG1 VAL 25 1HG1 VAL 25 25.069 5.604 0.583 194 2HG1 VAL 25 2HG1 VAL 25 24.820 4.342 1.787 195 3HG1 VAL 25 3HG1 VAL 25 26.426 4.978 1.580 196 1HG2 VAL 25 1HG2 VAL 25 24.576 6.140 4.747 197 2HG2 VAL 25 2HG2 VAL 25 24.396 4.619 3.874 198 3HG2 VAL 25 3HG2 VAL 25 23.162 5.922 3.722 199 H ASN 26 H ASN 26 28.032 7.856 4.892 200 HA ASN 26 HA ASN 26 28.133 9.896 6.107 201 1HB ASN 26 1HB ASN 26 25.866 11.105 4.864 202 2HB ASN 26 2HB ASN 26 27.483 11.705 5.325 203 1HD2 ASN 26 1HD2 ASN 26 25.695 11.186 2.477 204 2HD2 ASN 26 2HD2 ASN 26 26.974 10.656 1.449 205 H VAL 27 H VAL 27 27.472 10.450 8.062 206 HA VAL 27 HA VAL 27 25.397 9.099 9.516 207 HB VAL 27 HB VAL 27 25.911 10.554 11.321 208 1HG1 VAL 27 1HG1 VAL 27 27.560 8.633 10.176 209 2HG1 VAL 27 2HG1 VAL 27 27.897 9.479 11.682 210 3HG1 VAL 27 3HG1 VAL 27 28.663 10.012 10.167 211 1HG2 VAL 27 1HG2 VAL 27 28.108 12.106 10.436 212 2HG2 VAL 27 2HG2 VAL 27 26.496 12.735 10.782 213 3HG2 VAL 27 3HG2 VAL 27 26.937 12.292 9.115 214 H ALA 28 H ALA 28 25.389 12.262 7.893 215 HA ALA 28 HA ALA 28 23.072 13.255 9.229 216 1HB ALA 28 1HB ALA 28 24.150 15.004 8.521 217 2HB ALA 28 2HB ALA 28 23.299 14.751 6.969 218 3HB ALA 28 3HB ALA 28 24.968 14.123 7.194 219 H LEU 29 H LEU 29 23.709 11.626 6.104 220 HA LEU 29 HA LEU 29 21.150 11.929 4.916 221 1HB LEU 29 1HB LEU 29 23.319 11.232 3.831 222 2HB LEU 29 2HB LEU 29 23.000 9.601 4.393 223 HG LEU 29 HG LEU 29 20.564 10.594 3.252 224 1HD1 LEU 29 1HD1 LEU 29 21.488 12.060 1.799 225 2HD1 LEU 29 2HD1 LEU 29 21.538 10.543 0.833 226 3HD1 LEU 29 3HD1 LEU 29 23.016 11.141 1.561 227 1HD2 LEU 29 1HD2 LEU 29 21.516 8.169 3.615 228 2HD2 LEU 29 2HD2 LEU 29 22.357 8.384 2.101 229 3HD2 LEU 29 3HD2 LEU 29 20.561 8.475 2.190 230 H ARG 30 H ARG 30 22.540 9.531 7.124 231 HA ARG 30 HA ARG 30 20.335 7.663 6.895 232 1HB ARG 30 1HB ARG 30 22.236 6.598 7.367 233 2HB ARG 30 2HB ARG 30 22.884 7.815 8.479 234 1HG ARG 30 1HG ARG 30 20.370 6.224 9.171 235 2HG ARG 30 2HG ARG 30 21.953 5.448 9.322 236 1HD ARG 30 1HD ARG 30 22.517 7.774 10.592 237 2HD ARG 30 2HD ARG 30 20.790 7.704 10.902 238 HE ARG 30 HE ARG 30 22.394 5.240 11.493 239 1HH1 ARG 30 1HH1 ARG 30 20.872 8.228 12.821 240 2HH1 ARG 30 2HH1 ARG 30 20.982 7.546 14.423 241 1HH2 ARG 30 1HH2 ARG 30 22.445 4.516 13.539 242 2HH2 ARG 30 2HH2 ARG 30 21.849 5.447 14.878 243 H LYS 31 H LYS 31 21.286 10.269 8.960 244 HA LYS 31 HA LYS 31 19.308 9.777 11.050 245 1HB LYS 31 1HB LYS 31 21.468 10.918 11.494 246 2HB LYS 31 2HB LYS 31 20.929 12.308 10.532 247 1HG LYS 31 1HG LYS 31 19.047 12.665 12.149 248 2HG LYS 31 2HG LYS 31 19.600 11.207 13.029 249 1HD LYS 31 1HD LYS 31 21.356 13.679 12.437 250 2HD LYS 31 2HD LYS 31 20.455 13.433 13.966 251 1HE LYS 31 1HE LYS 31 21.671 11.137 14.034 252 2HE LYS 31 2HE LYS 31 22.823 11.919 12.856 253 1HZ LYS 31 1HZ LYS 31 22.849 13.813 14.572 254 2HZ LYS 31 2HZ LYS 31 23.674 12.421 15.020 255 3HZ LYS 31 3HZ LYS 31 22.099 12.746 15.620 256 H ILE 32 H ILE 32 19.658 11.662 8.134 257 HA ILE 32 HA ILE 32 17.208 13.205 8.555 258 HB ILE 32 HB ILE 32 19.297 13.111 6.398 259 1HG1 ILE 32 1HG1 ILE 32 18.230 15.593 6.352 260 2HG1 ILE 32 2HG1 ILE 32 17.585 15.163 7.876 261 1HG2 ILE 32 1HG2 ILE 32 16.335 13.576 5.720 262 2HG2 ILE 32 2HG2 ILE 32 17.405 12.407 5.000 263 3HG2 ILE 32 3HG2 ILE 32 17.655 14.163 4.713 264 1HD1 ILE 32 1HD1 ILE 32 20.550 15.298 7.062 265 2HD1 ILE 32 2HD1 ILE 32 20.078 14.623 8.618 266 3HD1 ILE 32 3HD1 ILE 32 19.681 16.327 8.205 267 H ALA 33 H ALA 33 18.259 10.348 6.776 268 HA ALA 33 HA ALA 33 15.767 9.876 5.387 269 1HB ALA 33 1HB ALA 33 17.785 9.050 4.420 270 2HB ALA 33 2HB ALA 33 16.721 7.665 4.808 271 3HB ALA 33 3HB ALA 33 18.073 8.040 5.895 272 H ASN 34 H ASN 34 16.913 9.281 8.638 273 HA ASN 34 HA ASN 34 15.177 7.017 9.117 274 1HB ASN 34 1HB ASN 34 16.743 6.778 10.616 275 2HB ASN 34 2HB ASN 34 17.139 8.529 10.636 276 1HD2 ASN 34 1HD2 ASN 34 16.429 9.695 12.379 277 2HD2 ASN 34 2HD2 ASN 34 15.385 9.109 13.642 278 H LEU 35 H LEU 35 14.954 10.528 9.533 279 HA LEU 35 HA LEU 35 12.319 10.316 10.900 280 1HB LEU 35 1HB LEU 35 13.859 12.807 10.185 281 2HB LEU 35 2HB LEU 35 12.368 12.725 11.103 282 HG LEU 35 HG LEU 35 15.044 11.500 11.953 283 1HD1 LEU 35 1HD1 LEU 35 15.644 13.417 12.903 284 2HD1 LEU 35 2HD1 LEU 35 14.056 13.673 13.620 285 3HD1 LEU 35 3HD1 LEU 35 14.406 14.203 11.946 286 1HD2 LEU 35 1HD2 LEU 35 13.619 11.619 14.287 287 2HD2 LEU 35 2HD2 LEU 35 13.274 10.272 13.148 288 3HD2 LEU 35 3HD2 LEU 35 12.197 11.647 13.238 289 H LEU 36 H LEU 36 12.703 9.403 8.114 290 HA LEU 36 HA LEU 36 10.551 10.949 6.826 291 1HB LEU 36 1HB LEU 36 12.892 11.919 6.243 292 2HB LEU 36 2HB LEU 36 13.295 10.430 5.644 293 HG LEU 36 HG LEU 36 11.209 10.828 3.973 294 1HD1 LEU 36 1HD1 LEU 36 10.718 12.957 5.488 295 2HD1 LEU 36 2HD1 LEU 36 10.571 13.159 3.748 296 3HD1 LEU 36 3HD1 LEU 36 12.046 13.717 4.563 297 1HD2 LEU 36 1HD2 LEU 36 13.337 10.638 2.913 298 2HD2 LEU 36 2HD2 LEU 36 14.062 11.902 3.907 299 3HD2 LEU 36 3HD2 LEU 36 12.995 12.341 2.599 300 H LYS 37 H LYS 37 9.323 9.473 5.487 301 HA LYS 37 HA LYS 37 10.499 6.739 5.166 302 1HB LYS 37 1HB LYS 37 7.569 7.570 5.423 303 2HB LYS 37 2HB LYS 37 8.121 5.897 5.236 304 1HG LYS 37 1HG LYS 37 9.165 7.536 7.552 305 2HG LYS 37 2HG LYS 37 7.518 6.869 7.672 306 1HD LYS 37 1HD LYS 37 8.219 4.847 8.172 307 2HD LYS 37 2HD LYS 37 9.229 4.728 6.749 308 1HE LYS 37 1HE LYS 37 10.602 6.591 8.508 309 2HE LYS 37 2HE LYS 37 10.025 5.244 9.513 310 1HZ LYS 37 1HZ LYS 37 11.707 4.900 7.038 311 2HZ LYS 37 2HZ LYS 37 11.206 3.697 8.124 312 3HZ LYS 37 3HZ LYS 37 12.260 4.909 8.613 313 HA PRO 38 HA PRO 38 9.892 8.175 0.940 314 1HB PRO 38 1HB PRO 38 11.191 6.116 -0.365 315 2HB PRO 38 2HB PRO 38 12.090 7.345 0.563 316 1HG PRO 38 1HG PRO 38 11.021 4.585 1.421 317 2HG PRO 38 2HG PRO 38 12.693 5.244 1.541 318 1HD PRO 38 1HD PRO 38 10.915 5.322 3.631 319 2HD PRO 38 2HD PRO 38 12.085 6.650 3.366 320 H ASP 39 H ASP 39 7.972 8.141 0.046 321 HA ASP 39 HA ASP 39 6.578 5.530 -0.240 322 1HB ASP 39 1HB ASP 39 4.750 6.699 -0.381 323 2HB ASP 39 2HB ASP 39 5.675 8.140 0.017 324 H LYS 40 H LYS 40 6.986 4.255 -1.894 325 HA LYS 40 HA LYS 40 8.437 5.470 -4.265 326 1HB LYS 40 1HB LYS 40 9.708 3.927 -3.145 327 2HB LYS 40 2HB LYS 40 8.459 2.724 -2.999 328 1HG LYS 40 1HG LYS 40 8.863 1.853 -5.070 329 2HG LYS 40 2HG LYS 40 8.968 3.434 -5.870 330 1HD LYS 40 1HD LYS 40 10.990 1.727 -5.670 331 2HD LYS 40 2HD LYS 40 11.252 3.495 -5.718 332 1HE LYS 40 1HE LYS 40 11.538 3.451 -3.209 333 2HE LYS 40 2HE LYS 40 11.178 1.709 -3.166 334 1HZ LYS 40 1HZ LYS 40 13.529 2.963 -4.419 335 2HZ LYS 40 2HZ LYS 40 13.154 1.312 -4.489 336 3HZ LYS 40 3HZ LYS 40 13.437 2.058 -3.020 337 H GLU 41 H GLU 41 7.625 5.575 -6.189 338 HA GLU 41 HA GLU 41 5.049 4.096 -6.707 339 1HB GLU 41 1HB GLU 41 4.703 6.474 -6.644 340 2HB GLU 41 2HB GLU 41 6.050 6.788 -7.721 341 1HG GLU 41 1HG GLU 41 4.551 5.106 -9.372 342 2HG GLU 41 2HG GLU 41 3.289 5.861 -8.393 343 H ILE 42 H ILE 42 5.202 2.613 -8.336 344 HA ILE 42 HA ILE 42 7.805 2.566 -9.857 345 HB ILE 42 HB ILE 42 5.680 0.490 -9.183 346 1HG1 ILE 42 1HG1 ILE 42 8.632 0.118 -8.904 347 2HG1 ILE 42 2HG1 ILE 42 7.916 1.263 -7.807 348 1HG2 ILE 42 1HG2 ILE 42 7.914 0.492 -11.319 349 2HG2 ILE 42 2HG2 ILE 42 6.259 -0.064 -11.530 350 3HG2 ILE 42 3HG2 ILE 42 7.391 -1.045 -10.574 351 1HD1 ILE 42 1HD1 ILE 42 6.372 -1.313 -7.902 352 2HD1 ILE 42 2HD1 ILE 42 6.911 -0.332 -6.532 353 3HD1 ILE 42 3HD1 ILE 42 8.007 -1.500 -7.324 354 H VAL 43 H VAL 43 7.907 2.498 -12.080 355 HA VAL 43 HA VAL 43 5.285 2.533 -13.510 356 HB VAL 43 HB VAL 43 7.491 4.621 -13.944 357 1HG1 VAL 43 1HG1 VAL 43 5.470 3.520 -15.809 358 2HG1 VAL 43 2HG1 VAL 43 6.649 4.828 -16.081 359 3HG1 VAL 43 3HG1 VAL 43 5.059 5.214 -15.482 360 1HG2 VAL 43 1HG2 VAL 43 5.789 4.987 -12.001 361 2HG2 VAL 43 2HG2 VAL 43 4.553 5.189 -13.251 362 3HG2 VAL 43 3HG2 VAL 43 5.978 6.284 -13.190 363 H GLN 44 H GLN 44 5.463 1.079 -15.076 364 HA GLN 44 HA GLN 44 8.180 0.165 -15.999 365 1HB GLN 44 1HB GLN 44 5.738 -1.228 -15.128 366 2HB GLN 44 2HB GLN 44 6.190 -1.728 -16.741 367 1HG GLN 44 1HG GLN 44 8.479 -1.608 -14.795 368 2HG GLN 44 2HG GLN 44 7.229 -2.761 -14.376 369 1HE2 GLN 44 1HE2 GLN 44 6.450 -4.027 -16.518 370 2HE2 GLN 44 2HE2 GLN 44 7.724 -4.703 -17.467 371 H ASP 45 H ASP 45 8.413 -0.306 -18.227 372 HA ASP 45 HA ASP 45 6.372 0.839 -20.107 373 1HB ASP 45 1HB ASP 45 9.295 1.575 -19.729 374 2HB ASP 45 2HB ASP 45 8.707 1.454 -21.401 375 H GLY 46 H GLY 46 6.292 -1.716 -19.581 376 1HA GLY 46 1HA GLY 46 6.229 -3.782 -20.772 377 2HA GLY 46 2HA GLY 46 7.222 -2.986 -22.087 378 H ASP 47 H ASP 47 9.437 -2.942 -21.963 379 HA ASP 47 HA ASP 47 10.545 -4.956 -20.089 380 1HB ASP 47 1HB ASP 47 11.224 -5.435 -22.282 381 2HB ASP 47 2HB ASP 47 11.565 -3.762 -22.655 382 H HIS 48 H HIS 48 11.113 -1.563 -21.187 383 HA HIS 48 HA HIS 48 13.155 -0.834 -19.359 384 1HB HIS 48 1HB HIS 48 10.977 0.633 -20.828 385 2HB HIS 48 2HB HIS 48 12.081 1.486 -19.707 386 HD1 HIS 48 HD1 HIS 48 11.907 2.127 -22.748 387 HD2 HIS 48 HD2 HIS 48 14.645 -0.530 -21.095 388 HE1 HIS 48 HE1 HIS 48 13.833 2.008 -24.427 389 HE2 HIS 48 HE2 HIS 48 15.499 0.410 -23.433 390 H MET 49 H MET 49 13.107 -0.032 -17.334 391 HA MET 49 HA MET 49 10.479 0.199 -15.964 392 1HB MET 49 1HB MET 49 11.483 -1.994 -15.676 393 2HB MET 49 2HB MET 49 12.921 -1.220 -14.964 394 1HG MET 49 1HG MET 49 11.798 -0.633 -12.990 395 2HG MET 49 2HG MET 49 10.208 -0.700 -13.765 396 1HE MET 49 1HE MET 49 12.781 -4.440 -12.545 397 2HE MET 49 2HE MET 49 13.212 -2.733 -12.203 398 3HE MET 49 3HE MET 49 13.279 -3.399 -13.875 399 H ILE 50 H ILE 50 10.401 1.874 -14.427 400 HA ILE 50 HA ILE 50 12.945 3.302 -13.872 401 HB ILE 50 HB ILE 50 10.179 4.615 -14.393 402 1HG1 ILE 50 1HG1 ILE 50 12.292 5.650 -16.034 403 2HG1 ILE 50 2HG1 ILE 50 12.243 3.931 -16.298 404 1HG2 ILE 50 1HG2 ILE 50 11.884 5.697 -12.614 405 2HG2 ILE 50 2HG2 ILE 50 11.317 6.743 -13.931 406 3HG2 ILE 50 3HG2 ILE 50 12.914 5.967 -14.017 407 1HD1 ILE 50 1HD1 ILE 50 9.990 4.002 -17.182 408 2HD1 ILE 50 2HD1 ILE 50 10.669 5.561 -17.718 409 3HD1 ILE 50 3HD1 ILE 50 9.568 5.468 -16.338 410 H ILE 51 H ILE 51 13.150 3.915 -11.693 411 HA ILE 51 HA ILE 51 10.757 3.146 -9.974 412 HB ILE 51 HB ILE 51 13.735 3.031 -9.306 413 1HG1 ILE 51 1HG1 ILE 51 12.537 1.279 -10.964 414 2HG1 ILE 51 2HG1 ILE 51 13.810 0.811 -9.922 415 1HG2 ILE 51 1HG2 ILE 51 11.180 2.349 -7.727 416 2HG2 ILE 51 2HG2 ILE 51 12.426 3.560 -7.346 417 3HG2 ILE 51 3HG2 ILE 51 12.773 1.824 -7.201 418 1HD1 ILE 51 1HD1 ILE 51 10.844 0.318 -9.560 419 2HD1 ILE 51 2HD1 ILE 51 11.944 0.142 -8.147 420 3HD1 ILE 51 3HD1 ILE 51 12.134 -0.888 -9.562 421 H ARG 52 H ARG 52 9.824 5.055 -9.579 422 HA ARG 52 HA ARG 52 11.540 7.354 -8.980 423 1HB ARG 52 1HB ARG 52 8.577 7.000 -9.347 424 2HB ARG 52 2HB ARG 52 9.277 8.542 -8.762 425 1HG ARG 52 1HG ARG 52 10.364 8.986 -10.768 426 2HG ARG 52 2HG ARG 52 10.470 7.320 -11.240 427 1HD ARG 52 1HD ARG 52 8.832 8.766 -12.540 428 2HD ARG 52 2HD ARG 52 8.171 7.227 -11.956 429 HE ARG 52 HE ARG 52 6.712 8.302 -10.642 430 1HH1 ARG 52 1HH1 ARG 52 9.249 10.548 -11.508 431 2HH1 ARG 52 2HH1 ARG 52 8.469 11.929 -10.792 432 1HH2 ARG 52 1HH2 ARG 52 5.602 10.190 -9.658 433 2HH2 ARG 52 2HH2 ARG 52 6.447 11.687 -9.760 434 H THR 53 H THR 53 12.286 7.546 -6.969 435 HA THR 53 HA THR 53 10.592 6.600 -4.632 436 HB THR 53 HB THR 53 13.527 7.360 -4.481 437 HG1 THR 53 HG1 THR 53 12.725 5.396 -5.999 438 1HG2 THR 53 1HG2 THR 53 13.258 5.347 -2.637 439 2HG2 THR 53 2HG2 THR 53 11.524 5.589 -2.952 440 3HG2 THR 53 3HG2 THR 53 12.509 6.895 -2.309 441 H LEU 54 H LEU 54 9.354 8.306 -4.531 442 HA LEU 54 HA LEU 54 10.409 11.066 -4.676 443 1HB LEU 54 1HB LEU 54 7.855 9.788 -5.009 444 2HB LEU 54 2HB LEU 54 7.817 11.342 -4.241 445 HG LEU 54 HG LEU 54 7.661 11.362 -6.779 446 1HD1 LEU 54 1HD1 LEU 54 9.704 13.194 -6.818 447 2HD1 LEU 54 2HD1 LEU 54 9.502 12.937 -5.075 448 3HD1 LEU 54 3HD1 LEU 54 8.130 13.495 -6.026 449 1HD2 LEU 54 1HD2 LEU 54 9.935 9.668 -6.758 450 2HD2 LEU 54 2HD2 LEU 54 10.588 11.214 -7.269 451 3HD2 LEU 54 3HD2 LEU 54 9.206 10.493 -8.133 452 H SER 55 H SER 55 10.364 12.563 -3.153 453 HA SER 55 HA SER 55 9.040 12.197 -0.552 454 1HB SER 55 1HB SER 55 11.946 12.884 -0.256 455 2HB SER 55 2HB SER 55 10.844 11.993 0.811 456 HG SER 55 HG SER 55 12.417 10.626 -0.087 457 H THR 56 H THR 56 9.719 14.285 0.797 458 HA THR 56 HA THR 56 9.569 16.571 -1.138 459 HB THR 56 HB THR 56 8.854 17.916 0.645 460 HG1 THR 56 HG1 THR 56 9.384 15.808 2.442 461 1HG2 THR 56 1HG2 THR 56 7.006 16.523 -0.261 462 2HG2 THR 56 2HG2 THR 56 6.761 16.677 1.514 463 3HG2 THR 56 3HG2 THR 56 7.440 15.195 0.830 464 H PHE 57 H PHE 57 11.841 14.921 0.689 465 HA PHE 57 HA PHE 57 13.571 17.247 1.277 466 1HB PHE 57 1HB PHE 57 13.245 15.030 2.770 467 2HB PHE 57 2HB PHE 57 14.445 14.399 1.609 468 HD1 PHE 57 HD1 PHE 57 13.781 16.981 4.223 469 HD2 PHE 57 HD2 PHE 57 16.764 15.124 1.789 470 HE1 PHE 57 HE1 PHE 57 15.499 18.071 5.564 471 HE2 PHE 57 HE2 PHE 57 18.572 16.243 3.167 472 HZ PHE 57 HZ PHE 57 17.904 17.720 5.065 473 H ARG 58 H ARG 58 13.612 14.149 -0.554 474 HA ARG 58 HA ARG 58 15.078 15.363 -2.779 475 1HB ARG 58 1HB ARG 58 17.162 14.686 -2.434 476 2HB ARG 58 2HB ARG 58 16.656 14.825 -0.753 477 1HG ARG 58 1HG ARG 58 17.347 12.673 -0.462 478 2HG ARG 58 2HG ARG 58 16.048 12.129 -1.517 479 1HD ARG 58 1HD ARG 58 18.352 11.434 -2.305 480 2HD ARG 58 2HD ARG 58 17.543 12.477 -3.512 481 HE ARG 58 HE ARG 58 19.124 14.118 -3.130 482 1HH1 ARG 58 1HH1 ARG 58 19.275 11.665 -0.651 483 2HH1 ARG 58 2HH1 ARG 58 20.729 12.255 0.056 484 1HH2 ARG 58 1HH2 ARG 58 21.035 14.938 -2.267 485 2HH2 ARG 58 2HH2 ARG 58 21.789 14.186 -0.911 486 H ASN 59 H ASN 59 16.000 13.389 -4.167 487 HA ASN 59 HA ASN 59 13.944 11.206 -4.119 488 1HB ASN 59 1HB ASN 59 13.434 11.397 -6.466 489 2HB ASN 59 2HB ASN 59 13.049 12.908 -5.624 490 1HD2 ASN 59 1HD2 ASN 59 16.470 12.967 -5.998 491 2HD2 ASN 59 2HD2 ASN 59 16.451 13.858 -7.473 492 H TYR 60 H TYR 60 14.309 9.436 -5.371 493 HA TYR 60 HA TYR 60 17.140 8.844 -6.114 494 1HB TYR 60 1HB TYR 60 15.866 7.734 -3.936 495 2HB TYR 60 2HB TYR 60 15.347 6.622 -5.235 496 HD1 TYR 60 HD1 TYR 60 17.878 7.206 -7.008 497 HD2 TYR 60 HD2 TYR 60 17.443 6.043 -2.904 498 HE1 TYR 60 HE1 TYR 60 20.084 6.166 -7.070 499 HE2 TYR 60 HE2 TYR 60 19.659 4.985 -2.927 500 HH TYR 60 HH TYR 60 21.459 4.561 -4.108 501 H ILE 61 H ILE 61 17.145 8.692 -8.192 502 HA ILE 61 HA ILE 61 14.692 7.609 -9.592 503 HB ILE 61 HB ILE 61 16.822 9.393 -10.789 504 1HG1 ILE 61 1HG1 ILE 61 15.867 10.717 -9.185 505 2HG1 ILE 61 2HG1 ILE 61 15.080 11.166 -10.664 506 1HG2 ILE 61 1HG2 ILE 61 14.734 9.694 -12.440 507 2HG2 ILE 61 2HG2 ILE 61 14.269 8.103 -11.779 508 3HG2 ILE 61 3HG2 ILE 61 15.798 8.267 -12.614 509 1HD1 ILE 61 1HD1 ILE 61 13.708 9.234 -8.755 510 2HD1 ILE 61 2HD1 ILE 61 12.917 10.213 -10.036 511 3HD1 ILE 61 3HD1 ILE 61 13.565 10.980 -8.572 512 H MET 62 H MET 62 14.913 5.728 -10.660 513 HA MET 62 HA MET 62 17.604 4.787 -11.456 514 1HB MET 62 1HB MET 62 15.536 3.447 -9.737 515 2HB MET 62 2HB MET 62 16.148 2.487 -11.056 516 1HG MET 62 1HG MET 62 18.498 3.116 -10.277 517 2HG MET 62 2HG MET 62 17.711 3.808 -8.808 518 1HE MET 62 1HE MET 62 19.635 1.122 -7.649 519 2HE MET 62 2HE MET 62 19.960 1.679 -9.319 520 3HE MET 62 3HE MET 62 19.534 -0.019 -9.017 521 H ASP 63 H ASP 63 17.403 3.292 -13.357 522 HA ASP 63 HA ASP 63 14.786 3.342 -14.792 523 1HB ASP 63 1HB ASP 63 17.545 4.464 -15.567 524 2HB ASP 63 2HB ASP 63 16.481 3.833 -16.842 525 H PHE 64 H PHE 64 15.035 1.166 -13.851 526 HA PHE 64 HA PHE 64 17.216 -0.597 -14.718 527 1HB PHE 64 1HB PHE 64 14.696 -0.689 -13.154 528 2HB PHE 64 2HB PHE 64 15.257 -2.260 -13.827 529 HD1 PHE 64 HD1 PHE 64 15.374 -2.847 -11.345 530 HD2 PHE 64 HD2 PHE 64 18.030 0.046 -13.135 531 HE1 PHE 64 HE1 PHE 64 16.915 -3.138 -9.501 532 HE2 PHE 64 HE2 PHE 64 19.560 -0.222 -11.288 533 HZ PHE 64 HZ PHE 64 19.047 -1.848 -9.424 534 H GLN 65 H GLN 65 16.893 -2.532 -15.716 535 HA GLN 65 HA GLN 65 14.893 -2.659 -17.904 536 1HB GLN 65 1HB GLN 65 17.855 -2.626 -17.990 537 2HB GLN 65 2HB GLN 65 17.179 -3.997 -18.849 538 1HG GLN 65 1HG GLN 65 15.929 -2.506 -20.358 539 2HG GLN 65 2HG GLN 65 16.260 -1.104 -19.312 540 1HE2 GLN 65 1HE2 GLN 65 17.712 0.288 -20.075 541 2HE2 GLN 65 2HE2 GLN 65 19.094 -0.132 -21.035 542 H VAL 66 H VAL 66 13.689 -4.322 -17.310 543 HA VAL 66 HA VAL 66 14.576 -6.460 -15.644 544 HB VAL 66 HB VAL 66 12.050 -5.646 -16.587 545 1HG1 VAL 66 1HG1 VAL 66 11.009 -7.587 -17.525 546 2HG1 VAL 66 2HG1 VAL 66 12.515 -8.570 -17.440 547 3HG1 VAL 66 3HG1 VAL 66 12.390 -7.242 -18.580 548 1HG2 VAL 66 1HG2 VAL 66 13.249 -7.611 -14.705 549 2HG2 VAL 66 2HG2 VAL 66 11.629 -8.078 -15.238 550 3HG2 VAL 66 3HG2 VAL 66 11.890 -6.480 -14.472 551 H GLY 67 H GLY 67 15.418 -8.417 -16.146 552 1HA GLY 67 1HA GLY 67 16.557 -10.013 -17.349 553 2HA GLY 67 2HA GLY 67 15.316 -9.906 -18.550 554 H LYS 68 H LYS 68 17.759 -7.383 -17.658 555 HA LYS 68 HA LYS 68 19.368 -8.013 -20.033 556 1HB LYS 68 1HB LYS 68 17.544 -5.651 -19.980 557 2HB LYS 68 2HB LYS 68 19.158 -5.409 -20.555 558 1HG LYS 68 1HG LYS 68 18.297 -7.894 -21.769 559 2HG LYS 68 2HG LYS 68 16.934 -6.801 -21.945 560 1HD LYS 68 1HD LYS 68 19.485 -5.439 -22.491 561 2HD LYS 68 2HD LYS 68 19.264 -6.867 -23.538 562 1HE LYS 68 1HE LYS 68 18.126 -5.265 -24.818 563 2HE LYS 68 2HE LYS 68 16.793 -5.747 -23.714 564 1HZ LYS 68 1HZ LYS 68 16.751 -3.461 -23.653 565 2HZ LYS 68 2HZ LYS 68 18.452 -3.324 -23.612 566 3HZ LYS 68 3HZ LYS 68 17.625 -3.859 -22.268 567 H GLU 69 H GLU 69 21.384 -7.312 -19.918 568 HA GLU 69 HA GLU 69 22.547 -6.492 -17.455 569 1HB GLU 69 1HB GLU 69 23.581 -7.335 -19.721 570 2HB GLU 69 2HB GLU 69 23.924 -5.616 -19.963 571 1HG GLU 69 1HG GLU 69 25.151 -5.540 -17.813 572 2HG GLU 69 2HG GLU 69 24.591 -7.133 -17.405 573 H PHE 70 H PHE 70 23.034 -4.627 -16.465 574 HA PHE 70 HA PHE 70 22.495 -2.065 -17.878 575 1HB PHE 70 1HB PHE 70 20.449 -2.930 -16.681 576 2HB PHE 70 2HB PHE 70 21.238 -2.555 -15.149 577 HD1 PHE 70 HD1 PHE 70 19.746 -1.137 -18.278 578 HD2 PHE 70 HD2 PHE 70 21.735 -0.199 -14.548 579 HE1 PHE 70 HE1 PHE 70 19.084 1.219 -18.561 580 HE2 PHE 70 HE2 PHE 70 21.032 2.178 -14.845 581 HZ PHE 70 HZ PHE 70 19.730 2.856 -16.830 582 H GLU 71 H GLU 71 24.534 -1.447 -17.892 583 HA GLU 71 HA GLU 71 26.222 -1.568 -15.452 584 1HB GLU 71 1HB GLU 71 27.190 -1.651 -17.784 585 2HB GLU 71 2HB GLU 71 26.710 0.080 -17.970 586 1HG GLU 71 1HG GLU 71 28.033 0.800 -16.144 587 2HG GLU 71 2HG GLU 71 28.431 -0.798 -15.591 588 H GLU 72 H GLU 72 26.486 0.034 -13.991 589 HA GLU 72 HA GLU 72 25.099 2.624 -14.399 590 1HB GLU 72 1HB GLU 72 24.139 0.498 -12.885 591 2HB GLU 72 2HB GLU 72 24.709 1.683 -11.690 592 1HG GLU 72 1HG GLU 72 23.124 2.730 -14.035 593 2HG GLU 72 2HG GLU 72 22.213 1.933 -12.768 594 H ASP 73 H ASP 73 26.214 4.317 -13.740 595 HA ASP 73 HA ASP 73 28.720 3.857 -12.138 596 1HB ASP 73 1HB ASP 73 29.462 5.990 -13.014 597 2HB ASP 73 2HB ASP 73 29.070 4.791 -14.307 598 H LEU 74 H LEU 74 28.653 4.348 -10.073 599 HA LEU 74 HA LEU 74 26.853 6.548 -9.108 600 1HB LEU 74 1HB LEU 74 26.601 3.976 -8.635 601 2HB LEU 74 2HB LEU 74 27.538 4.471 -7.223 602 HG LEU 74 HG LEU 74 25.219 4.663 -6.680 603 1HD1 LEU 74 1HD1 LEU 74 26.150 7.504 -7.321 604 2HD1 LEU 74 2HD1 LEU 74 26.591 6.581 -5.895 605 3HD1 LEU 74 3HD1 LEU 74 24.894 6.995 -6.177 606 1HD2 LEU 74 1HD2 LEU 74 23.655 5.058 -8.369 607 2HD2 LEU 74 2HD2 LEU 74 24.945 5.405 -9.531 608 3HD2 LEU 74 3HD2 LEU 74 24.254 6.719 -8.571 609 H THR 75 H THR 75 27.830 8.175 -8.165 610 HA THR 75 HA THR 75 30.188 7.724 -6.435 611 HB THR 75 HB THR 75 30.649 10.205 -7.679 612 HG1 THR 75 HG1 THR 75 30.793 8.315 -9.739 613 1HG2 THR 75 1HG2 THR 75 32.836 8.987 -8.542 614 2HG2 THR 75 2HG2 THR 75 32.148 7.515 -7.827 615 3HG2 THR 75 3HG2 THR 75 32.525 8.903 -6.802 616 H GLY 76 H GLY 76 29.229 8.332 -4.562 617 1HA GLY 76 1HA GLY 76 28.894 10.755 -3.561 618 2HA GLY 76 2HA GLY 76 27.462 10.756 -4.657 619 H ILE 77 H ILE 77 25.787 9.083 -4.366 620 HA ILE 77 HA ILE 77 25.346 8.577 -1.478 621 HB ILE 77 HB ILE 77 23.479 7.547 -3.626 622 1HG1 ILE 77 1HG1 ILE 77 22.625 10.230 -3.089 623 2HG1 ILE 77 2HG1 ILE 77 24.313 10.365 -3.439 624 1HG2 ILE 77 1HG2 ILE 77 22.146 9.137 -1.541 625 2HG2 ILE 77 2HG2 ILE 77 23.305 8.058 -0.773 626 3HG2 ILE 77 3HG2 ILE 77 22.024 7.415 -1.833 627 1HD1 ILE 77 1HD1 ILE 77 22.158 9.026 -5.184 628 2HD1 ILE 77 2HD1 ILE 77 23.881 9.078 -5.647 629 3HD1 ILE 77 3HD1 ILE 77 22.978 10.582 -5.524 630 H ASP 78 H ASP 78 26.764 7.016 -0.855 631 HA ASP 78 HA ASP 78 27.354 4.805 -0.432 632 1HB ASP 78 1HB ASP 78 25.707 3.493 -0.537 633 2HB ASP 78 2HB ASP 78 24.909 4.458 -1.773 634 H ASP 79 H ASP 79 27.629 6.147 -3.710 635 HA ASP 79 HA ASP 79 29.032 5.777 -5.448 636 1HB ASP 79 1HB ASP 79 31.271 5.702 -4.966 637 2HB ASP 79 2HB ASP 79 30.483 6.656 -3.682 638 H ARG 80 H ARG 80 31.126 4.064 -5.931 639 HA ARG 80 HA ARG 80 31.730 1.935 -6.505 640 1HB ARG 80 1HB ARG 80 30.291 1.250 -4.361 641 2HB ARG 80 2HB ARG 80 29.201 0.662 -5.630 642 1HG ARG 80 1HG ARG 80 31.001 -0.720 -6.534 643 2HG ARG 80 2HG ARG 80 32.193 -0.027 -5.484 644 1HD ARG 80 1HD ARG 80 30.077 -2.106 -4.924 645 2HD ARG 80 2HD ARG 80 31.722 -1.929 -4.283 646 HE ARG 80 HE ARG 80 29.300 -0.957 -3.093 647 1HH1 ARG 80 1HH1 ARG 80 32.694 -0.285 -3.426 648 2HH1 ARG 80 2HH1 ARG 80 32.872 0.631 -1.959 649 1HH2 ARG 80 1HH2 ARG 80 29.448 0.223 -1.140 650 2HH2 ARG 80 2HH2 ARG 80 30.957 0.924 -0.605 651 H LYS 81 H LYS 81 31.507 0.780 -8.382 652 HA LYS 81 HA LYS 81 29.349 1.793 -10.180 653 1HB LYS 81 1HB LYS 81 30.757 1.007 -11.983 654 2HB LYS 81 2HB LYS 81 31.865 1.651 -10.824 655 1HG LYS 81 1HG LYS 81 32.393 -0.651 -9.953 656 2HG LYS 81 2HG LYS 81 31.120 -1.298 -11.052 657 1HD LYS 81 1HD LYS 81 32.723 0.106 -12.781 658 2HD LYS 81 2HD LYS 81 33.945 -0.372 -11.609 659 1HE LYS 81 1HE LYS 81 32.494 -2.783 -12.122 660 2HE LYS 81 2HE LYS 81 32.521 -1.992 -13.690 661 1HZ LYS 81 1HZ LYS 81 34.988 -1.783 -13.464 662 2HZ LYS 81 2HZ LYS 81 34.413 -3.377 -13.483 663 3HZ LYS 81 3HZ LYS 81 34.941 -2.679 -12.064 664 H CYS 82 H CYS 82 28.315 -0.051 -11.485 665 HA CYS 82 HA CYS 82 28.337 -2.753 -10.336 666 1HB CYS 82 1HB CYS 82 25.624 -2.403 -10.161 667 2HB CYS 82 2HB CYS 82 26.650 -2.143 -8.812 668 HG CYS 82 HG CYS 82 25.576 -0.174 -8.337 669 H MET 83 H MET 83 27.557 -4.255 -11.683 670 HA MET 83 HA MET 83 26.720 -3.196 -14.389 671 1HB MET 83 1HB MET 83 27.914 -5.959 -13.814 672 2HB MET 83 2HB MET 83 27.611 -5.205 -15.384 673 1HG MET 83 1HG MET 83 29.494 -3.596 -15.036 674 2HG MET 83 2HG MET 83 29.731 -4.261 -13.407 675 1HE MET 83 1HE MET 83 32.055 -5.564 -13.160 676 2HE MET 83 2HE MET 83 32.315 -4.240 -14.312 677 3HE MET 83 3HE MET 83 32.970 -5.862 -14.637 678 H THR 84 H THR 84 24.942 -3.200 -12.527 679 HA THR 84 HA THR 84 23.515 -5.430 -11.696 680 HB THR 84 HB THR 84 22.472 -2.732 -12.439 681 HG1 THR 84 HG1 THR 84 22.960 -2.240 -10.456 682 1HG2 THR 84 1HG2 THR 84 20.570 -3.281 -11.112 683 2HG2 THR 84 2HG2 THR 84 21.334 -4.750 -10.451 684 3HG2 THR 84 3HG2 THR 84 20.779 -4.726 -12.144 685 H THR 85 H THR 85 22.389 -6.967 -12.573 686 HA THR 85 HA THR 85 21.111 -6.492 -15.227 687 HB THR 85 HB THR 85 21.991 -9.203 -14.106 688 HG1 THR 85 HG1 THR 85 23.637 -8.612 -16.008 689 1HG2 THR 85 1HG2 THR 85 21.729 -8.588 -17.083 690 2HG2 THR 85 2HG2 THR 85 20.232 -8.701 -16.175 691 3HG2 THR 85 3HG2 THR 85 21.321 -10.091 -16.181 692 H VAL 86 H VAL 86 19.041 -6.282 -14.769 693 HA VAL 86 HA VAL 86 17.899 -7.472 -12.369 694 HB VAL 86 HB VAL 86 16.498 -5.838 -14.571 695 1HG1 VAL 86 1HG1 VAL 86 14.713 -6.748 -13.394 696 2HG1 VAL 86 2HG1 VAL 86 14.971 -5.376 -12.337 697 3HG1 VAL 86 3HG1 VAL 86 15.630 -6.951 -11.881 698 1HG2 VAL 86 1HG2 VAL 86 17.024 -4.475 -11.981 699 2HG2 VAL 86 2HG2 VAL 86 17.283 -3.906 -13.649 700 3HG2 VAL 86 3HG2 VAL 86 18.514 -4.888 -12.838 701 H SER 87 H SER 87 15.922 -8.860 -12.768 702 HA SER 87 HA SER 87 15.697 -10.222 -15.398 703 1HB SER 87 1HB SER 87 16.190 -12.001 -13.048 704 2HB SER 87 2HB SER 87 16.602 -12.290 -14.734 705 HG SER 87 HG SER 87 18.465 -11.905 -13.582 706 H TRP 88 H TRP 88 14.144 -11.926 -15.435 707 HA TRP 88 HA TRP 88 11.955 -11.477 -13.442 708 1HB TRP 88 1HB TRP 88 10.731 -10.905 -15.278 709 2HB TRP 88 2HB TRP 88 11.957 -11.431 -16.400 710 HD1 TRP 88 HD1 TRP 88 9.671 -13.306 -13.869 711 HE1 TRP 88 HE1 TRP 88 8.433 -15.225 -15.098 712 HE3 TRP 88 HE3 TRP 88 11.585 -12.604 -18.634 713 HZ2 TRP 88 HZ2 TRP 88 8.289 -16.295 -17.703 714 HZ3 TRP 88 HZ3 TRP 88 10.796 -14.159 -20.398 715 HH2 TRP 88 HH2 TRP 88 9.198 -15.941 -19.939 716 H ASP 89 H ASP 89 11.527 -13.221 -12.277 717 HA ASP 89 HA ASP 89 12.072 -15.949 -13.318 718 1HB ASP 89 1HB ASP 89 13.961 -14.770 -11.737 719 2HB ASP 89 2HB ASP 89 12.795 -15.279 -10.472 720 H GLY 90 H GLY 90 9.917 -16.467 -13.335 721 1HA GLY 90 1HA GLY 90 7.907 -17.048 -12.561 722 2HA GLY 90 2HA GLY 90 8.412 -16.672 -10.858 723 H ASP 91 H ASP 91 6.590 -15.479 -10.307 724 HA ASP 91 HA ASP 91 5.808 -13.133 -12.011 725 1HB ASP 91 1HB ASP 91 4.403 -14.629 -9.835 726 2HB ASP 91 2HB ASP 91 3.990 -12.950 -10.310 727 H LYS 92 H LYS 92 8.303 -13.513 -10.181 728 HA LYS 92 HA LYS 92 7.835 -11.232 -8.312 729 1HB LYS 92 1HB LYS 92 10.231 -13.099 -8.387 730 2HB LYS 92 2HB LYS 92 9.806 -11.904 -7.172 731 1HG LYS 92 1HG LYS 92 7.879 -13.279 -6.485 732 2HG LYS 92 2HG LYS 92 8.044 -14.297 -7.925 733 1HD LYS 92 1HD LYS 92 10.489 -14.184 -6.222 734 2HD LYS 92 2HD LYS 92 9.105 -14.755 -5.316 735 1HE LYS 92 1HE LYS 92 9.902 -15.980 -8.034 736 2HE LYS 92 2HE LYS 92 10.437 -16.609 -6.494 737 1HZ LYS 92 1HZ LYS 92 8.544 -17.807 -6.813 738 2HZ LYS 92 2HZ LYS 92 7.724 -16.569 -7.650 739 3HZ LYS 92 3HZ LYS 92 7.874 -16.474 -5.995 740 H LEU 93 H LEU 93 10.273 -10.156 -8.017 741 HA LEU 93 HA LEU 93 11.312 -9.469 -10.730 742 1HB LEU 93 1HB LEU 93 9.733 -7.715 -9.256 743 2HB LEU 93 2HB LEU 93 11.264 -7.316 -8.592 744 HG LEU 93 HG LEU 93 12.213 -6.925 -10.907 745 1HD1 LEU 93 1HD1 LEU 93 11.071 -7.448 -12.804 746 2HD1 LEU 93 2HD1 LEU 93 9.634 -6.589 -12.195 747 3HD1 LEU 93 3HD1 LEU 93 9.908 -8.279 -11.738 748 1HD2 LEU 93 1HD2 LEU 93 10.141 -5.236 -9.546 749 2HD2 LEU 93 2HD2 LEU 93 10.377 -4.849 -11.246 750 3HD2 LEU 93 3HD2 LEU 93 11.769 -4.856 -10.113 751 H GLN 94 H GLN 94 13.499 -9.726 -10.718 752 HA GLN 94 HA GLN 94 14.792 -9.947 -8.014 753 1HB GLN 94 1HB GLN 94 14.770 -11.718 -10.371 754 2HB GLN 94 2HB GLN 94 16.324 -11.536 -9.571 755 1HG GLN 94 1HG GLN 94 15.231 -13.469 -8.569 756 2HG GLN 94 2HG GLN 94 15.229 -12.206 -7.377 757 1HE2 GLN 94 1HE2 GLN 94 13.299 -11.766 -6.380 758 2HE2 GLN 94 2HE2 GLN 94 11.739 -12.207 -6.980 759 H CYS 95 H CYS 95 16.498 -8.524 -7.812 760 HA CYS 95 HA CYS 95 17.953 -7.737 -10.320 761 1HB CYS 95 1HB CYS 95 18.371 -5.608 -8.712 762 2HB CYS 95 2HB CYS 95 17.094 -5.700 -9.985 763 HG CYS 95 HG CYS 95 15.541 -4.798 -8.490 764 H VAL 96 H VAL 96 20.059 -8.189 -10.301 765 HA VAL 96 HA VAL 96 21.407 -8.671 -7.650 766 HB VAL 96 HB VAL 96 21.782 -10.110 -10.274 767 1HG1 VAL 96 1HG1 VAL 96 23.988 -10.009 -9.507 768 2HG1 VAL 96 2HG1 VAL 96 23.442 -11.396 -8.530 769 3HG1 VAL 96 3HG1 VAL 96 23.562 -9.799 -7.808 770 1HG2 VAL 96 1HG2 VAL 96 20.361 -10.738 -7.739 771 2HG2 VAL 96 2HG2 VAL 96 21.488 -12.021 -8.244 772 3HG2 VAL 96 3HG2 VAL 96 20.227 -11.519 -9.345 773 H GLN 97 H GLN 97 23.384 -7.708 -7.463 774 HA GLN 97 HA GLN 97 24.382 -5.964 -9.709 775 1HB GLN 97 1HB GLN 97 24.774 -5.317 -6.810 776 2HB GLN 97 2HB GLN 97 24.749 -4.240 -8.215 777 1HG GLN 97 1HG GLN 97 22.269 -4.441 -8.333 778 2HG GLN 97 2HG GLN 97 22.244 -5.588 -6.988 779 1HE2 GLN 97 1HE2 GLN 97 21.787 -2.454 -7.894 780 2HE2 GLN 97 2HE2 GLN 97 21.924 -1.684 -6.335 781 H LYS 98 H LYS 98 26.640 -5.856 -9.942 782 HA LYS 98 HA LYS 98 28.060 -8.119 -8.619 783 1HB LYS 98 1HB LYS 98 28.607 -6.395 -10.945 784 2HB LYS 98 2HB LYS 98 30.000 -6.961 -10.034 785 1HG LYS 98 1HG LYS 98 27.817 -8.698 -11.310 786 2HG LYS 98 2HG LYS 98 29.511 -8.533 -11.846 787 1HD LYS 98 1HD LYS 98 30.082 -9.374 -9.458 788 2HD LYS 98 2HD LYS 98 28.397 -9.935 -9.386 789 1HE LYS 98 1HE LYS 98 28.912 -11.218 -11.621 790 2HE LYS 98 2HE LYS 98 30.599 -10.792 -11.408 791 1HZ LYS 98 1HZ LYS 98 30.858 -12.433 -10.085 792 2HZ LYS 98 2HZ LYS 98 29.261 -12.916 -10.254 793 3HZ LYS 98 3HZ LYS 98 29.701 -11.920 -8.962 794 H GLY 99 H GLY 99 29.860 -5.146 -9.330 795 1HA GLY 99 1HA GLY 99 31.229 -3.939 -8.036 796 2HA GLY 99 2HA GLY 99 29.832 -3.756 -6.920 797 H GLU 100 H GLU 100 31.591 -3.653 -5.336 798 HA GLU 100 HA GLU 100 33.182 -6.055 -4.731 799 1HB GLU 100 1HB GLU 100 33.339 -3.379 -4.053 800 2HB GLU 100 2HB GLU 100 33.121 -4.274 -2.538 801 1HG GLU 100 1HG GLU 100 35.421 -4.349 -2.790 802 2HG GLU 100 2HG GLU 100 34.973 -5.910 -3.435 803 H LYS 101 H LYS 101 33.150 -6.296 -2.098 804 HA LYS 101 HA LYS 101 31.980 -7.112 -0.181 805 1HB LYS 101 1HB LYS 101 29.364 -6.277 -1.280 806 2HB LYS 101 2HB LYS 101 29.997 -6.473 0.383 807 1HG LYS 101 1HG LYS 101 31.684 -4.493 -0.595 808 2HG LYS 101 2HG LYS 101 30.132 -4.150 -1.412 809 1HD LYS 101 1HD LYS 101 29.027 -4.467 0.881 810 2HD LYS 101 2HD LYS 101 30.635 -4.435 1.600 811 1HE LYS 101 1HE LYS 101 29.825 -2.136 -0.234 812 2HE LYS 101 2HE LYS 101 29.163 -2.259 1.434 813 1HZ LYS 101 1HZ LYS 101 31.244 -2.066 2.331 814 2HZ LYS 101 2HZ LYS 101 31.327 -0.968 1.075 815 3HZ LYS 101 3HZ LYS 101 32.069 -2.485 0.910 816 H GLU 102 H GLU 102 29.395 -8.307 -0.095 817 HA GLU 102 HA GLU 102 29.338 -10.529 -2.068 818 1HB GLU 102 1HB GLU 102 29.008 -11.379 0.748 819 2HB GLU 102 2HB GLU 102 29.944 -12.130 -0.540 820 1HG GLU 102 1HG GLU 102 30.896 -9.725 1.060 821 2HG GLU 102 2HG GLU 102 31.204 -11.377 1.535 822 H GLY 103 H GLY 103 27.418 -8.193 -0.924 823 1HA GLY 103 1HA GLY 103 25.120 -10.020 -0.961 824 2HA GLY 103 2HA GLY 103 25.320 -9.242 0.525 825 H ARG 104 H ARG 104 26.063 -7.526 -2.515 826 HA ARG 104 HA ARG 104 24.013 -5.542 -1.883 827 1HB ARG 104 1HB ARG 104 25.959 -5.652 -4.181 828 2HB ARG 104 2HB ARG 104 24.932 -4.260 -3.769 829 1HG ARG 104 1HG ARG 104 26.210 -4.704 -1.357 830 2HG ARG 104 2HG ARG 104 27.462 -5.175 -2.516 831 1HD ARG 104 1HD ARG 104 26.040 -2.518 -2.137 832 2HD ARG 104 2HD ARG 104 27.794 -2.833 -2.187 833 HE ARG 104 HE ARG 104 27.187 -3.578 -4.663 834 1HH1 ARG 104 1HH1 ARG 104 25.917 -0.811 -3.002 835 2HH1 ARG 104 2HH1 ARG 104 25.640 0.144 -4.406 836 1HH2 ARG 104 1HH2 ARG 104 26.923 -2.519 -6.492 837 2HH2 ARG 104 2HH2 ARG 104 26.282 -0.918 -6.601 838 H GLY 105 H GLY 105 22.071 -5.724 -2.596 839 1HA GLY 105 1HA GLY 105 21.111 -5.993 -5.227 840 2HA GLY 105 2HA GLY 105 21.296 -7.681 -4.619 841 H TRP 106 H TRP 106 18.801 -6.141 -5.337 842 HA TRP 106 HA TRP 106 17.484 -6.197 -2.653 843 1HB TRP 106 1HB TRP 106 16.245 -4.812 -4.978 844 2HB TRP 106 2HB TRP 106 15.972 -4.613 -3.248 845 HD1 TRP 106 HD1 TRP 106 19.356 -4.293 -2.717 846 HE1 TRP 106 HE1 TRP 106 20.373 -2.021 -3.174 847 HE3 TRP 106 HE3 TRP 106 15.630 -2.461 -5.756 848 HZ2 TRP 106 HZ2 TRP 106 19.709 0.288 -4.656 849 HZ3 TRP 106 HZ3 TRP 106 15.937 -0.180 -6.657 850 HH2 TRP 106 HH2 TRP 106 17.951 1.201 -6.130 851 H THR 107 H THR 107 15.292 -7.013 -2.745 852 HA THR 107 HA THR 107 14.701 -8.864 -4.966 853 HB THR 107 HB THR 107 14.487 -9.747 -2.090 854 HG1 THR 107 HG1 THR 107 16.635 -9.712 -3.856 855 1HG2 THR 107 1HG2 THR 107 13.273 -11.064 -3.916 856 2HG2 THR 107 2HG2 THR 107 14.689 -12.046 -3.413 857 3HG2 THR 107 3HG2 THR 107 14.776 -11.083 -4.878 858 H GLN 108 H GLN 108 12.600 -8.829 -5.424 859 HA GLN 108 HA GLN 108 10.688 -7.599 -3.477 860 1HB GLN 108 1HB GLN 108 11.282 -7.168 -6.396 861 2HB GLN 108 2HB GLN 108 9.614 -7.368 -6.135 862 1HG GLN 108 1HG GLN 108 10.151 -5.615 -4.134 863 2HG GLN 108 2HG GLN 108 11.526 -5.270 -5.239 864 1HE2 GLN 108 1HE2 GLN 108 10.327 -3.105 -5.214 865 2HE2 GLN 108 2HE2 GLN 108 9.073 -2.835 -6.414 866 H TRP 109 H TRP 109 8.937 -8.771 -2.994 867 HA TRP 109 HA TRP 109 8.052 -11.123 -4.666 868 1HB TRP 109 1HB TRP 109 9.109 -12.504 -3.263 869 2HB TRP 109 2HB TRP 109 9.354 -11.237 -2.067 870 HD1 TRP 109 HD1 TRP 109 5.717 -12.217 -2.968 871 HE1 TRP 109 HE1 TRP 109 4.593 -13.440 -0.951 872 HE3 TRP 109 HE3 TRP 109 9.870 -12.697 -0.018 873 HZ2 TRP 109 HZ2 TRP 109 5.401 -14.443 1.508 874 HZ3 TRP 109 HZ3 TRP 109 9.625 -13.804 2.157 875 HH2 TRP 109 HH2 TRP 109 7.377 -14.671 2.903 876 H ILE 110 H ILE 110 6.094 -10.613 -5.187 877 HA ILE 110 HA ILE 110 4.367 -8.743 -3.693 878 HB ILE 110 HB ILE 110 4.634 -9.799 -6.381 879 1HG1 ILE 110 1HG1 ILE 110 3.311 -7.393 -4.999 880 2HG1 ILE 110 2HG1 ILE 110 4.897 -7.433 -5.648 881 1HG2 ILE 110 1HG2 ILE 110 2.142 -9.721 -6.906 882 2HG2 ILE 110 2HG2 ILE 110 1.798 -9.728 -5.187 883 3HG2 ILE 110 3HG2 ILE 110 2.582 -11.127 -5.935 884 1HD1 ILE 110 1HD1 ILE 110 2.289 -7.748 -7.298 885 2HD1 ILE 110 2HD1 ILE 110 3.926 -7.695 -7.946 886 3HD1 ILE 110 3HD1 ILE 110 3.215 -6.264 -7.160 887 H GLU 111 H GLU 111 2.403 -9.163 -2.788 888 HA GLU 111 HA GLU 111 1.326 -11.906 -2.878 889 1HB GLU 111 1HB GLU 111 2.624 -12.200 -0.926 890 2HB GLU 111 2HB GLU 111 2.462 -10.497 -0.460 891 1HG GLU 111 1HG GLU 111 0.676 -10.875 0.807 892 2HG GLU 111 2HG GLU 111 -0.079 -11.907 -0.425 893 H GLY 112 H GLY 112 -0.884 -11.692 -3.078 894 1HA GLY 112 1HA GLY 112 -2.912 -10.690 -3.391 895 2HA GLY 112 2HA GLY 112 -2.708 -10.058 -1.716 896 H ASP 113 H ASP 113 -3.069 -7.926 -1.691 897 HA ASP 113 HA ASP 113 -2.258 -6.250 -3.981 898 1HB ASP 113 1HB ASP 113 -4.603 -6.235 -2.843 899 2HB ASP 113 2HB ASP 113 -3.767 -5.389 -1.524 900 H GLU 114 H GLU 114 -0.171 -7.296 -2.056 901 HA GLU 114 HA GLU 114 0.970 -4.569 -1.379 902 1HB GLU 114 1HB GLU 114 1.990 -5.883 0.656 903 2HB GLU 114 2HB GLU 114 0.571 -4.819 0.710 904 1HG GLU 114 1HG GLU 114 -0.090 -7.651 0.166 905 2HG GLU 114 2HG GLU 114 0.734 -7.373 1.724 906 H LEU 115 H LEU 115 3.072 -4.418 -1.245 907 HA LEU 115 HA LEU 115 4.562 -6.646 -2.561 908 1HB LEU 115 1HB LEU 115 4.342 -4.442 -3.786 909 2HB LEU 115 2HB LEU 115 4.901 -3.574 -2.404 910 HG LEU 115 HG LEU 115 7.176 -4.111 -2.797 911 1HD1 LEU 115 1HD1 LEU 115 6.085 -6.590 -4.060 912 2HD1 LEU 115 2HD1 LEU 115 7.320 -6.441 -2.758 913 3HD1 LEU 115 3HD1 LEU 115 7.707 -6.022 -4.432 914 1HD2 LEU 115 1HD2 LEU 115 7.462 -3.390 -5.031 915 2HD2 LEU 115 2HD2 LEU 115 5.669 -3.257 -5.107 916 3HD2 LEU 115 3HD2 LEU 115 6.480 -4.680 -5.715 917 H HIS 116 H HIS 116 6.210 -7.576 -1.504 918 HA HIS 116 HA HIS 116 6.939 -6.386 1.158 919 1HB HIS 116 1HB HIS 116 6.552 -9.146 0.047 920 2HB HIS 116 2HB HIS 116 7.796 -8.952 1.339 921 HD1 HIS 116 HD1 HIS 116 4.136 -8.110 0.702 922 HD2 HIS 116 HD2 HIS 116 6.814 -8.949 3.830 923 HE1 HIS 116 HE1 HIS 116 2.716 -8.219 2.858 924 HE2 HIS 116 HE2 HIS 116 4.361 -8.726 4.714 925 H LEU 117 H LEU 117 8.675 -5.096 0.560 926 HA LEU 117 HA LEU 117 10.652 -6.134 -1.367 927 1HB LEU 117 1HB LEU 117 9.998 -3.658 -0.909 928 2HB LEU 117 2HB LEU 117 10.960 -3.765 0.449 929 HG LEU 117 HG LEU 117 12.960 -4.294 -0.958 930 1HD1 LEU 117 1HD1 LEU 117 12.637 -3.863 -3.549 931 2HD1 LEU 117 2HD1 LEU 117 10.927 -4.035 -3.211 932 3HD1 LEU 117 3HD1 LEU 117 12.046 -5.394 -2.854 933 1HD2 LEU 117 1HD2 LEU 117 13.369 -2.019 -1.069 934 2HD2 LEU 117 2HD2 LEU 117 11.667 -1.785 -0.687 935 3HD2 LEU 117 3HD2 LEU 117 12.218 -1.789 -2.383 936 H GLU 118 H GLU 118 12.303 -7.505 -0.862 937 HA GLU 118 HA GLU 118 13.326 -7.553 1.961 938 1HB GLU 118 1HB GLU 118 13.390 -9.717 -0.133 939 2HB GLU 118 2HB GLU 118 14.141 -9.794 1.522 940 1HG GLU 118 1HG GLU 118 11.831 -9.307 2.447 941 2HG GLU 118 2HG GLU 118 11.189 -9.479 0.830 942 H MET 119 H MET 119 14.660 -5.814 1.567 943 HA MET 119 HA MET 119 16.491 -5.744 -0.685 944 1HB MET 119 1HB MET 119 15.257 -3.890 0.633 945 2HB MET 119 2HB MET 119 16.563 -4.090 1.849 946 1HG MET 119 1HG MET 119 17.763 -2.569 0.520 947 2HG MET 119 2HG MET 119 17.852 -3.904 -0.677 948 1HE MET 119 1HE MET 119 16.541 -0.189 -1.978 949 2HE MET 119 2HE MET 119 18.032 -1.193 -2.029 950 3HE MET 119 3HE MET 119 17.494 -0.514 -0.484 951 H ARG 120 H ARG 120 18.876 -5.857 -0.418 952 HA ARG 120 HA ARG 120 19.827 -6.926 2.241 953 1HB ARG 120 1HB ARG 120 20.544 -8.126 -0.396 954 2HB ARG 120 2HB ARG 120 20.926 -8.782 1.200 955 1HG ARG 120 1HG ARG 120 18.197 -8.767 1.389 956 2HG ARG 120 2HG ARG 120 18.389 -9.013 -0.362 957 1HD ARG 120 1HD ARG 120 20.132 -10.878 0.286 958 2HD ARG 120 2HD ARG 120 19.558 -10.672 1.959 959 HE ARG 120 HE ARG 120 17.331 -11.115 0.271 960 1HH1 ARG 120 1HH1 ARG 120 20.161 -12.851 1.596 961 2HH1 ARG 120 2HH1 ARG 120 19.324 -14.351 1.541 962 1HH2 ARG 120 1HH2 ARG 120 16.320 -13.118 0.245 963 2HH2 ARG 120 2HH2 ARG 120 17.179 -14.557 0.788 964 H ALA 121 H ALA 121 21.897 -6.202 2.775 965 HA ALA 121 HA ALA 121 23.782 -5.496 0.651 966 1HB ALA 121 1HB ALA 121 23.324 -3.352 2.779 967 2HB ALA 121 2HB ALA 121 22.316 -3.354 1.301 968 3HB ALA 121 3HB ALA 121 24.073 -3.194 1.161 969 H GLU 122 H GLU 122 25.746 -5.937 1.247 970 HA GLU 122 HA GLU 122 27.398 -7.058 2.371 971 1HB GLU 122 1HB GLU 122 27.317 -4.604 3.145 972 2HB GLU 122 2HB GLU 122 26.953 -5.273 4.731 973 1HG GLU 122 1HG GLU 122 29.042 -6.857 4.080 974 2HG GLU 122 2HG GLU 122 29.506 -5.370 3.212 975 H GLY 123 H GLY 123 25.056 -8.690 2.846 976 1HA GLY 123 1HA GLY 123 24.872 -10.591 4.274 977 2HA GLY 123 2HA GLY 123 25.831 -9.837 5.480 978 H VAL 124 H VAL 124 23.791 -7.399 4.812 979 HA VAL 124 HA VAL 124 21.882 -8.171 6.998 980 HB VAL 124 HB VAL 124 22.276 -5.583 5.412 981 1HG1 VAL 124 1HG1 VAL 124 20.493 -6.228 7.835 982 2HG1 VAL 124 2HG1 VAL 124 20.077 -5.435 6.320 983 3HG1 VAL 124 3HG1 VAL 124 21.062 -4.564 7.490 984 1HG2 VAL 124 1HG2 VAL 124 24.258 -5.617 6.720 985 2HG2 VAL 124 2HG2 VAL 124 23.565 -6.577 8.040 986 3HG2 VAL 124 3HG2 VAL 124 23.126 -4.863 7.883 987 H THR 125 H THR 125 19.672 -7.946 6.769 988 HA THR 125 HA THR 125 18.662 -7.981 3.939 989 HB THR 125 HB THR 125 18.091 -10.155 5.972 990 HG1 THR 125 HG1 THR 125 19.870 -10.766 5.281 991 1HG2 THR 125 1HG2 THR 125 16.214 -9.486 4.233 992 2HG2 THR 125 2HG2 THR 125 16.778 -11.180 4.202 993 3HG2 THR 125 3HG2 THR 125 17.330 -10.049 2.979 994 H CYS 126 H CYS 126 17.747 -6.035 4.382 995 HA CYS 126 HA CYS 126 15.835 -5.516 6.560 996 1HB CYS 126 1HB CYS 126 16.489 -3.435 6.006 997 2HB CYS 126 2HB CYS 126 17.286 -3.981 4.491 998 HG CYS 126 HG CYS 126 15.222 -2.013 4.718 999 H LYS 127 H LYS 127 13.536 -5.455 6.330 1000 HA LYS 127 HA LYS 127 12.590 -6.516 3.712 1001 1HB LYS 127 1HB LYS 127 10.872 -7.391 5.742 1002 2HB LYS 127 2HB LYS 127 11.775 -8.288 4.486 1003 1HG LYS 127 1HG LYS 127 13.805 -8.338 6.022 1004 2HG LYS 127 2HG LYS 127 12.963 -7.375 7.215 1005 1HD LYS 127 1HD LYS 127 11.776 -9.091 7.982 1006 2HD LYS 127 2HD LYS 127 11.504 -9.869 6.423 1007 1HE LYS 127 1HE LYS 127 12.924 -11.433 7.414 1008 2HE LYS 127 2HE LYS 127 14.051 -10.430 6.453 1009 1HZ LYS 127 1HZ LYS 127 13.718 -10.466 9.368 1010 2HZ LYS 127 2HZ LYS 127 14.313 -9.100 8.570 1011 3HZ LYS 127 3HZ LYS 127 15.092 -10.619 8.402 1012 H GLN 128 H GLN 128 11.652 -4.660 2.967 1013 HA GLN 128 HA GLN 128 9.967 -2.922 4.720 1014 1HB GLN 128 1HB GLN 128 11.437 -2.693 2.227 1015 2HB GLN 128 2HB GLN 128 9.725 -2.295 1.965 1016 1HG GLN 128 1HG GLN 128 9.828 -0.348 3.049 1017 2HG GLN 128 2HG GLN 128 10.775 -0.988 4.357 1018 1HE2 GLN 128 1HE2 GLN 128 11.036 0.010 0.884 1019 2HE2 GLN 128 2HE2 GLN 128 12.671 0.502 0.985 1020 H VAL 129 H VAL 129 7.835 -2.500 4.200 1021 HA VAL 129 HA VAL 129 6.404 -4.317 2.291 1022 HB VAL 129 HB VAL 129 6.360 -5.521 4.476 1023 1HG1 VAL 129 1HG1 VAL 129 4.544 -3.230 5.380 1024 2HG1 VAL 129 2HG1 VAL 129 6.266 -3.275 5.807 1025 3HG1 VAL 129 3HG1 VAL 129 5.220 -4.533 6.424 1026 1HG2 VAL 129 1HG2 VAL 129 3.777 -4.395 3.263 1027 2HG2 VAL 129 2HG2 VAL 129 3.742 -5.597 4.597 1028 3HG2 VAL 129 3HG2 VAL 129 4.438 -6.006 3.023 1029 H PHE 130 H PHE 130 4.682 -3.302 1.312 1030 HA PHE 130 HA PHE 130 3.757 -0.755 2.525 1031 1HB PHE 130 1HB PHE 130 3.739 -0.233 -0.267 1032 2HB PHE 130 2HB PHE 130 4.767 0.508 0.952 1033 HD1 PHE 130 HD1 PHE 130 6.985 -0.914 1.478 1034 HD2 PHE 130 HD2 PHE 130 4.687 -1.238 -2.120 1035 HE1 PHE 130 HE1 PHE 130 8.952 -1.808 0.307 1036 HE2 PHE 130 HE2 PHE 130 6.631 -2.111 -3.276 1037 HZ PHE 130 HZ PHE 130 8.803 -2.431 -2.132 1038 H LYS 131 H LYS 131 1.953 0.032 0.536 1039 HA LYS 131 HA LYS 131 0.220 -2.344 -0.001 1040 1HB LYS 131 1HB LYS 131 -0.196 -1.129 2.195 1041 2HB LYS 131 2HB LYS 131 -0.404 0.342 1.260 1042 1HG LYS 131 1HG LYS 131 -2.544 -1.056 2.070 1043 2HG LYS 131 2HG LYS 131 -2.570 -0.306 0.432 1044 1HD LYS 131 1HD LYS 131 -2.089 -2.441 -0.580 1045 2HD LYS 131 2HD LYS 131 -1.442 -3.073 0.969 1046 1HE LYS 131 1HE LYS 131 -3.603 -4.106 0.582 1047 2HE LYS 131 2HE LYS 131 -3.876 -2.862 1.868 1048 1HZ LYS 131 1HZ LYS 131 -4.597 -1.311 0.195 1049 2HZ LYS 131 2HZ LYS 131 -5.519 -2.742 0.238 1050 3HZ LYS 131 3HZ LYS 131 -4.395 -2.537 -0.982 1051 H LYS 132 H LYS 132 -0.481 -2.080 -2.151 1052 HA LYS 132 HA LYS 132 0.232 0.406 -3.551 1053 1HB LYS 132 1HB LYS 132 -1.086 -2.236 -4.186 1054 2HB LYS 132 2HB LYS 132 -1.088 -0.907 -5.352 1055 1HG LYS 132 1HG LYS 132 1.385 -0.871 -5.462 1056 2HG LYS 132 2HG LYS 132 1.425 -2.185 -4.226 1057 1HD LYS 132 1HD LYS 132 1.644 -3.059 -6.489 1058 2HD LYS 132 2HD LYS 132 0.126 -3.625 -5.743 1059 1HE LYS 132 1HE LYS 132 -1.131 -2.623 -7.411 1060 2HE LYS 132 2HE LYS 132 -0.283 -1.071 -7.170 1061 1HZ LYS 132 1HZ LYS 132 0.148 -1.711 -9.322 1062 2HZ LYS 132 2HZ LYS 132 0.500 -3.307 -8.905 1063 3HZ LYS 132 3HZ LYS 132 1.558 -2.061 -8.505 1064 H VAL 133 H VAL 133 -0.971 2.147 -3.227 1065 HA VAL 133 HA VAL 133 -3.861 1.945 -2.810 1066 HB VAL 133 HB VAL 133 -2.388 4.527 -2.997 1067 1HG1 VAL 133 1HG1 VAL 133 -4.635 5.029 -2.743 1068 2HG1 VAL 133 2HG1 VAL 133 -4.262 4.841 -1.012 1069 3HG1 VAL 133 3HG1 VAL 133 -4.980 3.509 -1.932 1070 1HG2 VAL 133 1HG2 VAL 133 -1.990 4.387 -0.503 1071 2HG2 VAL 133 2HG2 VAL 133 -1.034 3.132 -1.365 1072 3HG2 VAL 133 3HG2 VAL 133 -2.524 2.698 -0.553 1073 H HIS 134 H HIS 134 -1.764 1.891 -5.293 1074 HA HIS 134 HA HIS 134 -1.720 2.440 -7.542 1075 1HB HIS 134 1HB HIS 134 -4.692 2.486 -7.472 1076 2HB HIS 134 2HB HIS 134 -3.596 1.998 -8.759 1077 HD1 HIS 134 HD1 HIS 134 -5.716 0.540 -6.224 1078 HD2 HIS 134 HD2 HIS 134 -1.988 -0.496 -7.942 1079 HE1 HIS 134 HE1 HIS 134 -5.318 -1.962 -5.744 1080 HE2 HIS 134 HE2 HIS 134 -3.069 -2.503 -6.803 Start of MODEL 14 1 1H PRO 1 1H PRO 1 0.934 -12.518 -17.043 2 2H PRO 1 2H PRO 1 0.087 -13.716 -16.317 3 HA PRO 1 HA PRO 1 0.000 -12.045 -14.764 4 1HB PRO 1 1HB PRO 1 2.074 -13.276 -13.300 5 2HB PRO 1 2HB PRO 1 0.382 -13.833 -13.436 6 1HG PRO 1 1HG PRO 1 2.591 -15.293 -14.401 7 2HG PRO 1 2HG PRO 1 0.898 -15.544 -14.833 8 1HD PRO 1 1HD PRO 1 2.954 -13.902 -16.421 9 2HD PRO 1 2HD PRO 1 1.682 -15.071 -16.949 10 H VAL 2 H VAL 2 1.834 -11.318 -12.880 11 HA VAL 2 HA VAL 2 3.566 -9.849 -12.363 12 HB VAL 2 HB VAL 2 4.650 -9.818 -15.178 13 1HG1 VAL 2 1HG1 VAL 2 6.746 -9.549 -14.135 14 2HG1 VAL 2 2HG1 VAL 2 6.165 -10.089 -12.544 15 3HG1 VAL 2 3HG1 VAL 2 5.624 -8.533 -13.180 16 1HG2 VAL 2 1HG2 VAL 2 4.443 -12.145 -15.129 17 2HG2 VAL 2 2HG2 VAL 2 4.426 -12.203 -13.341 18 3HG2 VAL 2 3HG2 VAL 2 5.948 -12.034 -14.228 19 H ASP 3 H ASP 3 2.468 -8.051 -12.019 20 HA ASP 3 HA ASP 3 2.330 -6.083 -14.243 21 1HB ASP 3 1HB ASP 3 -0.048 -5.476 -13.386 22 2HB ASP 3 2HB ASP 3 0.223 -6.688 -14.668 23 H PHE 4 H PHE 4 4.023 -5.247 -12.878 24 HA PHE 4 HA PHE 4 3.794 -4.424 -10.143 25 1HB PHE 4 1HB PHE 4 5.691 -3.944 -12.352 26 2HB PHE 4 2HB PHE 4 5.731 -2.884 -10.925 27 HD1 PHE 4 HD1 PHE 4 4.857 -6.476 -10.958 28 HD2 PHE 4 HD2 PHE 4 7.748 -3.471 -9.968 29 HE1 PHE 4 HE1 PHE 4 6.156 -8.220 -9.694 30 HE2 PHE 4 HE2 PHE 4 9.063 -5.173 -8.700 31 HZ PHE 4 HZ PHE 4 8.261 -7.523 -8.563 32 H ASN 5 H ASN 5 3.222 -2.876 -13.276 33 HA ASN 5 HA ASN 5 3.211 -0.142 -12.776 34 1HB ASN 5 1HB ASN 5 2.879 -1.021 -14.878 35 2HB ASN 5 2HB ASN 5 1.307 -1.767 -14.421 36 1HD2 ASN 5 1HD2 ASN 5 2.086 0.144 -16.562 37 2HD2 ASN 5 2HD2 ASN 5 1.124 1.546 -16.377 38 H GLY 6 H GLY 6 2.487 0.416 -10.570 39 1HA GLY 6 1HA GLY 6 -0.461 0.427 -10.438 40 2HA GLY 6 2HA GLY 6 0.305 -0.471 -9.179 41 H TYR 7 H TYR 7 0.716 0.544 -7.366 42 HA TYR 7 HA TYR 7 1.347 3.375 -7.183 43 1HB TYR 7 1HB TYR 7 -1.408 2.282 -6.813 44 2HB TYR 7 2HB TYR 7 -0.806 3.209 -5.393 45 HD1 TYR 7 HD1 TYR 7 -1.987 3.348 -8.859 46 HD2 TYR 7 HD2 TYR 7 -0.197 5.713 -5.729 47 HE1 TYR 7 HE1 TYR 7 -2.577 5.373 -10.056 48 HE2 TYR 7 HE2 TYR 7 -0.781 7.696 -6.957 49 HH TYR 7 HH TYR 7 -1.195 8.341 -9.403 50 H TRP 8 H TRP 8 0.891 3.533 -4.423 51 HA TRP 8 HA TRP 8 2.234 1.222 -3.108 52 1HB TRP 8 1HB TRP 8 4.115 2.670 -2.506 53 2HB TRP 8 2HB TRP 8 3.891 2.682 -4.239 54 HD1 TRP 8 HD1 TRP 8 3.359 4.945 -1.140 55 HE1 TRP 8 HE1 TRP 8 2.827 7.367 -1.883 56 HE3 TRP 8 HE3 TRP 8 2.931 4.180 -6.179 57 HZ2 TRP 8 HZ2 TRP 8 2.287 8.769 -4.274 58 HZ3 TRP 8 HZ3 TRP 8 2.401 6.140 -7.654 59 HH2 TRP 8 HH2 TRP 8 2.092 8.409 -6.641 60 H LYS 9 H LYS 9 3.078 2.179 -0.940 61 HA LYS 9 HA LYS 9 2.243 4.326 0.388 62 1HB LYS 9 1HB LYS 9 -0.139 3.812 0.256 63 2HB LYS 9 2HB LYS 9 0.167 2.126 0.494 64 1HG LYS 9 1HG LYS 9 0.919 2.717 2.962 65 2HG LYS 9 2HG LYS 9 0.316 4.348 2.645 66 1HD LYS 9 1HD LYS 9 -1.294 1.780 2.660 67 2HD LYS 9 2HD LYS 9 -1.373 3.132 3.803 68 1HE LYS 9 1HE LYS 9 -1.813 4.488 1.418 69 2HE LYS 9 2HE LYS 9 -2.597 2.895 1.094 70 1HZ LYS 9 1HZ LYS 9 -3.674 3.199 3.275 71 2HZ LYS 9 2HZ LYS 9 -4.172 4.303 2.095 72 3HZ LYS 9 3HZ LYS 9 -3.091 4.778 3.331 73 H MET 10 H MET 10 4.069 4.160 1.407 74 HA MET 10 HA MET 10 5.314 1.841 2.276 75 1HB MET 10 1HB MET 10 6.812 3.029 3.406 76 2HB MET 10 2HB MET 10 6.157 4.149 2.166 77 1HG MET 10 1HG MET 10 5.233 4.191 5.073 78 2HG MET 10 2HG MET 10 6.528 5.199 4.477 79 1HE MET 10 1HE MET 10 4.359 6.400 5.859 80 2HE MET 10 2HE MET 10 3.073 7.216 4.932 81 3HE MET 10 3HE MET 10 4.777 7.803 4.832 82 H LEU 11 H LEU 11 5.238 0.551 4.092 83 HA LEU 11 HA LEU 11 3.129 1.192 6.089 84 1HB LEU 11 1HB LEU 11 3.132 -1.063 4.721 85 2HB LEU 11 2HB LEU 11 4.535 -1.446 5.588 86 HG LEU 11 HG LEU 11 2.554 -2.591 6.428 87 1HD1 LEU 11 1HD1 LEU 11 3.380 -0.638 8.603 88 2HD1 LEU 11 2HD1 LEU 11 4.513 -1.848 7.925 89 3HD1 LEU 11 3HD1 LEU 11 3.074 -2.369 8.772 90 1HD2 LEU 11 1HD2 LEU 11 1.416 0.161 6.241 91 2HD2 LEU 11 2HD2 LEU 11 1.334 -0.325 7.931 92 3HD2 LEU 11 3HD2 LEU 11 0.527 -1.280 6.712 93 H SER 12 H SER 12 6.328 -0.403 5.781 94 HA SER 12 HA SER 12 7.467 1.094 8.006 95 1HB SER 12 1HB SER 12 7.371 -0.108 9.748 96 2HB SER 12 2HB SER 12 5.935 -0.814 9.014 97 HG SER 12 HG SER 12 7.145 -2.524 8.397 98 H ASN 13 H ASN 13 9.533 0.948 8.257 99 HA ASN 13 HA ASN 13 11.064 -0.947 6.546 100 1HB ASN 13 1HB ASN 13 11.904 0.914 5.584 101 2HB ASN 13 2HB ASN 13 11.067 2.021 6.741 102 1HD2 ASN 13 1HD2 ASN 13 12.314 3.229 7.988 103 2HD2 ASN 13 2HD2 ASN 13 13.998 2.872 8.389 104 H GLU 14 H GLU 14 13.134 -1.535 7.537 105 HA GLU 14 HA GLU 14 13.418 -1.033 10.472 106 1HB GLU 14 1HB GLU 14 13.170 -3.026 11.294 107 2HB GLU 14 2HB GLU 14 11.745 -2.810 10.250 108 1HG GLU 14 1HG GLU 14 12.228 -4.506 8.854 109 2HG GLU 14 2HG GLU 14 13.904 -4.079 8.782 110 H ASN 15 H ASN 15 15.415 -2.297 11.312 111 HA ASN 15 HA ASN 15 17.739 -2.602 11.136 112 1HB ASN 15 1HB ASN 15 16.393 -4.220 9.145 113 2HB ASN 15 2HB ASN 15 18.077 -3.902 8.759 114 1HD2 ASN 15 1HD2 ASN 15 16.441 -4.260 12.032 115 2HD2 ASN 15 2HD2 ASN 15 17.455 -5.557 12.510 116 H PHE 16 H PHE 16 16.689 -0.009 10.149 117 HA PHE 16 HA PHE 16 17.948 0.604 7.574 118 1HB PHE 16 1HB PHE 16 15.966 1.625 9.085 119 2HB PHE 16 2HB PHE 16 17.289 2.725 9.503 120 HD1 PHE 16 HD1 PHE 16 16.426 1.125 6.195 121 HD2 PHE 16 HD2 PHE 16 16.969 4.708 8.437 122 HE1 PHE 16 HE1 PHE 16 16.118 2.462 4.145 123 HE2 PHE 16 HE2 PHE 16 16.653 6.090 6.361 124 HZ PHE 16 HZ PHE 16 16.228 4.988 4.242 125 H GLU 17 H GLU 17 18.919 0.968 11.032 126 HA GLU 17 HA GLU 17 21.208 2.706 10.405 127 1HB GLU 17 1HB GLU 17 19.816 2.058 12.636 128 2HB GLU 17 2HB GLU 17 21.275 1.100 12.822 129 1HG GLU 17 1HG GLU 17 22.666 3.191 12.542 130 2HG GLU 17 2HG GLU 17 21.219 4.071 12.121 131 H GLU 18 H GLU 18 20.625 -0.779 10.916 132 HA GLU 18 HA GLU 18 23.489 -1.326 10.916 133 1HB GLU 18 1HB GLU 18 21.056 -3.132 10.700 134 2HB GLU 18 2HB GLU 18 22.720 -3.757 10.720 135 1HG GLU 18 1HG GLU 18 23.107 -2.910 12.995 136 2HG GLU 18 2HG GLU 18 21.685 -1.923 12.956 137 H TYR 19 H TYR 19 20.910 -0.993 8.632 138 HA TYR 19 HA TYR 19 21.993 -2.459 6.462 139 1HB TYR 19 1HB TYR 19 19.779 -2.120 6.269 140 2HB TYR 19 2HB TYR 19 19.835 -0.433 6.859 141 HD1 TYR 19 HD1 TYR 19 21.619 -2.197 3.972 142 HD2 TYR 19 HD2 TYR 19 18.971 0.916 5.260 143 HE1 TYR 19 HE1 TYR 19 21.491 -1.312 1.628 144 HE2 TYR 19 HE2 TYR 19 18.798 1.802 2.987 145 HH TYR 19 HH TYR 19 19.749 1.740 1.004 146 H LEU 20 H LEU 20 22.312 1.057 7.433 147 HA LEU 20 HA LEU 20 23.941 1.713 5.083 148 1HB LEU 20 1HB LEU 20 23.701 3.233 7.701 149 2HB LEU 20 2HB LEU 20 24.309 3.816 6.196 150 HG LEU 20 HG LEU 20 21.420 3.137 6.944 151 1HD1 LEU 20 1HD1 LEU 20 21.426 5.581 5.578 152 2HD1 LEU 20 2HD1 LEU 20 22.895 5.637 6.521 153 3HD1 LEU 20 3HD1 LEU 20 21.329 5.312 7.337 154 1HD2 LEU 20 1HD2 LEU 20 20.780 3.697 4.501 155 2HD2 LEU 20 2HD2 LEU 20 21.613 2.151 4.771 156 3HD2 LEU 20 3HD2 LEU 20 22.503 3.480 4.080 157 H ARG 21 H ARG 21 24.574 0.452 8.241 158 HA ARG 21 HA ARG 21 27.298 1.227 8.635 159 1HB ARG 21 1HB ARG 21 25.677 0.293 10.352 160 2HB ARG 21 2HB ARG 21 25.856 -1.289 9.572 161 1HG ARG 21 1HG ARG 21 28.505 -0.162 10.073 162 2HG ARG 21 2HG ARG 21 27.581 -0.139 11.607 163 1HD ARG 21 1HD ARG 21 27.398 -2.424 11.727 164 2HD ARG 21 2HD ARG 21 27.275 -2.618 9.992 165 HE ARG 21 HE ARG 21 29.838 -2.372 11.475 166 1HH1 ARG 21 1HH1 ARG 21 28.162 -3.076 8.351 167 2HH1 ARG 21 2HH1 ARG 21 29.640 -3.731 7.730 168 1HH2 ARG 21 1HH2 ARG 21 31.653 -3.240 10.474 169 2HH2 ARG 21 2HH2 ARG 21 31.510 -3.806 8.840 170 H ALA 22 H ALA 22 25.708 -1.200 6.658 171 HA ALA 22 HA ALA 22 27.880 -3.074 6.303 172 1HB ALA 22 1HB ALA 22 25.538 -3.628 5.852 173 2HB ALA 22 2HB ALA 22 26.607 -3.914 4.453 174 3HB ALA 22 3HB ALA 22 25.535 -2.467 4.511 175 H LEU 23 H LEU 23 26.752 -0.226 4.388 176 HA LEU 23 HA LEU 23 28.856 -0.560 2.398 177 1HB LEU 23 1HB LEU 23 26.927 1.754 2.789 178 2HB LEU 23 2HB LEU 23 28.017 1.511 1.457 179 HG LEU 23 HG LEU 23 26.013 -0.639 2.048 180 1HD1 LEU 23 1HD1 LEU 23 24.757 1.441 2.255 181 2HD1 LEU 23 2HD1 LEU 23 24.316 0.769 0.671 182 3HD1 LEU 23 3HD1 LEU 23 25.469 2.109 0.805 183 1HD2 LEU 23 1HD2 LEU 23 26.099 -1.115 -0.316 184 2HD2 LEU 23 2HD2 LEU 23 27.802 -0.680 0.052 185 3HD2 LEU 23 3HD2 LEU 23 26.722 0.481 -0.733 186 H ASP 24 H ASP 24 28.462 1.066 5.390 187 HA ASP 24 HA ASP 24 29.862 2.415 6.667 188 1HB ASP 24 1HB ASP 24 31.578 0.920 5.636 189 2HB ASP 24 2HB ASP 24 31.992 2.317 4.592 190 H VAL 25 H VAL 25 28.160 4.055 5.907 191 HA VAL 25 HA VAL 25 29.353 6.213 4.142 192 HB VAL 25 HB VAL 25 27.258 6.821 3.593 193 1HG1 VAL 25 1HG1 VAL 25 26.630 3.976 4.468 194 2HG1 VAL 25 2HG1 VAL 25 27.597 4.390 3.016 195 3HG1 VAL 25 3HG1 VAL 25 25.902 4.869 3.101 196 1HG2 VAL 25 1HG2 VAL 25 26.299 7.424 5.726 197 2HG2 VAL 25 2HG2 VAL 25 26.421 5.751 6.327 198 3HG2 VAL 25 3HG2 VAL 25 25.207 6.185 5.098 199 H ASN 26 H ASN 26 28.883 8.414 4.873 200 HA ASN 26 HA ASN 26 30.183 9.138 7.199 201 1HB ASN 26 1HB ASN 26 28.720 10.504 5.163 202 2HB ASN 26 2HB ASN 26 28.419 11.195 6.754 203 1HD2 ASN 26 1HD2 ASN 26 30.298 12.297 7.806 204 2HD2 ASN 26 2HD2 ASN 26 31.831 12.466 7.009 205 H VAL 27 H VAL 27 29.338 10.263 9.222 206 HA VAL 27 HA VAL 27 27.236 8.724 10.453 207 HB VAL 27 HB VAL 27 28.923 11.015 11.251 208 1HG1 VAL 27 1HG1 VAL 27 26.552 9.745 12.742 209 2HG1 VAL 27 2HG1 VAL 27 26.978 11.480 12.601 210 3HG1 VAL 27 3HG1 VAL 27 27.885 10.420 13.655 211 1HG2 VAL 27 1HG2 VAL 27 29.943 9.220 12.688 212 2HG2 VAL 27 2HG2 VAL 27 29.906 8.682 10.990 213 3HG2 VAL 27 3HG2 VAL 27 28.742 8.022 12.114 214 H ALA 28 H ALA 28 27.434 11.866 8.864 215 HA ALA 28 HA ALA 28 25.063 13.077 10.021 216 1HB ALA 28 1HB ALA 28 25.369 14.645 8.005 217 2HB ALA 28 2HB ALA 28 26.916 13.792 7.773 218 3HB ALA 28 3HB ALA 28 26.554 14.591 9.342 219 H LEU 29 H LEU 29 25.798 11.132 7.199 220 HA LEU 29 HA LEU 29 23.378 11.603 5.706 221 1HB LEU 29 1HB LEU 29 25.511 10.727 4.810 222 2HB LEU 29 2HB LEU 29 25.182 9.255 5.633 223 HG LEU 29 HG LEU 29 22.899 9.244 4.383 224 1HD1 LEU 29 1HD1 LEU 29 22.922 11.477 3.356 225 2HD1 LEU 29 2HD1 LEU 29 23.014 10.264 2.059 226 3HD1 LEU 29 3HD1 LEU 29 24.478 11.103 2.540 227 1HD2 LEU 29 1HD2 LEU 29 23.883 7.891 2.590 228 2HD2 LEU 29 2HD2 LEU 29 25.055 7.814 3.952 229 3HD2 LEU 29 3HD2 LEU 29 25.348 8.900 2.582 230 H ARG 30 H ARG 30 24.284 9.524 8.376 231 HA ARG 30 HA ARG 30 22.115 7.633 8.063 232 1HB ARG 30 1HB ARG 30 24.515 7.839 9.479 233 2HB ARG 30 2HB ARG 30 23.294 7.789 10.736 234 1HG ARG 30 1HG ARG 30 22.527 5.735 8.873 235 2HG ARG 30 2HG ARG 30 24.279 5.705 8.917 236 1HD ARG 30 1HD ARG 30 22.346 5.425 11.234 237 2HD ARG 30 2HD ARG 30 23.381 4.158 10.567 238 HE ARG 30 HE ARG 30 24.087 6.408 12.384 239 1HH1 ARG 30 1HH1 ARG 30 25.259 3.634 10.487 240 2HH1 ARG 30 2HH1 ARG 30 26.750 3.498 11.330 241 1HH2 ARG 30 1HH2 ARG 30 26.137 6.214 13.518 242 2HH2 ARG 30 2HH2 ARG 30 27.197 4.967 13.008 243 H LYS 31 H LYS 31 22.511 10.729 9.608 244 HA LYS 31 HA LYS 31 20.486 10.540 11.649 245 1HB LYS 31 1HB LYS 31 22.284 12.095 11.812 246 2HB LYS 31 2HB LYS 31 21.852 12.847 10.274 247 1HG LYS 31 1HG LYS 31 20.743 14.408 11.537 248 2HG LYS 31 2HG LYS 31 19.479 13.119 11.606 249 1HD LYS 31 1HD LYS 31 21.065 12.274 13.628 250 2HD LYS 31 2HD LYS 31 21.471 14.003 13.668 251 1HE LYS 31 1HE LYS 31 18.696 12.734 13.836 252 2HE LYS 31 2HE LYS 31 19.587 13.435 15.199 253 1HZ LYS 31 1HZ LYS 31 17.801 14.881 14.113 254 2HZ LYS 31 2HZ LYS 31 18.814 15.070 12.813 255 3HZ LYS 31 3HZ LYS 31 19.307 15.610 14.363 256 H ILE 32 H ILE 32 20.701 11.916 8.404 257 HA ILE 32 HA ILE 32 18.067 13.034 8.155 258 HB ILE 32 HB ILE 32 20.049 11.963 6.129 259 1HG1 ILE 32 1HG1 ILE 32 21.116 13.731 6.925 260 2HG1 ILE 32 2HG1 ILE 32 20.274 14.540 5.626 261 1HG2 ILE 32 1HG2 ILE 32 17.956 13.954 5.237 262 2HG2 ILE 32 2HG2 ILE 32 17.327 12.340 5.441 263 3HG2 ILE 32 3HG2 ILE 32 18.657 12.585 4.302 264 1HD1 ILE 32 1HD1 ILE 32 19.444 14.561 8.566 265 2HD1 ILE 32 2HD1 ILE 32 18.541 15.364 7.308 266 3HD1 ILE 32 3HD1 ILE 32 20.224 15.902 7.658 267 H ALA 33 H ALA 33 19.397 10.071 6.805 268 HA ALA 33 HA ALA 33 17.233 8.904 5.580 269 1HB ALA 33 1HB ALA 33 18.499 6.707 6.328 270 2HB ALA 33 2HB ALA 33 19.750 7.935 6.772 271 3HB ALA 33 3HB ALA 33 19.147 7.834 5.095 272 H ASN 34 H ASN 34 18.275 7.856 8.878 273 HA ASN 34 HA ASN 34 16.012 6.279 9.396 274 1HB ASN 34 1HB ASN 34 18.264 6.394 10.616 275 2HB ASN 34 2HB ASN 34 17.387 7.531 11.673 276 1HD2 ASN 34 1HD2 ASN 34 17.967 5.562 13.225 277 2HD2 ASN 34 2HD2 ASN 34 16.761 4.272 13.272 278 H LEU 35 H LEU 35 14.194 7.577 8.752 279 HA LEU 35 HA LEU 35 12.449 8.581 10.653 280 1HB LEU 35 1HB LEU 35 12.506 10.979 10.290 281 2HB LEU 35 2HB LEU 35 13.721 10.315 11.414 282 HG LEU 35 HG LEU 35 15.068 10.245 9.043 283 1HD1 LEU 35 1HD1 LEU 35 14.332 11.801 7.543 284 2HD1 LEU 35 2HD1 LEU 35 14.314 13.036 8.773 285 3HD1 LEU 35 3HD1 LEU 35 12.871 12.010 8.516 286 1HD2 LEU 35 1HD2 LEU 35 15.063 12.419 11.228 287 2HD2 LEU 35 2HD2 LEU 35 16.284 12.342 9.914 288 3HD2 LEU 35 3HD2 LEU 35 16.136 11.048 11.107 289 H LEU 36 H LEU 36 13.848 8.994 7.386 290 HA LEU 36 HA LEU 36 11.309 10.052 6.304 291 1HB LEU 36 1HB LEU 36 13.541 8.871 4.628 292 2HB LEU 36 2HB LEU 36 12.192 9.692 4.109 293 HG LEU 36 HG LEU 36 14.457 10.930 5.691 294 1HD1 LEU 36 1HD1 LEU 36 15.095 10.807 3.411 295 2HD1 LEU 36 2HD1 LEU 36 14.392 12.427 3.465 296 3HD1 LEU 36 3HD1 LEU 36 13.458 11.078 2.771 297 1HD2 LEU 36 1HD2 LEU 36 11.619 11.741 5.366 298 2HD2 LEU 36 2HD2 LEU 36 12.723 12.981 4.772 299 3HD2 LEU 36 3HD2 LEU 36 12.843 12.447 6.452 300 H LYS 37 H LYS 37 9.797 9.024 5.044 301 HA LYS 37 HA LYS 37 10.004 6.040 4.758 302 1HB LYS 37 1HB LYS 37 7.268 7.186 5.055 303 2HB LYS 37 2HB LYS 37 7.980 5.693 5.716 304 1HG LYS 37 1HG LYS 37 9.316 7.360 7.310 305 2HG LYS 37 2HG LYS 37 7.959 8.473 6.971 306 1HD LYS 37 1HD LYS 37 6.581 6.170 7.485 307 2HD LYS 37 2HD LYS 37 7.984 5.825 8.459 308 1HE LYS 37 1HE LYS 37 7.705 8.162 9.507 309 2HE LYS 37 2HE LYS 37 6.084 8.239 8.752 310 1HZ LYS 37 1HZ LYS 37 6.998 5.927 10.402 311 2HZ LYS 37 2HZ LYS 37 5.424 6.275 9.908 312 3HZ LYS 37 3HZ LYS 37 6.165 7.237 11.080 313 HA PRO 38 HA PRO 38 9.086 7.855 0.580 314 1HB PRO 38 1HB PRO 38 10.511 6.195 -0.872 315 2HB PRO 38 2HB PRO 38 11.419 7.155 0.358 316 1HG PRO 38 1HG PRO 38 10.251 4.376 0.728 317 2HG PRO 38 2HG PRO 38 11.970 4.854 0.852 318 1HD PRO 38 1HD PRO 38 10.440 4.868 3.094 319 2HD PRO 38 2HD PRO 38 11.603 6.184 2.759 320 H ASP 39 H ASP 39 8.006 7.393 -1.143 321 HA ASP 39 HA ASP 39 5.937 5.214 -1.063 322 1HB ASP 39 1HB ASP 39 5.188 6.872 -2.996 323 2HB ASP 39 2HB ASP 39 4.726 7.080 -1.274 324 H LYS 40 H LYS 40 5.564 4.280 -3.300 325 HA LYS 40 HA LYS 40 7.781 4.907 -5.226 326 1HB LYS 40 1HB LYS 40 7.226 2.093 -4.198 327 2HB LYS 40 2HB LYS 40 8.159 2.456 -5.660 328 1HG LYS 40 1HG LYS 40 9.520 3.992 -3.888 329 2HG LYS 40 2HG LYS 40 8.833 2.769 -2.789 330 1HD LYS 40 1HD LYS 40 10.783 1.653 -3.470 331 2HD LYS 40 2HD LYS 40 9.612 1.103 -4.717 332 1HE LYS 40 1HE LYS 40 11.945 3.019 -4.944 333 2HE LYS 40 2HE LYS 40 11.434 1.812 -6.087 334 1HZ LYS 40 1HZ LYS 40 9.596 3.221 -6.805 335 2HZ LYS 40 2HZ LYS 40 11.090 3.951 -6.949 336 3HZ LYS 40 3HZ LYS 40 10.031 4.378 -5.674 337 H GLU 41 H GLU 41 6.772 5.497 -6.987 338 HA GLU 41 HA GLU 41 4.395 3.839 -7.750 339 1HB GLU 41 1HB GLU 41 4.494 6.515 -8.009 340 2HB GLU 41 2HB GLU 41 5.612 6.125 -9.360 341 1HG GLU 41 1HG GLU 41 2.937 4.692 -9.319 342 2HG GLU 41 2HG GLU 41 2.891 6.418 -9.577 343 H ILE 42 H ILE 42 4.492 2.651 -9.732 344 HA ILE 42 HA ILE 42 7.224 2.397 -10.974 345 HB ILE 42 HB ILE 42 5.423 0.066 -10.411 346 1HG1 ILE 42 1HG1 ILE 42 7.931 1.196 -9.059 347 2HG1 ILE 42 2HG1 ILE 42 6.354 0.958 -8.306 348 1HG2 ILE 42 1HG2 ILE 42 8.388 0.134 -11.279 349 2HG2 ILE 42 2HG2 ILE 42 7.124 0.048 -12.475 350 3HG2 ILE 42 3HG2 ILE 42 7.267 -1.272 -11.336 351 1HD1 ILE 42 1HD1 ILE 42 7.025 -1.169 -7.627 352 2HD1 ILE 42 2HD1 ILE 42 8.617 -0.768 -8.336 353 3HD1 ILE 42 3HD1 ILE 42 7.430 -1.612 -9.299 354 H VAL 43 H VAL 43 7.268 2.203 -13.097 355 HA VAL 43 HA VAL 43 4.653 1.755 -14.495 356 HB VAL 43 HB VAL 43 6.773 3.883 -15.170 357 1HG1 VAL 43 1HG1 VAL 43 5.545 2.390 -17.130 358 2HG1 VAL 43 2HG1 VAL 43 6.057 4.102 -17.273 359 3HG1 VAL 43 3HG1 VAL 43 4.362 3.667 -16.926 360 1HG2 VAL 43 1HG2 VAL 43 5.180 4.995 -13.761 361 2HG2 VAL 43 2HG2 VAL 43 3.802 3.974 -14.285 362 3HG2 VAL 43 3HG2 VAL 43 4.464 5.241 -15.340 363 H GLN 44 H GLN 44 4.935 -0.081 -15.549 364 HA GLN 44 HA GLN 44 7.619 -0.698 -16.683 365 1HB GLN 44 1HB GLN 44 6.047 -2.285 -14.898 366 2HB GLN 44 2HB GLN 44 5.707 -2.970 -16.463 367 1HG GLN 44 1HG GLN 44 8.607 -2.460 -15.941 368 2HG GLN 44 2HG GLN 44 7.837 -3.800 -15.073 369 1HE2 GLN 44 1HE2 GLN 44 8.976 -2.527 -18.163 370 2HE2 GLN 44 2HE2 GLN 44 8.652 -3.934 -19.127 371 H ASP 45 H ASP 45 7.676 -1.147 -18.947 372 HA ASP 45 HA ASP 45 5.018 -1.531 -20.300 373 1HB ASP 45 1HB ASP 45 6.379 0.944 -20.084 374 2HB ASP 45 2HB ASP 45 6.775 0.346 -21.714 375 H GLY 46 H GLY 46 5.479 -3.531 -20.894 376 1HA GLY 46 1HA GLY 46 6.398 -5.295 -22.138 377 2HA GLY 46 2HA GLY 46 7.162 -4.016 -23.144 378 H ASP 47 H ASP 47 9.231 -4.251 -23.272 379 HA ASP 47 HA ASP 47 10.720 -5.506 -21.008 380 1HB ASP 47 1HB ASP 47 10.678 -6.298 -23.483 381 2HB ASP 47 2HB ASP 47 11.958 -5.124 -23.659 382 H HIS 48 H HIS 48 9.788 -2.782 -20.841 383 HA HIS 48 HA HIS 48 12.392 -1.388 -20.536 384 1HB HIS 48 1HB HIS 48 10.133 -0.412 -22.278 385 2HB HIS 48 2HB HIS 48 11.131 0.763 -21.416 386 HD1 HIS 48 HD1 HIS 48 11.100 -1.440 -24.357 387 HD2 HIS 48 HD2 HIS 48 14.034 0.571 -22.080 388 HE1 HIS 48 HE1 HIS 48 13.233 -1.416 -25.769 389 HE2 HIS 48 HE2 HIS 48 14.944 -0.212 -24.389 390 H MET 49 H MET 49 12.312 -0.374 -18.542 391 HA MET 49 HA MET 49 9.613 0.272 -17.404 392 1HB MET 49 1HB MET 49 10.392 -1.950 -16.687 393 2HB MET 49 2HB MET 49 11.840 -1.196 -16.006 394 1HG MET 49 1HG MET 49 10.382 0.193 -14.497 395 2HG MET 49 2HG MET 49 8.961 -0.709 -15.088 396 1HE MET 49 1HE MET 49 10.305 -3.587 -15.594 397 2HE MET 49 2HE MET 49 11.311 -4.258 -14.259 398 3HE MET 49 3HE MET 49 11.959 -2.975 -15.290 399 H ILE 50 H ILE 50 9.535 1.652 -15.678 400 HA ILE 50 HA ILE 50 11.908 3.476 -15.363 401 HB ILE 50 HB ILE 50 8.939 4.218 -15.742 402 1HG1 ILE 50 1HG1 ILE 50 11.128 4.961 -17.711 403 2HG1 ILE 50 2HG1 ILE 50 10.239 3.453 -17.772 404 1HG2 ILE 50 1HG2 ILE 50 10.074 6.009 -14.336 405 2HG2 ILE 50 2HG2 ILE 50 9.937 6.618 -15.988 406 3HG2 ILE 50 3HG2 ILE 50 11.485 5.956 -15.377 407 1HD1 ILE 50 1HD1 ILE 50 8.058 5.022 -17.540 408 2HD1 ILE 50 2HD1 ILE 50 8.818 4.833 -19.102 409 3HD1 ILE 50 3HD1 ILE 50 9.172 6.286 -18.140 410 H ILE 51 H ILE 51 12.177 4.037 -13.238 411 HA ILE 51 HA ILE 51 9.997 3.247 -11.317 412 HB ILE 51 HB ILE 51 13.038 2.855 -11.074 413 1HG1 ILE 51 1HG1 ILE 51 11.781 0.744 -9.800 414 2HG1 ILE 51 2HG1 ILE 51 10.524 1.193 -10.907 415 1HG2 ILE 51 1HG2 ILE 51 10.989 3.412 -8.922 416 2HG2 ILE 51 2HG2 ILE 51 12.636 3.983 -8.968 417 3HG2 ILE 51 3HG2 ILE 51 12.321 2.256 -8.588 418 1HD1 ILE 51 1HD1 ILE 51 11.972 -0.598 -11.881 419 2HD1 ILE 51 2HD1 ILE 51 13.370 0.496 -11.773 420 3HD1 ILE 51 3HD1 ILE 51 12.038 0.850 -12.893 421 H ARG 52 H ARG 52 9.635 4.683 -9.713 422 HA ARG 52 HA ARG 52 11.146 7.253 -9.912 423 1HB ARG 52 1HB ARG 52 8.281 6.613 -10.319 424 2HB ARG 52 2HB ARG 52 8.618 8.027 -9.294 425 1HG ARG 52 1HG ARG 52 10.400 8.541 -11.261 426 2HG ARG 52 2HG ARG 52 9.238 7.610 -12.232 427 1HD ARG 52 1HD ARG 52 7.451 9.107 -11.809 428 2HD ARG 52 2HD ARG 52 8.315 9.860 -10.442 429 HE ARG 52 HE ARG 52 10.005 10.480 -12.436 430 1HH1 ARG 52 1HH1 ARG 52 6.578 10.684 -12.403 431 2HH1 ARG 52 2HH1 ARG 52 6.408 12.004 -13.524 432 1HH2 ARG 52 1HH2 ARG 52 9.948 12.272 -13.974 433 2HH2 ARG 52 2HH2 ARG 52 8.406 12.881 -14.400 434 H THR 53 H THR 53 12.135 7.485 -8.019 435 HA THR 53 HA THR 53 10.701 6.641 -5.555 436 HB THR 53 HB THR 53 13.562 7.584 -6.176 437 HG1 THR 53 HG1 THR 53 13.835 5.499 -4.993 438 1HG2 THR 53 1HG2 THR 53 13.954 7.204 -3.638 439 2HG2 THR 53 2HG2 THR 53 12.193 7.067 -3.388 440 3HG2 THR 53 3HG2 THR 53 12.934 8.601 -3.933 441 H LEU 54 H LEU 54 9.528 8.145 -4.527 442 HA LEU 54 HA LEU 54 9.737 11.023 -5.372 443 1HB LEU 54 1HB LEU 54 7.573 9.145 -5.336 444 2HB LEU 54 2HB LEU 54 7.162 10.665 -4.614 445 HG LEU 54 HG LEU 54 8.794 10.638 -7.165 446 1HD1 LEU 54 1HD1 LEU 54 5.748 10.480 -7.242 447 2HD1 LEU 54 2HD1 LEU 54 6.746 9.036 -7.196 448 3HD1 LEU 54 3HD1 LEU 54 6.968 10.204 -8.536 449 1HD2 LEU 54 1HD2 LEU 54 7.722 12.769 -7.581 450 2HD2 LEU 54 2HD2 LEU 54 8.293 12.843 -5.902 451 3HD2 LEU 54 3HD2 LEU 54 6.568 12.517 -6.247 452 H SER 55 H SER 55 10.996 9.999 -2.840 453 HA SER 55 HA SER 55 9.450 10.912 -0.541 454 1HB SER 55 1HB SER 55 11.431 9.358 -0.397 455 2HB SER 55 2HB SER 55 12.496 10.653 -0.952 456 HG SER 55 HG SER 55 10.892 10.776 1.387 457 H THR 56 H THR 56 10.599 12.705 0.810 458 HA THR 56 HA THR 56 10.820 15.026 -1.085 459 HB THR 56 HB THR 56 10.308 15.372 1.889 460 HG1 THR 56 HG1 THR 56 8.467 14.569 -0.113 461 1HG2 THR 56 1HG2 THR 56 8.950 17.337 1.064 462 2HG2 THR 56 2HG2 THR 56 9.429 16.992 -0.620 463 3HG2 THR 56 3HG2 THR 56 10.672 17.417 0.545 464 H PHE 57 H PHE 57 13.083 14.036 -1.214 465 HA PHE 57 HA PHE 57 14.872 15.894 0.112 466 1HB PHE 57 1HB PHE 57 14.228 13.691 1.740 467 2HB PHE 57 2HB PHE 57 15.731 13.215 0.891 468 HD1 PHE 57 HD1 PHE 57 17.752 13.739 1.863 469 HD2 PHE 57 HD2 PHE 57 14.421 16.256 2.716 470 HE1 PHE 57 HE1 PHE 57 19.188 15.083 3.394 471 HE2 PHE 57 HE2 PHE 57 15.827 17.618 4.252 472 HZ PHE 57 HZ PHE 57 18.178 17.023 4.567 473 H ARG 58 H ARG 58 14.958 12.421 -0.928 474 HA ARG 58 HA ARG 58 16.972 13.286 -3.007 475 1HB ARG 58 1HB ARG 58 16.773 10.699 -1.472 476 2HB ARG 58 2HB ARG 58 17.837 10.969 -2.849 477 1HG ARG 58 1HG ARG 58 18.653 13.104 -1.454 478 2HG ARG 58 2HG ARG 58 18.045 12.075 -0.104 479 1HD ARG 58 1HD ARG 58 20.231 11.330 -0.294 480 2HD ARG 58 2HD ARG 58 19.370 10.126 -1.304 481 HE ARG 58 HE ARG 58 19.913 11.554 -3.253 482 1HH1 ARG 58 1HH1 ARG 58 22.122 11.708 -0.438 483 2HH1 ARG 58 2HH1 ARG 58 23.445 12.161 -1.424 484 1HH2 ARG 58 1HH2 ARG 58 21.779 12.173 -4.457 485 2HH2 ARG 58 2HH2 ARG 58 23.272 12.426 -3.636 486 H ASN 59 H ASN 59 16.007 13.378 -4.869 487 HA ASN 59 HA ASN 59 14.078 11.151 -5.641 488 1HB ASN 59 1HB ASN 59 14.334 14.073 -6.541 489 2HB ASN 59 2HB ASN 59 13.507 12.853 -7.504 490 1HD2 ASN 59 1HD2 ASN 59 11.390 13.281 -7.358 491 2HD2 ASN 59 2HD2 ASN 59 10.498 13.564 -5.916 492 H TYR 60 H TYR 60 15.651 9.724 -6.365 493 HA TYR 60 HA TYR 60 17.116 10.662 -8.805 494 1HB TYR 60 1HB TYR 60 18.623 8.880 -8.628 495 2HB TYR 60 2HB TYR 60 18.635 9.835 -7.065 496 HD1 TYR 60 HD1 TYR 60 17.840 8.938 -5.008 497 HD2 TYR 60 HD2 TYR 60 17.662 6.554 -8.615 498 HE1 TYR 60 HE1 TYR 60 17.357 6.899 -3.683 499 HE2 TYR 60 HE2 TYR 60 17.193 4.590 -7.241 500 HH TYR 60 HH TYR 60 17.344 3.748 -5.099 501 H ILE 61 H ILE 61 16.523 9.701 -10.655 502 HA ILE 61 HA ILE 61 14.334 7.652 -10.444 503 HB ILE 61 HB ILE 61 14.901 9.906 -12.359 504 1HG1 ILE 61 1HG1 ILE 61 12.530 10.456 -12.017 505 2HG1 ILE 61 2HG1 ILE 61 12.239 9.063 -11.095 506 1HG2 ILE 61 1HG2 ILE 61 13.206 9.058 -13.985 507 2HG2 ILE 61 2HG2 ILE 61 12.931 7.590 -12.995 508 3HG2 ILE 61 3HG2 ILE 61 14.466 7.812 -13.796 509 1HD1 ILE 61 1HD1 ILE 61 14.400 11.091 -10.133 510 2HD1 ILE 61 2HD1 ILE 61 13.582 9.841 -9.199 511 3HD1 ILE 61 3HD1 ILE 61 12.702 11.299 -9.758 512 H MET 62 H MET 62 14.207 6.047 -12.077 513 HA MET 62 HA MET 62 16.761 5.509 -13.501 514 1HB MET 62 1HB MET 62 15.114 3.351 -12.012 515 2HB MET 62 2HB MET 62 16.627 3.114 -12.835 516 1HG MET 62 1HG MET 62 16.998 5.257 -10.899 517 2HG MET 62 2HG MET 62 16.233 3.862 -10.103 518 1HE MET 62 1HE MET 62 18.082 0.951 -11.277 519 2HE MET 62 2HE MET 62 16.679 1.683 -10.438 520 3HE MET 62 3HE MET 62 18.208 1.334 -9.550 521 H ASP 63 H ASP 63 16.508 4.224 -15.310 522 HA ASP 63 HA ASP 63 13.717 3.725 -16.314 523 1HB ASP 63 1HB ASP 63 15.265 5.912 -17.130 524 2HB ASP 63 2HB ASP 63 15.836 4.647 -18.253 525 H PHE 64 H PHE 64 14.068 1.606 -15.773 526 HA PHE 64 HA PHE 64 16.475 0.146 -16.557 527 1HB PHE 64 1HB PHE 64 13.987 -0.323 -15.121 528 2HB PHE 64 2HB PHE 64 14.611 -1.753 -15.947 529 HD1 PHE 64 HD1 PHE 64 14.326 -0.903 -12.883 530 HD2 PHE 64 HD2 PHE 64 17.724 -1.062 -15.556 531 HE1 PHE 64 HE1 PHE 64 15.837 -1.177 -10.959 532 HE2 PHE 64 HE2 PHE 64 19.199 -1.342 -13.678 533 HZ PHE 64 HZ PHE 64 18.303 -1.407 -11.348 534 H GLN 65 H GLN 65 16.280 -1.960 -17.553 535 HA GLN 65 HA GLN 65 14.337 -2.379 -19.700 536 1HB GLN 65 1HB GLN 65 16.824 -3.120 -20.782 537 2HB GLN 65 2HB GLN 65 15.718 -1.940 -21.438 538 1HG GLN 65 1HG GLN 65 17.499 -0.908 -19.227 539 2HG GLN 65 2HG GLN 65 18.288 -1.362 -20.713 540 1HE2 GLN 65 1HE2 GLN 65 18.482 0.234 -22.138 541 2HE2 GLN 65 2HE2 GLN 65 17.440 1.604 -22.391 542 H VAL 66 H VAL 66 13.629 -4.100 -18.497 543 HA VAL 66 HA VAL 66 14.946 -5.899 -16.883 544 HB VAL 66 HB VAL 66 12.568 -6.144 -18.721 545 1HG1 VAL 66 1HG1 VAL 66 13.259 -8.470 -18.589 546 2HG1 VAL 66 2HG1 VAL 66 11.998 -8.300 -17.383 547 3HG1 VAL 66 3HG1 VAL 66 13.696 -8.299 -16.855 548 1HG2 VAL 66 1HG2 VAL 66 12.532 -6.484 -15.717 549 2HG2 VAL 66 2HG2 VAL 66 11.364 -5.649 -16.736 550 3HG2 VAL 66 3HG2 VAL 66 12.915 -4.863 -16.269 551 H GLY 67 H GLY 67 16.008 -7.839 -17.254 552 1HA GLY 67 1HA GLY 67 17.163 -9.547 -18.318 553 2HA GLY 67 2HA GLY 67 16.245 -9.251 -19.756 554 H LYS 68 H LYS 68 17.691 -6.328 -19.100 555 HA LYS 68 HA LYS 68 19.983 -6.940 -20.970 556 1HB LYS 68 1HB LYS 68 18.225 -5.298 -21.631 557 2HB LYS 68 2HB LYS 68 18.629 -4.337 -20.229 558 1HG LYS 68 1HG LYS 68 20.248 -3.317 -21.455 559 2HG LYS 68 2HG LYS 68 21.093 -4.868 -21.700 560 1HD LYS 68 1HD LYS 68 19.027 -5.140 -23.479 561 2HD LYS 68 2HD LYS 68 19.086 -3.381 -23.411 562 1HE LYS 68 1HE LYS 68 20.964 -3.426 -24.839 563 2HE LYS 68 2HE LYS 68 21.850 -4.410 -23.617 564 1HZ LYS 68 1HZ LYS 68 19.888 -5.704 -25.388 565 2HZ LYS 68 2HZ LYS 68 21.231 -6.343 -24.634 566 3HZ LYS 68 3HZ LYS 68 21.418 -5.321 -25.947 567 H GLU 69 H GLU 69 22.126 -6.206 -20.386 568 HA GLU 69 HA GLU 69 22.676 -6.011 -17.591 569 1HB GLU 69 1HB GLU 69 24.244 -6.511 -19.591 570 2HB GLU 69 2HB GLU 69 24.489 -4.778 -19.693 571 1HG GLU 69 1HG GLU 69 24.697 -5.686 -16.896 572 2HG GLU 69 2HG GLU 69 25.793 -6.604 -17.936 573 H PHE 70 H PHE 70 23.669 -4.031 -16.564 574 HA PHE 70 HA PHE 70 23.008 -1.427 -17.634 575 1HB PHE 70 1HB PHE 70 20.768 -2.337 -17.020 576 2HB PHE 70 2HB PHE 70 21.263 -2.448 -15.349 577 HD1 PHE 70 HD1 PHE 70 20.746 -0.100 -18.190 578 HD2 PHE 70 HD2 PHE 70 21.089 -0.433 -13.972 579 HE1 PHE 70 HE1 PHE 70 19.998 2.281 -17.958 580 HE2 PHE 70 HE2 PHE 70 20.366 1.950 -13.706 581 HZ PHE 70 HZ PHE 70 19.822 3.293 -15.690 582 H GLU 71 H GLU 71 24.652 -0.129 -16.915 583 HA GLU 71 HA GLU 71 26.003 -0.906 -14.422 584 1HB GLU 71 1HB GLU 71 27.465 0.987 -14.893 585 2HB GLU 71 2HB GLU 71 27.223 -0.005 -16.373 586 1HG GLU 71 1HG GLU 71 25.689 1.645 -17.298 587 2HG GLU 71 2HG GLU 71 25.529 2.452 -15.745 588 H GLU 72 H GLU 72 26.130 0.413 -12.548 589 HA GLU 72 HA GLU 72 24.023 2.443 -12.300 590 1HB GLU 72 1HB GLU 72 22.979 0.298 -11.661 591 2HB GLU 72 2HB GLU 72 24.223 0.078 -10.401 592 1HG GLU 72 1HG GLU 72 23.403 2.169 -9.268 593 2HG GLU 72 2HG GLU 72 22.344 2.468 -10.612 594 H ASP 73 H ASP 73 26.024 3.787 -12.289 595 HA ASP 73 HA ASP 73 27.726 3.620 -9.882 596 1HB ASP 73 1HB ASP 73 27.475 6.093 -11.567 597 2HB ASP 73 2HB ASP 73 28.907 5.399 -10.740 598 H LEU 74 H LEU 74 27.047 4.278 -7.999 599 HA LEU 74 HA LEU 74 24.746 6.156 -7.633 600 1HB LEU 74 1HB LEU 74 25.850 4.115 -5.759 601 2HB LEU 74 2HB LEU 74 24.478 5.172 -5.525 602 HG LEU 74 HG LEU 74 24.419 3.512 -8.035 603 1HD1 LEU 74 1HD1 LEU 74 24.468 1.542 -7.028 604 2HD1 LEU 74 2HD1 LEU 74 23.220 2.039 -5.851 605 3HD1 LEU 74 3HD1 LEU 74 24.949 2.307 -5.534 606 1HD2 LEU 74 1HD2 LEU 74 22.557 5.074 -7.751 607 2HD2 LEU 74 2HD2 LEU 74 22.365 4.584 -6.046 608 3HD2 LEU 74 3HD2 LEU 74 21.941 3.485 -7.372 609 H THR 75 H THR 75 26.671 7.801 -8.096 610 HA THR 75 HA THR 75 28.324 8.280 -5.666 611 HB THR 75 HB THR 75 28.936 10.428 -7.155 612 HG1 THR 75 HG1 THR 75 28.258 10.361 -9.096 613 1HG2 THR 75 1HG2 THR 75 30.777 8.723 -6.865 614 2HG2 THR 75 2HG2 THR 75 30.504 8.748 -8.632 615 3HG2 THR 75 3HG2 THR 75 29.795 7.481 -7.660 616 H GLY 76 H GLY 76 26.079 8.389 -4.530 617 1HA GLY 76 1HA GLY 76 25.482 11.304 -4.425 618 2HA GLY 76 2HA GLY 76 24.165 10.231 -4.938 619 H ILE 77 H ILE 77 24.485 7.974 -3.305 620 HA ILE 77 HA ILE 77 23.882 9.257 -0.649 621 HB ILE 77 HB ILE 77 22.893 6.681 -1.922 622 1HG1 ILE 77 1HG1 ILE 77 21.210 9.076 -1.104 623 2HG1 ILE 77 2HG1 ILE 77 21.958 9.009 -2.646 624 1HG2 ILE 77 1HG2 ILE 77 22.231 7.926 0.851 625 2HG2 ILE 77 2HG2 ILE 77 23.084 6.382 0.608 626 3HG2 ILE 77 3HG2 ILE 77 21.380 6.554 0.134 627 1HD1 ILE 77 1HD1 ILE 77 19.544 8.057 -2.466 628 2HD1 ILE 77 2HD1 ILE 77 20.238 6.654 -1.648 629 3HD1 ILE 77 3HD1 ILE 77 20.683 7.005 -3.315 630 H ASP 78 H ASP 78 25.721 6.608 -2.356 631 HA ASP 78 HA ASP 78 27.234 6.328 0.184 632 1HB ASP 78 1HB ASP 78 27.099 3.973 0.385 633 2HB ASP 78 2HB ASP 78 25.541 4.765 0.513 634 H ASP 79 H ASP 79 27.566 7.107 -2.795 635 HA ASP 79 HA ASP 79 29.095 6.870 -4.514 636 1HB ASP 79 1HB ASP 79 30.845 6.942 -2.073 637 2HB ASP 79 2HB ASP 79 31.445 6.899 -3.735 638 H ARG 80 H ARG 80 28.408 4.787 -5.341 639 HA ARG 80 HA ARG 80 30.587 2.740 -5.047 640 1HB ARG 80 1HB ARG 80 28.253 2.356 -3.710 641 2HB ARG 80 2HB ARG 80 27.880 1.638 -5.301 642 1HG ARG 80 1HG ARG 80 29.010 -0.188 -4.595 643 2HG ARG 80 2HG ARG 80 30.495 0.729 -4.689 644 1HD ARG 80 1HD ARG 80 28.733 0.644 -2.182 645 2HD ARG 80 2HD ARG 80 30.214 -0.328 -2.513 646 HE ARG 80 HE ARG 80 31.257 2.054 -2.932 647 1HH1 ARG 80 1HH1 ARG 80 29.050 1.201 -0.202 648 2HH1 ARG 80 2HH1 ARG 80 29.807 2.429 0.761 649 1HH2 ARG 80 1HH2 ARG 80 32.104 3.645 -1.475 650 2HH2 ARG 80 2HH2 ARG 80 31.381 3.688 0.113 651 H LYS 81 H LYS 81 29.857 0.915 -6.612 652 HA LYS 81 HA LYS 81 28.623 1.697 -9.141 653 1HB LYS 81 1HB LYS 81 30.956 0.809 -10.232 654 2HB LYS 81 2HB LYS 81 30.604 2.488 -10.025 655 1HG LYS 81 1HG LYS 81 31.819 2.283 -7.704 656 2HG LYS 81 2HG LYS 81 32.501 0.751 -8.340 657 1HD LYS 81 1HD LYS 81 34.127 2.045 -9.238 658 2HD LYS 81 2HD LYS 81 32.964 2.441 -10.471 659 1HE LYS 81 1HE LYS 81 33.609 4.643 -9.677 660 2HE LYS 81 2HE LYS 81 32.119 4.339 -8.724 661 1HZ LYS 81 1HZ LYS 81 33.288 4.346 -6.874 662 2HZ LYS 81 2HZ LYS 81 34.511 5.061 -7.783 663 3HZ LYS 81 3HZ LYS 81 34.536 3.400 -7.442 664 H CYS 82 H CYS 82 28.480 -0.228 -10.470 665 HA CYS 82 HA CYS 82 29.465 -2.783 -9.559 666 1HB CYS 82 1HB CYS 82 26.987 -3.650 -9.216 667 2HB CYS 82 2HB CYS 82 27.754 -2.885 -7.869 668 HG CYS 82 HG CYS 82 26.287 -1.060 -7.540 669 H MET 83 H MET 83 27.902 -4.441 -10.789 670 HA MET 83 HA MET 83 27.319 -3.395 -13.544 671 1HB MET 83 1HB MET 83 28.470 -6.144 -12.844 672 2HB MET 83 2HB MET 83 28.233 -5.412 -14.451 673 1HG MET 83 1HG MET 83 30.119 -3.881 -14.094 674 2HG MET 83 2HG MET 83 30.149 -4.208 -12.364 675 1HE MET 83 1HE MET 83 30.373 -7.758 -14.873 676 2HE MET 83 2HE MET 83 31.458 -6.737 -15.848 677 3HE MET 83 3HE MET 83 29.797 -6.166 -15.509 678 H THR 84 H THR 84 25.184 -3.288 -13.048 679 HA THR 84 HA THR 84 23.816 -5.557 -11.681 680 HB THR 84 HB THR 84 22.899 -2.815 -12.409 681 HG1 THR 84 HG1 THR 84 24.207 -4.036 -10.290 682 1HG2 THR 84 1HG2 THR 84 21.014 -3.366 -10.750 683 2HG2 THR 84 2HG2 THR 84 21.720 -4.944 -10.488 684 3HG2 THR 84 3HG2 THR 84 21.024 -4.604 -12.051 685 H THR 85 H THR 85 22.340 -6.886 -12.478 686 HA THR 85 HA THR 85 21.410 -6.394 -15.239 687 HB THR 85 HB THR 85 22.116 -9.131 -14.031 688 HG1 THR 85 HG1 THR 85 24.045 -8.065 -14.367 689 1HG2 THR 85 1HG2 THR 85 21.923 -9.834 -16.515 690 2HG2 THR 85 2HG2 THR 85 21.564 -8.136 -16.951 691 3HG2 THR 85 3HG2 THR 85 20.439 -9.068 -15.945 692 H VAL 86 H VAL 86 19.437 -5.782 -14.632 693 HA VAL 86 HA VAL 86 17.934 -7.164 -12.511 694 HB VAL 86 HB VAL 86 17.375 -4.822 -14.369 695 1HG1 VAL 86 1HG1 VAL 86 15.251 -6.698 -13.936 696 2HG1 VAL 86 2HG1 VAL 86 15.087 -4.998 -14.362 697 3HG1 VAL 86 3HG1 VAL 86 15.062 -5.533 -12.657 698 1HG2 VAL 86 1HG2 VAL 86 16.731 -5.171 -11.405 699 2HG2 VAL 86 2HG2 VAL 86 17.089 -3.652 -12.262 700 3HG2 VAL 86 3HG2 VAL 86 18.374 -4.782 -11.908 701 H SER 87 H SER 87 17.721 -9.222 -13.006 702 HA SER 87 HA SER 87 16.830 -9.951 -15.745 703 1HB SER 87 1HB SER 87 18.536 -11.291 -14.247 704 2HB SER 87 2HB SER 87 17.108 -11.923 -13.404 705 HG SER 87 HG SER 87 17.232 -13.266 -15.029 706 H TRP 88 H TRP 88 14.980 -11.688 -15.842 707 HA TRP 88 HA TRP 88 12.846 -10.848 -13.937 708 1HB TRP 88 1HB TRP 88 12.755 -10.030 -16.403 709 2HB TRP 88 2HB TRP 88 12.490 -11.696 -16.865 710 HD1 TRP 88 HD1 TRP 88 10.651 -11.354 -13.714 711 HE1 TRP 88 HE1 TRP 88 8.171 -10.846 -14.033 712 HE3 TRP 88 HE3 TRP 88 10.797 -9.968 -18.693 713 HZ2 TRP 88 HZ2 TRP 88 6.466 -9.973 -16.104 714 HZ3 TRP 88 HZ3 TRP 88 8.684 -9.323 -19.758 715 HH2 TRP 88 HH2 TRP 88 6.523 -9.323 -18.451 716 H ASP 89 H ASP 89 13.019 -12.602 -12.645 717 HA ASP 89 HA ASP 89 13.570 -15.289 -13.372 718 1HB ASP 89 1HB ASP 89 13.683 -14.640 -10.965 719 2HB ASP 89 2HB ASP 89 12.012 -14.079 -11.000 720 H GLY 90 H GLY 90 10.478 -13.751 -12.450 721 1HA GLY 90 1HA GLY 90 8.747 -13.966 -14.400 722 2HA GLY 90 2HA GLY 90 8.988 -15.757 -13.975 723 H ASP 91 H ASP 91 7.314 -12.958 -13.234 724 HA ASP 91 HA ASP 91 5.555 -12.660 -11.735 725 1HB ASP 91 1HB ASP 91 5.660 -15.270 -11.423 726 2HB ASP 91 2HB ASP 91 6.512 -14.816 -9.894 727 H LYS 92 H LYS 92 8.929 -13.111 -10.671 728 HA LYS 92 HA LYS 92 8.468 -10.892 -8.765 729 1HB LYS 92 1HB LYS 92 10.704 -12.882 -8.447 730 2HB LYS 92 2HB LYS 92 10.052 -11.719 -7.294 731 1HG LYS 92 1HG LYS 92 7.833 -13.100 -7.478 732 2HG LYS 92 2HG LYS 92 8.836 -14.386 -8.223 733 1HD LYS 92 1HD LYS 92 8.853 -13.412 -5.359 734 2HD LYS 92 2HD LYS 92 8.936 -15.049 -6.040 735 1HE LYS 92 1HE LYS 92 11.323 -14.492 -6.797 736 2HE LYS 92 2HE LYS 92 11.141 -13.000 -5.803 737 1HZ LYS 92 1HZ LYS 92 10.587 -15.625 -4.649 738 2HZ LYS 92 2HZ LYS 92 10.982 -14.142 -3.921 739 3HZ LYS 92 3HZ LYS 92 12.153 -15.059 -4.778 740 H LEU 93 H LEU 93 9.928 -9.244 -8.827 741 HA LEU 93 HA LEU 93 11.742 -9.178 -11.127 742 1HB LEU 93 1HB LEU 93 10.046 -7.244 -10.265 743 2HB LEU 93 2HB LEU 93 11.293 -6.948 -9.109 744 HG LEU 93 HG LEU 93 12.474 -7.153 -11.783 745 1HD1 LEU 93 1HD1 LEU 93 11.047 -4.686 -12.150 746 2HD1 LEU 93 2HD1 LEU 93 9.829 -5.878 -11.666 747 3HD1 LEU 93 3HD1 LEU 93 10.791 -6.162 -13.123 748 1HD2 LEU 93 1HD2 LEU 93 13.130 -4.719 -11.220 749 2HD2 LEU 93 2HD2 LEU 93 13.587 -5.853 -9.966 750 3HD2 LEU 93 3HD2 LEU 93 12.166 -4.869 -9.713 751 H GLN 94 H GLN 94 13.602 -10.088 -10.698 752 HA GLN 94 HA GLN 94 14.892 -9.682 -8.032 753 1HB GLN 94 1HB GLN 94 14.144 -12.070 -9.357 754 2HB GLN 94 2HB GLN 94 15.927 -12.003 -9.415 755 1HG GLN 94 1HG GLN 94 16.146 -12.026 -7.139 756 2HG GLN 94 2HG GLN 94 14.573 -11.320 -6.812 757 1HE2 GLN 94 1HE2 GLN 94 15.755 -14.266 -8.662 758 2HE2 GLN 94 2HE2 GLN 94 14.788 -15.403 -7.755 759 H CYS 95 H CYS 95 16.921 -9.125 -7.900 760 HA CYS 95 HA CYS 95 18.670 -8.949 -10.345 761 1HB CYS 95 1HB CYS 95 19.459 -6.717 -9.613 762 2HB CYS 95 2HB CYS 95 17.786 -6.717 -10.198 763 HG CYS 95 HG CYS 95 18.778 -5.282 -7.843 764 H VAL 96 H VAL 96 20.904 -8.969 -9.826 765 HA VAL 96 HA VAL 96 21.493 -10.023 -7.073 766 HB VAL 96 HB VAL 96 22.624 -10.643 -9.787 767 1HG1 VAL 96 1HG1 VAL 96 24.781 -10.648 -9.022 768 2HG1 VAL 96 2HG1 VAL 96 24.282 -11.939 -7.885 769 3HG1 VAL 96 3HG1 VAL 96 24.282 -10.255 -7.382 770 1HG2 VAL 96 1HG2 VAL 96 20.847 -12.138 -8.771 771 2HG2 VAL 96 2HG2 VAL 96 21.982 -12.450 -7.420 772 3HG2 VAL 96 3HG2 VAL 96 22.353 -12.972 -9.092 773 H GLN 97 H GLN 97 22.914 -8.145 -9.786 774 HA GLN 97 HA GLN 97 24.156 -6.205 -9.851 775 1HB GLN 97 1HB GLN 97 23.383 -4.643 -8.552 776 2HB GLN 97 2HB GLN 97 22.439 -5.904 -7.699 777 1HG GLN 97 1HG GLN 97 24.125 -6.115 -5.917 778 2HG GLN 97 2HG GLN 97 25.250 -5.118 -6.833 779 1HE2 GLN 97 1HE2 GLN 97 21.724 -4.606 -6.298 780 2HE2 GLN 97 2HE2 GLN 97 21.881 -3.123 -5.393 781 H LYS 98 H LYS 98 26.178 -6.603 -10.227 782 HA LYS 98 HA LYS 98 27.828 -8.237 -8.478 783 1HB LYS 98 1HB LYS 98 27.608 -7.910 -11.134 784 2HB LYS 98 2HB LYS 98 28.975 -6.866 -10.855 785 1HG LYS 98 1HG LYS 98 30.304 -8.683 -10.672 786 2HG LYS 98 2HG LYS 98 29.332 -9.305 -9.322 787 1HD LYS 98 1HD LYS 98 27.982 -10.656 -10.759 788 2HD LYS 98 2HD LYS 98 28.161 -9.542 -12.091 789 1HE LYS 98 1HE LYS 98 29.426 -11.774 -12.425 790 2HE LYS 98 2HE LYS 98 30.386 -10.298 -12.616 791 1HZ LYS 98 1HZ LYS 98 31.755 -11.145 -11.050 792 2HZ LYS 98 2HZ LYS 98 30.752 -12.451 -10.815 793 3HZ LYS 98 3HZ LYS 98 30.494 -11.056 -9.910 794 H GLY 99 H GLY 99 27.559 -6.465 -6.642 795 1HA GLY 99 1HA GLY 99 29.451 -4.232 -7.021 796 2HA GLY 99 2HA GLY 99 28.373 -4.544 -5.614 797 H GLU 100 H GLU 100 31.370 -4.049 -5.762 798 HA GLU 100 HA GLU 100 32.962 -6.297 -5.385 799 1HB GLU 100 1HB GLU 100 34.235 -4.924 -3.782 800 2HB GLU 100 2HB GLU 100 34.031 -4.476 -5.463 801 1HG GLU 100 1HG GLU 100 32.500 -2.679 -4.895 802 2HG GLU 100 2HG GLU 100 32.164 -3.328 -3.282 803 H LYS 101 H LYS 101 30.469 -5.205 -3.048 804 HA LYS 101 HA LYS 101 31.566 -6.565 -0.755 805 1HB LYS 101 1HB LYS 101 29.536 -4.859 -1.302 806 2HB LYS 101 2HB LYS 101 28.672 -6.329 -0.888 807 1HG LYS 101 1HG LYS 101 29.224 -6.181 1.313 808 2HG LYS 101 2HG LYS 101 30.956 -5.862 0.986 809 1HD LYS 101 1HD LYS 101 29.012 -3.606 0.426 810 2HD LYS 101 2HD LYS 101 29.391 -3.953 2.088 811 1HE LYS 101 1HE LYS 101 31.956 -4.121 1.000 812 2HE LYS 101 2HE LYS 101 31.183 -2.860 -0.008 813 1HZ LYS 101 1HZ LYS 101 31.847 -1.644 1.709 814 2HZ LYS 101 2HZ LYS 101 31.761 -2.858 2.868 815 3HZ LYS 101 3HZ LYS 101 30.336 -2.087 2.351 816 H GLU 102 H GLU 102 29.312 -8.052 0.181 817 HA GLU 102 HA GLU 102 29.536 -10.559 -1.395 818 1HB GLU 102 1HB GLU 102 28.897 -10.489 1.520 819 2HB GLU 102 2HB GLU 102 29.650 -11.732 0.530 820 1HG GLU 102 1HG GLU 102 31.483 -9.558 0.342 821 2HG GLU 102 2HG GLU 102 30.966 -9.501 2.014 822 H GLY 103 H GLY 103 27.318 -8.253 0.208 823 1HA GLY 103 1HA GLY 103 25.059 -10.174 -0.363 824 2HA GLY 103 2HA GLY 103 25.021 -9.034 0.926 825 H ARG 104 H ARG 104 26.319 -7.610 -1.889 826 HA ARG 104 HA ARG 104 24.210 -5.695 -2.101 827 1HB ARG 104 1HB ARG 104 26.008 -6.703 -4.317 828 2HB ARG 104 2HB ARG 104 25.078 -5.211 -4.361 829 1HG ARG 104 1HG ARG 104 27.527 -5.852 -2.712 830 2HG ARG 104 2HG ARG 104 27.212 -4.397 -3.729 831 1HD ARG 104 1HD ARG 104 25.937 -5.145 -1.069 832 2HD ARG 104 2HD ARG 104 27.103 -3.823 -1.357 833 HE ARG 104 HE ARG 104 24.258 -3.735 -1.855 834 1HH1 ARG 104 1HH1 ARG 104 27.329 -2.464 -3.154 835 2HH1 ARG 104 2HH1 ARG 104 26.556 -1.097 -3.836 836 1HH2 ARG 104 1HH2 ARG 104 23.307 -1.939 -2.762 837 2HH2 ARG 104 2HH2 ARG 104 24.268 -0.771 -3.630 838 H GLY 105 H GLY 105 22.445 -5.443 -3.283 839 1HA GLY 105 1HA GLY 105 21.127 -6.123 -5.262 840 2HA GLY 105 2HA GLY 105 21.449 -7.841 -4.801 841 H TRP 106 H TRP 106 18.893 -6.319 -5.136 842 HA TRP 106 HA TRP 106 17.767 -6.833 -2.373 843 1HB TRP 106 1HB TRP 106 15.906 -5.250 -3.437 844 2HB TRP 106 2HB TRP 106 17.115 -4.772 -2.247 845 HD1 TRP 106 HD1 TRP 106 19.124 -3.203 -3.066 846 HE1 TRP 106 HE1 TRP 106 19.469 -1.635 -5.137 847 HE3 TRP 106 HE3 TRP 106 15.314 -4.987 -6.095 848 HZ2 TRP 106 HZ2 TRP 106 18.260 -1.288 -7.613 849 HZ3 TRP 106 HZ3 TRP 106 14.983 -3.941 -8.323 850 HH2 TRP 106 HH2 TRP 106 16.466 -2.117 -9.043 851 H THR 107 H THR 107 15.208 -7.122 -2.630 852 HA THR 107 HA THR 107 14.522 -8.595 -5.139 853 HB THR 107 HB THR 107 14.374 -9.705 -2.353 854 HG1 THR 107 HG1 THR 107 15.639 -10.777 -4.656 855 1HG2 THR 107 1HG2 THR 107 13.437 -10.852 -5.121 856 2HG2 THR 107 2HG2 THR 107 12.305 -10.400 -3.840 857 3HG2 THR 107 3HG2 THR 107 13.395 -11.789 -3.650 858 H GLN 108 H GLN 108 12.484 -8.134 -5.673 859 HA GLN 108 HA GLN 108 10.641 -6.933 -3.637 860 1HB GLN 108 1HB GLN 108 11.747 -5.945 -6.086 861 2HB GLN 108 2HB GLN 108 10.132 -6.307 -6.494 862 1HG GLN 108 1HG GLN 108 10.475 -4.809 -3.896 863 2HG GLN 108 2HG GLN 108 10.932 -3.922 -5.336 864 1HE2 GLN 108 1HE2 GLN 108 8.392 -6.248 -4.324 865 2HE2 GLN 108 2HE2 GLN 108 7.050 -5.437 -5.006 866 H TRP 109 H TRP 109 8.821 -8.037 -3.389 867 HA TRP 109 HA TRP 109 7.568 -9.573 -5.610 868 1HB TRP 109 1HB TRP 109 7.251 -11.547 -4.525 869 2HB TRP 109 2HB TRP 109 8.945 -11.193 -4.361 870 HD1 TRP 109 HD1 TRP 109 5.645 -11.141 -2.313 871 HE1 TRP 109 HE1 TRP 109 6.225 -11.394 0.200 872 HE3 TRP 109 HE3 TRP 109 10.790 -10.951 -2.515 873 HZ2 TRP 109 HZ2 TRP 109 8.441 -11.514 1.902 874 HZ3 TRP 109 HZ3 TRP 109 12.060 -11.132 -0.397 875 HH2 TRP 109 HH2 TRP 109 10.960 -11.414 1.769 876 H ILE 110 H ILE 110 5.337 -9.872 -5.366 877 HA ILE 110 HA ILE 110 4.022 -7.955 -3.591 878 HB ILE 110 HB ILE 110 3.152 -9.676 -5.906 879 1HG1 ILE 110 1HG1 ILE 110 3.705 -6.697 -5.501 880 2HG1 ILE 110 2HG1 ILE 110 4.685 -7.846 -6.411 881 1HG2 ILE 110 1HG2 ILE 110 0.995 -8.405 -5.882 882 2HG2 ILE 110 2HG2 ILE 110 1.507 -7.495 -4.457 883 3HG2 ILE 110 3HG2 ILE 110 1.181 -9.233 -4.319 884 1HD1 ILE 110 1HD1 ILE 110 2.958 -7.926 -8.206 885 2HD1 ILE 110 2HD1 ILE 110 3.129 -6.232 -7.773 886 3HD1 ILE 110 3HD1 ILE 110 1.768 -7.137 -7.156 887 H GLU 111 H GLU 111 2.326 -8.448 -2.134 888 HA GLU 111 HA GLU 111 1.891 -11.335 -1.546 889 1HB GLU 111 1HB GLU 111 3.080 -9.228 0.141 890 2HB GLU 111 2HB GLU 111 1.676 -9.886 0.914 891 1HG GLU 111 1HG GLU 111 2.594 -12.204 0.529 892 2HG GLU 111 2HG GLU 111 4.135 -11.463 0.109 893 H GLY 112 H GLY 112 0.075 -10.790 -2.966 894 1HA GLY 112 1HA GLY 112 -2.106 -10.137 -3.503 895 2HA GLY 112 2HA GLY 112 -2.376 -10.655 -1.811 896 H ASP 113 H ASP 113 -1.446 -7.897 -3.930 897 HA ASP 113 HA ASP 113 -2.047 -5.629 -3.819 898 1HB ASP 113 1HB ASP 113 -3.522 -6.075 -1.234 899 2HB ASP 113 2HB ASP 113 -3.691 -4.840 -2.474 900 H GLU 114 H GLU 114 0.254 -7.016 -2.217 901 HA GLU 114 HA GLU 114 0.819 -4.594 -0.545 902 1HB GLU 114 1HB GLU 114 1.332 -7.334 0.536 903 2HB GLU 114 2HB GLU 114 1.738 -5.845 1.305 904 1HG GLU 114 1HG GLU 114 -1.016 -5.617 0.743 905 2HG GLU 114 2HG GLU 114 -0.808 -7.336 1.162 906 H LEU 115 H LEU 115 2.445 -3.830 -1.647 907 HA LEU 115 HA LEU 115 4.539 -5.328 -2.886 908 1HB LEU 115 1HB LEU 115 3.940 -2.513 -2.211 909 2HB LEU 115 2HB LEU 115 5.638 -2.869 -1.988 910 HG LEU 115 HG LEU 115 6.016 -3.431 -4.208 911 1HD1 LEU 115 1HD1 LEU 115 3.261 -2.846 -5.278 912 2HD1 LEU 115 2HD1 LEU 115 3.356 -4.297 -4.318 913 3HD1 LEU 115 3HD1 LEU 115 4.400 -4.159 -5.732 914 1HD2 LEU 115 1HD2 LEU 115 4.229 -1.019 -4.696 915 2HD2 LEU 115 2HD2 LEU 115 5.968 -1.198 -4.967 916 3HD2 LEU 115 3HD2 LEU 115 5.342 -0.942 -3.317 917 H HIS 116 H HIS 116 6.181 -6.448 -1.776 918 HA HIS 116 HA HIS 116 6.936 -5.471 0.974 919 1HB HIS 116 1HB HIS 116 5.292 -7.442 0.928 920 2HB HIS 116 2HB HIS 116 6.646 -8.433 0.264 921 HD1 HIS 116 HD1 HIS 116 5.102 -8.149 3.308 922 HD2 HIS 116 HD2 HIS 116 9.076 -7.390 2.188 923 HE1 HIS 116 HE1 HIS 116 6.506 -8.319 5.453 924 HE2 HIS 116 HE2 HIS 116 8.885 -7.863 4.774 925 H LEU 117 H LEU 117 8.760 -4.649 0.369 926 HA LEU 117 HA LEU 117 10.639 -6.026 -1.443 927 1HB LEU 117 1HB LEU 117 10.341 -3.707 -1.783 928 2HB LEU 117 2HB LEU 117 10.294 -3.354 -0.147 929 HG LEU 117 HG LEU 117 12.767 -3.687 0.092 930 1HD1 LEU 117 1HD1 LEU 117 13.836 -4.800 -1.648 931 2HD1 LEU 117 2HD1 LEU 117 13.544 -3.359 -2.661 932 3HD1 LEU 117 3HD1 LEU 117 12.384 -4.706 -2.656 933 1HD2 LEU 117 1HD2 LEU 117 11.339 -1.537 -1.160 934 2HD2 LEU 117 2HD2 LEU 117 12.918 -1.628 -1.971 935 3HD2 LEU 117 3HD2 LEU 117 12.813 -1.425 -0.203 936 H GLU 118 H GLU 118 12.688 -6.608 -0.915 937 HA GLU 118 HA GLU 118 13.517 -6.777 1.979 938 1HB GLU 118 1HB GLU 118 12.543 -8.917 0.541 939 2HB GLU 118 2HB GLU 118 14.282 -9.021 0.197 940 1HG GLU 118 1HG GLU 118 14.262 -8.547 2.965 941 2HG GLU 118 2HG GLU 118 12.773 -9.449 2.780 942 H MET 119 H MET 119 15.508 -5.802 2.148 943 HA MET 119 HA MET 119 17.216 -5.782 -0.310 944 1HB MET 119 1HB MET 119 17.680 -3.593 1.487 945 2HB MET 119 2HB MET 119 17.380 -3.580 -0.266 946 1HG MET 119 1HG MET 119 14.940 -3.730 0.208 947 2HG MET 119 2HG MET 119 15.281 -3.532 1.959 948 1HE MET 119 1HE MET 119 14.150 -0.094 1.596 949 2HE MET 119 2HE MET 119 15.153 -0.800 2.863 950 3HE MET 119 3HE MET 119 13.852 -1.809 2.114 951 H ARG 120 H ARG 120 19.211 -6.540 0.057 952 HA ARG 120 HA ARG 120 20.094 -6.880 2.908 953 1HB ARG 120 1HB ARG 120 20.419 -8.789 0.576 954 2HB ARG 120 2HB ARG 120 21.316 -8.965 2.083 955 1HG ARG 120 1HG ARG 120 18.867 -8.812 3.199 956 2HG ARG 120 2HG ARG 120 18.410 -9.354 1.578 957 1HD ARG 120 1HD ARG 120 20.269 -10.787 3.492 958 2HD ARG 120 2HD ARG 120 18.702 -11.333 2.891 959 HE ARG 120 HE ARG 120 21.267 -11.437 1.485 960 1HH1 ARG 120 1HH1 ARG 120 17.731 -11.542 0.987 961 2HH1 ARG 120 2HH1 ARG 120 17.847 -12.361 -0.515 962 1HH2 ARG 120 1HH2 ARG 120 21.413 -12.503 -0.495 963 2HH2 ARG 120 2HH2 ARG 120 19.933 -12.878 -1.344 964 H ALA 121 H ALA 121 22.300 -6.544 3.318 965 HA ALA 121 HA ALA 121 24.130 -5.976 1.112 966 1HB ALA 121 1HB ALA 121 24.777 -3.793 2.456 967 2HB ALA 121 2HB ALA 121 23.046 -3.734 2.820 968 3HB ALA 121 3HB ALA 121 23.586 -3.726 1.114 969 H GLU 122 H GLU 122 25.751 -7.104 1.677 970 HA GLU 122 HA GLU 122 27.292 -8.302 2.883 971 1HB GLU 122 1HB GLU 122 27.887 -5.883 2.938 972 2HB GLU 122 2HB GLU 122 27.340 -5.839 4.619 973 1HG GLU 122 1HG GLU 122 29.052 -8.141 4.315 974 2HG GLU 122 2HG GLU 122 29.883 -6.822 3.479 975 H GLY 123 H GLY 123 25.033 -9.498 3.688 976 1HA GLY 123 1HA GLY 123 24.543 -11.012 5.466 977 2HA GLY 123 2HA GLY 123 25.615 -10.107 6.499 978 H VAL 124 H VAL 124 23.990 -7.521 5.729 979 HA VAL 124 HA VAL 124 22.047 -7.761 7.954 980 HB VAL 124 HB VAL 124 22.996 -5.561 6.144 981 1HG1 VAL 124 1HG1 VAL 124 20.260 -5.592 7.560 982 2HG1 VAL 124 2HG1 VAL 124 20.717 -4.917 5.995 983 3HG1 VAL 124 3HG1 VAL 124 21.174 -4.100 7.535 984 1HG2 VAL 124 1HG2 VAL 124 23.681 -4.573 8.136 985 2HG2 VAL 124 2HG2 VAL 124 23.908 -6.315 8.522 986 3HG2 VAL 124 3HG2 VAL 124 22.500 -5.487 9.135 987 H THR 125 H THR 125 19.857 -7.523 7.817 988 HA THR 125 HA THR 125 18.645 -8.033 5.121 989 HB THR 125 HB THR 125 18.347 -9.675 7.640 990 HG1 THR 125 HG1 THR 125 18.929 -11.255 6.276 991 1HG2 THR 125 1HG2 THR 125 16.068 -10.074 7.097 992 2HG2 THR 125 2HG2 THR 125 16.612 -10.631 5.483 993 3HG2 THR 125 3HG2 THR 125 16.189 -8.945 5.741 994 H CYS 126 H CYS 126 18.094 -5.901 5.166 995 HA CYS 126 HA CYS 126 16.087 -4.981 7.175 996 1HB CYS 126 1HB CYS 126 16.364 -2.765 6.282 997 2HB CYS 126 2HB CYS 126 17.972 -3.468 6.665 998 HG CYS 126 HG CYS 126 17.551 -1.807 4.463 999 H LYS 127 H LYS 127 13.972 -4.167 6.290 1000 HA LYS 127 HA LYS 127 13.406 -4.903 3.474 1001 1HB LYS 127 1HB LYS 127 11.209 -5.979 4.843 1002 2HB LYS 127 2HB LYS 127 12.438 -6.711 3.776 1003 1HG LYS 127 1HG LYS 127 13.874 -7.075 5.812 1004 2HG LYS 127 2HG LYS 127 12.658 -6.279 6.813 1005 1HD LYS 127 1HD LYS 127 11.813 -8.634 5.116 1006 2HD LYS 127 2HD LYS 127 12.709 -8.954 6.603 1007 1HE LYS 127 1HE LYS 127 10.414 -7.008 6.890 1008 2HE LYS 127 2HE LYS 127 9.980 -8.695 6.487 1009 1HZ LYS 127 1HZ LYS 127 10.903 -9.486 8.416 1010 2HZ LYS 127 2HZ LYS 127 10.327 -7.975 8.959 1011 3HZ LYS 127 3HZ LYS 127 11.953 -8.196 8.573 1012 H GLN 128 H GLN 128 11.699 -3.973 2.596 1013 HA GLN 128 HA GLN 128 10.370 -1.794 4.187 1014 1HB GLN 128 1HB GLN 128 11.794 -1.766 1.712 1015 2HB GLN 128 2HB GLN 128 10.107 -1.441 1.351 1016 1HG GLN 128 1HG GLN 128 10.911 0.064 3.741 1017 2HG GLN 128 2HG GLN 128 11.978 0.403 2.408 1018 1HE2 GLN 128 1HE2 GLN 128 8.608 0.575 3.479 1019 2HE2 GLN 128 2HE2 GLN 128 8.098 1.654 2.216 1020 H VAL 129 H VAL 129 8.294 -2.014 4.549 1021 HA VAL 129 HA VAL 129 6.749 -3.988 2.909 1022 HB VAL 129 HB VAL 129 6.276 -2.787 5.631 1023 1HG1 VAL 129 1HG1 VAL 129 4.454 -4.806 4.159 1024 2HG1 VAL 129 2HG1 VAL 129 4.109 -3.053 4.331 1025 3HG1 VAL 129 3HG1 VAL 129 4.205 -4.119 5.740 1026 1HG2 VAL 129 1HG2 VAL 129 7.236 -5.443 4.503 1027 2HG2 VAL 129 2HG2 VAL 129 6.116 -5.568 5.866 1028 3HG2 VAL 129 3HG2 VAL 129 7.647 -4.742 6.081 1029 H PHE 130 H PHE 130 4.996 -3.140 1.723 1030 HA PHE 130 HA PHE 130 4.280 -0.216 1.940 1031 1HB PHE 130 1HB PHE 130 4.927 -2.030 -0.404 1032 2HB PHE 130 2HB PHE 130 3.756 -0.737 -0.638 1033 HD1 PHE 130 HD1 PHE 130 7.090 -1.621 -1.104 1034 HD2 PHE 130 HD2 PHE 130 4.739 1.640 0.411 1035 HE1 PHE 130 HE1 PHE 130 8.928 -0.034 -1.511 1036 HE2 PHE 130 HE2 PHE 130 6.568 3.209 0.016 1037 HZ PHE 130 HZ PHE 130 8.701 2.376 -0.950 1038 H LYS 131 H LYS 131 2.290 0.090 0.445 1039 HA LYS 131 HA LYS 131 0.356 -2.121 0.901 1040 1HB LYS 131 1HB LYS 131 0.395 0.162 2.438 1041 2HB LYS 131 2HB LYS 131 -0.791 0.570 1.172 1042 1HG LYS 131 1HG LYS 131 -0.963 -1.683 3.180 1043 2HG LYS 131 2HG LYS 131 -2.096 -0.359 2.923 1044 1HD LYS 131 1HD LYS 131 -1.751 -1.832 0.422 1045 2HD LYS 131 2HD LYS 131 -2.151 -2.971 1.715 1046 1HE LYS 131 1HE LYS 131 -4.235 -2.149 0.680 1047 2HE LYS 131 2HE LYS 131 -4.132 -1.600 2.350 1048 1HZ LYS 131 1HZ LYS 131 -3.010 0.480 1.242 1049 2HZ LYS 131 2HZ LYS 131 -4.674 0.323 1.271 1050 3HZ LYS 131 3HZ LYS 131 -3.831 -0.084 -0.141 1051 H LYS 132 H LYS 132 0.159 -2.701 -1.224 1052 HA LYS 132 HA LYS 132 0.192 -0.686 -3.342 1053 1HB LYS 132 1HB LYS 132 0.354 -3.516 -3.258 1054 2HB LYS 132 2HB LYS 132 -1.190 -3.236 -4.010 1055 1HG LYS 132 1HG LYS 132 1.189 -1.622 -4.931 1056 2HG LYS 132 2HG LYS 132 1.021 -3.352 -5.441 1057 1HD LYS 132 1HD LYS 132 -1.529 -1.846 -5.610 1058 2HD LYS 132 2HD LYS 132 -0.275 -1.063 -6.570 1059 1HE LYS 132 1HE LYS 132 -1.329 -2.712 -8.041 1060 2HE LYS 132 2HE LYS 132 0.297 -3.316 -7.659 1061 1HZ LYS 132 1HZ LYS 132 -1.959 -4.088 -5.997 1062 2HZ LYS 132 2HZ LYS 132 -0.580 -4.976 -6.375 1063 3HZ LYS 132 3HZ LYS 132 -1.798 -4.766 -7.534 1064 H VAL 133 H VAL 133 -1.212 0.894 -3.060 1065 HA VAL 133 HA VAL 133 -3.990 0.350 -2.216 1066 HB VAL 133 HB VAL 133 -4.512 2.581 -2.770 1067 1HG1 VAL 133 1HG1 VAL 133 -2.154 2.037 -0.885 1068 2HG1 VAL 133 2HG1 VAL 133 -3.842 2.360 -0.498 1069 3HG1 VAL 133 3HG1 VAL 133 -2.822 3.672 -1.062 1070 1HG2 VAL 133 1HG2 VAL 133 -2.443 2.480 -4.530 1071 2HG2 VAL 133 2HG2 VAL 133 -1.556 3.317 -3.212 1072 3HG2 VAL 133 3HG2 VAL 133 -2.984 4.053 -3.886 1073 H HIS 134 H HIS 134 -2.387 -0.125 -5.136 1074 HA HIS 134 HA HIS 134 -3.132 -0.716 -7.186 1075 1HB HIS 134 1HB HIS 134 -4.853 -1.867 -5.945 1076 2HB HIS 134 2HB HIS 134 -5.926 -0.482 -6.100 1077 HD1 HIS 134 HD1 HIS 134 -6.432 0.242 -8.759 1078 HD2 HIS 134 HD2 HIS 134 -4.875 -3.584 -8.059 1079 HE1 HIS 134 HE1 HIS 134 -6.890 -1.077 -10.896 1080 HE2 HIS 134 HE2 HIS 134 -5.904 -3.453 -10.445 Start of MODEL 15 1 1H PRO 1 1H PRO 1 1.371 -9.626 -16.968 2 2H PRO 1 2H PRO 1 0.011 -10.553 -16.805 3 HA PRO 1 HA PRO 1 0.846 -11.955 -15.402 4 1HB PRO 1 1HB PRO 1 3.575 -12.374 -16.219 5 2HB PRO 1 2HB PRO 1 2.137 -13.455 -16.537 6 1HG PRO 1 1HG PRO 1 3.270 -11.154 -18.196 7 2HG PRO 1 2HG PRO 1 2.694 -12.707 -18.759 8 1HD PRO 1 1HD PRO 1 1.034 -10.660 -19.132 9 2HD PRO 1 2HD PRO 1 0.347 -12.110 -18.308 10 H VAL 2 H VAL 2 0.667 -10.125 -13.995 11 HA VAL 2 HA VAL 2 1.478 -8.827 -12.244 12 HB VAL 2 HB VAL 2 4.361 -9.407 -12.773 13 1HG1 VAL 2 1HG1 VAL 2 3.323 -8.043 -10.802 14 2HG1 VAL 2 2HG1 VAL 2 4.599 -9.190 -10.461 15 3HG1 VAL 2 3HG1 VAL 2 2.914 -9.615 -10.108 16 1HG2 VAL 2 1HG2 VAL 2 3.584 -11.562 -11.122 17 2HG2 VAL 2 2HG2 VAL 2 3.913 -11.752 -12.853 18 3HG2 VAL 2 3HG2 VAL 2 2.239 -11.497 -12.277 19 H ASP 3 H ASP 3 1.000 -6.857 -13.102 20 HA ASP 3 HA ASP 3 2.787 -5.638 -15.146 21 1HB ASP 3 1HB ASP 3 0.805 -4.068 -13.627 22 2HB ASP 3 2HB ASP 3 1.146 -4.075 -15.400 23 H PHE 4 H PHE 4 2.701 -5.974 -11.744 24 HA PHE 4 HA PHE 4 4.027 -4.993 -10.065 25 1HB PHE 4 1HB PHE 4 5.560 -3.986 -12.422 26 2HB PHE 4 2HB PHE 4 5.858 -3.506 -10.749 27 HD1 PHE 4 HD1 PHE 4 5.974 -6.380 -13.108 28 HD2 PHE 4 HD2 PHE 4 6.511 -5.045 -9.057 29 HE1 PHE 4 HE1 PHE 4 7.194 -8.496 -12.542 30 HE2 PHE 4 HE2 PHE 4 7.719 -7.157 -8.490 31 HZ PHE 4 HZ PHE 4 8.046 -8.844 -10.262 32 H ASN 5 H ASN 5 3.993 -2.360 -12.520 33 HA ASN 5 HA ASN 5 3.936 -0.113 -10.883 34 1HB ASN 5 1HB ASN 5 4.048 0.815 -12.793 35 2HB ASN 5 2HB ASN 5 3.524 -0.707 -13.575 36 1HD2 ASN 5 1HD2 ASN 5 2.694 2.559 -12.907 37 2HD2 ASN 5 2HD2 ASN 5 1.027 2.442 -13.475 38 H GLY 6 H GLY 6 2.320 1.205 -10.026 39 1HA GLY 6 1HA GLY 6 -0.503 0.901 -10.345 40 2HA GLY 6 2HA GLY 6 -0.039 -0.132 -9.070 41 H TYR 7 H TYR 7 1.544 0.880 -7.473 42 HA TYR 7 HA TYR 7 1.674 3.553 -6.782 43 1HB TYR 7 1HB TYR 7 -0.983 2.608 -6.259 44 2HB TYR 7 2HB TYR 7 -0.102 2.381 -4.712 45 HD1 TYR 7 HD1 TYR 7 -0.630 5.157 -7.257 46 HD2 TYR 7 HD2 TYR 7 0.101 4.039 -3.198 47 HE1 TYR 7 HE1 TYR 7 -0.828 7.563 -6.555 48 HE2 TYR 7 HE2 TYR 7 -0.080 6.422 -2.541 49 HH TYR 7 HH TYR 7 0.124 8.959 -4.493 50 H TRP 8 H TRP 8 1.766 3.186 -4.040 51 HA TRP 8 HA TRP 8 3.601 0.821 -3.662 52 1HB TRP 8 1HB TRP 8 5.170 2.695 -2.635 53 2HB TRP 8 2HB TRP 8 5.216 2.210 -4.344 54 HD1 TRP 8 HD1 TRP 8 4.043 3.853 -6.137 55 HE1 TRP 8 HE1 TRP 8 3.431 6.361 -6.186 56 HE3 TRP 8 HE3 TRP 8 4.409 4.775 -1.130 57 HZ2 TRP 8 HZ2 TRP 8 3.142 8.437 -4.328 58 HZ3 TRP 8 HZ3 TRP 8 3.946 7.049 -0.305 59 HH2 TRP 8 HH2 TRP 8 3.330 8.849 -1.895 60 H LYS 9 H LYS 9 2.477 3.856 -2.272 61 HA LYS 9 HA LYS 9 2.839 4.547 -0.049 62 1HB LYS 9 1HB LYS 9 0.809 5.027 0.339 63 2HB LYS 9 2HB LYS 9 0.401 4.012 -1.058 64 1HG LYS 9 1HG LYS 9 -0.301 2.194 0.331 65 2HG LYS 9 2HG LYS 9 0.410 2.882 1.819 66 1HD LYS 9 1HD LYS 9 -1.072 4.972 1.294 67 2HD LYS 9 2HD LYS 9 -2.071 3.792 0.391 68 1HE LYS 9 1HE LYS 9 -1.937 2.318 2.542 69 2HE LYS 9 2HE LYS 9 -1.205 3.730 3.330 70 1HZ LYS 9 1HZ LYS 9 -3.621 3.578 3.650 71 2HZ LYS 9 2HZ LYS 9 -3.896 3.796 1.992 72 3HZ LYS 9 3HZ LYS 9 -3.171 5.020 2.852 73 H MET 10 H MET 10 4.370 3.791 1.150 74 HA MET 10 HA MET 10 4.724 1.111 2.024 75 1HB MET 10 1HB MET 10 6.179 2.168 3.851 76 2HB MET 10 2HB MET 10 6.640 2.061 2.133 77 1HG MET 10 1HG MET 10 7.233 4.251 3.244 78 2HG MET 10 2HG MET 10 6.219 4.414 1.828 79 1HE MET 10 1HE MET 10 6.782 6.496 4.101 80 2HE MET 10 2HE MET 10 5.209 7.076 4.715 81 3HE MET 10 3HE MET 10 5.495 7.036 2.949 82 H LEU 11 H LEU 11 4.815 0.240 4.025 83 HA LEU 11 HA LEU 11 2.611 1.027 5.836 84 1HB LEU 11 1HB LEU 11 3.200 -1.396 4.421 85 2HB LEU 11 2HB LEU 11 3.811 -1.758 5.946 86 HG LEU 11 HG LEU 11 1.471 -2.466 5.376 87 1HD1 LEU 11 1HD1 LEU 11 0.769 -2.440 7.691 88 2HD1 LEU 11 2HD1 LEU 11 1.537 -0.876 7.954 89 3HD1 LEU 11 3HD1 LEU 11 2.560 -2.291 7.707 90 1HD2 LEU 11 1HD2 LEU 11 -0.364 -0.753 5.537 91 2HD2 LEU 11 2HD2 LEU 11 0.937 0.129 4.661 92 3HD2 LEU 11 3HD2 LEU 11 0.715 0.339 6.398 93 H SER 12 H SER 12 5.905 -0.484 5.638 94 HA SER 12 HA SER 12 6.648 0.915 8.184 95 1HB SER 12 1HB SER 12 7.105 -0.751 9.463 96 2HB SER 12 2HB SER 12 5.663 -1.396 8.656 97 HG SER 12 HG SER 12 7.569 -2.192 7.153 98 H ASN 13 H ASN 13 8.935 0.010 8.831 99 HA ASN 13 HA ASN 13 10.769 -0.452 6.643 100 1HB ASN 13 1HB ASN 13 10.186 2.311 7.590 101 2HB ASN 13 2HB ASN 13 11.940 1.904 7.395 102 1HD2 ASN 13 1HD2 ASN 13 9.186 3.135 5.798 103 2HD2 ASN 13 2HD2 ASN 13 9.684 2.852 4.179 104 H GLU 14 H GLU 14 12.603 -1.338 7.581 105 HA GLU 14 HA GLU 14 13.375 -0.614 10.361 106 1HB GLU 14 1HB GLU 14 13.315 -2.836 11.225 107 2HB GLU 14 2HB GLU 14 11.733 -2.112 10.962 108 1HG GLU 14 1HG GLU 14 11.444 -3.442 8.913 109 2HG GLU 14 2HG GLU 14 13.043 -4.150 9.085 110 H ASN 15 H ASN 15 15.339 -1.547 10.996 111 HA ASN 15 HA ASN 15 17.481 -2.357 10.767 112 1HB ASN 15 1HB ASN 15 16.111 -4.136 9.356 113 2HB ASN 15 2HB ASN 15 17.278 -3.506 8.122 114 1HD2 ASN 15 1HD2 ASN 15 16.889 -5.313 11.214 115 2HD2 ASN 15 2HD2 ASN 15 18.559 -5.720 11.349 116 H PHE 16 H PHE 16 16.261 0.035 9.031 117 HA PHE 16 HA PHE 16 18.020 0.732 6.856 118 1HB PHE 16 1HB PHE 16 17.439 3.153 7.613 119 2HB PHE 16 2HB PHE 16 16.328 2.058 6.753 120 HD1 PHE 16 HD1 PHE 16 16.882 1.648 10.455 121 HD2 PHE 16 HD2 PHE 16 14.462 3.322 7.343 122 HE1 PHE 16 HE1 PHE 16 15.139 2.063 12.135 123 HE2 PHE 16 HE2 PHE 16 12.699 3.756 8.976 124 HZ PHE 16 HZ PHE 16 13.022 3.120 11.399 125 H GLU 17 H GLU 17 18.723 0.960 10.376 126 HA GLU 17 HA GLU 17 20.767 2.956 10.023 127 1HB GLU 17 1HB GLU 17 20.079 1.115 12.310 128 2HB GLU 17 2HB GLU 17 21.449 2.212 12.359 129 1HG GLU 17 1HG GLU 17 19.990 4.161 12.275 130 2HG GLU 17 2HG GLU 17 18.647 3.239 11.618 131 H GLU 18 H GLU 18 20.565 -0.591 10.467 132 HA GLU 18 HA GLU 18 23.411 -1.056 10.552 133 1HB GLU 18 1HB GLU 18 21.108 -2.523 11.045 134 2HB GLU 18 2HB GLU 18 21.971 -3.345 9.707 135 1HG GLU 18 1HG GLU 18 22.984 -4.289 11.638 136 2HG GLU 18 2HG GLU 18 24.131 -3.017 11.268 137 H TYR 19 H TYR 19 21.028 -0.698 8.071 138 HA TYR 19 HA TYR 19 22.411 -1.958 5.851 139 1HB TYR 19 1HB TYR 19 19.948 -1.456 6.054 140 2HB TYR 19 2HB TYR 19 20.355 0.278 5.944 141 HD1 TYR 19 HD1 TYR 19 22.032 -2.504 3.986 142 HD2 TYR 19 HD2 TYR 19 19.151 0.767 3.851 143 HE1 TYR 19 HE1 TYR 19 21.925 -2.672 1.515 144 HE2 TYR 19 HE2 TYR 19 19.088 0.564 1.423 145 HH TYR 19 HH TYR 19 19.440 -1.221 -0.233 146 H LEU 20 H LEU 20 21.993 1.517 6.706 147 HA LEU 20 HA LEU 20 23.944 2.465 4.761 148 1HB LEU 20 1HB LEU 20 24.113 4.500 6.266 149 2HB LEU 20 2HB LEU 20 22.762 4.273 5.236 150 HG LEU 20 HG LEU 20 21.952 3.161 7.760 151 1HD1 LEU 20 1HD1 LEU 20 23.876 5.493 8.055 152 2HD1 LEU 20 2HD1 LEU 20 23.746 3.968 8.973 153 3HD1 LEU 20 3HD1 LEU 20 22.524 5.225 9.187 154 1HD2 LEU 20 1HD2 LEU 20 21.383 6.059 6.850 155 2HD2 LEU 20 2HD2 LEU 20 20.356 4.919 7.773 156 3HD2 LEU 20 3HD2 LEU 20 20.667 4.661 6.044 157 H ARG 21 H ARG 21 24.160 1.166 7.977 158 HA ARG 21 HA ARG 21 26.780 2.303 8.629 159 1HB ARG 21 1HB ARG 21 25.211 1.736 10.371 160 2HB ARG 21 2HB ARG 21 25.036 0.077 9.837 161 1HG ARG 21 1HG ARG 21 27.584 -0.233 10.303 162 2HG ARG 21 2HG ARG 21 27.604 1.367 11.024 163 1HD ARG 21 1HD ARG 21 25.423 -0.451 12.035 164 2HD ARG 21 2HD ARG 21 27.075 -0.850 12.520 165 HE ARG 21 HE ARG 21 25.687 1.728 13.002 166 1HH1 ARG 21 1HH1 ARG 21 28.269 -0.483 14.073 167 2HH1 ARG 21 2HH1 ARG 21 28.592 0.459 15.485 168 1HH2 ARG 21 1HH2 ARG 21 26.174 2.882 14.871 169 2HH2 ARG 21 2HH2 ARG 21 27.451 2.249 15.880 170 H ALA 22 H ALA 22 25.402 -0.594 7.123 171 HA ALA 22 HA ALA 22 27.724 -2.196 7.038 172 1HB ALA 22 1HB ALA 22 25.346 -2.234 5.154 173 2HB ALA 22 2HB ALA 22 25.375 -3.055 6.727 174 3HB ALA 22 3HB ALA 22 26.531 -3.544 5.423 175 H LEU 23 H LEU 23 26.348 0.127 4.714 176 HA LEU 23 HA LEU 23 28.278 -0.289 2.590 177 1HB LEU 23 1HB LEU 23 26.408 2.004 3.060 178 2HB LEU 23 2HB LEU 23 27.207 1.626 1.573 179 HG LEU 23 HG LEU 23 24.933 0.167 2.874 180 1HD1 LEU 23 1HD1 LEU 23 24.063 1.787 1.560 181 2HD1 LEU 23 2HD1 LEU 23 24.320 0.623 0.239 182 3HD1 LEU 23 3HD1 LEU 23 25.473 1.973 0.538 183 1HD2 LEU 23 1HD2 LEU 23 26.823 -1.451 1.879 184 2HD2 LEU 23 2HD2 LEU 23 26.331 -0.888 0.299 185 3HD2 LEU 23 3HD2 LEU 23 25.162 -1.744 1.274 186 H ASP 24 H ASP 24 27.831 1.948 5.274 187 HA ASP 24 HA ASP 24 29.299 3.306 6.418 188 1HB ASP 24 1HB ASP 24 31.355 2.630 4.382 189 2HB ASP 24 2HB ASP 24 31.563 3.674 5.836 190 H VAL 25 H VAL 25 27.322 4.417 4.890 191 HA VAL 25 HA VAL 25 28.386 6.512 3.091 192 HB VAL 25 HB VAL 25 26.074 7.168 2.826 193 1HG1 VAL 25 1HG1 VAL 25 26.861 5.283 1.518 194 2HG1 VAL 25 2HG1 VAL 25 25.137 5.138 1.911 195 3HG1 VAL 25 3HG1 VAL 25 26.284 4.130 2.767 196 1HG2 VAL 25 1HG2 VAL 25 25.666 5.838 5.423 197 2HG2 VAL 25 2HG2 VAL 25 24.517 5.253 4.231 198 3HG2 VAL 25 3HG2 VAL 25 24.648 6.997 4.548 199 H ASN 26 H ASN 26 27.799 8.781 3.604 200 HA ASN 26 HA ASN 26 29.021 10.038 5.694 201 1HB ASN 26 1HB ASN 26 26.445 11.119 4.819 202 2HB ASN 26 2HB ASN 26 27.889 11.947 5.376 203 1HD2 ASN 26 1HD2 ASN 26 26.045 11.558 2.693 204 2HD2 ASN 26 2HD2 ASN 26 27.247 11.556 1.451 205 H VAL 27 H VAL 27 28.682 10.803 7.646 206 HA VAL 27 HA VAL 27 27.062 9.253 9.446 207 HB VAL 27 HB VAL 27 29.062 11.266 9.717 208 1HG1 VAL 27 1HG1 VAL 27 27.200 12.555 10.834 209 2HG1 VAL 27 2HG1 VAL 27 28.383 11.924 12.005 210 3HG1 VAL 27 3HG1 VAL 27 26.794 11.131 11.771 211 1HG2 VAL 27 1HG2 VAL 27 29.159 8.695 10.170 212 2HG2 VAL 27 2HG2 VAL 27 28.090 8.977 11.560 213 3HG2 VAL 27 3HG2 VAL 27 29.713 9.658 11.527 214 H ALA 28 H ALA 28 26.599 12.541 8.021 215 HA ALA 28 HA ALA 28 24.475 13.273 9.802 216 1HB ALA 28 1HB ALA 28 24.930 14.291 6.991 217 2HB ALA 28 2HB ALA 28 25.914 14.832 8.398 218 3HB ALA 28 3HB ALA 28 24.165 15.162 8.319 219 H LEU 29 H LEU 29 24.724 11.265 6.951 220 HA LEU 29 HA LEU 29 22.010 11.576 5.994 221 1HB LEU 29 1HB LEU 29 24.130 10.399 4.912 222 2HB LEU 29 2HB LEU 29 23.419 8.969 5.610 223 HG LEU 29 HG LEU 29 21.486 10.705 4.109 224 1HD1 LEU 29 1HD1 LEU 29 23.741 10.790 2.820 225 2HD1 LEU 29 2HD1 LEU 29 22.308 10.305 1.910 226 3HD1 LEU 29 3HD1 LEU 29 23.472 9.059 2.460 227 1HD2 LEU 29 1HD2 LEU 29 22.155 7.751 4.380 228 2HD2 LEU 29 2HD2 LEU 29 21.003 8.333 3.137 229 3HD2 LEU 29 3HD2 LEU 29 20.666 8.616 4.827 230 H ARG 30 H ARG 30 23.536 9.231 8.247 231 HA ARG 30 HA ARG 30 21.475 7.376 8.671 232 1HB ARG 30 1HB ARG 30 23.652 6.971 9.400 233 2HB ARG 30 2HB ARG 30 23.716 8.482 10.332 234 1HG ARG 30 1HG ARG 30 21.614 7.200 11.608 235 2HG ARG 30 2HG ARG 30 22.564 5.813 11.132 236 1HD ARG 30 1HD ARG 30 23.195 6.617 13.347 237 2HD ARG 30 2HD ARG 30 24.540 6.637 12.254 238 HE ARG 30 HE ARG 30 23.063 9.185 12.556 239 1HH1 ARG 30 1HH1 ARG 30 25.740 7.202 13.664 240 2HH1 ARG 30 2HH1 ARG 30 26.583 8.510 14.377 241 1HH2 ARG 30 1HH2 ARG 30 24.184 10.946 13.520 242 2HH2 ARG 30 2HH2 ARG 30 25.681 10.685 14.322 243 H LYS 31 H LYS 31 22.065 10.533 10.093 244 HA LYS 31 HA LYS 31 20.168 10.363 12.203 245 1HB LYS 31 1HB LYS 31 22.236 11.985 11.552 246 2HB LYS 31 2HB LYS 31 20.860 13.026 11.085 247 1HG LYS 31 1HG LYS 31 20.857 11.656 13.768 248 2HG LYS 31 2HG LYS 31 21.831 13.134 13.566 249 1HD LYS 31 1HD LYS 31 19.892 14.363 12.793 250 2HD LYS 31 2HD LYS 31 18.871 12.898 12.845 251 1HE LYS 31 1HE LYS 31 18.460 14.168 14.890 252 2HE LYS 31 2HE LYS 31 19.392 12.712 15.342 253 1HZ LYS 31 1HZ LYS 31 20.661 15.375 14.858 254 2HZ LYS 31 2HZ LYS 31 21.347 13.963 15.533 255 3HZ LYS 31 3HZ LYS 31 20.134 14.778 16.369 256 H ILE 32 H ILE 32 20.119 11.544 8.879 257 HA ILE 32 HA ILE 32 17.509 12.754 8.970 258 HB ILE 32 HB ILE 32 19.185 11.820 6.624 259 1HG1 ILE 32 1HG1 ILE 32 18.857 14.644 7.774 260 2HG1 ILE 32 2HG1 ILE 32 20.137 13.570 8.174 261 1HG2 ILE 32 1HG2 ILE 32 16.650 12.119 6.225 262 2HG2 ILE 32 2HG2 ILE 32 17.564 13.299 5.263 263 3HG2 ILE 32 3HG2 ILE 32 16.814 13.810 6.767 264 1HD1 ILE 32 1HD1 ILE 32 19.521 14.472 5.301 265 2HD1 ILE 32 2HD1 ILE 32 20.919 13.475 5.797 266 3HD1 ILE 32 3HD1 ILE 32 20.778 15.185 6.290 267 H ALA 33 H ALA 33 18.896 9.863 7.302 268 HA ALA 33 HA ALA 33 16.697 8.620 6.188 269 1HB ALA 33 1HB ALA 33 18.410 7.521 5.600 270 2HB ALA 33 2HB ALA 33 18.145 6.495 7.061 271 3HB ALA 33 3HB ALA 33 19.355 7.814 7.051 272 H ASN 34 H ASN 34 17.673 8.529 9.606 273 HA ASN 34 HA ASN 34 16.023 6.289 10.319 274 1HB ASN 34 1HB ASN 34 17.712 6.661 11.776 275 2HB ASN 34 2HB ASN 34 17.420 8.391 11.943 276 1HD2 ASN 34 1HD2 ASN 34 16.616 8.893 13.894 277 2HD2 ASN 34 2HD2 ASN 34 15.498 7.981 14.869 278 H LEU 35 H LEU 35 15.342 9.567 9.606 279 HA LEU 35 HA LEU 35 12.689 9.321 11.010 280 1HB LEU 35 1HB LEU 35 14.061 11.745 9.971 281 2HB LEU 35 2HB LEU 35 12.426 11.729 10.700 282 HG LEU 35 HG LEU 35 15.060 11.156 12.025 283 1HD1 LEU 35 1HD1 LEU 35 14.323 13.515 11.765 284 2HD1 LEU 35 2HD1 LEU 35 14.468 12.989 13.470 285 3HD1 LEU 35 3HD1 LEU 35 12.870 13.156 12.683 286 1HD2 LEU 35 1HD2 LEU 35 13.239 10.969 14.149 287 2HD2 LEU 35 2HD2 LEU 35 13.744 9.565 13.250 288 3HD2 LEU 35 3HD2 LEU 35 12.211 10.363 12.820 289 H LEU 36 H LEU 36 14.026 8.973 7.867 290 HA LEU 36 HA LEU 36 11.577 9.960 6.448 291 1HB LEU 36 1HB LEU 36 14.218 8.878 5.569 292 2HB LEU 36 2HB LEU 36 12.952 8.803 4.484 293 HG LEU 36 HG LEU 36 14.689 10.893 4.639 294 1HD1 LEU 36 1HD1 LEU 36 11.866 10.684 3.457 295 2HD1 LEU 36 2HD1 LEU 36 13.453 10.618 2.625 296 3HD1 LEU 36 3HD1 LEU 36 12.843 12.127 3.308 297 1HD2 LEU 36 1HD2 LEU 36 13.376 12.883 5.330 298 2HD2 LEU 36 2HD2 LEU 36 13.730 11.901 6.736 299 3HD2 LEU 36 3HD2 LEU 36 12.097 11.872 5.980 300 H LYS 37 H LYS 37 10.416 8.759 5.049 301 HA LYS 37 HA LYS 37 10.512 5.772 5.058 302 1HB LYS 37 1HB LYS 37 8.068 7.490 5.560 303 2HB LYS 37 2HB LYS 37 8.058 5.744 5.322 304 1HG LYS 37 1HG LYS 37 9.836 6.273 7.544 305 2HG LYS 37 2HG LYS 37 8.427 7.316 7.791 306 1HD LYS 37 1HD LYS 37 8.402 4.297 7.390 307 2HD LYS 37 2HD LYS 37 8.054 5.174 8.908 308 1HE LYS 37 1HE LYS 37 6.223 6.346 7.228 309 2HE LYS 37 2HE LYS 37 6.342 4.740 6.454 310 1HZ LYS 37 1HZ LYS 37 4.768 5.434 8.491 311 2HZ LYS 37 2HZ LYS 37 5.991 4.610 9.337 312 3HZ LYS 37 3HZ LYS 37 5.138 3.875 8.054 313 HA PRO 38 HA PRO 38 10.226 7.680 0.837 314 1HB PRO 38 1HB PRO 38 11.251 5.017 0.032 315 2HB PRO 38 2HB PRO 38 11.912 6.629 -0.337 316 1HG PRO 38 1HG PRO 38 13.172 5.023 1.376 317 2HG PRO 38 2HG PRO 38 13.007 6.751 1.759 318 1HD PRO 38 1HD PRO 38 11.195 4.402 2.652 319 2HD PRO 38 2HD PRO 38 11.966 5.623 3.698 320 H ASP 39 H ASP 39 9.384 7.085 -1.190 321 HA ASP 39 HA ASP 39 6.990 5.289 -1.050 322 1HB ASP 39 1HB ASP 39 6.021 6.973 -2.691 323 2HB ASP 39 2HB ASP 39 6.144 7.397 -0.961 324 H LYS 40 H LYS 40 6.456 4.649 -3.432 325 HA LYS 40 HA LYS 40 8.764 4.976 -5.264 326 1HB LYS 40 1HB LYS 40 8.691 2.826 -3.549 327 2HB LYS 40 2HB LYS 40 8.024 2.095 -5.004 328 1HG LYS 40 1HG LYS 40 10.186 3.360 -6.088 329 2HG LYS 40 2HG LYS 40 10.732 3.252 -4.393 330 1HD LYS 40 1HD LYS 40 9.543 0.754 -5.481 331 2HD LYS 40 2HD LYS 40 10.984 1.307 -6.358 332 1HE LYS 40 1HE LYS 40 12.405 0.939 -4.586 333 2HE LYS 40 2HE LYS 40 11.216 1.421 -3.378 334 1HZ LYS 40 1HZ LYS 40 10.142 -0.910 -4.087 335 2HZ LYS 40 2HZ LYS 40 11.305 -0.710 -2.884 336 3HZ LYS 40 3HZ LYS 40 11.768 -1.252 -4.398 337 H GLU 41 H GLU 41 7.303 5.961 -6.632 338 HA GLU 41 HA GLU 41 4.962 4.451 -7.617 339 1HB GLU 41 1HB GLU 41 5.232 7.121 -7.321 340 2HB GLU 41 2HB GLU 41 5.925 6.999 -8.962 341 1HG GLU 41 1HG GLU 41 3.886 5.779 -9.729 342 2HG GLU 41 2HG GLU 41 3.176 5.986 -8.143 343 H ILE 42 H ILE 42 5.516 2.784 -8.737 344 HA ILE 42 HA ILE 42 7.823 2.772 -10.625 345 HB ILE 42 HB ILE 42 6.010 0.779 -9.306 346 1HG1 ILE 42 1HG1 ILE 42 8.972 1.326 -9.451 347 2HG1 ILE 42 2HG1 ILE 42 7.899 1.518 -8.083 348 1HG2 ILE 42 1HG2 ILE 42 6.374 0.254 -11.945 349 2HG2 ILE 42 2HG2 ILE 42 6.842 -1.021 -10.805 350 3HG2 ILE 42 3HG2 ILE 42 8.074 0.017 -11.509 351 1HD1 ILE 42 1HD1 ILE 42 9.378 -0.888 -8.951 352 2HD1 ILE 42 2HD1 ILE 42 7.664 -1.197 -8.808 353 3HD1 ILE 42 3HD1 ILE 42 8.518 -0.596 -7.398 354 H VAL 43 H VAL 43 7.592 2.481 -12.828 355 HA VAL 43 HA VAL 43 4.939 2.210 -14.053 356 HB VAL 43 HB VAL 43 6.433 4.316 -15.383 357 1HG1 VAL 43 1HG1 VAL 43 3.867 3.466 -15.378 358 2HG1 VAL 43 2HG1 VAL 43 4.257 5.111 -15.888 359 3HG1 VAL 43 3HG1 VAL 43 3.640 4.849 -14.274 360 1HG2 VAL 43 1HG2 VAL 43 6.156 6.192 -13.732 361 2HG2 VAL 43 2HG2 VAL 43 6.929 4.910 -12.818 362 3HG2 VAL 43 3HG2 VAL 43 5.165 5.151 -12.679 363 H GLN 44 H GLN 44 5.149 0.842 -15.573 364 HA GLN 44 HA GLN 44 7.791 0.465 -16.911 365 1HB GLN 44 1HB GLN 44 6.903 -1.794 -17.543 366 2HB GLN 44 2HB GLN 44 7.453 -1.591 -15.876 367 1HG GLN 44 1HG GLN 44 5.508 -2.121 -14.988 368 2HG GLN 44 2HG GLN 44 4.566 -1.043 -16.048 369 1HE2 GLN 44 1HE2 GLN 44 3.107 -3.150 -15.685 370 2HE2 GLN 44 2HE2 GLN 44 3.296 -4.357 -16.928 371 H ASP 45 H ASP 45 7.803 0.139 -19.183 372 HA ASP 45 HA ASP 45 5.225 0.553 -20.682 373 1HB ASP 45 1HB ASP 45 6.909 2.639 -20.363 374 2HB ASP 45 2HB ASP 45 7.797 1.781 -21.640 375 H GLY 46 H GLY 46 5.484 -1.774 -20.566 376 1HA GLY 46 1HA GLY 46 5.738 -3.608 -22.021 377 2HA GLY 46 2HA GLY 46 6.995 -2.693 -22.990 378 H ASP 47 H ASP 47 9.035 -3.347 -22.746 379 HA ASP 47 HA ASP 47 9.635 -5.127 -20.394 380 1HB ASP 47 1HB ASP 47 11.883 -5.327 -21.534 381 2HB ASP 47 2HB ASP 47 10.465 -6.115 -22.220 382 H HIS 48 H HIS 48 9.873 -1.848 -21.388 383 HA HIS 48 HA HIS 48 12.267 -1.124 -19.834 384 1HB HIS 48 1HB HIS 48 11.728 0.037 -21.835 385 2HB HIS 48 2HB HIS 48 10.125 0.490 -21.258 386 HD1 HIS 48 HD1 HIS 48 9.953 2.611 -20.039 387 HD2 HIS 48 HD2 HIS 48 13.961 1.437 -20.170 388 HE1 HIS 48 HE1 HIS 48 11.346 4.560 -19.033 389 HE2 HIS 48 HE2 HIS 48 13.760 3.791 -19.157 390 H MET 49 H MET 49 12.256 -0.313 -17.805 391 HA MET 49 HA MET 49 9.641 0.144 -16.405 392 1HB MET 49 1HB MET 49 10.803 -2.153 -16.078 393 2HB MET 49 2HB MET 49 11.937 -1.213 -15.101 394 1HG MET 49 1HG MET 49 10.298 -0.537 -13.534 395 2HG MET 49 2HG MET 49 8.932 -1.061 -14.557 396 1HE MET 49 1HE MET 49 8.241 -4.056 -12.354 397 2HE MET 49 2HE MET 49 7.733 -3.521 -14.006 398 3HE MET 49 3HE MET 49 7.913 -2.349 -12.679 399 H ILE 50 H ILE 50 9.688 1.816 -14.926 400 HA ILE 50 HA ILE 50 12.346 3.193 -14.415 401 HB ILE 50 HB ILE 50 9.635 4.573 -14.589 402 1HG1 ILE 50 1HG1 ILE 50 11.701 4.804 -16.805 403 2HG1 ILE 50 2HG1 ILE 50 10.586 3.467 -16.854 404 1HG2 ILE 50 1HG2 ILE 50 12.423 5.873 -14.978 405 2HG2 ILE 50 2HG2 ILE 50 11.804 5.463 -13.381 406 3HG2 ILE 50 3HG2 ILE 50 10.897 6.602 -14.435 407 1HD1 ILE 50 1HD1 ILE 50 8.874 4.699 -17.631 408 2HD1 ILE 50 2HD1 ILE 50 10.078 5.988 -17.896 409 3HD1 ILE 50 3HD1 ILE 50 9.094 5.986 -16.428 410 H ILE 51 H ILE 51 12.735 3.281 -12.311 411 HA ILE 51 HA ILE 51 10.529 2.865 -10.331 412 HB ILE 51 HB ILE 51 13.559 2.402 -10.380 413 1HG1 ILE 51 1HG1 ILE 51 13.201 0.194 -10.108 414 2HG1 ILE 51 2HG1 ILE 51 11.749 0.425 -9.163 415 1HG2 ILE 51 1HG2 ILE 51 12.977 1.678 -7.805 416 2HG2 ILE 51 2HG2 ILE 51 11.632 2.807 -7.970 417 3HG2 ILE 51 3HG2 ILE 51 13.324 3.356 -8.134 418 1HD1 ILE 51 1HD1 ILE 51 11.047 -0.511 -11.297 419 2HD1 ILE 51 2HD1 ILE 51 11.923 0.727 -12.244 420 3HD1 ILE 51 3HD1 ILE 51 10.481 1.155 -11.332 421 H ARG 52 H ARG 52 9.804 4.914 -10.024 422 HA ARG 52 HA ARG 52 11.845 7.058 -9.654 423 1HB ARG 52 1HB ARG 52 9.321 7.052 -10.785 424 2HB ARG 52 2HB ARG 52 9.058 7.874 -9.248 425 1HG ARG 52 1HG ARG 52 11.424 9.059 -9.930 426 2HG ARG 52 2HG ARG 52 10.746 8.771 -11.539 427 1HD ARG 52 1HD ARG 52 8.522 9.803 -10.422 428 2HD ARG 52 2HD ARG 52 9.656 10.408 -9.223 429 HE ARG 52 HE ARG 52 10.909 11.207 -11.544 430 1HH1 ARG 52 1HH1 ARG 52 7.421 11.451 -10.585 431 2HH1 ARG 52 2HH1 ARG 52 7.297 12.869 -11.592 432 1HH2 ARG 52 1HH2 ARG 52 10.509 13.010 -12.772 433 2HH2 ARG 52 2HH2 ARG 52 8.921 13.730 -12.770 434 H THR 53 H THR 53 12.509 7.749 -7.761 435 HA THR 53 HA THR 53 11.128 6.840 -5.267 436 HB THR 53 HB THR 53 13.960 7.888 -5.867 437 HG1 THR 53 HG1 THR 53 13.920 6.018 -6.696 438 1HG2 THR 53 1HG2 THR 53 12.754 6.457 -3.365 439 2HG2 THR 53 2HG2 THR 53 13.000 8.201 -3.411 440 3HG2 THR 53 3HG2 THR 53 14.413 7.132 -3.439 441 H LEU 54 H LEU 54 10.000 8.382 -4.411 442 HA LEU 54 HA LEU 54 10.145 11.245 -5.217 443 1HB LEU 54 1HB LEU 54 8.117 9.435 -4.284 444 2HB LEU 54 2HB LEU 54 7.957 11.178 -4.028 445 HG LEU 54 HG LEU 54 8.751 11.204 -6.617 446 1HD1 LEU 54 1HD1 LEU 54 7.470 9.073 -7.614 447 2HD1 LEU 54 2HD1 LEU 54 7.750 8.364 -6.001 448 3HD1 LEU 54 3HD1 LEU 54 9.114 8.855 -7.016 449 1HD2 LEU 54 1HD2 LEU 54 5.863 10.404 -5.833 450 2HD2 LEU 54 2HD2 LEU 54 6.374 11.282 -7.250 451 3HD2 LEU 54 3HD2 LEU 54 6.503 12.026 -5.628 452 H SER 55 H SER 55 12.168 10.857 -3.458 453 HA SER 55 HA SER 55 11.374 11.387 -0.700 454 1HB SER 55 1HB SER 55 13.521 10.163 -0.872 455 2HB SER 55 2HB SER 55 13.977 11.167 -2.283 456 HG SER 55 HG SER 55 14.166 11.766 0.411 457 H THR 56 H THR 56 12.592 13.398 0.279 458 HA THR 56 HA THR 56 11.898 15.692 -1.528 459 HB THR 56 HB THR 56 10.613 15.656 0.511 460 HG1 THR 56 HG1 THR 56 10.921 17.694 0.099 461 1HG2 THR 56 1HG2 THR 56 12.274 14.436 2.075 462 2HG2 THR 56 2HG2 THR 56 11.737 15.988 2.727 463 3HG2 THR 56 3HG2 THR 56 13.346 15.861 2.029 464 H PHE 57 H PHE 57 14.345 14.368 0.747 465 HA PHE 57 HA PHE 57 16.171 16.584 0.437 466 1HB PHE 57 1HB PHE 57 16.586 13.662 1.330 467 2HB PHE 57 2HB PHE 57 17.885 14.829 1.275 468 HD1 PHE 57 HD1 PHE 57 14.488 14.320 2.845 469 HD2 PHE 57 HD2 PHE 57 18.295 16.336 3.093 470 HE1 PHE 57 HE1 PHE 57 13.938 15.207 5.122 471 HE2 PHE 57 HE2 PHE 57 17.763 17.206 5.307 472 HZ PHE 57 HZ PHE 57 15.537 16.629 6.337 473 H ARG 58 H ARG 58 15.303 13.711 -1.396 474 HA ARG 58 HA ARG 58 17.359 14.478 -3.416 475 1HB ARG 58 1HB ARG 58 18.576 12.546 -3.393 476 2HB ARG 58 2HB ARG 58 18.298 12.914 -1.672 477 1HG ARG 58 1HG ARG 58 16.552 11.259 -1.546 478 2HG ARG 58 2HG ARG 58 16.714 10.901 -3.306 479 1HD ARG 58 1HD ARG 58 19.242 10.383 -2.619 480 2HD ARG 58 2HD ARG 58 18.648 10.357 -0.974 481 HE ARG 58 HE ARG 58 17.847 8.507 -3.148 482 1HH1 ARG 58 1HH1 ARG 58 17.574 9.281 0.256 483 2HH1 ARG 58 2HH1 ARG 58 16.883 7.705 0.652 484 1HH2 ARG 58 1HH2 ARG 58 17.018 6.563 -2.674 485 2HH2 ARG 58 2HH2 ARG 58 16.572 6.161 -1.047 486 H ASN 59 H ASN 59 17.211 12.453 -5.103 487 HA ASN 59 HA ASN 59 14.680 11.241 -5.664 488 1HB ASN 59 1HB ASN 59 14.500 12.936 -7.791 489 2HB ASN 59 2HB ASN 59 13.540 13.096 -6.307 490 1HD2 ASN 59 1HD2 ASN 59 13.682 14.859 -5.039 491 2HD2 ASN 59 2HD2 ASN 59 14.814 16.130 -5.245 492 H TYR 60 H TYR 60 16.351 9.655 -6.032 493 HA TYR 60 HA TYR 60 17.919 10.134 -8.498 494 1HB TYR 60 1HB TYR 60 19.412 8.499 -7.957 495 2HB TYR 60 2HB TYR 60 18.917 9.092 -6.327 496 HD1 TYR 60 HD1 TYR 60 19.979 6.356 -7.641 497 HD2 TYR 60 HD2 TYR 60 16.245 7.545 -5.886 498 HE1 TYR 60 HE1 TYR 60 19.501 4.057 -7.061 499 HE2 TYR 60 HE2 TYR 60 15.790 5.230 -5.314 500 HH TYR 60 HH TYR 60 17.872 2.660 -6.477 501 H ILE 61 H ILE 61 17.348 9.351 -10.361 502 HA ILE 61 HA ILE 61 14.923 7.548 -10.485 503 HB ILE 61 HB ILE 61 16.020 9.254 -12.734 504 1HG1 ILE 61 1HG1 ILE 61 15.534 10.833 -11.009 505 2HG1 ILE 61 2HG1 ILE 61 14.280 10.943 -12.212 506 1HG2 ILE 61 1HG2 ILE 61 13.734 8.942 -13.637 507 2HG2 ILE 61 2HG2 ILE 61 13.300 7.908 -12.294 508 3HG2 ILE 61 3HG2 ILE 61 14.581 7.384 -13.404 509 1HD1 ILE 61 1HD1 ILE 61 13.294 8.982 -10.240 510 2HD1 ILE 61 2HD1 ILE 61 12.689 10.603 -10.507 511 3HD1 ILE 61 3HD1 ILE 61 14.022 10.357 -9.349 512 H MET 62 H MET 62 14.952 5.763 -11.463 513 HA MET 62 HA MET 62 17.440 4.774 -12.730 514 1HB MET 62 1HB MET 62 15.153 3.148 -11.437 515 2HB MET 62 2HB MET 62 16.646 2.478 -12.068 516 1HG MET 62 1HG MET 62 17.688 4.250 -10.285 517 2HG MET 62 2HG MET 62 16.109 4.013 -9.545 518 1HE MET 62 1HE MET 62 14.988 1.781 -9.214 519 2HE MET 62 2HE MET 62 15.920 1.662 -7.687 520 3HE MET 62 3HE MET 62 15.879 0.274 -8.773 521 H ASP 63 H ASP 63 17.083 3.109 -14.362 522 HA ASP 63 HA ASP 63 14.550 3.295 -15.832 523 1HB ASP 63 1HB ASP 63 15.963 3.608 -17.975 524 2HB ASP 63 2HB ASP 63 15.681 5.050 -16.978 525 H PHE 64 H PHE 64 14.535 1.252 -14.819 526 HA PHE 64 HA PHE 64 16.600 -0.795 -15.358 527 1HB PHE 64 1HB PHE 64 14.080 -0.434 -13.883 528 2HB PHE 64 2HB PHE 64 14.406 -2.094 -14.451 529 HD1 PHE 64 HD1 PHE 64 14.538 -2.844 -12.054 530 HD2 PHE 64 HD2 PHE 64 17.228 0.120 -13.638 531 HE1 PHE 64 HE1 PHE 64 16.089 -3.158 -10.107 532 HE2 PHE 64 HE2 PHE 64 18.752 -0.206 -11.688 533 HZ PHE 64 HZ PHE 64 18.193 -1.814 -9.951 534 H GLN 65 H GLN 65 16.718 -2.014 -17.043 535 HA GLN 65 HA GLN 65 14.341 -2.507 -18.732 536 1HB GLN 65 1HB GLN 65 16.546 -1.558 -19.683 537 2HB GLN 65 2HB GLN 65 17.320 -3.085 -19.263 538 1HG GLN 65 1HG GLN 65 16.180 -4.264 -21.014 539 2HG GLN 65 2HG GLN 65 14.823 -3.123 -21.047 540 1HE2 GLN 65 1HE2 GLN 65 15.192 -3.169 -23.396 541 2HE2 GLN 65 2HE2 GLN 65 16.378 -2.105 -24.070 542 H VAL 66 H VAL 66 13.720 -4.615 -19.038 543 HA VAL 66 HA VAL 66 14.821 -6.541 -17.126 544 HB VAL 66 HB VAL 66 12.252 -5.951 -17.605 545 1HG1 VAL 66 1HG1 VAL 66 11.142 -7.761 -18.876 546 2HG1 VAL 66 2HG1 VAL 66 12.710 -8.389 -19.438 547 3HG1 VAL 66 3HG1 VAL 66 12.172 -6.754 -19.882 548 1HG2 VAL 66 1HG2 VAL 66 12.378 -7.290 -15.749 549 2HG2 VAL 66 2HG2 VAL 66 13.747 -8.213 -16.424 550 3HG2 VAL 66 3HG2 VAL 66 12.109 -8.669 -16.857 551 H GLY 67 H GLY 67 16.262 -8.060 -17.835 552 1HA GLY 67 1HA GLY 67 16.873 -9.844 -19.267 553 2HA GLY 67 2HA GLY 67 16.093 -9.114 -20.614 554 H LYS 68 H LYS 68 17.526 -6.444 -19.469 555 HA LYS 68 HA LYS 68 19.925 -6.850 -21.182 556 1HB LYS 68 1HB LYS 68 18.078 -5.097 -21.543 557 2HB LYS 68 2HB LYS 68 18.972 -4.178 -20.318 558 1HG LYS 68 1HG LYS 68 20.096 -3.380 -22.041 559 2HG LYS 68 2HG LYS 68 21.004 -4.928 -21.960 560 1HD LYS 68 1HD LYS 68 18.468 -5.234 -23.469 561 2HD LYS 68 2HD LYS 68 19.488 -4.014 -24.197 562 1HE LYS 68 1HE LYS 68 20.923 -6.546 -23.352 563 2HE LYS 68 2HE LYS 68 19.662 -6.719 -24.576 564 1HZ LYS 68 1HZ LYS 68 21.042 -4.669 -25.615 565 2HZ LYS 68 2HZ LYS 68 21.498 -6.286 -25.804 566 3HZ LYS 68 3HZ LYS 68 22.239 -5.332 -24.616 567 H GLU 69 H GLU 69 22.068 -6.477 -20.404 568 HA GLU 69 HA GLU 69 22.338 -6.213 -17.491 569 1HB GLU 69 1HB GLU 69 23.703 -7.686 -18.782 570 2HB GLU 69 2HB GLU 69 24.486 -6.301 -19.609 571 1HG GLU 69 1HG GLU 69 25.079 -5.478 -17.214 572 2HG GLU 69 2HG GLU 69 24.622 -7.074 -16.668 573 H PHE 70 H PHE 70 22.885 -4.392 -16.352 574 HA PHE 70 HA PHE 70 23.248 -1.860 -17.895 575 1HB PHE 70 1HB PHE 70 21.597 -2.630 -15.579 576 2HB PHE 70 2HB PHE 70 22.507 -1.172 -15.318 577 HD1 PHE 70 HD1 PHE 70 21.115 0.767 -15.847 578 HD2 PHE 70 HD2 PHE 70 20.829 -2.790 -18.266 579 HE1 PHE 70 HE1 PHE 70 19.468 1.879 -17.249 580 HE2 PHE 70 HE2 PHE 70 19.175 -1.696 -19.700 581 HZ PHE 70 HZ PHE 70 18.447 0.638 -19.233 582 H GLU 71 H GLU 71 24.529 -0.226 -16.588 583 HA GLU 71 HA GLU 71 26.544 -1.446 -14.791 584 1HB GLU 71 1HB GLU 71 27.468 -1.478 -17.012 585 2HB GLU 71 2HB GLU 71 27.176 0.255 -17.206 586 1HG GLU 71 1HG GLU 71 28.867 0.849 -15.650 587 2HG GLU 71 2HG GLU 71 28.735 -0.662 -14.780 588 H GLU 72 H GLU 72 25.208 -0.373 -13.130 589 HA GLU 72 HA GLU 72 24.649 2.427 -13.277 590 1HB GLU 72 1HB GLU 72 24.432 0.211 -11.349 591 2HB GLU 72 2HB GLU 72 24.357 1.847 -10.677 592 1HG GLU 72 1HG GLU 72 22.366 2.433 -11.913 593 2HG GLU 72 2HG GLU 72 22.591 1.079 -13.004 594 H ASP 73 H ASP 73 25.645 4.156 -12.583 595 HA ASP 73 HA ASP 73 28.330 3.814 -11.287 596 1HB ASP 73 1HB ASP 73 27.909 5.231 -13.478 597 2HB ASP 73 2HB ASP 73 27.323 6.466 -12.367 598 H LEU 74 H LEU 74 24.995 4.632 -10.805 599 HA LEU 74 HA LEU 74 23.841 5.505 -9.013 600 1HB LEU 74 1HB LEU 74 26.205 4.257 -7.874 601 2HB LEU 74 2HB LEU 74 25.653 5.591 -6.907 602 HG LEU 74 HG LEU 74 23.441 4.646 -6.644 603 1HD1 LEU 74 1HD1 LEU 74 24.207 3.024 -9.003 604 2HD1 LEU 74 2HD1 LEU 74 22.624 3.719 -8.603 605 3HD1 LEU 74 3HD1 LEU 74 23.169 2.254 -7.772 606 1HD2 LEU 74 1HD2 LEU 74 25.334 3.670 -5.306 607 2HD2 LEU 74 2HD2 LEU 74 25.624 2.427 -6.549 608 3HD2 LEU 74 3HD2 LEU 74 24.127 2.426 -5.584 609 H THR 75 H THR 75 26.934 6.741 -7.889 610 HA THR 75 HA THR 75 27.611 8.973 -7.480 611 HB THR 75 HB THR 75 25.994 9.530 -9.937 612 HG1 THR 75 HG1 THR 75 27.823 7.847 -9.881 613 1HG2 THR 75 1HG2 THR 75 26.817 11.731 -9.113 614 2HG2 THR 75 2HG2 THR 75 28.163 11.223 -10.113 615 3HG2 THR 75 3HG2 THR 75 28.242 11.001 -8.364 616 H GLY 76 H GLY 76 25.832 8.338 -5.741 617 1HA GLY 76 1HA GLY 76 24.493 10.734 -5.037 618 2HA GLY 76 2HA GLY 76 23.331 9.688 -5.918 619 H ILE 77 H ILE 77 23.926 10.516 -3.017 620 HA ILE 77 HA ILE 77 23.483 9.734 -0.939 621 HB ILE 77 HB ILE 77 22.898 6.979 -2.235 622 1HG1 ILE 77 1HG1 ILE 77 20.754 8.921 -1.449 623 2HG1 ILE 77 2HG1 ILE 77 21.533 9.163 -2.995 624 1HG2 ILE 77 1HG2 ILE 77 23.038 6.573 0.098 625 2HG2 ILE 77 2HG2 ILE 77 21.318 6.957 -0.010 626 3HG2 ILE 77 3HG2 ILE 77 22.446 8.179 0.575 627 1HD1 ILE 77 1HD1 ILE 77 20.955 6.411 -3.022 628 2HD1 ILE 77 2HD1 ILE 77 20.023 7.717 -3.836 629 3HD1 ILE 77 3HD1 ILE 77 19.525 7.135 -2.261 630 H ASP 78 H ASP 78 24.950 7.011 -2.810 631 HA ASP 78 HA ASP 78 27.155 7.054 -0.755 632 1HB ASP 78 1HB ASP 78 27.470 4.758 -2.205 633 2HB ASP 78 2HB ASP 78 26.911 4.942 -0.530 634 H ASP 79 H ASP 79 27.084 5.723 -3.970 635 HA ASP 79 HA ASP 79 28.079 6.876 -5.972 636 1HB ASP 79 1HB ASP 79 30.017 7.908 -6.053 637 2HB ASP 79 2HB ASP 79 29.135 8.584 -4.702 638 H ARG 80 H ARG 80 28.020 3.982 -4.839 639 HA ARG 80 HA ARG 80 30.635 2.949 -5.796 640 1HB ARG 80 1HB ARG 80 29.080 2.186 -3.782 641 2HB ARG 80 2HB ARG 80 28.287 1.224 -5.050 642 1HG ARG 80 1HG ARG 80 29.985 -0.293 -5.055 643 2HG ARG 80 2HG ARG 80 31.130 0.983 -5.365 644 1HD ARG 80 1HD ARG 80 30.292 1.126 -2.573 645 2HD ARG 80 2HD ARG 80 30.759 -0.542 -2.940 646 HE ARG 80 HE ARG 80 32.950 0.215 -3.527 647 1HH1 ARG 80 1HH1 ARG 80 30.903 2.899 -2.229 648 2HH1 ARG 80 2HH1 ARG 80 32.330 3.849 -1.905 649 1HH2 ARG 80 1HH2 ARG 80 34.724 1.682 -2.992 650 2HH2 ARG 80 2HH2 ARG 80 34.372 3.222 -2.320 651 H LYS 81 H LYS 81 30.611 1.182 -7.293 652 HA LYS 81 HA LYS 81 28.586 1.469 -9.513 653 1HB LYS 81 1HB LYS 81 31.542 0.745 -9.598 654 2HB LYS 81 2HB LYS 81 30.436 0.458 -10.937 655 1HG LYS 81 1HG LYS 81 30.035 3.125 -10.633 656 2HG LYS 81 2HG LYS 81 31.657 2.987 -9.889 657 1HD LYS 81 1HD LYS 81 32.237 1.541 -12.028 658 2HD LYS 81 2HD LYS 81 30.856 2.371 -12.775 659 1HE LYS 81 1HE LYS 81 31.898 4.567 -12.339 660 2HE LYS 81 2HE LYS 81 33.230 3.783 -11.448 661 1HZ LYS 81 1HZ LYS 81 32.637 3.544 -14.332 662 2HZ LYS 81 2HZ LYS 81 33.803 2.625 -13.576 663 3HZ LYS 81 3HZ LYS 81 33.983 4.311 -13.613 664 H CYS 82 H CYS 82 28.812 -0.623 -10.920 665 HA CYS 82 HA CYS 82 29.376 -3.166 -9.746 666 1HB CYS 82 1HB CYS 82 27.008 -3.945 -9.298 667 2HB CYS 82 2HB CYS 82 27.727 -2.901 -8.095 668 HG CYS 82 HG CYS 82 26.318 -0.939 -8.326 669 H MET 83 H MET 83 28.146 -4.923 -10.811 670 HA MET 83 HA MET 83 27.324 -4.144 -13.579 671 1HB MET 83 1HB MET 83 29.367 -5.301 -13.807 672 2HB MET 83 2HB MET 83 29.028 -6.445 -12.467 673 1HG MET 83 1HG MET 83 27.060 -6.699 -14.583 674 2HG MET 83 2HG MET 83 28.639 -6.706 -15.337 675 1HE MET 83 1HE MET 83 27.647 -10.553 -15.198 676 2HE MET 83 2HE MET 83 28.781 -9.504 -16.141 677 3HE MET 83 3HE MET 83 27.051 -9.036 -15.859 678 H THR 84 H THR 84 25.285 -4.174 -13.495 679 HA THR 84 HA THR 84 23.817 -6.180 -11.800 680 HB THR 84 HB THR 84 23.528 -3.337 -12.420 681 HG1 THR 84 HG1 THR 84 23.752 -3.262 -10.385 682 1HG2 THR 84 1HG2 THR 84 21.257 -4.452 -13.000 683 2HG2 THR 84 2HG2 THR 84 21.248 -3.308 -11.657 684 3HG2 THR 84 3HG2 THR 84 21.240 -5.082 -11.349 685 H THR 85 H THR 85 22.074 -7.128 -12.429 686 HA THR 85 HA THR 85 21.117 -6.832 -15.226 687 HB THR 85 HB THR 85 21.472 -9.595 -13.906 688 HG1 THR 85 HG1 THR 85 23.329 -9.295 -15.716 689 1HG2 THR 85 1HG2 THR 85 20.075 -9.471 -16.012 690 2HG2 THR 85 2HG2 THR 85 21.607 -10.215 -16.452 691 3HG2 THR 85 3HG2 THR 85 21.301 -8.483 -16.832 692 H VAL 86 H VAL 86 19.084 -6.365 -15.028 693 HA VAL 86 HA VAL 86 17.558 -7.299 -12.661 694 HB VAL 86 HB VAL 86 16.534 -5.714 -15.079 695 1HG1 VAL 86 1HG1 VAL 86 15.340 -4.563 -12.932 696 2HG1 VAL 86 2HG1 VAL 86 15.631 -6.213 -12.286 697 3HG1 VAL 86 3HG1 VAL 86 14.694 -6.004 -13.777 698 1HG2 VAL 86 1HG2 VAL 86 18.678 -4.611 -14.245 699 2HG2 VAL 86 2HG2 VAL 86 18.023 -4.582 -12.598 700 3HG2 VAL 86 3HG2 VAL 86 17.279 -3.587 -13.900 701 H SER 87 H SER 87 16.050 -9.001 -12.940 702 HA SER 87 HA SER 87 15.649 -10.065 -15.741 703 1HB SER 87 1HB SER 87 17.424 -11.451 -14.626 704 2HB SER 87 2HB SER 87 16.274 -11.730 -13.299 705 HG SER 87 HG SER 87 16.125 -13.430 -14.661 706 H TRP 88 H TRP 88 14.004 -11.863 -15.605 707 HA TRP 88 HA TRP 88 11.799 -11.117 -13.750 708 1HB TRP 88 1HB TRP 88 11.852 -11.106 -16.719 709 2HB TRP 88 2HB TRP 88 10.689 -12.248 -16.132 710 HD1 TRP 88 HD1 TRP 88 11.289 -8.759 -14.275 711 HE1 TRP 88 HE1 TRP 88 9.059 -7.464 -14.382 712 HE3 TRP 88 HE3 TRP 88 8.511 -11.992 -17.288 713 HZ2 TRP 88 HZ2 TRP 88 6.589 -7.720 -15.503 714 HZ3 TRP 88 HZ3 TRP 88 6.211 -11.319 -17.826 715 HH2 TRP 88 HH2 TRP 88 5.237 -9.209 -16.940 716 H ASP 89 H ASP 89 12.314 -12.764 -12.395 717 HA ASP 89 HA ASP 89 12.657 -15.477 -13.519 718 1HB ASP 89 1HB ASP 89 12.456 -14.494 -10.560 719 2HB ASP 89 2HB ASP 89 12.713 -16.181 -11.063 720 H GLY 90 H GLY 90 10.671 -15.494 -14.499 721 1HA GLY 90 1HA GLY 90 8.348 -16.023 -14.682 722 2HA GLY 90 2HA GLY 90 8.503 -16.551 -12.967 723 H ASP 91 H ASP 91 7.626 -15.340 -11.409 724 HA ASP 91 HA ASP 91 6.609 -12.594 -12.128 725 1HB ASP 91 1HB ASP 91 5.597 -14.623 -10.191 726 2HB ASP 91 2HB ASP 91 4.896 -12.991 -10.494 727 H LYS 92 H LYS 92 9.209 -12.309 -11.374 728 HA LYS 92 HA LYS 92 8.984 -11.112 -8.715 729 1HB LYS 92 1HB LYS 92 10.463 -13.688 -9.264 730 2HB LYS 92 2HB LYS 92 11.279 -12.479 -8.255 731 1HG LYS 92 1HG LYS 92 8.868 -12.400 -7.086 732 2HG LYS 92 2HG LYS 92 8.801 -14.056 -7.705 733 1HD LYS 92 1HD LYS 92 10.938 -12.921 -5.809 734 2HD LYS 92 2HD LYS 92 9.634 -14.049 -5.437 735 1HE LYS 92 1HE LYS 92 10.750 -15.812 -6.544 736 2HE LYS 92 2HE LYS 92 11.564 -14.779 -7.703 737 1HZ LYS 92 1HZ LYS 92 13.058 -14.012 -5.928 738 2HZ LYS 92 2HZ LYS 92 13.055 -15.705 -5.974 739 3HZ LYS 92 3HZ LYS 92 12.173 -14.883 -4.795 740 H LEU 93 H LEU 93 10.293 -9.479 -8.469 741 HA LEU 93 HA LEU 93 12.018 -8.852 -10.833 742 1HB LEU 93 1HB LEU 93 10.266 -7.338 -9.134 743 2HB LEU 93 2HB LEU 93 11.878 -6.751 -8.787 744 HG LEU 93 HG LEU 93 10.915 -6.952 -11.663 745 1HD1 LEU 93 1HD1 LEU 93 10.610 -4.467 -9.978 746 2HD1 LEU 93 2HD1 LEU 93 9.286 -5.677 -10.144 747 3HD1 LEU 93 3HD1 LEU 93 9.919 -4.841 -11.566 748 1HD2 LEU 93 1HD2 LEU 93 12.533 -4.640 -11.148 749 2HD2 LEU 93 2HD2 LEU 93 13.055 -6.132 -11.998 750 3HD2 LEU 93 3HD2 LEU 93 13.353 -5.905 -10.270 751 H GLN 94 H GLN 94 13.813 -10.141 -10.466 752 HA GLN 94 HA GLN 94 15.232 -9.892 -7.847 753 1HB GLN 94 1HB GLN 94 14.766 -11.997 -9.856 754 2HB GLN 94 2HB GLN 94 16.472 -11.806 -9.497 755 1HG GLN 94 1HG GLN 94 16.052 -12.152 -7.107 756 2HG GLN 94 2HG GLN 94 14.307 -12.105 -7.357 757 1HE2 GLN 94 1HE2 GLN 94 13.201 -13.807 -8.504 758 2HE2 GLN 94 2HE2 GLN 94 13.902 -15.406 -8.560 759 H CYS 95 H CYS 95 17.132 -9.052 -7.678 760 HA CYS 95 HA CYS 95 18.692 -8.209 -10.092 761 1HB CYS 95 1HB CYS 95 18.127 -6.356 -7.777 762 2HB CYS 95 2HB CYS 95 18.884 -5.990 -9.335 763 HG CYS 95 HG CYS 95 16.970 -5.636 -10.733 764 H VAL 96 H VAL 96 20.792 -8.659 -9.854 765 HA VAL 96 HA VAL 96 21.905 -8.976 -7.080 766 HB VAL 96 HB VAL 96 22.710 -10.561 -9.553 767 1HG1 VAL 96 1HG1 VAL 96 24.595 -11.247 -8.484 768 2HG1 VAL 96 2HG1 VAL 96 23.778 -11.297 -6.879 769 3HG1 VAL 96 3HG1 VAL 96 24.474 -9.794 -7.491 770 1HG2 VAL 96 1HG2 VAL 96 21.164 -11.113 -6.994 771 2HG2 VAL 96 2HG2 VAL 96 21.954 -12.433 -7.903 772 3HG2 VAL 96 3HG2 VAL 96 20.684 -11.433 -8.647 773 H GLN 97 H GLN 97 23.285 -7.480 -6.569 774 HA GLN 97 HA GLN 97 24.437 -5.746 -8.726 775 1HB GLN 97 1HB GLN 97 23.949 -5.343 -5.764 776 2HB GLN 97 2HB GLN 97 25.015 -4.278 -6.674 777 1HG GLN 97 1HG GLN 97 23.062 -3.758 -8.278 778 2HG GLN 97 2HG GLN 97 22.034 -4.741 -7.284 779 1HE2 GLN 97 1HE2 GLN 97 23.151 -3.991 -4.687 780 2HE2 GLN 97 2HE2 GLN 97 22.752 -2.358 -4.359 781 H LYS 98 H LYS 98 26.475 -6.622 -9.264 782 HA LYS 98 HA LYS 98 28.067 -7.990 -7.172 783 1HB LYS 98 1HB LYS 98 27.816 -8.742 -9.560 784 2HB LYS 98 2HB LYS 98 28.843 -7.420 -10.010 785 1HG LYS 98 1HG LYS 98 30.653 -8.232 -8.558 786 2HG LYS 98 2HG LYS 98 29.573 -9.554 -7.955 787 1HD LYS 98 1HD LYS 98 29.337 -10.432 -10.201 788 2HD LYS 98 2HD LYS 98 30.502 -9.222 -10.840 789 1HE LYS 98 1HE LYS 98 31.997 -10.326 -8.810 790 2HE LYS 98 2HE LYS 98 30.975 -11.739 -9.197 791 1HZ LYS 98 1HZ LYS 98 31.764 -10.869 -11.627 792 2HZ LYS 98 2HZ LYS 98 32.388 -12.137 -10.736 793 3HZ LYS 98 3HZ LYS 98 33.150 -10.626 -10.659 794 H GLY 99 H GLY 99 29.403 -6.900 -5.837 795 1HA GLY 99 1HA GLY 99 31.007 -4.694 -6.982 796 2HA GLY 99 2HA GLY 99 30.000 -4.324 -5.529 797 H GLU 100 H GLU 100 31.889 -3.938 -4.250 798 HA GLU 100 HA GLU 100 34.017 -5.978 -4.075 799 1HB GLU 100 1HB GLU 100 33.870 -3.942 -1.967 800 2HB GLU 100 2HB GLU 100 35.192 -4.609 -2.897 801 1HG GLU 100 1HG GLU 100 34.223 -3.269 -4.906 802 2HG GLU 100 2HG GLU 100 33.131 -2.506 -3.753 803 H LYS 101 H LYS 101 30.918 -5.919 -2.764 804 HA LYS 101 HA LYS 101 31.610 -6.992 -0.115 805 1HB LYS 101 1HB LYS 101 28.863 -6.602 -1.220 806 2HB LYS 101 2HB LYS 101 29.376 -6.627 0.443 807 1HG LYS 101 1HG LYS 101 31.010 -4.608 -0.458 808 2HG LYS 101 2HG LYS 101 29.648 -4.478 -1.624 809 1HD LYS 101 1HD LYS 101 28.089 -4.220 0.254 810 2HD LYS 101 2HD LYS 101 29.436 -4.393 1.427 811 1HE LYS 101 1HE LYS 101 29.171 -2.028 1.275 812 2HE LYS 101 2HE LYS 101 30.487 -2.339 0.094 813 1HZ LYS 101 1HZ LYS 101 29.147 -2.066 -1.622 814 2HZ LYS 101 2HZ LYS 101 28.401 -0.977 -0.573 815 3HZ LYS 101 3HZ LYS 101 27.708 -2.487 -0.791 816 H GLU 102 H GLU 102 29.551 -8.592 0.334 817 HA GLU 102 HA GLU 102 29.734 -10.953 -1.503 818 1HB GLU 102 1HB GLU 102 29.760 -12.417 0.501 819 2HB GLU 102 2HB GLU 102 31.200 -11.439 0.244 820 1HG GLU 102 1HG GLU 102 30.346 -9.798 1.968 821 2HG GLU 102 2HG GLU 102 28.943 -10.881 2.213 822 H GLY 103 H GLY 103 27.532 -8.853 -1.088 823 1HA GLY 103 1HA GLY 103 25.352 -10.654 -1.021 824 2HA GLY 103 2HA GLY 103 25.510 -10.082 0.571 825 H ARG 104 H ARG 104 26.068 -8.083 -2.383 826 HA ARG 104 HA ARG 104 23.841 -6.331 -1.397 827 1HB ARG 104 1HB ARG 104 24.809 -5.202 -3.699 828 2HB ARG 104 2HB ARG 104 25.067 -4.649 -2.061 829 1HG ARG 104 1HG ARG 104 27.099 -6.239 -2.005 830 2HG ARG 104 2HG ARG 104 26.877 -6.467 -3.766 831 1HD ARG 104 1HD ARG 104 27.299 -3.798 -2.288 832 2HD ARG 104 2HD ARG 104 28.510 -4.638 -3.274 833 HE ARG 104 HE ARG 104 26.753 -4.411 -5.177 834 1HH1 ARG 104 1HH1 ARG 104 27.348 -1.961 -2.739 835 2HH1 ARG 104 2HH1 ARG 104 26.886 -0.633 -3.752 836 1HH2 ARG 104 1HH2 ARG 104 26.133 -2.698 -6.499 837 2HH2 ARG 104 2HH2 ARG 104 26.175 -1.063 -5.926 838 H GLY 105 H GLY 105 21.928 -6.118 -2.423 839 1HA GLY 105 1HA GLY 105 21.063 -6.224 -4.970 840 2HA GLY 105 2HA GLY 105 21.406 -7.951 -4.651 841 H TRP 106 H TRP 106 18.845 -6.403 -5.073 842 HA TRP 106 HA TRP 106 17.475 -7.052 -2.449 843 1HB TRP 106 1HB TRP 106 15.990 -5.462 -4.392 844 2HB TRP 106 2HB TRP 106 15.929 -5.434 -2.688 845 HD1 TRP 106 HD1 TRP 106 17.934 -3.944 -1.417 846 HE1 TRP 106 HE1 TRP 106 19.139 -1.825 -2.157 847 HE3 TRP 106 HE3 TRP 106 16.952 -4.249 -6.397 848 HZ2 TRP 106 HZ2 TRP 106 19.664 -0.344 -4.646 849 HZ3 TRP 106 HZ3 TRP 106 17.817 -2.471 -7.920 850 HH2 TRP 106 HH2 TRP 106 19.153 -0.557 -7.043 851 H THR 107 H THR 107 14.983 -7.392 -3.029 852 HA THR 107 HA THR 107 14.573 -8.834 -5.530 853 HB THR 107 HB THR 107 15.110 -10.231 -2.957 854 HG1 THR 107 HG1 THR 107 16.380 -11.108 -4.314 855 1HG2 THR 107 1HG2 THR 107 13.536 -12.151 -3.776 856 2HG2 THR 107 2HG2 THR 107 12.904 -11.004 -5.011 857 3HG2 THR 107 3HG2 THR 107 12.641 -10.707 -3.272 858 H GLN 108 H GLN 108 12.526 -8.376 -6.059 859 HA GLN 108 HA GLN 108 10.661 -7.347 -3.946 860 1HB GLN 108 1HB GLN 108 11.382 -5.827 -5.719 861 2HB GLN 108 2HB GLN 108 11.122 -7.023 -6.930 862 1HG GLN 108 1HG GLN 108 8.994 -6.275 -7.281 863 2HG GLN 108 2HG GLN 108 8.544 -6.585 -5.608 864 1HE2 GLN 108 1HE2 GLN 108 7.574 -4.452 -7.229 865 2HE2 GLN 108 2HE2 GLN 108 8.086 -2.927 -6.602 866 H TRP 109 H TRP 109 8.936 -8.542 -3.536 867 HA TRP 109 HA TRP 109 7.865 -10.426 -5.608 868 1HB TRP 109 1HB TRP 109 8.931 -12.026 -4.377 869 2HB TRP 109 2HB TRP 109 8.883 -11.143 -2.892 870 HD1 TRP 109 HD1 TRP 109 6.428 -11.352 -1.429 871 HE1 TRP 109 HE1 TRP 109 4.581 -13.091 -1.518 872 HE3 TRP 109 HE3 TRP 109 7.626 -13.610 -5.950 873 HZ2 TRP 109 HZ2 TRP 109 3.706 -15.160 -3.252 874 HZ3 TRP 109 HZ3 TRP 109 6.218 -15.421 -6.688 875 HH2 TRP 109 HH2 TRP 109 4.249 -16.201 -5.355 876 H ILE 110 H ILE 110 5.581 -10.639 -5.522 877 HA ILE 110 HA ILE 110 4.321 -8.549 -3.763 878 HB ILE 110 HB ILE 110 3.758 -9.512 -6.524 879 1HG1 ILE 110 1HG1 ILE 110 3.838 -6.685 -5.428 880 2HG1 ILE 110 2HG1 ILE 110 5.372 -7.545 -5.594 881 1HG2 ILE 110 1HG2 ILE 110 1.492 -9.406 -5.579 882 2HG2 ILE 110 2HG2 ILE 110 1.760 -7.839 -6.357 883 3HG2 ILE 110 3HG2 ILE 110 1.912 -7.974 -4.601 884 1HD1 ILE 110 1HD1 ILE 110 5.186 -7.704 -7.947 885 2HD1 ILE 110 2HD1 ILE 110 4.576 -6.093 -7.630 886 3HD1 ILE 110 3HD1 ILE 110 3.433 -7.429 -7.943 887 H GLU 111 H GLU 111 3.299 -9.262 -2.162 888 HA GLU 111 HA GLU 111 1.984 -11.922 -1.952 889 1HB GLU 111 1HB GLU 111 2.157 -9.471 -0.108 890 2HB GLU 111 2HB GLU 111 1.242 -10.885 0.305 891 1HG GLU 111 1HG GLU 111 4.214 -10.892 -0.304 892 2HG GLU 111 2HG GLU 111 3.532 -10.742 1.317 893 H GLY 112 H GLY 112 -0.354 -11.635 -0.878 894 1HA GLY 112 1HA GLY 112 -2.084 -10.878 -2.976 895 2HA GLY 112 2HA GLY 112 -2.633 -11.003 -1.283 896 H ASP 113 H ASP 113 -1.790 -8.784 -3.833 897 HA ASP 113 HA ASP 113 -1.908 -6.468 -3.940 898 1HB ASP 113 1HB ASP 113 -3.801 -7.260 -1.831 899 2HB ASP 113 2HB ASP 113 -3.486 -5.510 -2.046 900 H GLU 114 H GLU 114 0.273 -7.716 -2.283 901 HA GLU 114 HA GLU 114 0.964 -5.277 -0.687 902 1HB GLU 114 1HB GLU 114 0.631 -8.074 0.199 903 2HB GLU 114 2HB GLU 114 1.999 -7.209 0.885 904 1HG GLU 114 1HG GLU 114 -0.150 -5.405 1.282 905 2HG GLU 114 2HG GLU 114 -0.899 -7.019 1.413 906 H LEU 115 H LEU 115 2.730 -4.651 -1.708 907 HA LEU 115 HA LEU 115 4.651 -6.529 -2.846 908 1HB LEU 115 1HB LEU 115 4.143 -4.171 -3.694 909 2HB LEU 115 2HB LEU 115 4.739 -3.508 -2.209 910 HG LEU 115 HG LEU 115 6.269 -3.314 -4.253 911 1HD1 LEU 115 1HD1 LEU 115 7.310 -4.423 -1.579 912 2HD1 LEU 115 2HD1 LEU 115 6.951 -2.743 -1.947 913 3HD1 LEU 115 3HD1 LEU 115 8.259 -3.599 -2.812 914 1HD2 LEU 115 1HD2 LEU 115 6.344 -6.309 -3.850 915 2HD2 LEU 115 2HD2 LEU 115 7.940 -5.517 -3.862 916 3HD2 LEU 115 3HD2 LEU 115 6.880 -5.320 -5.244 917 H HIS 116 H HIS 116 6.375 -7.370 -1.810 918 HA HIS 116 HA HIS 116 7.062 -6.277 0.902 919 1HB HIS 116 1HB HIS 116 5.669 -8.352 1.014 920 2HB HIS 116 2HB HIS 116 7.003 -9.218 0.189 921 HD1 HIS 116 HD1 HIS 116 8.045 -10.604 2.006 922 HD2 HIS 116 HD2 HIS 116 7.390 -6.620 3.188 923 HE1 HIS 116 HE1 HIS 116 9.159 -10.369 4.305 924 HE2 HIS 116 HE2 HIS 116 8.738 -7.928 4.980 925 H LEU 117 H LEU 117 8.815 -5.177 0.061 926 HA LEU 117 HA LEU 117 10.809 -6.793 -1.483 927 1HB LEU 117 1HB LEU 117 10.264 -4.522 -2.260 928 2HB LEU 117 2HB LEU 117 10.600 -3.829 -0.776 929 HG LEU 117 HG LEU 117 12.770 -5.336 -2.315 930 1HD1 LEU 117 1HD1 LEU 117 13.157 -2.508 -2.659 931 2HD1 LEU 117 2HD1 LEU 117 11.486 -2.792 -3.096 932 3HD1 LEU 117 3HD1 LEU 117 12.772 -3.746 -3.890 933 1HD2 LEU 117 1HD2 LEU 117 13.933 -4.892 -0.393 934 2HD2 LEU 117 2HD2 LEU 117 12.698 -3.754 0.175 935 3HD2 LEU 117 3HD2 LEU 117 13.998 -3.218 -0.933 936 H GLU 118 H GLU 118 12.807 -7.262 -0.779 937 HA GLU 118 HA GLU 118 13.579 -6.454 1.979 938 1HB GLU 118 1HB GLU 118 14.091 -8.546 2.730 939 2HB GLU 118 2HB GLU 118 12.657 -8.874 1.708 940 1HG GLU 118 1HG GLU 118 15.426 -9.150 0.520 941 2HG GLU 118 2HG GLU 118 14.777 -10.440 1.462 942 H MET 119 H MET 119 15.548 -5.836 2.203 943 HA MET 119 HA MET 119 17.413 -5.777 -0.152 944 1HB MET 119 1HB MET 119 17.168 -4.022 2.320 945 2HB MET 119 2HB MET 119 18.288 -3.821 0.944 946 1HG MET 119 1HG MET 119 16.223 -3.507 -0.548 947 2HG MET 119 2HG MET 119 15.242 -3.369 0.928 948 1HE MET 119 1HE MET 119 15.464 0.324 -0.129 949 2HE MET 119 2HE MET 119 14.433 -1.090 0.321 950 3HE MET 119 3HE MET 119 15.435 -1.092 -1.174 951 H ARG 120 H ARG 120 19.659 -5.828 0.395 952 HA ARG 120 HA ARG 120 20.419 -6.802 3.031 953 1HB ARG 120 1HB ARG 120 21.440 -8.633 0.913 954 2HB ARG 120 2HB ARG 120 21.047 -8.958 2.569 955 1HG ARG 120 1HG ARG 120 18.618 -9.009 2.096 956 2HG ARG 120 2HG ARG 120 18.952 -8.776 0.359 957 1HD ARG 120 1HD ARG 120 20.488 -10.912 1.659 958 2HD ARG 120 2HD ARG 120 18.772 -11.239 1.583 959 HE ARG 120 HE ARG 120 19.736 -10.229 -0.973 960 1HH1 ARG 120 1HH1 ARG 120 19.766 -13.163 1.026 961 2HH1 ARG 120 2HH1 ARG 120 19.978 -14.245 -0.308 962 1HH2 ARG 120 1HH2 ARG 120 19.992 -11.630 -2.683 963 2HH2 ARG 120 2HH2 ARG 120 20.102 -13.357 -2.422 964 H ALA 121 H ALA 121 22.771 -6.625 3.289 965 HA ALA 121 HA ALA 121 24.556 -6.205 1.108 966 1HB ALA 121 1HB ALA 121 23.360 -3.786 2.460 967 2HB ALA 121 2HB ALA 121 23.710 -3.989 0.733 968 3HB ALA 121 3HB ALA 121 25.058 -3.710 1.871 969 H GLU 122 H GLU 122 26.356 -6.909 1.817 970 HA GLU 122 HA GLU 122 28.161 -7.543 3.134 971 1HB GLU 122 1HB GLU 122 28.027 -5.005 3.519 972 2HB GLU 122 2HB GLU 122 27.492 -5.483 5.140 973 1HG GLU 122 1HG GLU 122 29.483 -6.418 5.763 974 2HG GLU 122 2HG GLU 122 29.896 -6.967 4.162 975 H GLY 123 H GLY 123 25.519 -8.767 3.556 976 1HA GLY 123 1HA GLY 123 25.191 -10.689 4.876 977 2HA GLY 123 2HA GLY 123 26.193 -10.103 6.132 978 H VAL 124 H VAL 124 24.311 -7.384 5.700 979 HA VAL 124 HA VAL 124 22.344 -8.339 7.730 980 HB VAL 124 HB VAL 124 21.695 -5.944 7.924 981 1HG1 VAL 124 1HG1 VAL 124 24.405 -5.318 8.465 982 2HG1 VAL 124 2HG1 VAL 124 24.294 -7.057 8.686 983 3HG1 VAL 124 3HG1 VAL 124 23.215 -6.005 9.629 984 1HG2 VAL 124 1HG2 VAL 124 22.559 -4.309 6.411 985 2HG2 VAL 124 2HG2 VAL 124 22.913 -5.732 5.408 986 3HG2 VAL 124 3HG2 VAL 124 24.160 -5.042 6.497 987 H THR 125 H THR 125 20.124 -7.012 7.483 988 HA THR 125 HA THR 125 19.252 -6.930 4.677 989 HB THR 125 HB THR 125 18.503 -9.134 6.436 990 HG1 THR 125 HG1 THR 125 19.326 -9.826 4.703 991 1HG2 THR 125 1HG2 THR 125 16.291 -7.809 6.285 992 2HG2 THR 125 2HG2 THR 125 16.216 -9.256 5.258 993 3HG2 THR 125 3HG2 THR 125 16.528 -7.655 4.543 994 H CYS 126 H CYS 126 17.696 -5.442 4.369 995 HA CYS 126 HA CYS 126 16.181 -4.290 6.688 996 1HB CYS 126 1HB CYS 126 17.331 -2.306 6.210 997 2HB CYS 126 2HB CYS 126 17.959 -3.003 4.665 998 HG CYS 126 HG CYS 126 16.900 -1.283 3.501 999 H LYS 127 H LYS 127 14.034 -3.883 6.313 1000 HA LYS 127 HA LYS 127 12.951 -4.587 3.605 1001 1HB LYS 127 1HB LYS 127 11.137 -5.807 5.201 1002 2HB LYS 127 2HB LYS 127 12.362 -6.504 4.118 1003 1HG LYS 127 1HG LYS 127 13.435 -7.552 5.816 1004 2HG LYS 127 2HG LYS 127 13.635 -6.052 6.711 1005 1HD LYS 127 1HD LYS 127 12.403 -7.103 8.179 1006 2HD LYS 127 2HD LYS 127 11.035 -6.464 7.216 1007 1HE LYS 127 1HE LYS 127 10.541 -8.521 6.205 1008 2HE LYS 127 2HE LYS 127 12.200 -9.155 6.500 1009 1HZ LYS 127 1HZ LYS 127 10.427 -8.460 8.740 1010 2HZ LYS 127 2HZ LYS 127 11.583 -9.669 8.706 1011 3HZ LYS 127 3HZ LYS 127 10.130 -9.909 7.888 1012 H GLN 128 H GLN 128 11.095 -3.780 3.067 1013 HA GLN 128 HA GLN 128 9.687 -1.898 4.938 1014 1HB GLN 128 1HB GLN 128 9.390 -0.967 2.292 1015 2HB GLN 128 2HB GLN 128 10.039 -0.133 3.686 1016 1HG GLN 128 1HG GLN 128 12.282 -0.806 3.115 1017 2HG GLN 128 2HG GLN 128 11.741 -2.032 1.985 1018 1HE2 GLN 128 1HE2 GLN 128 11.763 1.506 2.509 1019 2HE2 GLN 128 2HE2 GLN 128 11.788 1.967 0.821 1020 H VAL 129 H VAL 129 7.815 -2.812 5.281 1021 HA VAL 129 HA VAL 129 6.492 -4.471 3.231 1022 HB VAL 129 HB VAL 129 5.251 -3.189 5.686 1023 1HG1 VAL 129 1HG1 VAL 129 3.290 -3.881 4.780 1024 2HG1 VAL 129 2HG1 VAL 129 3.839 -5.527 5.200 1025 3HG1 VAL 129 3HG1 VAL 129 4.099 -4.919 3.584 1026 1HG2 VAL 129 1HG2 VAL 129 6.976 -4.848 6.499 1027 2HG2 VAL 129 2HG2 VAL 129 6.455 -6.044 5.292 1028 3HG2 VAL 129 3HG2 VAL 129 5.394 -5.595 6.634 1029 H PHE 130 H PHE 130 5.442 -3.686 1.513 1030 HA PHE 130 HA PHE 130 4.690 -0.779 1.384 1031 1HB PHE 130 1HB PHE 130 5.565 -2.833 -0.586 1032 2HB PHE 130 2HB PHE 130 4.357 -1.632 -1.106 1033 HD1 PHE 130 HD1 PHE 130 7.331 -1.296 1.176 1034 HD2 PHE 130 HD2 PHE 130 5.393 -0.014 -2.493 1035 HE1 PHE 130 HE1 PHE 130 9.043 0.392 0.838 1036 HE2 PHE 130 HE2 PHE 130 7.106 1.665 -2.805 1037 HZ PHE 130 HZ PHE 130 8.984 1.927 -1.174 1038 H LYS 131 H LYS 131 2.662 -0.306 0.258 1039 HA LYS 131 HA LYS 131 0.616 -2.502 0.445 1040 1HB LYS 131 1HB LYS 131 0.885 -0.418 2.343 1041 2HB LYS 131 2HB LYS 131 -0.357 0.131 1.248 1042 1HG LYS 131 1HG LYS 131 -0.401 -2.402 2.871 1043 2HG LYS 131 2HG LYS 131 -1.553 -1.022 2.911 1044 1HD LYS 131 1HD LYS 131 -2.026 -1.657 0.418 1045 2HD LYS 131 2HD LYS 131 -1.190 -3.181 0.837 1046 1HE LYS 131 1HE LYS 131 -3.731 -3.220 1.095 1047 2HE LYS 131 2HE LYS 131 -2.848 -3.657 2.617 1048 1HZ LYS 131 1HZ LYS 131 -4.767 -2.001 2.611 1049 2HZ LYS 131 2HZ LYS 131 -3.601 -0.866 2.092 1050 3HZ LYS 131 3HZ LYS 131 -3.416 -1.654 3.547 1051 H LYS 132 H LYS 132 0.270 -2.671 -1.718 1052 HA LYS 132 HA LYS 132 0.301 -0.376 -3.481 1053 1HB LYS 132 1HB LYS 132 -0.064 -3.256 -3.587 1054 2HB LYS 132 2HB LYS 132 -1.298 -2.515 -4.572 1055 1HG LYS 132 1HG LYS 132 0.570 -1.148 -5.749 1056 2HG LYS 132 2HG LYS 132 1.728 -2.231 -4.892 1057 1HD LYS 132 1HD LYS 132 1.372 -3.206 -7.043 1058 2HD LYS 132 2HD LYS 132 0.415 -4.187 -5.948 1059 1HE LYS 132 1HE LYS 132 -1.275 -1.965 -6.770 1060 2HE LYS 132 2HE LYS 132 -0.440 -2.648 -8.214 1061 1HZ LYS 132 1HZ LYS 132 -2.436 -3.853 -6.528 1062 2HZ LYS 132 2HZ LYS 132 -1.162 -4.849 -6.943 1063 3HZ LYS 132 3HZ LYS 132 -2.019 -4.068 -8.173 1064 H VAL 133 H VAL 133 -1.227 1.015 -3.879 1065 HA VAL 133 HA VAL 133 -4.013 0.661 -2.765 1066 HB VAL 133 HB VAL 133 -2.217 2.980 -3.054 1067 1HG1 VAL 133 1HG1 VAL 133 -3.870 3.689 -4.680 1068 2HG1 VAL 133 2HG1 VAL 133 -4.259 4.521 -3.170 1069 3HG1 VAL 133 3HG1 VAL 133 -5.212 3.129 -3.653 1070 1HG2 VAL 133 1HG2 VAL 133 -3.981 3.501 -1.049 1071 2HG2 VAL 133 2HG2 VAL 133 -2.623 2.394 -0.845 1072 3HG2 VAL 133 3HG2 VAL 133 -4.219 1.732 -1.145 1073 H HIS 134 H HIS 134 -2.160 0.815 -5.688 1074 HA HIS 134 HA HIS 134 -2.817 0.709 -7.925 1075 1HB HIS 134 1HB HIS 134 -3.767 -1.307 -7.414 1076 2HB HIS 134 2HB HIS 134 -5.177 -0.623 -6.637 1077 HD1 HIS 134 HD1 HIS 134 -3.586 -0.397 -10.048 1078 HD2 HIS 134 HD2 HIS 134 -7.402 -0.533 -8.262 1079 HE1 HIS 134 HE1 HIS 134 -5.310 -0.421 -11.965 1080 HE2 HIS 134 HE2 HIS 134 -7.604 -0.497 -10.856 Start of MODEL 16 1 1H PRO 1 1H PRO 1 -1.142 -13.404 -14.129 2 2H PRO 1 2H PRO 1 -0.500 -14.143 -15.479 3 HA PRO 1 HA PRO 1 1.038 -12.700 -15.750 4 1HB PRO 1 1HB PRO 1 -0.731 -10.277 -15.264 5 2HB PRO 1 2HB PRO 1 0.524 -10.582 -16.568 6 1HG PRO 1 1HG PRO 1 -2.141 -10.946 -16.978 7 2HG PRO 1 2HG PRO 1 -0.866 -11.899 -17.772 8 1HD PRO 1 1HD PRO 1 -2.835 -12.768 -15.711 9 2HD PRO 1 2HD PRO 1 -1.911 -13.746 -16.895 10 H VAL 2 H VAL 2 2.151 -10.823 -14.713 11 HA VAL 2 HA VAL 2 1.818 -10.765 -11.734 12 HB VAL 2 HB VAL 2 4.619 -10.927 -12.675 13 1HG1 VAL 2 1HG1 VAL 2 3.124 -12.541 -10.541 14 2HG1 VAL 2 2HG1 VAL 2 3.687 -10.881 -10.236 15 3HG1 VAL 2 3HG1 VAL 2 4.839 -12.188 -10.657 16 1HG2 VAL 2 1HG2 VAL 2 4.505 -13.411 -13.085 17 2HG2 VAL 2 2HG2 VAL 2 3.617 -12.478 -14.270 18 3HG2 VAL 2 3HG2 VAL 2 2.716 -13.314 -13.019 19 H ASP 3 H ASP 3 1.071 -8.730 -13.645 20 HA ASP 3 HA ASP 3 2.742 -6.735 -14.474 21 1HB ASP 3 1HB ASP 3 0.035 -6.673 -13.145 22 2HB ASP 3 2HB ASP 3 0.840 -5.183 -13.658 23 H PHE 4 H PHE 4 4.135 -5.322 -13.489 24 HA PHE 4 HA PHE 4 4.262 -5.254 -10.512 25 1HB PHE 4 1HB PHE 4 6.215 -4.715 -12.703 26 2HB PHE 4 2HB PHE 4 6.460 -4.019 -11.108 27 HD1 PHE 4 HD1 PHE 4 7.136 -5.262 -9.268 28 HD2 PHE 4 HD2 PHE 4 6.080 -7.262 -12.887 29 HE1 PHE 4 HE1 PHE 4 8.129 -7.409 -8.404 30 HE2 PHE 4 HE2 PHE 4 7.024 -9.340 -12.102 31 HZ PHE 4 HZ PHE 4 8.065 -9.460 -9.854 32 H ASN 5 H ASN 5 3.373 -3.114 -13.160 33 HA ASN 5 HA ASN 5 3.991 -0.530 -12.122 34 1HB ASN 5 1HB ASN 5 1.834 0.125 -13.279 35 2HB ASN 5 2HB ASN 5 3.162 -0.603 -14.227 36 1HD2 ASN 5 1HD2 ASN 5 -0.172 -0.874 -13.388 37 2HD2 ASN 5 2HD2 ASN 5 -0.439 -2.378 -14.183 38 H GLY 6 H GLY 6 3.416 0.237 -9.964 39 1HA GLY 6 1HA GLY 6 0.611 -0.396 -9.086 40 2HA GLY 6 2HA GLY 6 1.907 -0.608 -8.027 41 H TYR 7 H TYR 7 0.816 0.775 -6.708 42 HA TYR 7 HA TYR 7 1.588 3.595 -6.774 43 1HB TYR 7 1HB TYR 7 -0.807 3.045 -8.021 44 2HB TYR 7 2HB TYR 7 -1.374 3.251 -6.352 45 HD1 TYR 7 HD1 TYR 7 -1.378 5.038 -9.165 46 HD2 TYR 7 HD2 TYR 7 0.233 5.311 -5.217 47 HE1 TYR 7 HE1 TYR 7 -1.403 7.479 -9.359 48 HE2 TYR 7 HE2 TYR 7 0.234 7.741 -5.349 49 HH TYR 7 HH TYR 7 -0.057 9.529 -6.694 50 H TRP 8 H TRP 8 2.739 2.608 -5.169 51 HA TRP 8 HA TRP 8 2.017 0.957 -2.976 52 1HB TRP 8 1HB TRP 8 4.180 1.549 -2.240 53 2HB TRP 8 2HB TRP 8 4.229 1.874 -3.975 54 HD1 TRP 8 HD1 TRP 8 5.088 3.483 -0.865 55 HE1 TRP 8 HE1 TRP 8 5.174 5.998 -0.836 56 HE3 TRP 8 HE3 TRP 8 2.627 4.451 -5.388 57 HZ2 TRP 8 HZ2 TRP 8 4.340 8.107 -2.459 58 HZ3 TRP 8 HZ3 TRP 8 2.357 6.772 -5.979 59 HH2 TRP 8 HH2 TRP 8 3.202 8.624 -4.535 60 H LYS 9 H LYS 9 2.988 2.223 -0.848 61 HA LYS 9 HA LYS 9 2.615 4.618 0.098 62 1HB LYS 9 1HB LYS 9 0.494 4.913 1.131 63 2HB LYS 9 2HB LYS 9 0.426 5.037 -0.602 64 1HG LYS 9 1HG LYS 9 -0.935 3.082 -0.850 65 2HG LYS 9 2HG LYS 9 -0.124 2.306 0.501 66 1HD LYS 9 1HD LYS 9 -1.498 4.716 1.495 67 2HD LYS 9 2HD LYS 9 -2.638 3.733 0.536 68 1HE LYS 9 1HE LYS 9 -1.475 1.745 2.012 69 2HE LYS 9 2HE LYS 9 -1.182 3.111 3.108 70 1HZ LYS 9 1HZ LYS 9 -3.253 2.195 3.652 71 2HZ LYS 9 2HZ LYS 9 -3.823 2.211 2.041 72 3HZ LYS 9 3HZ LYS 9 -3.605 3.649 2.865 73 H MET 10 H MET 10 4.263 3.289 0.915 74 HA MET 10 HA MET 10 4.411 1.054 2.320 75 1HB MET 10 1HB MET 10 6.172 2.625 1.798 76 2HB MET 10 2HB MET 10 5.710 3.638 3.165 77 1HG MET 10 1HG MET 10 5.912 1.319 4.494 78 2HG MET 10 2HG MET 10 6.938 0.843 3.126 79 1HE MET 10 1HE MET 10 8.471 3.195 2.163 80 2HE MET 10 2HE MET 10 9.249 1.679 2.635 81 3HE MET 10 3HE MET 10 9.911 3.201 3.271 82 H LEU 11 H LEU 11 4.025 0.201 4.240 83 HA LEU 11 HA LEU 11 2.107 1.584 6.022 84 1HB LEU 11 1HB LEU 11 1.516 -0.697 5.432 85 2HB LEU 11 2HB LEU 11 3.070 -1.263 5.576 86 HG LEU 11 HG LEU 11 3.053 -0.992 8.040 87 1HD1 LEU 11 1HD1 LEU 11 0.314 0.080 7.490 88 2HD1 LEU 11 2HD1 LEU 11 1.485 0.573 8.709 89 3HD1 LEU 11 3HD1 LEU 11 0.510 -0.861 8.977 90 1HD2 LEU 11 1HD2 LEU 11 2.078 -3.057 6.411 91 2HD2 LEU 11 2HD2 LEU 11 0.604 -2.655 7.293 92 3HD2 LEU 11 3HD2 LEU 11 2.064 -3.196 8.178 93 H SER 12 H SER 12 5.338 0.067 5.824 94 HA SER 12 HA SER 12 6.592 1.706 7.845 95 1HB SER 12 1HB SER 12 6.104 0.791 9.719 96 2HB SER 12 2HB SER 12 5.095 -0.418 8.914 97 HG SER 12 HG SER 12 6.754 -1.782 8.971 98 H ASN 13 H ASN 13 8.655 1.126 8.316 99 HA ASN 13 HA ASN 13 10.000 -0.782 6.380 100 1HB ASN 13 1HB ASN 13 11.975 0.828 6.593 101 2HB ASN 13 2HB ASN 13 10.567 1.470 5.718 102 1HD2 ASN 13 1HD2 ASN 13 12.368 1.534 8.699 103 2HD2 ASN 13 2HD2 ASN 13 11.763 3.039 9.361 104 H GLU 14 H GLU 14 12.091 -1.473 7.271 105 HA GLU 14 HA GLU 14 12.399 -1.419 10.227 106 1HB GLU 14 1HB GLU 14 12.274 -3.704 10.666 107 2HB GLU 14 2HB GLU 14 10.712 -3.002 10.162 108 1HG GLU 14 1HG GLU 14 12.066 -3.939 7.819 109 2HG GLU 14 2HG GLU 14 12.045 -5.259 9.013 110 H ASN 15 H ASN 15 14.411 -1.503 10.698 111 HA ASN 15 HA ASN 15 16.652 -1.897 10.746 112 1HB ASN 15 1HB ASN 15 16.548 -3.830 8.539 113 2HB ASN 15 2HB ASN 15 17.631 -3.733 9.980 114 1HD2 ASN 15 1HD2 ASN 15 15.068 -5.465 8.722 115 2HD2 ASN 15 2HD2 ASN 15 14.368 -6.107 10.191 116 H PHE 16 H PHE 16 15.740 0.286 9.327 117 HA PHE 16 HA PHE 16 16.933 0.671 6.702 118 1HB PHE 16 1HB PHE 16 14.973 1.810 7.325 119 2HB PHE 16 2HB PHE 16 15.798 2.577 8.718 120 HD1 PHE 16 HD1 PHE 16 16.118 2.393 4.933 121 HD2 PHE 16 HD2 PHE 16 16.883 4.606 8.496 122 HE1 PHE 16 HE1 PHE 16 16.904 4.257 3.589 123 HE2 PHE 16 HE2 PHE 16 17.686 6.487 7.181 124 HZ PHE 16 HZ PHE 16 17.710 6.346 4.703 125 H GLU 17 H GLU 17 17.629 1.438 10.102 126 HA GLU 17 HA GLU 17 20.003 3.069 9.638 127 1HB GLU 17 1HB GLU 17 18.994 1.729 12.159 128 2HB GLU 17 2HB GLU 17 20.481 2.655 12.046 129 1HG GLU 17 1HG GLU 17 19.213 4.677 11.504 130 2HG GLU 17 2HG GLU 17 17.790 3.734 11.088 131 H GLU 18 H GLU 18 19.456 -0.399 10.346 132 HA GLU 18 HA GLU 18 22.227 -1.108 10.811 133 1HB GLU 18 1HB GLU 18 19.893 -2.736 9.986 134 2HB GLU 18 2HB GLU 18 21.537 -3.322 10.459 135 1HG GLU 18 1HG GLU 18 21.195 -2.912 12.700 136 2HG GLU 18 2HG GLU 18 20.360 -1.402 12.395 137 H TYR 19 H TYR 19 20.057 -0.818 8.062 138 HA TYR 19 HA TYR 19 21.747 -2.156 6.111 139 1HB TYR 19 1HB TYR 19 19.611 -2.202 5.502 140 2HB TYR 19 2HB TYR 19 19.234 -0.578 6.119 141 HD1 TYR 19 HD1 TYR 19 19.659 1.472 4.749 142 HD2 TYR 19 HD2 TYR 19 20.463 -2.515 3.194 143 HE1 TYR 19 HE1 TYR 19 19.815 2.346 2.443 144 HE2 TYR 19 HE2 TYR 19 20.584 -1.613 0.933 145 HH TYR 19 HH TYR 19 19.582 1.582 0.183 146 H LEU 20 H LEU 20 21.299 1.254 7.157 147 HA LEU 20 HA LEU 20 22.965 2.354 5.071 148 1HB LEU 20 1HB LEU 20 22.189 3.612 7.711 149 2HB LEU 20 2HB LEU 20 23.136 4.394 6.541 150 HG LEU 20 HG LEU 20 20.269 3.424 6.062 151 1HD1 LEU 20 1HD1 LEU 20 20.568 5.404 7.600 152 2HD1 LEU 20 2HD1 LEU 20 19.708 5.802 6.120 153 3HD1 LEU 20 3HD1 LEU 20 21.440 6.245 6.277 154 1HD2 LEU 20 1HD2 LEU 20 21.403 3.345 3.934 155 2HD2 LEU 20 2HD2 LEU 20 22.273 4.857 4.186 156 3HD2 LEU 20 3HD2 LEU 20 20.511 4.895 3.934 157 H ARG 21 H ARG 21 23.471 0.956 8.177 158 HA ARG 21 HA ARG 21 26.144 1.938 8.762 159 1HB ARG 21 1HB ARG 21 24.205 0.908 10.297 160 2HB ARG 21 2HB ARG 21 25.035 -0.587 9.937 161 1HG ARG 21 1HG ARG 21 26.364 1.933 11.124 162 2HG ARG 21 2HG ARG 21 25.798 0.548 12.119 163 1HD ARG 21 1HD ARG 21 27.294 -0.893 10.635 164 2HD ARG 21 2HD ARG 21 27.983 0.632 10.032 165 HE ARG 21 HE ARG 21 29.272 0.745 11.944 166 1HH1 ARG 21 1HH1 ARG 21 26.438 -1.174 12.708 167 2HH1 ARG 21 2HH1 ARG 21 26.985 -1.520 14.308 168 1HH2 ARG 21 1HH2 ARG 21 29.967 0.317 14.015 169 2HH2 ARG 21 2HH2 ARG 21 29.061 -0.647 15.107 170 H ALA 22 H ALA 22 24.605 -0.651 7.028 171 HA ALA 22 HA ALA 22 26.730 -2.563 6.759 172 1HB ALA 22 1HB ALA 22 25.350 -3.638 5.157 173 2HB ALA 22 2HB ALA 22 24.502 -2.148 4.745 174 3HB ALA 22 3HB ALA 22 24.228 -2.865 6.337 175 H LEU 23 H LEU 23 26.060 0.439 5.081 176 HA LEU 23 HA LEU 23 28.180 -0.048 3.052 177 1HB LEU 23 1HB LEU 23 26.194 2.232 3.126 178 2HB LEU 23 2HB LEU 23 27.157 1.655 1.821 179 HG LEU 23 HG LEU 23 24.788 0.205 3.026 180 1HD1 LEU 23 1HD1 LEU 23 25.233 2.008 0.731 181 2HD1 LEU 23 2HD1 LEU 23 23.702 1.545 1.516 182 3HD1 LEU 23 3HD1 LEU 23 24.417 0.542 0.259 183 1HD2 LEU 23 1HD2 LEU 23 26.006 -0.815 0.422 184 2HD2 LEU 23 2HD2 LEU 23 25.266 -1.744 1.712 185 3HD2 LEU 23 3HD2 LEU 23 26.928 -1.203 1.904 186 H ASP 24 H ASP 24 27.688 1.298 6.063 187 HA ASP 24 HA ASP 24 28.786 2.839 7.458 188 1HB ASP 24 1HB ASP 24 31.043 2.007 5.696 189 2HB ASP 24 2HB ASP 24 31.162 3.070 7.095 190 H VAL 25 H VAL 25 27.200 4.291 5.926 191 HA VAL 25 HA VAL 25 28.836 6.369 4.512 192 HB VAL 25 HB VAL 25 26.672 7.325 3.960 193 1HG1 VAL 25 1HG1 VAL 25 27.165 5.970 2.193 194 2HG1 VAL 25 2HG1 VAL 25 25.906 4.888 2.847 195 3HG1 VAL 25 3HG1 VAL 25 27.583 4.582 3.251 196 1HG2 VAL 25 1HG2 VAL 25 25.771 5.648 6.136 197 2HG2 VAL 25 2HG2 VAL 25 24.901 5.099 4.664 198 3HG2 VAL 25 3HG2 VAL 25 24.777 6.756 5.212 199 H ASN 26 H ASN 26 28.527 8.606 5.157 200 HA ASN 26 HA ASN 26 29.225 9.368 7.717 201 1HB ASN 26 1HB ASN 26 27.795 10.835 5.623 202 2HB ASN 26 2HB ASN 26 28.156 11.553 7.229 203 1HD2 ASN 26 1HD2 ASN 26 29.269 12.069 4.416 204 2HD2 ASN 26 2HD2 ASN 26 30.999 11.960 4.567 205 H VAL 27 H VAL 27 28.408 9.900 9.523 206 HA VAL 27 HA VAL 27 25.969 8.718 10.446 207 HB VAL 27 HB VAL 27 27.945 10.490 11.823 208 1HG1 VAL 27 1HG1 VAL 27 26.633 9.640 13.935 209 2HG1 VAL 27 2HG1 VAL 27 25.255 9.401 12.810 210 3HG1 VAL 27 3HG1 VAL 27 25.880 11.022 13.107 211 1HG2 VAL 27 1HG2 VAL 27 28.942 8.390 11.928 212 2HG2 VAL 27 2HG2 VAL 27 27.407 7.624 11.419 213 3HG2 VAL 27 3HG2 VAL 27 27.692 8.076 13.123 214 H ALA 28 H ALA 28 26.574 12.009 9.269 215 HA ALA 28 HA ALA 28 24.272 13.083 10.635 216 1HB ALA 28 1HB ALA 28 26.031 14.562 10.031 217 2HB ALA 28 2HB ALA 28 24.605 15.038 9.065 218 3HB ALA 28 3HB ALA 28 25.933 14.108 8.313 219 H LEU 29 H LEU 29 24.870 11.396 7.702 220 HA LEU 29 HA LEU 29 22.528 12.071 6.227 221 1HB LEU 29 1HB LEU 29 24.663 11.007 5.320 222 2HB LEU 29 2HB LEU 29 24.146 9.544 6.089 223 HG LEU 29 HG LEU 29 21.863 10.346 4.598 224 1HD1 LEU 29 1HD1 LEU 29 22.995 10.270 2.232 225 2HD1 LEU 29 2HD1 LEU 29 24.422 10.947 3.089 226 3HD1 LEU 29 3HD1 LEU 29 22.855 11.782 3.101 227 1HD2 LEU 29 1HD2 LEU 29 22.248 8.182 3.463 228 2HD2 LEU 29 2HD2 LEU 29 22.732 8.041 5.171 229 3HD2 LEU 29 3HD2 LEU 29 23.951 8.228 3.914 230 H ARG 30 H ARG 30 23.355 9.358 8.345 231 HA ARG 30 HA ARG 30 20.957 7.741 7.989 232 1HB ARG 30 1HB ARG 30 22.700 6.481 8.837 233 2HB ARG 30 2HB ARG 30 23.356 7.845 9.745 234 1HG ARG 30 1HG ARG 30 21.678 7.552 11.523 235 2HG ARG 30 2HG ARG 30 20.774 6.438 10.512 236 1HD ARG 30 1HD ARG 30 21.749 4.805 11.536 237 2HD ARG 30 2HD ARG 30 23.192 5.126 10.571 238 HE ARG 30 HE ARG 30 24.284 5.739 12.528 239 1HH1 ARG 30 1HH1 ARG 30 20.789 5.989 12.999 240 2HH1 ARG 30 2HH1 ARG 30 20.986 6.339 14.702 241 1HH2 ARG 30 1HH2 ARG 30 24.430 6.195 14.805 242 2HH2 ARG 30 2HH2 ARG 30 23.010 6.444 15.741 243 H LYS 31 H LYS 31 21.913 10.384 10.124 244 HA LYS 31 HA LYS 31 19.760 9.990 12.052 245 1HB LYS 31 1HB LYS 31 21.931 11.867 11.507 246 2HB LYS 31 2HB LYS 31 20.471 12.576 12.253 247 1HG LYS 31 1HG LYS 31 20.647 10.615 13.950 248 2HG LYS 31 2HG LYS 31 22.283 10.323 13.356 249 1HD LYS 31 1HD LYS 31 23.122 12.372 14.145 250 2HD LYS 31 2HD LYS 31 21.567 13.162 14.059 251 1HE LYS 31 1HE LYS 31 20.767 12.332 16.077 252 2HE LYS 31 2HE LYS 31 21.891 10.907 16.028 253 1HZ LYS 31 1HZ LYS 31 23.726 12.600 16.258 254 2HZ LYS 31 2HZ LYS 31 22.811 12.370 17.623 255 3HZ LYS 31 3HZ LYS 31 22.508 13.725 16.626 256 H ILE 32 H ILE 32 20.382 11.850 9.093 257 HA ILE 32 HA ILE 32 18.025 13.513 9.337 258 HB ILE 32 HB ILE 32 20.230 13.179 7.339 259 1HG1 ILE 32 1HG1 ILE 32 19.951 15.706 7.303 260 2HG1 ILE 32 2HG1 ILE 32 18.533 15.534 8.275 261 1HG2 ILE 32 1HG2 ILE 32 18.736 14.621 5.670 262 2HG2 ILE 32 2HG2 ILE 32 17.337 14.001 6.570 263 3HG2 ILE 32 3HG2 ILE 32 18.390 12.868 5.720 264 1HD1 ILE 32 1HD1 ILE 32 20.199 14.234 9.981 265 2HD1 ILE 32 2HD1 ILE 32 20.148 16.023 9.950 266 3HD1 ILE 32 3HD1 ILE 32 21.421 15.134 9.092 267 H ALA 33 H ALA 33 18.979 10.598 7.551 268 HA ALA 33 HA ALA 33 16.477 10.457 6.014 269 1HB ALA 33 1HB ALA 33 17.600 8.099 5.591 270 2HB ALA 33 2HB ALA 33 19.045 9.016 6.084 271 3HB ALA 33 3HB ALA 33 18.023 9.588 4.723 272 H ASN 34 H ASN 34 17.412 9.212 9.234 273 HA ASN 34 HA ASN 34 15.531 6.992 9.048 274 1HB ASN 34 1HB ASN 34 16.175 6.285 11.014 275 2HB ASN 34 2HB ASN 34 17.614 7.205 10.560 276 1HD2 ASN 34 1HD2 ASN 34 16.763 9.842 11.024 277 2HD2 ASN 34 2HD2 ASN 34 16.507 10.110 12.717 278 H LEU 35 H LEU 35 15.303 10.341 9.514 279 HA LEU 35 HA LEU 35 12.887 10.297 11.152 280 1HB LEU 35 1HB LEU 35 14.615 12.401 9.912 281 2HB LEU 35 2HB LEU 35 12.978 12.813 10.431 282 HG LEU 35 HG LEU 35 15.140 11.594 12.183 283 1HD1 LEU 35 1HD1 LEU 35 15.586 13.711 12.998 284 2HD1 LEU 35 2HD1 LEU 35 13.860 14.172 12.923 285 3HD1 LEU 35 3HD1 LEU 35 14.854 14.291 11.481 286 1HD2 LEU 35 1HD2 LEU 35 12.167 12.169 12.649 287 2HD2 LEU 35 2HD2 LEU 35 13.325 12.241 14.010 288 3HD2 LEU 35 3HD2 LEU 35 13.067 10.729 13.076 289 H LEU 36 H LEU 36 13.439 9.811 7.840 290 HA LEU 36 HA LEU 36 10.687 10.804 7.048 291 1HB LEU 36 1HB LEU 36 13.033 10.029 5.277 292 2HB LEU 36 2HB LEU 36 11.586 10.665 4.739 293 HG LEU 36 HG LEU 36 13.446 12.303 6.472 294 1HD1 LEU 36 1HD1 LEU 36 13.622 11.564 3.556 295 2HD1 LEU 36 2HD1 LEU 36 14.912 11.938 4.683 296 3HD1 LEU 36 3HD1 LEU 36 13.977 13.250 4.002 297 1HD2 LEU 36 1HD2 LEU 36 11.039 13.128 6.073 298 2HD2 LEU 36 2HD2 LEU 36 11.273 12.979 4.351 299 3HD2 LEU 36 3HD2 LEU 36 12.209 14.205 5.250 300 H LYS 37 H LYS 37 9.668 9.428 5.424 301 HA LYS 37 HA LYS 37 10.530 6.570 5.408 302 1HB LYS 37 1HB LYS 37 7.932 5.996 5.556 303 2HB LYS 37 2HB LYS 37 8.883 6.286 7.024 304 1HG LYS 37 1HG LYS 37 7.904 8.340 7.473 305 2HG LYS 37 2HG LYS 37 7.403 8.641 5.814 306 1HD LYS 37 1HD LYS 37 5.828 6.680 5.937 307 2HD LYS 37 2HD LYS 37 6.272 6.413 7.612 308 1HE LYS 37 1HE LYS 37 5.480 9.224 7.358 309 2HE LYS 37 2HE LYS 37 4.219 8.177 6.650 310 1HZ LYS 37 1HZ LYS 37 3.802 7.246 8.653 311 2HZ LYS 37 2HZ LYS 37 4.254 8.824 9.127 312 3HZ LYS 37 3HZ LYS 37 5.333 7.546 9.330 313 HA PRO 38 HA PRO 38 10.188 8.233 1.188 314 1HB PRO 38 1HB PRO 38 10.983 5.336 0.862 315 2HB PRO 38 2HB PRO 38 11.634 6.768 -0.005 316 1HG PRO 38 1HG PRO 38 13.188 5.914 1.876 317 2HG PRO 38 2HG PRO 38 12.717 7.661 1.936 318 1HD PRO 38 1HD PRO 38 11.394 5.389 3.477 319 2HD PRO 38 2HD PRO 38 12.011 6.940 4.124 320 H ASP 39 H ASP 39 9.562 7.025 -0.887 321 HA ASP 39 HA ASP 39 6.971 5.548 -0.538 322 1HB ASP 39 1HB ASP 39 6.282 7.014 -2.569 323 2HB ASP 39 2HB ASP 39 6.152 7.677 -0.938 324 H LYS 40 H LYS 40 6.313 5.107 -3.162 325 HA LYS 40 HA LYS 40 8.584 4.781 -4.912 326 1HB LYS 40 1HB LYS 40 8.115 2.800 -2.908 327 2HB LYS 40 2HB LYS 40 7.832 2.063 -4.513 328 1HG LYS 40 1HG LYS 40 10.140 3.309 -5.051 329 2HG LYS 40 2HG LYS 40 10.325 3.149 -3.286 330 1HD LYS 40 1HD LYS 40 9.822 0.664 -3.474 331 2HD LYS 40 2HD LYS 40 9.829 0.831 -5.236 332 1HE LYS 40 1HE LYS 40 12.216 1.765 -3.555 333 2HE LYS 40 2HE LYS 40 12.033 0.100 -4.065 334 1HZ LYS 40 1HZ LYS 40 12.284 0.588 -6.264 335 2HZ LYS 40 2HZ LYS 40 13.375 1.628 -5.490 336 3HZ LYS 40 3HZ LYS 40 11.892 2.193 -6.118 337 H GLU 41 H GLU 41 7.546 4.894 -6.927 338 HA GLU 41 HA GLU 41 4.847 3.531 -7.126 339 1HB GLU 41 1HB GLU 41 4.557 5.979 -7.309 340 2HB GLU 41 2HB GLU 41 5.841 5.975 -8.569 341 1HG GLU 41 1HG GLU 41 4.503 4.774 -10.159 342 2HG GLU 41 2HG GLU 41 3.381 4.231 -8.958 343 H ILE 42 H ILE 42 4.943 1.813 -8.445 344 HA ILE 42 HA ILE 42 7.247 1.671 -10.360 345 HB ILE 42 HB ILE 42 5.323 -0.568 -9.745 346 1HG1 ILE 42 1HG1 ILE 42 7.730 0.491 -8.275 347 2HG1 ILE 42 2HG1 ILE 42 6.250 -0.135 -7.650 348 1HG2 ILE 42 1HG2 ILE 42 8.157 -0.270 -11.045 349 2HG2 ILE 42 2HG2 ILE 42 6.679 -0.646 -11.902 350 3HG2 ILE 42 3HG2 ILE 42 7.352 -1.837 -10.763 351 1HD1 ILE 42 1HD1 ILE 42 8.186 -1.773 -7.297 352 2HD1 ILE 42 2HD1 ILE 42 8.395 -1.823 -9.053 353 3HD1 ILE 42 3HD1 ILE 42 6.920 -2.487 -8.299 354 H VAL 43 H VAL 43 7.016 1.516 -12.522 355 HA VAL 43 HA VAL 43 4.258 1.318 -13.655 356 HB VAL 43 HB VAL 43 6.131 3.613 -14.330 357 1HG1 VAL 43 1HG1 VAL 43 3.359 2.857 -15.397 358 2HG1 VAL 43 2HG1 VAL 43 4.865 3.037 -16.286 359 3HG1 VAL 43 3HG1 VAL 43 4.065 4.472 -15.638 360 1HG2 VAL 43 1HG2 VAL 43 5.096 4.042 -12.118 361 2HG2 VAL 43 2HG2 VAL 43 3.483 3.575 -12.661 362 3HG2 VAL 43 3HG2 VAL 43 4.235 5.083 -13.229 363 H GLN 44 H GLN 44 4.346 0.298 -15.531 364 HA GLN 44 HA GLN 44 6.926 -0.178 -16.985 365 1HB GLN 44 1HB GLN 44 6.375 -1.892 -15.117 366 2HB GLN 44 2HB GLN 44 5.009 -2.402 -16.103 367 1HG GLN 44 1HG GLN 44 6.685 -3.016 -17.937 368 2HG GLN 44 2HG GLN 44 7.981 -2.399 -16.915 369 1HE2 GLN 44 1HE2 GLN 44 5.574 -5.061 -17.348 370 2HE2 GLN 44 2HE2 GLN 44 6.314 -6.136 -16.199 371 H ASP 45 H ASP 45 6.485 0.152 -19.161 372 HA ASP 45 HA ASP 45 3.612 0.109 -19.944 373 1HB ASP 45 1HB ASP 45 6.118 1.476 -20.879 374 2HB ASP 45 2HB ASP 45 4.791 1.276 -22.031 375 H GLY 46 H GLY 46 5.553 -2.178 -19.530 376 1HA GLY 46 1HA GLY 46 5.605 -4.269 -20.540 377 2HA GLY 46 2HA GLY 46 4.972 -3.561 -22.066 378 H ASP 47 H ASP 47 7.749 -4.728 -20.355 379 HA ASP 47 HA ASP 47 9.949 -4.803 -20.869 380 1HB ASP 47 1HB ASP 47 9.144 -4.169 -23.686 381 2HB ASP 47 2HB ASP 47 10.736 -4.764 -23.110 382 H HIS 48 H HIS 48 8.793 -2.304 -19.985 383 HA HIS 48 HA HIS 48 11.045 -0.479 -20.497 384 1HB HIS 48 1HB HIS 48 9.594 -0.110 -22.457 385 2HB HIS 48 2HB HIS 48 8.221 0.223 -21.374 386 HD1 HIS 48 HD1 HIS 48 7.729 2.583 -21.315 387 HD2 HIS 48 HD2 HIS 48 11.903 1.935 -21.628 388 HE1 HIS 48 HE1 HIS 48 8.803 4.910 -21.337 389 HE2 HIS 48 HE2 HIS 48 11.329 4.463 -21.530 390 H MET 49 H MET 49 11.272 -0.768 -18.286 391 HA MET 49 HA MET 49 8.927 -0.097 -16.583 392 1HB MET 49 1HB MET 49 9.788 -2.190 -16.161 393 2HB MET 49 2HB MET 49 11.439 -1.624 -16.296 394 1HG MET 49 1HG MET 49 11.314 -0.433 -14.172 395 2HG MET 49 2HG MET 49 9.542 -0.716 -14.089 396 1HE MET 49 1HE MET 49 9.340 -3.381 -11.683 397 2HE MET 49 2HE MET 49 8.505 -3.479 -13.228 398 3HE MET 49 3HE MET 49 8.752 -1.881 -12.429 399 H ILE 50 H ILE 50 8.908 1.477 -15.070 400 HA ILE 50 HA ILE 50 11.362 3.153 -14.715 401 HB ILE 50 HB ILE 50 8.516 4.250 -14.444 402 1HG1 ILE 50 1HG1 ILE 50 8.665 3.220 -16.749 403 2HG1 ILE 50 2HG1 ILE 50 8.390 4.931 -16.782 404 1HG2 ILE 50 1HG2 ILE 50 10.883 5.399 -13.827 405 2HG2 ILE 50 2HG2 ILE 50 9.558 6.365 -14.484 406 3HG2 ILE 50 3HG2 ILE 50 10.860 5.885 -15.550 407 1HD1 ILE 50 1HD1 ILE 50 10.517 5.409 -17.737 408 2HD1 ILE 50 2HD1 ILE 50 10.234 3.771 -18.333 409 3HD1 ILE 50 3HD1 ILE 50 11.298 4.045 -16.937 410 H ILE 51 H ILE 51 11.867 3.449 -12.680 411 HA ILE 51 HA ILE 51 9.850 2.695 -10.599 412 HB ILE 51 HB ILE 51 12.782 2.025 -10.913 413 1HG1 ILE 51 1HG1 ILE 51 11.848 -0.067 -9.591 414 2HG1 ILE 51 2HG1 ILE 51 10.266 0.514 -9.948 415 1HG2 ILE 51 1HG2 ILE 51 12.497 1.546 -8.192 416 2HG2 ILE 51 2HG2 ILE 51 11.377 2.894 -8.412 417 3HG2 ILE 51 3HG2 ILE 51 13.095 3.074 -8.874 418 1HD1 ILE 51 1HD1 ILE 51 11.986 0.552 -12.424 419 2HD1 ILE 51 2HD1 ILE 51 10.384 -0.185 -12.133 420 3HD1 ILE 51 3HD1 ILE 51 11.870 -1.030 -11.645 421 H ARG 52 H ARG 52 9.271 4.502 -9.657 422 HA ARG 52 HA ARG 52 11.231 6.773 -9.380 423 1HB ARG 52 1HB ARG 52 8.250 6.931 -9.128 424 2HB ARG 52 2HB ARG 52 9.396 8.231 -9.364 425 1HG ARG 52 1HG ARG 52 9.768 7.650 -11.717 426 2HG ARG 52 2HG ARG 52 9.063 6.046 -11.497 427 1HD ARG 52 1HD ARG 52 7.744 7.968 -12.749 428 2HD ARG 52 2HD ARG 52 6.917 6.854 -11.667 429 HE ARG 52 HE ARG 52 7.391 8.853 -9.914 430 1HH1 ARG 52 1HH1 ARG 52 6.340 9.231 -13.344 431 2HH1 ARG 52 2HH1 ARG 52 5.565 10.729 -12.916 432 1HH2 ARG 52 1HH2 ARG 52 6.386 10.745 -9.528 433 2HH2 ARG 52 2HH2 ARG 52 5.571 11.615 -10.790 434 H THR 53 H THR 53 12.210 6.368 -7.525 435 HA THR 53 HA THR 53 10.502 6.051 -5.078 436 HB THR 53 HB THR 53 13.566 5.881 -5.361 437 HG1 THR 53 HG1 THR 53 12.769 4.147 -6.458 438 1HG2 THR 53 1HG2 THR 53 12.146 6.132 -2.994 439 2HG2 THR 53 2HG2 THR 53 13.633 5.198 -3.091 440 3HG2 THR 53 3HG2 THR 53 12.093 4.361 -3.189 441 H LEU 54 H LEU 54 9.644 7.920 -5.054 442 HA LEU 54 HA LEU 54 10.667 10.501 -5.414 443 1HB LEU 54 1HB LEU 54 8.239 9.177 -4.739 444 2HB LEU 54 2HB LEU 54 8.359 10.738 -3.971 445 HG LEU 54 HG LEU 54 9.109 10.446 -6.901 446 1HD1 LEU 54 1HD1 LEU 54 6.870 9.209 -6.179 447 2HD1 LEU 54 2HD1 LEU 54 6.954 10.139 -7.682 448 3HD1 LEU 54 3HD1 LEU 54 6.247 10.867 -6.211 449 1HD2 LEU 54 1HD2 LEU 54 9.396 12.692 -6.290 450 2HD2 LEU 54 2HD2 LEU 54 8.212 12.628 -4.979 451 3HD2 LEU 54 3HD2 LEU 54 7.680 12.776 -6.667 452 H SER 55 H SER 55 12.525 9.577 -3.613 453 HA SER 55 HA SER 55 12.079 10.426 -0.884 454 1HB SER 55 1HB SER 55 14.023 8.981 -1.658 455 2HB SER 55 2HB SER 55 14.678 10.427 -2.487 456 HG SER 55 HG SER 55 14.477 11.387 -0.285 457 H THR 56 H THR 56 12.285 12.724 -0.084 458 HA THR 56 HA THR 56 12.338 14.660 -2.300 459 HB THR 56 HB THR 56 11.662 16.366 -0.822 460 HG1 THR 56 HG1 THR 56 12.071 14.589 1.366 461 1HG2 THR 56 1HG2 THR 56 9.779 14.781 -1.280 462 2HG2 THR 56 2HG2 THR 56 9.614 15.465 0.325 463 3HG2 THR 56 3HG2 THR 56 10.248 13.796 0.136 464 H PHE 57 H PHE 57 14.240 13.614 0.517 465 HA PHE 57 HA PHE 57 16.144 15.657 0.681 466 1HB PHE 57 1HB PHE 57 15.871 13.838 2.260 467 2HB PHE 57 2HB PHE 57 16.350 12.643 1.032 468 HD1 PHE 57 HD1 PHE 57 18.419 11.709 1.713 469 HD2 PHE 57 HD2 PHE 57 17.866 15.970 2.072 470 HE1 PHE 57 HE1 PHE 57 20.807 11.965 2.432 471 HE2 PHE 57 HE2 PHE 57 20.211 16.226 2.768 472 HZ PHE 57 HZ PHE 57 21.675 14.239 2.955 473 H ARG 58 H ARG 58 15.848 12.920 -1.567 474 HA ARG 58 HA ARG 58 17.551 14.145 -3.589 475 1HB ARG 58 1HB ARG 58 19.195 13.481 -1.902 476 2HB ARG 58 2HB ARG 58 18.706 11.793 -2.083 477 1HG ARG 58 1HG ARG 58 20.734 12.277 -3.308 478 2HG ARG 58 2HG ARG 58 19.459 11.861 -4.476 479 1HD ARG 58 1HD ARG 58 19.499 14.733 -3.938 480 2HD ARG 58 2HD ARG 58 21.123 14.211 -4.375 481 HE ARG 58 HE ARG 58 18.659 13.946 -6.007 482 1HH1 ARG 58 1HH1 ARG 58 22.203 13.529 -5.789 483 2HH1 ARG 58 2HH1 ARG 58 22.390 13.340 -7.493 484 1HH2 ARG 58 1HH2 ARG 58 18.964 13.684 -8.224 485 2HH2 ARG 58 2HH2 ARG 58 20.575 13.442 -8.850 486 H ASN 59 H ASN 59 15.665 13.569 -4.788 487 HA ASN 59 HA ASN 59 14.361 11.134 -5.029 488 1HB ASN 59 1HB ASN 59 14.545 11.621 -7.659 489 2HB ASN 59 2HB ASN 59 13.408 12.496 -6.586 490 1HD2 ASN 59 1HD2 ASN 59 16.952 12.828 -7.047 491 2HD2 ASN 59 2HD2 ASN 59 16.920 14.525 -7.420 492 H TYR 60 H TYR 60 14.613 9.235 -6.127 493 HA TYR 60 HA TYR 60 17.289 8.663 -7.376 494 1HB TYR 60 1HB TYR 60 16.338 7.423 -5.048 495 2HB TYR 60 2HB TYR 60 16.055 6.249 -6.432 496 HD1 TYR 60 HD1 TYR 60 18.448 7.523 -4.109 497 HD2 TYR 60 HD2 TYR 60 18.071 5.981 -8.085 498 HE1 TYR 60 HE1 TYR 60 20.821 7.034 -4.104 499 HE2 TYR 60 HE2 TYR 60 20.492 5.452 -8.120 500 HH TYR 60 HH TYR 60 22.284 4.975 -6.014 501 H ILE 61 H ILE 61 16.360 9.156 -9.415 502 HA ILE 61 HA ILE 61 13.846 7.845 -10.237 503 HB ILE 61 HB ILE 61 15.747 9.471 -11.969 504 1HG1 ILE 61 1HG1 ILE 61 14.940 10.785 -9.951 505 2HG1 ILE 61 2HG1 ILE 61 14.395 11.459 -11.407 506 1HG2 ILE 61 1HG2 ILE 61 12.768 9.239 -12.544 507 2HG2 ILE 61 2HG2 ILE 61 13.911 7.904 -12.945 508 3HG2 ILE 61 3HG2 ILE 61 14.124 9.498 -13.635 509 1HD1 ILE 61 1HD1 ILE 61 12.059 10.403 -11.135 510 2HD1 ILE 61 2HD1 ILE 61 12.537 11.358 -9.702 511 3HD1 ILE 61 3HD1 ILE 61 12.645 9.594 -9.682 512 H MET 62 H MET 62 13.795 5.933 -11.331 513 HA MET 62 HA MET 62 16.284 5.008 -12.770 514 1HB MET 62 1HB MET 62 14.184 3.379 -11.218 515 2HB MET 62 2HB MET 62 15.443 2.670 -12.223 516 1HG MET 62 1HG MET 62 16.881 4.294 -10.397 517 2HG MET 62 2HG MET 62 15.573 3.569 -9.432 518 1HE MET 62 1HE MET 62 15.345 0.829 -11.756 519 2HE MET 62 2HE MET 62 14.767 0.971 -10.077 520 3HE MET 62 3HE MET 62 15.989 -0.256 -10.526 521 H ASP 63 H ASP 63 15.922 4.150 -14.693 522 HA ASP 63 HA ASP 63 13.169 3.811 -15.702 523 1HB ASP 63 1HB ASP 63 13.685 6.052 -16.534 524 2HB ASP 63 2HB ASP 63 15.416 5.627 -16.792 525 H PHE 64 H PHE 64 13.489 1.699 -15.731 526 HA PHE 64 HA PHE 64 15.973 0.589 -17.048 527 1HB PHE 64 1HB PHE 64 14.245 -0.184 -14.743 528 2HB PHE 64 2HB PHE 64 14.695 -1.499 -15.856 529 HD1 PHE 64 HD1 PHE 64 16.141 -2.567 -14.134 530 HD2 PHE 64 HD2 PHE 64 16.854 1.471 -15.397 531 HE1 PHE 64 HE1 PHE 64 18.341 -2.679 -13.055 532 HE2 PHE 64 HE2 PHE 64 19.124 1.380 -14.293 533 HZ PHE 64 HZ PHE 64 19.856 -0.687 -13.134 534 H GLN 65 H GLN 65 15.868 -1.422 -17.951 535 HA GLN 65 HA GLN 65 13.467 -2.045 -19.628 536 1HB GLN 65 1HB GLN 65 16.011 -1.114 -20.504 537 2HB GLN 65 2HB GLN 65 16.075 -2.828 -20.764 538 1HG GLN 65 1HG GLN 65 14.853 -2.624 -22.623 539 2HG GLN 65 2HG GLN 65 13.504 -1.904 -21.726 540 1HE2 GLN 65 1HE2 GLN 65 13.808 0.513 -21.067 541 2HE2 GLN 65 2HE2 GLN 65 14.369 1.561 -22.311 542 H VAL 66 H VAL 66 12.789 -3.686 -18.387 543 HA VAL 66 HA VAL 66 14.070 -5.443 -16.742 544 HB VAL 66 HB VAL 66 11.620 -5.850 -18.430 545 1HG1 VAL 66 1HG1 VAL 66 11.302 -7.954 -16.911 546 2HG1 VAL 66 2HG1 VAL 66 13.030 -7.812 -16.536 547 3HG1 VAL 66 3HG1 VAL 66 12.461 -8.086 -18.215 548 1HG2 VAL 66 1HG2 VAL 66 12.360 -5.222 -15.521 549 2HG2 VAL 66 2HG2 VAL 66 10.706 -5.786 -15.935 550 3HG2 VAL 66 3HG2 VAL 66 11.311 -4.287 -16.608 551 H GLY 67 H GLY 67 15.749 -6.577 -16.992 552 1HA GLY 67 1HA GLY 67 17.145 -8.320 -17.627 553 2HA GLY 67 2HA GLY 67 16.026 -8.788 -18.820 554 H LYS 68 H LYS 68 17.471 -5.445 -18.788 555 HA LYS 68 HA LYS 68 18.840 -6.327 -21.278 556 1HB LYS 68 1HB LYS 68 16.986 -4.600 -21.418 557 2HB LYS 68 2HB LYS 68 18.076 -3.487 -20.566 558 1HG LYS 68 1HG LYS 68 19.374 -4.784 -22.870 559 2HG LYS 68 2HG LYS 68 17.912 -3.870 -23.345 560 1HD LYS 68 1HD LYS 68 19.844 -2.608 -21.418 561 2HD LYS 68 2HD LYS 68 20.351 -2.650 -23.107 562 1HE LYS 68 1HE LYS 68 17.564 -1.674 -22.239 563 2HE LYS 68 2HE LYS 68 18.948 -0.524 -22.412 564 1HZ LYS 68 1HZ LYS 68 17.302 -1.866 -24.421 565 2HZ LYS 68 2HZ LYS 68 18.968 -1.735 -24.789 566 3HZ LYS 68 3HZ LYS 68 18.082 -0.378 -24.434 567 H GLU 69 H GLU 69 19.592 -5.883 -18.261 568 HA GLU 69 HA GLU 69 21.441 -5.742 -17.093 569 1HB GLU 69 1HB GLU 69 22.305 -7.158 -18.841 570 2HB GLU 69 2HB GLU 69 22.809 -5.781 -19.778 571 1HG GLU 69 1HG GLU 69 24.312 -5.036 -17.818 572 2HG GLU 69 2HG GLU 69 23.966 -6.566 -17.025 573 H PHE 70 H PHE 70 22.578 -3.989 -16.073 574 HA PHE 70 HA PHE 70 23.154 -1.577 -17.751 575 1HB PHE 70 1HB PHE 70 21.383 -1.472 -15.333 576 2HB PHE 70 2HB PHE 70 22.242 -0.071 -16.041 577 HD1 PHE 70 HD1 PHE 70 19.768 -2.821 -16.837 578 HD2 PHE 70 HD2 PHE 70 21.266 1.065 -17.924 579 HE1 PHE 70 HE1 PHE 70 17.929 -2.539 -18.454 580 HE2 PHE 70 HE2 PHE 70 19.461 1.342 -19.492 581 HZ PHE 70 HZ PHE 70 17.735 -0.448 -19.819 582 H GLU 71 H GLU 71 24.751 -0.341 -17.128 583 HA GLU 71 HA GLU 71 26.406 -1.435 -14.924 584 1HB GLU 71 1HB GLU 71 27.428 -1.694 -17.046 585 2HB GLU 71 2HB GLU 71 27.108 0.028 -17.525 586 1HG GLU 71 1HG GLU 71 28.763 0.847 -15.974 587 2HG GLU 71 2HG GLU 71 28.730 -0.648 -15.059 588 H GLU 72 H GLU 72 25.538 -0.272 -13.312 589 HA GLU 72 HA GLU 72 25.117 2.615 -13.413 590 1HB GLU 72 1HB GLU 72 24.509 0.400 -11.705 591 2HB GLU 72 2HB GLU 72 25.315 1.628 -10.758 592 1HG GLU 72 1HG GLU 72 23.751 3.368 -11.402 593 2HG GLU 72 2HG GLU 72 23.081 2.387 -12.700 594 H ASP 73 H ASP 73 26.444 4.179 -12.787 595 HA ASP 73 HA ASP 73 28.991 3.569 -11.263 596 1HB ASP 73 1HB ASP 73 28.646 5.312 -13.720 597 2HB ASP 73 2HB ASP 73 29.928 5.580 -12.498 598 H LEU 74 H LEU 74 28.038 4.292 -9.306 599 HA LEU 74 HA LEU 74 26.398 6.638 -9.025 600 1HB LEU 74 1HB LEU 74 27.354 4.469 -7.393 601 2HB LEU 74 2HB LEU 74 27.580 6.011 -6.605 602 HG LEU 74 HG LEU 74 25.248 6.638 -7.079 603 1HD1 LEU 74 1HD1 LEU 74 24.868 3.656 -7.696 604 2HD1 LEU 74 2HD1 LEU 74 24.852 4.929 -8.928 605 3HD1 LEU 74 3HD1 LEU 74 23.582 4.862 -7.666 606 1HD2 LEU 74 1HD2 LEU 74 25.816 5.838 -4.842 607 2HD2 LEU 74 2HD2 LEU 74 25.893 4.154 -5.333 608 3HD2 LEU 74 3HD2 LEU 74 24.325 4.958 -5.229 609 H THR 75 H THR 75 27.439 8.020 -6.858 610 HA THR 75 HA THR 75 30.141 8.921 -7.577 611 HB THR 75 HB THR 75 28.820 11.339 -7.511 612 HG1 THR 75 HG1 THR 75 27.611 10.617 -9.712 613 1HG2 THR 75 1HG2 THR 75 29.630 10.014 -10.215 614 2HG2 THR 75 2HG2 THR 75 30.840 10.244 -8.981 615 3HG2 THR 75 3HG2 THR 75 30.023 11.673 -9.643 616 H GLY 76 H GLY 76 27.233 10.407 -6.262 617 1HA GLY 76 1HA GLY 76 28.655 11.007 -3.733 618 2HA GLY 76 2HA GLY 76 27.091 11.665 -4.229 619 H ILE 77 H ILE 77 26.795 11.032 -1.865 620 HA ILE 77 HA ILE 77 25.536 9.933 -0.385 621 HB ILE 77 HB ILE 77 24.938 7.935 -2.618 622 1HG1 ILE 77 1HG1 ILE 77 23.284 10.216 -1.453 623 2HG1 ILE 77 2HG1 ILE 77 24.119 10.291 -2.968 624 1HG2 ILE 77 1HG2 ILE 77 24.134 6.618 -0.790 625 2HG2 ILE 77 2HG2 ILE 77 22.854 7.840 -0.650 626 3HG2 ILE 77 3HG2 ILE 77 24.308 7.948 0.347 627 1HD1 ILE 77 1HD1 ILE 77 21.685 9.809 -3.254 628 2HD1 ILE 77 2HD1 ILE 77 21.914 8.284 -2.354 629 3HD1 ILE 77 3HD1 ILE 77 22.691 8.563 -3.944 630 H ASP 78 H ASP 78 26.429 6.934 -2.001 631 HA ASP 78 HA ASP 78 28.402 6.293 0.190 632 1HB ASP 78 1HB ASP 78 27.834 4.048 0.044 633 2HB ASP 78 2HB ASP 78 26.362 4.998 0.275 634 H ASP 79 H ASP 79 27.563 5.680 -3.249 635 HA ASP 79 HA ASP 79 28.854 5.669 -5.165 636 1HB ASP 79 1HB ASP 79 30.460 6.951 -5.223 637 2HB ASP 79 2HB ASP 79 30.336 7.117 -3.467 638 H ARG 80 H ARG 80 29.231 3.993 -6.317 639 HA ARG 80 HA ARG 80 31.317 2.031 -5.941 640 1HB ARG 80 1HB ARG 80 29.521 1.392 -4.130 641 2HB ARG 80 2HB ARG 80 28.601 0.812 -5.524 642 1HG ARG 80 1HG ARG 80 30.285 -0.740 -6.124 643 2HG ARG 80 2HG ARG 80 31.532 0.119 -5.209 644 1HD ARG 80 1HD ARG 80 29.316 -1.006 -3.509 645 2HD ARG 80 2HD ARG 80 30.280 -2.214 -4.398 646 HE ARG 80 HE ARG 80 32.252 -1.310 -3.363 647 1HH1 ARG 80 1HH1 ARG 80 29.217 -0.236 -1.774 648 2HH1 ARG 80 2HH1 ARG 80 30.043 0.130 -0.295 649 1HH2 ARG 80 1HH2 ARG 80 33.205 -0.847 -1.427 650 2HH2 ARG 80 2HH2 ARG 80 32.346 -0.216 -0.052 651 H LYS 81 H LYS 81 31.594 0.840 -7.641 652 HA LYS 81 HA LYS 81 29.853 1.423 -9.993 653 1HB LYS 81 1HB LYS 81 32.605 0.030 -9.676 654 2HB LYS 81 2HB LYS 81 31.784 0.258 -11.208 655 1HG LYS 81 1HG LYS 81 32.544 2.369 -11.457 656 2HG LYS 81 2HG LYS 81 32.154 2.799 -9.778 657 1HD LYS 81 1HD LYS 81 34.460 2.919 -9.696 658 2HD LYS 81 2HD LYS 81 34.179 1.263 -9.134 659 1HE LYS 81 1HE LYS 81 35.592 0.530 -10.771 660 2HE LYS 81 2HE LYS 81 34.368 0.983 -11.984 661 1HZ LYS 81 1HZ LYS 81 36.725 1.969 -12.180 662 2HZ LYS 81 2HZ LYS 81 36.279 3.010 -10.924 663 3HZ LYS 81 3HZ LYS 81 35.397 3.004 -12.342 664 H CYS 82 H CYS 82 28.920 -0.434 -11.144 665 HA CYS 82 HA CYS 82 29.431 -3.111 -10.147 666 1HB CYS 82 1HB CYS 82 26.891 -3.351 -9.412 667 2HB CYS 82 2HB CYS 82 27.992 -2.660 -8.273 668 HG CYS 82 HG CYS 82 26.493 -0.953 -7.826 669 H MET 83 H MET 83 27.777 -4.639 -11.193 670 HA MET 83 HA MET 83 26.844 -3.459 -13.768 671 1HB MET 83 1HB MET 83 27.646 -6.355 -13.083 672 2HB MET 83 2HB MET 83 27.258 -5.699 -14.692 673 1HG MET 83 1HG MET 83 29.343 -4.229 -14.475 674 2HG MET 83 2HG MET 83 29.742 -5.008 -12.982 675 1HE MET 83 1HE MET 83 31.972 -6.050 -16.448 676 2HE MET 83 2HE MET 83 31.413 -4.546 -15.645 677 3HE MET 83 3HE MET 83 30.501 -5.243 -17.007 678 H THR 84 H THR 84 24.873 -2.924 -12.952 679 HA THR 84 HA THR 84 23.292 -4.807 -11.327 680 HB THR 84 HB THR 84 23.164 -1.981 -12.049 681 HG1 THR 84 HG1 THR 84 22.634 -3.488 -9.723 682 1HG2 THR 84 1HG2 THR 84 20.716 -3.682 -11.163 683 2HG2 THR 84 2HG2 THR 84 20.856 -2.798 -12.682 684 3HG2 THR 84 3HG2 THR 84 20.823 -1.907 -11.134 685 H THR 85 H THR 85 22.236 -6.375 -12.282 686 HA THR 85 HA THR 85 20.892 -5.833 -14.944 687 HB THR 85 HB THR 85 21.623 -8.538 -13.770 688 HG1 THR 85 HG1 THR 85 23.149 -7.968 -15.855 689 1HG2 THR 85 1HG2 THR 85 20.973 -7.587 -16.675 690 2HG2 THR 85 2HG2 THR 85 19.860 -8.478 -15.639 691 3HG2 THR 85 3HG2 THR 85 21.355 -9.259 -16.197 692 H VAL 86 H VAL 86 18.897 -5.434 -14.545 693 HA VAL 86 HA VAL 86 17.510 -6.711 -12.274 694 HB VAL 86 HB VAL 86 16.969 -4.454 -14.215 695 1HG1 VAL 86 1HG1 VAL 86 14.489 -4.473 -13.950 696 2HG1 VAL 86 2HG1 VAL 86 14.602 -5.906 -12.905 697 3HG1 VAL 86 3HG1 VAL 86 15.007 -6.065 -14.596 698 1HG2 VAL 86 1HG2 VAL 86 17.573 -4.380 -11.666 699 2HG2 VAL 86 2HG2 VAL 86 15.852 -4.612 -11.371 700 3HG2 VAL 86 3HG2 VAL 86 16.420 -3.194 -12.298 701 H SER 87 H SER 87 16.615 -8.682 -12.603 702 HA SER 87 HA SER 87 15.782 -9.405 -15.404 703 1HB SER 87 1HB SER 87 16.915 -11.740 -14.683 704 2HB SER 87 2HB SER 87 17.833 -10.410 -15.454 705 HG SER 87 HG SER 87 17.503 -10.898 -12.668 706 H TRP 88 H TRP 88 14.166 -10.732 -15.602 707 HA TRP 88 HA TRP 88 12.542 -11.459 -13.301 708 1HB TRP 88 1HB TRP 88 11.002 -12.421 -14.934 709 2HB TRP 88 2HB TRP 88 11.513 -10.782 -15.392 710 HD1 TRP 88 HD1 TRP 88 10.150 -12.406 -17.518 711 HE1 TRP 88 HE1 TRP 88 11.255 -13.120 -19.714 712 HE3 TRP 88 HE3 TRP 88 15.240 -12.241 -16.093 713 HZ2 TRP 88 HZ2 TRP 88 13.804 -13.536 -20.694 714 HZ3 TRP 88 HZ3 TRP 88 16.825 -12.816 -17.807 715 HH2 TRP 88 HH2 TRP 88 16.142 -13.457 -20.083 716 H ASP 89 H ASP 89 12.233 -13.443 -12.355 717 HA ASP 89 HA ASP 89 14.241 -15.547 -13.051 718 1HB ASP 89 1HB ASP 89 14.226 -14.716 -10.748 719 2HB ASP 89 2HB ASP 89 12.468 -14.843 -10.646 720 H GLY 90 H GLY 90 11.384 -14.534 -14.202 721 1HA GLY 90 1HA GLY 90 10.451 -16.291 -15.689 722 2HA GLY 90 2HA GLY 90 10.140 -17.245 -14.166 723 H ASP 91 H ASP 91 9.860 -14.748 -12.587 724 HA ASP 91 HA ASP 91 7.422 -13.385 -13.657 725 1HB ASP 91 1HB ASP 91 6.503 -14.027 -11.250 726 2HB ASP 91 2HB ASP 91 5.989 -14.695 -12.830 727 H LYS 92 H LYS 92 9.320 -14.110 -10.632 728 HA LYS 92 HA LYS 92 8.819 -11.630 -9.340 729 1HB LYS 92 1HB LYS 92 10.883 -13.764 -9.015 730 2HB LYS 92 2HB LYS 92 11.221 -12.189 -8.368 731 1HG LYS 92 1HG LYS 92 9.399 -12.241 -6.827 732 2HG LYS 92 2HG LYS 92 8.442 -13.309 -7.821 733 1HD LYS 92 1HD LYS 92 10.599 -14.065 -5.868 734 2HD LYS 92 2HD LYS 92 8.979 -14.716 -6.088 735 1HE LYS 92 1HE LYS 92 9.798 -15.682 -8.372 736 2HE LYS 92 2HE LYS 92 11.446 -15.385 -7.775 737 1HZ LYS 92 1HZ LYS 92 10.859 -16.704 -5.836 738 2HZ LYS 92 2HZ LYS 92 10.842 -17.587 -7.303 739 3HZ LYS 92 3HZ LYS 92 9.407 -17.121 -6.530 740 H LEU 93 H LEU 93 10.378 -9.947 -8.935 741 HA LEU 93 HA LEU 93 12.032 -9.149 -11.299 742 1HB LEU 93 1HB LEU 93 10.099 -7.673 -10.541 743 2HB LEU 93 2HB LEU 93 10.787 -7.647 -8.928 744 HG LEU 93 HG LEU 93 12.804 -6.459 -9.772 745 1HD1 LEU 93 1HD1 LEU 93 11.431 -7.011 -12.425 746 2HD1 LEU 93 2HD1 LEU 93 13.161 -7.179 -12.047 747 3HD1 LEU 93 3HD1 LEU 93 12.453 -5.558 -12.279 748 1HD2 LEU 93 1HD2 LEU 93 10.599 -5.215 -9.158 749 2HD2 LEU 93 2HD2 LEU 93 10.398 -4.904 -10.890 750 3HD2 LEU 93 3HD2 LEU 93 11.808 -4.274 -10.044 751 H GLN 94 H GLN 94 14.122 -9.580 -11.017 752 HA GLN 94 HA GLN 94 15.195 -9.452 -8.199 753 1HB GLN 94 1HB GLN 94 15.571 -11.430 -10.425 754 2HB GLN 94 2HB GLN 94 16.866 -11.167 -9.302 755 1HG GLN 94 1HG GLN 94 15.820 -12.709 -7.943 756 2HG GLN 94 2HG GLN 94 14.697 -11.424 -7.622 757 1HE2 GLN 94 1HE2 GLN 94 13.504 -11.428 -10.421 758 2HE2 GLN 94 2HE2 GLN 94 12.506 -12.885 -10.472 759 H CYS 95 H CYS 95 17.104 -8.508 -7.822 760 HA CYS 95 HA CYS 95 18.716 -7.504 -10.134 761 1HB CYS 95 1HB CYS 95 18.894 -5.578 -8.029 762 2HB CYS 95 2HB CYS 95 18.189 -5.347 -9.624 763 HG CYS 95 HG CYS 95 16.827 -4.618 -7.342 764 H VAL 96 H VAL 96 21.008 -7.109 -9.486 765 HA VAL 96 HA VAL 96 21.629 -8.586 -6.907 766 HB VAL 96 HB VAL 96 23.306 -8.882 -9.389 767 1HG1 VAL 96 1HG1 VAL 96 23.078 -10.648 -6.912 768 2HG1 VAL 96 2HG1 VAL 96 24.259 -9.364 -7.049 769 3HG1 VAL 96 3HG1 VAL 96 24.324 -10.748 -8.161 770 1HG2 VAL 96 1HG2 VAL 96 20.735 -10.265 -8.616 771 2HG2 VAL 96 2HG2 VAL 96 22.012 -11.356 -9.239 772 3HG2 VAL 96 3HG2 VAL 96 21.455 -10.005 -10.227 773 H GLN 97 H GLN 97 23.464 -6.871 -9.536 774 HA GLN 97 HA GLN 97 24.892 -5.110 -9.484 775 1HB GLN 97 1HB GLN 97 24.280 -3.355 -8.282 776 2HB GLN 97 2HB GLN 97 22.959 -4.381 -7.657 777 1HG GLN 97 1HG GLN 97 24.027 -4.658 -5.559 778 2HG GLN 97 2HG GLN 97 25.635 -4.373 -6.162 779 1HE2 GLN 97 1HE2 GLN 97 22.518 -2.576 -6.059 780 2HE2 GLN 97 2HE2 GLN 97 23.242 -1.069 -5.545 781 H LYS 98 H LYS 98 26.988 -5.762 -9.472 782 HA LYS 98 HA LYS 98 27.906 -7.370 -7.107 783 1HB LYS 98 1HB LYS 98 29.621 -8.188 -8.637 784 2HB LYS 98 2HB LYS 98 27.996 -8.532 -9.193 785 1HG LYS 98 1HG LYS 98 28.082 -6.794 -10.867 786 2HG LYS 98 2HG LYS 98 29.612 -6.128 -10.187 787 1HD LYS 98 1HD LYS 98 30.072 -7.504 -12.208 788 2HD LYS 98 2HD LYS 98 30.839 -8.078 -10.708 789 1HE LYS 98 1HE LYS 98 29.790 -9.898 -12.233 790 2HE LYS 98 2HE LYS 98 29.074 -9.918 -10.596 791 1HZ LYS 98 1HZ LYS 98 27.838 -9.552 -13.025 792 2HZ LYS 98 2HZ LYS 98 27.684 -8.084 -12.239 793 3HZ LYS 98 3HZ LYS 98 27.116 -9.463 -11.473 794 H GLY 99 H GLY 99 30.235 -7.305 -6.679 795 1HA GLY 99 1HA GLY 99 31.868 -5.057 -7.303 796 2HA GLY 99 2HA GLY 99 30.943 -4.699 -5.842 797 H GLU 100 H GLU 100 32.129 -5.053 -4.119 798 HA GLU 100 HA GLU 100 33.855 -7.547 -3.990 799 1HB GLU 100 1HB GLU 100 35.462 -6.444 -2.655 800 2HB GLU 100 2HB GLU 100 35.306 -5.926 -4.363 801 1HG GLU 100 1HG GLU 100 35.379 -3.785 -3.520 802 2HG GLU 100 2HG GLU 100 33.671 -4.104 -3.236 803 H LYS 101 H LYS 101 31.068 -6.671 -2.796 804 HA LYS 101 HA LYS 101 31.813 -7.018 0.121 805 1HB LYS 101 1HB LYS 101 30.510 -5.055 -0.966 806 2HB LYS 101 2HB LYS 101 29.134 -6.114 -0.675 807 1HG LYS 101 1HG LYS 101 29.169 -5.700 1.513 808 2HG LYS 101 2HG LYS 101 30.903 -6.125 1.646 809 1HD LYS 101 1HD LYS 101 30.341 -3.775 2.408 810 2HD LYS 101 2HD LYS 101 31.553 -3.891 1.106 811 1HE LYS 101 1HE LYS 101 29.766 -2.036 0.754 812 2HE LYS 101 2HE LYS 101 29.719 -3.257 -0.559 813 1HZ LYS 101 1HZ LYS 101 27.544 -2.649 0.597 814 2HZ LYS 101 2HZ LYS 101 28.137 -3.441 1.960 815 3HZ LYS 101 3HZ LYS 101 27.871 -4.279 0.511 816 H GLU 102 H GLU 102 30.014 -7.846 1.400 817 HA GLU 102 HA GLU 102 29.275 -10.632 0.738 818 1HB GLU 102 1HB GLU 102 30.487 -9.811 2.798 819 2HB GLU 102 2HB GLU 102 29.038 -8.867 3.220 820 1HG GLU 102 1HG GLU 102 28.153 -10.650 4.317 821 2HG GLU 102 2HG GLU 102 28.145 -11.501 2.774 822 H GLY 103 H GLY 103 27.254 -11.024 -0.015 823 1HA GLY 103 1HA GLY 103 24.875 -10.969 0.051 824 2HA GLY 103 2HA GLY 103 24.952 -9.622 1.120 825 H ARG 104 H ARG 104 24.823 -7.542 0.207 826 HA ARG 104 HA ARG 104 24.295 -5.905 -1.337 827 1HB ARG 104 1HB ARG 104 25.587 -7.696 -3.352 828 2HB ARG 104 2HB ARG 104 25.185 -5.952 -3.506 829 1HG ARG 104 1HG ARG 104 26.775 -5.323 -1.814 830 2HG ARG 104 2HG ARG 104 27.230 -7.009 -1.474 831 1HD ARG 104 1HD ARG 104 27.860 -5.171 -3.754 832 2HD ARG 104 2HD ARG 104 28.923 -6.351 -2.992 833 HE ARG 104 HE ARG 104 26.819 -6.880 -5.047 834 1HH1 ARG 104 1HH1 ARG 104 29.479 -8.180 -3.116 835 2HH1 ARG 104 2HH1 ARG 104 29.570 -9.637 -4.070 836 1HH2 ARG 104 1HH2 ARG 104 27.013 -8.807 -6.221 837 2HH2 ARG 104 2HH2 ARG 104 28.182 -10.026 -5.843 838 H GLY 105 H GLY 105 23.164 -5.336 -3.273 839 1HA GLY 105 1HA GLY 105 21.457 -5.479 -4.801 840 2HA GLY 105 2HA GLY 105 21.555 -7.273 -4.669 841 H TRP 106 H TRP 106 19.224 -5.987 -5.016 842 HA TRP 106 HA TRP 106 17.788 -6.040 -2.363 843 1HB TRP 106 1HB TRP 106 16.385 -5.021 -4.733 844 2HB TRP 106 2HB TRP 106 16.226 -4.682 -3.035 845 HD1 TRP 106 HD1 TRP 106 19.651 -3.973 -3.007 846 HE1 TRP 106 HE1 TRP 106 20.230 -1.484 -3.641 847 HE3 TRP 106 HE3 TRP 106 15.242 -2.672 -5.299 848 HZ2 TRP 106 HZ2 TRP 106 18.984 0.666 -4.916 849 HZ3 TRP 106 HZ3 TRP 106 15.004 -0.398 -6.199 850 HH2 TRP 106 HH2 TRP 106 16.825 1.240 -6.015 851 H THR 107 H THR 107 15.281 -6.555 -3.111 852 HA THR 107 HA THR 107 15.106 -8.664 -5.078 853 HB THR 107 HB THR 107 14.906 -9.301 -2.106 854 HG1 THR 107 HG1 THR 107 16.290 -11.035 -3.523 855 1HG2 THR 107 1HG2 THR 107 14.083 -11.641 -2.906 856 2HG2 THR 107 2HG2 THR 107 14.146 -11.051 -4.561 857 3HG2 THR 107 3HG2 THR 107 12.971 -10.359 -3.417 858 H GLN 108 H GLN 108 13.012 -8.373 -5.907 859 HA GLN 108 HA GLN 108 10.920 -7.333 -3.996 860 1HB GLN 108 1HB GLN 108 11.217 -6.956 -7.045 861 2HB GLN 108 2HB GLN 108 9.947 -6.297 -6.100 862 1HG GLN 108 1HG GLN 108 12.113 -5.222 -4.768 863 2HG GLN 108 2HG GLN 108 12.674 -5.347 -6.453 864 1HE2 GLN 108 1HE2 GLN 108 12.050 -3.660 -7.759 865 2HE2 GLN 108 2HE2 GLN 108 10.763 -2.522 -7.408 866 H TRP 109 H TRP 109 9.207 -8.659 -3.629 867 HA TRP 109 HA TRP 109 8.377 -10.441 -5.894 868 1HB TRP 109 1HB TRP 109 8.278 -12.351 -4.796 869 2HB TRP 109 2HB TRP 109 9.827 -11.717 -4.177 870 HD1 TRP 109 HD1 TRP 109 7.407 -9.937 -1.914 871 HE1 TRP 109 HE1 TRP 109 7.066 -11.314 0.192 872 HE3 TRP 109 HE3 TRP 109 9.364 -14.501 -3.436 873 HZ2 TRP 109 HZ2 TRP 109 7.500 -13.850 1.169 874 HZ3 TRP 109 HZ3 TRP 109 9.344 -16.341 -1.840 875 HH2 TRP 109 HH2 TRP 109 8.413 -16.041 0.493 876 H ILE 110 H ILE 110 6.029 -11.187 -5.464 877 HA ILE 110 HA ILE 110 4.654 -9.006 -3.869 878 HB ILE 110 HB ILE 110 4.049 -9.935 -6.658 879 1HG1 ILE 110 1HG1 ILE 110 4.614 -7.116 -5.595 880 2HG1 ILE 110 2HG1 ILE 110 5.918 -8.188 -5.971 881 1HG2 ILE 110 1HG2 ILE 110 1.886 -9.565 -5.514 882 2HG2 ILE 110 2HG2 ILE 110 2.187 -8.073 -6.477 883 3HG2 ILE 110 3HG2 ILE 110 2.463 -8.104 -4.733 884 1HD1 ILE 110 1HD1 ILE 110 5.230 -6.701 -7.898 885 2HD1 ILE 110 2HD1 ILE 110 3.728 -7.651 -8.029 886 3HD1 ILE 110 3HD1 ILE 110 5.266 -8.414 -8.333 887 H GLU 111 H GLU 111 3.124 -9.446 -2.664 888 HA GLU 111 HA GLU 111 1.914 -12.187 -2.504 889 1HB GLU 111 1HB GLU 111 1.708 -10.013 -0.361 890 2HB GLU 111 2HB GLU 111 1.533 -11.730 -0.143 891 1HG GLU 111 1HG GLU 111 3.853 -12.194 -0.216 892 2HG GLU 111 2HG GLU 111 4.231 -10.645 -1.010 893 H GLY 112 H GLY 112 -0.244 -11.385 -0.873 894 1HA GLY 112 1HA GLY 112 -2.093 -10.421 -2.903 895 2HA GLY 112 2HA GLY 112 -2.447 -10.847 -1.176 896 H ASP 113 H ASP 113 -1.800 -8.326 -3.397 897 HA ASP 113 HA ASP 113 -1.792 -6.036 -3.284 898 1HB ASP 113 1HB ASP 113 -4.034 -6.731 -2.270 899 2HB ASP 113 2HB ASP 113 -3.246 -6.346 -0.695 900 H GLU 114 H GLU 114 0.300 -7.723 -1.380 901 HA GLU 114 HA GLU 114 1.242 -5.254 0.065 902 1HB GLU 114 1HB GLU 114 0.893 -7.997 1.246 903 2HB GLU 114 2HB GLU 114 2.005 -6.834 1.891 904 1HG GLU 114 1HG GLU 114 -0.251 -5.215 1.694 905 2HG GLU 114 2HG GLU 114 -0.966 -6.817 1.947 906 H LEU 115 H LEU 115 2.678 -5.020 -1.547 907 HA LEU 115 HA LEU 115 4.490 -6.905 -2.581 908 1HB LEU 115 1HB LEU 115 4.152 -4.859 -3.719 909 2HB LEU 115 2HB LEU 115 4.324 -3.896 -2.294 910 HG LEU 115 HG LEU 115 6.696 -3.972 -2.306 911 1HD1 LEU 115 1HD1 LEU 115 6.188 -6.514 -3.695 912 2HD1 LEU 115 2HD1 LEU 115 7.544 -6.057 -2.635 913 3HD1 LEU 115 3HD1 LEU 115 7.615 -5.663 -4.345 914 1HD2 LEU 115 1HD2 LEU 115 6.422 -2.478 -4.055 915 2HD2 LEU 115 2HD2 LEU 115 5.333 -3.539 -4.964 916 3HD2 LEU 115 3HD2 LEU 115 7.074 -3.793 -5.092 917 H HIS 116 H HIS 116 6.438 -7.641 -1.709 918 HA HIS 116 HA HIS 116 7.234 -6.566 0.987 919 1HB HIS 116 1HB HIS 116 6.238 -8.979 0.629 920 2HB HIS 116 2HB HIS 116 7.935 -9.328 0.182 921 HD1 HIS 116 HD1 HIS 116 6.661 -6.908 2.822 922 HD2 HIS 116 HD2 HIS 116 8.887 -10.433 2.500 923 HE1 HIS 116 HE1 HIS 116 7.562 -7.349 5.181 924 HE2 HIS 116 HE2 HIS 116 8.925 -9.500 4.949 925 H LEU 117 H LEU 117 8.783 -5.199 0.362 926 HA LEU 117 HA LEU 117 10.928 -6.139 -1.509 927 1HB LEU 117 1HB LEU 117 10.199 -3.939 -2.044 928 2HB LEU 117 2HB LEU 117 9.954 -3.505 -0.416 929 HG LEU 117 HG LEU 117 12.834 -4.029 -1.095 930 1HD1 LEU 117 1HD1 LEU 117 12.396 -3.154 -3.264 931 2HD1 LEU 117 2HD1 LEU 117 12.883 -1.676 -2.380 932 3HD1 LEU 117 3HD1 LEU 117 11.181 -2.008 -2.642 933 1HD2 LEU 117 1HD2 LEU 117 12.883 -1.574 0.001 934 2HD2 LEU 117 2HD2 LEU 117 12.423 -2.949 1.027 935 3HD2 LEU 117 3HD2 LEU 117 11.189 -1.915 0.344 936 H GLU 118 H GLU 118 13.101 -6.136 -0.971 937 HA GLU 118 HA GLU 118 13.818 -5.650 1.846 938 1HB GLU 118 1HB GLU 118 14.821 -7.832 2.148 939 2HB GLU 118 2HB GLU 118 13.066 -7.982 1.736 940 1HG GLU 118 1HG GLU 118 13.726 -8.458 -0.619 941 2HG GLU 118 2HG GLU 118 15.430 -8.442 -0.087 942 H MET 119 H MET 119 15.623 -4.722 1.998 943 HA MET 119 HA MET 119 17.455 -4.693 -0.359 944 1HB MET 119 1HB MET 119 16.251 -2.599 1.242 945 2HB MET 119 2HB MET 119 18.002 -2.539 1.469 946 1HG MET 119 1HG MET 119 18.140 -1.437 -0.529 947 2HG MET 119 2HG MET 119 17.635 -2.956 -1.313 948 1HE MET 119 1HE MET 119 16.256 -0.422 -3.064 949 2HE MET 119 2HE MET 119 17.374 0.044 -1.722 950 3HE MET 119 3HE MET 119 15.696 0.698 -1.827 951 H ARG 120 H ARG 120 19.421 -5.597 -0.042 952 HA ARG 120 HA ARG 120 20.326 -5.979 2.799 953 1HB ARG 120 1HB ARG 120 20.870 -7.812 0.406 954 2HB ARG 120 2HB ARG 120 21.204 -8.140 2.081 955 1HG ARG 120 1HG ARG 120 19.117 -9.242 1.888 956 2HG ARG 120 2HG ARG 120 18.541 -7.623 2.256 957 1HD ARG 120 1HD ARG 120 17.337 -8.560 0.319 958 2HD ARG 120 2HD ARG 120 18.319 -7.179 -0.221 959 HE ARG 120 HE ARG 120 19.955 -8.609 -1.139 960 1HH1 ARG 120 1HH1 ARG 120 16.965 -10.481 -0.306 961 2HH1 ARG 120 2HH1 ARG 120 17.480 -11.716 -1.442 962 1HH2 ARG 120 1HH2 ARG 120 20.419 -10.308 -2.513 963 2HH2 ARG 120 2HH2 ARG 120 19.290 -11.645 -2.575 964 H ALA 121 H ALA 121 22.453 -6.325 3.170 965 HA ALA 121 HA ALA 121 24.603 -5.823 1.404 966 1HB ALA 121 1HB ALA 121 24.256 -3.606 1.095 967 2HB ALA 121 2HB ALA 121 25.114 -3.461 2.676 968 3HB ALA 121 3HB ALA 121 23.343 -3.401 2.641 969 H GLU 122 H GLU 122 26.440 -6.330 2.307 970 HA GLU 122 HA GLU 122 27.876 -7.292 3.826 971 1HB GLU 122 1HB GLU 122 27.468 -4.719 4.381 972 2HB GLU 122 2HB GLU 122 27.100 -5.490 5.946 973 1HG GLU 122 1HG GLU 122 29.616 -6.101 4.305 974 2HG GLU 122 2HG GLU 122 29.523 -4.802 5.500 975 H GLY 123 H GLY 123 25.101 -8.463 3.883 976 1HA GLY 123 1HA GLY 123 24.430 -10.419 5.074 977 2HA GLY 123 2HA GLY 123 25.384 -9.924 6.425 978 H VAL 124 H VAL 124 23.849 -7.070 5.995 979 HA VAL 124 HA VAL 124 21.603 -7.777 7.821 980 HB VAL 124 HB VAL 124 22.265 -5.009 6.864 981 1HG1 VAL 124 1HG1 VAL 124 20.908 -4.313 8.661 982 2HG1 VAL 124 2HG1 VAL 124 21.528 -5.600 9.709 983 3HG1 VAL 124 3HG1 VAL 124 20.280 -5.986 8.546 984 1HG2 VAL 124 1HG2 VAL 124 23.885 -4.932 8.944 985 2HG2 VAL 124 2HG2 VAL 124 24.457 -5.867 7.587 986 3HG2 VAL 124 3HG2 VAL 124 23.775 -6.729 8.949 987 H THR 125 H THR 125 19.569 -7.828 7.175 988 HA THR 125 HA THR 125 18.868 -6.881 4.419 989 HB THR 125 HB THR 125 17.876 -9.133 6.140 990 HG1 THR 125 HG1 THR 125 18.986 -10.282 4.767 991 1HG2 THR 125 1HG2 THR 125 15.828 -8.481 5.068 992 2HG2 THR 125 2HG2 THR 125 16.567 -9.384 3.707 993 3HG2 THR 125 3HG2 THR 125 16.642 -7.618 3.748 994 H CYS 126 H CYS 126 17.645 -5.052 4.456 995 HA CYS 126 HA CYS 126 15.922 -4.413 6.780 996 1HB CYS 126 1HB CYS 126 16.199 -2.229 6.262 997 2HB CYS 126 2HB CYS 126 17.715 -2.815 5.510 998 HG CYS 126 HG CYS 126 14.953 -1.560 4.442 999 H LYS 127 H LYS 127 13.628 -3.829 6.221 1000 HA LYS 127 HA LYS 127 12.664 -4.714 3.539 1001 1HB LYS 127 1HB LYS 127 11.675 -5.797 6.211 1002 2HB LYS 127 2HB LYS 127 10.930 -6.094 4.637 1003 1HG LYS 127 1HG LYS 127 13.147 -7.182 3.900 1004 2HG LYS 127 2HG LYS 127 13.708 -6.935 5.557 1005 1HD LYS 127 1HD LYS 127 11.237 -8.493 4.733 1006 2HD LYS 127 2HD LYS 127 12.834 -9.219 5.110 1007 1HE LYS 127 1HE LYS 127 12.394 -7.622 7.352 1008 2HE LYS 127 2HE LYS 127 10.748 -8.142 6.986 1009 1HZ LYS 127 1HZ LYS 127 12.919 -10.098 7.148 1010 2HZ LYS 127 2HZ LYS 127 11.237 -10.375 7.293 1011 3HZ LYS 127 3HZ LYS 127 12.104 -9.566 8.505 1012 H GLN 128 H GLN 128 10.493 -4.066 3.193 1013 HA GLN 128 HA GLN 128 9.344 -2.009 4.986 1014 1HB GLN 128 1HB GLN 128 9.986 -1.563 2.047 1015 2HB GLN 128 2HB GLN 128 8.840 -0.568 2.963 1016 1HG GLN 128 1HG GLN 128 10.488 0.664 3.726 1017 2HG GLN 128 2HG GLN 128 11.113 -0.671 4.646 1018 1HE2 GLN 128 1HE2 GLN 128 11.301 1.059 1.496 1019 2HE2 GLN 128 2HE2 GLN 128 12.821 0.438 1.013 1020 H VAL 129 H VAL 129 7.215 -2.442 5.244 1021 HA VAL 129 HA VAL 129 6.019 -4.492 3.467 1022 HB VAL 129 HB VAL 129 4.458 -3.067 5.622 1023 1HG1 VAL 129 1HG1 VAL 129 2.934 -4.742 5.135 1024 2HG1 VAL 129 2HG1 VAL 129 4.140 -6.012 5.380 1025 3HG1 VAL 129 3HG1 VAL 129 3.978 -5.180 3.805 1026 1HG2 VAL 129 1HG2 VAL 129 6.926 -4.475 6.241 1027 2HG2 VAL 129 2HG2 VAL 129 5.607 -5.592 6.639 1028 3HG2 VAL 129 3HG2 VAL 129 5.669 -3.968 7.360 1029 H PHE 130 H PHE 130 5.375 -3.787 1.605 1030 HA PHE 130 HA PHE 130 4.434 -0.993 1.263 1031 1HB PHE 130 1HB PHE 130 5.071 -3.251 -0.655 1032 2HB PHE 130 2HB PHE 130 3.996 -1.959 -1.166 1033 HD1 PHE 130 HD1 PHE 130 7.019 -1.997 1.015 1034 HD2 PHE 130 HD2 PHE 130 5.333 -0.579 -2.692 1035 HE1 PHE 130 HE1 PHE 130 9.114 -0.680 0.572 1036 HE2 PHE 130 HE2 PHE 130 7.392 0.716 -3.116 1037 HZ PHE 130 HZ PHE 130 9.263 0.664 -1.507 1038 H LYS 131 H LYS 131 2.506 -0.397 0.416 1039 HA LYS 131 HA LYS 131 0.344 -2.442 0.624 1040 1HB LYS 131 1HB LYS 131 0.466 -0.957 2.689 1041 2HB LYS 131 2HB LYS 131 0.073 0.427 1.663 1042 1HG LYS 131 1HG LYS 131 -1.962 -0.488 2.737 1043 2HG LYS 131 2HG LYS 131 -1.988 -0.695 0.946 1044 1HD LYS 131 1HD LYS 131 -1.928 -2.971 1.105 1045 2HD LYS 131 2HD LYS 131 -0.711 -2.909 2.394 1046 1HE LYS 131 1HE LYS 131 -2.520 -2.387 4.109 1047 2HE LYS 131 2HE LYS 131 -3.718 -2.389 2.785 1048 1HZ LYS 131 1HZ LYS 131 -3.423 -4.730 2.571 1049 2HZ LYS 131 2HZ LYS 131 -3.524 -4.376 4.202 1050 3HZ LYS 131 3HZ LYS 131 -2.006 -4.707 3.495 1051 H LYS 132 H LYS 132 0.423 -2.631 -1.550 1052 HA LYS 132 HA LYS 132 0.346 -0.638 -3.515 1053 1HB LYS 132 1HB LYS 132 0.011 -3.478 -3.282 1054 2HB LYS 132 2HB LYS 132 -1.339 -2.863 -4.243 1055 1HG LYS 132 1HG LYS 132 1.278 -1.748 -5.118 1056 2HG LYS 132 2HG LYS 132 1.232 -3.551 -5.149 1057 1HD LYS 132 1HD LYS 132 -1.288 -2.496 -6.159 1058 2HD LYS 132 2HD LYS 132 0.067 -1.803 -7.032 1059 1HE LYS 132 1HE LYS 132 0.672 -3.816 -7.958 1060 2HE LYS 132 2HE LYS 132 0.237 -4.768 -6.478 1061 1HZ LYS 132 1HZ LYS 132 -1.312 -3.925 -8.792 1062 2HZ LYS 132 2HZ LYS 132 -2.163 -3.955 -7.352 1063 3HZ LYS 132 3HZ LYS 132 -1.388 -5.362 -7.917 1064 H VAL 133 H VAL 133 -1.049 1.073 -3.392 1065 HA VAL 133 HA VAL 133 -3.748 0.639 -2.387 1066 HB VAL 133 HB VAL 133 -2.326 2.763 -2.264 1067 1HG1 VAL 133 1HG1 VAL 133 -2.695 2.706 -5.050 1068 2HG1 VAL 133 2HG1 VAL 133 -2.117 4.097 -4.102 1069 3HG1 VAL 133 3HG1 VAL 133 -3.836 3.932 -4.485 1070 1HG2 VAL 133 1HG2 VAL 133 -4.603 4.122 -2.364 1071 2HG2 VAL 133 2HG2 VAL 133 -4.489 2.811 -1.176 1072 3HG2 VAL 133 3HG2 VAL 133 -5.359 2.590 -2.724 1073 H HIS 134 H HIS 134 -2.238 0.464 -5.588 1074 HA HIS 134 HA HIS 134 -4.622 -0.659 -6.699 1075 1HB HIS 134 1HB HIS 134 -5.077 1.840 -6.565 1076 2HB HIS 134 2HB HIS 134 -3.911 2.029 -7.884 1077 HD1 HIS 134 HD1 HIS 134 -4.603 0.655 -10.198 1078 HD2 HIS 134 HD2 HIS 134 -7.591 1.117 -7.212 1079 HE1 HIS 134 HE1 HIS 134 -6.863 0.175 -11.341 1080 HE2 HIS 134 HE2 HIS 134 -8.603 0.461 -9.507 Start of MODEL 17 1 1H PRO 1 1H PRO 1 2.135 -8.036 -18.218 2 2H PRO 1 2H PRO 1 2.078 -8.979 -19.541 3 HA PRO 1 HA PRO 1 2.958 -10.703 -18.515 4 1HB PRO 1 1HB PRO 1 5.072 -8.763 -17.468 5 2HB PRO 1 2HB PRO 1 5.296 -10.417 -18.138 6 1HG PRO 1 1HG PRO 1 5.813 -8.524 -19.805 7 2HG PRO 1 2HG PRO 1 4.694 -9.727 -20.397 8 1HD PRO 1 1HD PRO 1 3.947 -6.947 -19.157 9 2HD PRO 1 2HD PRO 1 3.300 -7.692 -20.679 10 H VAL 2 H VAL 2 3.467 -7.874 -16.334 11 HA VAL 2 HA VAL 2 1.913 -9.321 -14.239 12 HB VAL 2 HB VAL 2 3.727 -7.890 -12.762 13 1HG1 VAL 2 1HG1 VAL 2 3.892 -10.914 -13.374 14 2HG1 VAL 2 2HG1 VAL 2 2.545 -10.209 -12.506 15 3HG1 VAL 2 3HG1 VAL 2 4.200 -10.113 -11.839 16 1HG2 VAL 2 1HG2 VAL 2 5.986 -8.734 -13.489 17 2HG2 VAL 2 2HG2 VAL 2 5.254 -7.731 -14.760 18 3HG2 VAL 2 3HG2 VAL 2 5.286 -9.501 -14.932 19 H ASP 3 H ASP 3 1.382 -7.640 -12.356 20 HA ASP 3 HA ASP 3 0.109 -5.373 -13.518 21 1HB ASP 3 1HB ASP 3 0.579 -6.164 -10.643 22 2HB ASP 3 2HB ASP 3 -0.161 -4.627 -11.094 23 H PHE 4 H PHE 4 2.389 -5.324 -10.818 24 HA PHE 4 HA PHE 4 4.121 -3.976 -10.153 25 1HB PHE 4 1HB PHE 4 4.387 -3.730 -13.088 26 2HB PHE 4 2HB PHE 4 5.200 -2.537 -12.084 27 HD1 PHE 4 HD1 PHE 4 4.373 -6.173 -12.029 28 HD2 PHE 4 HD2 PHE 4 7.412 -3.223 -11.490 29 HE1 PHE 4 HE1 PHE 4 6.040 -7.951 -11.558 30 HE2 PHE 4 HE2 PHE 4 9.102 -5.018 -11.013 31 HZ PHE 4 HZ PHE 4 8.385 -7.391 -11.054 32 H ASN 5 H ASN 5 2.855 -1.923 -12.861 33 HA ASN 5 HA ASN 5 3.019 0.599 -11.915 34 1HB ASN 5 1HB ASN 5 1.581 -0.567 -13.985 35 2HB ASN 5 2HB ASN 5 0.325 0.163 -12.947 36 1HD2 ASN 5 1HD2 ASN 5 1.623 2.350 -11.814 37 2HD2 ASN 5 2HD2 ASN 5 2.008 3.466 -13.065 38 H GLY 6 H GLY 6 2.643 1.442 -9.915 39 1HA GLY 6 1HA GLY 6 -0.179 1.271 -8.960 40 2HA GLY 6 2HA GLY 6 0.957 0.492 -7.949 41 H TYR 7 H TYR 7 0.878 1.730 -6.244 42 HA TYR 7 HA TYR 7 2.311 4.205 -6.194 43 1HB TYR 7 1HB TYR 7 -0.684 4.065 -5.399 44 2HB TYR 7 2HB TYR 7 0.401 5.364 -4.915 45 HD1 TYR 7 HD1 TYR 7 1.073 7.138 -6.658 46 HD2 TYR 7 HD2 TYR 7 -1.385 3.779 -7.749 47 HE1 TYR 7 HE1 TYR 7 0.561 8.208 -8.768 48 HE2 TYR 7 HE2 TYR 7 -1.887 4.874 -9.866 49 HH TYR 7 HH TYR 7 -1.703 7.832 -10.518 50 H TRP 8 H TRP 8 3.389 2.208 -5.118 51 HA TRP 8 HA TRP 8 2.202 1.182 -2.690 52 1HB TRP 8 1HB TRP 8 5.171 1.335 -3.349 53 2HB TRP 8 2HB TRP 8 4.334 0.203 -2.317 54 HD1 TRP 8 HD1 TRP 8 1.837 -0.103 -4.567 55 HE1 TRP 8 HE1 TRP 8 2.204 -1.606 -6.673 56 HE3 TRP 8 HE3 TRP 8 6.923 -0.212 -4.580 57 HZ2 TRP 8 HZ2 TRP 8 4.390 -2.652 -8.098 58 HZ3 TRP 8 HZ3 TRP 8 8.132 -1.450 -6.290 59 HH2 TRP 8 HH2 TRP 8 6.852 -2.696 -8.081 60 H LYS 9 H LYS 9 1.629 2.764 -1.092 61 HA LYS 9 HA LYS 9 3.403 5.040 -0.717 62 1HB LYS 9 1HB LYS 9 1.700 5.861 0.801 63 2HB LYS 9 2HB LYS 9 0.921 5.243 -0.640 64 1HG LYS 9 1HG LYS 9 -0.267 3.670 0.536 65 2HG LYS 9 2HG LYS 9 1.141 3.213 1.538 66 1HD LYS 9 1HD LYS 9 0.771 5.203 2.956 67 2HD LYS 9 2HD LYS 9 -0.547 5.729 1.861 68 1HE LYS 9 1HE LYS 9 -1.782 4.722 3.514 69 2HE LYS 9 2HE LYS 9 -1.569 3.364 2.382 70 1HZ LYS 9 1HZ LYS 9 0.575 3.358 4.251 71 2HZ LYS 9 2HZ LYS 9 -0.653 2.238 4.017 72 3HZ LYS 9 3HZ LYS 9 -0.871 3.516 5.107 73 H MET 10 H MET 10 4.093 2.030 0.030 74 HA MET 10 HA MET 10 5.484 1.149 1.533 75 1HB MET 10 1HB MET 10 7.036 2.481 1.451 76 2HB MET 10 2HB MET 10 6.043 3.914 1.848 77 1HG MET 10 1HG MET 10 6.532 1.961 4.108 78 2HG MET 10 2HG MET 10 7.946 2.781 3.473 79 1HE MET 10 1HE MET 10 5.294 3.149 6.190 80 2HE MET 10 2HE MET 10 6.289 4.463 6.878 81 3HE MET 10 3HE MET 10 7.069 2.969 6.286 82 H LEU 11 H LEU 11 5.354 0.062 3.510 83 HA LEU 11 HA LEU 11 3.200 0.963 5.391 84 1HB LEU 11 1HB LEU 11 3.177 -1.388 4.128 85 2HB LEU 11 2HB LEU 11 4.374 -1.832 5.215 86 HG LEU 11 HG LEU 11 1.602 -0.790 6.067 87 1HD1 LEU 11 1HD1 LEU 11 2.088 -3.700 6.278 88 2HD1 LEU 11 2HD1 LEU 11 2.378 -3.155 4.633 89 3HD1 LEU 11 3HD1 LEU 11 0.801 -2.889 5.373 90 1HD2 LEU 11 1HD2 LEU 11 3.849 -1.160 7.675 91 2HD2 LEU 11 2HD2 LEU 11 3.179 -2.786 7.702 92 3HD2 LEU 11 3HD2 LEU 11 2.210 -1.423 8.297 93 H SER 12 H SER 12 6.506 -0.592 5.275 94 HA SER 12 HA SER 12 7.383 1.138 7.364 95 1HB SER 12 1HB SER 12 6.901 0.220 9.319 96 2HB SER 12 2HB SER 12 5.724 -0.729 8.421 97 HG SER 12 HG SER 12 8.409 -1.363 9.046 98 H ASN 13 H ASN 13 9.455 0.700 8.139 99 HA ASN 13 HA ASN 13 11.250 -0.983 6.407 100 1HB ASN 13 1HB ASN 13 11.110 1.813 6.934 101 2HB ASN 13 2HB ASN 13 12.427 1.230 7.986 102 1HD2 ASN 13 1HD2 ASN 13 12.224 2.759 5.338 103 2HD2 ASN 13 2HD2 ASN 13 13.446 2.038 4.323 104 H GLU 14 H GLU 14 13.177 -1.741 7.614 105 HA GLU 14 HA GLU 14 12.551 -2.146 10.569 106 1HB GLU 14 1HB GLU 14 13.399 -4.114 8.527 107 2HB GLU 14 2HB GLU 14 13.830 -4.271 10.242 108 1HG GLU 14 1HG GLU 14 10.970 -3.862 9.273 109 2HG GLU 14 2HG GLU 14 11.657 -5.452 9.596 110 H ASN 15 H ASN 15 15.361 -3.425 8.923 111 HA ASN 15 HA ASN 15 17.250 -2.336 10.828 112 1HB ASN 15 1HB ASN 15 17.474 -4.113 8.460 113 2HB ASN 15 2HB ASN 15 18.850 -3.530 9.427 114 1HD2 ASN 15 1HD2 ASN 15 19.459 -5.099 10.738 115 2HD2 ASN 15 2HD2 ASN 15 18.388 -6.052 11.753 116 H PHE 16 H PHE 16 16.114 -0.048 9.317 117 HA PHE 16 HA PHE 16 17.676 0.591 7.009 118 1HB PHE 16 1HB PHE 16 15.443 1.588 7.668 119 2HB PHE 16 2HB PHE 16 16.320 2.574 8.859 120 HD1 PHE 16 HD1 PHE 16 16.921 1.613 5.223 121 HD2 PHE 16 HD2 PHE 16 16.580 4.716 8.161 122 HE1 PHE 16 HE1 PHE 16 17.416 3.324 3.447 123 HE2 PHE 16 HE2 PHE 16 17.096 6.396 6.384 124 HZ PHE 16 HZ PHE 16 17.492 5.715 4.081 125 H GLU 17 H GLU 17 18.288 1.318 10.542 126 HA GLU 17 HA GLU 17 20.424 3.143 9.929 127 1HB GLU 17 1HB GLU 17 19.470 1.887 12.476 128 2HB GLU 17 2HB GLU 17 20.987 2.818 12.383 129 1HG GLU 17 1HG GLU 17 19.939 4.800 11.906 130 2HG GLU 17 2HG GLU 17 18.563 4.054 11.142 131 H GLU 18 H GLU 18 20.058 -0.284 10.597 132 HA GLU 18 HA GLU 18 22.930 -0.844 10.992 133 1HB GLU 18 1HB GLU 18 20.462 -2.454 10.880 134 2HB GLU 18 2HB GLU 18 22.027 -3.230 10.524 135 1HG GLU 18 1HG GLU 18 22.341 -3.443 12.741 136 2HG GLU 18 2HG GLU 18 22.596 -1.717 12.842 137 H TYR 19 H TYR 19 20.538 -0.550 8.408 138 HA TYR 19 HA TYR 19 21.909 -2.081 6.404 139 1HB TYR 19 1HB TYR 19 19.551 -1.661 6.158 140 2HB TYR 19 2HB TYR 19 19.756 0.056 6.408 141 HD1 TYR 19 HD1 TYR 19 20.713 -2.614 3.802 142 HD2 TYR 19 HD2 TYR 19 19.869 1.526 4.617 143 HE1 TYR 19 HE1 TYR 19 20.788 -2.094 1.392 144 HE2 TYR 19 HE2 TYR 19 19.940 2.039 2.216 145 HH TYR 19 HH TYR 19 19.473 0.249 0.007 146 H LEU 20 H LEU 20 21.966 1.382 7.346 147 HA LEU 20 HA LEU 20 23.734 2.072 5.113 148 1HB LEU 20 1HB LEU 20 23.198 3.749 7.576 149 2HB LEU 20 2HB LEU 20 24.018 4.252 6.168 150 HG LEU 20 HG LEU 20 21.038 3.491 6.257 151 1HD1 LEU 20 1HD1 LEU 20 21.230 6.168 5.438 152 2HD1 LEU 20 2HD1 LEU 20 22.550 6.035 6.577 153 3HD1 LEU 20 3HD1 LEU 20 20.865 5.654 7.072 154 1HD2 LEU 20 1HD2 LEU 20 22.824 3.444 4.006 155 2HD2 LEU 20 2HD2 LEU 20 21.901 4.986 3.886 156 3HD2 LEU 20 3HD2 LEU 20 21.059 3.449 4.013 157 H ARG 21 H ARG 21 24.085 0.896 8.308 158 HA ARG 21 HA ARG 21 26.678 1.831 8.978 159 1HB ARG 21 1HB ARG 21 25.545 1.017 10.805 160 2HB ARG 21 2HB ARG 21 24.730 -0.226 9.853 161 1HG ARG 21 1HG ARG 21 26.099 -1.508 11.315 162 2HG ARG 21 2HG ARG 21 27.000 -1.520 9.815 163 1HD ARG 21 1HD ARG 21 27.401 0.318 12.247 164 2HD ARG 21 2HD ARG 21 28.482 -0.956 11.698 165 HE ARG 21 HE ARG 21 28.980 0.386 9.688 166 1HH1 ARG 21 1HH1 ARG 21 27.394 2.201 12.329 167 2HH1 ARG 21 2HH1 ARG 21 27.970 3.722 11.677 168 1HH2 ARG 21 1HH2 ARG 21 29.656 2.448 8.962 169 2HH2 ARG 21 2HH2 ARG 21 29.193 3.829 9.897 170 H ALA 22 H ALA 22 25.378 -1.000 7.387 171 HA ALA 22 HA ALA 22 27.758 -2.498 7.029 172 1HB ALA 22 1HB ALA 22 25.697 -3.697 6.968 173 2HB ALA 22 2HB ALA 22 26.384 -3.745 5.298 174 3HB ALA 22 3HB ALA 22 25.043 -2.609 5.696 175 H LEU 23 H LEU 23 26.389 0.200 5.401 176 HA LEU 23 HA LEU 23 27.952 -0.122 2.869 177 1HB LEU 23 1HB LEU 23 25.753 1.648 3.807 178 2HB LEU 23 2HB LEU 23 26.686 2.117 2.419 179 HG LEU 23 HG LEU 23 25.152 -0.505 2.761 180 1HD1 LEU 23 1HD1 LEU 23 23.413 0.421 1.353 181 2HD1 LEU 23 2HD1 LEU 23 24.323 1.927 1.156 182 3HD1 LEU 23 3HD1 LEU 23 23.686 1.486 2.741 183 1HD2 LEU 23 1HD2 LEU 23 25.341 -0.431 0.063 184 2HD2 LEU 23 2HD2 LEU 23 26.850 -0.813 0.940 185 3HD2 LEU 23 3HD2 LEU 23 26.586 0.819 0.353 186 H ASP 24 H ASP 24 28.289 1.168 5.997 187 HA ASP 24 HA ASP 24 29.996 2.557 6.935 188 1HB ASP 24 1HB ASP 24 31.404 2.447 4.305 189 2HB ASP 24 2HB ASP 24 31.998 2.860 5.921 190 H VAL 25 H VAL 25 27.624 3.849 5.752 191 HA VAL 25 HA VAL 25 28.726 6.249 4.384 192 HB VAL 25 HB VAL 25 25.979 5.124 4.758 193 1HG1 VAL 25 1HG1 VAL 25 26.483 8.127 4.446 194 2HG1 VAL 25 2HG1 VAL 25 25.515 7.306 5.687 195 3HG1 VAL 25 3HG1 VAL 25 24.966 7.343 4.017 196 1HG2 VAL 25 1HG2 VAL 25 27.633 5.143 2.678 197 2HG2 VAL 25 2HG2 VAL 25 26.971 6.762 2.442 198 3HG2 VAL 25 3HG2 VAL 25 25.894 5.329 2.411 199 H ASN 26 H ASN 26 28.380 8.311 5.249 200 HA ASN 26 HA ASN 26 29.171 8.734 7.964 201 1HB ASN 26 1HB ASN 26 28.303 11.148 7.377 202 2HB ASN 26 2HB ASN 26 29.898 10.374 7.203 203 1HD2 ASN 26 1HD2 ASN 26 26.872 10.883 5.325 204 2HD2 ASN 26 2HD2 ASN 26 27.701 11.047 3.779 205 H VAL 27 H VAL 27 28.207 10.031 9.556 206 HA VAL 27 HA VAL 27 25.713 8.953 10.529 207 HB VAL 27 HB VAL 27 27.317 11.299 11.550 208 1HG1 VAL 27 1HG1 VAL 27 25.782 10.535 13.686 209 2HG1 VAL 27 2HG1 VAL 27 24.702 10.090 12.369 210 3HG1 VAL 27 3HG1 VAL 27 25.278 11.770 12.556 211 1HG2 VAL 27 1HG2 VAL 27 28.185 9.800 13.191 212 2HG2 VAL 27 2HG2 VAL 27 28.378 8.910 11.667 213 3HG2 VAL 27 3HG2 VAL 27 27.081 8.463 12.777 214 H ALA 28 H ALA 28 26.574 11.857 8.809 215 HA ALA 28 HA ALA 28 24.262 13.453 9.423 216 1HB ALA 28 1HB ALA 28 26.515 14.269 8.553 217 2HB ALA 28 2HB ALA 28 25.051 15.001 7.768 218 3HB ALA 28 3HB ALA 28 25.991 13.701 6.970 219 H LEU 29 H LEU 29 25.053 11.105 6.799 220 HA LEU 29 HA LEU 29 22.620 11.720 5.382 221 1HB LEU 29 1HB LEU 29 24.609 10.934 4.214 222 2HB LEU 29 2HB LEU 29 24.573 9.390 5.026 223 HG LEU 29 HG LEU 29 22.077 10.219 3.621 224 1HD1 LEU 29 1HD1 LEU 29 22.794 9.678 1.441 225 2HD1 LEU 29 2HD1 LEU 29 24.301 8.962 1.994 226 3HD1 LEU 29 3HD1 LEU 29 24.114 10.707 2.061 227 1HD2 LEU 29 1HD2 LEU 29 21.601 7.963 4.006 228 2HD2 LEU 29 2HD2 LEU 29 23.176 7.809 4.806 229 3HD2 LEU 29 3HD2 LEU 29 23.007 7.465 3.084 230 H ARG 30 H ARG 30 23.715 9.716 7.943 231 HA ARG 30 HA ARG 30 21.592 7.675 7.912 232 1HB ARG 30 1HB ARG 30 23.995 8.446 9.549 233 2HB ARG 30 2HB ARG 30 22.704 7.534 10.347 234 1HG ARG 30 1HG ARG 30 22.831 5.724 8.759 235 2HG ARG 30 2HG ARG 30 24.027 6.579 7.807 236 1HD ARG 30 1HD ARG 30 24.478 4.713 9.779 237 2HD ARG 30 2HD ARG 30 25.709 5.796 9.134 238 HE ARG 30 HE ARG 30 25.692 7.094 11.047 239 1HH1 ARG 30 1HH1 ARG 30 22.961 4.810 11.127 240 2HH1 ARG 30 2HH1 ARG 30 22.611 5.170 12.772 241 1HH2 ARG 30 1HH2 ARG 30 25.179 7.510 13.227 242 2HH2 ARG 30 2HH2 ARG 30 23.839 6.715 14.020 243 H LYS 31 H LYS 31 22.374 10.635 9.664 244 HA LYS 31 HA LYS 31 20.251 10.591 11.571 245 1HB LYS 31 1HB LYS 31 22.342 11.928 11.722 246 2HB LYS 31 2HB LYS 31 21.840 12.900 10.346 247 1HG LYS 31 1HG LYS 31 20.055 13.932 11.437 248 2HG LYS 31 2HG LYS 31 19.985 12.740 12.763 249 1HD LYS 31 1HD LYS 31 22.511 13.638 13.120 250 2HD LYS 31 2HD LYS 31 21.837 15.075 12.399 251 1HE LYS 31 1HE LYS 31 20.428 15.416 14.316 252 2HE LYS 31 2HE LYS 31 20.200 13.647 14.511 253 1HZ LYS 31 1HZ LYS 31 22.393 13.451 15.408 254 2HZ LYS 31 2HZ LYS 31 21.511 14.591 16.276 255 3HZ LYS 31 3HZ LYS 31 22.680 15.113 15.150 256 H ILE 32 H ILE 32 20.501 12.275 8.407 257 HA ILE 32 HA ILE 32 17.927 13.518 8.635 258 HB ILE 32 HB ILE 32 19.726 12.864 6.219 259 1HG1 ILE 32 1HG1 ILE 32 20.585 14.321 8.141 260 2HG1 ILE 32 2HG1 ILE 32 20.654 15.017 6.557 261 1HG2 ILE 32 1HG2 ILE 32 17.532 13.315 5.229 262 2HG2 ILE 32 2HG2 ILE 32 18.320 14.895 5.253 263 3HG2 ILE 32 3HG2 ILE 32 17.116 14.506 6.480 264 1HD1 ILE 32 1HD1 ILE 32 19.714 16.445 8.627 265 2HD1 ILE 32 2HD1 ILE 32 18.194 15.669 8.231 266 3HD1 ILE 32 3HD1 ILE 32 19.040 16.662 7.030 267 H ALA 33 H ALA 33 19.145 10.539 7.046 268 HA ALA 33 HA ALA 33 16.753 9.976 5.543 269 1HB ALA 33 1HB ALA 33 17.727 8.024 4.868 270 2HB ALA 33 2HB ALA 33 18.573 7.815 6.443 271 3HB ALA 33 3HB ALA 33 19.130 9.023 5.234 272 H ASN 34 H ASN 34 17.811 8.945 8.804 273 HA ASN 34 HA ASN 34 15.853 6.897 9.202 274 1HB ASN 34 1HB ASN 34 16.845 6.528 11.005 275 2HB ASN 34 2HB ASN 34 17.897 7.926 10.716 276 1HD2 ASN 34 1HD2 ASN 34 15.354 6.565 12.672 277 2HD2 ASN 34 2HD2 ASN 34 14.986 7.946 13.676 278 H LEU 35 H LEU 35 15.404 10.426 9.515 279 HA LEU 35 HA LEU 35 12.837 10.061 10.881 280 1HB LEU 35 1HB LEU 35 14.328 12.435 9.967 281 2HB LEU 35 2HB LEU 35 12.604 12.520 10.401 282 HG LEU 35 HG LEU 35 14.910 11.547 12.154 283 1HD1 LEU 35 1HD1 LEU 35 15.169 13.892 11.956 284 2HD1 LEU 35 2HD1 LEU 35 14.244 13.688 13.460 285 3HD1 LEU 35 3HD1 LEU 35 13.397 14.144 11.986 286 1HD2 LEU 35 1HD2 LEU 35 13.092 11.807 14.062 287 2HD2 LEU 35 2HD2 LEU 35 12.771 10.441 12.978 288 3HD2 LEU 35 3HD2 LEU 35 11.878 11.933 12.767 289 H LEU 36 H LEU 36 13.925 10.357 7.617 290 HA LEU 36 HA LEU 36 11.146 10.914 6.606 291 1HB LEU 36 1HB LEU 36 13.804 10.643 5.242 292 2HB LEU 36 2HB LEU 36 12.392 10.775 4.352 293 HG LEU 36 HG LEU 36 13.724 12.855 6.013 294 1HD1 LEU 36 1HD1 LEU 36 13.048 14.230 3.817 295 2HD1 LEU 36 2HD1 LEU 36 12.648 12.656 3.173 296 3HD1 LEU 36 3HD1 LEU 36 14.307 12.985 3.681 297 1HD2 LEU 36 1HD2 LEU 36 11.511 14.264 5.659 298 2HD2 LEU 36 2HD2 LEU 36 11.402 12.959 6.843 299 3HD2 LEU 36 3HD2 LEU 36 10.751 12.742 5.184 300 H LYS 37 H LYS 37 10.164 9.585 4.967 301 HA LYS 37 HA LYS 37 11.165 6.826 4.503 302 1HB LYS 37 1HB LYS 37 8.319 7.245 5.334 303 2HB LYS 37 2HB LYS 37 9.257 5.738 5.173 304 1HG LYS 37 1HG LYS 37 10.728 6.683 7.125 305 2HG LYS 37 2HG LYS 37 9.387 7.791 7.404 306 1HD LYS 37 1HD LYS 37 7.868 5.694 7.530 307 2HD LYS 37 2HD LYS 37 9.326 4.730 7.495 308 1HE LYS 37 1HE LYS 37 8.938 6.905 9.630 309 2HE LYS 37 2HE LYS 37 8.340 5.264 9.898 310 1HZ LYS 37 1HZ LYS 37 11.067 6.172 10.037 311 2HZ LYS 37 2HZ LYS 37 10.862 4.763 9.128 312 3HZ LYS 37 3HZ LYS 37 10.279 4.847 10.711 313 HA PRO 38 HA PRO 38 9.383 8.262 0.753 314 1HB PRO 38 1HB PRO 38 10.438 6.486 -0.848 315 2HB PRO 38 2HB PRO 38 11.499 7.342 0.304 316 1HG PRO 38 1HG PRO 38 10.285 4.548 0.543 317 2HG PRO 38 2HG PRO 38 11.959 5.048 0.832 318 1HD PRO 38 1HD PRO 38 9.943 4.912 2.835 319 2HD PRO 38 2HD PRO 38 11.524 5.781 2.961 320 H ASP 39 H ASP 39 8.504 7.063 -1.314 321 HA ASP 39 HA ASP 39 6.326 5.113 -0.770 322 1HB ASP 39 1HB ASP 39 5.855 7.628 -2.423 323 2HB ASP 39 2HB ASP 39 4.659 6.447 -1.917 324 H LYS 40 H LYS 40 6.217 3.766 -2.572 325 HA LYS 40 HA LYS 40 8.009 4.559 -4.903 326 1HB LYS 40 1HB LYS 40 8.105 2.267 -3.201 327 2HB LYS 40 2HB LYS 40 7.526 1.726 -4.796 328 1HG LYS 40 1HG LYS 40 9.425 2.407 -5.897 329 2HG LYS 40 2HG LYS 40 9.937 3.491 -4.587 330 1HD LYS 40 1HD LYS 40 10.599 1.594 -3.172 331 2HD LYS 40 2HD LYS 40 9.794 0.450 -4.287 332 1HE LYS 40 1HE LYS 40 12.406 1.912 -4.702 333 2HE LYS 40 2HE LYS 40 12.062 0.173 -4.792 334 1HZ LYS 40 1HZ LYS 40 10.954 0.582 -6.836 335 2HZ LYS 40 2HZ LYS 40 12.517 1.249 -6.879 336 3HZ LYS 40 3HZ LYS 40 11.178 2.271 -6.709 337 H GLU 41 H GLU 41 6.845 5.131 -6.493 338 HA GLU 41 HA GLU 41 4.379 3.590 -7.276 339 1HB GLU 41 1HB GLU 41 3.476 5.569 -8.086 340 2HB GLU 41 2HB GLU 41 4.625 6.310 -6.959 341 1HG GLU 41 1HG GLU 41 4.873 7.460 -9.007 342 2HG GLU 41 2HG GLU 41 6.327 6.486 -8.847 343 H ILE 42 H ILE 42 4.545 2.379 -9.101 344 HA ILE 42 HA ILE 42 7.192 2.605 -10.590 345 HB ILE 42 HB ILE 42 5.485 0.152 -10.200 346 1HG1 ILE 42 1HG1 ILE 42 7.402 1.523 -8.487 347 2HG1 ILE 42 2HG1 ILE 42 6.406 0.127 -8.161 348 1HG2 ILE 42 1HG2 ILE 42 7.592 -1.007 -11.163 349 2HG2 ILE 42 2HG2 ILE 42 8.280 0.567 -11.517 350 3HG2 ILE 42 3HG2 ILE 42 6.818 0.030 -12.344 351 1HD1 ILE 42 1HD1 ILE 42 9.257 0.137 -9.332 352 2HD1 ILE 42 2HD1 ILE 42 8.253 -1.352 -9.201 353 3HD1 ILE 42 3HD1 ILE 42 8.746 -0.412 -7.760 354 H VAL 43 H VAL 43 7.131 1.979 -12.810 355 HA VAL 43 HA VAL 43 4.484 2.186 -14.147 356 HB VAL 43 HB VAL 43 6.822 4.171 -14.500 357 1HG1 VAL 43 1HG1 VAL 43 4.923 3.126 -16.638 358 2HG1 VAL 43 2HG1 VAL 43 6.682 3.328 -16.637 359 3HG1 VAL 43 3HG1 VAL 43 5.624 4.741 -16.751 360 1HG2 VAL 43 1HG2 VAL 43 3.787 4.276 -14.111 361 2HG2 VAL 43 2HG2 VAL 43 4.551 5.585 -15.065 362 3HG2 VAL 43 3HG2 VAL 43 4.979 5.396 -13.387 363 H GLN 44 H GLN 44 4.389 0.672 -15.523 364 HA GLN 44 HA GLN 44 6.965 -0.411 -16.709 365 1HB GLN 44 1HB GLN 44 5.361 -1.741 -14.970 366 2HB GLN 44 2HB GLN 44 4.453 -2.093 -16.411 367 1HG GLN 44 1HG GLN 44 6.384 -3.181 -17.428 368 2HG GLN 44 2HG GLN 44 7.445 -2.731 -16.112 369 1HE2 GLN 44 1HE2 GLN 44 4.036 -3.922 -15.908 370 2HE2 GLN 44 2HE2 GLN 44 4.410 -5.337 -14.978 371 H ASP 45 H ASP 45 7.112 0.459 -18.615 372 HA ASP 45 HA ASP 45 4.727 0.462 -20.386 373 1HB ASP 45 1HB ASP 45 6.462 2.435 -19.822 374 2HB ASP 45 2HB ASP 45 7.521 1.621 -21.001 375 H GLY 46 H GLY 46 4.740 -1.821 -20.726 376 1HA GLY 46 1HA GLY 46 5.224 -3.710 -21.920 377 2HA GLY 46 2HA GLY 46 6.508 -2.743 -22.808 378 H ASP 47 H ASP 47 8.578 -3.213 -22.404 379 HA ASP 47 HA ASP 47 9.140 -4.818 -19.920 380 1HB ASP 47 1HB ASP 47 11.317 -5.349 -21.104 381 2HB ASP 47 2HB ASP 47 9.807 -6.103 -21.657 382 H HIS 48 H HIS 48 9.517 -1.734 -21.357 383 HA HIS 48 HA HIS 48 12.095 -0.969 -20.175 384 1HB HIS 48 1HB HIS 48 9.883 0.452 -21.633 385 2HB HIS 48 2HB HIS 48 11.029 1.377 -20.636 386 HD1 HIS 48 HD1 HIS 48 11.266 2.135 -23.537 387 HD2 HIS 48 HD2 HIS 48 13.133 -1.288 -21.951 388 HE1 HIS 48 HE1 HIS 48 13.140 1.578 -25.150 389 HE2 HIS 48 HE2 HIS 48 14.277 -0.540 -24.146 390 H MET 49 H MET 49 12.326 -1.003 -18.068 391 HA MET 49 HA MET 49 10.087 -0.450 -16.283 392 1HB MET 49 1HB MET 49 11.820 -2.248 -16.182 393 2HB MET 49 2HB MET 49 12.942 -0.999 -15.661 394 1HG MET 49 1HG MET 49 11.335 -0.522 -13.729 395 2HG MET 49 2HG MET 49 10.318 -1.879 -14.288 396 1HE MET 49 1HE MET 49 11.309 -4.790 -13.361 397 2HE MET 49 2HE MET 49 10.188 -3.413 -12.984 398 3HE MET 49 3HE MET 49 11.310 -3.999 -11.756 399 H ILE 50 H ILE 50 9.849 1.431 -14.966 400 HA ILE 50 HA ILE 50 12.099 3.405 -15.069 401 HB ILE 50 HB ILE 50 9.118 4.127 -15.138 402 1HG1 ILE 50 1HG1 ILE 50 10.885 4.729 -17.515 403 2HG1 ILE 50 2HG1 ILE 50 10.406 3.087 -17.291 404 1HG2 ILE 50 1HG2 ILE 50 11.803 5.592 -15.109 405 2HG2 ILE 50 2HG2 ILE 50 10.342 5.986 -14.217 406 3HG2 ILE 50 3HG2 ILE 50 10.455 6.363 -15.966 407 1HD1 ILE 50 1HD1 ILE 50 8.169 3.557 -17.902 408 2HD1 ILE 50 2HD1 ILE 50 8.778 5.111 -18.465 409 3HD1 ILE 50 3HD1 ILE 50 8.131 4.925 -16.800 410 H ILE 51 H ILE 51 12.686 3.317 -12.957 411 HA ILE 51 HA ILE 51 10.490 2.889 -10.912 412 HB ILE 51 HB ILE 51 13.503 2.517 -10.894 413 1HG1 ILE 51 1HG1 ILE 51 13.080 0.276 -10.245 414 2HG1 ILE 51 2HG1 ILE 51 11.712 0.713 -9.301 415 1HG2 ILE 51 1HG2 ILE 51 13.122 3.883 -8.818 416 2HG2 ILE 51 2HG2 ILE 51 13.333 2.228 -8.306 417 3HG2 ILE 51 3HG2 ILE 51 11.690 2.905 -8.435 418 1HD1 ILE 51 1HD1 ILE 51 11.411 0.954 -12.321 419 2HD1 ILE 51 2HD1 ILE 51 10.209 0.406 -11.115 420 3HD1 ILE 51 3HD1 ILE 51 11.523 -0.676 -11.605 421 H ARG 52 H ARG 52 9.900 4.462 -9.600 422 HA ARG 52 HA ARG 52 11.609 6.884 -9.522 423 1HB ARG 52 1HB ARG 52 9.110 7.960 -9.394 424 2HB ARG 52 2HB ARG 52 10.205 7.966 -10.786 425 1HG ARG 52 1HG ARG 52 9.116 5.692 -11.464 426 2HG ARG 52 2HG ARG 52 7.971 5.998 -10.141 427 1HD ARG 52 1HD ARG 52 7.218 6.606 -12.545 428 2HD ARG 52 2HD ARG 52 6.952 7.787 -11.218 429 HE ARG 52 HE ARG 52 8.749 8.053 -13.536 430 1HH1 ARG 52 1HH1 ARG 52 7.910 9.241 -10.275 431 2HH1 ARG 52 2HH1 ARG 52 8.692 10.763 -10.612 432 1HH2 ARG 52 1HH2 ARG 52 9.706 10.013 -13.869 433 2HH2 ARG 52 2HH2 ARG 52 9.699 11.218 -12.591 434 H THR 53 H THR 53 12.252 6.244 -7.356 435 HA THR 53 HA THR 53 10.159 5.814 -5.288 436 HB THR 53 HB THR 53 13.142 6.391 -5.006 437 HG1 THR 53 HG1 THR 53 13.078 3.958 -4.828 438 1HG2 THR 53 1HG2 THR 53 11.436 6.202 -2.857 439 2HG2 THR 53 2HG2 THR 53 12.976 5.392 -2.802 440 3HG2 THR 53 3HG2 THR 53 11.549 4.445 -3.178 441 H LEU 54 H LEU 54 9.010 7.546 -4.804 442 HA LEU 54 HA LEU 54 9.825 10.251 -5.418 443 1HB LEU 54 1HB LEU 54 7.370 9.033 -4.452 444 2HB LEU 54 2HB LEU 54 7.674 10.791 -4.357 445 HG LEU 54 HG LEU 54 8.525 9.660 -6.891 446 1HD1 LEU 54 1HD1 LEU 54 6.508 8.175 -6.276 447 2HD1 LEU 54 2HD1 LEU 54 6.415 8.998 -7.846 448 3HD1 LEU 54 3HD1 LEU 54 5.468 9.612 -6.497 449 1HD2 LEU 54 1HD2 LEU 54 6.836 11.971 -5.945 450 2HD2 LEU 54 2HD2 LEU 54 6.880 11.593 -7.692 451 3HD2 LEU 54 3HD2 LEU 54 8.373 12.011 -6.780 452 H SER 55 H SER 55 11.707 9.778 -3.901 453 HA SER 55 HA SER 55 11.167 10.470 -1.080 454 1HB SER 55 1HB SER 55 13.569 9.643 -2.744 455 2HB SER 55 2HB SER 55 13.942 10.624 -1.332 456 HG SER 55 HG SER 55 13.971 8.539 -0.732 457 H THR 56 H THR 56 10.313 12.700 -1.564 458 HA THR 56 HA THR 56 11.901 14.617 -3.146 459 HB THR 56 HB THR 56 10.288 15.944 -3.005 460 HG1 THR 56 HG1 THR 56 9.664 16.621 -0.689 461 1HG2 THR 56 1HG2 THR 56 8.076 15.237 -2.217 462 2HG2 THR 56 2HG2 THR 56 8.763 14.351 -0.825 463 3HG2 THR 56 3HG2 THR 56 8.897 13.717 -2.462 464 H PHE 57 H PHE 57 13.840 14.991 -2.657 465 HA PHE 57 HA PHE 57 14.979 16.554 -0.812 466 1HB PHE 57 1HB PHE 57 14.247 15.220 1.137 467 2HB PHE 57 2HB PHE 57 14.788 13.746 0.330 468 HD1 PHE 57 HD1 PHE 57 17.098 13.011 0.799 469 HD2 PHE 57 HD2 PHE 57 15.983 16.984 1.885 470 HE1 PHE 57 HE1 PHE 57 19.212 13.230 1.991 471 HE2 PHE 57 HE2 PHE 57 18.141 17.246 3.104 472 HZ PHE 57 HZ PHE 57 19.747 15.383 3.165 473 H ARG 58 H ARG 58 15.496 13.115 -1.566 474 HA ARG 58 HA ARG 58 17.548 13.720 -3.609 475 1HB ARG 58 1HB ARG 58 18.743 13.743 -1.488 476 2HB ARG 58 2HB ARG 58 18.099 12.157 -1.035 477 1HG ARG 58 1HG ARG 58 20.473 12.192 -1.904 478 2HG ARG 58 2HG ARG 58 19.381 10.986 -2.666 479 1HD ARG 58 1HD ARG 58 20.777 12.230 -4.323 480 2HD ARG 58 2HD ARG 58 19.061 12.268 -4.624 481 HE ARG 58 HE ARG 58 19.675 14.508 -2.987 482 1HH1 ARG 58 1HH1 ARG 58 20.126 13.373 -6.214 483 2HH1 ARG 58 2HH1 ARG 58 20.171 14.936 -6.984 484 1HH2 ARG 58 1HH2 ARG 58 19.719 16.656 -3.896 485 2HH2 ARG 58 2HH2 ARG 58 19.948 16.813 -5.618 486 H ASN 59 H ASN 59 15.673 12.879 -4.695 487 HA ASN 59 HA ASN 59 14.676 10.166 -4.436 488 1HB ASN 59 1HB ASN 59 14.894 11.032 -7.211 489 2HB ASN 59 2HB ASN 59 13.468 10.537 -6.279 490 1HD2 ASN 59 1HD2 ASN 59 12.450 12.248 -4.856 491 2HD2 ASN 59 2HD2 ASN 59 12.530 13.884 -5.348 492 H TYR 60 H TYR 60 14.719 8.748 -6.309 493 HA TYR 60 HA TYR 60 17.468 7.840 -7.092 494 1HB TYR 60 1HB TYR 60 14.862 6.335 -6.690 495 2HB TYR 60 2HB TYR 60 16.344 5.673 -7.559 496 HD1 TYR 60 HD1 TYR 60 18.501 5.629 -6.516 497 HD2 TYR 60 HD2 TYR 60 14.976 6.279 -4.152 498 HE1 TYR 60 HE1 TYR 60 19.777 5.010 -4.534 499 HE2 TYR 60 HE2 TYR 60 16.233 5.668 -2.164 500 HH TYR 60 HH TYR 60 18.241 4.658 -1.415 501 H ILE 61 H ILE 61 15.468 6.317 -9.056 502 HA ILE 61 HA ILE 61 14.241 6.961 -10.819 503 HB ILE 61 HB ILE 61 15.922 9.470 -11.156 504 1HG1 ILE 61 1HG1 ILE 61 12.942 9.540 -10.599 505 2HG1 ILE 61 2HG1 ILE 61 13.974 9.211 -9.256 506 1HG2 ILE 61 1HG2 ILE 61 13.930 7.996 -12.807 507 2HG2 ILE 61 2HG2 ILE 61 15.191 9.141 -13.303 508 3HG2 ILE 61 3HG2 ILE 61 13.627 9.756 -12.731 509 1HD1 ILE 61 1HD1 ILE 61 14.993 11.371 -9.213 510 2HD1 ILE 61 2HD1 ILE 61 13.395 11.790 -9.834 511 3HD1 ILE 61 3HD1 ILE 61 14.763 11.619 -10.928 512 H MET 62 H MET 62 14.665 5.759 -12.441 513 HA MET 62 HA MET 62 17.125 5.727 -13.984 514 1HB MET 62 1HB MET 62 15.939 3.142 -12.749 515 2HB MET 62 2HB MET 62 17.379 3.228 -13.742 516 1HG MET 62 1HG MET 62 17.421 4.767 -11.187 517 2HG MET 62 2HG MET 62 17.411 2.984 -11.085 518 1HE MET 62 1HE MET 62 21.199 3.133 -10.703 519 2HE MET 62 2HE MET 62 19.782 2.076 -10.633 520 3HE MET 62 3HE MET 62 19.714 3.645 -9.799 521 H ASP 63 H ASP 63 16.730 4.141 -15.752 522 HA ASP 63 HA ASP 63 13.843 4.033 -16.559 523 1HB ASP 63 1HB ASP 63 16.253 5.319 -17.836 524 2HB ASP 63 2HB ASP 63 15.073 4.556 -18.942 525 H PHE 64 H PHE 64 14.750 1.867 -15.432 526 HA PHE 64 HA PHE 64 16.729 0.281 -16.764 527 1HB PHE 64 1HB PHE 64 14.585 -0.018 -14.732 528 2HB PHE 64 2HB PHE 64 14.977 -1.528 -15.611 529 HD1 PHE 64 HD1 PHE 64 17.544 1.118 -15.182 530 HD2 PHE 64 HD2 PHE 64 15.940 -2.530 -13.528 531 HE1 PHE 64 HE1 PHE 64 19.553 0.899 -13.797 532 HE2 PHE 64 HE2 PHE 64 17.948 -2.746 -12.156 533 HZ PHE 64 HZ PHE 64 19.748 -1.067 -12.273 534 H GLN 65 H GLN 65 16.429 -1.785 -17.692 535 HA GLN 65 HA GLN 65 14.039 -2.293 -19.419 536 1HB GLN 65 1HB GLN 65 16.901 -2.620 -20.405 537 2HB GLN 65 2HB GLN 65 15.412 -2.814 -21.288 538 1HG GLN 65 1HG GLN 65 14.918 -0.324 -20.930 539 2HG GLN 65 2HG GLN 65 16.514 -0.097 -20.215 540 1HE2 GLN 65 1HE2 GLN 65 15.763 1.245 -22.668 541 2HE2 GLN 65 2HE2 GLN 65 16.796 0.621 -23.914 542 H VAL 66 H VAL 66 13.337 -4.314 -19.086 543 HA VAL 66 HA VAL 66 14.697 -6.010 -17.260 544 HB VAL 66 HB VAL 66 12.193 -6.011 -18.805 545 1HG1 VAL 66 1HG1 VAL 66 13.109 -8.087 -19.752 546 2HG1 VAL 66 2HG1 VAL 66 11.872 -8.473 -18.509 547 3HG1 VAL 66 3HG1 VAL 66 13.563 -8.662 -18.116 548 1HG2 VAL 66 1HG2 VAL 66 11.431 -6.057 -16.633 549 2HG2 VAL 66 2HG2 VAL 66 13.082 -6.109 -16.026 550 3HG2 VAL 66 3HG2 VAL 66 12.253 -7.628 -16.323 551 H GLY 67 H GLY 67 16.086 -7.692 -17.636 552 1HA GLY 67 1HA GLY 67 17.149 -9.472 -18.730 553 2HA GLY 67 2HA GLY 67 16.347 -9.041 -20.213 554 H LYS 68 H LYS 68 17.395 -6.148 -19.536 555 HA LYS 68 HA LYS 68 19.883 -6.457 -21.116 556 1HB LYS 68 1HB LYS 68 18.132 -4.220 -20.331 557 2HB LYS 68 2HB LYS 68 19.779 -3.858 -20.801 558 1HG LYS 68 1HG LYS 68 18.638 -5.736 -22.750 559 2HG LYS 68 2HG LYS 68 17.477 -4.448 -22.471 560 1HD LYS 68 1HD LYS 68 19.548 -2.818 -22.800 561 2HD LYS 68 2HD LYS 68 20.360 -4.266 -23.362 562 1HE LYS 68 1HE LYS 68 19.175 -2.759 -25.152 563 2HE LYS 68 2HE LYS 68 18.933 -4.520 -25.266 564 1HZ LYS 68 1HZ LYS 68 16.834 -3.027 -25.384 565 2HZ LYS 68 2HZ LYS 68 17.021 -2.834 -23.731 566 3HZ LYS 68 3HZ LYS 68 16.822 -4.377 -24.344 567 H GLU 69 H GLU 69 21.916 -6.321 -20.221 568 HA GLU 69 HA GLU 69 22.167 -6.005 -17.328 569 1HB GLU 69 1HB GLU 69 23.628 -7.540 -18.587 570 2HB GLU 69 2HB GLU 69 24.345 -6.202 -19.465 571 1HG GLU 69 1HG GLU 69 24.786 -5.316 -16.957 572 2HG GLU 69 2HG GLU 69 24.714 -7.056 -16.643 573 H PHE 70 H PHE 70 22.444 -4.257 -16.248 574 HA PHE 70 HA PHE 70 23.250 -1.758 -17.691 575 1HB PHE 70 1HB PHE 70 20.954 -2.373 -15.912 576 2HB PHE 70 2HB PHE 70 21.784 -0.877 -15.507 577 HD1 PHE 70 HD1 PHE 70 20.809 1.021 -16.417 578 HD2 PHE 70 HD2 PHE 70 20.702 -2.647 -18.669 579 HE1 PHE 70 HE1 PHE 70 19.533 2.167 -18.175 580 HE2 PHE 70 HE2 PHE 70 19.404 -1.538 -20.474 581 HZ PHE 70 HZ PHE 70 18.830 0.872 -20.212 582 H GLU 71 H GLU 71 23.566 -0.049 -15.462 583 HA GLU 71 HA GLU 71 25.213 -1.376 -13.473 584 1HB GLU 71 1HB GLU 71 27.232 -0.222 -14.053 585 2HB GLU 71 2HB GLU 71 26.656 -1.267 -15.420 586 1HG GLU 71 1HG GLU 71 25.564 0.909 -16.393 587 2HG GLU 71 2HG GLU 71 26.491 1.785 -15.177 588 H GLU 72 H GLU 72 24.573 -0.437 -11.711 589 HA GLU 72 HA GLU 72 23.261 2.183 -11.800 590 1HB GLU 72 1HB GLU 72 23.857 0.274 -9.606 591 2HB GLU 72 2HB GLU 72 23.094 1.871 -9.333 592 1HG GLU 72 1HG GLU 72 21.432 1.100 -11.202 593 2HG GLU 72 2HG GLU 72 22.089 -0.514 -10.886 594 H ASP 73 H ASP 73 24.511 3.949 -12.052 595 HA ASP 73 HA ASP 73 27.267 4.310 -11.253 596 1HB ASP 73 1HB ASP 73 26.682 6.731 -11.398 597 2HB ASP 73 2HB ASP 73 26.633 5.725 -12.866 598 H LEU 74 H LEU 74 24.179 4.752 -9.582 599 HA LEU 74 HA LEU 74 23.731 5.043 -7.370 600 1HB LEU 74 1HB LEU 74 26.242 3.795 -7.390 601 2HB LEU 74 2HB LEU 74 26.271 5.078 -6.183 602 HG LEU 74 HG LEU 74 25.490 2.992 -5.171 603 1HD1 LEU 74 1HD1 LEU 74 23.066 4.703 -5.192 604 2HD1 LEU 74 2HD1 LEU 74 24.617 5.400 -4.623 605 3HD1 LEU 74 3HD1 LEU 74 23.915 3.932 -3.848 606 1HD2 LEU 74 1HD2 LEU 74 24.378 1.846 -7.029 607 2HD2 LEU 74 2HD2 LEU 74 23.192 3.129 -7.225 608 3HD2 LEU 74 3HD2 LEU 74 23.170 2.112 -5.783 609 H THR 75 H THR 75 26.934 6.483 -7.280 610 HA THR 75 HA THR 75 27.476 8.365 -5.976 611 HB THR 75 HB THR 75 26.748 9.750 -8.546 612 HG1 THR 75 HG1 THR 75 28.613 8.744 -9.407 613 1HG2 THR 75 1HG2 THR 75 29.450 10.196 -7.765 614 2HG2 THR 75 2HG2 THR 75 28.637 10.021 -6.229 615 3HG2 THR 75 3HG2 THR 75 28.104 11.292 -7.363 616 H GLY 76 H GLY 76 25.894 8.512 -4.421 617 1HA GLY 76 1HA GLY 76 24.594 11.018 -4.313 618 2HA GLY 76 2HA GLY 76 23.373 9.752 -4.736 619 H ILE 77 H ILE 77 23.911 7.621 -3.307 620 HA ILE 77 HA ILE 77 24.070 8.451 -0.439 621 HB ILE 77 HB ILE 77 22.305 6.483 -1.904 622 1HG1 ILE 77 1HG1 ILE 77 21.945 8.983 -0.368 623 2HG1 ILE 77 2HG1 ILE 77 21.035 8.380 -1.695 624 1HG2 ILE 77 1HG2 ILE 77 23.533 5.518 0.332 625 2HG2 ILE 77 2HG2 ILE 77 21.756 5.328 0.163 626 3HG2 ILE 77 3HG2 ILE 77 22.408 6.590 1.192 627 1HD1 ILE 77 1HD1 ILE 77 19.469 8.218 0.099 628 2HD1 ILE 77 2HD1 ILE 77 20.697 7.702 1.299 629 3HD1 ILE 77 3HD1 ILE 77 20.099 6.590 0.049 630 H ASP 78 H ASP 78 26.194 7.828 0.085 631 HA ASP 78 HA ASP 78 27.827 6.362 0.644 632 1HB ASP 78 1HB ASP 78 27.308 4.308 0.924 633 2HB ASP 78 2HB ASP 78 25.802 4.517 0.036 634 H ASP 79 H ASP 79 26.773 5.920 -2.769 635 HA ASP 79 HA ASP 79 27.801 6.314 -4.752 636 1HB ASP 79 1HB ASP 79 30.379 7.235 -3.677 637 2HB ASP 79 2HB ASP 79 29.381 7.796 -5.022 638 H ARG 80 H ARG 80 27.976 4.324 -5.633 639 HA ARG 80 HA ARG 80 30.664 3.231 -5.785 640 1HB ARG 80 1HB ARG 80 30.312 2.159 -3.765 641 2HB ARG 80 2HB ARG 80 28.601 1.823 -4.062 642 1HG ARG 80 1HG ARG 80 29.238 0.256 -5.899 643 2HG ARG 80 2HG ARG 80 30.939 0.499 -5.470 644 1HD ARG 80 1HD ARG 80 29.727 -1.579 -4.435 645 2HD ARG 80 2HD ARG 80 30.799 -0.558 -3.449 646 HE ARG 80 HE ARG 80 28.959 0.278 -2.269 647 1HH1 ARG 80 1HH1 ARG 80 27.797 -1.795 -4.915 648 2HH1 ARG 80 2HH1 ARG 80 26.198 -1.889 -4.313 649 1HH2 ARG 80 1HH2 ARG 80 26.753 0.084 -1.486 650 2HH2 ARG 80 2HH2 ARG 80 25.624 -0.859 -2.436 651 H LYS 81 H LYS 81 30.870 2.599 -7.835 652 HA LYS 81 HA LYS 81 28.440 2.228 -9.499 653 1HB LYS 81 1HB LYS 81 29.938 2.209 -11.338 654 2HB LYS 81 2HB LYS 81 30.637 3.324 -10.224 655 1HG LYS 81 1HG LYS 81 31.578 0.389 -10.152 656 2HG LYS 81 2HG LYS 81 32.182 1.530 -11.379 657 1HD LYS 81 1HD LYS 81 32.571 3.105 -9.282 658 2HD LYS 81 2HD LYS 81 32.529 1.607 -8.387 659 1HE LYS 81 1HE LYS 81 34.355 0.690 -10.103 660 2HE LYS 81 2HE LYS 81 34.538 2.347 -10.615 661 1HZ LYS 81 1HZ LYS 81 35.058 2.920 -8.295 662 2HZ LYS 81 2HZ LYS 81 36.116 1.790 -8.911 663 3HZ LYS 81 3HZ LYS 81 34.900 1.299 -7.822 664 H CYS 82 H CYS 82 27.978 0.164 -10.453 665 HA CYS 82 HA CYS 82 29.377 -2.233 -9.372 666 1HB CYS 82 1HB CYS 82 26.303 -2.248 -9.492 667 2HB CYS 82 2HB CYS 82 27.382 -3.290 -8.586 668 HG CYS 82 HG CYS 82 26.110 -2.131 -6.804 669 H MET 83 H MET 83 27.693 -4.109 -10.393 670 HA MET 83 HA MET 83 27.227 -3.506 -13.282 671 1HB MET 83 1HB MET 83 28.503 -6.033 -12.082 672 2HB MET 83 2HB MET 83 28.227 -5.764 -13.814 673 1HG MET 83 1HG MET 83 29.996 -3.708 -12.522 674 2HG MET 83 2HG MET 83 30.687 -5.314 -12.579 675 1HE MET 83 1HE MET 83 30.742 -6.286 -16.245 676 2HE MET 83 2HE MET 83 30.982 -6.668 -14.537 677 3HE MET 83 3HE MET 83 32.241 -5.722 -15.411 678 H THR 84 H THR 84 25.122 -3.389 -12.955 679 HA THR 84 HA THR 84 23.727 -5.426 -11.315 680 HB THR 84 HB THR 84 23.376 -2.618 -11.923 681 HG1 THR 84 HG1 THR 84 23.496 -2.728 -9.804 682 1HG2 THR 84 1HG2 THR 84 21.166 -3.628 -12.799 683 2HG2 THR 84 2HG2 THR 84 20.960 -2.721 -11.283 684 3HG2 THR 84 3HG2 THR 84 21.026 -4.482 -11.235 685 H THR 85 H THR 85 22.379 -6.829 -12.224 686 HA THR 85 HA THR 85 21.305 -6.334 -14.995 687 HB THR 85 HB THR 85 21.580 -9.105 -13.787 688 HG1 THR 85 HG1 THR 85 23.634 -8.902 -13.929 689 1HG2 THR 85 1HG2 THR 85 20.255 -8.622 -15.918 690 2HG2 THR 85 2HG2 THR 85 21.641 -9.708 -16.292 691 3HG2 THR 85 3HG2 THR 85 21.719 -7.989 -16.698 692 H VAL 86 H VAL 86 19.179 -6.356 -15.084 693 HA VAL 86 HA VAL 86 17.705 -7.056 -12.554 694 HB VAL 86 HB VAL 86 17.545 -4.850 -14.301 695 1HG1 VAL 86 1HG1 VAL 86 16.567 -6.362 -16.085 696 2HG1 VAL 86 2HG1 VAL 86 15.469 -5.062 -15.557 697 3HG1 VAL 86 3HG1 VAL 86 15.255 -6.744 -14.980 698 1HG2 VAL 86 1HG2 VAL 86 15.030 -4.898 -13.179 699 2HG2 VAL 86 2HG2 VAL 86 16.499 -4.453 -12.247 700 3HG2 VAL 86 3HG2 VAL 86 15.842 -6.110 -12.184 701 H SER 87 H SER 87 16.029 -8.666 -12.841 702 HA SER 87 HA SER 87 15.753 -10.133 -15.415 703 1HB SER 87 1HB SER 87 17.248 -11.168 -12.997 704 2HB SER 87 2HB SER 87 16.264 -12.282 -13.910 705 HG SER 87 HG SER 87 17.530 -11.137 -15.774 706 H TRP 88 H TRP 88 14.156 -11.799 -15.377 707 HA TRP 88 HA TRP 88 12.246 -11.561 -13.084 708 1HB TRP 88 1HB TRP 88 10.406 -11.743 -14.500 709 2HB TRP 88 2HB TRP 88 11.439 -10.563 -15.353 710 HD1 TRP 88 HD1 TRP 88 9.879 -14.009 -15.501 711 HE1 TRP 88 HE1 TRP 88 10.167 -15.089 -17.855 712 HE3 TRP 88 HE3 TRP 88 13.147 -10.637 -17.543 713 HZ2 TRP 88 HZ2 TRP 88 11.609 -14.538 -20.230 714 HZ3 TRP 88 HZ3 TRP 88 13.961 -10.962 -19.836 715 HH2 TRP 88 HH2 TRP 88 13.205 -12.893 -21.168 716 H ASP 89 H ASP 89 11.492 -13.338 -12.207 717 HA ASP 89 HA ASP 89 12.641 -15.943 -13.163 718 1HB ASP 89 1HB ASP 89 13.091 -15.250 -10.704 719 2HB ASP 89 2HB ASP 89 11.346 -15.069 -10.514 720 H GLY 90 H GLY 90 9.806 -14.457 -11.658 721 1HA GLY 90 1HA GLY 90 8.058 -15.589 -13.709 722 2HA GLY 90 2HA GLY 90 7.744 -16.235 -12.010 723 H ASP 91 H ASP 91 6.249 -15.099 -10.897 724 HA ASP 91 HA ASP 91 5.279 -12.504 -11.803 725 1HB ASP 91 1HB ASP 91 3.842 -12.505 -10.002 726 2HB ASP 91 2HB ASP 91 3.894 -14.177 -10.637 727 H LYS 92 H LYS 92 7.948 -13.524 -9.738 728 HA LYS 92 HA LYS 92 7.997 -10.987 -8.258 729 1HB LYS 92 1HB LYS 92 10.322 -12.833 -8.236 730 2HB LYS 92 2HB LYS 92 9.621 -11.909 -6.942 731 1HG LYS 92 1HG LYS 92 7.528 -13.499 -7.073 732 2HG LYS 92 2HG LYS 92 8.547 -14.505 -8.127 733 1HD LYS 92 1HD LYS 92 9.373 -13.701 -5.280 734 2HD LYS 92 2HD LYS 92 8.636 -15.212 -5.739 735 1HE LYS 92 1HE LYS 92 10.530 -15.869 -7.056 736 2HE LYS 92 2HE LYS 92 11.190 -14.202 -7.134 737 1HZ LYS 92 1HZ LYS 92 11.611 -14.284 -4.754 738 2HZ LYS 92 2HZ LYS 92 12.478 -15.419 -5.602 739 3HZ LYS 92 3HZ LYS 92 11.127 -15.907 -4.712 740 H LEU 93 H LEU 93 10.582 -10.302 -8.217 741 HA LEU 93 HA LEU 93 11.739 -10.299 -10.889 742 1HB LEU 93 1HB LEU 93 10.003 -8.402 -10.749 743 2HB LEU 93 2HB LEU 93 10.926 -7.661 -9.496 744 HG LEU 93 HG LEU 93 11.360 -6.542 -11.578 745 1HD1 LEU 93 1HD1 LEU 93 13.870 -8.313 -11.081 746 2HD1 LEU 93 2HD1 LEU 93 13.415 -6.894 -10.109 747 3HD1 LEU 93 3HD1 LEU 93 13.845 -6.706 -11.798 748 1HD2 LEU 93 1HD2 LEU 93 11.698 -9.375 -12.650 749 2HD2 LEU 93 2HD2 LEU 93 12.571 -8.034 -13.460 750 3HD2 LEU 93 3HD2 LEU 93 10.802 -8.058 -13.355 751 H GLN 94 H GLN 94 13.761 -10.559 -10.581 752 HA GLN 94 HA GLN 94 14.928 -10.106 -7.833 753 1HB GLN 94 1HB GLN 94 15.684 -11.955 -10.097 754 2HB GLN 94 2HB GLN 94 16.682 -11.697 -8.688 755 1HG GLN 94 1HG GLN 94 13.893 -12.317 -7.976 756 2HG GLN 94 2HG GLN 94 14.697 -13.634 -8.799 757 1HE2 GLN 94 1HE2 GLN 94 13.788 -13.810 -6.126 758 2HE2 GLN 94 2HE2 GLN 94 15.215 -13.944 -5.097 759 H CYS 95 H CYS 95 17.143 -9.461 -7.715 760 HA CYS 95 HA CYS 95 18.317 -8.123 -10.109 761 1HB CYS 95 1HB CYS 95 17.292 -6.269 -9.088 762 2HB CYS 95 2HB CYS 95 17.674 -6.882 -7.434 763 HG CYS 95 HG CYS 95 19.737 -5.887 -7.137 764 H VAL 96 H VAL 96 20.426 -8.411 -10.219 765 HA VAL 96 HA VAL 96 21.841 -9.612 -7.839 766 HB VAL 96 HB VAL 96 22.189 -10.274 -10.787 767 1HG1 VAL 96 1HG1 VAL 96 24.122 -10.417 -8.521 768 2HG1 VAL 96 2HG1 VAL 96 24.483 -10.370 -10.246 769 3HG1 VAL 96 3HG1 VAL 96 23.978 -11.903 -9.531 770 1HG2 VAL 96 1HG2 VAL 96 21.864 -12.180 -8.433 771 2HG2 VAL 96 2HG2 VAL 96 21.578 -12.501 -10.155 772 3HG2 VAL 96 3HG2 VAL 96 20.440 -11.512 -9.253 773 H GLN 97 H GLN 97 22.497 -7.595 -7.127 774 HA GLN 97 HA GLN 97 23.960 -5.748 -8.887 775 1HB GLN 97 1HB GLN 97 22.194 -5.037 -7.394 776 2HB GLN 97 2HB GLN 97 23.071 -5.644 -5.975 777 1HG GLN 97 1HG GLN 97 24.388 -3.773 -5.811 778 2HG GLN 97 2HG GLN 97 24.730 -3.778 -7.535 779 1HE2 GLN 97 1HE2 GLN 97 24.187 -1.727 -8.191 780 2HE2 GLN 97 2HE2 GLN 97 22.705 -0.854 -7.847 781 H LYS 98 H LYS 98 25.700 -7.443 -9.148 782 HA LYS 98 HA LYS 98 27.490 -8.185 -6.988 783 1HB LYS 98 1HB LYS 98 27.136 -9.397 -9.157 784 2HB LYS 98 2HB LYS 98 28.054 -8.119 -9.953 785 1HG LYS 98 1HG LYS 98 29.966 -8.522 -8.428 786 2HG LYS 98 2HG LYS 98 29.027 -9.844 -7.656 787 1HD LYS 98 1HD LYS 98 28.832 -10.929 -9.955 788 2HD LYS 98 2HD LYS 98 29.980 -9.727 -10.530 789 1HE LYS 98 1HE LYS 98 31.456 -11.481 -9.935 790 2HE LYS 98 2HE LYS 98 31.453 -10.617 -8.368 791 1HZ LYS 98 1HZ LYS 98 29.710 -12.951 -8.985 792 2HZ LYS 98 2HZ LYS 98 29.703 -12.070 -7.572 793 3HZ LYS 98 3HZ LYS 98 31.100 -12.925 -8.058 794 H GLY 99 H GLY 99 28.081 -6.184 -5.946 795 1HA GLY 99 1HA GLY 99 30.087 -4.573 -7.444 796 2HA GLY 99 2HA GLY 99 28.800 -3.740 -6.529 797 H GLU 100 H GLU 100 31.550 -5.988 -6.170 798 HA GLU 100 HA GLU 100 32.927 -6.272 -4.302 799 1HB GLU 100 1HB GLU 100 31.908 -3.548 -3.902 800 2HB GLU 100 2HB GLU 100 32.611 -4.350 -2.528 801 1HG GLU 100 1HG GLU 100 34.104 -4.421 -5.177 802 2HG GLU 100 2HG GLU 100 34.113 -2.956 -4.199 803 H LYS 101 H LYS 101 32.889 -6.210 -1.813 804 HA LYS 101 HA LYS 101 32.103 -7.041 0.226 805 1HB LYS 101 1HB LYS 101 29.616 -5.821 -0.807 806 2HB LYS 101 2HB LYS 101 29.822 -6.474 0.800 807 1HG LYS 101 1HG LYS 101 31.483 -4.909 1.460 808 2HG LYS 101 2HG LYS 101 31.802 -4.386 -0.233 809 1HD LYS 101 1HD LYS 101 29.108 -3.936 0.012 810 2HD LYS 101 2HD LYS 101 29.613 -3.665 1.711 811 1HE LYS 101 1HE LYS 101 31.133 -1.959 1.065 812 2HE LYS 101 2HE LYS 101 30.871 -2.254 -0.706 813 1HZ LYS 101 1HZ LYS 101 28.412 -1.711 -0.027 814 2HZ LYS 101 2HZ LYS 101 29.532 -0.500 -0.283 815 3HZ LYS 101 3HZ LYS 101 29.190 -0.938 1.293 816 H GLU 102 H GLU 102 30.390 -8.524 1.252 817 HA GLU 102 HA GLU 102 29.762 -10.830 -0.489 818 1HB GLU 102 1HB GLU 102 29.453 -11.288 2.395 819 2HB GLU 102 2HB GLU 102 30.351 -12.216 1.212 820 1HG GLU 102 1HG GLU 102 32.250 -10.534 1.363 821 2HG GLU 102 2HG GLU 102 31.353 -9.753 2.671 822 H GLY 103 H GLY 103 27.531 -10.945 -0.998 823 1HA GLY 103 1HA GLY 103 25.238 -11.142 -0.280 824 2HA GLY 103 2HA GLY 103 25.664 -10.435 1.194 825 H ARG 104 H ARG 104 25.547 -9.520 -2.323 826 HA ARG 104 HA ARG 104 24.196 -6.953 -1.537 827 1HB ARG 104 1HB ARG 104 26.437 -7.402 -3.491 828 2HB ARG 104 2HB ARG 104 25.392 -5.953 -3.467 829 1HG ARG 104 1HG ARG 104 26.150 -6.337 -0.802 830 2HG ARG 104 2HG ARG 104 27.612 -6.705 -1.741 831 1HD ARG 104 1HD ARG 104 27.930 -4.466 -1.879 832 2HD ARG 104 2HD ARG 104 26.500 -4.426 -2.961 833 HE ARG 104 HE ARG 104 26.652 -3.714 -0.063 834 1HH1 ARG 104 1HH1 ARG 104 24.544 -4.003 -3.012 835 2HH1 ARG 104 2HH1 ARG 104 23.345 -3.046 -2.231 836 1HH2 ARG 104 1HH2 ARG 104 24.825 -2.408 0.750 837 2HH2 ARG 104 2HH2 ARG 104 23.463 -2.235 -0.351 838 H GLY 105 H GLY 105 22.441 -6.471 -2.643 839 1HA GLY 105 1HA GLY 105 21.611 -6.693 -5.197 840 2HA GLY 105 2HA GLY 105 21.568 -8.409 -4.725 841 H TRP 106 H TRP 106 19.212 -6.963 -5.440 842 HA TRP 106 HA TRP 106 17.734 -6.790 -2.820 843 1HB TRP 106 1HB TRP 106 17.137 -5.270 -5.349 844 2HB TRP 106 2HB TRP 106 16.129 -5.409 -3.961 845 HD1 TRP 106 HD1 TRP 106 19.820 -4.899 -2.939 846 HE1 TRP 106 HE1 TRP 106 20.209 -2.412 -2.257 847 HE3 TRP 106 HE3 TRP 106 15.381 -2.874 -4.605 848 HZ2 TRP 106 HZ2 TRP 106 18.866 0.040 -2.391 849 HZ3 TRP 106 HZ3 TRP 106 15.052 -0.417 -4.284 850 HH2 TRP 106 HH2 TRP 106 16.759 0.965 -3.190 851 H THR 107 H THR 107 15.300 -7.132 -3.219 852 HA THR 107 HA THR 107 14.738 -9.066 -5.338 853 HB THR 107 HB THR 107 14.719 -9.743 -2.415 854 HG1 THR 107 HG1 THR 107 16.011 -10.464 -4.642 855 1HG2 THR 107 1HG2 THR 107 13.302 -11.808 -3.024 856 2HG2 THR 107 2HG2 THR 107 13.203 -11.217 -4.708 857 3HG2 THR 107 3HG2 THR 107 12.430 -10.331 -3.367 858 H GLN 108 H GLN 108 12.792 -8.745 -6.055 859 HA GLN 108 HA GLN 108 10.878 -7.024 -4.511 860 1HB GLN 108 1HB GLN 108 10.998 -7.762 -7.471 861 2HB GLN 108 2HB GLN 108 10.064 -6.522 -6.781 862 1HG GLN 108 1HG GLN 108 13.090 -6.473 -6.751 863 2HG GLN 108 2HG GLN 108 12.053 -5.740 -7.994 864 1HE2 GLN 108 1HE2 GLN 108 13.836 -4.210 -6.181 865 2HE2 GLN 108 2HE2 GLN 108 12.794 -3.194 -5.204 866 H TRP 109 H TRP 109 8.612 -7.627 -4.598 867 HA TRP 109 HA TRP 109 7.636 -10.107 -5.736 868 1HB TRP 109 1HB TRP 109 8.913 -11.267 -4.168 869 2HB TRP 109 2HB TRP 109 8.587 -10.110 -2.891 870 HD1 TRP 109 HD1 TRP 109 5.188 -10.929 -4.233 871 HE1 TRP 109 HE1 TRP 109 4.044 -12.778 -2.895 872 HE3 TRP 109 HE3 TRP 109 9.252 -12.587 -1.703 873 HZ2 TRP 109 HZ2 TRP 109 4.773 -14.790 -0.940 874 HZ3 TRP 109 HZ3 TRP 109 8.976 -14.493 -0.107 875 HH2 TRP 109 HH2 TRP 109 6.722 -15.556 0.226 876 H ILE 110 H ILE 110 5.707 -9.540 -6.181 877 HA ILE 110 HA ILE 110 4.312 -7.456 -4.600 878 HB ILE 110 HB ILE 110 3.942 -8.454 -7.433 879 1HG1 ILE 110 1HG1 ILE 110 5.017 -5.954 -6.101 880 2HG1 ILE 110 2HG1 ILE 110 5.923 -7.175 -6.942 881 1HG2 ILE 110 1HG2 ILE 110 1.692 -7.782 -6.423 882 2HG2 ILE 110 2HG2 ILE 110 2.206 -6.732 -7.736 883 3HG2 ILE 110 3HG2 ILE 110 2.408 -6.177 -6.058 884 1HD1 ILE 110 1HD1 ILE 110 4.328 -4.911 -8.095 885 2HD1 ILE 110 2HD1 ILE 110 4.190 -6.440 -9.012 886 3HD1 ILE 110 3HD1 ILE 110 5.758 -5.708 -8.726 887 H GLU 111 H GLU 111 2.066 -7.541 -4.032 888 HA GLU 111 HA GLU 111 0.842 -10.288 -3.987 889 1HB GLU 111 1HB GLU 111 0.536 -8.281 -1.746 890 2HB GLU 111 2HB GLU 111 0.128 -9.993 -1.718 891 1HG GLU 111 1HG GLU 111 2.810 -10.141 -2.288 892 2HG GLU 111 2HG GLU 111 2.729 -8.652 -1.307 893 H GLY 112 H GLY 112 -1.646 -9.392 -2.948 894 1HA GLY 112 1HA GLY 112 -2.808 -8.040 -5.237 895 2HA GLY 112 2HA GLY 112 -3.623 -8.436 -3.673 896 H ASP 113 H ASP 113 -2.568 -6.935 -1.727 897 HA ASP 113 HA ASP 113 -2.690 -4.130 -2.799 898 1HB ASP 113 1HB ASP 113 -3.318 -4.771 0.040 899 2HB ASP 113 2HB ASP 113 -4.023 -3.562 -1.022 900 H GLU 114 H GLU 114 -0.467 -6.255 -1.808 901 HA GLU 114 HA GLU 114 1.063 -4.245 -0.149 902 1HB GLU 114 1HB GLU 114 1.759 -7.085 0.012 903 2HB GLU 114 2HB GLU 114 1.837 -5.884 1.258 904 1HG GLU 114 1HG GLU 114 -0.876 -6.049 1.014 905 2HG GLU 114 2HG GLU 114 -0.439 -7.684 0.437 906 H LEU 115 H LEU 115 3.456 -5.720 0.129 907 HA LEU 115 HA LEU 115 4.476 -6.715 -2.349 908 1HB LEU 115 1HB LEU 115 4.264 -3.858 -2.144 909 2HB LEU 115 2HB LEU 115 5.891 -4.177 -1.601 910 HG LEU 115 HG LEU 115 4.807 -5.292 -4.207 911 1HD1 LEU 115 1HD1 LEU 115 4.427 -2.926 -4.290 912 2HD1 LEU 115 2HD1 LEU 115 5.881 -3.325 -5.272 913 3HD1 LEU 115 3HD1 LEU 115 6.068 -2.610 -3.665 914 1HD2 LEU 115 1HD2 LEU 115 7.186 -5.985 -3.108 915 2HD2 LEU 115 2HD2 LEU 115 7.673 -4.321 -3.523 916 3HD2 LEU 115 3HD2 LEU 115 7.213 -5.457 -4.790 917 H HIS 116 H HIS 116 6.299 -7.875 -1.781 918 HA HIS 116 HA HIS 116 7.379 -7.245 0.973 919 1HB HIS 116 1HB HIS 116 6.782 -9.777 -0.448 920 2HB HIS 116 2HB HIS 116 8.202 -9.788 0.583 921 HD1 HIS 116 HD1 HIS 116 7.749 -10.304 3.010 922 HD2 HIS 116 HD2 HIS 116 4.294 -8.870 1.131 923 HE1 HIS 116 HE1 HIS 116 5.846 -10.459 4.760 924 HE2 HIS 116 HE2 HIS 116 3.777 -9.584 3.552 925 H LEU 117 H LEU 117 8.931 -5.795 0.063 926 HA LEU 117 HA LEU 117 10.893 -7.005 -1.799 927 1HB LEU 117 1HB LEU 117 10.333 -4.803 -2.511 928 2HB LEU 117 2HB LEU 117 10.082 -4.265 -0.949 929 HG LEU 117 HG LEU 117 12.765 -4.479 -0.677 930 1HD1 LEU 117 1HD1 LEU 117 12.295 -5.055 -3.522 931 2HD1 LEU 117 2HD1 LEU 117 13.818 -5.216 -2.629 932 3HD1 LEU 117 3HD1 LEU 117 13.380 -3.661 -3.328 933 1HD2 LEU 117 1HD2 LEU 117 12.814 -2.205 -0.905 934 2HD2 LEU 117 2HD2 LEU 117 11.047 -2.374 -0.911 935 3HD2 LEU 117 3HD2 LEU 117 11.898 -2.161 -2.429 936 H GLU 118 H GLU 118 13.103 -7.160 -1.209 937 HA GLU 118 HA GLU 118 13.689 -6.842 1.706 938 1HB GLU 118 1HB GLU 118 14.786 -9.045 -0.066 939 2HB GLU 118 2HB GLU 118 14.952 -8.872 1.721 940 1HG GLU 118 1HG GLU 118 12.329 -9.024 1.719 941 2HG GLU 118 2HG GLU 118 12.506 -9.576 0.067 942 H MET 119 H MET 119 16.049 -6.463 2.130 943 HA MET 119 HA MET 119 17.545 -5.701 -0.330 944 1HB MET 119 1HB MET 119 16.864 -3.862 1.969 945 2HB MET 119 2HB MET 119 18.246 -3.575 0.880 946 1HG MET 119 1HG MET 119 16.579 -3.715 -1.080 947 2HG MET 119 2HG MET 119 15.266 -3.743 0.151 948 1HE MET 119 1HE MET 119 16.456 -0.367 1.966 949 2HE MET 119 2HE MET 119 17.433 -1.858 2.003 950 3HE MET 119 3HE MET 119 15.689 -1.983 2.268 951 H ARG 120 H ARG 120 19.351 -6.773 -0.197 952 HA ARG 120 HA ARG 120 20.495 -7.361 2.485 953 1HB ARG 120 1HB ARG 120 19.899 -9.217 1.206 954 2HB ARG 120 2HB ARG 120 20.839 -8.679 -0.200 955 1HG ARG 120 1HG ARG 120 22.896 -9.347 0.854 956 2HG ARG 120 2HG ARG 120 22.286 -8.947 2.456 957 1HD ARG 120 1HD ARG 120 22.137 -11.143 2.711 958 2HD ARG 120 2HD ARG 120 20.576 -10.960 1.832 959 HE ARG 120 HE ARG 120 23.037 -11.433 0.287 960 1HH1 ARG 120 1HH1 ARG 120 19.813 -12.641 1.182 961 2HH1 ARG 120 2HH1 ARG 120 19.889 -13.846 -0.053 962 1HH2 ARG 120 1HH2 ARG 120 23.027 -13.066 -1.322 963 2HH2 ARG 120 2HH2 ARG 120 21.634 -14.062 -1.432 964 H ALA 121 H ALA 121 22.352 -6.491 3.102 965 HA ALA 121 HA ALA 121 24.317 -5.455 1.107 966 1HB ALA 121 1HB ALA 121 22.913 -3.494 1.586 967 2HB ALA 121 2HB ALA 121 24.420 -3.294 2.490 968 3HB ALA 121 3HB ALA 121 22.984 -3.822 3.360 969 H GLU 122 H GLU 122 26.117 -6.376 1.750 970 HA GLU 122 HA GLU 122 27.668 -7.513 2.897 971 1HB GLU 122 1HB GLU 122 27.724 -4.908 3.174 972 2HB GLU 122 2HB GLU 122 27.660 -5.279 4.884 973 1HG GLU 122 1HG GLU 122 29.510 -7.159 4.034 974 2HG GLU 122 2HG GLU 122 29.821 -5.883 2.842 975 H GLY 123 H GLY 123 25.306 -8.782 3.770 976 1HA GLY 123 1HA GLY 123 25.145 -10.457 5.599 977 2HA GLY 123 2HA GLY 123 26.197 -9.445 6.527 978 H VAL 124 H VAL 124 24.124 -7.178 5.408 979 HA VAL 124 HA VAL 124 22.480 -7.299 7.894 980 HB VAL 124 HB VAL 124 23.815 -5.249 6.679 981 1HG1 VAL 124 1HG1 VAL 124 20.920 -4.615 5.967 982 2HG1 VAL 124 2HG1 VAL 124 22.039 -5.368 4.811 983 3HG1 VAL 124 3HG1 VAL 124 22.361 -3.737 5.482 984 1HG2 VAL 124 1HG2 VAL 124 21.410 -5.366 8.563 985 2HG2 VAL 124 2HG2 VAL 124 22.206 -3.808 8.209 986 3HG2 VAL 124 3HG2 VAL 124 23.142 -5.098 8.945 987 H THR 125 H THR 125 20.246 -7.134 7.767 988 HA THR 125 HA THR 125 19.020 -7.593 5.068 989 HB THR 125 HB THR 125 18.186 -9.103 7.546 990 HG1 THR 125 HG1 THR 125 19.517 -10.709 6.044 991 1HG2 THR 125 1HG2 THR 125 17.853 -9.873 4.528 992 2HG2 THR 125 2HG2 THR 125 16.675 -8.894 5.436 993 3HG2 THR 125 3HG2 THR 125 16.972 -10.547 5.914 994 H CYS 126 H CYS 126 18.003 -5.701 4.849 995 HA CYS 126 HA CYS 126 16.127 -4.833 7.005 996 1HB CYS 126 1HB CYS 126 17.375 -2.929 6.714 997 2HB CYS 126 2HB CYS 126 17.882 -3.294 5.045 998 HG CYS 126 HG CYS 126 15.083 -2.105 6.185 999 H LYS 127 H LYS 127 14.008 -4.790 6.371 1000 HA LYS 127 HA LYS 127 13.244 -5.359 3.498 1001 1HB LYS 127 1HB LYS 127 11.670 -6.304 5.882 1002 2HB LYS 127 2HB LYS 127 11.680 -6.912 4.242 1003 1HG LYS 127 1HG LYS 127 14.092 -7.737 4.718 1004 2HG LYS 127 2HG LYS 127 13.902 -7.177 6.368 1005 1HD LYS 127 1HD LYS 127 11.911 -9.076 5.081 1006 2HD LYS 127 2HD LYS 127 13.412 -9.708 5.830 1007 1HE LYS 127 1HE LYS 127 11.478 -7.863 7.364 1008 2HE LYS 127 2HE LYS 127 11.301 -9.644 7.297 1009 1HZ LYS 127 1HZ LYS 127 12.663 -9.540 9.054 1010 2HZ LYS 127 2HZ LYS 127 13.284 -8.021 8.618 1011 3HZ LYS 127 3HZ LYS 127 13.903 -9.420 7.920 1012 H GLN 128 H GLN 128 12.024 -3.978 2.625 1013 HA GLN 128 HA GLN 128 10.395 -2.023 4.194 1014 1HB GLN 128 1HB GLN 128 11.492 -2.182 1.387 1015 2HB GLN 128 2HB GLN 128 10.032 -1.274 1.667 1016 1HG GLN 128 1HG GLN 128 12.190 -0.598 3.611 1017 2HG GLN 128 2HG GLN 128 12.612 -0.373 1.912 1018 1HE2 GLN 128 1HE2 GLN 128 11.885 1.502 0.913 1019 2HE2 GLN 128 2HE2 GLN 128 10.715 2.588 1.559 1020 H VAL 129 H VAL 129 8.438 -2.707 4.632 1021 HA VAL 129 HA VAL 129 7.018 -4.494 2.691 1022 HB VAL 129 HB VAL 129 5.942 -3.640 5.362 1023 1HG1 VAL 129 1HG1 VAL 129 4.520 -4.672 3.381 1024 2HG1 VAL 129 2HG1 VAL 129 4.404 -5.511 4.944 1025 3HG1 VAL 129 3HG1 VAL 129 5.412 -6.150 3.633 1026 1HG2 VAL 129 1HG2 VAL 129 6.943 -5.612 6.382 1027 2HG2 VAL 129 2HG2 VAL 129 8.239 -4.936 5.432 1028 3HG2 VAL 129 3HG2 VAL 129 7.339 -6.327 4.787 1029 H PHE 130 H PHE 130 5.622 -3.594 1.352 1030 HA PHE 130 HA PHE 130 4.816 -0.718 1.646 1031 1HB PHE 130 1HB PHE 130 5.117 -2.642 -0.690 1032 2HB PHE 130 2HB PHE 130 4.272 -1.140 -0.872 1033 HD1 PHE 130 HD1 PHE 130 6.055 -0.815 -2.757 1034 HD2 PHE 130 HD2 PHE 130 7.126 -0.784 1.422 1035 HE1 PHE 130 HE1 PHE 130 8.184 0.344 -3.266 1036 HE2 PHE 130 HE2 PHE 130 9.201 0.359 0.875 1037 HZ PHE 130 HZ PHE 130 9.765 0.934 -1.509 1038 H LYS 131 H LYS 131 2.638 -0.116 1.438 1039 HA LYS 131 HA LYS 131 0.686 -2.356 1.116 1040 1HB LYS 131 1HB LYS 131 0.982 -1.440 3.489 1041 2HB LYS 131 2HB LYS 131 0.697 0.173 2.838 1042 1HG LYS 131 1HG LYS 131 -1.314 -0.836 4.033 1043 2HG LYS 131 2HG LYS 131 -1.589 -0.224 2.394 1044 1HD LYS 131 1HD LYS 131 -1.481 -2.494 1.436 1045 2HD LYS 131 2HD LYS 131 -1.009 -3.142 3.016 1046 1HE LYS 131 1HE LYS 131 -3.508 -1.601 3.175 1047 2HE LYS 131 2HE LYS 131 -3.567 -3.058 2.114 1048 1HZ LYS 131 1HZ LYS 131 -4.154 -3.271 4.536 1049 2HZ LYS 131 2HZ LYS 131 -2.541 -3.018 4.895 1050 3HZ LYS 131 3HZ LYS 131 -2.985 -4.403 4.014 1051 H LYS 132 H LYS 132 0.417 -1.789 -1.132 1052 HA LYS 132 HA LYS 132 0.308 0.825 -2.158 1053 1HB LYS 132 1HB LYS 132 -0.517 -0.027 -4.136 1054 2HB LYS 132 2HB LYS 132 0.445 -1.313 -3.453 1055 1HG LYS 132 1HG LYS 132 -1.309 -2.719 -3.193 1056 2HG LYS 132 2HG LYS 132 -2.525 -1.396 -2.907 1057 1HD LYS 132 1HD LYS 132 -3.001 -2.139 -5.129 1058 2HD LYS 132 2HD LYS 132 -2.067 -0.677 -5.315 1059 1HE LYS 132 1HE LYS 132 -0.039 -2.035 -5.864 1060 2HE LYS 132 2HE LYS 132 -0.887 -3.505 -5.345 1061 1HZ LYS 132 1HZ LYS 132 -0.898 -3.399 -7.645 1062 2HZ LYS 132 2HZ LYS 132 -1.506 -1.796 -7.714 1063 3HZ LYS 132 3HZ LYS 132 -2.475 -3.059 -7.145 1064 H VAL 133 H VAL 133 -1.012 2.394 -2.147 1065 HA VAL 133 HA VAL 133 -3.449 2.296 -0.523 1066 HB VAL 133 HB VAL 133 -1.507 4.102 -0.897 1067 1HG1 VAL 133 1HG1 VAL 133 -2.524 4.418 -3.225 1068 2HG1 VAL 133 2HG1 VAL 133 -2.172 5.890 -2.280 1069 3HG1 VAL 133 3HG1 VAL 133 -3.846 5.312 -2.485 1070 1HG2 VAL 133 1HG2 VAL 133 -4.230 4.108 0.372 1071 2HG2 VAL 133 2HG2 VAL 133 -3.817 5.721 -0.185 1072 3HG2 VAL 133 3HG2 VAL 133 -2.761 4.891 0.954 1073 H HIS 134 H HIS 134 -2.750 1.556 -3.641 1074 HA HIS 134 HA HIS 134 -3.945 1.101 -5.483 1075 1HB HIS 134 1HB HIS 134 -5.584 0.068 -4.348 1076 2HB HIS 134 2HB HIS 134 -6.215 1.499 -3.571 1077 HD1 HIS 134 HD1 HIS 134 -6.886 -0.708 -6.259 1078 HD2 HIS 134 HD2 HIS 134 -7.384 3.426 -5.746 1079 HE1 HIS 134 HE1 HIS 134 -8.615 0.018 -8.038 1080 HE2 HIS 134 HE2 HIS 134 -8.846 2.547 -7.657 Start of MODEL 18 1 1H PRO 1 1H PRO 1 -0.931 -9.895 -13.626 2 2H PRO 1 2H PRO 1 -0.996 -10.935 -12.364 3 HA PRO 1 HA PRO 1 1.017 -11.718 -12.741 4 1HB PRO 1 1HB PRO 1 0.842 -11.596 -15.709 5 2HB PRO 1 2HB PRO 1 1.427 -12.934 -14.660 6 1HG PRO 1 1HG PRO 1 -1.150 -12.873 -15.764 7 2HG PRO 1 2HG PRO 1 -0.636 -13.823 -14.398 8 1HD PRO 1 1HD PRO 1 -2.530 -11.564 -14.464 9 2HD PRO 1 2HD PRO 1 -2.061 -12.525 -13.034 10 H VAL 2 H VAL 2 2.958 -10.800 -12.909 11 HA VAL 2 HA VAL 2 4.243 -8.903 -12.645 12 HB VAL 2 HB VAL 2 5.225 -10.301 -14.311 13 1HG1 VAL 2 1HG1 VAL 2 4.608 -9.225 -16.861 14 2HG1 VAL 2 2HG1 VAL 2 3.082 -9.343 -16.012 15 3HG1 VAL 2 3HG1 VAL 2 4.112 -10.802 -16.219 16 1HG2 VAL 2 1HG2 VAL 2 6.859 -8.692 -14.827 17 2HG2 VAL 2 2HG2 VAL 2 5.746 -7.525 -14.060 18 3HG2 VAL 2 3HG2 VAL 2 5.707 -7.777 -15.807 19 H ASP 3 H ASP 3 2.126 -7.658 -12.142 20 HA ASP 3 HA ASP 3 1.953 -5.308 -14.022 21 1HB ASP 3 1HB ASP 3 -0.341 -5.023 -13.298 22 2HB ASP 3 2HB ASP 3 -0.035 -6.692 -13.920 23 H PHE 4 H PHE 4 4.026 -5.260 -12.540 24 HA PHE 4 HA PHE 4 3.974 -4.427 -9.826 25 1HB PHE 4 1HB PHE 4 5.841 -3.787 -12.086 26 2HB PHE 4 2HB PHE 4 6.040 -3.138 -10.449 27 HD1 PHE 4 HD1 PHE 4 6.634 -6.143 -12.484 28 HD2 PHE 4 HD2 PHE 4 6.242 -4.698 -8.456 29 HE1 PHE 4 HE1 PHE 4 7.754 -8.127 -11.606 30 HE2 PHE 4 HE2 PHE 4 7.343 -6.663 -7.616 31 HZ PHE 4 HZ PHE 4 8.130 -8.425 -9.147 32 H ASN 5 H ASN 5 2.679 -2.640 -12.539 33 HA ASN 5 HA ASN 5 3.184 -0.018 -11.963 34 1HB ASN 5 1HB ASN 5 2.063 -0.568 -13.916 35 2HB ASN 5 2HB ASN 5 0.735 -1.319 -13.036 36 1HD2 ASN 5 1HD2 ASN 5 2.107 1.709 -14.126 37 2HD2 ASN 5 2HD2 ASN 5 0.815 2.755 -13.605 38 H GLY 6 H GLY 6 2.566 1.408 -10.379 39 1HA GLY 6 1HA GLY 6 0.115 1.670 -9.080 40 2HA GLY 6 2HA GLY 6 0.852 0.403 -8.208 41 H TYR 7 H TYR 7 0.176 2.733 -6.993 42 HA TYR 7 HA TYR 7 2.776 4.193 -6.397 43 1HB TYR 7 1HB TYR 7 0.051 4.923 -5.255 44 2HB TYR 7 2HB TYR 7 1.530 5.913 -5.418 45 HD1 TYR 7 HD1 TYR 7 1.679 4.584 -8.530 46 HD2 TYR 7 HD2 TYR 7 -1.002 7.005 -6.182 47 HE1 TYR 7 HE1 TYR 7 0.775 5.605 -10.582 48 HE2 TYR 7 HE2 TYR 7 -1.889 7.984 -8.188 49 HH TYR 7 HH TYR 7 -0.676 6.900 -11.450 50 H TRP 8 H TRP 8 3.866 3.406 -4.587 51 HA TRP 8 HA TRP 8 2.085 2.099 -2.576 52 1HB TRP 8 1HB TRP 8 3.631 0.679 -1.882 53 2HB TRP 8 2HB TRP 8 3.531 0.467 -3.646 54 HD1 TRP 8 HD1 TRP 8 5.908 0.265 -4.786 55 HE1 TRP 8 HE1 TRP 8 8.320 0.647 -4.070 56 HE3 TRP 8 HE3 TRP 8 5.160 2.539 -0.156 57 HZ2 TRP 8 HZ2 TRP 8 9.741 1.704 -1.938 58 HZ3 TRP 8 HZ3 TRP 8 7.125 3.176 1.086 59 HH2 TRP 8 HH2 TRP 8 9.459 2.789 0.255 60 H LYS 9 H LYS 9 2.294 2.272 -0.537 61 HA LYS 9 HA LYS 9 3.871 4.547 0.589 62 1HB LYS 9 1HB LYS 9 2.072 4.905 2.173 63 2HB LYS 9 2HB LYS 9 1.522 5.125 0.544 64 1HG LYS 9 1HG LYS 9 0.492 2.895 0.490 65 2HG LYS 9 2HG LYS 9 0.926 2.620 2.200 66 1HD LYS 9 1HD LYS 9 -1.409 3.345 1.971 67 2HD LYS 9 2HD LYS 9 -0.384 4.412 2.982 68 1HE LYS 9 1HE LYS 9 -2.037 5.524 1.304 69 2HE LYS 9 2HE LYS 9 -0.335 6.097 1.201 70 1HZ LYS 9 1HZ LYS 9 -1.789 4.255 -0.638 71 2HZ LYS 9 2HZ LYS 9 -0.097 4.319 -0.622 72 3HZ LYS 9 3HZ LYS 9 -0.975 5.707 -0.964 73 H MET 10 H MET 10 5.373 3.660 2.006 74 HA MET 10 HA MET 10 5.376 0.834 2.682 75 1HB MET 10 1HB MET 10 7.262 1.167 3.974 76 2HB MET 10 2HB MET 10 7.357 1.803 2.355 77 1HG MET 10 1HG MET 10 7.429 4.089 3.079 78 2HG MET 10 2HG MET 10 6.505 3.732 4.540 79 1HE MET 10 1HE MET 10 8.556 1.293 5.987 80 2HE MET 10 2HE MET 10 7.250 2.441 6.406 81 3HE MET 10 3HE MET 10 8.893 2.664 7.110 82 H LEU 11 H LEU 11 4.913 -0.305 4.474 83 HA LEU 11 HA LEU 11 3.198 1.018 6.499 84 1HB LEU 11 1HB LEU 11 2.699 -1.168 5.094 85 2HB LEU 11 2HB LEU 11 3.737 -1.941 6.164 86 HG LEU 11 HG LEU 11 2.288 -1.065 8.085 87 1HD1 LEU 11 1HD1 LEU 11 -0.196 -0.594 7.105 88 2HD1 LEU 11 2HD1 LEU 11 0.710 -0.023 5.707 89 3HD1 LEU 11 3HD1 LEU 11 0.968 0.699 7.299 90 1HD2 LEU 11 1HD2 LEU 11 2.141 -3.451 6.912 91 2HD2 LEU 11 2HD2 LEU 11 0.824 -2.833 5.932 92 3HD2 LEU 11 3HD2 LEU 11 0.585 -2.960 7.656 93 H SER 12 H SER 12 6.276 -0.784 6.033 94 HA SER 12 HA SER 12 7.098 0.114 8.728 95 1HB SER 12 1HB SER 12 7.066 -1.739 9.840 96 2HB SER 12 2HB SER 12 5.898 -2.318 8.607 97 HG SER 12 HG SER 12 7.642 -3.750 8.865 98 H ASN 13 H ASN 13 9.286 0.010 9.151 99 HA ASN 13 HA ASN 13 11.080 -0.783 6.861 100 1HB ASN 13 1HB ASN 13 10.552 1.927 7.964 101 2HB ASN 13 2HB ASN 13 12.240 1.376 8.254 102 1HD2 ASN 13 1HD2 ASN 13 13.218 2.823 6.954 103 2HD2 ASN 13 2HD2 ASN 13 13.092 2.793 5.196 104 H GLU 14 H GLU 14 12.797 -1.946 7.626 105 HA GLU 14 HA GLU 14 13.397 -1.825 10.604 106 1HB GLU 14 1HB GLU 14 12.883 -4.217 8.940 107 2HB GLU 14 2HB GLU 14 13.986 -4.342 10.307 108 1HG GLU 14 1HG GLU 14 11.157 -3.227 10.543 109 2HG GLU 14 2HG GLU 14 11.553 -4.910 10.830 110 H ASN 15 H ASN 15 15.447 -2.705 11.232 111 HA ASN 15 HA ASN 15 17.679 -2.479 11.156 112 1HB ASN 15 1HB ASN 15 16.807 -4.425 9.204 113 2HB ASN 15 2HB ASN 15 18.548 -3.971 9.194 114 1HD2 ASN 15 1HD2 ASN 15 19.490 -5.663 10.249 115 2HD2 ASN 15 2HD2 ASN 15 19.157 -6.223 11.848 116 H PHE 16 H PHE 16 16.303 -0.277 9.387 117 HA PHE 16 HA PHE 16 17.757 0.116 7.004 118 1HB PHE 16 1HB PHE 16 15.599 1.118 7.888 119 2HB PHE 16 2HB PHE 16 16.608 2.399 8.572 120 HD1 PHE 16 HD1 PHE 16 16.339 4.343 7.325 121 HD2 PHE 16 HD2 PHE 16 16.873 0.581 5.301 122 HE1 PHE 16 HE1 PHE 16 16.437 5.488 5.168 123 HE2 PHE 16 HE2 PHE 16 16.989 1.719 3.108 124 HZ PHE 16 HZ PHE 16 16.762 4.157 3.005 125 H GLU 17 H GLU 17 18.435 1.045 10.368 126 HA GLU 17 HA GLU 17 20.421 3.078 9.882 127 1HB GLU 17 1HB GLU 17 19.318 2.898 11.966 128 2HB GLU 17 2HB GLU 17 20.172 1.342 12.292 129 1HG GLU 17 1HG GLU 17 22.059 3.413 11.533 130 2HG GLU 17 2HG GLU 17 21.027 4.025 12.790 131 H GLU 18 H GLU 18 20.716 -0.440 10.439 132 HA GLU 18 HA GLU 18 23.673 -0.329 10.327 133 1HB GLU 18 1HB GLU 18 21.899 -2.723 10.099 134 2HB GLU 18 2HB GLU 18 23.629 -2.619 10.603 135 1HG GLU 18 1HG GLU 18 22.725 -1.158 12.578 136 2HG GLU 18 2HG GLU 18 21.140 -1.769 12.152 137 H TYR 19 H TYR 19 20.945 -0.568 8.082 138 HA TYR 19 HA TYR 19 22.375 -1.932 6.010 139 1HB TYR 19 1HB TYR 19 20.016 -1.926 5.731 140 2HB TYR 19 2HB TYR 19 19.885 -0.199 6.070 141 HD1 TYR 19 HD1 TYR 19 20.577 1.505 4.401 142 HD2 TYR 19 HD2 TYR 19 20.542 -2.686 3.484 143 HE1 TYR 19 HE1 TYR 19 20.681 2.041 1.921 144 HE2 TYR 19 HE2 TYR 19 20.649 -2.130 1.071 145 HH TYR 19 HH TYR 19 19.845 -0.027 -0.328 146 H LEU 20 H LEU 20 22.048 1.436 6.917 147 HA LEU 20 HA LEU 20 23.312 2.645 4.593 148 1HB LEU 20 1HB LEU 20 22.790 3.775 7.313 149 2HB LEU 20 2HB LEU 20 23.537 4.647 6.090 150 HG LEU 20 HG LEU 20 20.707 3.654 6.094 151 1HD1 LEU 20 1HD1 LEU 20 21.679 6.449 5.419 152 2HD1 LEU 20 2HD1 LEU 20 21.612 5.887 7.127 153 3HD1 LEU 20 3HD1 LEU 20 20.133 6.000 6.120 154 1HD2 LEU 20 1HD2 LEU 20 20.798 5.081 3.735 155 2HD2 LEU 20 2HD2 LEU 20 21.041 3.339 3.727 156 3HD2 LEU 20 3HD2 LEU 20 22.452 4.447 3.732 157 H ARG 21 H ARG 21 24.405 1.568 7.832 158 HA ARG 21 HA ARG 21 27.070 2.664 7.567 159 1HB ARG 21 1HB ARG 21 25.933 2.223 9.711 160 2HB ARG 21 2HB ARG 21 25.819 0.516 9.319 161 1HG ARG 21 1HG ARG 21 28.531 0.698 9.109 162 2HG ARG 21 2HG ARG 21 28.242 2.102 10.173 163 1HD ARG 21 1HD ARG 21 28.754 0.157 11.512 164 2HD ARG 21 2HD ARG 21 27.130 0.733 11.842 165 HE ARG 21 HE ARG 21 26.777 -1.195 9.819 166 1HH1 ARG 21 1HH1 ARG 21 28.174 -1.189 13.025 167 2HH1 ARG 21 2HH1 ARG 21 27.846 -2.874 13.396 168 1HH2 ARG 21 1HH2 ARG 21 26.307 -3.279 10.175 169 2HH2 ARG 21 2HH2 ARG 21 26.732 -4.091 11.664 170 H ALA 22 H ALA 22 25.472 -0.312 6.602 171 HA ALA 22 HA ALA 22 27.737 -2.001 6.330 172 1HB ALA 22 1HB ALA 22 25.481 -2.831 6.408 173 2HB ALA 22 2HB ALA 22 26.263 -3.333 4.872 174 3HB ALA 22 3HB ALA 22 25.100 -1.974 4.856 175 H LEU 23 H LEU 23 26.130 0.172 4.035 176 HA LEU 23 HA LEU 23 28.029 -0.485 1.862 177 1HB LEU 23 1HB LEU 23 25.970 1.686 1.564 178 2HB LEU 23 2HB LEU 23 26.669 0.723 0.365 179 HG LEU 23 HG LEU 23 25.175 -0.982 2.252 180 1HD1 LEU 23 1HD1 LEU 23 24.107 1.291 2.679 181 2HD1 LEU 23 2HD1 LEU 23 23.032 -0.009 2.191 182 3HD1 LEU 23 3HD1 LEU 23 23.571 1.218 0.991 183 1HD2 LEU 23 1HD2 LEU 23 24.873 -2.042 0.154 184 2HD2 LEU 23 2HD2 LEU 23 25.455 -0.561 -0.673 185 3HD2 LEU 23 3HD2 LEU 23 23.741 -0.755 -0.220 186 H ASP 24 H ASP 24 27.528 2.072 4.266 187 HA ASP 24 HA ASP 24 28.797 3.896 4.806 188 1HB ASP 24 1HB ASP 24 30.579 2.172 4.062 189 2HB ASP 24 2HB ASP 24 30.952 3.455 2.837 190 H VAL 25 H VAL 25 26.840 4.939 3.649 191 HA VAL 25 HA VAL 25 27.504 6.157 1.037 192 HB VAL 25 HB VAL 25 25.395 5.766 0.721 193 1HG1 VAL 25 1HG1 VAL 25 25.042 5.684 3.745 194 2HG1 VAL 25 2HG1 VAL 25 24.761 4.376 2.609 195 3HG1 VAL 25 3HG1 VAL 25 23.624 5.768 2.673 196 1HG2 VAL 25 1HG2 VAL 25 24.751 8.111 2.602 197 2HG2 VAL 25 2HG2 VAL 25 24.004 7.628 1.044 198 3HG2 VAL 25 3HG2 VAL 25 25.638 8.306 1.076 199 H ASN 26 H ASN 26 26.473 7.006 4.402 200 HA ASN 26 HA ASN 26 28.349 9.124 4.769 201 1HB ASN 26 1HB ASN 26 26.568 10.026 2.971 202 2HB ASN 26 2HB ASN 26 25.954 10.638 4.485 203 1HD2 ASN 26 1HD2 ASN 26 29.206 10.170 2.880 204 2HD2 ASN 26 2HD2 ASN 26 29.817 11.732 3.331 205 H VAL 27 H VAL 27 28.204 10.201 6.643 206 HA VAL 27 HA VAL 27 26.885 8.925 8.878 207 HB VAL 27 HB VAL 27 29.165 10.157 8.723 208 1HG1 VAL 27 1HG1 VAL 27 29.059 12.447 9.778 209 2HG1 VAL 27 2HG1 VAL 27 27.297 12.207 10.050 210 3HG1 VAL 27 3HG1 VAL 27 27.943 12.424 8.416 211 1HG2 VAL 27 1HG2 VAL 27 28.410 8.710 10.614 212 2HG2 VAL 27 2HG2 VAL 27 27.311 9.966 11.133 213 3HG2 VAL 27 3HG2 VAL 27 29.038 10.241 11.319 214 H ALA 28 H ALA 28 26.472 12.007 7.157 215 HA ALA 28 HA ALA 28 24.552 13.252 8.946 216 1HB ALA 28 1HB ALA 28 25.101 13.852 6.083 217 2HB ALA 28 2HB ALA 28 26.126 14.443 7.447 218 3HB ALA 28 3HB ALA 28 24.368 14.862 7.328 219 H LEU 29 H LEU 29 24.390 11.216 6.028 220 HA LEU 29 HA LEU 29 21.603 11.726 5.429 221 1HB LEU 29 1HB LEU 29 23.382 10.887 3.885 222 2HB LEU 29 2HB LEU 29 23.173 9.300 4.603 223 HG LEU 29 HG LEU 29 20.566 9.970 4.138 224 1HD1 LEU 29 1HD1 LEU 29 21.072 10.503 1.430 225 2HD1 LEU 29 2HD1 LEU 29 22.187 11.562 2.344 226 3HD1 LEU 29 3HD1 LEU 29 20.434 11.632 2.637 227 1HD2 LEU 29 1HD2 LEU 29 20.635 8.022 2.676 228 2HD2 LEU 29 2HD2 LEU 29 22.103 7.824 3.606 229 3HD2 LEU 29 3HD2 LEU 29 22.173 8.550 1.971 230 H ARG 30 H ARG 30 23.212 9.456 7.621 231 HA ARG 30 HA ARG 30 21.043 7.574 7.920 232 1HB ARG 30 1HB ARG 30 23.304 7.074 8.369 233 2HB ARG 30 2HB ARG 30 23.444 8.307 9.598 234 1HG ARG 30 1HG ARG 30 21.204 6.716 10.391 235 2HG ARG 30 2HG ARG 30 22.370 5.587 9.766 236 1HD ARG 30 1HD ARG 30 23.676 7.567 11.587 237 2HD ARG 30 2HD ARG 30 22.378 6.726 12.362 238 HE ARG 30 HE ARG 30 23.584 4.692 12.122 239 1HH1 ARG 30 1HH1 ARG 30 25.353 7.307 10.416 240 2HH1 ARG 30 2HH1 ARG 30 26.792 6.326 10.289 241 1HH2 ARG 30 1HH2 ARG 30 25.475 3.574 11.913 242 2HH2 ARG 30 2HH2 ARG 30 26.868 4.204 11.133 243 H LYS 31 H LYS 31 21.817 10.671 9.357 244 HA LYS 31 HA LYS 31 19.919 10.374 11.550 245 1HB LYS 31 1HB LYS 31 22.018 12.096 10.951 246 2HB LYS 31 2HB LYS 31 20.553 13.102 10.906 247 1HG LYS 31 1HG LYS 31 19.960 12.260 13.218 248 2HG LYS 31 2HG LYS 31 21.450 11.337 13.241 249 1HD LYS 31 1HD LYS 31 21.799 13.441 14.427 250 2HD LYS 31 2HD LYS 31 22.713 13.564 12.898 251 1HE LYS 31 1HE LYS 31 19.867 14.533 12.773 252 2HE LYS 31 2HE LYS 31 21.005 15.482 13.798 253 1HZ LYS 31 1HZ LYS 31 21.721 14.604 11.040 254 2HZ LYS 31 2HZ LYS 31 22.302 15.934 11.918 255 3HZ LYS 31 3HZ LYS 31 20.748 15.969 11.302 256 H ILE 32 H ILE 32 19.948 11.949 8.290 257 HA ILE 32 HA ILE 32 17.387 13.235 8.667 258 HB ILE 32 HB ILE 32 18.906 12.670 6.070 259 1HG1 ILE 32 1HG1 ILE 32 18.931 15.190 7.858 260 2HG1 ILE 32 2HG1 ILE 32 20.136 13.952 7.950 261 1HG2 ILE 32 1HG2 ILE 32 16.703 14.646 6.878 262 2HG2 ILE 32 2HG2 ILE 32 16.554 13.408 5.581 263 3HG2 ILE 32 3HG2 ILE 32 17.633 14.784 5.370 264 1HD1 ILE 32 1HD1 ILE 32 19.725 15.940 5.727 265 2HD1 ILE 32 2HD1 ILE 32 20.276 14.333 5.282 266 3HD1 ILE 32 3HD1 ILE 32 21.233 15.328 6.422 267 H ALA 33 H ALA 33 18.519 10.368 6.763 268 HA ALA 33 HA ALA 33 16.159 9.661 5.461 269 1HB ALA 33 1HB ALA 33 18.173 7.661 6.509 270 2HB ALA 33 2HB ALA 33 18.465 8.763 5.129 271 3HB ALA 33 3HB ALA 33 17.105 7.582 5.088 272 H ASN 34 H ASN 34 17.126 8.934 8.840 273 HA ASN 34 HA ASN 34 15.121 6.897 9.252 274 1HB ASN 34 1HB ASN 34 16.777 8.438 11.167 275 2HB ASN 34 2HB ASN 34 15.529 7.297 11.698 276 1HD2 ASN 34 1HD2 ASN 34 16.955 6.336 8.592 277 2HD2 ASN 34 2HD2 ASN 34 17.987 5.118 9.267 278 H LEU 35 H LEU 35 14.801 10.230 8.930 279 HA LEU 35 HA LEU 35 12.279 10.440 10.538 280 1HB LEU 35 1HB LEU 35 13.623 12.799 9.387 281 2HB LEU 35 2HB LEU 35 12.490 12.606 10.745 282 HG LEU 35 HG LEU 35 15.342 11.460 10.745 283 1HD1 LEU 35 1HD1 LEU 35 15.904 13.379 12.250 284 2HD1 LEU 35 2HD1 LEU 35 14.259 13.965 12.175 285 3HD1 LEU 35 3HD1 LEU 35 15.262 13.988 10.694 286 1HD2 LEU 35 1HD2 LEU 35 14.306 10.201 12.414 287 2HD2 LEU 35 2HD2 LEU 35 12.967 11.368 12.607 288 3HD2 LEU 35 3HD2 LEU 35 14.564 11.675 13.330 289 H LEU 36 H LEU 36 12.893 9.253 7.615 290 HA LEU 36 HA LEU 36 10.647 10.738 6.295 291 1HB LEU 36 1HB LEU 36 13.301 9.830 5.200 292 2HB LEU 36 2HB LEU 36 11.965 9.693 4.200 293 HG LEU 36 HG LEU 36 12.987 11.717 3.612 294 1HD1 LEU 36 1HD1 LEU 36 10.386 11.719 4.022 295 2HD1 LEU 36 2HD1 LEU 36 11.185 13.270 3.923 296 3HD1 LEU 36 3HD1 LEU 36 10.708 12.603 5.519 297 1HD2 LEU 36 1HD2 LEU 36 13.467 12.016 6.554 298 2HD2 LEU 36 2HD2 LEU 36 13.064 13.527 5.743 299 3HD2 LEU 36 3HD2 LEU 36 14.420 12.597 5.145 300 H LYS 37 H LYS 37 9.235 9.360 5.120 301 HA LYS 37 HA LYS 37 9.670 6.408 5.300 302 1HB LYS 37 1HB LYS 37 6.910 7.653 5.545 303 2HB LYS 37 2HB LYS 37 7.369 6.015 5.862 304 1HG LYS 37 1HG LYS 37 8.990 7.621 7.640 305 2HG LYS 37 2HG LYS 37 7.316 8.249 7.748 306 1HD LYS 37 1HD LYS 37 6.566 5.823 7.999 307 2HD LYS 37 2HD LYS 37 8.245 5.400 8.360 308 1HE LYS 37 1HE LYS 37 7.946 7.641 9.927 309 2HE LYS 37 2HE LYS 37 6.302 6.932 10.053 310 1HZ LYS 37 1HZ LYS 37 8.051 4.802 10.324 311 2HZ LYS 37 2HZ LYS 37 7.221 5.525 11.569 312 3HZ LYS 37 3HZ LYS 37 8.774 6.060 11.219 313 HA PRO 38 HA PRO 38 9.289 8.154 1.052 314 1HB PRO 38 1HB PRO 38 10.773 5.895 0.146 315 2HB PRO 38 2HB PRO 38 11.372 7.558 0.382 316 1HG PRO 38 1HG PRO 38 11.559 5.133 2.139 317 2HG PRO 38 2HG PRO 38 12.758 6.472 1.923 318 1HD PRO 38 1HD PRO 38 11.129 6.227 4.086 319 2HD PRO 38 2HD PRO 38 11.508 7.878 3.437 320 H ASP 39 H ASP 39 7.667 7.725 -0.209 321 HA ASP 39 HA ASP 39 6.271 5.071 -0.307 322 1HB ASP 39 1HB ASP 39 5.596 8.022 -0.714 323 2HB ASP 39 2HB ASP 39 4.598 6.830 -1.541 324 H LYS 40 H LYS 40 6.062 4.141 -2.392 325 HA LYS 40 HA LYS 40 7.621 5.623 -4.458 326 1HB LYS 40 1HB LYS 40 8.313 3.300 -3.457 327 2HB LYS 40 2HB LYS 40 7.370 2.712 -4.869 328 1HG LYS 40 1HG LYS 40 8.982 3.959 -6.354 329 2HG LYS 40 2HG LYS 40 9.688 4.752 -4.930 330 1HD LYS 40 1HD LYS 40 9.634 1.816 -4.808 331 2HD LYS 40 2HD LYS 40 10.682 2.445 -6.070 332 1HE LYS 40 1HE LYS 40 11.148 3.988 -3.630 333 2HE LYS 40 2HE LYS 40 11.164 2.263 -3.218 334 1HZ LYS 40 1HZ LYS 40 13.084 3.730 -4.725 335 2HZ LYS 40 2HZ LYS 40 12.574 2.298 -5.470 336 3HZ LYS 40 3HZ LYS 40 13.183 2.272 -3.872 337 H GLU 41 H GLU 41 7.199 4.645 -6.717 338 HA GLU 41 HA GLU 41 4.458 4.038 -7.364 339 1HB GLU 41 1HB GLU 41 4.021 6.452 -7.346 340 2HB GLU 41 2HB GLU 41 5.721 6.768 -7.761 341 1HG GLU 41 1HG GLU 41 5.383 6.446 -10.070 342 2HG GLU 41 2HG GLU 41 4.186 5.230 -9.803 343 H ILE 42 H ILE 42 4.677 2.609 -8.916 344 HA ILE 42 HA ILE 42 7.201 2.563 -10.510 345 HB ILE 42 HB ILE 42 5.032 0.465 -10.298 346 1HG1 ILE 42 1HG1 ILE 42 5.739 0.772 -7.982 347 2HG1 ILE 42 2HG1 ILE 42 6.483 -0.654 -8.586 348 1HG2 ILE 42 1HG2 ILE 42 6.642 0.209 -12.181 349 2HG2 ILE 42 2HG2 ILE 42 6.949 -1.077 -10.993 350 3HG2 ILE 42 3HG2 ILE 42 8.021 0.344 -11.077 351 1HD1 ILE 42 1HD1 ILE 42 8.054 2.006 -8.652 352 2HD1 ILE 42 2HD1 ILE 42 8.686 0.372 -8.781 353 3HD1 ILE 42 3HD1 ILE 42 8.006 0.935 -7.240 354 H VAL 43 H VAL 43 7.230 2.179 -12.628 355 HA VAL 43 HA VAL 43 4.768 2.284 -14.283 356 HB VAL 43 HB VAL 43 6.891 4.428 -14.499 357 1HG1 VAL 43 1HG1 VAL 43 4.857 5.269 -16.144 358 2HG1 VAL 43 2HG1 VAL 43 4.545 3.526 -16.228 359 3HG1 VAL 43 3HG1 VAL 43 6.109 4.143 -16.769 360 1HG2 VAL 43 1HG2 VAL 43 5.451 4.913 -12.573 361 2HG2 VAL 43 2HG2 VAL 43 3.988 4.538 -13.497 362 3HG2 VAL 43 3HG2 VAL 43 4.982 5.986 -13.897 363 H GLN 44 H GLN 44 5.299 0.389 -15.158 364 HA GLN 44 HA GLN 44 7.967 -0.035 -16.364 365 1HB GLN 44 1HB GLN 44 7.122 -1.755 -14.926 366 2HB GLN 44 2HB GLN 44 5.554 -1.763 -15.709 367 1HG GLN 44 1HG GLN 44 6.364 -3.059 -17.534 368 2HG GLN 44 2HG GLN 44 7.946 -2.346 -17.488 369 1HE2 GLN 44 1HE2 GLN 44 9.374 -3.955 -17.098 370 2HE2 GLN 44 2HE2 GLN 44 9.286 -5.180 -15.882 371 H ASP 45 H ASP 45 8.124 0.531 -18.506 372 HA ASP 45 HA ASP 45 5.688 0.893 -20.106 373 1HB ASP 45 1HB ASP 45 7.559 2.667 -19.999 374 2HB ASP 45 2HB ASP 45 8.628 1.498 -20.779 375 H GLY 46 H GLY 46 7.058 -1.821 -19.262 376 1HA GLY 46 1HA GLY 46 6.632 -3.791 -20.726 377 2HA GLY 46 2HA GLY 46 7.268 -2.840 -22.099 378 H ASP 47 H ASP 47 9.458 -2.738 -22.364 379 HA ASP 47 HA ASP 47 11.088 -4.624 -20.806 380 1HB ASP 47 1HB ASP 47 12.469 -4.838 -22.447 381 2HB ASP 47 2HB ASP 47 11.069 -4.319 -23.395 382 H HIS 48 H HIS 48 10.621 -1.087 -21.211 383 HA HIS 48 HA HIS 48 13.032 -0.467 -19.556 384 1HB HIS 48 1HB HIS 48 11.343 0.832 -21.637 385 2HB HIS 48 2HB HIS 48 11.501 1.842 -20.198 386 HD1 HIS 48 HD1 HIS 48 13.085 3.534 -20.837 387 HD2 HIS 48 HD2 HIS 48 14.539 -0.318 -21.831 388 HE1 HIS 48 HE1 HIS 48 15.456 3.876 -21.648 389 HE2 HIS 48 HE2 HIS 48 16.311 1.489 -22.247 390 H MET 49 H MET 49 12.818 -0.293 -17.476 391 HA MET 49 HA MET 49 10.047 0.242 -16.390 392 1HB MET 49 1HB MET 49 11.428 -1.981 -15.999 393 2HB MET 49 2HB MET 49 12.175 -0.967 -14.746 394 1HG MET 49 1HG MET 49 10.034 -0.550 -13.651 395 2HG MET 49 2HG MET 49 9.167 -1.310 -15.011 396 1HE MET 49 1HE MET 49 8.196 -1.961 -12.630 397 2HE MET 49 2HE MET 49 9.266 -2.642 -11.379 398 3HE MET 49 3HE MET 49 8.243 -3.751 -12.317 399 H ILE 50 H ILE 50 9.750 2.050 -15.455 400 HA ILE 50 HA ILE 50 12.108 3.647 -14.371 401 HB ILE 50 HB ILE 50 9.210 4.593 -14.879 402 1HG1 ILE 50 1HG1 ILE 50 10.085 3.789 -17.026 403 2HG1 ILE 50 2HG1 ILE 50 9.888 5.559 -17.034 404 1HG2 ILE 50 1HG2 ILE 50 10.244 6.351 -13.666 405 2HG2 ILE 50 2HG2 ILE 50 10.817 6.811 -15.266 406 3HG2 ILE 50 3HG2 ILE 50 11.859 5.886 -14.151 407 1HD1 ILE 50 1HD1 ILE 50 12.591 5.028 -16.159 408 2HD1 ILE 50 2HD1 ILE 50 12.104 5.658 -17.725 409 3HD1 ILE 50 3HD1 ILE 50 12.265 3.895 -17.471 410 H ILE 51 H ILE 51 12.297 3.672 -12.340 411 HA ILE 51 HA ILE 51 9.987 3.102 -10.506 412 HB ILE 51 HB ILE 51 12.919 3.155 -9.777 413 1HG1 ILE 51 1HG1 ILE 51 13.248 1.247 -10.929 414 2HG1 ILE 51 2HG1 ILE 51 12.444 0.436 -9.644 415 1HG2 ILE 51 1HG2 ILE 51 12.008 1.852 -7.721 416 2HG2 ILE 51 2HG2 ILE 51 10.387 1.910 -8.462 417 3HG2 ILE 51 3HG2 ILE 51 11.195 3.383 -7.931 418 1HD1 ILE 51 1HD1 ILE 51 11.476 0.698 -12.432 419 2HD1 ILE 51 2HD1 ILE 51 10.235 1.237 -11.320 420 3HD1 ILE 51 3HD1 ILE 51 10.910 -0.377 -11.158 421 H ARG 52 H ARG 52 9.428 4.704 -9.075 422 HA ARG 52 HA ARG 52 11.248 7.099 -9.033 423 1HB ARG 52 1HB ARG 52 8.255 7.398 -9.125 424 2HB ARG 52 2HB ARG 52 9.549 8.609 -9.266 425 1HG ARG 52 1HG ARG 52 10.287 7.355 -11.440 426 2HG ARG 52 2HG ARG 52 8.778 6.467 -11.359 427 1HD ARG 52 1HD ARG 52 9.334 9.349 -12.057 428 2HD ARG 52 2HD ARG 52 8.199 8.208 -12.741 429 HE ARG 52 HE ARG 52 7.917 9.788 -10.221 430 1HH1 ARG 52 1HH1 ARG 52 6.374 7.708 -12.581 431 2HH1 ARG 52 2HH1 ARG 52 4.768 7.967 -12.035 432 1HH2 ARG 52 1HH2 ARG 52 5.790 10.187 -9.434 433 2HH2 ARG 52 2HH2 ARG 52 4.441 9.410 -10.219 434 H THR 53 H THR 53 11.779 7.624 -7.086 435 HA THR 53 HA THR 53 10.132 6.801 -4.745 436 HB THR 53 HB THR 53 12.971 7.896 -5.067 437 HG1 THR 53 HG1 THR 53 13.719 5.899 -4.975 438 1HG2 THR 53 1HG2 THR 53 13.309 7.432 -2.694 439 2HG2 THR 53 2HG2 THR 53 11.997 6.286 -2.634 440 3HG2 THR 53 3HG2 THR 53 11.611 8.031 -2.705 441 H LEU 54 H LEU 54 9.070 8.226 -3.757 442 HA LEU 54 HA LEU 54 9.307 11.117 -4.558 443 1HB LEU 54 1HB LEU 54 6.990 9.352 -4.214 444 2HB LEU 54 2HB LEU 54 6.855 11.098 -3.926 445 HG LEU 54 HG LEU 54 8.222 10.096 -6.421 446 1HD1 LEU 54 1HD1 LEU 54 6.461 8.861 -7.020 447 2HD1 LEU 54 2HD1 LEU 54 5.590 10.365 -7.288 448 3HD1 LEU 54 3HD1 LEU 54 5.419 9.513 -5.738 449 1HD2 LEU 54 1HD2 LEU 54 6.840 12.267 -7.224 450 2HD2 LEU 54 2HD2 LEU 54 8.305 12.428 -6.213 451 3HD2 LEU 54 3HD2 LEU 54 6.662 12.528 -5.492 452 H SER 55 H SER 55 10.882 10.597 -2.489 453 HA SER 55 HA SER 55 9.714 10.921 0.152 454 1HB SER 55 1HB SER 55 12.041 11.176 0.790 455 2HB SER 55 2HB SER 55 12.116 10.036 -0.586 456 HG SER 55 HG SER 55 13.043 11.492 -1.764 457 H THR 56 H THR 56 10.991 13.144 1.217 458 HA THR 56 HA THR 56 10.158 15.396 -0.564 459 HB THR 56 HB THR 56 9.291 16.665 1.209 460 HG1 THR 56 HG1 THR 56 9.958 16.390 3.190 461 1HG2 THR 56 1HG2 THR 56 8.295 13.878 2.066 462 2HG2 THR 56 2HG2 THR 56 8.016 14.388 0.407 463 3HG2 THR 56 3HG2 THR 56 7.360 15.366 1.704 464 H PHE 57 H PHE 57 12.775 13.951 1.225 465 HA PHE 57 HA PHE 57 14.111 16.532 1.733 466 1HB PHE 57 1HB PHE 57 14.466 14.396 3.066 467 2HB PHE 57 2HB PHE 57 15.307 13.723 1.671 468 HD1 PHE 57 HD1 PHE 57 17.636 13.777 2.013 469 HD2 PHE 57 HD2 PHE 57 15.418 17.158 3.427 470 HE1 PHE 57 HE1 PHE 57 19.726 14.812 2.699 471 HE2 PHE 57 HE2 PHE 57 17.526 18.217 4.122 472 HZ PHE 57 HZ PHE 57 19.729 17.057 3.765 473 H ARG 58 H ARG 58 14.367 13.777 -0.517 474 HA ARG 58 HA ARG 58 15.389 15.602 -2.559 475 1HB ARG 58 1HB ARG 58 17.552 14.964 -2.677 476 2HB ARG 58 2HB ARG 58 17.246 14.844 -0.969 477 1HG ARG 58 1HG ARG 58 16.560 12.325 -1.641 478 2HG ARG 58 2HG ARG 58 17.769 12.593 -2.910 479 1HD ARG 58 1HD ARG 58 18.705 13.578 -0.249 480 2HD ARG 58 2HD ARG 58 18.094 11.933 -0.159 481 HE ARG 58 HE ARG 58 19.766 11.223 -1.655 482 1HH1 ARG 58 1HH1 ARG 58 19.952 14.788 -1.192 483 2HH1 ARG 58 2HH1 ARG 58 21.541 14.808 -1.900 484 1HH2 ARG 58 1HH2 ARG 58 21.839 11.435 -2.552 485 2HH2 ARG 58 2HH2 ARG 58 22.641 12.989 -2.657 486 H ASN 59 H ASN 59 15.157 14.850 -4.612 487 HA ASN 59 HA ASN 59 13.545 12.338 -4.923 488 1HB ASN 59 1HB ASN 59 13.607 13.056 -7.422 489 2HB ASN 59 2HB ASN 59 12.609 13.995 -6.302 490 1HD2 ASN 59 1HD2 ASN 59 12.584 15.841 -7.321 491 2HD2 ASN 59 2HD2 ASN 59 13.946 16.891 -7.581 492 H TYR 60 H TYR 60 14.164 10.636 -6.012 493 HA TYR 60 HA TYR 60 16.814 10.485 -7.317 494 1HB TYR 60 1HB TYR 60 17.715 9.736 -5.258 495 2HB TYR 60 2HB TYR 60 16.085 9.140 -4.699 496 HD1 TYR 60 HD1 TYR 60 18.746 8.455 -7.280 497 HD2 TYR 60 HD2 TYR 60 15.657 6.836 -4.818 498 HE1 TYR 60 HE1 TYR 60 19.358 6.215 -8.039 499 HE2 TYR 60 HE2 TYR 60 16.235 4.557 -5.545 500 HH TYR 60 HH TYR 60 19.007 3.956 -7.690 501 H ILE 61 H ILE 61 16.362 9.528 -9.157 502 HA ILE 61 HA ILE 61 14.034 7.640 -9.265 503 HB ILE 61 HB ILE 61 15.021 8.603 -11.853 504 1HG1 ILE 61 1HG1 ILE 61 15.527 10.663 -10.745 505 2HG1 ILE 61 2HG1 ILE 61 14.195 10.828 -11.781 506 1HG2 ILE 61 1HG2 ILE 61 12.469 8.080 -10.347 507 2HG2 ILE 61 2HG2 ILE 61 12.887 7.568 -12.018 508 3HG2 ILE 61 3HG2 ILE 61 12.367 9.224 -11.699 509 1HD1 ILE 61 1HD1 ILE 61 13.441 12.053 -9.761 510 2HD1 ILE 61 2HD1 ILE 61 14.156 10.877 -8.688 511 3HD1 ILE 61 3HD1 ILE 61 12.680 10.451 -9.520 512 H MET 62 H MET 62 14.346 6.334 -11.519 513 HA MET 62 HA MET 62 17.039 5.141 -11.602 514 1HB MET 62 1HB MET 62 14.482 3.952 -10.580 515 2HB MET 62 2HB MET 62 15.162 2.979 -11.888 516 1HG MET 62 1HG MET 62 17.121 2.491 -10.723 517 2HG MET 62 2HG MET 62 16.900 3.803 -9.508 518 1HE MET 62 1HE MET 62 14.275 2.550 -7.183 519 2HE MET 62 2HE MET 62 14.877 3.984 -8.105 520 3HE MET 62 3HE MET 62 15.955 3.081 -6.975 521 H ASP 63 H ASP 63 16.734 3.289 -13.418 522 HA ASP 63 HA ASP 63 14.866 3.868 -15.528 523 1HB ASP 63 1HB ASP 63 16.608 5.719 -15.745 524 2HB ASP 63 2HB ASP 63 17.857 4.468 -15.753 525 H PHE 64 H PHE 64 14.527 1.673 -14.786 526 HA PHE 64 HA PHE 64 16.754 -0.290 -15.020 527 1HB PHE 64 1HB PHE 64 14.027 -0.274 -13.928 528 2HB PHE 64 2HB PHE 64 14.603 -1.798 -14.668 529 HD1 PHE 64 HD1 PHE 64 14.737 -2.986 -12.543 530 HD2 PHE 64 HD2 PHE 64 16.906 0.703 -13.148 531 HE1 PHE 64 HE1 PHE 64 16.124 -3.412 -10.489 532 HE2 PHE 64 HE2 PHE 64 18.233 0.250 -11.131 533 HZ PHE 64 HZ PHE 64 17.831 -1.823 -9.803 534 H GLN 65 H GLN 65 16.404 -2.275 -16.154 535 HA GLN 65 HA GLN 65 14.670 -2.195 -18.589 536 1HB GLN 65 1HB GLN 65 17.421 -3.240 -19.033 537 2HB GLN 65 2HB GLN 65 16.291 -2.450 -20.102 538 1HG GLN 65 1HG GLN 65 17.133 -0.474 -18.196 539 2HG GLN 65 2HG GLN 65 18.611 -1.347 -18.656 540 1HE2 GLN 65 1HE2 GLN 65 17.742 -1.980 -21.430 541 2HE2 GLN 65 2HE2 GLN 65 17.874 -0.491 -22.287 542 H VAL 66 H VAL 66 13.698 -4.102 -18.627 543 HA VAL 66 HA VAL 66 14.642 -6.280 -16.781 544 HB VAL 66 HB VAL 66 12.218 -5.399 -17.163 545 1HG1 VAL 66 1HG1 VAL 66 12.384 -7.521 -19.335 546 2HG1 VAL 66 2HG1 VAL 66 12.277 -5.795 -19.667 547 3HG1 VAL 66 3HG1 VAL 66 10.916 -6.623 -18.862 548 1HG2 VAL 66 1HG2 VAL 66 12.177 -8.447 -17.307 549 2HG2 VAL 66 2HG2 VAL 66 11.572 -7.396 -16.046 550 3HG2 VAL 66 3HG2 VAL 66 13.306 -7.807 -16.110 551 H GLY 67 H GLY 67 15.700 -8.080 -17.498 552 1HA GLY 67 1HA GLY 67 16.196 -9.802 -19.066 553 2HA GLY 67 2HA GLY 67 15.492 -8.913 -20.329 554 H LYS 68 H LYS 68 17.351 -6.540 -19.035 555 HA LYS 68 HA LYS 68 19.742 -7.310 -20.670 556 1HB LYS 68 1HB LYS 68 18.140 -4.912 -20.612 557 2HB LYS 68 2HB LYS 68 19.771 -4.579 -20.003 558 1HG LYS 68 1HG LYS 68 20.757 -5.243 -22.103 559 2HG LYS 68 2HG LYS 68 19.348 -6.215 -22.573 560 1HD LYS 68 1HD LYS 68 18.060 -3.983 -22.501 561 2HD LYS 68 2HD LYS 68 19.642 -3.171 -22.541 562 1HE LYS 68 1HE LYS 68 18.250 -4.904 -24.643 563 2HE LYS 68 2HE LYS 68 19.032 -3.305 -24.828 564 1HZ LYS 68 1HZ LYS 68 20.533 -4.651 -25.783 565 2HZ LYS 68 2HZ LYS 68 20.143 -6.005 -24.886 566 3HZ LYS 68 3HZ LYS 68 21.102 -4.778 -24.177 567 H GLU 69 H GLU 69 21.548 -5.610 -19.924 568 HA GLU 69 HA GLU 69 22.061 -5.865 -16.989 569 1HB GLU 69 1HB GLU 69 23.279 -7.671 -18.166 570 2HB GLU 69 2HB GLU 69 23.930 -6.506 -19.299 571 1HG GLU 69 1HG GLU 69 24.902 -5.230 -17.200 572 2HG GLU 69 2HG GLU 69 24.583 -6.756 -16.354 573 H PHE 70 H PHE 70 23.020 -3.999 -16.117 574 HA PHE 70 HA PHE 70 24.042 -1.978 -18.044 575 1HB PHE 70 1HB PHE 70 22.542 -0.349 -17.660 576 2HB PHE 70 2HB PHE 70 21.591 -1.818 -17.910 577 HD1 PHE 70 HD1 PHE 70 22.215 0.943 -15.720 578 HD2 PHE 70 HD2 PHE 70 20.743 -3.055 -15.784 579 HE1 PHE 70 HE1 PHE 70 21.024 1.313 -13.541 580 HE2 PHE 70 HE2 PHE 70 19.564 -2.765 -13.704 581 HZ PHE 70 HZ PHE 70 19.697 -0.531 -12.517 582 H GLU 71 H GLU 71 25.671 -0.866 -17.075 583 HA GLU 71 HA GLU 71 26.392 -1.395 -14.271 584 1HB GLU 71 1HB GLU 71 28.382 -1.302 -15.224 585 2HB GLU 71 2HB GLU 71 27.682 -0.595 -16.749 586 1HG GLU 71 1HG GLU 71 27.826 1.631 -15.870 587 2HG GLU 71 2HG GLU 71 28.305 1.052 -14.280 588 H GLU 72 H GLU 72 26.754 0.356 -12.777 589 HA GLU 72 HA GLU 72 25.463 2.905 -13.508 590 1HB GLU 72 1HB GLU 72 23.551 1.656 -12.982 591 2HB GLU 72 2HB GLU 72 24.262 0.976 -11.530 592 1HG GLU 72 1HG GLU 72 22.722 2.573 -10.799 593 2HG GLU 72 2HG GLU 72 24.288 3.330 -10.536 594 H ASP 73 H ASP 73 26.749 4.444 -12.744 595 HA ASP 73 HA ASP 73 28.326 3.991 -10.294 596 1HB ASP 73 1HB ASP 73 28.016 6.379 -12.132 597 2HB ASP 73 2HB ASP 73 29.101 6.299 -10.684 598 H LEU 74 H LEU 74 26.712 3.782 -8.736 599 HA LEU 74 HA LEU 74 24.370 5.323 -8.349 600 1HB LEU 74 1HB LEU 74 25.832 3.394 -6.752 601 2HB LEU 74 2HB LEU 74 24.705 4.452 -5.903 602 HG LEU 74 HG LEU 74 23.923 2.838 -8.360 603 1HD1 LEU 74 1HD1 LEU 74 22.841 1.997 -5.777 604 2HD1 LEU 74 2HD1 LEU 74 24.611 1.784 -5.856 605 3HD1 LEU 74 3HD1 LEU 74 23.513 1.028 -7.060 606 1HD2 LEU 74 1HD2 LEU 74 22.446 4.679 -6.415 607 2HD2 LEU 74 2HD2 LEU 74 21.645 3.199 -7.005 608 3HD2 LEU 74 3HD2 LEU 74 22.227 4.429 -8.151 609 H THR 75 H THR 75 27.399 6.697 -8.086 610 HA THR 75 HA THR 75 27.728 7.963 -5.705 611 HB THR 75 HB THR 75 28.797 9.791 -6.920 612 HG1 THR 75 HG1 THR 75 28.294 10.213 -8.946 613 1HG2 THR 75 1HG2 THR 75 29.362 6.949 -7.312 614 2HG2 THR 75 2HG2 THR 75 30.482 8.270 -7.745 615 3HG2 THR 75 3HG2 THR 75 29.379 7.615 -8.938 616 H GLY 76 H GLY 76 26.263 8.765 -4.479 617 1HA GLY 76 1HA GLY 76 25.073 11.009 -4.287 618 2HA GLY 76 2HA GLY 76 24.037 10.421 -5.582 619 H ILE 77 H ILE 77 24.260 7.595 -4.622 620 HA ILE 77 HA ILE 77 22.557 7.873 -2.137 621 HB ILE 77 HB ILE 77 22.048 5.672 -4.138 622 1HG1 ILE 77 1HG1 ILE 77 22.099 7.644 -5.556 623 2HG1 ILE 77 2HG1 ILE 77 20.434 7.116 -5.363 624 1HG2 ILE 77 1HG2 ILE 77 19.729 5.877 -3.206 625 2HG2 ILE 77 2HG2 ILE 77 20.242 7.290 -2.218 626 3HG2 ILE 77 3HG2 ILE 77 20.933 5.688 -1.917 627 1HD1 ILE 77 1HD1 ILE 77 21.475 9.767 -4.793 628 2HD1 ILE 77 2HD1 ILE 77 21.109 9.071 -3.234 629 3HD1 ILE 77 3HD1 ILE 77 19.839 9.125 -4.473 630 H ASP 78 H ASP 78 25.210 6.182 -3.789 631 HA ASP 78 HA ASP 78 25.471 4.470 -1.383 632 1HB ASP 78 1HB ASP 78 24.208 3.264 -3.095 633 2HB ASP 78 2HB ASP 78 25.595 3.426 -4.193 634 H ASP 79 H ASP 79 26.910 5.627 -4.424 635 HA ASP 79 HA ASP 79 28.956 6.645 -4.754 636 1HB ASP 79 1HB ASP 79 30.336 7.137 -3.262 637 2HB ASP 79 2HB ASP 79 29.202 6.434 -2.127 638 H ARG 80 H ARG 80 28.446 3.219 -4.190 639 HA ARG 80 HA ARG 80 30.844 2.486 -5.765 640 1HB ARG 80 1HB ARG 80 29.858 1.251 -3.596 641 2HB ARG 80 2HB ARG 80 28.880 0.428 -4.795 642 1HG ARG 80 1HG ARG 80 30.570 -0.933 -5.346 643 2HG ARG 80 2HG ARG 80 31.594 0.438 -5.763 644 1HD ARG 80 1HD ARG 80 31.326 -0.171 -2.809 645 2HD ARG 80 2HD ARG 80 32.233 -1.310 -3.882 646 HE ARG 80 HE ARG 80 32.878 1.436 -4.403 647 1HH1 ARG 80 1HH1 ARG 80 33.565 -1.184 -2.174 648 2HH1 ARG 80 2HH1 ARG 80 35.139 -0.573 -1.723 649 1HH2 ARG 80 1HH2 ARG 80 35.018 2.255 -3.767 650 2HH2 ARG 80 2HH2 ARG 80 35.931 1.342 -2.635 651 H LYS 81 H LYS 81 30.570 0.689 -7.441 652 HA LYS 81 HA LYS 81 28.020 1.146 -8.927 653 1HB LYS 81 1HB LYS 81 29.835 0.304 -10.824 654 2HB LYS 81 2HB LYS 81 29.242 1.944 -10.683 655 1HG LYS 81 1HG LYS 81 31.282 2.796 -10.158 656 2HG LYS 81 2HG LYS 81 31.561 1.615 -8.888 657 1HD LYS 81 1HD LYS 81 32.584 0.042 -10.228 658 2HD LYS 81 2HD LYS 81 31.719 0.593 -11.683 659 1HE LYS 81 1HE LYS 81 33.027 2.663 -11.822 660 2HE LYS 81 2HE LYS 81 33.896 2.305 -10.336 661 1HZ LYS 81 1HZ LYS 81 35.174 1.809 -12.275 662 2HZ LYS 81 2HZ LYS 81 34.085 0.600 -12.780 663 3HZ LYS 81 3HZ LYS 81 34.969 0.430 -11.360 664 H CYS 82 H CYS 82 27.731 -0.741 -10.479 665 HA CYS 82 HA CYS 82 28.970 -3.238 -9.677 666 1HB CYS 82 1HB CYS 82 26.053 -3.681 -9.555 667 2HB CYS 82 2HB CYS 82 27.252 -4.046 -8.328 668 HG CYS 82 HG CYS 82 26.007 -1.020 -8.781 669 H MET 83 H MET 83 27.245 -4.993 -10.780 670 HA MET 83 HA MET 83 27.101 -4.016 -13.637 671 1HB MET 83 1HB MET 83 27.543 -6.817 -12.556 672 2HB MET 83 2HB MET 83 27.432 -6.433 -14.268 673 1HG MET 83 1HG MET 83 29.527 -5.015 -12.561 674 2HG MET 83 2HG MET 83 29.906 -6.628 -13.098 675 1HE MET 83 1HE MET 83 31.850 -4.968 -13.636 676 2HE MET 83 2HE MET 83 31.887 -3.887 -15.051 677 3HE MET 83 3HE MET 83 32.208 -5.634 -15.260 678 H THR 84 H THR 84 25.181 -3.478 -11.846 679 HA THR 84 HA THR 84 23.250 -5.221 -10.994 680 HB THR 84 HB THR 84 22.859 -2.554 -12.299 681 HG1 THR 84 HG1 THR 84 23.070 -1.921 -10.153 682 1HG2 THR 84 1HG2 THR 84 20.825 -4.353 -11.474 683 2HG2 THR 84 2HG2 THR 84 20.629 -2.590 -11.313 684 3HG2 THR 84 3HG2 THR 84 21.184 -3.542 -9.936 685 H THR 85 H THR 85 22.579 -6.950 -12.048 686 HA THR 85 HA THR 85 21.304 -6.684 -14.765 687 HB THR 85 HB THR 85 21.853 -9.262 -13.205 688 HG1 THR 85 HG1 THR 85 23.631 -7.644 -14.297 689 1HG2 THR 85 1HG2 THR 85 20.898 -8.471 -16.002 690 2HG2 THR 85 2HG2 THR 85 20.379 -9.860 -15.026 691 3HG2 THR 85 3HG2 THR 85 21.892 -9.938 -15.885 692 H VAL 86 H VAL 86 19.111 -6.877 -14.903 693 HA VAL 86 HA VAL 86 17.738 -7.523 -12.322 694 HB VAL 86 HB VAL 86 16.989 -5.326 -12.557 695 1HG1 VAL 86 1HG1 VAL 86 16.872 -4.158 -14.761 696 2HG1 VAL 86 2HG1 VAL 86 17.699 -5.562 -15.507 697 3HG1 VAL 86 3HG1 VAL 86 18.488 -4.598 -14.259 698 1HG2 VAL 86 1HG2 VAL 86 14.858 -5.158 -13.857 699 2HG2 VAL 86 2HG2 VAL 86 14.882 -6.721 -13.064 700 3HG2 VAL 86 3HG2 VAL 86 15.241 -6.607 -14.785 701 H SER 87 H SER 87 17.064 -9.548 -12.581 702 HA SER 87 HA SER 87 16.295 -10.564 -15.332 703 1HB SER 87 1HB SER 87 16.985 -11.908 -12.655 704 2HB SER 87 2HB SER 87 16.270 -12.781 -13.985 705 HG SER 87 HG SER 87 18.038 -12.302 -15.205 706 H TRP 88 H TRP 88 14.460 -12.111 -15.406 707 HA TRP 88 HA TRP 88 12.365 -11.338 -13.421 708 1HB TRP 88 1HB TRP 88 10.747 -11.111 -15.052 709 2HB TRP 88 2HB TRP 88 12.145 -10.233 -15.661 710 HD1 TRP 88 HD1 TRP 88 13.660 -11.734 -17.751 711 HE1 TRP 88 HE1 TRP 88 12.642 -13.177 -19.609 712 HE3 TRP 88 HE3 TRP 88 8.976 -12.516 -15.743 713 HZ2 TRP 88 HZ2 TRP 88 10.159 -14.512 -20.163 714 HZ3 TRP 88 HZ3 TRP 88 7.376 -13.879 -16.976 715 HH2 TRP 88 HH2 TRP 88 8.007 -14.852 -19.178 716 H ASP 89 H ASP 89 13.764 -13.486 -12.802 717 HA ASP 89 HA ASP 89 12.999 -15.989 -14.060 718 1HB ASP 89 1HB ASP 89 13.776 -15.491 -11.139 719 2HB ASP 89 2HB ASP 89 13.939 -17.018 -12.009 720 H GLY 90 H GLY 90 10.873 -16.348 -14.213 721 1HA GLY 90 1HA GLY 90 8.786 -16.957 -13.487 722 2HA GLY 90 2HA GLY 90 9.169 -16.392 -11.796 723 H ASP 91 H ASP 91 7.173 -15.273 -11.669 724 HA ASP 91 HA ASP 91 7.051 -12.828 -13.455 725 1HB ASP 91 1HB ASP 91 4.977 -14.357 -11.926 726 2HB ASP 91 2HB ASP 91 4.702 -12.646 -12.295 727 H LYS 92 H LYS 92 9.040 -12.947 -11.588 728 HA LYS 92 HA LYS 92 8.124 -10.923 -9.594 729 1HB LYS 92 1HB LYS 92 10.654 -12.356 -9.086 730 2HB LYS 92 2HB LYS 92 9.413 -11.774 -7.963 731 1HG LYS 92 1HG LYS 92 7.971 -13.772 -9.017 732 2HG LYS 92 2HG LYS 92 9.565 -14.411 -9.418 733 1HD LYS 92 1HD LYS 92 8.962 -13.358 -6.596 734 2HD LYS 92 2HD LYS 92 8.485 -15.000 -7.059 735 1HE LYS 92 1HE LYS 92 10.817 -15.580 -7.517 736 2HE LYS 92 2HE LYS 92 11.365 -13.916 -7.106 737 1HZ LYS 92 1HZ LYS 92 10.752 -14.288 -4.882 738 2HZ LYS 92 2HZ LYS 92 11.590 -15.637 -5.379 739 3HZ LYS 92 3HZ LYS 92 9.919 -15.744 -5.234 740 H LEU 93 H LEU 93 10.669 -10.124 -8.812 741 HA LEU 93 HA LEU 93 12.174 -9.402 -11.264 742 1HB LEU 93 1HB LEU 93 10.322 -7.650 -10.585 743 2HB LEU 93 2HB LEU 93 11.341 -7.261 -9.229 744 HG LEU 93 HG LEU 93 12.359 -7.282 -12.095 745 1HD1 LEU 93 1HD1 LEU 93 10.256 -5.754 -11.558 746 2HD1 LEU 93 2HD1 LEU 93 11.597 -5.007 -12.449 747 3HD1 LEU 93 3HD1 LEU 93 11.362 -4.718 -10.693 748 1HD2 LEU 93 1HD2 LEU 93 13.736 -5.218 -10.763 749 2HD2 LEU 93 2HD2 LEU 93 14.302 -6.892 -10.889 750 3HD2 LEU 93 3HD2 LEU 93 13.462 -6.380 -9.428 751 H GLN 94 H GLN 94 13.969 -10.437 -10.720 752 HA GLN 94 HA GLN 94 15.116 -9.979 -7.966 753 1HB GLN 94 1HB GLN 94 14.641 -12.316 -9.524 754 2HB GLN 94 2HB GLN 94 16.393 -12.151 -9.329 755 1HG GLN 94 1HG GLN 94 15.802 -11.895 -6.737 756 2HG GLN 94 2HG GLN 94 14.205 -12.348 -7.211 757 1HE2 GLN 94 1HE2 GLN 94 14.063 -14.523 -8.544 758 2HE2 GLN 94 2HE2 GLN 94 15.119 -15.828 -8.116 759 H CYS 95 H CYS 95 16.792 -8.655 -7.882 760 HA CYS 95 HA CYS 95 18.654 -8.604 -10.240 761 1HB CYS 95 1HB CYS 95 18.943 -6.277 -9.962 762 2HB CYS 95 2HB CYS 95 17.170 -6.588 -10.013 763 HG CYS 95 HG CYS 95 18.485 -4.653 -8.337 764 H VAL 96 H VAL 96 20.811 -8.350 -9.814 765 HA VAL 96 HA VAL 96 21.735 -8.464 -6.961 766 HB VAL 96 HB VAL 96 22.880 -10.017 -9.277 767 1HG1 VAL 96 1HG1 VAL 96 24.055 -9.044 -6.798 768 2HG1 VAL 96 2HG1 VAL 96 24.839 -9.896 -8.121 769 3HG1 VAL 96 3HG1 VAL 96 24.088 -10.795 -6.794 770 1HG2 VAL 96 1HG2 VAL 96 21.689 -11.910 -8.476 771 2HG2 VAL 96 2HG2 VAL 96 20.667 -10.669 -7.721 772 3HG2 VAL 96 3HG2 VAL 96 22.010 -11.445 -6.812 773 H GLN 97 H GLN 97 22.980 -6.854 -6.506 774 HA GLN 97 HA GLN 97 24.230 -5.159 -8.610 775 1HB GLN 97 1HB GLN 97 23.672 -4.642 -5.685 776 2HB GLN 97 2HB GLN 97 24.039 -3.402 -6.893 777 1HG GLN 97 1HG GLN 97 21.994 -3.595 -8.017 778 2HG GLN 97 2HG GLN 97 21.531 -5.079 -7.211 779 1HE2 GLN 97 1HE2 GLN 97 20.206 -2.326 -7.291 780 2HE2 GLN 97 2HE2 GLN 97 20.011 -1.865 -5.613 781 H LYS 98 H LYS 98 25.664 -7.287 -8.350 782 HA LYS 98 HA LYS 98 27.392 -8.332 -6.913 783 1HB LYS 98 1HB LYS 98 28.177 -6.587 -9.224 784 2HB LYS 98 2HB LYS 98 29.303 -7.605 -8.376 785 1HG LYS 98 1HG LYS 98 26.708 -8.899 -9.221 786 2HG LYS 98 2HG LYS 98 27.825 -8.500 -10.520 787 1HD LYS 98 1HD LYS 98 29.250 -9.699 -8.264 788 2HD LYS 98 2HD LYS 98 27.944 -10.742 -8.764 789 1HE LYS 98 1HE LYS 98 29.962 -9.500 -10.736 790 2HE LYS 98 2HE LYS 98 30.159 -11.144 -10.134 791 1HZ LYS 98 1HZ LYS 98 27.796 -10.287 -11.737 792 2HZ LYS 98 2HZ LYS 98 28.179 -11.842 -11.155 793 3HZ LYS 98 3HZ LYS 98 29.129 -11.118 -12.312 794 H GLY 99 H GLY 99 29.199 -5.445 -7.878 795 1HA GLY 99 1HA GLY 99 30.773 -4.224 -6.740 796 2HA GLY 99 2HA GLY 99 29.417 -3.846 -5.643 797 H GLU 100 H GLU 100 31.003 -7.045 -6.093 798 HA GLU 100 HA GLU 100 32.288 -8.236 -4.541 799 1HB GLU 100 1HB GLU 100 33.418 -5.918 -4.413 800 2HB GLU 100 2HB GLU 100 32.690 -5.851 -2.824 801 1HG GLU 100 1HG GLU 100 34.752 -6.931 -2.386 802 2HG GLU 100 2HG GLU 100 33.648 -8.273 -2.547 803 H LYS 101 H LYS 101 32.198 -7.336 -1.506 804 HA LYS 101 HA LYS 101 30.922 -7.766 0.349 805 1HB LYS 101 1HB LYS 101 28.594 -7.093 -1.460 806 2HB LYS 101 2HB LYS 101 28.685 -7.069 0.321 807 1HG LYS 101 1HG LYS 101 30.701 -5.331 -1.044 808 2HG LYS 101 2HG LYS 101 28.992 -4.870 -1.278 809 1HD LYS 101 1HD LYS 101 29.298 -5.620 1.480 810 2HD LYS 101 2HD LYS 101 30.640 -4.547 1.016 811 1HE LYS 101 1HE LYS 101 27.812 -3.879 0.108 812 2HE LYS 101 2HE LYS 101 28.295 -3.635 1.864 813 1HZ LYS 101 1HZ LYS 101 28.566 -1.675 0.260 814 2HZ LYS 101 2HZ LYS 101 29.891 -2.491 -0.332 815 3HZ LYS 101 3HZ LYS 101 29.840 -2.036 1.288 816 H GLU 102 H GLU 102 29.042 -8.936 1.288 817 HA GLU 102 HA GLU 102 28.985 -11.748 0.449 818 1HB GLU 102 1HB GLU 102 27.511 -10.277 2.684 819 2HB GLU 102 2HB GLU 102 27.675 -12.018 2.496 820 1HG GLU 102 1HG GLU 102 30.110 -10.191 2.788 821 2HG GLU 102 2HG GLU 102 29.248 -10.838 4.182 822 H GLY 103 H GLY 103 26.670 -8.974 0.774 823 1HA GLY 103 1HA GLY 103 24.654 -10.635 -0.678 824 2HA GLY 103 2HA GLY 103 24.259 -9.409 0.453 825 H ARG 104 H ARG 104 23.988 -7.300 -0.214 826 HA ARG 104 HA ARG 104 23.673 -5.559 -1.589 827 1HB ARG 104 1HB ARG 104 26.234 -6.606 -2.302 828 2HB ARG 104 2HB ARG 104 25.476 -5.893 -3.750 829 1HG ARG 104 1HG ARG 104 24.815 -3.918 -2.086 830 2HG ARG 104 2HG ARG 104 26.123 -4.587 -1.141 831 1HD ARG 104 1HD ARG 104 27.591 -4.466 -3.246 832 2HD ARG 104 2HD ARG 104 26.261 -3.648 -4.034 833 HE ARG 104 HE ARG 104 26.475 -1.940 -2.098 834 1HH1 ARG 104 1HH1 ARG 104 29.349 -3.733 -3.293 835 2HH1 ARG 104 2HH1 ARG 104 30.413 -2.463 -2.811 836 1HH2 ARG 104 1HH2 ARG 104 27.961 -0.326 -1.488 837 2HH2 ARG 104 2HH2 ARG 104 29.646 -0.634 -1.808 838 H GLY 105 H GLY 105 21.668 -6.010 -2.194 839 1HA GLY 105 1HA GLY 105 21.039 -6.062 -4.915 840 2HA GLY 105 2HA GLY 105 21.019 -7.787 -4.410 841 H TRP 106 H TRP 106 18.721 -6.245 -5.263 842 HA TRP 106 HA TRP 106 17.217 -6.129 -2.704 843 1HB TRP 106 1HB TRP 106 16.294 -4.925 -5.287 844 2HB TRP 106 2HB TRP 106 15.646 -4.688 -3.688 845 HD1 TRP 106 HD1 TRP 106 19.545 -4.212 -3.745 846 HE1 TRP 106 HE1 TRP 106 20.087 -1.790 -3.529 847 HE3 TRP 106 HE3 TRP 106 14.792 -2.358 -4.372 848 HZ2 TRP 106 HZ2 TRP 106 18.695 0.778 -3.601 849 HZ3 TRP 106 HZ3 TRP 106 14.516 0.133 -4.263 850 HH2 TRP 106 HH2 TRP 106 16.475 1.610 -3.882 851 H THR 107 H THR 107 14.747 -6.810 -3.139 852 HA THR 107 HA THR 107 14.520 -8.699 -5.386 853 HB THR 107 HB THR 107 13.847 -9.702 -2.598 854 HG1 THR 107 HG1 THR 107 16.174 -10.326 -3.994 855 1HG2 THR 107 1HG2 THR 107 13.454 -11.779 -3.832 856 2HG2 THR 107 2HG2 THR 107 14.834 -11.463 -4.909 857 3HG2 THR 107 3HG2 THR 107 13.273 -10.732 -5.224 858 H GLN 108 H GLN 108 12.568 -8.156 -6.263 859 HA GLN 108 HA GLN 108 10.483 -7.024 -4.406 860 1HB GLN 108 1HB GLN 108 11.667 -6.291 -6.981 861 2HB GLN 108 2HB GLN 108 9.962 -6.569 -7.185 862 1HG GLN 108 1HG GLN 108 9.785 -5.065 -5.021 863 2HG GLN 108 2HG GLN 108 11.398 -4.508 -5.549 864 1HE2 GLN 108 1HE2 GLN 108 8.882 -3.018 -5.480 865 2HE2 GLN 108 2HE2 GLN 108 8.508 -2.503 -7.089 866 H TRP 109 H TRP 109 8.864 -8.501 -3.978 867 HA TRP 109 HA TRP 109 7.842 -10.146 -6.245 868 1HB TRP 109 1HB TRP 109 7.760 -12.167 -5.099 869 2HB TRP 109 2HB TRP 109 9.373 -11.579 -4.887 870 HD1 TRP 109 HD1 TRP 109 6.140 -11.135 -2.696 871 HE1 TRP 109 HE1 TRP 109 6.826 -11.511 -0.242 872 HE3 TRP 109 HE3 TRP 109 11.140 -12.039 -3.364 873 HZ2 TRP 109 HZ2 TRP 109 9.183 -12.127 1.276 874 HZ3 TRP 109 HZ3 TRP 109 12.547 -12.495 -1.444 875 HH2 TRP 109 HH2 TRP 109 11.613 -12.551 0.848 876 H ILE 110 H ILE 110 5.651 -10.334 -6.217 877 HA ILE 110 HA ILE 110 4.219 -8.531 -4.343 878 HB ILE 110 HB ILE 110 3.308 -9.863 -6.849 879 1HG1 ILE 110 1HG1 ILE 110 4.216 -7.041 -6.222 880 2HG1 ILE 110 2HG1 ILE 110 5.233 -8.247 -7.006 881 1HG2 ILE 110 1HG2 ILE 110 1.282 -9.270 -5.689 882 2HG2 ILE 110 2HG2 ILE 110 1.627 -7.777 -6.623 883 3HG2 ILE 110 3HG2 ILE 110 2.014 -7.854 -4.905 884 1HD1 ILE 110 1HD1 ILE 110 2.654 -7.035 -8.117 885 2HD1 ILE 110 2HD1 ILE 110 3.409 -8.487 -8.804 886 3HD1 ILE 110 3HD1 ILE 110 4.289 -6.952 -8.819 887 H GLU 111 H GLU 111 2.221 -9.140 -3.400 888 HA GLU 111 HA GLU 111 1.261 -11.871 -3.367 889 1HB GLU 111 1HB GLU 111 3.433 -11.539 -1.778 890 2HB GLU 111 2HB GLU 111 2.280 -10.829 -0.685 891 1HG GLU 111 1HG GLU 111 1.200 -13.351 -1.735 892 2HG GLU 111 2HG GLU 111 2.816 -13.639 -1.088 893 H GLY 112 H GLY 112 -0.887 -11.423 -3.376 894 1HA GLY 112 1HA GLY 112 -2.905 -10.497 -2.950 895 2HA GLY 112 2HA GLY 112 -2.307 -10.240 -1.261 896 H ASP 113 H ASP 113 -0.901 -8.862 -4.273 897 HA ASP 113 HA ASP 113 -0.510 -6.655 -4.929 898 1HB ASP 113 1HB ASP 113 -2.874 -6.005 -3.097 899 2HB ASP 113 2HB ASP 113 -2.132 -4.945 -4.278 900 H GLU 114 H GLU 114 0.266 -7.845 -1.992 901 HA GLU 114 HA GLU 114 1.063 -5.230 -0.820 902 1HB GLU 114 1HB GLU 114 1.488 -7.969 0.456 903 2HB GLU 114 2HB GLU 114 1.502 -6.389 1.234 904 1HG GLU 114 1HG GLU 114 -0.949 -6.191 0.449 905 2HG GLU 114 2HG GLU 114 -0.837 -7.885 0.049 906 H LEU 115 H LEU 115 2.733 -4.704 -2.183 907 HA LEU 115 HA LEU 115 4.810 -6.355 -3.090 908 1HB LEU 115 1HB LEU 115 4.091 -4.047 -3.789 909 2HB LEU 115 2HB LEU 115 4.817 -3.369 -2.358 910 HG LEU 115 HG LEU 115 7.048 -3.951 -3.132 911 1HD1 LEU 115 1HD1 LEU 115 5.533 -5.648 -5.012 912 2HD1 LEU 115 2HD1 LEU 115 7.028 -5.993 -4.156 913 3HD1 LEU 115 3HD1 LEU 115 7.055 -5.001 -5.640 914 1HD2 LEU 115 1HD2 LEU 115 5.656 -1.935 -4.144 915 2HD2 LEU 115 2HD2 LEU 115 5.449 -2.945 -5.611 916 3HD2 LEU 115 3HD2 LEU 115 7.049 -2.429 -5.155 917 H HIS 116 H HIS 116 6.275 -7.384 -1.889 918 HA HIS 116 HA HIS 116 7.046 -6.362 0.838 919 1HB HIS 116 1HB HIS 116 6.670 -9.118 -0.359 920 2HB HIS 116 2HB HIS 116 7.774 -8.806 1.022 921 HD1 HIS 116 HD1 HIS 116 4.983 -6.579 1.391 922 HD2 HIS 116 HD2 HIS 116 5.617 -10.610 2.139 923 HE1 HIS 116 HE1 HIS 116 3.155 -7.250 3.041 924 HE2 HIS 116 HE2 HIS 116 3.589 -9.770 3.466 925 H LEU 117 H LEU 117 8.874 -5.158 0.388 926 HA LEU 117 HA LEU 117 10.838 -6.182 -1.636 927 1HB LEU 117 1HB LEU 117 10.089 -3.790 -1.567 928 2HB LEU 117 2HB LEU 117 10.704 -3.579 -0.056 929 HG LEU 117 HG LEU 117 13.069 -4.174 -0.872 930 1HD1 LEU 117 1HD1 LEU 117 13.343 -4.919 -3.011 931 2HD1 LEU 117 2HD1 LEU 117 12.632 -3.452 -3.625 932 3HD1 LEU 117 3HD1 LEU 117 11.602 -4.856 -3.268 933 1HD2 LEU 117 1HD2 LEU 117 12.484 -1.833 -0.439 934 2HD2 LEU 117 2HD2 LEU 117 11.651 -1.709 -1.998 935 3HD2 LEU 117 3HD2 LEU 117 13.409 -1.919 -1.967 936 H GLU 118 H GLU 118 12.879 -6.788 -1.220 937 HA GLU 118 HA GLU 118 13.686 -6.990 1.669 938 1HB GLU 118 1HB GLU 118 12.982 -9.137 0.942 939 2HB GLU 118 2HB GLU 118 14.082 -9.073 -0.504 940 1HG GLU 118 1HG GLU 118 15.997 -9.007 0.951 941 2HG GLU 118 2HG GLU 118 14.984 -8.736 2.385 942 H MET 119 H MET 119 15.602 -5.913 1.958 943 HA MET 119 HA MET 119 17.419 -5.725 -0.400 944 1HB MET 119 1HB MET 119 16.962 -3.750 1.881 945 2HB MET 119 2HB MET 119 18.311 -3.600 0.728 946 1HG MET 119 1HG MET 119 16.852 -3.102 -1.087 947 2HG MET 119 2HG MET 119 15.455 -3.732 -0.177 948 1HE MET 119 1HE MET 119 15.913 0.380 -0.811 949 2HE MET 119 2HE MET 119 15.871 -1.166 -1.768 950 3HE MET 119 3HE MET 119 17.412 -0.523 -1.068 951 H ARG 120 H ARG 120 19.800 -5.813 0.031 952 HA ARG 120 HA ARG 120 20.442 -6.702 2.766 953 1HB ARG 120 1HB ARG 120 21.616 -8.435 0.696 954 2HB ARG 120 2HB ARG 120 21.096 -8.838 2.307 955 1HG ARG 120 1HG ARG 120 18.836 -8.301 0.447 956 2HG ARG 120 2HG ARG 120 19.823 -9.719 0.088 957 1HD ARG 120 1HD ARG 120 18.439 -8.997 2.732 958 2HD ARG 120 2HD ARG 120 17.913 -10.238 1.566 959 HE ARG 120 HE ARG 120 19.978 -10.516 3.567 960 1HH1 ARG 120 1HH1 ARG 120 19.062 -11.659 0.345 961 2HH1 ARG 120 2HH1 ARG 120 19.949 -13.117 0.477 962 1HH2 ARG 120 1HH2 ARG 120 21.129 -12.433 3.699 963 2HH2 ARG 120 2HH2 ARG 120 21.159 -13.615 2.405 964 H ALA 121 H ALA 121 22.524 -6.248 3.333 965 HA ALA 121 HA ALA 121 24.518 -5.515 1.262 966 1HB ALA 121 1HB ALA 121 24.787 -3.308 1.976 967 2HB ALA 121 2HB ALA 121 23.794 -3.506 3.458 968 3HB ALA 121 3HB ALA 121 23.024 -3.517 1.815 969 H GLU 122 H GLU 122 26.280 -6.592 1.944 970 HA GLU 122 HA GLU 122 27.905 -7.449 3.206 971 1HB GLU 122 1HB GLU 122 27.856 -4.929 3.608 972 2HB GLU 122 2HB GLU 122 27.528 -5.353 5.295 973 1HG GLU 122 1HG GLU 122 29.587 -7.168 4.688 974 2HG GLU 122 2HG GLU 122 29.995 -5.802 3.634 975 H GLY 123 H GLY 123 25.432 -8.777 3.701 976 1HA GLY 123 1HA GLY 123 25.033 -10.633 5.147 977 2HA GLY 123 2HA GLY 123 26.115 -10.005 6.313 978 H VAL 124 H VAL 124 24.287 -7.289 5.592 979 HA VAL 124 HA VAL 124 22.389 -7.687 7.882 980 HB VAL 124 HB VAL 124 22.767 -5.091 6.452 981 1HG1 VAL 124 1HG1 VAL 124 21.887 -4.208 8.448 982 2HG1 VAL 124 2HG1 VAL 124 22.629 -5.444 9.492 983 3HG1 VAL 124 3HG1 VAL 124 21.184 -5.825 8.496 984 1HG2 VAL 124 1HG2 VAL 124 25.123 -5.937 6.823 985 2HG2 VAL 124 2HG2 VAL 124 24.801 -5.941 8.580 986 3HG2 VAL 124 3HG2 VAL 124 24.725 -4.427 7.721 987 H THR 125 H THR 125 20.343 -7.810 7.579 988 HA THR 125 HA THR 125 19.267 -7.496 4.779 989 HB THR 125 HB THR 125 18.295 -9.129 7.126 990 HG1 THR 125 HG1 THR 125 18.730 -10.653 5.201 991 1HG2 THR 125 1HG2 THR 125 16.514 -9.956 5.748 992 2HG2 THR 125 2HG2 THR 125 17.161 -9.232 4.255 993 3HG2 THR 125 3HG2 THR 125 16.446 -8.193 5.485 994 H CYS 126 H CYS 126 17.558 -6.183 4.455 995 HA CYS 126 HA CYS 126 16.226 -4.795 6.757 996 1HB CYS 126 1HB CYS 126 17.267 -2.884 5.933 997 2HB CYS 126 2HB CYS 126 17.777 -3.749 4.431 998 HG CYS 126 HG CYS 126 15.801 -1.525 4.801 999 H LYS 127 H LYS 127 13.984 -4.454 6.395 1000 HA LYS 127 HA LYS 127 12.893 -5.605 3.866 1001 1HB LYS 127 1HB LYS 127 11.569 -6.181 6.447 1002 2HB LYS 127 2HB LYS 127 11.287 -6.890 4.862 1003 1HG LYS 127 1HG LYS 127 13.986 -7.533 5.346 1004 2HG LYS 127 2HG LYS 127 13.290 -7.603 6.958 1005 1HD LYS 127 1HD LYS 127 12.090 -9.003 4.522 1006 2HD LYS 127 2HD LYS 127 13.099 -9.831 5.738 1007 1HE LYS 127 1HE LYS 127 10.860 -8.198 6.821 1008 2HE LYS 127 2HE LYS 127 10.295 -9.552 5.780 1009 1HZ LYS 127 1HZ LYS 127 11.589 -9.626 8.396 1010 2HZ LYS 127 2HZ LYS 127 12.039 -10.819 7.335 1011 3HZ LYS 127 3HZ LYS 127 10.395 -10.601 7.741 1012 H GLN 128 H GLN 128 10.966 -4.630 3.118 1013 HA GLN 128 HA GLN 128 9.779 -2.621 4.929 1014 1HB GLN 128 1HB GLN 128 10.237 -2.183 1.949 1015 2HB GLN 128 2HB GLN 128 9.537 -1.054 3.130 1016 1HG GLN 128 1HG GLN 128 11.686 -0.824 4.231 1017 2HG GLN 128 2HG GLN 128 12.410 -2.136 3.275 1018 1HE2 GLN 128 1HE2 GLN 128 10.576 0.868 2.793 1019 2HE2 GLN 128 2HE2 GLN 128 11.537 1.442 1.459 1020 H VAL 129 H VAL 129 7.523 -2.792 4.952 1021 HA VAL 129 HA VAL 129 6.260 -4.679 3.033 1022 HB VAL 129 HB VAL 129 4.314 -4.291 4.828 1023 1HG1 VAL 129 1HG1 VAL 129 5.860 -6.423 5.894 1024 2HG1 VAL 129 2HG1 VAL 129 6.352 -6.333 4.172 1025 3HG1 VAL 129 3HG1 VAL 129 4.661 -6.504 4.578 1026 1HG2 VAL 129 1HG2 VAL 129 7.001 -4.269 6.349 1027 2HG2 VAL 129 2HG2 VAL 129 5.405 -4.539 7.088 1028 3HG2 VAL 129 3HG2 VAL 129 5.794 -2.941 6.403 1029 H PHE 130 H PHE 130 5.786 -3.341 1.342 1030 HA PHE 130 HA PHE 130 4.457 -0.717 1.761 1031 1HB PHE 130 1HB PHE 130 4.694 -2.171 -0.889 1032 2HB PHE 130 2HB PHE 130 4.472 -0.443 -0.537 1033 HD1 PHE 130 HD1 PHE 130 6.671 -2.155 -2.237 1034 HD2 PHE 130 HD2 PHE 130 6.640 -0.192 1.567 1035 HE1 PHE 130 HE1 PHE 130 9.141 -1.885 -2.383 1036 HE2 PHE 130 HE2 PHE 130 9.077 0.106 1.468 1037 HZ PHE 130 HZ PHE 130 10.348 -0.732 -0.472 1038 H LYS 131 H LYS 131 2.519 -0.338 0.267 1039 HA LYS 131 HA LYS 131 0.701 -2.689 0.229 1040 1HB LYS 131 1HB LYS 131 0.319 -1.628 2.486 1041 2HB LYS 131 2HB LYS 131 0.025 -0.112 1.691 1042 1HG LYS 131 1HG LYS 131 -2.122 -1.073 2.192 1043 2HG LYS 131 2HG LYS 131 -1.922 -1.238 0.411 1044 1HD LYS 131 1HD LYS 131 -1.466 -3.479 0.484 1045 2HD LYS 131 2HD LYS 131 -0.921 -3.440 2.200 1046 1HE LYS 131 1HE LYS 131 -3.093 -4.472 2.257 1047 2HE LYS 131 2HE LYS 131 -3.296 -2.801 2.846 1048 1HZ LYS 131 1HZ LYS 131 -4.523 -2.236 1.096 1049 2HZ LYS 131 2HZ LYS 131 -4.808 -3.889 0.915 1050 3HZ LYS 131 3HZ LYS 131 -3.618 -3.135 -0.004 1051 H LYS 132 H LYS 132 0.550 -2.498 -2.020 1052 HA LYS 132 HA LYS 132 0.390 0.058 -3.410 1053 1HB LYS 132 1HB LYS 132 0.882 -2.316 -4.386 1054 2HB LYS 132 2HB LYS 132 -0.879 -2.516 -4.341 1055 1HG LYS 132 1HG LYS 132 -1.095 -0.385 -5.725 1056 2HG LYS 132 2HG LYS 132 0.721 -0.410 -5.873 1057 1HD LYS 132 1HD LYS 132 0.379 -1.732 -7.688 1058 2HD LYS 132 2HD LYS 132 0.131 -2.997 -6.492 1059 1HE LYS 132 1HE LYS 132 -2.127 -3.133 -6.914 1060 2HE LYS 132 2HE LYS 132 -2.346 -1.397 -7.132 1061 1HZ LYS 132 1HZ LYS 132 -0.923 -3.043 -9.091 1062 2HZ LYS 132 2HZ LYS 132 -1.643 -1.503 -9.302 1063 3HZ LYS 132 3HZ LYS 132 -2.609 -2.850 -9.132 1064 H VAL 133 H VAL 133 -1.310 1.522 -3.404 1065 HA VAL 133 HA VAL 133 -3.904 0.488 -2.413 1066 HB VAL 133 HB VAL 133 -2.658 3.176 -2.409 1067 1HG1 VAL 133 1HG1 VAL 133 -4.933 3.958 -1.545 1068 2HG1 VAL 133 2HG1 VAL 133 -5.596 2.418 -2.048 1069 3HG1 VAL 133 3HG1 VAL 133 -4.891 3.516 -3.260 1070 1HG2 VAL 133 1HG2 VAL 133 -4.061 1.287 -0.399 1071 2HG2 VAL 133 2HG2 VAL 133 -3.200 2.755 0.097 1072 3HG2 VAL 133 3HG2 VAL 133 -2.286 1.380 -0.535 1073 H HIS 134 H HIS 134 -2.663 2.844 -4.801 1074 HA HIS 134 HA HIS 134 -3.510 3.422 -6.953 1075 1HB HIS 134 1HB HIS 134 -3.275 0.786 -6.894 1076 2HB HIS 134 2HB HIS 134 -5.045 0.908 -6.974 1077 HD1 HIS 134 HD1 HIS 134 -5.998 1.369 -9.276 1078 HD2 HIS 134 HD2 HIS 134 -1.895 2.095 -9.189 1079 HE1 HIS 134 HE1 HIS 134 -5.364 1.812 -11.691 1080 HE2 HIS 134 HE2 HIS 134 -2.780 2.256 -11.613 Start of MODEL 19 1 1H PRO 1 1H PRO 1 -0.843 -8.400 -18.561 2 2H PRO 1 2H PRO 1 -1.890 -9.545 -19.100 3 HA PRO 1 HA PRO 1 -1.948 -10.114 -16.940 4 1HB PRO 1 1HB PRO 1 0.167 -11.824 -16.737 5 2HB PRO 1 2HB PRO 1 -1.350 -12.235 -17.630 6 1HG PRO 1 1HG PRO 1 1.339 -11.422 -18.655 7 2HG PRO 1 2HG PRO 1 0.091 -12.303 -19.499 8 1HD PRO 1 1HD PRO 1 0.689 -9.526 -19.930 9 2HD PRO 1 2HD PRO 1 -0.752 -10.358 -20.530 10 H VAL 2 H VAL 2 -0.298 -10.788 -15.109 11 HA VAL 2 HA VAL 2 0.263 -9.184 -13.273 12 HB VAL 2 HB VAL 2 2.731 -10.609 -14.328 13 1HG1 VAL 2 1HG1 VAL 2 2.040 -9.060 -11.916 14 2HG1 VAL 2 2HG1 VAL 2 3.618 -9.701 -12.424 15 3HG1 VAL 2 3HG1 VAL 2 2.541 -10.735 -11.512 16 1HG2 VAL 2 1HG2 VAL 2 0.169 -11.667 -13.258 17 2HG2 VAL 2 2HG2 VAL 2 1.598 -12.286 -12.371 18 3HG2 VAL 2 3HG2 VAL 2 1.473 -12.516 -14.129 19 H ASP 3 H ASP 3 0.010 -7.125 -14.465 20 HA ASP 3 HA ASP 3 2.367 -5.891 -15.603 21 1HB ASP 3 1HB ASP 3 -0.305 -4.727 -14.762 22 2HB ASP 3 2HB ASP 3 1.055 -3.796 -15.519 23 H PHE 4 H PHE 4 3.959 -4.804 -14.547 24 HA PHE 4 HA PHE 4 4.148 -4.931 -11.681 25 1HB PHE 4 1HB PHE 4 5.924 -3.677 -13.725 26 2HB PHE 4 2HB PHE 4 6.225 -3.646 -11.997 27 HD1 PHE 4 HD1 PHE 4 4.606 -6.751 -13.372 28 HD2 PHE 4 HD2 PHE 4 8.270 -4.817 -12.287 29 HE1 PHE 4 HE1 PHE 4 5.730 -8.885 -13.387 30 HE2 PHE 4 HE2 PHE 4 9.425 -6.944 -12.291 31 HZ PHE 4 HZ PHE 4 8.205 -9.063 -12.840 32 H ASN 5 H ASN 5 3.159 -2.243 -13.842 33 HA ASN 5 HA ASN 5 3.719 -0.117 -11.969 34 1HB ASN 5 1HB ASN 5 1.964 1.129 -13.334 35 2HB ASN 5 2HB ASN 5 3.467 0.576 -14.140 36 1HD2 ASN 5 1HD2 ASN 5 1.812 1.065 -15.970 37 2HD2 ASN 5 2HD2 ASN 5 0.940 -0.283 -16.596 38 H GLY 6 H GLY 6 2.458 0.880 -10.310 39 1HA GLY 6 1HA GLY 6 -0.382 0.045 -10.106 40 2HA GLY 6 2HA GLY 6 0.640 -0.585 -8.878 41 H TYR 7 H TYR 7 1.377 0.795 -7.181 42 HA TYR 7 HA TYR 7 1.338 3.495 -7.012 43 1HB TYR 7 1HB TYR 7 -1.381 2.412 -6.907 44 2HB TYR 7 2HB TYR 7 -1.015 3.295 -5.396 45 HD1 TYR 7 HD1 TYR 7 -2.473 3.722 -8.523 46 HD2 TYR 7 HD2 TYR 7 0.505 5.554 -6.073 47 HE1 TYR 7 HE1 TYR 7 -2.790 5.879 -9.759 48 HE2 TYR 7 HE2 TYR 7 0.220 7.633 -7.250 49 HH TYR 7 HH TYR 7 -1.754 7.812 -10.170 50 H TRP 8 H TRP 8 1.269 3.938 -4.436 51 HA TRP 8 HA TRP 8 2.186 1.486 -2.895 52 1HB TRP 8 1HB TRP 8 4.087 2.770 -2.245 53 2HB TRP 8 2HB TRP 8 4.054 2.254 -3.960 54 HD1 TRP 8 HD1 TRP 8 4.010 5.353 -1.712 55 HE1 TRP 8 HE1 TRP 8 3.909 7.547 -2.941 56 HE3 TRP 8 HE3 TRP 8 3.197 3.497 -6.410 57 HZ2 TRP 8 HZ2 TRP 8 3.491 8.392 -5.668 58 HZ3 TRP 8 HZ3 TRP 8 2.944 5.035 -8.267 59 HH2 TRP 8 HH2 TRP 8 3.089 7.484 -7.888 60 H LYS 9 H LYS 9 2.339 1.750 -0.749 61 HA LYS 9 HA LYS 9 2.336 4.308 0.512 62 1HB LYS 9 1HB LYS 9 0.252 4.366 1.702 63 2HB LYS 9 2HB LYS 9 -0.030 4.372 -0.048 64 1HG LYS 9 1HG LYS 9 -0.151 1.684 0.386 65 2HG LYS 9 2HG LYS 9 -0.633 2.279 2.001 66 1HD LYS 9 1HD LYS 9 -2.121 3.973 0.504 67 2HD LYS 9 2HD LYS 9 -2.022 2.739 -0.718 68 1HE LYS 9 1HE LYS 9 -4.002 2.212 0.417 69 2HE LYS 9 2HE LYS 9 -2.922 1.115 1.281 70 1HZ LYS 9 1HZ LYS 9 -3.394 3.840 2.378 71 2HZ LYS 9 2HZ LYS 9 -2.755 2.483 3.093 72 3HZ LYS 9 3HZ LYS 9 -4.410 2.511 2.672 73 H MET 10 H MET 10 4.117 3.573 1.418 74 HA MET 10 HA MET 10 4.625 1.126 2.632 75 1HB MET 10 1HB MET 10 6.276 2.801 2.122 76 2HB MET 10 2HB MET 10 5.753 3.697 3.556 77 1HG MET 10 1HG MET 10 6.629 2.125 5.029 78 2HG MET 10 2HG MET 10 6.300 0.764 3.973 79 1HE MET 10 1HE MET 10 9.674 3.584 2.699 80 2HE MET 10 2HE MET 10 8.240 4.141 3.663 81 3HE MET 10 3HE MET 10 8.051 3.475 2.001 82 H LEU 11 H LEU 11 4.427 0.253 4.550 83 HA LEU 11 HA LEU 11 2.673 1.593 6.576 84 1HB LEU 11 1HB LEU 11 2.354 -0.843 5.526 85 2HB LEU 11 2HB LEU 11 3.559 -1.281 6.644 86 HG LEU 11 HG LEU 11 1.972 -0.262 8.496 87 1HD1 LEU 11 1HD1 LEU 11 0.569 0.368 6.193 88 2HD1 LEU 11 2HD1 LEU 11 -0.168 0.299 7.779 89 3HD1 LEU 11 3HD1 LEU 11 -0.271 -1.121 6.708 90 1HD2 LEU 11 1HD2 LEU 11 2.563 -2.806 7.635 91 2HD2 LEU 11 2HD2 LEU 11 0.876 -2.784 7.085 92 3HD2 LEU 11 3HD2 LEU 11 1.283 -2.562 8.813 93 H SER 12 H SER 12 5.697 -0.200 6.101 94 HA SER 12 HA SER 12 6.964 1.301 8.355 95 1HB SER 12 1HB SER 12 7.677 -1.026 9.242 96 2HB SER 12 2HB SER 12 6.249 -0.146 9.837 97 HG SER 12 HG SER 12 5.235 -1.350 7.934 98 H ASN 13 H ASN 13 9.287 0.857 8.593 99 HA ASN 13 HA ASN 13 10.599 -0.696 6.385 100 1HB ASN 13 1HB ASN 13 11.084 1.293 5.499 101 2HB ASN 13 2HB ASN 13 10.552 2.212 6.919 102 1HD2 ASN 13 1HD2 ASN 13 12.080 2.003 8.915 103 2HD2 ASN 13 2HD2 ASN 13 13.789 2.107 8.572 104 H GLU 14 H GLU 14 13.027 -0.893 7.194 105 HA GLU 14 HA GLU 14 13.375 -0.748 10.151 106 1HB GLU 14 1HB GLU 14 12.590 -2.553 10.746 107 2HB GLU 14 2HB GLU 14 12.170 -2.957 9.057 108 1HG GLU 14 1HG GLU 14 14.596 -3.857 8.831 109 2HG GLU 14 2HG GLU 14 14.742 -3.634 10.562 110 H ASN 15 H ASN 15 15.356 -1.133 10.891 111 HA ASN 15 HA ASN 15 17.628 -1.172 11.035 112 1HB ASN 15 1HB ASN 15 16.800 -3.372 9.480 113 2HB ASN 15 2HB ASN 15 18.361 -2.766 8.828 114 1HD2 ASN 15 1HD2 ASN 15 16.670 -4.120 11.702 115 2HD2 ASN 15 2HD2 ASN 15 18.128 -4.484 12.595 116 H PHE 16 H PHE 16 16.375 0.836 9.285 117 HA PHE 16 HA PHE 16 17.887 1.429 6.984 118 1HB PHE 16 1HB PHE 16 17.027 3.789 7.259 119 2HB PHE 16 2HB PHE 16 15.916 2.471 7.060 120 HD1 PHE 16 HD1 PHE 16 16.989 2.295 10.525 121 HD2 PHE 16 HD2 PHE 16 14.475 4.580 7.884 122 HE1 PHE 16 HE1 PHE 16 15.714 3.070 12.427 123 HE2 PHE 16 HE2 PHE 16 13.191 5.345 9.795 124 HZ PHE 16 HZ PHE 16 13.780 4.607 12.092 125 H GLU 17 H GLU 17 18.862 2.069 10.350 126 HA GLU 17 HA GLU 17 20.982 3.964 9.522 127 1HB GLU 17 1HB GLU 17 20.452 2.669 12.156 128 2HB GLU 17 2HB GLU 17 21.851 3.677 11.846 129 1HG GLU 17 1HG GLU 17 19.855 5.361 10.911 130 2HG GLU 17 2HG GLU 17 19.018 4.449 12.149 131 H GLU 18 H GLU 18 20.735 0.547 10.472 132 HA GLU 18 HA GLU 18 23.584 -0.054 10.257 133 1HB GLU 18 1HB GLU 18 21.280 -1.952 10.023 134 2HB GLU 18 2HB GLU 18 23.005 -2.326 10.228 135 1HG GLU 18 1HG GLU 18 20.959 -1.365 12.201 136 2HG GLU 18 2HG GLU 18 22.307 -2.447 12.500 137 H TYR 19 H TYR 19 20.971 0.288 7.944 138 HA TYR 19 HA TYR 19 22.115 -1.363 5.882 139 1HB TYR 19 1HB TYR 19 19.816 -1.103 5.564 140 2HB TYR 19 2HB TYR 19 19.815 0.482 6.273 141 HD1 TYR 19 HD1 TYR 19 20.301 -1.482 3.169 142 HD2 TYR 19 HD2 TYR 19 20.409 2.494 4.836 143 HE1 TYR 19 HE1 TYR 19 20.311 -0.528 0.900 144 HE2 TYR 19 HE2 TYR 19 20.413 3.460 2.595 145 HH TYR 19 HH TYR 19 20.344 3.042 0.410 146 H LEU 20 H LEU 20 22.240 2.033 6.846 147 HA LEU 20 HA LEU 20 23.589 3.090 4.546 148 1HB LEU 20 1HB LEU 20 23.226 4.089 7.363 149 2HB LEU 20 2HB LEU 20 24.131 4.926 6.205 150 HG LEU 20 HG LEU 20 21.193 4.179 5.964 151 1HD1 LEU 20 1HD1 LEU 20 21.510 5.902 7.757 152 2HD1 LEU 20 2HD1 LEU 20 20.765 6.665 6.343 153 3HD1 LEU 20 3HD1 LEU 20 22.468 6.930 6.662 154 1HD2 LEU 20 1HD2 LEU 20 22.621 6.242 4.152 155 2HD2 LEU 20 2HD2 LEU 20 21.024 5.461 3.932 156 3HD2 LEU 20 3HD2 LEU 20 22.516 4.553 3.723 157 H ARG 21 H ARG 21 24.494 1.551 7.581 158 HA ARG 21 HA ARG 21 27.249 2.465 7.609 159 1HB ARG 21 1HB ARG 21 25.571 1.517 9.478 160 2HB ARG 21 2HB ARG 21 26.238 -0.045 8.963 161 1HG ARG 21 1HG ARG 21 28.492 1.611 9.371 162 2HG ARG 21 2HG ARG 21 27.448 1.974 10.756 163 1HD ARG 21 1HD ARG 21 27.183 -0.447 11.293 164 2HD ARG 21 2HD ARG 21 28.156 -0.904 9.945 165 HE ARG 21 HE ARG 21 29.505 0.962 11.774 166 1HH1 ARG 21 1HH1 ARG 21 28.907 -2.407 10.919 167 2HH1 ARG 21 2HH1 ARG 21 30.338 -2.979 11.759 168 1HH2 ARG 21 1HH2 ARG 21 31.358 0.117 12.888 169 2HH2 ARG 21 2HH2 ARG 21 31.693 -1.565 12.843 170 H ALA 22 H ALA 22 25.486 -0.087 5.976 171 HA ALA 22 HA ALA 22 27.702 -1.899 5.560 172 1HB ALA 22 1HB ALA 22 24.963 -1.553 4.335 173 2HB ALA 22 2HB ALA 22 25.596 -2.827 5.395 174 3HB ALA 22 3HB ALA 22 26.125 -2.752 3.712 175 H LEU 23 H LEU 23 26.602 1.045 4.085 176 HA LEU 23 HA LEU 23 28.480 0.603 1.770 177 1HB LEU 23 1HB LEU 23 26.372 2.719 2.021 178 2HB LEU 23 2HB LEU 23 27.257 2.279 0.600 179 HG LEU 23 HG LEU 23 25.471 0.256 1.992 180 1HD1 LEU 23 1HD1 LEU 23 24.349 2.189 -0.005 181 2HD1 LEU 23 2HD1 LEU 23 24.224 2.459 1.730 182 3HD1 LEU 23 3HD1 LEU 23 23.442 1.046 1.035 183 1HD2 LEU 23 1HD2 LEU 23 25.019 -0.399 -0.527 184 2HD2 LEU 23 2HD2 LEU 23 26.674 -0.731 0.052 185 3HD2 LEU 23 3HD2 LEU 23 26.301 0.713 -0.947 186 H ASP 24 H ASP 24 28.463 2.197 4.701 187 HA ASP 24 HA ASP 24 29.782 3.951 5.609 188 1HB ASP 24 1HB ASP 24 31.420 3.055 3.292 189 2HB ASP 24 2HB ASP 24 31.887 4.462 4.267 190 H VAL 25 H VAL 25 27.739 5.302 4.976 191 HA VAL 25 HA VAL 25 28.223 7.212 2.739 192 HB VAL 25 HB VAL 25 26.063 6.257 2.731 193 1HG1 VAL 25 1HG1 VAL 25 26.269 6.427 5.637 194 2HG1 VAL 25 2HG1 VAL 25 25.243 5.373 4.623 195 3HG1 VAL 25 3HG1 VAL 25 24.732 7.025 5.070 196 1HG2 VAL 25 1HG2 VAL 25 26.400 9.141 3.398 197 2HG2 VAL 25 2HG2 VAL 25 24.721 8.544 3.636 198 3HG2 VAL 25 3HG2 VAL 25 25.523 8.383 2.061 199 H ASN 26 H ASN 26 26.401 8.556 5.426 200 HA ASN 26 HA ASN 26 28.838 9.784 6.597 201 1HB ASN 26 1HB ASN 26 27.643 11.026 4.573 202 2HB ASN 26 2HB ASN 26 26.934 11.832 5.962 203 1HD2 ASN 26 1HD2 ASN 26 29.228 12.426 3.891 204 2HD2 ASN 26 2HD2 ASN 26 30.508 13.137 4.860 205 H VAL 27 H VAL 27 28.323 11.023 8.485 206 HA VAL 27 HA VAL 27 26.319 9.777 10.211 207 HB VAL 27 HB VAL 27 28.621 10.628 10.883 208 1HG1 VAL 27 1HG1 VAL 27 27.553 13.117 10.203 209 2HG1 VAL 27 2HG1 VAL 27 28.908 12.853 11.299 210 3HG1 VAL 27 3HG1 VAL 27 27.255 13.080 11.945 211 1HG2 VAL 27 1HG2 VAL 27 25.977 10.406 12.313 212 2HG2 VAL 27 2HG2 VAL 27 27.194 11.370 13.156 213 3HG2 VAL 27 3HG2 VAL 27 27.503 9.666 12.720 214 H ALA 28 H ALA 28 26.452 12.584 8.250 215 HA ALA 28 HA ALA 28 24.448 14.264 9.562 216 1HB ALA 28 1HB ALA 28 26.079 15.366 8.390 217 2HB ALA 28 2HB ALA 28 24.539 15.502 7.479 218 3HB ALA 28 3HB ALA 28 25.853 14.382 6.926 219 H LEU 29 H LEU 29 24.610 11.785 6.996 220 HA LEU 29 HA LEU 29 21.903 12.335 6.110 221 1HB LEU 29 1HB LEU 29 23.520 11.459 4.602 222 2HB LEU 29 2HB LEU 29 23.737 10.031 5.599 223 HG LEU 29 HG LEU 29 21.219 9.514 5.153 224 1HD1 LEU 29 1HD1 LEU 29 20.097 10.733 3.346 225 2HD1 LEU 29 2HD1 LEU 29 21.577 11.701 3.033 226 3HD1 LEU 29 3HD1 LEU 29 20.690 11.871 4.553 227 1HD2 LEU 29 1HD2 LEU 29 23.151 9.626 2.786 228 2HD2 LEU 29 2HD2 LEU 29 21.566 8.786 2.693 229 3HD2 LEU 29 3HD2 LEU 29 22.819 8.238 3.823 230 H ARG 30 H ARG 30 23.414 9.853 8.166 231 HA ARG 30 HA ARG 30 21.340 8.038 8.529 232 1HB ARG 30 1HB ARG 30 23.929 8.600 9.501 233 2HB ARG 30 2HB ARG 30 22.925 8.261 10.934 234 1HG ARG 30 1HG ARG 30 22.190 6.122 9.615 235 2HG ARG 30 2HG ARG 30 23.587 6.505 8.572 236 1HD ARG 30 1HD ARG 30 23.739 6.207 11.565 237 2HD ARG 30 2HD ARG 30 23.891 4.851 10.512 238 HE ARG 30 HE ARG 30 25.904 6.914 10.966 239 1HH1 ARG 30 1HH1 ARG 30 24.872 4.597 8.430 240 2HH1 ARG 30 2HH1 ARG 30 26.495 4.634 7.738 241 1HH2 ARG 30 1HH2 ARG 30 27.824 6.832 10.009 242 2HH2 ARG 30 2HH2 ARG 30 28.158 5.896 8.608 243 H LYS 31 H LYS 31 21.819 11.185 9.896 244 HA LYS 31 HA LYS 31 20.162 10.900 12.283 245 1HB LYS 31 1HB LYS 31 22.028 12.639 11.796 246 2HB LYS 31 2HB LYS 31 20.751 13.465 10.884 247 1HG LYS 31 1HG LYS 31 19.316 13.279 13.064 248 2HG LYS 31 2HG LYS 31 20.869 12.933 13.878 249 1HD LYS 31 1HD LYS 31 21.097 15.206 14.041 250 2HD LYS 31 2HD LYS 31 21.632 15.008 12.374 251 1HE LYS 31 1HE LYS 31 20.050 16.703 12.059 252 2HE LYS 31 2HE LYS 31 18.994 15.271 11.854 253 1HZ LYS 31 1HZ LYS 31 19.028 17.208 13.962 254 2HZ LYS 31 2HZ LYS 31 18.974 15.638 14.535 255 3HZ LYS 31 3HZ LYS 31 17.789 16.168 13.416 256 H ILE 32 H ILE 32 19.780 12.280 8.981 257 HA ILE 32 HA ILE 32 16.980 13.072 9.411 258 HB ILE 32 HB ILE 32 18.418 12.711 6.781 259 1HG1 ILE 32 1HG1 ILE 32 19.055 14.581 8.988 260 2HG1 ILE 32 2HG1 ILE 32 19.959 14.240 7.518 261 1HG2 ILE 32 1HG2 ILE 32 15.783 13.322 7.170 262 2HG2 ILE 32 2HG2 ILE 32 16.741 14.093 5.878 263 3HG2 ILE 32 3HG2 ILE 32 16.441 14.924 7.443 264 1HD1 ILE 32 1HD1 ILE 32 17.996 15.900 6.490 265 2HD1 ILE 32 2HD1 ILE 32 19.561 16.440 7.185 266 3HD1 ILE 32 3HD1 ILE 32 18.093 16.462 8.167 267 H ALA 33 H ALA 33 18.768 10.439 7.772 268 HA ALA 33 HA ALA 33 16.678 9.196 6.386 269 1HB ALA 33 1HB ALA 33 19.352 8.573 7.122 270 2HB ALA 33 2HB ALA 33 18.301 7.959 5.796 271 3HB ALA 33 3HB ALA 33 18.365 7.148 7.409 272 H ASN 34 H ASN 34 18.010 8.308 9.593 273 HA ASN 34 HA ASN 34 15.943 6.454 10.200 274 1HB ASN 34 1HB ASN 34 17.898 6.048 11.286 275 2HB ASN 34 2HB ASN 34 18.128 7.732 11.738 276 1HD2 ASN 34 1HD2 ASN 34 18.053 7.777 14.064 277 2HD2 ASN 34 2HD2 ASN 34 16.852 6.982 15.002 278 H LEU 35 H LEU 35 14.056 7.652 9.680 279 HA LEU 35 HA LEU 35 12.442 8.624 11.723 280 1HB LEU 35 1HB LEU 35 14.379 10.600 10.867 281 2HB LEU 35 2HB LEU 35 12.715 11.162 10.633 282 HG LEU 35 HG LEU 35 13.468 9.735 13.186 283 1HD1 LEU 35 1HD1 LEU 35 15.264 11.578 12.814 284 2HD1 LEU 35 2HD1 LEU 35 14.281 11.746 14.268 285 3HD1 LEU 35 3HD1 LEU 35 13.951 12.774 12.881 286 1HD2 LEU 35 1HD2 LEU 35 11.313 11.661 12.263 287 2HD2 LEU 35 2HD2 LEU 35 11.781 11.783 13.947 288 3HD2 LEU 35 3HD2 LEU 35 11.192 10.250 13.313 289 H LEU 36 H LEU 36 13.458 9.077 8.260 290 HA LEU 36 HA LEU 36 10.745 9.782 7.477 291 1HB LEU 36 1HB LEU 36 13.308 9.185 5.970 292 2HB LEU 36 2HB LEU 36 11.874 9.536 5.137 293 HG LEU 36 HG LEU 36 13.074 11.461 7.204 294 1HD1 LEU 36 1HD1 LEU 36 14.434 12.519 5.375 295 2HD1 LEU 36 2HD1 LEU 36 14.076 11.083 4.364 296 3HD1 LEU 36 3HD1 LEU 36 14.970 10.906 5.853 297 1HD2 LEU 36 1HD2 LEU 36 10.766 11.798 5.840 298 2HD2 LEU 36 2HD2 LEU 36 11.841 12.352 4.538 299 3HD2 LEU 36 3HD2 LEU 36 11.823 13.206 6.076 300 H LYS 37 H LYS 37 9.563 8.447 5.848 301 HA LYS 37 HA LYS 37 10.527 5.643 5.538 302 1HB LYS 37 1HB LYS 37 8.027 4.937 5.844 303 2HB LYS 37 2HB LYS 37 8.960 5.308 7.292 304 1HG LYS 37 1HG LYS 37 7.915 7.657 7.277 305 2HG LYS 37 2HG LYS 37 6.881 7.135 5.942 306 1HD LYS 37 1HD LYS 37 5.847 5.400 7.300 307 2HD LYS 37 2HD LYS 37 7.009 5.628 8.607 308 1HE LYS 37 1HE LYS 37 6.000 7.796 9.192 309 2HE LYS 37 2HE LYS 37 5.187 7.899 7.621 310 1HZ LYS 37 1HZ LYS 37 3.892 7.122 9.739 311 2HZ LYS 37 2HZ LYS 37 4.419 5.607 9.267 312 3HZ LYS 37 3HZ LYS 37 3.548 6.520 8.187 313 HA PRO 38 HA PRO 38 9.830 7.470 1.494 314 1HB PRO 38 1HB PRO 38 10.517 4.571 0.824 315 2HB PRO 38 2HB PRO 38 11.035 6.055 0.023 316 1HG PRO 38 1HG PRO 38 12.700 4.901 1.733 317 2HG PRO 38 2HG PRO 38 12.479 6.669 1.887 318 1HD PRO 38 1HD PRO 38 11.177 4.445 3.508 319 2HD PRO 38 2HD PRO 38 11.856 5.966 4.083 320 H ASP 39 H ASP 39 9.193 6.150 -0.652 321 HA ASP 39 HA ASP 39 6.600 4.780 -0.436 322 1HB ASP 39 1HB ASP 39 5.603 6.617 -1.913 323 2HB ASP 39 2HB ASP 39 5.916 7.055 -0.223 324 H LYS 40 H LYS 40 5.955 4.216 -2.870 325 HA LYS 40 HA LYS 40 8.389 4.424 -4.611 326 1HB LYS 40 1HB LYS 40 8.160 2.347 -2.914 327 2HB LYS 40 2HB LYS 40 7.406 1.632 -4.359 328 1HG LYS 40 1HG LYS 40 9.476 2.630 -5.648 329 2HG LYS 40 2HG LYS 40 10.217 2.626 -4.040 330 1HD LYS 40 1HD LYS 40 10.207 0.244 -3.908 331 2HD LYS 40 2HD LYS 40 8.738 0.168 -4.924 332 1HE LYS 40 1HE LYS 40 10.026 -0.232 -6.757 333 2HE LYS 40 2HE LYS 40 10.835 1.310 -6.544 334 1HZ LYS 40 1HZ LYS 40 12.420 0.354 -5.075 335 2HZ LYS 40 2HZ LYS 40 12.387 -0.542 -6.509 336 3HZ LYS 40 3HZ LYS 40 11.647 -1.139 -5.134 337 H GLU 41 H GLU 41 7.790 4.943 -6.477 338 HA GLU 41 HA GLU 41 5.111 4.022 -7.566 339 1HB GLU 41 1HB GLU 41 5.537 6.584 -7.436 340 2HB GLU 41 2HB GLU 41 6.918 6.315 -8.477 341 1HG GLU 41 1HG GLU 41 4.905 5.095 -9.958 342 2HG GLU 41 2HG GLU 41 4.008 6.408 -9.269 343 H ILE 42 H ILE 42 5.522 2.178 -8.528 344 HA ILE 42 HA ILE 42 7.999 1.999 -10.193 345 HB ILE 42 HB ILE 42 5.912 -0.119 -9.665 346 1HG1 ILE 42 1HG1 ILE 42 8.705 0.301 -8.458 347 2HG1 ILE 42 2HG1 ILE 42 7.146 0.411 -7.654 348 1HG2 ILE 42 1HG2 ILE 42 8.699 -0.277 -10.987 349 2HG2 ILE 42 2HG2 ILE 42 7.184 -0.245 -11.903 350 3HG2 ILE 42 3HG2 ILE 42 7.529 -1.631 -10.827 351 1HD1 ILE 42 1HD1 ILE 42 8.132 -2.256 -8.850 352 2HD1 ILE 42 2HD1 ILE 42 6.640 -1.940 -7.988 353 3HD1 ILE 42 3HD1 ILE 42 8.219 -1.785 -7.144 354 H VAL 43 H VAL 43 7.963 2.207 -12.349 355 HA VAL 43 HA VAL 43 5.344 2.273 -13.736 356 HB VAL 43 HB VAL 43 7.667 3.633 -14.985 357 1HG1 VAL 43 1HG1 VAL 43 4.984 4.960 -14.512 358 2HG1 VAL 43 2HG1 VAL 43 5.007 3.601 -15.652 359 3HG1 VAL 43 3HG1 VAL 43 5.997 5.001 -15.992 360 1HG2 VAL 43 1HG2 VAL 43 7.921 4.279 -12.567 361 2HG2 VAL 43 2HG2 VAL 43 6.231 4.779 -12.508 362 3HG2 VAL 43 3HG2 VAL 43 7.380 5.741 -13.462 363 H GLN 44 H GLN 44 5.206 0.663 -15.244 364 HA GLN 44 HA GLN 44 7.587 -0.317 -16.649 365 1HB GLN 44 1HB GLN 44 6.077 -1.845 -14.602 366 2HB GLN 44 2HB GLN 44 6.059 -2.608 -16.203 367 1HG GLN 44 1HG GLN 44 8.653 -1.739 -14.942 368 2HG GLN 44 2HG GLN 44 7.920 -3.303 -14.576 369 1HE2 GLN 44 1HE2 GLN 44 8.200 -4.965 -15.925 370 2HE2 GLN 44 2HE2 GLN 44 8.977 -4.960 -17.494 371 H ASP 45 H ASP 45 6.943 0.218 -18.674 372 HA ASP 45 HA ASP 45 4.108 0.239 -19.379 373 1HB ASP 45 1HB ASP 45 5.360 1.974 -20.297 374 2HB ASP 45 2HB ASP 45 6.800 0.952 -20.610 375 H GLY 46 H GLY 46 7.104 -1.512 -20.387 376 1HA GLY 46 1HA GLY 46 5.473 -3.926 -20.769 377 2HA GLY 46 2HA GLY 46 6.212 -3.311 -22.291 378 H ASP 47 H ASP 47 8.597 -3.057 -22.376 379 HA ASP 47 HA ASP 47 9.966 -5.041 -20.570 380 1HB ASP 47 1HB ASP 47 10.729 -4.181 -23.347 381 2HB ASP 47 2HB ASP 47 11.523 -5.397 -22.357 382 H HIS 48 H HIS 48 9.459 -1.809 -21.063 383 HA HIS 48 HA HIS 48 12.236 -1.026 -20.340 384 1HB HIS 48 1HB HIS 48 9.826 0.560 -21.295 385 2HB HIS 48 2HB HIS 48 11.391 1.326 -20.871 386 HD1 HIS 48 HD1 HIS 48 10.481 1.863 -23.700 387 HD2 HIS 48 HD2 HIS 48 12.694 -1.581 -22.580 388 HE1 HIS 48 HE1 HIS 48 11.663 0.979 -25.801 389 HE2 HIS 48 HE2 HIS 48 12.996 -1.105 -25.107 390 H MET 49 H MET 49 12.283 -1.165 -18.072 391 HA MET 49 HA MET 49 9.912 -0.222 -16.508 392 1HB MET 49 1HB MET 49 10.725 -2.291 -15.854 393 2HB MET 49 2HB MET 49 12.394 -1.820 -15.999 394 1HG MET 49 1HG MET 49 12.241 -0.333 -14.043 395 2HG MET 49 2HG MET 49 10.498 -0.725 -13.869 396 1HE MET 49 1HE MET 49 10.423 -1.826 -11.442 397 2HE MET 49 2HE MET 49 10.677 -3.599 -11.460 398 3HE MET 49 3HE MET 49 9.621 -2.865 -12.690 399 H ILE 50 H ILE 50 9.944 1.287 -14.882 400 HA ILE 50 HA ILE 50 12.412 2.918 -14.561 401 HB ILE 50 HB ILE 50 9.687 4.237 -14.961 402 1HG1 ILE 50 1HG1 ILE 50 11.904 4.193 -17.070 403 2HG1 ILE 50 2HG1 ILE 50 10.559 3.037 -17.060 404 1HG2 ILE 50 1HG2 ILE 50 10.852 6.269 -14.657 405 2HG2 ILE 50 2HG2 ILE 50 12.330 5.606 -15.409 406 3HG2 ILE 50 3HG2 ILE 50 11.971 5.236 -13.743 407 1HD1 ILE 50 1HD1 ILE 50 10.370 6.084 -17.224 408 2HD1 ILE 50 2HD1 ILE 50 8.953 4.975 -17.244 409 3HD1 ILE 50 3HD1 ILE 50 10.135 4.971 -18.570 410 H ILE 51 H ILE 51 12.643 3.257 -12.521 411 HA ILE 51 HA ILE 51 10.311 2.892 -10.635 412 HB ILE 51 HB ILE 51 13.303 2.396 -10.289 413 1HG1 ILE 51 1HG1 ILE 51 11.861 0.234 -9.262 414 2HG1 ILE 51 2HG1 ILE 51 10.903 0.716 -10.634 415 1HG2 ILE 51 1HG2 ILE 51 12.296 1.690 -7.845 416 2HG2 ILE 51 2HG2 ILE 51 11.037 2.847 -8.272 417 3HG2 ILE 51 3HG2 ILE 51 12.727 3.393 -8.173 418 1HD1 ILE 51 1HD1 ILE 51 13.945 0.428 -10.940 419 2HD1 ILE 51 2HD1 ILE 51 12.697 0.253 -12.196 420 3HD1 ILE 51 3HD1 ILE 51 12.959 -1.015 -10.988 421 H ARG 52 H ARG 52 9.637 4.641 -9.694 422 HA ARG 52 HA ARG 52 11.379 7.048 -9.459 423 1HB ARG 52 1HB ARG 52 9.473 7.285 -10.968 424 2HB ARG 52 2HB ARG 52 8.375 6.663 -9.714 425 1HG ARG 52 1HG ARG 52 8.006 8.866 -9.353 426 2HG ARG 52 2HG ARG 52 9.434 8.751 -8.305 427 1HD ARG 52 1HD ARG 52 10.866 9.729 -9.874 428 2HD ARG 52 2HD ARG 52 9.857 9.394 -11.264 429 HE ARG 52 HE ARG 52 9.522 11.548 -9.230 430 1HH1 ARG 52 1HH1 ARG 52 8.243 10.094 -12.242 431 2HH1 ARG 52 2HH1 ARG 52 7.306 11.485 -12.586 432 1HH2 ARG 52 1HH2 ARG 52 8.278 13.325 -9.763 433 2HH2 ARG 52 2HH2 ARG 52 7.313 13.334 -11.196 434 H THR 53 H THR 53 12.246 6.359 -7.348 435 HA THR 53 HA THR 53 10.210 5.971 -5.235 436 HB THR 53 HB THR 53 13.268 6.125 -5.088 437 HG1 THR 53 HG1 THR 53 11.908 3.801 -4.500 438 1HG2 THR 53 1HG2 THR 53 11.302 4.933 -3.006 439 2HG2 THR 53 2HG2 THR 53 11.655 6.664 -2.920 440 3HG2 THR 53 3HG2 THR 53 12.973 5.477 -2.719 441 H LEU 54 H LEU 54 9.587 7.586 -4.002 442 HA LEU 54 HA LEU 54 10.631 10.322 -4.513 443 1HB LEU 54 1HB LEU 54 8.095 9.131 -4.479 444 2HB LEU 54 2HB LEU 54 8.106 10.414 -3.303 445 HG LEU 54 HG LEU 54 8.891 10.542 -6.255 446 1HD1 LEU 54 1HD1 LEU 54 6.705 12.223 -5.051 447 2HD1 LEU 54 2HD1 LEU 54 6.398 10.474 -5.315 448 3HD1 LEU 54 3HD1 LEU 54 6.835 11.529 -6.653 449 1HD2 LEU 54 1HD2 LEU 54 10.329 12.297 -5.484 450 2HD2 LEU 54 2HD2 LEU 54 9.524 12.295 -3.925 451 3HD2 LEU 54 3HD2 LEU 54 8.807 13.193 -5.313 452 H SER 55 H SER 55 12.350 9.657 -2.859 453 HA SER 55 HA SER 55 11.573 9.930 0.001 454 1HB SER 55 1HB SER 55 14.350 10.241 -1.302 455 2HB SER 55 2HB SER 55 13.983 9.976 0.435 456 HG SER 55 HG SER 55 13.119 8.103 -1.449 457 H THR 56 H THR 56 10.900 11.806 0.701 458 HA THR 56 HA THR 56 10.934 14.337 -0.692 459 HB THR 56 HB THR 56 9.355 14.234 1.060 460 HG1 THR 56 HG1 THR 56 10.119 16.214 1.389 461 1HG2 THR 56 1HG2 THR 56 11.507 12.830 2.665 462 2HG2 THR 56 2HG2 THR 56 9.770 12.607 2.721 463 3HG2 THR 56 3HG2 THR 56 10.485 13.993 3.542 464 H PHE 57 H PHE 57 13.466 12.621 1.077 465 HA PHE 57 HA PHE 57 15.066 15.141 0.981 466 1HB PHE 57 1HB PHE 57 14.505 13.501 3.224 467 2HB PHE 57 2HB PHE 57 16.136 13.023 2.708 468 HD1 PHE 57 HD1 PHE 57 14.092 15.776 3.984 469 HD2 PHE 57 HD2 PHE 57 18.065 14.692 2.871 470 HE1 PHE 57 HE1 PHE 57 14.897 17.810 5.107 471 HE2 PHE 57 HE2 PHE 57 18.929 16.715 3.976 472 HZ PHE 57 HZ PHE 57 17.373 18.307 5.102 473 H ARG 58 H ARG 58 16.124 15.021 -0.775 474 HA ARG 58 HA ARG 58 17.594 14.338 -2.472 475 1HB ARG 58 1HB ARG 58 18.421 12.602 -0.214 476 2HB ARG 58 2HB ARG 58 19.145 12.370 -1.820 477 1HG ARG 58 1HG ARG 58 19.060 14.984 -0.329 478 2HG ARG 58 2HG ARG 58 20.459 13.914 -0.291 479 1HD ARG 58 1HD ARG 58 19.970 14.056 -3.014 480 2HD ARG 58 2HD ARG 58 19.485 15.680 -2.532 481 HE ARG 58 HE ARG 58 22.172 14.455 -1.999 482 1HH1 ARG 58 1HH1 ARG 58 20.255 17.416 -2.514 483 2HH1 ARG 58 2HH1 ARG 58 21.652 18.415 -2.510 484 1HH2 ARG 58 1HH2 ARG 58 23.926 15.764 -1.982 485 2HH2 ARG 58 2HH2 ARG 58 23.739 17.463 -2.197 486 H ASN 59 H ASN 59 16.076 13.852 -3.871 487 HA ASN 59 HA ASN 59 14.404 11.728 -4.289 488 1HB ASN 59 1HB ASN 59 15.451 11.803 -6.776 489 2HB ASN 59 2HB ASN 59 14.224 12.903 -6.172 490 1HD2 ASN 59 1HD2 ASN 59 14.661 15.081 -5.792 491 2HD2 ASN 59 2HD2 ASN 59 16.174 15.805 -6.209 492 H TYR 60 H TYR 60 14.527 9.668 -5.237 493 HA TYR 60 HA TYR 60 17.247 8.497 -5.656 494 1HB TYR 60 1HB TYR 60 15.862 7.939 -3.413 495 2HB TYR 60 2HB TYR 60 15.121 6.709 -4.565 496 HD1 TYR 60 HD1 TYR 60 18.008 7.622 -2.536 497 HD2 TYR 60 HD2 TYR 60 16.728 5.276 -5.906 498 HE1 TYR 60 HE1 TYR 60 20.123 6.242 -2.383 499 HE2 TYR 60 HE2 TYR 60 18.786 3.924 -5.751 500 HH TYR 60 HH TYR 60 20.466 3.352 -3.717 501 H ILE 61 H ILE 61 16.999 8.538 -7.940 502 HA ILE 61 HA ILE 61 14.666 6.950 -8.959 503 HB ILE 61 HB ILE 61 15.552 9.678 -9.818 504 1HG1 ILE 61 1HG1 ILE 61 12.682 9.085 -9.964 505 2HG1 ILE 61 2HG1 ILE 61 13.268 8.491 -8.466 506 1HG2 ILE 61 1HG2 ILE 61 14.163 7.473 -11.474 507 2HG2 ILE 61 2HG2 ILE 61 15.548 8.436 -11.952 508 3HG2 ILE 61 3HG2 ILE 61 13.927 9.190 -11.866 509 1HD1 ILE 61 1HD1 ILE 61 13.921 11.427 -9.171 510 2HD1 ILE 61 2HD1 ILE 61 13.924 10.616 -7.607 511 3HD1 ILE 61 3HD1 ILE 61 12.396 10.950 -8.441 512 H MET 62 H MET 62 14.940 5.767 -10.793 513 HA MET 62 HA MET 62 17.534 5.846 -12.239 514 1HB MET 62 1HB MET 62 16.238 3.236 -11.319 515 2HB MET 62 2HB MET 62 17.878 3.481 -11.938 516 1HG MET 62 1HG MET 62 17.469 4.870 -9.353 517 2HG MET 62 2HG MET 62 16.958 3.156 -9.277 518 1HE MET 62 1HE MET 62 20.239 4.348 -7.814 519 2HE MET 62 2HE MET 62 19.477 5.497 -8.957 520 3HE MET 62 3HE MET 62 21.087 4.828 -9.305 521 H ASP 63 H ASP 63 17.131 3.696 -13.891 522 HA ASP 63 HA ASP 63 14.408 3.363 -14.722 523 1HB ASP 63 1HB ASP 63 15.246 4.406 -17.090 524 2HB ASP 63 2HB ASP 63 14.430 5.498 -15.922 525 H PHE 64 H PHE 64 14.561 1.341 -15.523 526 HA PHE 64 HA PHE 64 17.246 0.378 -16.484 527 1HB PHE 64 1HB PHE 64 15.044 -0.772 -14.846 528 2HB PHE 64 2HB PHE 64 16.230 -1.835 -15.647 529 HD1 PHE 64 HD1 PHE 64 18.668 0.115 -15.198 530 HD2 PHE 64 HD2 PHE 64 15.496 -1.265 -12.612 531 HE1 PHE 64 HE1 PHE 64 20.101 0.487 -13.204 532 HE2 PHE 64 HE2 PHE 64 16.952 -0.902 -10.620 533 HZ PHE 64 HZ PHE 64 19.225 -0.031 -10.944 534 H GLN 65 H GLN 65 16.804 -1.962 -17.526 535 HA GLN 65 HA GLN 65 14.454 -1.970 -19.369 536 1HB GLN 65 1HB GLN 65 17.352 -2.496 -20.121 537 2HB GLN 65 2HB GLN 65 15.989 -2.849 -21.147 538 1HG GLN 65 1HG GLN 65 15.300 -0.390 -21.014 539 2HG GLN 65 2HG GLN 65 16.878 -0.057 -20.272 540 1HE2 GLN 65 1HE2 GLN 65 15.524 -1.956 -23.000 541 2HE2 GLN 65 2HE2 GLN 65 16.713 -1.450 -24.194 542 H VAL 66 H VAL 66 13.489 -3.437 -18.142 543 HA VAL 66 HA VAL 66 14.604 -5.595 -16.743 544 HB VAL 66 HB VAL 66 11.868 -5.726 -18.076 545 1HG1 VAL 66 1HG1 VAL 66 11.766 -7.674 -16.934 546 2HG1 VAL 66 2HG1 VAL 66 11.824 -6.751 -15.427 547 3HG1 VAL 66 3HG1 VAL 66 13.331 -7.361 -16.116 548 1HG2 VAL 66 1HG2 VAL 66 11.500 -4.692 -15.485 549 2HG2 VAL 66 2HG2 VAL 66 11.512 -3.750 -16.977 550 3HG2 VAL 66 3HG2 VAL 66 12.987 -3.885 -15.963 551 H GLY 67 H GLY 67 15.164 -7.585 -17.208 552 1HA GLY 67 1HA GLY 67 15.643 -9.557 -18.396 553 2HA GLY 67 2HA GLY 67 14.697 -8.936 -19.715 554 H LYS 68 H LYS 68 17.095 -6.715 -18.617 555 HA LYS 68 HA LYS 68 19.099 -7.603 -20.614 556 1HB LYS 68 1HB LYS 68 17.502 -5.912 -21.628 557 2HB LYS 68 2HB LYS 68 18.078 -4.745 -20.480 558 1HG LYS 68 1HG LYS 68 19.641 -4.194 -21.905 559 2HG LYS 68 2HG LYS 68 20.484 -5.675 -21.373 560 1HD LYS 68 1HD LYS 68 20.392 -5.835 -23.796 561 2HD LYS 68 2HD LYS 68 19.095 -6.922 -23.207 562 1HE LYS 68 1HE LYS 68 17.403 -5.284 -23.704 563 2HE LYS 68 2HE LYS 68 18.641 -4.023 -24.083 564 1HZ LYS 68 1HZ LYS 68 18.413 -4.628 -26.170 565 2HZ LYS 68 2HZ LYS 68 17.547 -6.014 -25.805 566 3HZ LYS 68 3HZ LYS 68 19.259 -6.003 -25.748 567 H GLU 69 H GLU 69 21.182 -7.371 -19.876 568 HA GLU 69 HA GLU 69 21.676 -6.558 -17.139 569 1HB GLU 69 1HB GLU 69 22.971 -8.197 -18.193 570 2HB GLU 69 2HB GLU 69 23.500 -7.077 -19.468 571 1HG GLU 69 1HG GLU 69 24.556 -5.593 -17.669 572 2HG GLU 69 2HG GLU 69 24.232 -6.915 -16.516 573 H PHE 70 H PHE 70 22.755 -4.663 -16.407 574 HA PHE 70 HA PHE 70 23.435 -2.509 -18.362 575 1HB PHE 70 1HB PHE 70 21.987 -0.890 -17.127 576 2HB PHE 70 2HB PHE 70 21.168 -2.077 -18.188 577 HD1 PHE 70 HD1 PHE 70 22.301 -1.732 -14.611 578 HD2 PHE 70 HD2 PHE 70 19.182 -3.071 -17.271 579 HE1 PHE 70 HE1 PHE 70 20.909 -2.356 -12.715 580 HE2 PHE 70 HE2 PHE 70 17.801 -3.674 -15.361 581 HZ PHE 70 HZ PHE 70 18.624 -3.340 -13.035 582 H GLU 71 H GLU 71 24.595 -0.772 -17.140 583 HA GLU 71 HA GLU 71 25.861 -1.863 -14.671 584 1HB GLU 71 1HB GLU 71 27.706 -0.469 -15.096 585 2HB GLU 71 2HB GLU 71 27.247 -1.265 -16.654 586 1HG GLU 71 1HG GLU 71 25.959 0.972 -17.169 587 2HG GLU 71 2HG GLU 71 26.693 1.599 -15.733 588 H GLU 72 H GLU 72 25.299 -1.101 -12.834 589 HA GLU 72 HA GLU 72 23.372 1.076 -12.506 590 1HB GLU 72 1HB GLU 72 23.359 -0.991 -11.233 591 2HB GLU 72 2HB GLU 72 24.907 -0.517 -10.462 592 1HG GLU 72 1HG GLU 72 23.871 1.313 -9.334 593 2HG GLU 72 2HG GLU 72 22.414 1.224 -10.322 594 H ASP 73 H ASP 73 24.746 2.918 -13.493 595 HA ASP 73 HA ASP 73 27.139 3.690 -12.133 596 1HB ASP 73 1HB ASP 73 25.075 5.282 -13.684 597 2HB ASP 73 2HB ASP 73 26.553 5.992 -12.945 598 H LEU 74 H LEU 74 27.443 4.752 -10.261 599 HA LEU 74 HA LEU 74 25.126 6.039 -8.881 600 1HB LEU 74 1HB LEU 74 25.622 3.471 -8.398 601 2HB LEU 74 2HB LEU 74 26.589 4.197 -7.136 602 HG LEU 74 HG LEU 74 24.530 5.752 -6.683 603 1HD1 LEU 74 1HD1 LEU 74 23.252 5.238 -8.659 604 2HD1 LEU 74 2HD1 LEU 74 22.329 4.788 -7.242 605 3HD1 LEU 74 3HD1 LEU 74 23.103 3.518 -8.203 606 1HD2 LEU 74 1HD2 LEU 74 23.764 4.173 -5.026 607 2HD2 LEU 74 2HD2 LEU 74 25.397 3.546 -5.369 608 3HD2 LEU 74 3HD2 LEU 74 24.007 2.777 -6.133 609 H THR 75 H THR 75 26.137 8.110 -8.868 610 HA THR 75 HA THR 75 28.690 8.213 -7.292 611 HB THR 75 HB THR 75 29.246 8.736 -9.554 612 HG1 THR 75 HG1 THR 75 28.831 11.146 -8.135 613 1HG2 THR 75 1HG2 THR 75 27.325 11.127 -9.770 614 2HG2 THR 75 2HG2 THR 75 26.671 9.527 -10.031 615 3HG2 THR 75 3HG2 THR 75 28.021 10.113 -11.050 616 H GLY 76 H GLY 76 27.105 8.451 -5.475 617 1HA GLY 76 1HA GLY 76 26.909 10.871 -4.355 618 2HA GLY 76 2HA GLY 76 25.490 10.940 -5.476 619 H ILE 77 H ILE 77 26.574 10.106 -2.412 620 HA ILE 77 HA ILE 77 25.559 9.264 -0.574 621 HB ILE 77 HB ILE 77 23.106 8.553 -2.150 622 1HG1 ILE 77 1HG1 ILE 77 23.277 11.224 -0.731 623 2HG1 ILE 77 2HG1 ILE 77 24.076 11.113 -2.284 624 1HG2 ILE 77 1HG2 ILE 77 22.286 9.551 0.287 625 2HG2 ILE 77 2HG2 ILE 77 23.906 8.933 0.719 626 3HG2 ILE 77 3HG2 ILE 77 22.665 7.830 0.092 627 1HD1 ILE 77 1HD1 ILE 77 21.591 11.938 -2.296 628 2HD1 ILE 77 2HD1 ILE 77 21.187 10.207 -2.179 629 3HD1 ILE 77 3HD1 ILE 77 22.103 10.821 -3.534 630 H ASP 78 H ASP 78 26.656 7.497 -0.155 631 HA ASP 78 HA ASP 78 26.865 5.197 0.228 632 1HB ASP 78 1HB ASP 78 25.184 4.584 -2.148 633 2HB ASP 78 2HB ASP 78 25.733 3.502 -0.867 634 H ASP 79 H ASP 79 27.144 6.462 -3.094 635 HA ASP 79 HA ASP 79 28.522 5.955 -4.902 636 1HB ASP 79 1HB ASP 79 30.914 6.168 -4.314 637 2HB ASP 79 2HB ASP 79 29.762 7.479 -3.989 638 H ARG 80 H ARG 80 28.139 3.775 -5.672 639 HA ARG 80 HA ARG 80 30.092 1.728 -4.568 640 1HB ARG 80 1HB ARG 80 27.621 1.416 -4.060 641 2HB ARG 80 2HB ARG 80 27.383 1.070 -5.746 642 1HG ARG 80 1HG ARG 80 28.820 -0.869 -5.628 643 2HG ARG 80 2HG ARG 80 29.472 -0.398 -4.093 644 1HD ARG 80 1HD ARG 80 27.617 -2.270 -4.209 645 2HD ARG 80 2HD ARG 80 27.569 -1.115 -2.864 646 HE ARG 80 HE ARG 80 26.004 -0.033 -5.039 647 1HH1 ARG 80 1HH1 ARG 80 25.859 -2.797 -2.856 648 2HH1 ARG 80 2HH1 ARG 80 24.115 -2.894 -2.948 649 1HH2 ARG 80 1HH2 ARG 80 23.738 -0.201 -5.120 650 2HH2 ARG 80 2HH2 ARG 80 23.004 -1.457 -4.195 651 H LYS 81 H LYS 81 27.940 1.999 -7.367 652 HA LYS 81 HA LYS 81 28.275 1.839 -9.637 653 1HB LYS 81 1HB LYS 81 30.788 2.874 -8.797 654 2HB LYS 81 2HB LYS 81 31.260 1.375 -9.519 655 1HG LYS 81 1HG LYS 81 29.559 3.444 -10.970 656 2HG LYS 81 2HG LYS 81 31.306 3.279 -11.160 657 1HD LYS 81 1HD LYS 81 29.221 1.048 -11.734 658 2HD LYS 81 2HD LYS 81 30.076 1.996 -12.940 659 1HE LYS 81 1HE LYS 81 32.165 0.909 -11.458 660 2HE LYS 81 2HE LYS 81 30.973 -0.399 -11.330 661 1HZ LYS 81 1HZ LYS 81 30.803 -0.184 -13.839 662 2HZ LYS 81 2HZ LYS 81 32.255 -0.821 -13.203 663 3HZ LYS 81 3HZ LYS 81 32.207 0.732 -13.795 664 H CYS 82 H CYS 82 27.725 -0.102 -10.464 665 HA CYS 82 HA CYS 82 29.447 -2.422 -10.071 666 1HB CYS 82 1HB CYS 82 26.644 -3.212 -9.537 667 2HB CYS 82 2HB CYS 82 28.128 -3.645 -8.686 668 HG CYS 82 HG CYS 82 26.144 -1.006 -8.338 669 H MET 83 H MET 83 27.928 -4.351 -10.985 670 HA MET 83 HA MET 83 26.736 -3.305 -13.503 671 1HB MET 83 1HB MET 83 27.518 -5.194 -14.739 672 2HB MET 83 2HB MET 83 28.950 -4.470 -13.972 673 1HG MET 83 1HG MET 83 28.684 -6.260 -12.120 674 2HG MET 83 2HG MET 83 27.480 -7.032 -13.105 675 1HE MET 83 1HE MET 83 30.001 -5.667 -15.837 676 2HE MET 83 2HE MET 83 28.421 -6.523 -16.014 677 3HE MET 83 3HE MET 83 29.968 -7.314 -16.511 678 H THR 84 H THR 84 24.816 -4.528 -14.075 679 HA THR 84 HA THR 84 23.974 -6.551 -12.088 680 HB THR 84 HB THR 84 23.168 -3.784 -12.091 681 HG1 THR 84 HG1 THR 84 24.159 -4.362 -10.313 682 1HG2 THR 84 1HG2 THR 84 20.961 -4.178 -11.128 683 2HG2 THR 84 2HG2 THR 84 21.249 -5.947 -11.050 684 3HG2 THR 84 3HG2 THR 84 20.932 -5.160 -12.600 685 H THR 85 H THR 85 22.181 -7.790 -12.704 686 HA THR 85 HA THR 85 20.963 -7.225 -15.368 687 HB THR 85 HB THR 85 21.729 -9.987 -14.237 688 HG1 THR 85 HG1 THR 85 23.318 -9.893 -15.945 689 1HG2 THR 85 1HG2 THR 85 21.666 -10.010 -17.085 690 2HG2 THR 85 2HG2 THR 85 20.191 -9.110 -16.580 691 3HG2 THR 85 3HG2 THR 85 20.464 -10.749 -15.973 692 H VAL 86 H VAL 86 18.863 -6.750 -14.715 693 HA VAL 86 HA VAL 86 17.649 -8.360 -12.548 694 HB VAL 86 HB VAL 86 15.714 -6.803 -12.754 695 1HG1 VAL 86 1HG1 VAL 86 17.246 -4.525 -12.470 696 2HG1 VAL 86 2HG1 VAL 86 18.395 -5.823 -12.045 697 3HG1 VAL 86 3HG1 VAL 86 16.847 -5.663 -11.206 698 1HG2 VAL 86 1HG2 VAL 86 17.248 -5.704 -15.155 699 2HG2 VAL 86 2HG2 VAL 86 16.126 -4.668 -14.209 700 3HG2 VAL 86 3HG2 VAL 86 15.523 -6.123 -15.022 701 H SER 87 H SER 87 15.852 -9.630 -12.907 702 HA SER 87 HA SER 87 14.969 -10.052 -15.681 703 1HB SER 87 1HB SER 87 17.114 -11.683 -14.452 704 2HB SER 87 2HB SER 87 15.807 -12.600 -15.226 705 HG SER 87 HG SER 87 17.412 -10.610 -16.338 706 H TRP 88 H TRP 88 13.531 -11.980 -15.871 707 HA TRP 88 HA TRP 88 11.799 -12.234 -13.481 708 1HB TRP 88 1HB TRP 88 11.122 -13.420 -16.210 709 2HB TRP 88 2HB TRP 88 10.079 -12.983 -14.874 710 HD1 TRP 88 HD1 TRP 88 9.727 -10.233 -14.423 711 HE1 TRP 88 HE1 TRP 88 9.611 -8.305 -16.175 712 HE3 TRP 88 HE3 TRP 88 11.953 -12.645 -18.402 713 HZ2 TRP 88 HZ2 TRP 88 10.363 -7.904 -18.828 714 HZ3 TRP 88 HZ3 TRP 88 12.201 -11.389 -20.556 715 HH2 TRP 88 HH2 TRP 88 11.409 -9.064 -20.707 716 H ASP 89 H ASP 89 11.876 -14.015 -12.341 717 HA ASP 89 HA ASP 89 13.173 -16.442 -13.522 718 1HB ASP 89 1HB ASP 89 12.378 -15.666 -10.640 719 2HB ASP 89 2HB ASP 89 12.999 -17.316 -11.037 720 H GLY 90 H GLY 90 10.476 -15.546 -11.259 721 1HA GLY 90 1HA GLY 90 8.630 -16.910 -13.053 722 2HA GLY 90 2HA GLY 90 8.912 -17.772 -11.447 723 H ASP 91 H ASP 91 7.558 -14.975 -13.016 724 HA ASP 91 HA ASP 91 6.062 -13.366 -12.310 725 1HB ASP 91 1HB ASP 91 5.510 -15.487 -10.333 726 2HB ASP 91 2HB ASP 91 4.575 -13.946 -10.407 727 H LYS 92 H LYS 92 8.866 -13.275 -11.304 728 HA LYS 92 HA LYS 92 8.435 -11.277 -9.183 729 1HB LYS 92 1HB LYS 92 10.058 -13.806 -8.770 730 2HB LYS 92 2HB LYS 92 10.717 -12.330 -8.162 731 1HG LYS 92 1HG LYS 92 9.241 -12.244 -6.400 732 2HG LYS 92 2HG LYS 92 7.856 -12.657 -7.377 733 1HD LYS 92 1HD LYS 92 8.077 -14.396 -5.853 734 2HD LYS 92 2HD LYS 92 8.670 -15.103 -7.370 735 1HE LYS 92 1HE LYS 92 10.972 -13.859 -6.158 736 2HE LYS 92 2HE LYS 92 10.053 -14.528 -4.799 737 1HZ LYS 92 1HZ LYS 92 10.888 -16.147 -7.125 738 2HZ LYS 92 2HZ LYS 92 10.140 -16.670 -5.694 739 3HZ LYS 92 3HZ LYS 92 11.690 -16.047 -5.619 740 H LEU 93 H LEU 93 10.533 -10.126 -8.746 741 HA LEU 93 HA LEU 93 12.169 -10.030 -11.252 742 1HB LEU 93 1HB LEU 93 10.670 -8.005 -10.747 743 2HB LEU 93 2HB LEU 93 11.575 -7.724 -9.285 744 HG LEU 93 HG LEU 93 12.826 -7.756 -12.103 745 1HD1 LEU 93 1HD1 LEU 93 12.747 -5.255 -12.057 746 2HD1 LEU 93 2HD1 LEU 93 12.019 -5.252 -10.460 747 3HD1 LEU 93 3HD1 LEU 93 11.101 -5.866 -11.816 748 1HD2 LEU 93 1HD2 LEU 93 14.555 -8.077 -10.303 749 2HD2 LEU 93 2HD2 LEU 93 13.884 -6.670 -9.450 750 3HD2 LEU 93 3HD2 LEU 93 14.690 -6.436 -10.990 751 H GLN 94 H GLN 94 14.181 -10.768 -10.803 752 HA GLN 94 HA GLN 94 15.139 -10.674 -7.978 753 1HB GLN 94 1HB GLN 94 16.076 -12.348 -10.306 754 2HB GLN 94 2HB GLN 94 16.837 -12.332 -8.694 755 1HG GLN 94 1HG GLN 94 14.032 -13.277 -9.450 756 2HG GLN 94 2HG GLN 94 15.368 -14.229 -8.808 757 1HE2 GLN 94 1HE2 GLN 94 16.172 -13.633 -6.594 758 2HE2 GLN 94 2HE2 GLN 94 14.991 -13.170 -5.396 759 H CYS 95 H CYS 95 17.446 -10.167 -7.608 760 HA CYS 95 HA CYS 95 18.800 -8.879 -9.916 761 1HB CYS 95 1HB CYS 95 18.948 -7.184 -7.495 762 2HB CYS 95 2HB CYS 95 18.800 -6.719 -9.203 763 HG CYS 95 HG CYS 95 16.765 -5.693 -8.714 764 H VAL 96 H VAL 96 20.946 -8.812 -9.785 765 HA VAL 96 HA VAL 96 22.378 -9.742 -7.319 766 HB VAL 96 HB VAL 96 22.973 -10.722 -10.135 767 1HG1 VAL 96 1HG1 VAL 96 24.458 -12.364 -8.623 768 2HG1 VAL 96 2HG1 VAL 96 24.448 -10.970 -7.525 769 3HG1 VAL 96 3HG1 VAL 96 25.033 -10.821 -9.222 770 1HG2 VAL 96 1HG2 VAL 96 21.882 -12.326 -7.764 771 2HG2 VAL 96 2HG2 VAL 96 22.239 -12.956 -9.409 772 3HG2 VAL 96 3HG2 VAL 96 20.916 -11.823 -9.153 773 H GLN 97 H GLN 97 23.368 -8.034 -6.736 774 HA GLN 97 HA GLN 97 24.557 -6.150 -8.728 775 1HB GLN 97 1HB GLN 97 24.123 -5.998 -5.731 776 2HB GLN 97 2HB GLN 97 25.247 -4.913 -6.568 777 1HG GLN 97 1HG GLN 97 22.834 -4.136 -6.110 778 2HG GLN 97 2HG GLN 97 23.557 -3.769 -7.654 779 1HE2 GLN 97 1HE2 GLN 97 21.624 -3.675 -8.958 780 2HE2 GLN 97 2HE2 GLN 97 20.541 -4.997 -9.171 781 H LYS 98 H LYS 98 26.611 -6.694 -9.455 782 HA LYS 98 HA LYS 98 28.120 -8.695 -8.005 783 1HB LYS 98 1HB LYS 98 28.237 -7.662 -10.548 784 2HB LYS 98 2HB LYS 98 29.817 -7.280 -9.826 785 1HG LYS 98 1HG LYS 98 29.747 -9.762 -8.945 786 2HG LYS 98 2HG LYS 98 28.636 -10.019 -10.280 787 1HD LYS 98 1HD LYS 98 30.254 -9.495 -11.956 788 2HD LYS 98 2HD LYS 98 31.170 -8.473 -10.884 789 1HE LYS 98 1HE LYS 98 30.916 -11.404 -10.124 790 2HE LYS 98 2HE LYS 98 32.030 -11.012 -11.430 791 1HZ LYS 98 1HZ LYS 98 32.882 -10.933 -8.973 792 2HZ LYS 98 2HZ LYS 98 32.131 -9.414 -8.951 793 3HZ LYS 98 3HZ LYS 98 33.372 -9.766 -10.061 794 H GLY 99 H GLY 99 29.728 -5.573 -8.889 795 1HA GLY 99 1HA GLY 99 31.381 -4.455 -7.685 796 2HA GLY 99 2HA GLY 99 30.033 -4.347 -6.499 797 H GLU 100 H GLU 100 31.268 -4.405 -4.739 798 HA GLU 100 HA GLU 100 33.044 -6.816 -4.367 799 1HB GLU 100 1HB GLU 100 33.060 -4.716 -2.375 800 2HB GLU 100 2HB GLU 100 34.365 -5.691 -2.978 801 1HG GLU 100 1HG GLU 100 33.053 -3.315 -4.387 802 2HG GLU 100 2HG GLU 100 34.707 -3.358 -3.831 803 H LYS 101 H LYS 101 33.050 -6.730 -1.594 804 HA LYS 101 HA LYS 101 31.901 -7.469 0.327 805 1HB LYS 101 1HB LYS 101 30.230 -5.656 -0.878 806 2HB LYS 101 2HB LYS 101 29.160 -7.036 -0.607 807 1HG LYS 101 1HG LYS 101 28.962 -6.550 1.518 808 2HG LYS 101 2HG LYS 101 30.682 -6.758 1.823 809 1HD LYS 101 1HD LYS 101 29.921 -4.206 0.393 810 2HD LYS 101 2HD LYS 101 29.328 -4.377 2.054 811 1HE LYS 101 1HE LYS 101 31.526 -4.461 2.970 812 2HE LYS 101 2HE LYS 101 32.275 -4.721 1.316 813 1HZ LYS 101 1HZ LYS 101 32.464 -2.423 2.015 814 2HZ LYS 101 2HZ LYS 101 30.817 -2.330 2.291 815 3HZ LYS 101 3HZ LYS 101 31.364 -2.564 0.716 816 H GLU 102 H GLU 102 29.550 -8.787 0.681 817 HA GLU 102 HA GLU 102 29.647 -11.181 -1.107 818 1HB GLU 102 1HB GLU 102 29.078 -12.132 1.425 819 2HB GLU 102 2HB GLU 102 30.545 -12.370 0.534 820 1HG GLU 102 1HG GLU 102 30.083 -9.897 2.236 821 2HG GLU 102 2HG GLU 102 30.787 -11.340 2.941 822 H GLY 103 H GLY 103 27.604 -8.766 -0.205 823 1HA GLY 103 1HA GLY 103 25.241 -10.580 -0.226 824 2HA GLY 103 2HA GLY 103 25.391 -9.601 1.119 825 H ARG 104 H ARG 104 26.116 -8.657 -2.364 826 HA ARG 104 HA ARG 104 24.312 -6.392 -1.898 827 1HB ARG 104 1HB ARG 104 26.185 -7.004 -4.163 828 2HB ARG 104 2HB ARG 104 25.241 -5.531 -4.037 829 1HG ARG 104 1HG ARG 104 26.339 -5.177 -1.679 830 2HG ARG 104 2HG ARG 104 27.394 -6.520 -2.112 831 1HD ARG 104 1HD ARG 104 28.361 -5.319 -3.973 832 2HD ARG 104 2HD ARG 104 27.003 -4.173 -4.041 833 HE ARG 104 HE ARG 104 27.999 -3.811 -1.505 834 1HH1 ARG 104 1HH1 ARG 104 29.521 -3.574 -4.720 835 2HH1 ARG 104 2HH1 ARG 104 30.691 -2.404 -4.181 836 1HH2 ARG 104 1HH2 ARG 104 29.524 -2.254 -0.866 837 2HH2 ARG 104 2HH2 ARG 104 30.671 -1.664 -2.021 838 H GLY 105 H GLY 105 22.278 -6.153 -2.751 839 1HA GLY 105 1HA GLY 105 21.284 -6.857 -5.198 840 2HA GLY 105 2HA GLY 105 21.356 -8.434 -4.418 841 H TRP 106 H TRP 106 19.039 -7.215 -5.292 842 HA TRP 106 HA TRP 106 17.493 -6.784 -2.754 843 1HB TRP 106 1HB TRP 106 16.718 -5.793 -5.478 844 2HB TRP 106 2HB TRP 106 16.021 -5.430 -3.898 845 HD1 TRP 106 HD1 TRP 106 18.952 -4.773 -2.449 846 HE1 TRP 106 HE1 TRP 106 19.995 -2.420 -2.874 847 HE3 TRP 106 HE3 TRP 106 16.406 -3.445 -6.827 848 HZ2 TRP 106 HZ2 TRP 106 19.775 -0.371 -4.758 849 HZ3 TRP 106 HZ3 TRP 106 16.922 -1.310 -7.822 850 HH2 TRP 106 HH2 TRP 106 18.626 0.232 -6.771 851 H THR 107 H THR 107 15.133 -7.430 -3.184 852 HA THR 107 HA THR 107 14.671 -9.500 -5.288 853 HB THR 107 HB THR 107 14.876 -10.266 -2.368 854 HG1 THR 107 HG1 THR 107 16.557 -11.129 -3.227 855 1HG2 THR 107 1HG2 THR 107 12.662 -11.167 -3.138 856 2HG2 THR 107 2HG2 THR 107 13.786 -12.506 -3.469 857 3HG2 THR 107 3HG2 THR 107 13.332 -11.422 -4.767 858 H GLN 108 H GLN 108 12.802 -8.728 -6.076 859 HA GLN 108 HA GLN 108 10.906 -7.306 -4.279 860 1HB GLN 108 1HB GLN 108 11.586 -7.484 -7.150 861 2HB GLN 108 2HB GLN 108 9.897 -7.557 -6.892 862 1HG GLN 108 1HG GLN 108 10.589 -5.447 -5.240 863 2HG GLN 108 2HG GLN 108 11.690 -5.227 -6.601 864 1HE2 GLN 108 1HE2 GLN 108 10.913 -4.438 -8.562 865 2HE2 GLN 108 2HE2 GLN 108 9.204 -4.170 -8.884 866 H TRP 109 H TRP 109 8.533 -7.778 -4.700 867 HA TRP 109 HA TRP 109 7.568 -10.226 -5.763 868 1HB TRP 109 1HB TRP 109 8.754 -11.346 -3.881 869 2HB TRP 109 2HB TRP 109 7.905 -10.337 -2.730 870 HD1 TRP 109 HD1 TRP 109 4.918 -10.856 -4.560 871 HE1 TRP 109 HE1 TRP 109 3.738 -13.010 -3.994 872 HE3 TRP 109 HE3 TRP 109 8.818 -13.495 -2.276 873 HZ2 TRP 109 HZ2 TRP 109 4.210 -15.433 -2.816 874 HZ3 TRP 109 HZ3 TRP 109 8.331 -15.727 -1.485 875 HH2 TRP 109 HH2 TRP 109 6.015 -16.740 -1.738 876 H ILE 110 H ILE 110 5.856 -9.402 -6.489 877 HA ILE 110 HA ILE 110 4.309 -7.337 -4.992 878 HB ILE 110 HB ILE 110 4.093 -8.463 -7.742 879 1HG1 ILE 110 1HG1 ILE 110 5.183 -5.851 -6.599 880 2HG1 ILE 110 2HG1 ILE 110 6.100 -7.167 -7.307 881 1HG2 ILE 110 1HG2 ILE 110 2.616 -5.938 -6.725 882 2HG2 ILE 110 2HG2 ILE 110 1.883 -7.529 -6.686 883 3HG2 ILE 110 3HG2 ILE 110 2.345 -6.841 -8.243 884 1HD1 ILE 110 1HD1 ILE 110 5.828 -6.154 -9.374 885 2HD1 ILE 110 2HD1 ILE 110 4.945 -4.847 -8.545 886 3HD1 ILE 110 3HD1 ILE 110 4.064 -6.223 -9.214 887 H GLU 111 H GLU 111 2.535 -7.776 -3.888 888 HA GLU 111 HA GLU 111 1.216 -10.423 -4.216 889 1HB GLU 111 1HB GLU 111 0.734 -8.600 -1.884 890 2HB GLU 111 2HB GLU 111 0.531 -10.351 -1.923 891 1HG GLU 111 1HG GLU 111 3.244 -10.128 -2.446 892 2HG GLU 111 2HG GLU 111 3.014 -8.710 -1.441 893 H GLY 112 H GLY 112 -1.219 -9.659 -2.873 894 1HA GLY 112 1HA GLY 112 -2.382 -7.893 -4.988 895 2HA GLY 112 2HA GLY 112 -3.257 -9.053 -3.871 896 H ASP 113 H ASP 113 -2.261 -5.824 -4.460 897 HA ASP 113 HA ASP 113 -2.747 -3.859 -3.357 898 1HB ASP 113 1HB ASP 113 -3.714 -5.342 -0.931 899 2HB ASP 113 2HB ASP 113 -4.143 -3.706 -1.533 900 H GLU 114 H GLU 114 -0.391 -5.953 -2.881 901 HA GLU 114 HA GLU 114 0.891 -4.135 -0.844 902 1HB GLU 114 1HB GLU 114 1.098 -7.099 -0.637 903 2HB GLU 114 2HB GLU 114 1.828 -5.910 0.421 904 1HG GLU 114 1HG GLU 114 -0.838 -5.230 0.746 905 2HG GLU 114 2HG GLU 114 -0.936 -6.968 0.472 906 H LEU 115 H LEU 115 3.031 -4.078 -0.960 907 HA LEU 115 HA LEU 115 4.424 -5.561 -3.165 908 1HB LEU 115 1HB LEU 115 4.281 -3.175 -3.736 909 2HB LEU 115 2HB LEU 115 4.536 -2.631 -2.132 910 HG LEU 115 HG LEU 115 6.968 -3.294 -2.312 911 1HD1 LEU 115 1HD1 LEU 115 7.028 -5.193 -3.675 912 2HD1 LEU 115 2HD1 LEU 115 7.446 -3.950 -4.886 913 3HD1 LEU 115 3HD1 LEU 115 5.783 -4.571 -4.774 914 1HD2 LEU 115 1HD2 LEU 115 6.938 -2.006 -4.924 915 2HD2 LEU 115 2HD2 LEU 115 7.162 -1.199 -3.354 916 3HD2 LEU 115 3HD2 LEU 115 5.552 -1.328 -4.046 917 H HIS 116 H HIS 116 5.942 -6.962 -2.342 918 HA HIS 116 HA HIS 116 6.821 -6.441 0.489 919 1HB HIS 116 1HB HIS 116 5.417 -8.518 -0.031 920 2HB HIS 116 2HB HIS 116 6.749 -9.056 -1.084 921 HD1 HIS 116 HD1 HIS 116 9.131 -9.170 0.257 922 HD2 HIS 116 HD2 HIS 116 5.643 -9.309 2.573 923 HE1 HIS 116 HE1 HIS 116 9.797 -10.158 2.535 924 HE2 HIS 116 HE2 HIS 116 7.638 -10.230 3.926 925 H LEU 117 H LEU 117 8.873 -5.658 0.483 926 HA LEU 117 HA LEU 117 10.719 -6.721 -1.667 927 1HB LEU 117 1HB LEU 117 10.210 -4.487 -2.272 928 2HB LEU 117 2HB LEU 117 10.046 -3.976 -0.696 929 HG LEU 117 HG LEU 117 12.775 -4.739 -1.819 930 1HD1 LEU 117 1HD1 LEU 117 12.314 -3.152 -3.429 931 2HD1 LEU 117 2HD1 LEU 117 12.914 -2.122 -2.117 932 3HD1 LEU 117 3HD1 LEU 117 11.152 -2.300 -2.436 933 1HD2 LEU 117 1HD2 LEU 117 13.356 -2.722 -0.132 934 2HD2 LEU 117 2HD2 LEU 117 13.138 -4.375 0.448 935 3HD2 LEU 117 3HD2 LEU 117 11.824 -3.165 0.631 936 H GLU 118 H GLU 118 12.912 -6.936 -1.029 937 HA GLU 118 HA GLU 118 13.513 -6.434 1.859 938 1HB GLU 118 1HB GLU 118 14.293 -8.635 2.325 939 2HB GLU 118 2HB GLU 118 12.627 -8.717 1.711 940 1HG GLU 118 1HG GLU 118 13.700 -9.090 -0.604 941 2HG GLU 118 2HG GLU 118 15.167 -9.485 0.250 942 H MET 119 H MET 119 15.343 -5.517 2.050 943 HA MET 119 HA MET 119 17.262 -5.504 -0.235 944 1HB MET 119 1HB MET 119 16.394 -3.547 1.865 945 2HB MET 119 2HB MET 119 17.979 -3.363 1.118 946 1HG MET 119 1HG MET 119 16.958 -3.364 -1.147 947 2HG MET 119 2HG MET 119 15.352 -3.473 -0.420 948 1HE MET 119 1HE MET 119 17.759 0.259 -0.952 949 2HE MET 119 2HE MET 119 17.691 -1.255 -1.957 950 3HE MET 119 3HE MET 119 18.631 -1.237 -0.461 951 H ARG 120 H ARG 120 19.201 -6.401 0.014 952 HA ARG 120 HA ARG 120 20.168 -6.811 2.860 953 1HB ARG 120 1HB ARG 120 19.641 -8.846 0.879 954 2HB ARG 120 2HB ARG 120 21.343 -8.775 1.178 955 1HG ARG 120 1HG ARG 120 20.251 -8.661 3.786 956 2HG ARG 120 2HG ARG 120 19.143 -9.690 2.899 957 1HD ARG 120 1HD ARG 120 21.114 -10.982 2.002 958 2HD ARG 120 2HD ARG 120 22.164 -10.176 3.173 959 HE ARG 120 HE ARG 120 21.270 -11.500 4.833 960 1HH1 ARG 120 1HH1 ARG 120 19.193 -11.770 1.961 961 2HH1 ARG 120 2HH1 ARG 120 18.287 -13.108 2.652 962 1HH2 ARG 120 1HH2 ARG 120 20.053 -13.241 5.670 963 2HH2 ARG 120 2HH2 ARG 120 18.778 -13.922 4.740 964 H ALA 121 H ALA 121 22.238 -6.401 3.267 965 HA ALA 121 HA ALA 121 24.261 -5.976 1.173 966 1HB ALA 121 1HB ALA 121 22.646 -3.753 1.964 967 2HB ALA 121 2HB ALA 121 24.160 -3.764 0.972 968 3HB ALA 121 3HB ALA 121 24.247 -3.561 2.762 969 H GLU 122 H GLU 122 26.087 -6.618 1.937 970 HA GLU 122 HA GLU 122 27.592 -7.612 3.314 971 1HB GLU 122 1HB GLU 122 27.861 -5.170 3.136 972 2HB GLU 122 2HB GLU 122 27.328 -5.014 4.789 973 1HG GLU 122 1HG GLU 122 29.244 -7.179 4.596 974 2HG GLU 122 2HG GLU 122 29.955 -5.784 3.788 975 H GLY 123 H GLY 123 25.359 -8.911 4.267 976 1HA GLY 123 1HA GLY 123 24.759 -10.215 6.044 977 2HA GLY 123 2HA GLY 123 25.980 -9.409 7.012 978 H VAL 124 H VAL 124 23.781 -7.256 5.537 979 HA VAL 124 HA VAL 124 21.994 -7.201 7.971 980 HB VAL 124 HB VAL 124 23.211 -4.852 6.428 981 1HG1 VAL 124 1HG1 VAL 124 21.065 -3.984 6.585 982 2HG1 VAL 124 2HG1 VAL 124 21.779 -3.414 8.099 983 3HG1 VAL 124 3HG1 VAL 124 20.676 -4.827 8.060 984 1HG2 VAL 124 1HG2 VAL 124 24.115 -6.080 8.786 985 2HG2 VAL 124 2HG2 VAL 124 23.075 -4.769 9.405 986 3HG2 VAL 124 3HG2 VAL 124 24.445 -4.401 8.320 987 H THR 125 H THR 125 19.926 -7.281 7.574 988 HA THR 125 HA THR 125 19.072 -6.985 4.714 989 HB THR 125 HB THR 125 17.675 -8.732 6.648 990 HG1 THR 125 HG1 THR 125 19.297 -10.114 5.010 991 1HG2 THR 125 1HG2 THR 125 17.712 -8.067 3.731 992 2HG2 THR 125 2HG2 THR 125 16.331 -8.593 4.706 993 3HG2 THR 125 3HG2 THR 125 17.430 -9.806 4.086 994 H CYS 126 H CYS 126 18.103 -5.103 4.525 995 HA CYS 126 HA CYS 126 16.291 -4.048 6.644 996 1HB CYS 126 1HB CYS 126 17.562 -2.270 5.860 997 2HB CYS 126 2HB CYS 126 17.772 -2.951 4.211 998 HG CYS 126 HG CYS 126 16.512 -1.327 3.300 999 H LYS 127 H LYS 127 14.140 -3.756 6.253 1000 HA LYS 127 HA LYS 127 13.018 -4.604 3.639 1001 1HB LYS 127 1HB LYS 127 11.349 -5.893 5.560 1002 2HB LYS 127 2HB LYS 127 12.240 -6.602 4.223 1003 1HG LYS 127 1HG LYS 127 14.322 -6.507 5.811 1004 2HG LYS 127 2HG LYS 127 13.139 -6.323 7.087 1005 1HD LYS 127 1HD LYS 127 12.085 -8.393 6.666 1006 2HD LYS 127 2HD LYS 127 12.909 -8.626 5.078 1007 1HE LYS 127 1HE LYS 127 15.113 -8.717 6.373 1008 2HE LYS 127 2HE LYS 127 14.172 -8.632 7.858 1009 1HZ LYS 127 1HZ LYS 127 13.237 -10.706 6.115 1010 2HZ LYS 127 2HZ LYS 127 13.761 -10.839 7.725 1011 3HZ LYS 127 3HZ LYS 127 14.875 -10.854 6.440 1012 H GLN 128 H GLN 128 10.464 -4.654 3.854 1013 HA GLN 128 HA GLN 128 9.381 -2.636 5.589 1014 1HB GLN 128 1HB GLN 128 8.700 -1.228 3.447 1015 2HB GLN 128 2HB GLN 128 10.144 -0.861 4.407 1016 1HG GLN 128 1HG GLN 128 10.740 -2.837 2.255 1017 2HG GLN 128 2HG GLN 128 9.953 -1.443 1.575 1018 1HE2 GLN 128 1HE2 GLN 128 10.960 0.791 2.307 1019 2HE2 GLN 128 2HE2 GLN 128 12.675 0.779 2.484 1020 H VAL 129 H VAL 129 7.081 -2.629 5.416 1021 HA VAL 129 HA VAL 129 6.068 -4.651 3.395 1022 HB VAL 129 HB VAL 129 4.098 -4.121 5.386 1023 1HG1 VAL 129 1HG1 VAL 129 4.046 -6.462 5.551 1024 2HG1 VAL 129 2HG1 VAL 129 5.720 -6.679 4.956 1025 3HG1 VAL 129 3HG1 VAL 129 4.453 -6.135 3.868 1026 1HG2 VAL 129 1HG2 VAL 129 6.054 -3.534 6.933 1027 2HG2 VAL 129 2HG2 VAL 129 6.855 -5.070 6.527 1028 3HG2 VAL 129 3HG2 VAL 129 5.331 -5.091 7.412 1029 H PHE 130 H PHE 130 5.575 -3.314 1.706 1030 HA PHE 130 HA PHE 130 4.235 -0.709 2.082 1031 1HB PHE 130 1HB PHE 130 4.964 -2.473 -0.284 1032 2HB PHE 130 2HB PHE 130 3.622 -1.333 -0.458 1033 HD1 PHE 130 HD1 PHE 130 7.054 -1.823 -0.820 1034 HD2 PHE 130 HD2 PHE 130 4.299 1.179 0.424 1035 HE1 PHE 130 HE1 PHE 130 8.769 -0.145 -1.283 1036 HE2 PHE 130 HE2 PHE 130 6.043 2.913 -0.042 1037 HZ PHE 130 HZ PHE 130 8.315 2.235 -0.904 1038 H LYS 131 H LYS 131 2.081 -0.331 0.924 1039 HA LYS 131 HA LYS 131 0.284 -2.709 1.149 1040 1HB LYS 131 1HB LYS 131 0.621 -0.977 3.237 1041 2HB LYS 131 2HB LYS 131 -0.574 -0.064 2.384 1042 1HG LYS 131 1HG LYS 131 -0.885 -2.623 3.873 1043 2HG LYS 131 2HG LYS 131 -2.122 -1.355 3.453 1044 1HD LYS 131 1HD LYS 131 -1.750 -2.587 1.017 1045 2HD LYS 131 2HD LYS 131 -1.481 -3.908 2.187 1046 1HE LYS 131 1HE LYS 131 -3.810 -1.953 2.312 1047 2HE LYS 131 2HE LYS 131 -3.925 -3.454 1.384 1048 1HZ LYS 131 1HZ LYS 131 -3.053 -3.634 4.182 1049 2HZ LYS 131 2HZ LYS 131 -3.894 -4.753 3.197 1050 3HZ LYS 131 3HZ LYS 131 -4.683 -3.379 3.841 1051 H LYS 132 H LYS 132 0.947 -1.865 -1.242 1052 HA LYS 132 HA LYS 132 -1.626 -0.837 -2.198 1053 1HB LYS 132 1HB LYS 132 0.115 1.185 -1.456 1054 2HB LYS 132 2HB LYS 132 0.459 1.013 -3.164 1055 1HG LYS 132 1HG LYS 132 -2.287 1.252 -1.931 1056 2HG LYS 132 2HG LYS 132 -1.316 2.608 -2.644 1057 1HD LYS 132 1HD LYS 132 -1.393 1.475 -4.830 1058 2HD LYS 132 2HD LYS 132 -2.315 0.113 -4.134 1059 1HE LYS 132 1HE LYS 132 -3.417 2.334 -5.374 1060 2HE LYS 132 2HE LYS 132 -4.311 1.466 -4.104 1061 1HZ LYS 132 1HZ LYS 132 -4.200 3.844 -3.900 1062 2HZ LYS 132 2HZ LYS 132 -2.526 3.785 -3.682 1063 3HZ LYS 132 3HZ LYS 132 -3.547 3.076 -2.543 1064 H VAL 133 H VAL 133 -0.061 0.055 -4.743 1065 HA VAL 133 HA VAL 133 1.118 -0.954 -6.349 1066 HB VAL 133 HB VAL 133 1.948 -2.615 -4.446 1067 1HG1 VAL 133 1HG1 VAL 133 -0.153 -4.209 -4.958 1068 2HG1 VAL 133 2HG1 VAL 133 1.472 -4.895 -4.846 1069 3HG1 VAL 133 3HG1 VAL 133 0.740 -4.572 -6.447 1070 1HG2 VAL 133 1HG2 VAL 133 2.184 -2.767 -7.452 1071 2HG2 VAL 133 2HG2 VAL 133 3.267 -3.642 -6.309 1072 3HG2 VAL 133 3HG2 VAL 133 3.250 -1.873 -6.328 1073 H HIS 134 H HIS 134 -1.551 -0.369 -5.917 1074 HA HIS 134 HA HIS 134 -3.465 -2.189 -6.847 1075 1HB HIS 134 1HB HIS 134 -3.959 -0.275 -5.676 1076 2HB HIS 134 2HB HIS 134 -3.267 0.802 -6.890 1077 HD1 HIS 134 HD1 HIS 134 -4.629 1.154 -9.052 1078 HD2 HIS 134 HD2 HIS 134 -6.476 -1.305 -6.206 1079 HE1 HIS 134 HE1 HIS 134 -7.099 0.910 -9.794 1080 HE2 HIS 134 HE2 HIS 134 -8.201 -0.610 -8.022 Start of MODEL 20 1 1H PRO 1 1H PRO 1 3.755 -11.756 -19.403 2 2H PRO 1 2H PRO 1 3.872 -11.398 -21.037 3 HA PRO 1 HA PRO 1 4.631 -9.471 -20.106 4 1HB PRO 1 1HB PRO 1 2.318 -8.062 -19.821 5 2HB PRO 1 2HB PRO 1 2.958 -8.541 -21.439 6 1HG PRO 1 1HG PRO 1 0.744 -9.706 -19.780 7 2HG PRO 1 2HG PRO 1 0.875 -9.671 -21.525 8 1HD PRO 1 1HD PRO 1 1.460 -11.969 -19.952 9 2HD PRO 1 2HD PRO 1 2.004 -11.701 -21.646 10 H VAL 2 H VAL 2 5.111 -8.305 -18.365 11 HA VAL 2 HA VAL 2 3.746 -8.987 -15.742 12 HB VAL 2 HB VAL 2 6.551 -7.913 -16.034 13 1HG1 VAL 2 1HG1 VAL 2 5.257 -9.396 -13.731 14 2HG1 VAL 2 2HG1 VAL 2 5.127 -7.664 -13.916 15 3HG1 VAL 2 3HG1 VAL 2 6.736 -8.396 -13.657 16 1HG2 VAL 2 1HG2 VAL 2 5.569 -10.746 -16.334 17 2HG2 VAL 2 2HG2 VAL 2 6.908 -10.564 -15.159 18 3HG2 VAL 2 3HG2 VAL 2 7.134 -10.013 -16.803 19 H ASP 3 H ASP 3 2.265 -7.284 -15.630 20 HA ASP 3 HA ASP 3 3.243 -4.513 -16.178 21 1HB ASP 3 1HB ASP 3 0.504 -5.696 -15.636 22 2HB ASP 3 2HB ASP 3 0.849 -3.961 -15.888 23 H PHE 4 H PHE 4 4.404 -3.851 -14.564 24 HA PHE 4 HA PHE 4 3.640 -4.451 -11.746 25 1HB PHE 4 1HB PHE 4 6.051 -3.433 -13.036 26 2HB PHE 4 2HB PHE 4 5.746 -2.914 -11.354 27 HD1 PHE 4 HD1 PHE 4 7.686 -4.179 -10.480 28 HD2 PHE 4 HD2 PHE 4 4.452 -6.190 -12.515 29 HE1 PHE 4 HE1 PHE 4 8.444 -6.336 -9.629 30 HE2 PHE 4 HE2 PHE 4 5.214 -8.304 -11.648 31 HZ PHE 4 HZ PHE 4 7.222 -8.439 -10.190 32 H ASN 5 H ASN 5 3.171 -1.816 -13.888 33 HA ASN 5 HA ASN 5 3.256 0.566 -12.509 34 1HB ASN 5 1HB ASN 5 0.604 0.325 -13.594 35 2HB ASN 5 2HB ASN 5 1.954 1.464 -13.927 36 1HD2 ASN 5 1HD2 ASN 5 0.460 -1.642 -14.844 37 2HD2 ASN 5 2HD2 ASN 5 1.327 -1.770 -16.333 38 H GLY 6 H GLY 6 1.984 1.668 -10.901 39 1HA GLY 6 1HA GLY 6 -0.508 0.661 -9.908 40 2HA GLY 6 2HA GLY 6 0.701 -0.008 -8.892 41 H TYR 7 H TYR 7 0.408 1.004 -7.027 42 HA TYR 7 HA TYR 7 0.810 3.923 -6.765 43 1HB TYR 7 1HB TYR 7 -1.667 2.383 -5.828 44 2HB TYR 7 2HB TYR 7 -1.120 3.837 -5.005 45 HD1 TYR 7 HD1 TYR 7 -2.271 2.546 -8.434 46 HD2 TYR 7 HD2 TYR 7 -1.504 5.974 -5.932 47 HE1 TYR 7 HE1 TYR 7 -3.314 3.964 -10.063 48 HE2 TYR 7 HE2 TYR 7 -2.580 7.442 -7.626 49 HH TYR 7 HH TYR 7 -4.554 6.432 -9.779 50 H TRP 8 H TRP 8 0.647 4.176 -4.025 51 HA TRP 8 HA TRP 8 1.967 1.830 -2.808 52 1HB TRP 8 1HB TRP 8 3.873 3.459 -2.207 53 2HB TRP 8 2HB TRP 8 3.814 2.827 -3.848 54 HD1 TRP 8 HD1 TRP 8 3.733 4.761 -5.770 55 HE1 TRP 8 HE1 TRP 8 3.281 7.274 -5.914 56 HE3 TRP 8 HE3 TRP 8 2.343 5.645 -0.836 57 HZ2 TRP 8 HZ2 TRP 8 2.481 9.310 -4.298 58 HZ3 TRP 8 HZ3 TRP 8 1.766 7.903 -0.241 59 HH2 TRP 8 HH2 TRP 8 1.812 9.763 -1.961 60 H LYS 9 H LYS 9 2.961 2.596 -0.697 61 HA LYS 9 HA LYS 9 2.628 4.667 0.854 62 1HB LYS 9 1HB LYS 9 0.577 4.234 2.255 63 2HB LYS 9 2HB LYS 9 0.302 4.976 0.661 64 1HG LYS 9 1HG LYS 9 -0.202 2.495 -0.119 65 2HG LYS 9 2HG LYS 9 -0.513 2.194 1.614 66 1HD LYS 9 1HD LYS 9 -1.861 4.292 -0.171 67 2HD LYS 9 2HD LYS 9 -2.565 2.786 0.383 68 1HE LYS 9 1HE LYS 9 -2.177 3.652 2.796 69 2HE LYS 9 2HE LYS 9 -1.748 5.226 2.111 70 1HZ LYS 9 1HZ LYS 9 -4.390 3.918 2.159 71 2HZ LYS 9 2HZ LYS 9 -4.027 4.922 0.867 72 3HZ LYS 9 3HZ LYS 9 -3.937 5.508 2.452 73 H MET 10 H MET 10 4.333 3.834 1.807 74 HA MET 10 HA MET 10 4.758 1.096 2.518 75 1HB MET 10 1HB MET 10 6.523 1.645 3.802 76 2HB MET 10 2HB MET 10 6.545 2.669 2.334 77 1HG MET 10 1HG MET 10 6.976 4.327 3.891 78 2HG MET 10 2HG MET 10 5.259 4.367 4.053 79 1HE MET 10 1HE MET 10 8.498 2.815 5.139 80 2HE MET 10 2HE MET 10 7.628 1.352 5.614 81 3HE MET 10 3HE MET 10 8.304 2.398 6.885 82 H LEU 11 H LEU 11 4.290 -0.102 4.347 83 HA LEU 11 HA LEU 11 2.467 1.059 6.366 84 1HB LEU 11 1HB LEU 11 2.195 -1.158 4.964 85 2HB LEU 11 2HB LEU 11 3.244 -1.876 6.035 86 HG LEU 11 HG LEU 11 0.519 -0.709 6.547 87 1HD1 LEU 11 1HD1 LEU 11 1.547 -3.256 5.925 88 2HD1 LEU 11 2HD1 LEU 11 -0.127 -2.889 6.443 89 3HD1 LEU 11 3HD1 LEU 11 1.085 -3.418 7.623 90 1HD2 LEU 11 1HD2 LEU 11 1.190 -1.706 9.059 91 2HD2 LEU 11 2HD2 LEU 11 1.623 -0.012 8.661 92 3HD2 LEU 11 3HD2 LEU 11 2.819 -1.281 8.500 93 H SER 12 H SER 12 5.519 -0.545 5.821 94 HA SER 12 HA SER 12 6.573 0.494 8.383 95 1HB SER 12 1HB SER 12 5.301 -1.665 8.820 96 2HB SER 12 2HB SER 12 6.843 -2.403 8.268 97 HG SER 12 HG SER 12 7.892 -1.147 9.785 98 H ASN 13 H ASN 13 8.698 0.793 8.358 99 HA ASN 13 HA ASN 13 10.460 -0.733 6.533 100 1HB ASN 13 1HB ASN 13 9.962 1.392 5.470 101 2HB ASN 13 2HB ASN 13 10.311 2.277 6.965 102 1HD2 ASN 13 1HD2 ASN 13 11.813 3.536 5.698 103 2HD2 ASN 13 2HD2 ASN 13 13.424 2.982 5.345 104 H GLU 14 H GLU 14 12.688 -0.865 7.406 105 HA GLU 14 HA GLU 14 13.363 0.365 9.965 106 1HB GLU 14 1HB GLU 14 13.383 -1.800 11.234 107 2HB GLU 14 2HB GLU 14 11.867 -0.927 11.012 108 1HG GLU 14 1HG GLU 14 11.372 -2.456 9.018 109 2HG GLU 14 2HG GLU 14 12.712 -3.493 9.554 110 H ASN 15 H ASN 15 15.250 -0.691 10.909 111 HA ASN 15 HA ASN 15 17.389 -1.484 10.964 112 1HB ASN 15 1HB ASN 15 16.422 -3.167 8.706 113 2HB ASN 15 2HB ASN 15 18.061 -3.324 9.435 114 1HD2 ASN 15 1HD2 ASN 15 17.411 -5.470 9.984 115 2HD2 ASN 15 2HD2 ASN 15 16.368 -5.796 11.366 116 H PHE 16 H PHE 16 16.485 0.738 9.134 117 HA PHE 16 HA PHE 16 18.213 0.908 6.843 118 1HB PHE 16 1HB PHE 16 17.749 3.541 7.342 119 2HB PHE 16 2HB PHE 16 16.658 2.447 6.482 120 HD1 PHE 16 HD1 PHE 16 17.225 3.266 10.267 121 HD2 PHE 16 HD2 PHE 16 14.536 2.821 6.952 122 HE1 PHE 16 HE1 PHE 16 15.319 3.810 11.692 123 HE2 PHE 16 HE2 PHE 16 12.640 3.367 8.400 124 HZ PHE 16 HZ PHE 16 13.025 3.865 10.792 125 H GLU 17 H GLU 17 18.608 1.751 10.231 126 HA GLU 17 HA GLU 17 20.885 3.482 10.023 127 1HB GLU 17 1HB GLU 17 19.470 3.513 11.875 128 2HB GLU 17 2HB GLU 17 19.794 1.791 12.238 129 1HG GLU 17 1HG GLU 17 22.308 2.551 12.434 130 2HG GLU 17 2HG GLU 17 21.645 4.196 12.519 131 H GLU 18 H GLU 18 20.392 0.003 10.672 132 HA GLU 18 HA GLU 18 23.234 -0.617 11.038 133 1HB GLU 18 1HB GLU 18 20.738 -2.259 10.668 134 2HB GLU 18 2HB GLU 18 22.383 -2.967 10.562 135 1HG GLU 18 1HG GLU 18 22.500 -3.004 12.852 136 2HG GLU 18 2HG GLU 18 22.078 -1.299 12.948 137 H TYR 19 H TYR 19 20.917 -0.290 8.402 138 HA TYR 19 HA TYR 19 22.429 -1.885 6.543 139 1HB TYR 19 1HB TYR 19 20.185 -1.777 6.075 140 2HB TYR 19 2HB TYR 19 20.022 -0.073 6.431 141 HD1 TYR 19 HD1 TYR 19 20.318 1.640 4.723 142 HD2 TYR 19 HD2 TYR 19 21.228 -2.405 3.784 143 HE1 TYR 19 HE1 TYR 19 20.464 2.213 2.318 144 HE2 TYR 19 HE2 TYR 19 21.370 -1.827 1.347 145 HH TYR 19 HH TYR 19 20.174 0.935 0.069 146 H LEU 20 H LEU 20 22.110 1.641 7.181 147 HA LEU 20 HA LEU 20 23.816 2.474 4.999 148 1HB LEU 20 1HB LEU 20 23.113 3.949 7.525 149 2HB LEU 20 2HB LEU 20 24.019 4.606 6.210 150 HG LEU 20 HG LEU 20 21.204 3.509 5.906 151 1HD1 LEU 20 1HD1 LEU 20 21.582 5.413 7.639 152 2HD1 LEU 20 2HD1 LEU 20 20.279 5.654 6.443 153 3HD1 LEU 20 3HD1 LEU 20 21.810 6.520 6.262 154 1HD2 LEU 20 1HD2 LEU 20 22.664 3.975 3.795 155 2HD2 LEU 20 2HD2 LEU 20 22.713 5.687 4.222 156 3HD2 LEU 20 3HD2 LEU 20 21.158 4.930 3.839 157 H ARG 21 H ARG 21 24.359 1.336 8.196 158 HA ARG 21 HA ARG 21 27.065 2.481 8.631 159 1HB ARG 21 1HB ARG 21 26.091 1.983 10.629 160 2HB ARG 21 2HB ARG 21 25.095 0.720 9.929 161 1HG ARG 21 1HG ARG 21 27.255 -0.732 9.819 162 2HG ARG 21 2HG ARG 21 28.074 0.522 10.766 163 1HD ARG 21 1HD ARG 21 25.597 -1.111 11.540 164 2HD ARG 21 2HD ARG 21 27.172 -1.293 12.218 165 HE ARG 21 HE ARG 21 25.284 0.931 12.694 166 1HH1 ARG 21 1HH1 ARG 21 28.477 -0.334 13.219 167 2HH1 ARG 21 2HH1 ARG 21 28.882 0.689 14.536 168 1HH2 ARG 21 1HH2 ARG 21 25.750 2.417 14.571 169 2HH2 ARG 21 2HH2 ARG 21 27.298 2.217 15.281 170 H ALA 22 H ALA 22 25.690 -0.270 6.980 171 HA ALA 22 HA ALA 22 28.090 -1.901 6.877 172 1HB ALA 22 1HB ALA 22 25.561 -2.590 6.582 173 2HB ALA 22 2HB ALA 22 26.759 -3.372 5.553 174 3HB ALA 22 3HB ALA 22 25.818 -2.002 4.901 175 H LEU 23 H LEU 23 26.756 0.759 4.849 176 HA LEU 23 HA LEU 23 28.935 0.313 2.841 177 1HB LEU 23 1HB LEU 23 26.383 1.937 2.885 178 2HB LEU 23 2HB LEU 23 27.582 2.232 1.721 179 HG LEU 23 HG LEU 23 26.283 -0.480 2.209 180 1HD1 LEU 23 1HD1 LEU 23 25.663 0.699 -0.374 181 2HD1 LEU 23 2HD1 LEU 23 25.317 1.875 0.902 182 3HD1 LEU 23 3HD1 LEU 23 24.515 0.293 0.915 183 1HD2 LEU 23 1HD2 LEU 23 27.348 -0.450 -0.390 184 2HD2 LEU 23 2HD2 LEU 23 28.215 -1.129 0.981 185 3HD2 LEU 23 3HD2 LEU 23 28.551 0.529 0.515 186 H ASP 24 H ASP 24 28.269 2.028 5.693 187 HA ASP 24 HA ASP 24 29.193 3.904 6.665 188 1HB ASP 24 1HB ASP 24 31.650 3.445 5.018 189 2HB ASP 24 2HB ASP 24 31.517 4.106 6.644 190 H VAL 25 H VAL 25 27.500 4.923 5.187 191 HA VAL 25 HA VAL 25 28.690 6.764 3.196 192 HB VAL 25 HB VAL 25 26.375 7.394 2.594 193 1HG1 VAL 25 1HG1 VAL 25 26.075 4.398 2.827 194 2HG1 VAL 25 2HG1 VAL 25 27.534 4.991 2.072 195 3HG1 VAL 25 3HG1 VAL 25 25.989 5.439 1.360 196 1HG2 VAL 25 1HG2 VAL 25 24.677 5.640 3.915 197 2HG2 VAL 25 2HG2 VAL 25 24.961 7.323 4.452 198 3HG2 VAL 25 3HG2 VAL 25 25.799 5.979 5.225 199 H ASN 26 H ASN 26 29.527 7.061 5.968 200 HA ASN 26 HA ASN 26 29.821 8.686 7.489 201 1HB ASN 26 1HB ASN 26 28.197 10.588 5.918 202 2HB ASN 26 2HB ASN 26 29.494 10.891 7.072 203 1HD2 ASN 26 1HD2 ASN 26 29.475 11.874 4.390 204 2HD2 ASN 26 2HD2 ASN 26 30.792 11.110 3.541 205 H VAL 27 H VAL 27 28.940 9.743 9.257 206 HA VAL 27 HA VAL 27 26.493 8.548 10.253 207 HB VAL 27 HB VAL 27 26.845 9.941 12.248 208 1HG1 VAL 27 1HG1 VAL 27 29.470 8.549 11.997 209 2HG1 VAL 27 2HG1 VAL 27 28.096 7.577 11.377 210 3HG1 VAL 27 3HG1 VAL 27 28.096 8.156 13.021 211 1HG2 VAL 27 1HG2 VAL 27 28.311 11.722 12.161 212 2HG2 VAL 27 2HG2 VAL 27 28.779 11.307 10.482 213 3HG2 VAL 27 3HG2 VAL 27 29.651 10.648 11.859 214 H ALA 28 H ALA 28 27.147 11.541 8.615 215 HA ALA 28 HA ALA 28 24.904 13.050 9.677 216 1HB ALA 28 1HB ALA 28 27.003 13.504 7.867 217 2HB ALA 28 2HB ALA 28 25.919 14.678 8.666 218 3HB ALA 28 3HB ALA 28 25.423 13.953 7.124 219 H LEU 29 H LEU 29 25.326 10.627 7.059 220 HA LEU 29 HA LEU 29 22.869 11.333 5.654 221 1HB LEU 29 1HB LEU 29 25.075 9.890 5.060 222 2HB LEU 29 2HB LEU 29 23.938 8.641 5.452 223 HG LEU 29 HG LEU 29 22.409 10.284 3.757 224 1HD1 LEU 29 1HD1 LEU 29 23.764 11.542 2.411 225 2HD1 LEU 29 2HD1 LEU 29 24.745 10.107 1.996 226 3HD1 LEU 29 3HD1 LEU 29 25.142 11.053 3.413 227 1HD2 LEU 29 1HD2 LEU 29 23.162 7.615 3.748 228 2HD2 LEU 29 2HD2 LEU 29 24.098 8.225 2.376 229 3HD2 LEU 29 3HD2 LEU 29 22.325 8.405 2.419 230 H ARG 30 H ARG 30 23.765 9.118 8.250 231 HA ARG 30 HA ARG 30 21.362 7.476 8.240 232 1HB ARG 30 1HB ARG 30 23.484 6.718 9.004 233 2HB ARG 30 2HB ARG 30 23.624 8.010 10.210 234 1HG ARG 30 1HG ARG 30 21.140 6.681 10.775 235 2HG ARG 30 2HG ARG 30 22.267 5.395 10.323 236 1HD ARG 30 1HD ARG 30 23.213 5.413 12.299 237 2HD ARG 30 2HD ARG 30 23.757 7.053 12.033 238 HE ARG 30 HE ARG 30 21.385 6.296 13.634 239 1HH1 ARG 30 1HH1 ARG 30 23.323 9.019 12.334 240 2HH1 ARG 30 2HH1 ARG 30 22.592 10.107 13.447 241 1HH2 ARG 30 1HH2 ARG 30 20.523 7.772 15.024 242 2HH2 ARG 30 2HH2 ARG 30 21.050 9.408 14.952 243 H LYS 31 H LYS 31 22.256 10.573 9.498 244 HA LYS 31 HA LYS 31 20.216 10.726 11.579 245 1HB LYS 31 1HB LYS 31 22.374 12.057 11.451 246 2HB LYS 31 2HB LYS 31 21.587 13.021 10.149 247 1HG LYS 31 1HG LYS 31 20.046 13.998 11.622 248 2HG LYS 31 2HG LYS 31 20.136 12.674 12.798 249 1HD LYS 31 1HD LYS 31 22.777 13.986 12.424 250 2HD LYS 31 2HD LYS 31 21.508 15.141 12.844 251 1HE LYS 31 1HE LYS 31 21.658 14.512 14.994 252 2HE LYS 31 2HE LYS 31 21.082 12.892 14.526 253 1HZ LYS 31 1HZ LYS 31 23.717 13.820 15.250 254 2HZ LYS 31 2HZ LYS 31 23.768 12.902 13.853 255 3HZ LYS 31 3HZ LYS 31 23.079 12.231 15.234 256 H ILE 32 H ILE 32 20.767 11.770 8.265 257 HA ILE 32 HA ILE 32 18.348 13.293 7.826 258 HB ILE 32 HB ILE 32 20.742 12.496 6.337 259 1HG1 ILE 32 1HG1 ILE 32 20.121 14.794 5.299 260 2HG1 ILE 32 2HG1 ILE 32 18.728 14.790 6.339 261 1HG2 ILE 32 1HG2 ILE 32 19.613 12.813 4.089 262 2HG2 ILE 32 2HG2 ILE 32 18.020 12.569 4.869 263 3HG2 ILE 32 3HG2 ILE 32 19.175 11.258 4.883 264 1HD1 ILE 32 1HD1 ILE 32 21.482 14.359 7.507 265 2HD1 ILE 32 2HD1 ILE 32 20.035 14.852 8.377 266 3HD1 ILE 32 3HD1 ILE 32 20.823 16.002 7.260 267 H ALA 33 H ALA 33 19.472 10.002 7.343 268 HA ALA 33 HA ALA 33 17.235 9.075 5.780 269 1HB ALA 33 1HB ALA 33 19.202 8.079 5.259 270 2HB ALA 33 2HB ALA 33 18.421 6.832 6.315 271 3HB ALA 33 3HB ALA 33 19.723 7.855 6.955 272 H ASN 34 H ASN 34 18.085 9.025 9.306 273 HA ASN 34 HA ASN 34 16.371 6.961 10.142 274 1HB ASN 34 1HB ASN 34 17.551 7.360 11.842 275 2HB ASN 34 2HB ASN 34 17.996 9.012 11.316 276 1HD2 ASN 34 1HD2 ASN 34 15.946 7.099 13.511 277 2HD2 ASN 34 2HD2 ASN 34 15.118 8.412 14.246 278 H LEU 35 H LEU 35 15.543 10.293 9.296 279 HA LEU 35 HA LEU 35 12.703 9.849 10.176 280 1HB LEU 35 1HB LEU 35 12.441 12.158 10.192 281 2HB LEU 35 2HB LEU 35 13.673 11.646 11.353 282 HG LEU 35 HG LEU 35 14.742 12.396 8.708 283 1HD1 LEU 35 1HD1 LEU 35 14.326 14.937 9.337 284 2HD1 LEU 35 2HD1 LEU 35 12.911 14.300 10.200 285 3HD1 LEU 35 3HD1 LEU 35 13.033 14.037 8.465 286 1HD2 LEU 35 1HD2 LEU 35 15.319 13.963 11.303 287 2HD2 LEU 35 2HD2 LEU 35 16.442 13.499 10.040 288 3HD2 LEU 35 3HD2 LEU 35 15.821 12.270 11.191 289 H LEU 36 H LEU 36 13.720 8.606 7.849 290 HA LEU 36 HA LEU 36 12.462 10.222 5.645 291 1HB LEU 36 1HB LEU 36 14.983 9.150 5.772 292 2HB LEU 36 2HB LEU 36 14.156 7.871 5.037 293 HG LEU 36 HG LEU 36 14.344 10.691 3.946 294 1HD1 LEU 36 1HD1 LEU 36 16.144 8.429 3.779 295 2HD1 LEU 36 2HD1 LEU 36 16.337 9.974 2.962 296 3HD1 LEU 36 3HD1 LEU 36 15.480 8.692 2.136 297 1HD2 LEU 36 1HD2 LEU 36 13.111 8.207 2.639 298 2HD2 LEU 36 2HD2 LEU 36 13.095 9.850 1.947 299 3HD2 LEU 36 3HD2 LEU 36 12.195 9.541 3.410 300 H LYS 37 H LYS 37 10.691 9.369 4.700 301 HA LYS 37 HA LYS 37 10.103 6.442 4.869 302 1HB LYS 37 1HB LYS 37 8.198 8.685 5.712 303 2HB LYS 37 2HB LYS 37 7.696 7.038 5.411 304 1HG LYS 37 1HG LYS 37 9.904 7.473 7.478 305 2HG LYS 37 2HG LYS 37 8.233 8.008 7.866 306 1HD LYS 37 1HD LYS 37 8.311 5.293 6.716 307 2HD LYS 37 2HD LYS 37 9.293 5.446 8.138 308 1HE LYS 37 1HE LYS 37 6.661 6.858 8.436 309 2HE LYS 37 2HE LYS 37 6.452 5.097 8.178 310 1HZ LYS 37 1HZ LYS 37 7.722 6.518 10.386 311 2HZ LYS 37 2HZ LYS 37 8.338 4.992 9.971 312 3HZ LYS 37 3HZ LYS 37 6.729 5.131 10.416 313 HA PRO 38 HA PRO 38 9.049 8.104 0.760 314 1HB PRO 38 1HB PRO 38 10.436 6.112 -0.546 315 2HB PRO 38 2HB PRO 38 11.070 7.694 -0.030 316 1HG PRO 38 1HG PRO 38 11.871 5.126 0.851 317 2HG PRO 38 2HG PRO 38 12.320 6.694 1.632 318 1HD PRO 38 1HD PRO 38 10.114 4.817 2.436 319 2HD PRO 38 2HD PRO 38 11.202 5.783 3.439 320 H ASP 39 H ASP 39 8.133 7.249 -1.149 321 HA ASP 39 HA ASP 39 6.460 4.764 -0.662 322 1HB ASP 39 1HB ASP 39 5.177 6.487 -2.595 323 2HB ASP 39 2HB ASP 39 4.626 5.908 -0.977 324 H LYS 40 H LYS 40 5.520 4.365 -3.161 325 HA LYS 40 HA LYS 40 7.784 4.782 -5.001 326 1HB LYS 40 1HB LYS 40 7.393 2.194 -3.581 327 2HB LYS 40 2HB LYS 40 7.533 2.055 -5.331 328 1HG LYS 40 1HG LYS 40 9.595 3.530 -5.269 329 2HG LYS 40 2HG LYS 40 9.532 3.454 -3.509 330 1HD LYS 40 1HD LYS 40 9.247 0.767 -4.155 331 2HD LYS 40 2HD LYS 40 10.229 1.319 -5.502 332 1HE LYS 40 1HE LYS 40 11.424 2.496 -3.154 333 2HE LYS 40 2HE LYS 40 11.110 0.812 -2.726 334 1HZ LYS 40 1HZ LYS 40 12.894 1.935 -4.718 335 2HZ LYS 40 2HZ LYS 40 12.195 0.479 -5.134 336 3HZ LYS 40 3HZ LYS 40 13.078 0.611 -3.688 337 H GLU 41 H GLU 41 6.642 5.536 -6.634 338 HA GLU 41 HA GLU 41 4.178 4.051 -7.493 339 1HB GLU 41 1HB GLU 41 4.430 6.691 -7.295 340 2HB GLU 41 2HB GLU 41 5.281 6.538 -8.877 341 1HG GLU 41 1HG GLU 41 3.347 5.718 -9.951 342 2HG GLU 41 2HG GLU 41 2.515 5.326 -8.449 343 H ILE 42 H ILE 42 4.833 2.321 -8.736 344 HA ILE 42 HA ILE 42 7.378 2.420 -10.286 345 HB ILE 42 HB ILE 42 5.284 0.305 -9.877 346 1HG1 ILE 42 1HG1 ILE 42 8.164 0.550 -8.827 347 2HG1 ILE 42 2HG1 ILE 42 6.780 1.134 -7.965 348 1HG2 ILE 42 1HG2 ILE 42 6.256 -0.376 -11.983 349 2HG2 ILE 42 2HG2 ILE 42 7.467 -1.028 -10.878 350 3HG2 ILE 42 3HG2 ILE 42 7.729 0.550 -11.646 351 1HD1 ILE 42 1HD1 ILE 42 7.391 -1.798 -8.732 352 2HD1 ILE 42 2HD1 ILE 42 5.818 -1.332 -8.047 353 3HD1 ILE 42 3HD1 ILE 42 7.280 -1.112 -7.105 354 H VAL 43 H VAL 43 7.444 2.570 -12.560 355 HA VAL 43 HA VAL 43 4.827 2.495 -13.974 356 HB VAL 43 HB VAL 43 6.653 4.282 -15.315 357 1HG1 VAL 43 1HG1 VAL 43 3.984 5.097 -14.060 358 2HG1 VAL 43 2HG1 VAL 43 3.961 3.914 -15.392 359 3HG1 VAL 43 3HG1 VAL 43 4.632 5.540 -15.643 360 1HG2 VAL 43 1HG2 VAL 43 6.480 6.175 -13.610 361 2HG2 VAL 43 2HG2 VAL 43 7.433 4.847 -12.944 362 3HG2 VAL 43 3HG2 VAL 43 5.707 5.069 -12.490 363 H GLN 44 H GLN 44 5.147 2.033 -16.297 364 HA GLN 44 HA GLN 44 7.780 0.634 -16.896 365 1HB GLN 44 1HB GLN 44 6.546 -1.211 -16.421 366 2HB GLN 44 2HB GLN 44 5.014 -0.388 -16.659 367 1HG GLN 44 1HG GLN 44 6.724 -0.942 -19.081 368 2HG GLN 44 2HG GLN 44 5.941 -2.311 -18.245 369 1HE2 GLN 44 1HE2 GLN 44 5.553 0.347 -20.469 370 2HE2 GLN 44 2HE2 GLN 44 3.822 0.150 -20.733 371 H ASP 45 H ASP 45 8.592 0.943 -18.790 372 HA ASP 45 HA ASP 45 7.058 2.221 -20.979 373 1HB ASP 45 1HB ASP 45 8.797 3.610 -19.303 374 2HB ASP 45 2HB ASP 45 9.974 2.921 -20.459 375 H GLY 46 H GLY 46 9.816 2.323 -22.348 376 1HA GLY 46 1HA GLY 46 9.745 0.090 -24.004 377 2HA GLY 46 2HA GLY 46 11.282 0.940 -23.493 378 H ASP 47 H ASP 47 10.345 -2.181 -23.724 379 HA ASP 47 HA ASP 47 10.750 -4.025 -22.359 380 1HB ASP 47 1HB ASP 47 12.787 -2.118 -21.282 381 2HB ASP 47 2HB ASP 47 12.536 -3.696 -20.469 382 H HIS 48 H HIS 48 11.349 -2.478 -19.349 383 HA HIS 48 HA HIS 48 9.029 -1.205 -18.719 384 1HB HIS 48 1HB HIS 48 7.660 -3.027 -17.596 385 2HB HIS 48 2HB HIS 48 7.427 -2.823 -19.305 386 HD1 HIS 48 HD1 HIS 48 6.525 -5.489 -18.766 387 HD2 HIS 48 HD2 HIS 48 10.603 -4.765 -19.074 388 HE1 HIS 48 HE1 HIS 48 7.612 -7.764 -19.257 389 HE2 HIS 48 HE2 HIS 48 10.107 -7.275 -19.440 390 H MET 49 H MET 49 10.560 -0.378 -17.364 391 HA MET 49 HA MET 49 10.218 -1.202 -14.655 392 1HB MET 49 1HB MET 49 11.953 -2.838 -15.413 393 2HB MET 49 2HB MET 49 13.035 -1.436 -15.523 394 1HG MET 49 1HG MET 49 12.522 -0.802 -13.165 395 2HG MET 49 2HG MET 49 11.399 -2.143 -13.045 396 1HE MET 49 1HE MET 49 13.459 -5.345 -13.056 397 2HE MET 49 2HE MET 49 13.338 -4.568 -14.674 398 3HE MET 49 3HE MET 49 11.952 -4.495 -13.581 399 H ILE 50 H ILE 50 9.469 1.072 -14.605 400 HA ILE 50 HA ILE 50 11.824 2.951 -14.496 401 HB ILE 50 HB ILE 50 8.894 3.514 -15.088 402 1HG1 ILE 50 1HG1 ILE 50 9.790 4.604 -17.126 403 2HG1 ILE 50 2HG1 ILE 50 11.437 4.310 -16.600 404 1HG2 ILE 50 1HG2 ILE 50 9.550 5.319 -13.573 405 2HG2 ILE 50 2HG2 ILE 50 10.091 5.992 -15.095 406 3HG2 ILE 50 3HG2 ILE 50 11.261 5.186 -14.012 407 1HD1 ILE 50 1HD1 ILE 50 11.311 1.965 -17.020 408 2HD1 ILE 50 2HD1 ILE 50 10.477 2.710 -18.405 409 3HD1 ILE 50 3HD1 ILE 50 9.558 1.931 -17.113 410 H ILE 51 H ILE 51 12.271 2.888 -12.332 411 HA ILE 51 HA ILE 51 9.987 2.706 -10.374 412 HB ILE 51 HB ILE 51 12.934 1.991 -10.162 413 1HG1 ILE 51 1HG1 ILE 51 12.352 -0.162 -10.131 414 2HG1 ILE 51 2HG1 ILE 51 10.874 0.071 -9.251 415 1HG2 ILE 51 1HG2 ILE 51 11.937 3.225 -8.033 416 2HG2 ILE 51 2HG2 ILE 51 12.677 1.609 -7.812 417 3HG2 ILE 51 3HG2 ILE 51 10.941 1.772 -7.815 418 1HD1 ILE 51 1HD1 ILE 51 11.273 0.433 -12.237 419 2HD1 ILE 51 2HD1 ILE 51 9.774 0.938 -11.402 420 3HD1 ILE 51 3HD1 ILE 51 10.252 -0.772 -11.407 421 H ARG 52 H ARG 52 9.345 4.650 -9.915 422 HA ARG 52 HA ARG 52 11.233 6.947 -9.554 423 1HB ARG 52 1HB ARG 52 9.322 7.178 -11.109 424 2HB ARG 52 2HB ARG 52 8.205 6.704 -9.853 425 1HG ARG 52 1HG ARG 52 8.371 8.762 -8.725 426 2HG ARG 52 2HG ARG 52 10.027 9.043 -9.212 427 1HD ARG 52 1HD ARG 52 8.669 10.573 -10.447 428 2HD ARG 52 2HD ARG 52 9.276 9.376 -11.619 429 HE ARG 52 HE ARG 52 6.687 8.604 -10.534 430 1HH1 ARG 52 1HH1 ARG 52 8.300 10.757 -12.866 431 2HH1 ARG 52 2HH1 ARG 52 6.875 10.864 -13.885 432 1HH2 ARG 52 1HH2 ARG 52 4.918 8.742 -11.843 433 2HH2 ARG 52 2HH2 ARG 52 4.958 9.702 -13.288 434 H THR 53 H THR 53 11.987 7.108 -7.606 435 HA THR 53 HA THR 53 10.310 6.553 -5.166 436 HB THR 53 HB THR 53 13.211 7.381 -5.382 437 HG1 THR 53 HG1 THR 53 12.246 5.272 -6.394 438 1HG2 THR 53 1HG2 THR 53 13.361 6.215 -3.074 439 2HG2 THR 53 2HG2 THR 53 11.701 5.662 -3.256 440 3HG2 THR 53 3HG2 THR 53 12.027 7.385 -3.059 441 H LEU 54 H LEU 54 9.283 8.312 -4.382 442 HA LEU 54 HA LEU 54 10.329 11.026 -5.089 443 1HB LEU 54 1HB LEU 54 7.916 11.663 -5.084 444 2HB LEU 54 2HB LEU 54 8.722 10.938 -6.465 445 HG LEU 54 HG LEU 54 7.838 8.685 -5.872 446 1HD1 LEU 54 1HD1 LEU 54 5.870 8.658 -4.220 447 2HD1 LEU 54 2HD1 LEU 54 6.207 10.388 -3.903 448 3HD1 LEU 54 3HD1 LEU 54 7.365 9.164 -3.424 449 1HD2 LEU 54 1HD2 LEU 54 5.785 9.068 -6.989 450 2HD2 LEU 54 2HD2 LEU 54 6.711 10.461 -7.512 451 3HD2 LEU 54 3HD2 LEU 54 5.501 10.668 -6.241 452 H SER 55 H SER 55 11.263 10.471 -2.784 453 HA SER 55 HA SER 55 9.717 10.888 -0.422 454 1HB SER 55 1HB SER 55 12.648 11.767 -0.745 455 2HB SER 55 2HB SER 55 11.832 11.062 0.661 456 HG SER 55 HG SER 55 13.067 9.491 -0.246 457 H THR 56 H THR 56 10.753 12.969 1.016 458 HA THR 56 HA THR 56 9.980 15.366 -0.678 459 HB THR 56 HB THR 56 9.543 16.513 1.438 460 HG1 THR 56 HG1 THR 56 9.827 15.601 3.356 461 1HG2 THR 56 1HG2 THR 56 7.543 15.245 2.128 462 2HG2 THR 56 2HG2 THR 56 8.166 13.742 1.419 463 3HG2 THR 56 3HG2 THR 56 7.715 15.072 0.347 464 H PHE 57 H PHE 57 12.658 13.878 1.112 465 HA PHE 57 HA PHE 57 14.085 16.410 1.495 466 1HB PHE 57 1HB PHE 57 14.323 13.761 2.364 467 2HB PHE 57 2HB PHE 57 15.621 13.899 1.137 468 HD1 PHE 57 HD1 PHE 57 14.495 14.889 4.483 469 HD2 PHE 57 HD2 PHE 57 17.489 15.614 1.537 470 HE1 PHE 57 HE1 PHE 57 15.910 16.076 6.216 471 HE2 PHE 57 HE2 PHE 57 18.898 16.741 3.182 472 HZ PHE 57 HZ PHE 57 18.071 16.972 5.543 473 H ARG 58 H ARG 58 14.513 13.623 -0.619 474 HA ARG 58 HA ARG 58 15.163 15.298 -2.916 475 1HB ARG 58 1HB ARG 58 17.304 14.224 -3.416 476 2HB ARG 58 2HB ARG 58 17.301 15.365 -2.117 477 1HG ARG 58 1HG ARG 58 17.839 13.657 -0.523 478 2HG ARG 58 2HG ARG 58 16.997 12.389 -1.419 479 1HD ARG 58 1HD ARG 58 18.735 11.856 -2.723 480 2HD ARG 58 2HD ARG 58 19.286 13.521 -2.932 481 HE ARG 58 HE ARG 58 20.286 11.708 -1.022 482 1HH1 ARG 58 1HH1 ARG 58 19.392 15.081 -1.302 483 2HH1 ARG 58 2HH1 ARG 58 20.506 15.627 -0.082 484 1HH2 ARG 58 1HH2 ARG 58 21.742 12.379 0.606 485 2HH2 ARG 58 2HH2 ARG 58 21.832 14.055 1.008 486 H ASN 59 H ASN 59 16.219 13.151 -4.545 487 HA ASN 59 HA ASN 59 14.403 10.808 -4.178 488 1HB ASN 59 1HB ASN 59 13.629 11.177 -6.648 489 2HB ASN 59 2HB ASN 59 12.860 12.123 -5.324 490 1HD2 ASN 59 1HD2 ASN 59 15.294 12.269 -7.940 491 2HD2 ASN 59 2HD2 ASN 59 15.256 13.991 -8.116 492 H TYR 60 H TYR 60 15.227 9.062 -4.923 493 HA TYR 60 HA TYR 60 17.507 9.257 -6.896 494 1HB TYR 60 1HB TYR 60 18.679 7.873 -5.614 495 2HB TYR 60 2HB TYR 60 17.387 8.051 -4.333 496 HD1 TYR 60 HD1 TYR 60 19.195 5.855 -6.435 497 HD2 TYR 60 HD2 TYR 60 15.349 6.251 -4.618 498 HE1 TYR 60 HE1 TYR 60 18.855 3.501 -6.682 499 HE2 TYR 60 HE2 TYR 60 14.973 3.812 -4.896 500 HH TYR 60 HH TYR 60 16.015 1.847 -5.404 501 H ILE 61 H ILE 61 17.034 8.491 -8.832 502 HA ILE 61 HA ILE 61 14.644 6.673 -9.148 503 HB ILE 61 HB ILE 61 15.215 9.092 -10.881 504 1HG1 ILE 61 1HG1 ILE 61 13.820 8.890 -8.324 505 2HG1 ILE 61 2HG1 ILE 61 14.395 10.258 -9.230 506 1HG2 ILE 61 1HG2 ILE 61 12.761 7.191 -10.840 507 2HG2 ILE 61 2HG2 ILE 61 13.991 7.300 -12.147 508 3HG2 ILE 61 3HG2 ILE 61 12.969 8.663 -11.777 509 1HD1 ILE 61 1HD1 ILE 61 11.768 8.891 -10.020 510 2HD1 ILE 61 2HD1 ILE 61 12.304 10.473 -10.537 511 3HD1 ILE 61 3HD1 ILE 61 11.880 10.235 -8.834 512 H MET 62 H MET 62 14.498 5.522 -11.046 513 HA MET 62 HA MET 62 16.931 5.310 -12.714 514 1HB MET 62 1HB MET 62 15.626 2.680 -12.165 515 2HB MET 62 2HB MET 62 17.338 3.059 -12.292 516 1HG MET 62 1HG MET 62 16.527 4.175 -9.767 517 2HG MET 62 2HG MET 62 15.802 2.520 -9.951 518 1HE MET 62 1HE MET 62 18.660 4.885 -10.137 519 2HE MET 62 2HE MET 62 19.752 3.902 -11.161 520 3HE MET 62 3HE MET 62 20.027 4.013 -9.386 521 H ASP 63 H ASP 63 16.455 4.260 -14.723 522 HA ASP 63 HA ASP 63 13.524 4.094 -15.291 523 1HB ASP 63 1HB ASP 63 14.889 5.071 -17.621 524 2HB ASP 63 2HB ASP 63 13.829 6.073 -16.573 525 H PHE 64 H PHE 64 14.333 1.988 -14.626 526 HA PHE 64 HA PHE 64 16.270 0.484 -16.156 527 1HB PHE 64 1HB PHE 64 14.280 0.058 -13.968 528 2HB PHE 64 2HB PHE 64 14.801 -1.393 -14.866 529 HD1 PHE 64 HD1 PHE 64 15.202 -0.227 -11.950 530 HD2 PHE 64 HD2 PHE 64 17.641 -0.648 -15.403 531 HE1 PHE 64 HE1 PHE 64 17.201 -0.363 -10.479 532 HE2 PHE 64 HE2 PHE 64 19.678 -0.790 -13.961 533 HZ PHE 64 HZ PHE 64 19.478 -0.645 -11.490 534 H GLN 65 H GLN 65 15.251 -1.845 -16.708 535 HA GLN 65 HA GLN 65 12.901 -2.035 -18.364 536 1HB GLN 65 1HB GLN 65 15.712 -1.666 -19.438 537 2HB GLN 65 2HB GLN 65 14.489 -2.536 -20.395 538 1HG GLN 65 1HG GLN 65 13.157 -0.214 -19.851 539 2HG GLN 65 2HG GLN 65 14.796 0.425 -19.723 540 1HE2 GLN 65 1HE2 GLN 65 12.526 0.837 -21.603 541 2HE2 GLN 65 2HE2 GLN 65 13.088 0.543 -23.190 542 H VAL 66 H VAL 66 12.476 -4.161 -17.946 543 HA VAL 66 HA VAL 66 14.165 -6.094 -16.726 544 HB VAL 66 HB VAL 66 11.678 -6.311 -18.473 545 1HG1 VAL 66 1HG1 VAL 66 13.046 -8.497 -16.937 546 2HG1 VAL 66 2HG1 VAL 66 12.812 -8.394 -18.715 547 3HG1 VAL 66 3HG1 VAL 66 11.427 -8.651 -17.654 548 1HG2 VAL 66 1HG2 VAL 66 11.673 -5.157 -16.113 549 2HG2 VAL 66 2HG2 VAL 66 12.100 -6.750 -15.431 550 3HG2 VAL 66 3HG2 VAL 66 10.526 -6.491 -16.261 551 H GLY 67 H GLY 67 14.994 -8.020 -17.507 552 1HA GLY 67 1HA GLY 67 16.149 -9.449 -18.929 553 2HA GLY 67 2HA GLY 67 15.136 -8.812 -20.207 554 H LYS 68 H LYS 68 16.955 -6.340 -18.748 555 HA LYS 68 HA LYS 68 19.104 -6.607 -20.863 556 1HB LYS 68 1HB LYS 68 17.532 -4.916 -21.572 557 2HB LYS 68 2HB LYS 68 17.530 -4.194 -19.999 558 1HG LYS 68 1HG LYS 68 19.576 -3.034 -20.382 559 2HG LYS 68 2HG LYS 68 20.233 -4.389 -21.318 560 1HD LYS 68 1HD LYS 68 18.946 -3.695 -23.252 561 2HD LYS 68 2HD LYS 68 17.870 -2.681 -22.273 562 1HE LYS 68 1HE LYS 68 19.273 -0.949 -22.992 563 2HE LYS 68 2HE LYS 68 20.473 -1.580 -21.843 564 1HZ LYS 68 1HZ LYS 68 20.911 -1.299 -24.446 565 2HZ LYS 68 2HZ LYS 68 20.409 -2.931 -24.410 566 3HZ LYS 68 3HZ LYS 68 21.676 -2.405 -23.455 567 H GLU 69 H GLU 69 21.134 -5.890 -20.419 568 HA GLU 69 HA GLU 69 21.857 -5.828 -17.566 569 1HB GLU 69 1HB GLU 69 23.098 -7.287 -19.337 570 2HB GLU 69 2HB GLU 69 23.762 -5.740 -19.928 571 1HG GLU 69 1HG GLU 69 24.631 -5.305 -17.591 572 2HG GLU 69 2HG GLU 69 24.014 -6.830 -17.065 573 H PHE 70 H PHE 70 22.761 -4.077 -16.604 574 HA PHE 70 HA PHE 70 23.055 -1.571 -18.216 575 1HB PHE 70 1HB PHE 70 21.831 -2.002 -15.491 576 2HB PHE 70 2HB PHE 70 22.533 -0.433 -15.965 577 HD1 PHE 70 HD1 PHE 70 20.910 1.104 -16.661 578 HD2 PHE 70 HD2 PHE 70 20.338 -3.045 -17.690 579 HE1 PHE 70 HE1 PHE 70 18.861 1.685 -17.828 580 HE2 PHE 70 HE2 PHE 70 18.267 -2.464 -18.867 581 HZ PHE 70 HZ PHE 70 17.500 -0.123 -18.957 582 H GLU 71 H GLU 71 24.330 0.034 -16.636 583 HA GLU 71 HA GLU 71 26.446 -1.329 -15.069 584 1HB GLU 71 1HB GLU 71 28.254 -0.707 -16.571 585 2HB GLU 71 2HB GLU 71 26.968 -1.623 -17.449 586 1HG GLU 71 1HG GLU 71 26.075 0.803 -18.102 587 2HG GLU 71 2HG GLU 71 27.676 1.327 -17.651 588 H GLU 72 H GLU 72 24.987 0.113 -13.656 589 HA GLU 72 HA GLU 72 24.979 2.866 -13.778 590 1HB GLU 72 1HB GLU 72 24.860 0.836 -11.596 591 2HB GLU 72 2HB GLU 72 25.106 2.507 -11.132 592 1HG GLU 72 1HG GLU 72 22.762 2.347 -11.216 593 2HG GLU 72 2HG GLU 72 23.144 2.994 -12.827 594 H ASP 73 H ASP 73 26.526 4.418 -13.660 595 HA ASP 73 HA ASP 73 29.356 3.816 -13.318 596 1HB ASP 73 1HB ASP 73 29.652 6.173 -13.626 597 2HB ASP 73 2HB ASP 73 28.452 5.592 -14.771 598 H LEU 74 H LEU 74 26.702 4.602 -11.179 599 HA LEU 74 HA LEU 74 28.409 4.429 -8.821 600 1HB LEU 74 1HB LEU 74 28.286 6.373 -7.903 601 2HB LEU 74 2HB LEU 74 28.702 6.719 -9.591 602 HG LEU 74 HG LEU 74 27.179 8.402 -9.068 603 1HD1 LEU 74 1HD1 LEU 74 24.712 7.331 -9.738 604 2HD1 LEU 74 2HD1 LEU 74 25.860 6.212 -10.519 605 3HD1 LEU 74 3HD1 LEU 74 25.930 7.987 -10.816 606 1HD2 LEU 74 1HD2 LEU 74 24.945 7.802 -7.815 607 2HD2 LEU 74 2HD2 LEU 74 26.442 7.924 -6.832 608 3HD2 LEU 74 3HD2 LEU 74 25.740 6.356 -7.252 609 H THR 75 H THR 75 27.489 3.441 -7.283 610 HA THR 75 HA THR 75 24.538 3.164 -7.449 611 HB THR 75 HB THR 75 26.588 1.479 -5.992 612 HG1 THR 75 HG1 THR 75 24.602 0.957 -7.939 613 1HG2 THR 75 1HG2 THR 75 23.717 1.947 -5.224 614 2HG2 THR 75 2HG2 THR 75 24.982 0.983 -4.391 615 3HG2 THR 75 3HG2 THR 75 24.004 0.259 -5.666 616 H GLY 76 H GLY 76 23.247 4.111 -6.286 617 1HA GLY 76 1HA GLY 76 22.277 5.516 -4.651 618 2HA GLY 76 2HA GLY 76 23.325 4.637 -3.501 619 H ILE 77 H ILE 77 24.252 6.175 -2.263 620 HA ILE 77 HA ILE 77 25.651 8.394 -3.811 621 HB ILE 77 HB ILE 77 25.643 9.786 -2.073 622 1HG1 ILE 77 1HG1 ILE 77 24.837 8.660 0.310 623 2HG1 ILE 77 2HG1 ILE 77 25.571 7.281 -0.394 624 1HG2 ILE 77 1HG2 ILE 77 23.159 9.090 -2.812 625 2HG2 ILE 77 2HG2 ILE 77 23.352 10.140 -1.388 626 3HG2 ILE 77 3HG2 ILE 77 23.006 8.399 -1.191 627 1HD1 ILE 77 1HD1 ILE 77 27.320 9.622 -0.917 628 2HD1 ILE 77 2HD1 ILE 77 27.719 8.164 0.020 629 3HD1 ILE 77 3HD1 ILE 77 26.898 9.561 0.772 630 H ASP 78 H ASP 78 25.983 5.439 -2.198 631 HA ASP 78 HA ASP 78 28.653 5.759 -1.070 632 1HB ASP 78 1HB ASP 78 27.434 4.350 0.113 633 2HB ASP 78 2HB ASP 78 26.588 3.724 -1.339 634 H ASP 79 H ASP 79 27.268 5.554 -4.065 635 HA ASP 79 HA ASP 79 27.771 5.004 -6.206 636 1HB ASP 79 1HB ASP 79 30.395 5.827 -5.265 637 2HB ASP 79 2HB ASP 79 29.886 5.795 -6.960 638 H ARG 80 H ARG 80 30.910 4.203 -6.694 639 HA ARG 80 HA ARG 80 32.187 2.366 -6.766 640 1HB ARG 80 1HB ARG 80 30.812 1.559 -4.600 641 2HB ARG 80 2HB ARG 80 30.179 0.400 -5.785 642 1HG ARG 80 1HG ARG 80 32.592 -0.116 -6.439 643 2HG ARG 80 2HG ARG 80 33.104 0.956 -5.184 644 1HD ARG 80 1HD ARG 80 31.781 -0.576 -3.510 645 2HD ARG 80 2HD ARG 80 31.531 -1.709 -4.872 646 HE ARG 80 HE ARG 80 33.813 -2.273 -4.788 647 1HH1 ARG 80 1HH1 ARG 80 33.131 0.481 -2.642 648 2HH1 ARG 80 2HH1 ARG 80 34.703 0.306 -1.886 649 1HH2 ARG 80 1HH2 ARG 80 35.808 -2.389 -3.739 650 2HH2 ARG 80 2HH2 ARG 80 36.231 -1.275 -2.464 651 H LYS 81 H LYS 81 32.363 1.854 -8.830 652 HA LYS 81 HA LYS 81 30.206 1.667 -10.706 653 1HB LYS 81 1HB LYS 81 32.616 -0.068 -11.064 654 2HB LYS 81 2HB LYS 81 31.743 0.772 -12.294 655 1HG LYS 81 1HG LYS 81 33.941 1.856 -10.439 656 2HG LYS 81 2HG LYS 81 33.737 1.918 -12.235 657 1HD LYS 81 1HD LYS 81 32.342 3.747 -12.143 658 2HD LYS 81 2HD LYS 81 31.670 3.324 -10.563 659 1HE LYS 81 1HE LYS 81 33.146 5.415 -10.683 660 2HE LYS 81 2HE LYS 81 33.688 4.260 -9.427 661 1HZ LYS 81 1HZ LYS 81 35.498 3.599 -10.745 662 2HZ LYS 81 2HZ LYS 81 35.468 5.270 -10.777 663 3HZ LYS 81 3HZ LYS 81 34.940 4.437 -12.112 664 H CYS 82 H CYS 82 28.986 -0.126 -11.390 665 HA CYS 82 HA CYS 82 29.732 -2.767 -10.307 666 1HB CYS 82 1HB CYS 82 26.954 -1.517 -9.729 667 2HB CYS 82 2HB CYS 82 27.490 -3.155 -9.354 668 HG CYS 82 HG CYS 82 28.565 -2.950 -7.370 669 H MET 83 H MET 83 28.681 -4.466 -11.394 670 HA MET 83 HA MET 83 27.351 -3.569 -13.928 671 1HB MET 83 1HB MET 83 28.630 -6.225 -13.100 672 2HB MET 83 2HB MET 83 27.842 -6.011 -14.661 673 1HG MET 83 1HG MET 83 29.580 -4.698 -15.524 674 2HG MET 83 2HG MET 83 30.038 -4.028 -13.998 675 1HE MET 83 1HE MET 83 32.752 -6.339 -12.543 676 2HE MET 83 2HE MET 83 31.272 -5.449 -12.069 677 3HE MET 83 3HE MET 83 32.469 -4.630 -13.089 678 H THR 84 H THR 84 25.224 -3.563 -13.698 679 HA THR 84 HA THR 84 23.933 -5.372 -11.696 680 HB THR 84 HB THR 84 23.211 -2.679 -12.656 681 HG1 THR 84 HG1 THR 84 24.859 -3.567 -10.857 682 1HG2 THR 84 1HG2 THR 84 21.665 -3.729 -10.327 683 2HG2 THR 84 2HG2 THR 84 21.441 -4.793 -11.703 684 3HG2 THR 84 3HG2 THR 84 21.035 -3.088 -11.837 685 H THR 85 H THR 85 22.376 -6.759 -12.238 686 HA THR 85 HA THR 85 21.182 -6.513 -14.939 687 HB THR 85 HB THR 85 21.436 -9.220 -13.654 688 HG1 THR 85 HG1 THR 85 23.572 -7.818 -14.857 689 1HG2 THR 85 1HG2 THR 85 21.151 -8.042 -16.490 690 2HG2 THR 85 2HG2 THR 85 20.329 -9.429 -15.745 691 3HG2 THR 85 3HG2 THR 85 21.955 -9.627 -16.341 692 H VAL 86 H VAL 86 19.005 -7.124 -15.038 693 HA VAL 86 HA VAL 86 17.741 -7.618 -12.370 694 HB VAL 86 HB VAL 86 17.249 -5.666 -14.573 695 1HG1 VAL 86 1HG1 VAL 86 14.733 -7.115 -13.642 696 2HG1 VAL 86 2HG1 VAL 86 15.465 -7.457 -15.199 697 3HG1 VAL 86 3HG1 VAL 86 14.866 -5.821 -14.849 698 1HG2 VAL 86 1HG2 VAL 86 15.758 -4.662 -12.707 699 2HG2 VAL 86 2HG2 VAL 86 17.401 -5.022 -12.161 700 3HG2 VAL 86 3HG2 VAL 86 16.053 -6.078 -11.722 701 H SER 87 H SER 87 15.437 -8.946 -12.936 702 HA SER 87 HA SER 87 15.625 -10.583 -15.326 703 1HB SER 87 1HB SER 87 17.104 -12.013 -14.502 704 2HB SER 87 2HB SER 87 17.007 -11.336 -12.842 705 HG SER 87 HG SER 87 16.384 -13.518 -13.093 706 H TRP 88 H TRP 88 14.171 -12.414 -15.249 707 HA TRP 88 HA TRP 88 11.700 -11.749 -13.690 708 1HB TRP 88 1HB TRP 88 11.280 -13.852 -15.621 709 2HB TRP 88 2HB TRP 88 10.489 -12.317 -15.493 710 HD1 TRP 88 HD1 TRP 88 10.911 -10.541 -17.255 711 HE1 TRP 88 HE1 TRP 88 12.502 -10.259 -19.303 712 HE3 TRP 88 HE3 TRP 88 14.010 -14.613 -16.445 713 HZ2 TRP 88 HZ2 TRP 88 14.784 -11.616 -20.396 714 HZ3 TRP 88 HZ3 TRP 88 15.810 -15.041 -17.987 715 HH2 TRP 88 HH2 TRP 88 16.186 -13.540 -19.967 716 H ASP 89 H ASP 89 11.307 -13.114 -12.034 717 HA ASP 89 HA ASP 89 12.556 -15.845 -11.932 718 1HB ASP 89 1HB ASP 89 12.783 -13.881 -10.072 719 2HB ASP 89 2HB ASP 89 11.105 -14.313 -9.750 720 H GLY 90 H GLY 90 9.976 -14.112 -13.072 721 1HA GLY 90 1HA GLY 90 8.023 -15.355 -13.868 722 2HA GLY 90 2HA GLY 90 7.984 -16.214 -12.282 723 H ASP 91 H ASP 91 7.193 -15.172 -10.440 724 HA ASP 91 HA ASP 91 5.639 -12.716 -11.038 725 1HB ASP 91 1HB ASP 91 4.875 -13.010 -8.662 726 2HB ASP 91 2HB ASP 91 4.345 -14.213 -9.848 727 H LYS 92 H LYS 92 8.508 -13.694 -9.142 728 HA LYS 92 HA LYS 92 8.817 -11.100 -7.876 729 1HB LYS 92 1HB LYS 92 10.943 -13.220 -8.180 730 2HB LYS 92 2HB LYS 92 10.737 -12.121 -6.842 731 1HG LYS 92 1HG LYS 92 8.285 -13.598 -6.888 732 2HG LYS 92 2HG LYS 92 9.581 -14.762 -7.299 733 1HD LYS 92 1HD LYS 92 9.928 -12.827 -4.954 734 2HD LYS 92 2HD LYS 92 8.895 -14.242 -4.734 735 1HE LYS 92 1HE LYS 92 11.651 -14.718 -5.926 736 2HE LYS 92 2HE LYS 92 11.413 -14.457 -4.162 737 1HZ LYS 92 1HZ LYS 92 11.344 -16.751 -4.929 738 2HZ LYS 92 2HZ LYS 92 9.946 -16.468 -5.814 739 3HZ LYS 92 3HZ LYS 92 9.916 -16.305 -4.141 740 H LEU 93 H LEU 93 10.299 -9.523 -8.392 741 HA LEU 93 HA LEU 93 11.799 -9.819 -10.969 742 1HB LEU 93 1HB LEU 93 9.705 -8.111 -10.541 743 2HB LEU 93 2HB LEU 93 10.947 -7.165 -9.742 744 HG LEU 93 HG LEU 93 12.317 -7.303 -11.875 745 1HD1 LEU 93 1HD1 LEU 93 9.690 -8.545 -12.970 746 2HD1 LEU 93 2HD1 LEU 93 11.262 -9.328 -12.840 747 3HD1 LEU 93 3HD1 LEU 93 11.049 -7.937 -13.937 748 1HD2 LEU 93 1HD2 LEU 93 11.234 -5.226 -11.622 749 2HD2 LEU 93 2HD2 LEU 93 9.586 -5.942 -11.740 750 3HD2 LEU 93 3HD2 LEU 93 10.534 -5.730 -13.188 751 H GLN 94 H GLN 94 13.907 -10.367 -9.989 752 HA GLN 94 HA GLN 94 14.803 -8.449 -7.872 753 1HB GLN 94 1HB GLN 94 16.208 -10.336 -7.007 754 2HB GLN 94 2HB GLN 94 14.462 -10.356 -6.708 755 1HG GLN 94 1HG GLN 94 14.093 -12.100 -8.312 756 2HG GLN 94 2HG GLN 94 15.648 -11.889 -9.047 757 1HE2 GLN 94 1HE2 GLN 94 14.216 -14.263 -7.693 758 2HE2 GLN 94 2HE2 GLN 94 15.394 -14.879 -6.585 759 H CYS 95 H CYS 95 17.111 -8.446 -7.499 760 HA CYS 95 HA CYS 95 18.676 -8.692 -10.080 761 1HB CYS 95 1HB CYS 95 19.642 -6.538 -9.793 762 2HB CYS 95 2HB CYS 95 17.892 -6.334 -9.752 763 HG CYS 95 HG CYS 95 19.993 -6.615 -7.181 764 H VAL 96 H VAL 96 21.077 -7.936 -9.273 765 HA VAL 96 HA VAL 96 21.740 -9.433 -6.793 766 HB VAL 96 HB VAL 96 22.772 -9.974 -9.572 767 1HG1 VAL 96 1HG1 VAL 96 24.301 -10.440 -6.966 768 2HG1 VAL 96 2HG1 VAL 96 24.844 -9.631 -8.454 769 3HG1 VAL 96 3HG1 VAL 96 24.647 -11.380 -8.423 770 1HG2 VAL 96 1HG2 VAL 96 20.918 -11.387 -8.522 771 2HG2 VAL 96 2HG2 VAL 96 22.024 -11.894 -7.255 772 3HG2 VAL 96 3HG2 VAL 96 22.360 -12.397 -8.899 773 H GLN 97 H GLN 97 23.539 -7.978 -9.437 774 HA GLN 97 HA GLN 97 24.732 -6.027 -9.648 775 1HB GLN 97 1HB GLN 97 24.436 -5.546 -6.679 776 2HB GLN 97 2HB GLN 97 25.025 -4.438 -7.940 777 1HG GLN 97 1HG GLN 97 22.847 -3.995 -8.761 778 2HG GLN 97 2HG GLN 97 22.248 -5.587 -8.312 779 1HE2 GLN 97 1HE2 GLN 97 20.647 -3.525 -7.779 780 2HE2 GLN 97 2HE2 GLN 97 20.632 -3.167 -6.077 781 H LYS 98 H LYS 98 26.765 -6.433 -10.097 782 HA LYS 98 HA LYS 98 28.466 -8.241 -8.533 783 1HB LYS 98 1HB LYS 98 29.219 -6.747 -10.981 784 2HB LYS 98 2HB LYS 98 29.850 -8.249 -10.345 785 1HG LYS 98 1HG LYS 98 26.914 -8.092 -11.145 786 2HG LYS 98 2HG LYS 98 28.151 -8.308 -12.401 787 1HD LYS 98 1HD LYS 98 29.064 -10.250 -11.058 788 2HD LYS 98 2HD LYS 98 27.681 -10.108 -9.943 789 1HE LYS 98 1HE LYS 98 26.215 -11.008 -11.594 790 2HE LYS 98 2HE LYS 98 27.141 -10.265 -12.923 791 1HZ LYS 98 1HZ LYS 98 28.331 -12.109 -13.158 792 2HZ LYS 98 2HZ LYS 98 27.280 -12.857 -12.037 793 3HZ LYS 98 3HZ LYS 98 28.745 -12.191 -11.532 794 H GLY 99 H GLY 99 29.666 -7.361 -6.876 795 1HA GLY 99 1HA GLY 99 31.459 -5.133 -7.417 796 2HA GLY 99 2HA GLY 99 30.262 -4.831 -6.117 797 H GLU 100 H GLU 100 32.128 -4.732 -4.706 798 HA GLU 100 HA GLU 100 33.832 -7.066 -4.306 799 1HB GLU 100 1HB GLU 100 34.703 -4.963 -4.350 800 2HB GLU 100 2HB GLU 100 33.666 -4.440 -2.996 801 1HG GLU 100 1HG GLU 100 35.525 -6.812 -2.557 802 2HG GLU 100 2HG GLU 100 36.220 -5.186 -2.581 803 H LYS 101 H LYS 101 30.728 -5.999 -2.893 804 HA LYS 101 HA LYS 101 31.294 -7.178 -0.289 805 1HB LYS 101 1HB LYS 101 28.594 -6.375 -1.194 806 2HB LYS 101 2HB LYS 101 29.320 -6.497 0.433 807 1HG LYS 101 1HG LYS 101 30.232 -4.439 -1.689 808 2HG LYS 101 2HG LYS 101 28.917 -4.151 -0.513 809 1HD LYS 101 1HD LYS 101 30.546 -4.739 1.360 810 2HD LYS 101 2HD LYS 101 31.820 -4.934 0.165 811 1HE LYS 101 1HE LYS 101 30.847 -2.377 -0.434 812 2HE LYS 101 2HE LYS 101 30.600 -2.488 1.327 813 1HZ LYS 101 1HZ LYS 101 33.143 -3.135 -0.037 814 2HZ LYS 101 2HZ LYS 101 32.871 -3.081 1.626 815 3HZ LYS 101 3HZ LYS 101 32.829 -1.651 0.681 816 H GLU 102 H GLU 102 29.382 -8.576 0.551 817 HA GLU 102 HA GLU 102 29.007 -10.936 -1.239 818 1HB GLU 102 1HB GLU 102 28.955 -12.237 0.921 819 2HB GLU 102 2HB GLU 102 30.509 -11.670 0.297 820 1HG GLU 102 1HG GLU 102 28.989 -10.054 2.357 821 2HG GLU 102 2HG GLU 102 30.048 -11.337 2.889 822 H GLY 103 H GLY 103 27.197 -8.555 -0.727 823 1HA GLY 103 1HA GLY 103 24.808 -10.148 0.098 824 2HA GLY 103 2HA GLY 103 25.209 -8.884 1.158 825 H ARG 104 H ARG 104 26.034 -7.124 -1.364 826 HA ARG 104 HA ARG 104 23.811 -5.538 -1.455 827 1HB ARG 104 1HB ARG 104 25.882 -6.035 -3.592 828 2HB ARG 104 2HB ARG 104 24.684 -4.728 -3.690 829 1HG ARG 104 1HG ARG 104 25.618 -4.164 -1.254 830 2HG ARG 104 2HG ARG 104 27.026 -5.138 -1.787 831 1HD ARG 104 1HD ARG 104 25.989 -2.518 -2.803 832 2HD ARG 104 2HD ARG 104 27.666 -2.979 -2.524 833 HE ARG 104 HE ARG 104 26.147 -3.305 -4.980 834 1HH1 ARG 104 1HH1 ARG 104 28.509 -4.945 -3.048 835 2HH1 ARG 104 2HH1 ARG 104 29.227 -5.850 -4.372 836 1HH2 ARG 104 1HH2 ARG 104 26.968 -4.385 -6.712 837 2HH2 ARG 104 2HH2 ARG 104 28.285 -5.505 -6.522 838 H GLY 105 H GLY 105 22.047 -5.343 -2.818 839 1HA GLY 105 1HA GLY 105 20.984 -6.227 -4.990 840 2HA GLY 105 2HA GLY 105 21.255 -7.835 -4.333 841 H TRP 106 H TRP 106 18.686 -6.562 -4.909 842 HA TRP 106 HA TRP 106 17.436 -6.568 -2.178 843 1HB TRP 106 1HB TRP 106 16.008 -5.088 -4.276 844 2HB TRP 106 2HB TRP 106 16.145 -4.854 -2.544 845 HD1 TRP 106 HD1 TRP 106 19.152 -4.083 -2.114 846 HE1 TRP 106 HE1 TRP 106 20.266 -2.015 -3.261 847 HE3 TRP 106 HE3 TRP 106 15.897 -3.433 -6.050 848 HZ2 TRP 106 HZ2 TRP 106 19.777 -0.360 -5.545 849 HZ3 TRP 106 HZ3 TRP 106 16.278 -1.617 -7.640 850 HH2 TRP 106 HH2 TRP 106 18.244 -0.091 -7.358 851 H THR 107 H THR 107 14.800 -6.712 -2.904 852 HA THR 107 HA THR 107 14.382 -8.627 -5.030 853 HB THR 107 HB THR 107 13.749 -9.604 -2.216 854 HG1 THR 107 HG1 THR 107 16.118 -10.136 -3.687 855 1HG2 THR 107 1HG2 THR 107 14.366 -11.707 -4.189 856 2HG2 THR 107 2HG2 THR 107 13.313 -10.551 -4.996 857 3HG2 THR 107 3HG2 THR 107 12.763 -11.313 -3.497 858 H GLN 108 H GLN 108 12.578 -8.042 -5.828 859 HA GLN 108 HA GLN 108 10.475 -6.592 -4.296 860 1HB GLN 108 1HB GLN 108 10.554 -7.399 -7.209 861 2HB GLN 108 2HB GLN 108 9.627 -6.107 -6.527 862 1HG GLN 108 1HG GLN 108 12.599 -5.903 -6.344 863 2HG GLN 108 2HG GLN 108 11.812 -5.627 -7.915 864 1HE2 GLN 108 1HE2 GLN 108 12.393 -3.338 -7.806 865 2HE2 GLN 108 2HE2 GLN 108 11.556 -2.232 -6.794 866 H TRP 109 H TRP 109 8.634 -7.713 -3.662 867 HA TRP 109 HA TRP 109 7.899 -10.233 -5.121 868 1HB TRP 109 1HB TRP 109 9.240 -11.004 -3.340 869 2HB TRP 109 2HB TRP 109 8.488 -9.976 -2.156 870 HD1 TRP 109 HD1 TRP 109 5.662 -11.547 -4.111 871 HE1 TRP 109 HE1 TRP 109 4.653 -13.505 -2.796 872 HE3 TRP 109 HE3 TRP 109 9.367 -12.090 -0.524 873 HZ2 TRP 109 HZ2 TRP 109 5.347 -15.040 -0.588 874 HZ3 TRP 109 HZ3 TRP 109 9.103 -13.836 1.130 875 HH2 TRP 109 HH2 TRP 109 7.101 -15.340 1.124 876 H ILE 110 H ILE 110 6.137 -9.525 -6.017 877 HA ILE 110 HA ILE 110 4.066 -7.965 -4.624 878 HB ILE 110 HB ILE 110 4.354 -9.144 -7.378 879 1HG1 ILE 110 1HG1 ILE 110 4.546 -6.301 -6.219 880 2HG1 ILE 110 2HG1 ILE 110 5.906 -7.255 -6.677 881 1HG2 ILE 110 1HG2 ILE 110 2.204 -8.666 -7.806 882 2HG2 ILE 110 2HG2 ILE 110 2.397 -7.020 -7.139 883 3HG2 ILE 110 3HG2 ILE 110 1.951 -8.373 -6.058 884 1HD1 ILE 110 1HD1 ILE 110 4.374 -7.330 -9.010 885 2HD1 ILE 110 2HD1 ILE 110 5.650 -6.104 -8.689 886 3HD1 ILE 110 3HD1 ILE 110 3.972 -5.707 -8.398 887 H GLU 111 H GLU 111 2.645 -8.841 -3.392 888 HA GLU 111 HA GLU 111 1.422 -11.464 -4.113 889 1HB GLU 111 1HB GLU 111 2.652 -10.607 -1.580 890 2HB GLU 111 2HB GLU 111 0.983 -11.119 -1.354 891 1HG GLU 111 1HG GLU 111 2.790 -12.928 -2.917 892 2HG GLU 111 2HG GLU 111 2.903 -12.877 -1.144 893 H GLY 112 H GLY 112 -0.776 -11.450 -3.671 894 1HA GLY 112 1HA GLY 112 -2.807 -10.426 -4.092 895 2HA GLY 112 2HA GLY 112 -2.603 -10.132 -2.312 896 H ASP 113 H ASP 113 -2.395 -8.126 -1.595 897 HA ASP 113 HA ASP 113 -2.357 -5.908 -3.568 898 1HB ASP 113 1HB ASP 113 -3.560 -5.414 -0.899 899 2HB ASP 113 2HB ASP 113 -3.877 -4.710 -2.466 900 H GLU 114 H GLU 114 -0.025 -7.202 -2.072 901 HA GLU 114 HA GLU 114 1.096 -4.665 -0.907 902 1HB GLU 114 1HB GLU 114 2.032 -7.081 0.421 903 2HB GLU 114 2HB GLU 114 1.751 -5.497 1.030 904 1HG GLU 114 1HG GLU 114 -0.879 -6.351 0.575 905 2HG GLU 114 2HG GLU 114 -0.113 -7.865 1.022 906 H LEU 115 H LEU 115 3.387 -4.676 -0.616 907 HA LEU 115 HA LEU 115 4.831 -6.466 -2.595 908 1HB LEU 115 1HB LEU 115 5.830 -3.700 -1.848 909 2HB LEU 115 2HB LEU 115 6.131 -4.621 -3.271 910 HG LEU 115 HG LEU 115 3.756 -2.895 -2.603 911 1HD1 LEU 115 1HD1 LEU 115 5.571 -1.655 -3.569 912 2HD1 LEU 115 2HD1 LEU 115 4.570 -2.061 -4.973 913 3HD1 LEU 115 3HD1 LEU 115 6.027 -3.019 -4.604 914 1HD2 LEU 115 1HD2 LEU 115 3.979 -5.291 -4.512 915 2HD2 LEU 115 2HD2 LEU 115 3.308 -3.799 -5.208 916 3HD2 LEU 115 3HD2 LEU 115 2.536 -4.575 -3.789 917 H HIS 116 H HIS 116 5.884 -7.807 -1.232 918 HA HIS 116 HA HIS 116 6.888 -6.666 1.328 919 1HB HIS 116 1HB HIS 116 5.629 -8.814 1.370 920 2HB HIS 116 2HB HIS 116 6.967 -9.539 0.419 921 HD1 HIS 116 HD1 HIS 116 8.537 -10.722 1.991 922 HD2 HIS 116 HD2 HIS 116 6.782 -7.397 3.814 923 HE1 HIS 116 HE1 HIS 116 9.478 -10.652 4.420 924 HE2 HIS 116 HE2 HIS 116 8.362 -8.579 5.483 925 H LEU 117 H LEU 117 8.272 -5.310 0.100 926 HA LEU 117 HA LEU 117 10.444 -6.318 -1.469 927 1HB LEU 117 1HB LEU 117 9.599 -4.130 -1.685 928 2HB LEU 117 2HB LEU 117 9.841 -3.673 -0.091 929 HG LEU 117 HG LEU 117 12.175 -4.417 -1.889 930 1HD1 LEU 117 1HD1 LEU 117 10.844 -1.643 -1.618 931 2HD1 LEU 117 2HD1 LEU 117 10.667 -2.724 -3.017 932 3HD1 LEU 117 3HD1 LEU 117 12.270 -2.015 -2.623 933 1HD2 LEU 117 1HD2 LEU 117 12.806 -2.157 -0.200 934 2HD2 LEU 117 2HD2 LEU 117 13.485 -3.763 -0.141 935 3HD2 LEU 117 3HD2 LEU 117 12.069 -3.407 0.850 936 H GLU 118 H GLU 118 12.644 -6.357 -0.953 937 HA GLU 118 HA GLU 118 13.443 -6.543 1.923 938 1HB GLU 118 1HB GLU 118 13.277 -8.749 -0.009 939 2HB GLU 118 2HB GLU 118 14.879 -8.585 0.744 940 1HG GLU 118 1HG GLU 118 13.861 -8.459 2.984 941 2HG GLU 118 2HG GLU 118 12.268 -8.553 2.279 942 H MET 119 H MET 119 15.431 -5.812 2.285 943 HA MET 119 HA MET 119 17.232 -5.355 -0.042 944 1HB MET 119 1HB MET 119 15.915 -3.336 1.612 945 2HB MET 119 2HB MET 119 17.687 -3.186 1.711 946 1HG MET 119 1HG MET 119 17.897 -2.796 -0.630 947 2HG MET 119 2HG MET 119 16.313 -3.525 -0.944 948 1HE MET 119 1HE MET 119 16.433 -1.236 2.181 949 2HE MET 119 2HE MET 119 16.587 0.397 1.488 950 3HE MET 119 3HE MET 119 17.935 -0.776 1.289 951 H ARG 120 H ARG 120 19.132 -6.234 0.315 952 HA ARG 120 HA ARG 120 20.124 -6.428 3.153 953 1HB ARG 120 1HB ARG 120 20.349 -8.486 0.941 954 2HB ARG 120 2HB ARG 120 21.321 -8.503 2.391 955 1HG ARG 120 1HG ARG 120 19.773 -9.667 3.410 956 2HG ARG 120 2HG ARG 120 18.716 -8.237 3.384 957 1HD ARG 120 1HD ARG 120 17.330 -9.795 2.379 958 2HD ARG 120 2HD ARG 120 18.071 -8.997 0.963 959 HE ARG 120 HE ARG 120 19.314 -10.919 0.543 960 1HH1 ARG 120 1HH1 ARG 120 17.484 -11.317 3.580 961 2HH1 ARG 120 2HH1 ARG 120 17.780 -13.039 3.616 962 1HH2 ARG 120 1HH2 ARG 120 19.646 -13.168 0.692 963 2HH2 ARG 120 2HH2 ARG 120 18.992 -14.106 2.007 964 H ALA 121 H ALA 121 22.343 -6.310 3.482 965 HA ALA 121 HA ALA 121 24.172 -5.790 1.339 966 1HB ALA 121 1HB ALA 121 24.756 -3.387 2.275 967 2HB ALA 121 2HB ALA 121 23.108 -3.454 3.006 968 3HB ALA 121 3HB ALA 121 23.335 -3.546 1.230 969 H GLU 122 H GLU 122 26.086 -6.410 2.098 970 HA GLU 122 HA GLU 122 27.563 -7.456 3.506 971 1HB GLU 122 1HB GLU 122 27.680 -4.852 3.940 972 2HB GLU 122 2HB GLU 122 27.099 -5.295 5.527 973 1HG GLU 122 1HG GLU 122 29.391 -5.345 5.814 974 2HG GLU 122 2HG GLU 122 29.154 -7.052 5.464 975 H GLY 123 H GLY 123 24.773 -8.328 3.766 976 1HA GLY 123 1HA GLY 123 23.944 -10.127 5.102 977 2HA GLY 123 2HA GLY 123 25.121 -9.738 6.310 978 H VAL 124 H VAL 124 23.895 -6.742 5.834 979 HA VAL 124 HA VAL 124 22.024 -7.081 8.127 980 HB VAL 124 HB VAL 124 23.075 -4.636 6.667 981 1HG1 VAL 124 1HG1 VAL 124 20.827 -4.801 8.798 982 2HG1 VAL 124 2HG1 VAL 124 20.717 -4.057 7.197 983 3HG1 VAL 124 3HG1 VAL 124 21.681 -3.308 8.463 984 1HG2 VAL 124 1HG2 VAL 124 24.688 -5.364 8.227 985 2HG2 VAL 124 2HG2 VAL 124 23.493 -5.811 9.471 986 3HG2 VAL 124 3HG2 VAL 124 23.872 -4.103 9.121 987 H THR 125 H THR 125 19.890 -7.314 7.897 988 HA THR 125 HA THR 125 18.675 -6.925 5.205 989 HB THR 125 HB THR 125 17.536 -8.358 7.571 990 HG1 THR 125 HG1 THR 125 18.455 -10.156 6.485 991 1HG2 THR 125 1HG2 THR 125 16.922 -8.353 4.531 992 2HG2 THR 125 2HG2 THR 125 15.822 -7.976 5.883 993 3HG2 THR 125 3HG2 THR 125 16.345 -9.631 5.639 994 H CYS 126 H CYS 126 17.572 -5.209 4.868 995 HA CYS 126 HA CYS 126 15.883 -3.996 7.014 996 1HB CYS 126 1HB CYS 126 17.308 -2.116 6.723 997 2HB CYS 126 2HB CYS 126 17.880 -2.751 5.182 998 HG CYS 126 HG CYS 126 16.915 -0.626 4.473 999 H LYS 127 H LYS 127 13.851 -3.906 6.498 1000 HA LYS 127 HA LYS 127 12.961 -4.614 3.734 1001 1HB LYS 127 1HB LYS 127 10.935 -4.909 5.810 1002 2HB LYS 127 2HB LYS 127 11.515 -6.027 4.590 1003 1HG LYS 127 1HG LYS 127 13.390 -6.746 6.005 1004 2HG LYS 127 2HG LYS 127 12.965 -5.585 7.283 1005 1HD LYS 127 1HD LYS 127 11.891 -7.561 8.011 1006 2HD LYS 127 2HD LYS 127 10.610 -6.727 7.145 1007 1HE LYS 127 1HE LYS 127 10.506 -8.284 5.480 1008 2HE LYS 127 2HE LYS 127 12.280 -8.537 5.413 1009 1HZ LYS 127 1HZ LYS 127 10.785 -10.417 6.386 1010 2HZ LYS 127 2HZ LYS 127 10.831 -9.489 7.771 1011 3HZ LYS 127 3HZ LYS 127 12.273 -10.068 7.056 1012 H GLN 128 H GLN 128 10.647 -4.078 3.317 1013 HA GLN 128 HA GLN 128 9.639 -1.545 4.470 1014 1HB GLN 128 1HB GLN 128 10.901 -1.890 1.780 1015 2HB GLN 128 2HB GLN 128 9.432 -0.962 1.818 1016 1HG GLN 128 1HG GLN 128 11.051 -0.079 4.029 1017 2HG GLN 128 2HG GLN 128 12.163 -0.239 2.674 1018 1HE2 GLN 128 1HE2 GLN 128 8.739 0.738 2.991 1019 2HE2 GLN 128 2HE2 GLN 128 8.902 2.286 2.220 1020 H VAL 129 H VAL 129 7.971 -2.889 5.205 1021 HA VAL 129 HA VAL 129 6.462 -4.518 3.281 1022 HB VAL 129 HB VAL 129 5.393 -3.344 5.898 1023 1HG1 VAL 129 1HG1 VAL 129 4.374 -5.970 5.224 1024 2HG1 VAL 129 2HG1 VAL 129 4.202 -4.955 3.759 1025 3HG1 VAL 129 3HG1 VAL 129 3.448 -4.456 5.277 1026 1HG2 VAL 129 1HG2 VAL 129 6.985 -5.894 5.277 1027 2HG2 VAL 129 2HG2 VAL 129 6.016 -5.660 6.765 1028 3HG2 VAL 129 3HG2 VAL 129 7.381 -4.568 6.397 1029 H PHE 130 H PHE 130 5.290 -3.660 1.638 1030 HA PHE 130 HA PHE 130 4.452 -0.827 1.853 1031 1HB PHE 130 1HB PHE 130 5.300 -2.695 -0.251 1032 2HB PHE 130 2HB PHE 130 3.764 -1.891 -0.698 1033 HD1 PHE 130 HD1 PHE 130 4.293 -0.238 -2.313 1034 HD2 PHE 130 HD2 PHE 130 6.642 -0.510 1.227 1035 HE1 PHE 130 HE1 PHE 130 5.520 1.875 -2.920 1036 HE2 PHE 130 HE2 PHE 130 7.843 1.534 0.667 1037 HZ PHE 130 HZ PHE 130 7.293 2.749 -1.417 1038 H LYS 131 H LYS 131 2.341 -0.480 0.521 1039 HA LYS 131 HA LYS 131 0.336 -2.607 0.963 1040 1HB LYS 131 1HB LYS 131 0.423 -0.973 2.934 1041 2HB LYS 131 2HB LYS 131 0.079 0.332 1.786 1042 1HG LYS 131 1HG LYS 131 -1.930 -0.688 3.181 1043 2HG LYS 131 2HG LYS 131 -2.057 -0.118 1.496 1044 1HD LYS 131 1HD LYS 131 -1.699 -2.483 0.688 1045 2HD LYS 131 2HD LYS 131 -1.530 -3.020 2.383 1046 1HE LYS 131 1HE LYS 131 -4.011 -2.109 0.879 1047 2HE LYS 131 2HE LYS 131 -3.714 -3.563 1.869 1048 1HZ LYS 131 1HZ LYS 131 -4.948 -2.448 3.267 1049 2HZ LYS 131 2HZ LYS 131 -4.526 -0.895 2.694 1050 3HZ LYS 131 3HZ LYS 131 -3.517 -1.707 3.757 1051 H LYS 132 H LYS 132 0.379 -2.764 -1.332 1052 HA LYS 132 HA LYS 132 0.209 -0.461 -3.102 1053 1HB LYS 132 1HB LYS 132 0.890 -2.719 -3.741 1054 2HB LYS 132 2HB LYS 132 -0.739 -3.340 -3.441 1055 1HG LYS 132 1HG LYS 132 -1.626 -2.092 -5.326 1056 2HG LYS 132 2HG LYS 132 -0.109 -1.102 -5.436 1057 1HD LYS 132 1HD LYS 132 -0.117 -2.765 -7.183 1058 2HD LYS 132 2HD LYS 132 1.066 -3.312 -5.974 1059 1HE LYS 132 1HE LYS 132 -0.983 -4.667 -4.986 1060 2HE LYS 132 2HE LYS 132 -1.540 -4.589 -6.704 1061 1HZ LYS 132 1HZ LYS 132 -0.213 -6.324 -7.009 1062 2HZ LYS 132 2HZ LYS 132 0.658 -6.018 -5.576 1063 3HZ LYS 132 3HZ LYS 132 1.049 -5.191 -6.960 1064 H VAL 133 H VAL 133 -1.313 0.958 -2.409 1065 HA VAL 133 HA VAL 133 -3.857 0.478 -1.383 1066 HB VAL 133 HB VAL 133 -2.605 2.635 -1.541 1067 1HG1 VAL 133 1HG1 VAL 133 -2.051 2.390 -3.914 1068 2HG1 VAL 133 2HG1 VAL 133 -2.794 3.954 -3.615 1069 3HG1 VAL 133 3HG1 VAL 133 -3.759 2.708 -4.373 1070 1HG2 VAL 133 1HG2 VAL 133 -4.697 4.056 -2.074 1071 2HG2 VAL 133 2HG2 VAL 133 -5.015 2.886 -0.813 1072 3HG2 VAL 133 3HG2 VAL 133 -5.553 2.564 -2.500 1073 H HIS 134 H HIS 134 -2.633 0.645 -4.686 1074 HA HIS 134 HA HIS 134 -3.628 0.096 -6.762 1075 1HB HIS 134 1HB HIS 134 -3.874 -1.995 -5.140 1076 2HB HIS 134 2HB HIS 134 -5.574 -1.558 -5.294 1077 HD1 HIS 134 HD1 HIS 134 -6.424 -3.367 -6.765 1078 HD2 HIS 134 HD2 HIS 134 -2.961 -1.519 -8.354 1079 HE1 HIS 134 HE1 HIS 134 -6.088 -4.311 -9.160 1080 HE2 HIS 134 HE2 HIS 134 -3.989 -3.165 -10.071 Start of MODEL 21 1 1H PRO 1 1H PRO 1 -2.884 -6.692 -14.021 2 2H PRO 1 2H PRO 1 -3.872 -7.954 -13.679 3 HA PRO 1 HA PRO 1 -2.753 -9.450 -15.080 4 1HB PRO 1 1HB PRO 1 -1.519 -6.997 -16.444 5 2HB PRO 1 2HB PRO 1 -1.709 -8.664 -17.039 6 1HG PRO 1 1HG PRO 1 -3.617 -6.685 -17.437 7 2HG PRO 1 2HG PRO 1 -4.063 -8.400 -17.361 8 1HD PRO 1 1HD PRO 1 -4.695 -6.290 -15.410 9 2HD PRO 1 2HD PRO 1 -5.160 -8.008 -15.285 10 H VAL 2 H VAL 2 -0.225 -9.327 -15.930 11 HA VAL 2 HA VAL 2 1.346 -9.496 -13.508 12 HB VAL 2 HB VAL 2 1.683 -10.577 -16.007 13 1HG1 VAL 2 1HG1 VAL 2 4.117 -8.762 -15.844 14 2HG1 VAL 2 2HG1 VAL 2 2.652 -8.168 -16.600 15 3HG1 VAL 2 3HG1 VAL 2 3.472 -9.637 -17.233 16 1HG2 VAL 2 1HG2 VAL 2 2.612 -11.129 -13.595 17 2HG2 VAL 2 2HG2 VAL 2 4.031 -10.156 -14.047 18 3HG2 VAL 2 3HG2 VAL 2 3.646 -11.619 -14.935 19 H ASP 3 H ASP 3 0.498 -6.866 -15.405 20 HA ASP 3 HA ASP 3 2.639 -5.077 -15.477 21 1HB ASP 3 1HB ASP 3 -0.266 -4.970 -15.378 22 2HB ASP 3 2HB ASP 3 0.440 -3.562 -14.555 23 H PHE 4 H PHE 4 3.871 -4.151 -14.176 24 HA PHE 4 HA PHE 4 3.568 -4.477 -11.236 25 1HB PHE 4 1HB PHE 4 5.817 -3.538 -12.916 26 2HB PHE 4 2HB PHE 4 5.783 -3.412 -11.126 27 HD1 PHE 4 HD1 PHE 4 4.034 -6.315 -11.499 28 HD2 PHE 4 HD2 PHE 4 7.964 -4.854 -12.360 29 HE1 PHE 4 HE1 PHE 4 4.859 -8.583 -11.402 30 HE2 PHE 4 HE2 PHE 4 8.846 -7.130 -12.272 31 HZ PHE 4 HZ PHE 4 7.286 -9.058 -11.794 32 H ASN 5 H ASN 5 2.818 -2.069 -13.454 33 HA ASN 5 HA ASN 5 3.506 0.416 -12.402 34 1HB ASN 5 1HB ASN 5 0.781 -0.456 -13.297 35 2HB ASN 5 2HB ASN 5 1.387 1.240 -13.197 36 1HD2 ASN 5 1HD2 ASN 5 0.317 -0.492 -15.435 37 2HD2 ASN 5 2HD2 ASN 5 1.493 -0.454 -16.682 38 H GLY 6 H GLY 6 2.847 1.772 -10.641 39 1HA GLY 6 1HA GLY 6 0.732 0.552 -8.855 40 2HA GLY 6 2HA GLY 6 2.308 0.759 -8.203 41 H TYR 7 H TYR 7 0.649 1.668 -6.767 42 HA TYR 7 HA TYR 7 0.830 4.560 -6.743 43 1HB TYR 7 1HB TYR 7 -1.628 2.984 -7.321 44 2HB TYR 7 2HB TYR 7 -1.794 4.001 -5.849 45 HD1 TYR 7 HD1 TYR 7 -1.826 4.202 -9.556 46 HD2 TYR 7 HD2 TYR 7 -1.478 6.446 -5.929 47 HE1 TYR 7 HE1 TYR 7 -2.354 6.237 -10.779 48 HE2 TYR 7 HE2 TYR 7 -2.013 8.520 -7.183 49 HH TYR 7 HH TYR 7 -2.595 9.357 -9.166 50 H TRP 8 H TRP 8 2.262 2.727 -5.590 51 HA TRP 8 HA TRP 8 2.085 1.287 -3.352 52 1HB TRP 8 1HB TRP 8 4.075 2.675 -2.585 53 2HB TRP 8 2HB TRP 8 4.240 1.990 -4.192 54 HD1 TRP 8 HD1 TRP 8 4.089 3.666 -6.276 55 HE1 TRP 8 HE1 TRP 8 4.049 6.247 -6.589 56 HE3 TRP 8 HE3 TRP 8 3.315 5.127 -1.388 57 HZ2 TRP 8 HZ2 TRP 8 3.743 8.539 -5.003 58 HZ3 TRP 8 HZ3 TRP 8 3.138 7.540 -0.878 59 HH2 TRP 8 HH2 TRP 8 3.356 9.181 -2.718 60 H LYS 9 H LYS 9 2.542 1.643 -1.201 61 HA LYS 9 HA LYS 9 2.179 4.317 -0.024 62 1HB LYS 9 1HB LYS 9 0.044 4.208 0.516 63 2HB LYS 9 2HB LYS 9 -0.031 2.611 -0.209 64 1HG LYS 9 1HG LYS 9 0.765 1.616 1.983 65 2HG LYS 9 2HG LYS 9 0.832 3.287 2.664 66 1HD LYS 9 1HD LYS 9 -1.395 1.743 2.948 67 2HD LYS 9 2HD LYS 9 -1.400 3.524 2.770 68 1HE LYS 9 1HE LYS 9 -1.974 3.475 0.489 69 2HE LYS 9 2HE LYS 9 -1.695 1.706 0.389 70 1HZ LYS 9 1HZ LYS 9 -4.002 1.944 0.518 71 2HZ LYS 9 2HZ LYS 9 -3.960 3.136 1.698 72 3HZ LYS 9 3HZ LYS 9 -3.519 1.568 2.120 73 H MET 10 H MET 10 3.151 4.209 2.207 74 HA MET 10 HA MET 10 4.798 1.702 2.502 75 1HB MET 10 1HB MET 10 6.405 2.699 3.562 76 2HB MET 10 2HB MET 10 6.013 3.633 2.102 77 1HG MET 10 1HG MET 10 6.327 5.392 3.611 78 2HG MET 10 2HG MET 10 4.598 5.177 3.772 79 1HE MET 10 1HE MET 10 7.865 3.756 4.772 80 2HE MET 10 2HE MET 10 7.142 2.459 5.759 81 3HE MET 10 3HE MET 10 7.847 3.847 6.587 82 H LEU 11 H LEU 11 5.383 1.119 4.799 83 HA LEU 11 HA LEU 11 3.197 1.766 6.772 84 1HB LEU 11 1HB LEU 11 3.587 -0.691 5.388 85 2HB LEU 11 2HB LEU 11 4.338 -0.977 6.878 86 HG LEU 11 HG LEU 11 1.516 -0.028 6.841 87 1HD1 LEU 11 1HD1 LEU 11 2.200 -3.016 6.964 88 2HD1 LEU 11 2HD1 LEU 11 2.017 -2.242 5.409 89 3HD1 LEU 11 3HD1 LEU 11 0.670 -2.274 6.573 90 1HD2 LEU 11 1HD2 LEU 11 2.721 -1.960 8.897 91 2HD2 LEU 11 2HD2 LEU 11 1.456 -0.771 9.145 92 3HD2 LEU 11 3HD2 LEU 11 3.145 -0.232 8.946 93 H SER 12 H SER 12 6.243 -0.200 6.275 94 HA SER 12 HA SER 12 7.631 1.503 8.254 95 1HB SER 12 1HB SER 12 8.006 -0.254 9.897 96 2HB SER 12 2HB SER 12 6.327 0.288 9.824 97 HG SER 12 HG SER 12 7.449 -2.147 9.091 98 H ASN 13 H ASN 13 9.642 0.570 8.901 99 HA ASN 13 HA ASN 13 11.005 -0.939 6.711 100 1HB ASN 13 1HB ASN 13 13.036 0.571 7.336 101 2HB ASN 13 2HB ASN 13 11.674 1.313 6.439 102 1HD2 ASN 13 1HD2 ASN 13 13.729 2.524 8.155 103 2HD2 ASN 13 2HD2 ASN 13 12.871 3.435 9.378 104 H GLU 14 H GLU 14 13.009 -1.963 7.503 105 HA GLU 14 HA GLU 14 13.108 -2.487 10.469 106 1HB GLU 14 1HB GLU 14 11.519 -3.996 9.708 107 2HB GLU 14 2HB GLU 14 12.619 -4.613 8.455 108 1HG GLU 14 1HG GLU 14 12.706 -6.207 10.076 109 2HG GLU 14 2HG GLU 14 14.201 -5.277 10.305 110 H ASN 15 H ASN 15 15.249 -2.757 11.147 111 HA ASN 15 HA ASN 15 17.507 -3.021 11.167 112 1HB ASN 15 1HB ASN 15 16.489 -5.086 9.480 113 2HB ASN 15 2HB ASN 15 18.110 -4.585 8.960 114 1HD2 ASN 15 1HD2 ASN 15 19.924 -5.045 10.367 115 2HD2 ASN 15 2HD2 ASN 15 19.753 -5.939 11.818 116 H PHE 16 H PHE 16 16.280 -0.759 9.564 117 HA PHE 16 HA PHE 16 17.832 -0.334 7.207 118 1HB PHE 16 1HB PHE 16 15.674 0.627 7.816 119 2HB PHE 16 2HB PHE 16 16.493 1.690 8.969 120 HD1 PHE 16 HD1 PHE 16 16.014 0.821 5.419 121 HD2 PHE 16 HD2 PHE 16 17.776 3.667 8.077 122 HE1 PHE 16 HE1 PHE 16 16.389 2.318 3.546 123 HE2 PHE 16 HE2 PHE 16 18.164 5.254 6.187 124 HZ PHE 16 HZ PHE 16 17.494 4.590 3.934 125 H GLU 17 H GLU 17 18.542 0.340 10.665 126 HA GLU 17 HA GLU 17 20.638 2.276 10.058 127 1HB GLU 17 1HB GLU 17 19.777 0.841 12.578 128 2HB GLU 17 2HB GLU 17 21.234 1.839 12.468 129 1HG GLU 17 1HG GLU 17 20.140 3.751 12.455 130 2HG GLU 17 2HG GLU 17 18.872 3.162 11.349 131 H GLU 18 H GLU 18 20.424 -1.183 10.468 132 HA GLU 18 HA GLU 18 23.322 -1.531 10.793 133 1HB GLU 18 1HB GLU 18 20.992 -3.296 10.847 134 2HB GLU 18 2HB GLU 18 22.451 -4.023 10.120 135 1HG GLU 18 1HG GLU 18 22.563 -4.554 12.457 136 2HG GLU 18 2HG GLU 18 23.717 -3.303 12.217 137 H TYR 19 H TYR 19 20.979 -1.413 8.232 138 HA TYR 19 HA TYR 19 22.495 -2.639 6.108 139 1HB TYR 19 1HB TYR 19 20.293 -2.445 5.503 140 2HB TYR 19 2HB TYR 19 20.074 -0.955 6.430 141 HD1 TYR 19 HD1 TYR 19 22.185 -1.881 3.323 142 HD2 TYR 19 HD2 TYR 19 19.455 0.855 5.174 143 HE1 TYR 19 HE1 TYR 19 22.241 -0.512 1.327 144 HE2 TYR 19 HE2 TYR 19 19.521 2.264 3.114 145 HH TYR 19 HH TYR 19 20.040 2.190 0.866 146 H LEU 20 H LEU 20 22.150 0.755 7.301 147 HA LEU 20 HA LEU 20 23.965 1.871 5.259 148 1HB LEU 20 1HB LEU 20 23.220 3.243 7.807 149 2HB LEU 20 2HB LEU 20 23.651 3.884 6.307 150 HG LEU 20 HG LEU 20 21.118 2.208 6.293 151 1HD1 LEU 20 1HD1 LEU 20 21.227 4.970 7.558 152 2HD1 LEU 20 2HD1 LEU 20 20.974 3.466 8.479 153 3HD1 LEU 20 3HD1 LEU 20 19.758 4.028 7.309 154 1HD2 LEU 20 1HD2 LEU 20 20.394 4.382 4.957 155 2HD2 LEU 20 2HD2 LEU 20 21.644 3.356 4.238 156 3HD2 LEU 20 3HD2 LEU 20 22.125 4.846 5.063 157 H ARG 21 H ARG 21 24.301 0.395 8.412 158 HA ARG 21 HA ARG 21 26.915 1.595 8.950 159 1HB ARG 21 1HB ARG 21 24.888 -0.075 10.283 160 2HB ARG 21 2HB ARG 21 26.502 -0.785 10.445 161 1HG ARG 21 1HG ARG 21 25.497 1.935 11.463 162 2HG ARG 21 2HG ARG 21 26.103 0.553 12.362 163 1HD ARG 21 1HD ARG 21 28.212 1.267 12.236 164 2HD ARG 21 2HD ARG 21 28.139 1.271 10.488 165 HE ARG 21 HE ARG 21 26.990 3.648 10.852 166 1HH1 ARG 21 1HH1 ARG 21 29.797 2.311 12.723 167 2HH1 ARG 21 2HH1 ARG 21 30.330 3.950 13.022 168 1HH2 ARG 21 1HH2 ARG 21 27.898 5.714 11.410 169 2HH2 ARG 21 2HH2 ARG 21 29.382 5.697 12.322 170 H ALA 22 H ALA 22 25.555 -1.138 7.329 171 HA ALA 22 HA ALA 22 27.765 -2.947 7.230 172 1HB ALA 22 1HB ALA 22 26.487 -4.046 5.413 173 2HB ALA 22 2HB ALA 22 25.300 -2.735 5.501 174 3HB ALA 22 3HB ALA 22 25.594 -3.781 6.933 175 H LEU 23 H LEU 23 26.779 -0.164 5.364 176 HA LEU 23 HA LEU 23 28.989 -0.657 3.382 177 1HB LEU 23 1HB LEU 23 27.180 1.507 2.721 178 2HB LEU 23 2HB LEU 23 27.785 0.255 1.708 179 HG LEU 23 HG LEU 23 25.836 -1.019 3.423 180 1HD1 LEU 23 1HD1 LEU 23 24.678 1.263 1.795 181 2HD1 LEU 23 2HD1 LEU 23 24.967 1.460 3.522 182 3HD1 LEU 23 3HD1 LEU 23 23.873 0.168 2.924 183 1HD2 LEU 23 1HD2 LEU 23 25.512 -0.350 0.446 184 2HD2 LEU 23 2HD2 LEU 23 24.994 -1.800 1.331 185 3HD2 LEU 23 3HD2 LEU 23 26.711 -1.509 0.961 186 H ASP 24 H ASP 24 28.518 0.703 6.183 187 HA ASP 24 HA ASP 24 29.176 2.617 7.312 188 1HB ASP 24 1HB ASP 24 31.657 3.150 6.506 189 2HB ASP 24 2HB ASP 24 31.122 1.770 7.538 190 H VAL 25 H VAL 25 27.428 3.965 6.151 191 HA VAL 25 HA VAL 25 28.592 5.844 4.198 192 HB VAL 25 HB VAL 25 26.475 6.632 3.806 193 1HG1 VAL 25 1HG1 VAL 25 25.000 4.693 3.389 194 2HG1 VAL 25 2HG1 VAL 25 26.126 3.636 4.304 195 3HG1 VAL 25 3HG1 VAL 25 26.670 4.485 2.850 196 1HG2 VAL 25 1HG2 VAL 25 25.168 5.061 6.067 197 2HG2 VAL 25 2HG2 VAL 25 24.618 6.589 5.297 198 3HG2 VAL 25 3HG2 VAL 25 25.890 6.638 6.490 199 H ASN 26 H ASN 26 28.052 8.274 4.669 200 HA ASN 26 HA ASN 26 29.542 9.102 6.900 201 1HB ASN 26 1HB ASN 26 27.562 10.627 5.292 202 2HB ASN 26 2HB ASN 26 28.359 11.279 6.714 203 1HD2 ASN 26 1HD2 ASN 26 30.617 12.020 6.410 204 2HD2 ASN 26 2HD2 ASN 26 31.476 11.733 4.955 205 H VAL 27 H VAL 27 28.870 9.959 9.022 206 HA VAL 27 HA VAL 27 26.735 8.457 10.242 207 HB VAL 27 HB VAL 27 28.920 9.195 11.211 208 1HG1 VAL 27 1HG1 VAL 27 27.647 11.590 12.489 209 2HG1 VAL 27 2HG1 VAL 27 27.905 11.840 10.773 210 3HG1 VAL 27 3HG1 VAL 27 29.273 11.382 11.844 211 1HG2 VAL 27 1HG2 VAL 27 27.860 9.256 13.505 212 2HG2 VAL 27 2HG2 VAL 27 27.293 7.925 12.484 213 3HG2 VAL 27 3HG2 VAL 27 26.252 9.337 12.723 214 H ALA 28 H ALA 28 26.851 11.626 8.869 215 HA ALA 28 HA ALA 28 24.516 12.737 10.283 216 1HB ALA 28 1HB ALA 28 24.708 14.616 8.929 217 2HB ALA 28 2HB ALA 28 25.796 13.765 7.787 218 3HB ALA 28 3HB ALA 28 26.339 14.112 9.453 219 H LEU 29 H LEU 29 25.220 11.008 7.293 220 HA LEU 29 HA LEU 29 22.729 11.508 5.920 221 1HB LEU 29 1HB LEU 29 24.645 10.906 4.679 222 2HB LEU 29 2HB LEU 29 24.910 9.481 5.619 223 HG LEU 29 HG LEU 29 22.732 8.539 4.744 224 1HD1 LEU 29 1HD1 LEU 29 22.335 10.284 2.480 225 2HD1 LEU 29 2HD1 LEU 29 22.387 11.317 3.917 226 3HD1 LEU 29 3HD1 LEU 29 21.205 10.020 3.811 227 1HD2 LEU 29 1HD2 LEU 29 25.032 8.215 3.596 228 2HD2 LEU 29 2HD2 LEU 29 24.512 9.417 2.412 229 3HD2 LEU 29 3HD2 LEU 29 23.616 7.877 2.628 230 H ARG 30 H ARG 30 23.881 8.693 7.838 231 HA ARG 30 HA ARG 30 21.776 6.890 7.414 232 1HB ARG 30 1HB ARG 30 23.911 6.327 8.354 233 2HB ARG 30 2HB ARG 30 23.665 7.314 9.768 234 1HG ARG 30 1HG ARG 30 21.414 5.748 10.031 235 2HG ARG 30 2HG ARG 30 22.416 4.637 9.136 236 1HD ARG 30 1HD ARG 30 23.027 4.032 11.187 237 2HD ARG 30 2HD ARG 30 24.304 5.169 10.853 238 HE ARG 30 HE ARG 30 21.833 6.039 12.313 239 1HH1 ARG 30 1HH1 ARG 30 25.435 5.859 12.230 240 2HH1 ARG 30 2HH1 ARG 30 25.494 6.851 13.632 241 1HH2 ARG 30 1HH2 ARG 30 22.110 7.289 14.151 242 2HH2 ARG 30 2HH2 ARG 30 23.742 7.627 14.696 243 H LYS 31 H LYS 31 22.078 9.485 9.756 244 HA LYS 31 HA LYS 31 19.684 8.773 11.271 245 1HB LYS 31 1HB LYS 31 21.544 9.940 12.321 246 2HB LYS 31 2HB LYS 31 21.420 11.289 11.204 247 1HG LYS 31 1HG LYS 31 18.812 11.019 12.403 248 2HG LYS 31 2HG LYS 31 19.969 10.967 13.730 249 1HD LYS 31 1HD LYS 31 20.874 13.024 13.340 250 2HD LYS 31 2HD LYS 31 20.436 13.083 11.645 251 1HE LYS 31 1HE LYS 31 17.990 12.907 13.345 252 2HE LYS 31 2HE LYS 31 19.048 14.261 13.785 253 1HZ LYS 31 1HZ LYS 31 19.019 14.873 11.305 254 2HZ LYS 31 2HZ LYS 31 17.503 14.953 12.042 255 3HZ LYS 31 3HZ LYS 31 17.916 13.654 11.069 256 H ILE 32 H ILE 32 20.466 10.821 8.588 257 HA ILE 32 HA ILE 32 17.898 12.234 8.481 258 HB ILE 32 HB ILE 32 20.222 11.970 6.494 259 1HG1 ILE 32 1HG1 ILE 32 20.597 13.459 8.546 260 2HG1 ILE 32 2HG1 ILE 32 20.720 14.310 7.028 261 1HG2 ILE 32 1HG2 ILE 32 17.525 13.359 6.263 262 2HG2 ILE 32 2HG2 ILE 32 18.205 12.164 5.121 263 3HG2 ILE 32 3HG2 ILE 32 18.926 13.774 5.240 264 1HD1 ILE 32 1HD1 ILE 32 18.388 15.164 7.316 265 2HD1 ILE 32 2HD1 ILE 32 19.440 15.582 8.684 266 3HD1 ILE 32 3HD1 ILE 32 18.238 14.271 8.833 267 H ALA 33 H ALA 33 19.441 9.424 6.871 268 HA ALA 33 HA ALA 33 17.222 9.000 5.055 269 1HB ALA 33 1HB ALA 33 19.590 7.273 5.781 270 2HB ALA 33 2HB ALA 33 19.497 8.459 4.471 271 3HB ALA 33 3HB ALA 33 18.428 7.032 4.405 272 H ASN 34 H ASN 34 17.674 8.441 8.413 273 HA ASN 34 HA ASN 34 16.287 5.851 8.480 274 1HB ASN 34 1HB ASN 34 17.891 5.750 9.944 275 2HB ASN 34 2HB ASN 34 17.868 7.498 10.329 276 1HD2 ASN 34 1HD2 ASN 34 16.797 8.133 12.156 277 2HD2 ASN 34 2HD2 ASN 34 15.775 7.163 13.124 278 H LEU 35 H LEU 35 15.499 9.359 9.250 279 HA LEU 35 HA LEU 35 13.017 8.426 10.496 280 1HB LEU 35 1HB LEU 35 12.707 11.015 10.620 281 2HB LEU 35 2HB LEU 35 13.604 10.091 11.846 282 HG LEU 35 HG LEU 35 15.701 10.591 10.796 283 1HD1 LEU 35 1HD1 LEU 35 14.402 11.166 8.457 284 2HD1 LEU 35 2HD1 LEU 35 15.995 11.804 8.790 285 3HD1 LEU 35 3HD1 LEU 35 14.539 12.809 9.097 286 1HD2 LEU 35 1HD2 LEU 35 15.303 13.352 11.183 287 2HD2 LEU 35 2HD2 LEU 35 15.258 12.228 12.524 288 3HD2 LEU 35 3HD2 LEU 35 13.753 12.775 11.782 289 H LEU 36 H LEU 36 14.200 9.318 7.461 290 HA LEU 36 HA LEU 36 11.845 10.560 6.270 291 1HB LEU 36 1HB LEU 36 14.549 10.285 5.629 292 2HB LEU 36 2HB LEU 36 13.927 9.120 4.658 293 HG LEU 36 HG LEU 36 13.881 12.080 4.410 294 1HD1 LEU 36 1HD1 LEU 36 13.843 11.462 2.011 295 2HD1 LEU 36 2HD1 LEU 36 13.490 9.797 2.378 296 3HD1 LEU 36 3HD1 LEU 36 15.043 10.463 2.901 297 1HD2 LEU 36 1HD2 LEU 36 11.659 12.082 3.027 298 2HD2 LEU 36 2HD2 LEU 36 11.508 12.019 4.768 299 3HD2 LEU 36 3HD2 LEU 36 11.277 10.528 3.827 300 H LYS 37 H LYS 37 9.989 9.225 5.756 301 HA LYS 37 HA LYS 37 10.496 6.342 5.278 302 1HB LYS 37 1HB LYS 37 7.692 6.916 5.139 303 2HB LYS 37 2HB LYS 37 8.598 5.964 6.305 304 1HG LYS 37 1HG LYS 37 9.097 8.160 7.554 305 2HG LYS 37 2HG LYS 37 8.079 9.005 6.372 306 1HD LYS 37 1HD LYS 37 6.334 7.043 7.194 307 2HD LYS 37 2HD LYS 37 7.340 7.128 8.628 308 1HE LYS 37 1HE LYS 37 6.340 9.764 7.575 309 2HE LYS 37 2HE LYS 37 5.211 8.690 8.459 310 1HZ LYS 37 1HZ LYS 37 7.019 8.527 10.173 311 2HZ LYS 37 2HZ LYS 37 6.076 9.951 10.098 312 3HZ LYS 37 3HZ LYS 37 7.659 9.931 9.479 313 HA PRO 38 HA PRO 38 9.693 7.501 0.996 314 1HB PRO 38 1HB PRO 38 10.055 4.667 0.298 315 2HB PRO 38 2HB PRO 38 11.149 6.064 0.009 316 1HG PRO 38 1HG PRO 38 11.765 4.068 1.845 317 2HG PRO 38 2HG PRO 38 12.094 5.804 2.238 318 1HD PRO 38 1HD PRO 38 9.485 4.273 2.780 319 2HD PRO 38 2HD PRO 38 10.669 4.865 3.998 320 H ASP 39 H ASP 39 8.860 6.519 -1.000 321 HA ASP 39 HA ASP 39 6.221 5.143 -0.907 322 1HB ASP 39 1HB ASP 39 5.576 6.983 -2.549 323 2HB ASP 39 2HB ASP 39 5.378 7.296 -0.786 324 H LYS 40 H LYS 40 6.068 4.052 -3.020 325 HA LYS 40 HA LYS 40 8.503 4.375 -4.717 326 1HB LYS 40 1HB LYS 40 7.200 2.164 -3.669 327 2HB LYS 40 2HB LYS 40 6.358 2.302 -5.199 328 1HG LYS 40 1HG LYS 40 8.435 0.748 -5.148 329 2HG LYS 40 2HG LYS 40 8.388 1.997 -6.440 330 1HD LYS 40 1HD LYS 40 10.073 3.214 -5.425 331 2HD LYS 40 2HD LYS 40 9.565 2.714 -3.780 332 1HE LYS 40 1HE LYS 40 11.047 0.982 -3.725 333 2HE LYS 40 2HE LYS 40 10.601 0.424 -5.327 334 1HZ LYS 40 1HZ LYS 40 12.749 2.259 -4.532 335 2HZ LYS 40 2HZ LYS 40 11.984 2.556 -6.005 336 3HZ LYS 40 3HZ LYS 40 12.754 1.091 -5.726 337 H GLU 41 H GLU 41 6.782 3.161 -6.901 338 HA GLU 41 HA GLU 41 4.623 4.394 -7.906 339 1HB GLU 41 1HB GLU 41 6.133 6.686 -7.506 340 2HB GLU 41 2HB GLU 41 6.748 6.150 -9.074 341 1HG GLU 41 1HG GLU 41 3.742 6.327 -8.490 342 2HG GLU 41 2HG GLU 41 4.619 7.692 -9.067 343 H ILE 42 H ILE 42 4.551 2.884 -9.547 344 HA ILE 42 HA ILE 42 7.159 2.374 -11.040 345 HB ILE 42 HB ILE 42 4.928 0.400 -10.666 346 1HG1 ILE 42 1HG1 ILE 42 6.005 1.052 -8.454 347 2HG1 ILE 42 2HG1 ILE 42 6.084 -0.610 -8.890 348 1HG2 ILE 42 1HG2 ILE 42 6.418 -0.253 -12.597 349 2HG2 ILE 42 2HG2 ILE 42 7.221 -1.043 -11.217 350 3HG2 ILE 42 3HG2 ILE 42 7.805 0.509 -11.758 351 1HD1 ILE 42 1HD1 ILE 42 8.304 0.209 -8.069 352 2HD1 ILE 42 2HD1 ILE 42 8.393 1.389 -9.380 353 3HD1 ILE 42 3HD1 ILE 42 8.471 -0.366 -9.712 354 H VAL 43 H VAL 43 7.174 2.196 -13.212 355 HA VAL 43 HA VAL 43 4.587 2.328 -14.688 356 HB VAL 43 HB VAL 43 6.912 4.281 -14.970 357 1HG1 VAL 43 1HG1 VAL 43 4.282 3.997 -16.516 358 2HG1 VAL 43 2HG1 VAL 43 5.925 3.929 -17.174 359 3HG1 VAL 43 3HG1 VAL 43 5.268 5.480 -16.660 360 1HG2 VAL 43 1HG2 VAL 43 5.452 4.835 -12.970 361 2HG2 VAL 43 2HG2 VAL 43 4.041 4.873 -13.998 362 3HG2 VAL 43 3HG2 VAL 43 5.331 6.065 -14.258 363 H GLN 44 H GLN 44 5.027 0.368 -15.563 364 HA GLN 44 HA GLN 44 7.606 -0.041 -17.041 365 1HB GLN 44 1HB GLN 44 6.997 -1.565 -15.116 366 2HB GLN 44 2HB GLN 44 5.711 -2.218 -16.089 367 1HG GLN 44 1HG GLN 44 8.720 -2.213 -16.757 368 2HG GLN 44 2HG GLN 44 7.796 -3.588 -16.117 369 1HE2 GLN 44 1HE2 GLN 44 6.212 -4.596 -17.474 370 2HE2 GLN 44 2HE2 GLN 44 6.195 -4.466 -19.185 371 H ASP 45 H ASP 45 7.379 0.274 -19.177 372 HA ASP 45 HA ASP 45 4.735 -0.408 -20.421 373 1HB ASP 45 1HB ASP 45 5.148 2.042 -20.647 374 2HB ASP 45 2HB ASP 45 6.868 1.785 -21.013 375 H GLY 46 H GLY 46 4.949 -2.063 -21.819 376 1HA GLY 46 1HA GLY 46 5.864 -3.679 -23.231 377 2HA GLY 46 2HA GLY 46 7.166 -2.506 -23.635 378 H ASP 47 H ASP 47 9.099 -2.982 -23.084 379 HA ASP 47 HA ASP 47 9.601 -4.971 -20.898 380 1HB ASP 47 1HB ASP 47 11.580 -4.400 -23.086 381 2HB ASP 47 2HB ASP 47 11.527 -5.736 -21.918 382 H HIS 48 H HIS 48 10.174 -1.708 -22.046 383 HA HIS 48 HA HIS 48 12.519 -1.206 -20.406 384 1HB HIS 48 1HB HIS 48 10.650 0.655 -21.943 385 2HB HIS 48 2HB HIS 48 12.225 1.115 -21.207 386 HD1 HIS 48 HD1 HIS 48 12.041 1.769 -24.001 387 HD2 HIS 48 HD2 HIS 48 13.163 -2.096 -22.826 388 HE1 HIS 48 HE1 HIS 48 13.279 0.812 -25.979 389 HE2 HIS 48 HE2 HIS 48 13.973 -1.575 -25.265 390 H MET 49 H MET 49 12.340 -0.837 -18.333 391 HA MET 49 HA MET 49 9.720 0.004 -17.132 392 1HB MET 49 1HB MET 49 10.782 -2.086 -16.424 393 2HB MET 49 2HB MET 49 12.130 -1.181 -15.748 394 1HG MET 49 1HG MET 49 10.690 -0.261 -14.019 395 2HG MET 49 2HG MET 49 9.233 -0.438 -15.006 396 1HE MET 49 1HE MET 49 11.354 -2.470 -12.073 397 2HE MET 49 2HE MET 49 12.172 -2.390 -13.648 398 3HE MET 49 3HE MET 49 11.526 -3.954 -13.110 399 H ILE 50 H ILE 50 9.622 1.494 -15.498 400 HA ILE 50 HA ILE 50 11.987 3.246 -15.044 401 HB ILE 50 HB ILE 50 9.242 4.420 -15.564 402 1HG1 ILE 50 1HG1 ILE 50 11.372 4.503 -17.753 403 2HG1 ILE 50 2HG1 ILE 50 10.275 3.169 -17.649 404 1HG2 ILE 50 1HG2 ILE 50 10.996 6.412 -16.220 405 2HG2 ILE 50 2HG2 ILE 50 12.145 5.467 -15.297 406 3HG2 ILE 50 3HG2 ILE 50 10.658 6.067 -14.508 407 1HD1 ILE 50 1HD1 ILE 50 9.451 6.080 -18.110 408 2HD1 ILE 50 2HD1 ILE 50 8.282 4.801 -17.740 409 3HD1 ILE 50 3HD1 ILE 50 9.286 4.672 -19.191 410 H ILE 51 H ILE 51 12.122 3.529 -12.881 411 HA ILE 51 HA ILE 51 9.577 3.382 -11.242 412 HB ILE 51 HB ILE 51 12.437 2.533 -10.662 413 1HG1 ILE 51 1HG1 ILE 51 10.370 0.502 -10.105 414 2HG1 ILE 51 2HG1 ILE 51 10.097 1.160 -11.682 415 1HG2 ILE 51 1HG2 ILE 51 10.556 1.767 -8.539 416 2HG2 ILE 51 2HG2 ILE 51 10.396 3.508 -8.818 417 3HG2 ILE 51 3HG2 ILE 51 11.986 2.770 -8.413 418 1HD1 ILE 51 1HD1 ILE 51 11.680 -0.451 -12.322 419 2HD1 ILE 51 2HD1 ILE 51 12.499 -0.450 -10.742 420 3HD1 ILE 51 3HD1 ILE 51 12.833 0.798 -11.933 421 H ARG 52 H ARG 52 9.233 5.163 -10.124 422 HA ARG 52 HA ARG 52 11.429 7.225 -9.933 423 1HB ARG 52 1HB ARG 52 9.174 8.678 -9.704 424 2HB ARG 52 2HB ARG 52 10.158 8.459 -11.189 425 1HG ARG 52 1HG ARG 52 8.482 6.409 -11.614 426 2HG ARG 52 2HG ARG 52 7.452 7.268 -10.511 427 1HD ARG 52 1HD ARG 52 8.111 9.359 -12.003 428 2HD ARG 52 2HD ARG 52 8.578 8.110 -13.191 429 HE ARG 52 HE ARG 52 6.055 7.286 -12.647 430 1HH1 ARG 52 1HH1 ARG 52 7.260 10.518 -13.239 431 2HH1 ARG 52 2HH1 ARG 52 5.721 11.071 -13.903 432 1HH2 ARG 52 1HH2 ARG 52 4.078 8.004 -13.504 433 2HH2 ARG 52 2HH2 ARG 52 3.955 9.629 -14.032 434 H THR 53 H THR 53 12.104 6.806 -7.919 435 HA THR 53 HA THR 53 10.294 6.412 -5.633 436 HB THR 53 HB THR 53 13.258 7.190 -5.785 437 HG1 THR 53 HG1 THR 53 12.932 5.199 -6.653 438 1HG2 THR 53 1HG2 THR 53 13.255 7.223 -3.414 439 2HG2 THR 53 2HG2 THR 53 12.303 5.703 -3.373 440 3HG2 THR 53 3HG2 THR 53 11.510 7.275 -3.482 441 H LEU 54 H LEU 54 9.578 7.967 -4.334 442 HA LEU 54 HA LEU 54 9.799 10.833 -5.164 443 1HB LEU 54 1HB LEU 54 7.579 9.302 -4.058 444 2HB LEU 54 2HB LEU 54 7.598 11.081 -4.178 445 HG LEU 54 HG LEU 54 8.447 9.852 -6.717 446 1HD1 LEU 54 1HD1 LEU 54 7.084 8.008 -6.177 447 2HD1 LEU 54 2HD1 LEU 54 6.117 9.051 -7.259 448 3HD1 LEU 54 3HD1 LEU 54 5.783 9.000 -5.508 449 1HD2 LEU 54 1HD2 LEU 54 7.025 12.199 -5.720 450 2HD2 LEU 54 2HD2 LEU 54 6.071 11.377 -6.950 451 3HD2 LEU 54 3HD2 LEU 54 7.730 11.875 -7.324 452 H SER 55 H SER 55 11.842 10.310 -3.417 453 HA SER 55 HA SER 55 10.915 10.996 -0.681 454 1HB SER 55 1HB SER 55 13.689 10.568 -2.004 455 2HB SER 55 2HB SER 55 13.421 10.951 -0.276 456 HG SER 55 HG SER 55 13.675 8.678 -0.796 457 H THR 56 H THR 56 10.956 13.079 -0.042 458 HA THR 56 HA THR 56 11.473 15.239 -1.976 459 HB THR 56 HB THR 56 9.956 15.176 0.214 460 HG1 THR 56 HG1 THR 56 11.318 17.527 -0.555 461 1HG2 THR 56 1HG2 THR 56 12.199 16.897 1.370 462 2HG2 THR 56 2HG2 THR 56 12.358 15.143 1.530 463 3HG2 THR 56 3HG2 THR 56 10.953 15.940 2.210 464 H PHE 57 H PHE 57 13.408 13.248 0.074 465 HA PHE 57 HA PHE 57 15.612 15.229 0.319 466 1HB PHE 57 1HB PHE 57 15.041 13.669 2.242 467 2HB PHE 57 2HB PHE 57 15.398 12.312 1.198 468 HD1 PHE 57 HD1 PHE 57 17.385 11.260 1.847 469 HD2 PHE 57 HD2 PHE 57 17.257 15.538 1.744 470 HE1 PHE 57 HE1 PHE 57 19.738 11.298 2.432 471 HE2 PHE 57 HE2 PHE 57 19.652 15.627 2.331 472 HZ PHE 57 HZ PHE 57 20.943 13.502 2.677 473 H ARG 58 H ARG 58 15.963 15.317 -2.025 474 HA ARG 58 HA ARG 58 16.926 14.649 -4.067 475 1HB ARG 58 1HB ARG 58 18.839 12.815 -3.386 476 2HB ARG 58 2HB ARG 58 18.942 14.568 -3.575 477 1HG ARG 58 1HG ARG 58 18.367 14.747 -1.091 478 2HG ARG 58 2HG ARG 58 18.696 12.976 -1.048 479 1HD ARG 58 1HD ARG 58 20.628 14.621 -0.468 480 2HD ARG 58 2HD ARG 58 20.889 13.153 -1.395 481 HE ARG 58 HE ARG 58 21.611 14.481 -3.167 482 1HH1 ARG 58 1HH1 ARG 58 19.319 16.445 -1.295 483 2HH1 ARG 58 2HH1 ARG 58 19.524 17.820 -2.351 484 1HH2 ARG 58 1HH2 ARG 58 21.855 16.289 -4.485 485 2HH2 ARG 58 2HH2 ARG 58 20.908 17.712 -4.077 486 H ASN 59 H ASN 59 14.962 13.727 -4.704 487 HA ASN 59 HA ASN 59 14.535 10.864 -4.507 488 1HB ASN 59 1HB ASN 59 12.995 11.211 -6.524 489 2HB ASN 59 2HB ASN 59 12.551 12.030 -4.987 490 1HD2 ASN 59 1HD2 ASN 59 11.373 12.915 -7.288 491 2HD2 ASN 59 2HD2 ASN 59 12.026 14.473 -7.710 492 H TYR 60 H TYR 60 16.305 9.794 -5.194 493 HA TYR 60 HA TYR 60 17.436 10.325 -7.823 494 1HB TYR 60 1HB TYR 60 18.863 8.488 -7.560 495 2HB TYR 60 2HB TYR 60 18.853 9.392 -5.972 496 HD1 TYR 60 HD1 TYR 60 18.073 8.269 -3.958 497 HD2 TYR 60 HD2 TYR 60 17.640 6.324 -7.784 498 HE1 TYR 60 HE1 TYR 60 17.447 6.163 -2.831 499 HE2 TYR 60 HE2 TYR 60 17.021 4.245 -6.675 500 HH TYR 60 HH TYR 60 15.946 3.772 -4.209 501 H ILE 61 H ILE 61 16.807 9.469 -9.649 502 HA ILE 61 HA ILE 61 14.465 7.599 -9.620 503 HB ILE 61 HB ILE 61 15.458 9.162 -12.050 504 1HG1 ILE 61 1HG1 ILE 61 15.146 10.844 -10.501 505 2HG1 ILE 61 2HG1 ILE 61 13.758 10.876 -11.495 506 1HG2 ILE 61 1HG2 ILE 61 12.916 8.943 -12.548 507 2HG2 ILE 61 2HG2 ILE 61 12.793 7.789 -11.222 508 3HG2 ILE 61 3HG2 ILE 61 13.791 7.416 -12.645 509 1HD1 ILE 61 1HD1 ILE 61 13.927 9.757 -8.564 510 2HD1 ILE 61 2HD1 ILE 61 12.445 9.631 -9.559 511 3HD1 ILE 61 3HD1 ILE 61 13.089 11.196 -9.096 512 H MET 62 H MET 62 14.390 5.987 -11.461 513 HA MET 62 HA MET 62 17.047 5.099 -12.530 514 1HB MET 62 1HB MET 62 15.126 3.164 -11.169 515 2HB MET 62 2HB MET 62 16.708 2.885 -11.855 516 1HG MET 62 1HG MET 62 16.552 4.916 -9.597 517 2HG MET 62 2HG MET 62 16.455 3.165 -9.218 518 1HE MET 62 1HE MET 62 17.843 1.528 -10.815 519 2HE MET 62 2HE MET 62 19.509 1.583 -10.235 520 3HE MET 62 3HE MET 62 19.126 2.182 -11.887 521 H ASP 63 H ASP 63 16.810 3.886 -14.313 522 HA ASP 63 HA ASP 63 14.065 3.558 -15.410 523 1HB ASP 63 1HB ASP 63 16.242 4.209 -17.375 524 2HB ASP 63 2HB ASP 63 14.546 4.819 -17.317 525 H PHE 64 H PHE 64 14.268 1.311 -14.832 526 HA PHE 64 HA PHE 64 16.626 -0.217 -15.506 527 1HB PHE 64 1HB PHE 64 14.005 -0.693 -14.260 528 2HB PHE 64 2HB PHE 64 14.860 -2.087 -15.015 529 HD1 PHE 64 HD1 PHE 64 14.251 -0.790 -11.910 530 HD2 PHE 64 HD2 PHE 64 17.637 -1.615 -14.388 531 HE1 PHE 64 HE1 PHE 64 15.643 -0.931 -9.921 532 HE2 PHE 64 HE2 PHE 64 19.082 -1.775 -12.352 533 HZ PHE 64 HZ PHE 64 18.117 -1.436 -10.127 534 H GLN 65 H GLN 65 16.193 -2.413 -16.456 535 HA GLN 65 HA GLN 65 14.483 -2.420 -18.851 536 1HB GLN 65 1HB GLN 65 17.476 -2.229 -18.886 537 2HB GLN 65 2HB GLN 65 16.734 -3.456 -19.940 538 1HG GLN 65 1HG GLN 65 15.199 -1.414 -20.739 539 2HG GLN 65 2HG GLN 65 16.497 -0.439 -19.988 540 1HE2 GLN 65 1HE2 GLN 65 15.705 -2.596 -22.690 541 2HE2 GLN 65 2HE2 GLN 65 17.164 -2.378 -23.585 542 H VAL 66 H VAL 66 13.432 -4.286 -18.506 543 HA VAL 66 HA VAL 66 14.226 -6.178 -16.570 544 HB VAL 66 HB VAL 66 12.197 -5.896 -18.689 545 1HG1 VAL 66 1HG1 VAL 66 11.515 -8.431 -18.378 546 2HG1 VAL 66 2HG1 VAL 66 13.202 -8.677 -17.891 547 3HG1 VAL 66 3HG1 VAL 66 12.814 -8.079 -19.519 548 1HG2 VAL 66 1HG2 VAL 66 11.346 -5.440 -16.536 549 2HG2 VAL 66 2HG2 VAL 66 12.387 -6.663 -15.784 550 3HG2 VAL 66 3HG2 VAL 66 10.927 -7.187 -16.644 551 H GLY 67 H GLY 67 15.327 -8.016 -16.651 552 1HA GLY 67 1HA GLY 67 16.546 -9.849 -17.406 553 2HA GLY 67 2HA GLY 67 15.927 -9.599 -18.984 554 H LYS 68 H LYS 68 17.241 -6.666 -18.979 555 HA LYS 68 HA LYS 68 19.805 -7.703 -19.913 556 1HB LYS 68 1HB LYS 68 18.263 -5.166 -20.302 557 2HB LYS 68 2HB LYS 68 20.005 -5.102 -20.411 558 1HG LYS 68 1HG LYS 68 20.055 -6.744 -22.163 559 2HG LYS 68 2HG LYS 68 18.387 -7.253 -21.839 560 1HD LYS 68 1HD LYS 68 17.445 -5.249 -22.812 561 2HD LYS 68 2HD LYS 68 18.978 -4.385 -22.679 562 1HE LYS 68 1HE LYS 68 18.087 -5.450 -25.015 563 2HE LYS 68 2HE LYS 68 19.816 -5.280 -24.671 564 1HZ LYS 68 1HZ LYS 68 18.366 -7.748 -23.863 565 2HZ LYS 68 2HZ LYS 68 19.979 -7.575 -24.387 566 3HZ LYS 68 3HZ LYS 68 18.705 -7.499 -25.482 567 H GLU 69 H GLU 69 21.806 -6.537 -19.510 568 HA GLU 69 HA GLU 69 22.329 -6.061 -16.697 569 1HB GLU 69 1HB GLU 69 23.868 -6.440 -19.146 570 2HB GLU 69 2HB GLU 69 24.471 -5.034 -18.246 571 1HG GLU 69 1HG GLU 69 25.677 -6.751 -17.248 572 2HG GLU 69 2HG GLU 69 24.277 -6.704 -16.155 573 H PHE 70 H PHE 70 23.252 -4.096 -15.807 574 HA PHE 70 HA PHE 70 22.710 -1.602 -17.236 575 1HB PHE 70 1HB PHE 70 20.485 -2.145 -16.776 576 2HB PHE 70 2HB PHE 70 20.864 -2.621 -15.122 577 HD1 PHE 70 HD1 PHE 70 21.351 -0.814 -13.412 578 HD2 PHE 70 HD2 PHE 70 20.285 0.203 -17.485 579 HE1 PHE 70 HE1 PHE 70 20.934 1.525 -12.742 580 HE2 PHE 70 HE2 PHE 70 19.871 2.467 -16.791 581 HZ PHE 70 HZ PHE 70 20.166 3.219 -14.475 582 H GLU 71 H GLU 71 24.511 -0.535 -16.596 583 HA GLU 71 HA GLU 71 25.608 -0.937 -13.940 584 1HB GLU 71 1HB GLU 71 27.468 0.153 -14.657 585 2HB GLU 71 2HB GLU 71 26.845 -0.548 -16.153 586 1HG GLU 71 1HG GLU 71 25.679 1.776 -16.617 587 2HG GLU 71 2HG GLU 71 26.614 2.368 -15.276 588 H GLU 72 H GLU 72 25.659 0.573 -12.321 589 HA GLU 72 HA GLU 72 23.444 2.568 -12.428 590 1HB GLU 72 1HB GLU 72 23.627 0.600 -10.870 591 2HB GLU 72 2HB GLU 72 24.668 1.686 -9.891 592 1HG GLU 72 1HG GLU 72 22.949 3.407 -9.799 593 2HG GLU 72 2HG GLU 72 21.861 2.484 -10.765 594 H ASP 73 H ASP 73 26.821 2.260 -11.239 595 HA ASP 73 HA ASP 73 28.355 3.921 -10.559 596 1HB ASP 73 1HB ASP 73 27.674 4.529 -13.092 597 2HB ASP 73 2HB ASP 73 26.923 5.923 -12.285 598 H LEU 74 H LEU 74 25.988 3.658 -8.989 599 HA LEU 74 HA LEU 74 24.490 5.848 -8.172 600 1HB LEU 74 1HB LEU 74 24.861 3.381 -7.402 601 2HB LEU 74 2HB LEU 74 25.781 4.181 -6.156 602 HG LEU 74 HG LEU 74 23.339 3.746 -5.575 603 1HD1 LEU 74 1HD1 LEU 74 24.854 6.059 -4.951 604 2HD1 LEU 74 2HD1 LEU 74 23.464 5.371 -4.097 605 3HD1 LEU 74 3HD1 LEU 74 23.213 6.611 -5.340 606 1HD2 LEU 74 1HD2 LEU 74 22.449 6.113 -7.155 607 2HD2 LEU 74 2HD2 LEU 74 21.551 4.677 -6.703 608 3HD2 LEU 74 3HD2 LEU 74 22.658 4.589 -8.090 609 H THR 75 H THR 75 25.079 7.878 -7.764 610 HA THR 75 HA THR 75 27.494 8.362 -6.062 611 HB THR 75 HB THR 75 27.095 10.700 -7.520 612 HG1 THR 75 HG1 THR 75 25.844 9.691 -9.019 613 1HG2 THR 75 1HG2 THR 75 29.232 9.634 -8.893 614 2HG2 THR 75 2HG2 THR 75 29.215 8.481 -7.521 615 3HG2 THR 75 3HG2 THR 75 29.381 10.204 -7.236 616 H GLY 76 H GLY 76 24.245 8.323 -6.018 617 1HA GLY 76 1HA GLY 76 23.624 11.046 -5.092 618 2HA GLY 76 2HA GLY 76 22.569 9.615 -5.095 619 H ILE 77 H ILE 77 24.129 7.783 -3.576 620 HA ILE 77 HA ILE 77 24.740 9.121 -0.995 621 HB ILE 77 HB ILE 77 23.432 7.118 0.066 622 1HG1 ILE 77 1HG1 ILE 77 21.322 6.798 -1.616 623 2HG1 ILE 77 2HG1 ILE 77 22.640 6.807 -2.766 624 1HG2 ILE 77 1HG2 ILE 77 22.492 9.746 -0.789 625 2HG2 ILE 77 2HG2 ILE 77 22.010 8.803 0.646 626 3HG2 ILE 77 3HG2 ILE 77 21.121 8.621 -0.886 627 1HD1 ILE 77 1HD1 ILE 77 23.596 5.103 -0.747 628 2HD1 ILE 77 2HD1 ILE 77 22.878 4.596 -2.296 629 3HD1 ILE 77 3HD1 ILE 77 21.891 4.687 -0.807 630 H ASP 78 H ASP 78 26.283 8.029 0.114 631 HA ASP 78 HA ASP 78 27.899 6.494 0.599 632 1HB ASP 78 1HB ASP 78 26.673 4.563 -1.369 633 2HB ASP 78 2HB ASP 78 27.838 4.246 -0.062 634 H ASP 79 H ASP 79 27.189 6.219 -2.877 635 HA ASP 79 HA ASP 79 28.363 6.936 -4.682 636 1HB ASP 79 1HB ASP 79 30.954 7.332 -3.252 637 2HB ASP 79 2HB ASP 79 30.299 8.029 -4.742 638 H ARG 80 H ARG 80 28.050 4.755 -5.325 639 HA ARG 80 HA ARG 80 30.615 3.396 -5.896 640 1HB ARG 80 1HB ARG 80 29.441 1.167 -5.217 641 2HB ARG 80 2HB ARG 80 30.454 2.114 -4.091 642 1HG ARG 80 1HG ARG 80 28.740 2.829 -2.810 643 2HG ARG 80 2HG ARG 80 27.555 2.808 -4.106 644 1HD ARG 80 1HD ARG 80 27.559 0.300 -4.012 645 2HD ARG 80 2HD ARG 80 28.520 0.402 -2.482 646 HE ARG 80 HE ARG 80 26.628 1.126 -1.387 647 1HH1 ARG 80 1HH1 ARG 80 25.937 1.388 -4.913 648 2HH1 ARG 80 2HH1 ARG 80 24.282 1.768 -4.631 649 1HH2 ARG 80 1HH2 ARG 80 24.411 1.622 -1.168 650 2HH2 ARG 80 2HH2 ARG 80 23.462 1.875 -2.616 651 H LYS 81 H LYS 81 30.578 2.192 -7.647 652 HA LYS 81 HA LYS 81 28.084 2.335 -9.339 653 1HB LYS 81 1HB LYS 81 29.477 1.772 -11.166 654 2HB LYS 81 2HB LYS 81 30.406 2.990 -10.317 655 1HG LYS 81 1HG LYS 81 31.509 0.937 -9.083 656 2HG LYS 81 2HG LYS 81 30.870 -0.025 -10.439 657 1HD LYS 81 1HD LYS 81 33.006 0.532 -11.184 658 2HD LYS 81 2HD LYS 81 32.015 1.787 -11.956 659 1HE LYS 81 1HE LYS 81 34.215 2.576 -10.722 660 2HE LYS 81 2HE LYS 81 32.702 3.435 -10.269 661 1HZ LYS 81 1HZ LYS 81 32.789 2.442 -8.176 662 2HZ LYS 81 2HZ LYS 81 34.434 2.441 -8.514 663 3HZ LYS 81 3HZ LYS 81 33.538 1.051 -8.716 664 H CYS 82 H CYS 82 27.935 0.189 -10.709 665 HA CYS 82 HA CYS 82 28.829 -2.245 -9.504 666 1HB CYS 82 1HB CYS 82 26.508 -3.028 -8.666 667 2HB CYS 82 2HB CYS 82 27.336 -1.934 -7.625 668 HG CYS 82 HG CYS 82 25.596 -0.435 -7.385 669 H MET 83 H MET 83 27.768 -4.067 -10.697 670 HA MET 83 HA MET 83 26.526 -3.173 -13.259 671 1HB MET 83 1HB MET 83 28.233 -4.502 -14.006 672 2HB MET 83 2HB MET 83 28.380 -5.417 -12.485 673 1HG MET 83 1HG MET 83 26.502 -6.814 -13.063 674 2HG MET 83 2HG MET 83 26.075 -5.794 -14.453 675 1HE MET 83 1HE MET 83 27.835 -5.216 -16.339 676 2HE MET 83 2HE MET 83 28.955 -6.393 -17.060 677 3HE MET 83 3HE MET 83 29.477 -5.409 -15.635 678 H THR 84 H THR 84 24.491 -3.376 -13.172 679 HA THR 84 HA THR 84 23.179 -5.294 -11.255 680 HB THR 84 HB THR 84 22.574 -2.517 -11.960 681 HG1 THR 84 HG1 THR 84 23.607 -2.364 -10.215 682 1HG2 THR 84 1HG2 THR 84 20.871 -3.926 -9.943 683 2HG2 THR 84 2HG2 THR 84 20.482 -4.351 -11.625 684 3HG2 THR 84 3HG2 THR 84 20.456 -2.650 -11.118 685 H THR 85 H THR 85 22.017 -6.818 -12.108 686 HA THR 85 HA THR 85 20.549 -6.315 -14.718 687 HB THR 85 HB THR 85 21.161 -9.093 -13.750 688 HG1 THR 85 HG1 THR 85 23.191 -8.890 -13.813 689 1HG2 THR 85 1HG2 THR 85 20.545 -9.619 -15.876 690 2HG2 THR 85 2HG2 THR 85 21.849 -8.602 -16.557 691 3HG2 THR 85 3HG2 THR 85 20.240 -7.917 -16.205 692 H VAL 86 H VAL 86 18.483 -6.273 -14.464 693 HA VAL 86 HA VAL 86 17.278 -7.482 -12.038 694 HB VAL 86 HB VAL 86 16.390 -5.481 -14.196 695 1HG1 VAL 86 1HG1 VAL 86 14.619 -7.025 -12.296 696 2HG1 VAL 86 2HG1 VAL 86 14.392 -6.569 -13.982 697 3HG1 VAL 86 3HG1 VAL 86 14.220 -5.344 -12.680 698 1HG2 VAL 86 1HG2 VAL 86 15.882 -4.006 -12.123 699 2HG2 VAL 86 2HG2 VAL 86 17.600 -4.385 -12.237 700 3HG2 VAL 86 3HG2 VAL 86 16.592 -5.271 -11.093 701 H SER 87 H SER 87 16.894 -9.596 -12.481 702 HA SER 87 HA SER 87 15.871 -10.384 -15.194 703 1HB SER 87 1HB SER 87 16.657 -12.435 -13.195 704 2HB SER 87 2HB SER 87 16.838 -12.415 -14.936 705 HG SER 87 HG SER 87 18.437 -10.822 -14.670 706 H TRP 88 H TRP 88 14.668 -12.563 -14.979 707 HA TRP 88 HA TRP 88 12.497 -12.253 -12.939 708 1HB TRP 88 1HB TRP 88 12.547 -13.389 -15.790 709 2HB TRP 88 2HB TRP 88 11.284 -13.848 -14.694 710 HD1 TRP 88 HD1 TRP 88 11.016 -10.585 -13.530 711 HE1 TRP 88 HE1 TRP 88 9.732 -8.992 -15.071 712 HE3 TRP 88 HE3 TRP 88 11.272 -13.262 -17.964 713 HZ2 TRP 88 HZ2 TRP 88 8.913 -8.825 -17.744 714 HZ3 TRP 88 HZ3 TRP 88 10.192 -12.268 -19.956 715 HH2 TRP 88 HH2 TRP 88 9.018 -10.064 -19.839 716 H ASP 89 H ASP 89 12.091 -13.884 -11.642 717 HA ASP 89 HA ASP 89 13.805 -16.289 -11.798 718 1HB ASP 89 1HB ASP 89 13.466 -14.490 -9.826 719 2HB ASP 89 2HB ASP 89 12.070 -15.565 -9.408 720 H GLY 90 H GLY 90 10.583 -15.096 -10.851 721 1HA GLY 90 1HA GLY 90 8.913 -16.279 -12.569 722 2HA GLY 90 2HA GLY 90 9.271 -17.626 -11.367 723 H ASP 91 H ASP 91 7.900 -14.388 -11.828 724 HA ASP 91 HA ASP 91 6.385 -13.185 -10.600 725 1HB ASP 91 1HB ASP 91 6.024 -15.695 -8.959 726 2HB ASP 91 2HB ASP 91 5.094 -14.194 -8.826 727 H LYS 92 H LYS 92 9.037 -12.847 -10.174 728 HA LYS 92 HA LYS 92 9.260 -11.619 -7.550 729 1HB LYS 92 1HB LYS 92 10.639 -14.242 -8.150 730 2HB LYS 92 2HB LYS 92 11.542 -13.019 -7.295 731 1HG LYS 92 1HG LYS 92 9.217 -13.058 -5.769 732 2HG LYS 92 2HG LYS 92 9.134 -14.669 -6.466 733 1HD LYS 92 1HD LYS 92 11.400 -13.422 -4.859 734 2HD LYS 92 2HD LYS 92 10.323 -14.763 -4.344 735 1HE LYS 92 1HE LYS 92 11.202 -16.195 -6.200 736 2HE LYS 92 2HE LYS 92 12.426 -14.928 -6.582 737 1HZ LYS 92 1HZ LYS 92 12.343 -16.890 -4.522 738 2HZ LYS 92 2HZ LYS 92 12.833 -15.339 -3.989 739 3HZ LYS 92 3HZ LYS 92 13.617 -16.129 -5.278 740 H LEU 93 H LEU 93 10.330 -9.853 -7.937 741 HA LEU 93 HA LEU 93 11.897 -9.570 -10.382 742 1HB LEU 93 1HB LEU 93 10.557 -7.829 -8.463 743 2HB LEU 93 2HB LEU 93 12.176 -7.274 -8.737 744 HG LEU 93 HG LEU 93 10.486 -7.941 -11.101 745 1HD1 LEU 93 1HD1 LEU 93 9.826 -5.341 -11.060 746 2HD1 LEU 93 2HD1 LEU 93 10.291 -5.442 -9.347 747 3HD1 LEU 93 3HD1 LEU 93 8.990 -6.445 -9.945 748 1HD2 LEU 93 1HD2 LEU 93 11.997 -5.697 -11.758 749 2HD2 LEU 93 2HD2 LEU 93 12.666 -7.351 -11.911 750 3HD2 LEU 93 3HD2 LEU 93 13.008 -6.361 -10.494 751 H GLN 94 H GLN 94 13.435 -11.212 -9.778 752 HA GLN 94 HA GLN 94 15.151 -10.862 -7.476 753 1HB GLN 94 1HB GLN 94 14.547 -12.848 -9.345 754 2HB GLN 94 2HB GLN 94 16.235 -12.476 -9.673 755 1HG GLN 94 1HG GLN 94 14.865 -13.652 -7.270 756 2HG GLN 94 2HG GLN 94 16.342 -14.164 -8.048 757 1HE2 GLN 94 1HE2 GLN 94 15.391 -13.267 -5.154 758 2HE2 GLN 94 2HE2 GLN 94 16.690 -12.283 -4.594 759 H CYS 95 H CYS 95 16.391 -9.140 -7.370 760 HA CYS 95 HA CYS 95 17.945 -8.450 -9.851 761 1HB CYS 95 1HB CYS 95 18.175 -6.395 -7.791 762 2HB CYS 95 2HB CYS 95 17.615 -6.308 -9.481 763 HG CYS 95 HG CYS 95 15.206 -6.711 -9.173 764 H VAL 96 H VAL 96 20.134 -8.388 -9.915 765 HA VAL 96 HA VAL 96 21.605 -9.045 -7.368 766 HB VAL 96 HB VAL 96 21.833 -10.324 -10.098 767 1HG1 VAL 96 1HG1 VAL 96 23.833 -10.264 -7.807 768 2HG1 VAL 96 2HG1 VAL 96 24.184 -9.843 -9.467 769 3HG1 VAL 96 3HG1 VAL 96 23.801 -11.549 -9.056 770 1HG2 VAL 96 1HG2 VAL 96 22.009 -12.122 -7.873 771 2HG2 VAL 96 2HG2 VAL 96 20.653 -11.958 -9.014 772 3HG2 VAL 96 3HG2 VAL 96 20.660 -11.022 -7.508 773 H GLN 97 H GLN 97 23.211 -7.772 -6.912 774 HA GLN 97 HA GLN 97 24.367 -6.060 -9.079 775 1HB GLN 97 1HB GLN 97 24.553 -4.439 -6.846 776 2HB GLN 97 2HB GLN 97 23.273 -4.297 -8.084 777 1HG GLN 97 1HG GLN 97 22.740 -6.194 -5.858 778 2HG GLN 97 2HG GLN 97 22.785 -4.488 -5.420 779 1HE2 GLN 97 1HE2 GLN 97 20.554 -4.126 -5.071 780 2HE2 GLN 97 2HE2 GLN 97 19.391 -4.274 -6.357 781 H LYS 98 H LYS 98 26.571 -5.747 -8.849 782 HA LYS 98 HA LYS 98 27.901 -6.759 -6.376 783 1HB LYS 98 1HB LYS 98 29.441 -8.106 -7.654 784 2HB LYS 98 2HB LYS 98 27.858 -8.768 -7.388 785 1HG LYS 98 1HG LYS 98 27.214 -8.500 -9.690 786 2HG LYS 98 2HG LYS 98 28.542 -7.315 -9.996 787 1HD LYS 98 1HD LYS 98 30.164 -8.912 -10.094 788 2HD LYS 98 2HD LYS 98 29.348 -10.073 -9.044 789 1HE LYS 98 1HE LYS 98 29.462 -10.677 -11.522 790 2HE LYS 98 2HE LYS 98 27.769 -10.687 -10.887 791 1HZ LYS 98 1HZ LYS 98 29.000 -8.502 -12.478 792 2HZ LYS 98 2HZ LYS 98 27.482 -8.472 -11.755 793 3HZ LYS 98 3HZ LYS 98 27.832 -9.615 -12.952 794 H GLY 99 H GLY 99 29.148 -4.934 -5.899 795 1HA GLY 99 1HA GLY 99 31.144 -4.198 -7.885 796 2HA GLY 99 2HA GLY 99 29.936 -2.919 -7.617 797 H GLU 100 H GLU 100 32.218 -5.037 -5.889 798 HA GLU 100 HA GLU 100 33.887 -4.337 -4.369 799 1HB GLU 100 1HB GLU 100 33.365 -1.992 -5.068 800 2HB GLU 100 2HB GLU 100 32.377 -1.911 -3.592 801 1HG GLU 100 1HG GLU 100 34.311 -1.250 -2.563 802 2HG GLU 100 2HG GLU 100 34.648 -2.954 -2.536 803 H LYS 101 H LYS 101 31.249 -5.834 -3.977 804 HA LYS 101 HA LYS 101 31.458 -5.786 -1.019 805 1HB LYS 101 1HB LYS 101 29.401 -4.647 -2.359 806 2HB LYS 101 2HB LYS 101 28.708 -6.244 -2.039 807 1HG LYS 101 1HG LYS 101 28.903 -3.979 -0.305 808 2HG LYS 101 2HG LYS 101 28.109 -5.585 -0.050 809 1HD LYS 101 1HD LYS 101 29.533 -5.529 1.762 810 2HD LYS 101 2HD LYS 101 30.538 -6.381 0.610 811 1HE LYS 101 1HE LYS 101 32.111 -4.777 0.902 812 2HE LYS 101 2HE LYS 101 31.053 -3.664 -0.013 813 1HZ LYS 101 1HZ LYS 101 29.894 -3.347 2.276 814 2HZ LYS 101 2HZ LYS 101 31.297 -2.499 1.895 815 3HZ LYS 101 3HZ LYS 101 31.367 -3.843 2.886 816 H GLU 102 H GLU 102 29.270 -7.740 -0.705 817 HA GLU 102 HA GLU 102 30.220 -10.174 -2.159 818 1HB GLU 102 1HB GLU 102 29.981 -9.657 0.821 819 2HB GLU 102 2HB GLU 102 29.691 -11.267 0.229 820 1HG GLU 102 1HG GLU 102 32.220 -9.746 -0.479 821 2HG GLU 102 2HG GLU 102 32.078 -10.510 1.094 822 H GLY 103 H GLY 103 27.821 -9.077 0.305 823 1HA GLY 103 1HA GLY 103 25.797 -10.850 -0.971 824 2HA GLY 103 2HA GLY 103 25.825 -10.397 0.688 825 H ARG 104 H ARG 104 26.043 -8.203 -2.233 826 HA ARG 104 HA ARG 104 23.837 -6.555 -1.155 827 1HB ARG 104 1HB ARG 104 26.027 -6.319 -3.085 828 2HB ARG 104 2HB ARG 104 24.516 -5.591 -3.634 829 1HG ARG 104 1HG ARG 104 24.424 -4.469 -1.294 830 2HG ARG 104 2HG ARG 104 26.157 -4.805 -1.192 831 1HD ARG 104 1HD ARG 104 25.229 -3.635 -3.795 832 2HD ARG 104 2HD ARG 104 25.086 -2.593 -2.373 833 HE ARG 104 HE ARG 104 27.665 -3.479 -2.111 834 1HH1 ARG 104 1HH1 ARG 104 25.959 -2.125 -5.019 835 2HH1 ARG 104 2HH1 ARG 104 27.499 -1.540 -5.590 836 1HH2 ARG 104 1HH2 ARG 104 29.537 -2.608 -3.069 837 2HH2 ARG 104 2HH2 ARG 104 29.400 -1.776 -4.564 838 H GLY 105 H GLY 105 22.121 -5.838 -2.771 839 1HA GLY 105 1HA GLY 105 21.043 -6.427 -4.907 840 2HA GLY 105 2HA GLY 105 21.332 -8.156 -4.514 841 H TRP 106 H TRP 106 18.697 -6.335 -4.801 842 HA TRP 106 HA TRP 106 17.601 -6.765 -2.065 843 1HB TRP 106 1HB TRP 106 16.102 -5.343 -4.201 844 2HB TRP 106 2HB TRP 106 16.004 -5.221 -2.471 845 HD1 TRP 106 HD1 TRP 106 19.485 -4.822 -2.342 846 HE1 TRP 106 HE1 TRP 106 20.292 -2.401 -2.662 847 HE3 TRP 106 HE3 TRP 106 15.291 -2.867 -4.528 848 HZ2 TRP 106 HZ2 TRP 106 19.352 0.051 -3.693 849 HZ3 TRP 106 HZ3 TRP 106 15.349 -0.433 -5.163 850 HH2 TRP 106 HH2 TRP 106 17.313 0.973 -4.752 851 H THR 107 H THR 107 15.167 -7.267 -2.273 852 HA THR 107 HA THR 107 14.681 -9.210 -4.468 853 HB THR 107 HB THR 107 14.054 -9.895 -1.578 854 HG1 THR 107 HG1 THR 107 16.320 -9.710 -1.787 855 1HG2 THR 107 1HG2 THR 107 14.396 -12.292 -2.901 856 2HG2 THR 107 2HG2 THR 107 13.869 -11.291 -4.281 857 3HG2 THR 107 3HG2 THR 107 12.870 -11.450 -2.800 858 H GLN 108 H GLN 108 12.881 -8.694 -5.306 859 HA GLN 108 HA GLN 108 10.813 -7.210 -3.721 860 1HB GLN 108 1HB GLN 108 12.021 -7.063 -6.453 861 2HB GLN 108 2HB GLN 108 10.310 -7.175 -6.548 862 1HG GLN 108 1HG GLN 108 10.365 -5.310 -4.646 863 2HG GLN 108 2HG GLN 108 11.919 -4.928 -5.493 864 1HE2 GLN 108 1HE2 GLN 108 8.445 -5.592 -6.204 865 2HE2 GLN 108 2HE2 GLN 108 8.344 -4.489 -7.551 866 H TRP 109 H TRP 109 8.827 -8.116 -3.456 867 HA TRP 109 HA TRP 109 8.042 -10.479 -5.167 868 1HB TRP 109 1HB TRP 109 9.119 -11.291 -3.063 869 2HB TRP 109 2HB TRP 109 7.946 -10.429 -2.112 870 HD1 TRP 109 HD1 TRP 109 5.195 -11.175 -3.666 871 HE1 TRP 109 HE1 TRP 109 4.304 -13.530 -3.476 872 HE3 TRP 109 HE3 TRP 109 9.521 -13.632 -2.336 873 HZ2 TRP 109 HZ2 TRP 109 5.211 -16.145 -2.853 874 HZ3 TRP 109 HZ3 TRP 109 9.427 -16.091 -1.961 875 HH2 TRP 109 HH2 TRP 109 7.215 -17.318 -2.237 876 H ILE 110 H ILE 110 6.187 -9.794 -6.142 877 HA ILE 110 HA ILE 110 4.525 -7.809 -4.818 878 HB ILE 110 HB ILE 110 4.913 -8.925 -7.494 879 1HG1 ILE 110 1HG1 ILE 110 3.638 -6.243 -6.810 880 2HG1 ILE 110 2HG1 ILE 110 5.301 -6.525 -6.444 881 1HG2 ILE 110 1HG2 ILE 110 2.674 -8.400 -8.352 882 2HG2 ILE 110 2HG2 ILE 110 2.018 -8.251 -6.680 883 3HG2 ILE 110 3HG2 ILE 110 2.573 -9.798 -7.280 884 1HD1 ILE 110 1HD1 ILE 110 4.823 -7.481 -9.132 885 2HD1 ILE 110 2HD1 ILE 110 5.944 -6.237 -8.582 886 3HD1 ILE 110 3HD1 ILE 110 4.252 -5.810 -9.021 887 H GLU 111 H GLU 111 2.768 -8.198 -3.627 888 HA GLU 111 HA GLU 111 1.465 -10.898 -3.736 889 1HB GLU 111 1HB GLU 111 2.200 -9.056 -1.434 890 2HB GLU 111 2HB GLU 111 0.947 -10.259 -1.227 891 1HG GLU 111 1HG GLU 111 2.455 -12.089 -1.703 892 2HG GLU 111 2HG GLU 111 3.780 -10.996 -2.087 893 H GLY 112 H GLY 112 -0.107 -10.000 -5.183 894 1HA GLY 112 1HA GLY 112 -2.071 -8.855 -5.814 895 2HA GLY 112 2HA GLY 112 -2.430 -8.977 -4.059 896 H ASP 113 H ASP 113 -2.423 -7.124 -2.914 897 HA ASP 113 HA ASP 113 -1.796 -4.594 -4.319 898 1HB ASP 113 1HB ASP 113 -3.230 -4.881 -1.722 899 2HB ASP 113 2HB ASP 113 -3.288 -3.514 -2.813 900 H GLU 114 H GLU 114 0.351 -6.275 -2.891 901 HA GLU 114 HA GLU 114 1.378 -4.069 -1.099 902 1HB GLU 114 1HB GLU 114 1.746 -6.840 -0.192 903 2HB GLU 114 2HB GLU 114 1.891 -5.322 0.721 904 1HG GLU 114 1HG GLU 114 -0.223 -5.377 1.446 905 2HG GLU 114 2HG GLU 114 -0.848 -5.760 -0.144 906 H LEU 115 H LEU 115 3.572 -3.915 -1.070 907 HA LEU 115 HA LEU 115 5.058 -5.628 -2.999 908 1HB LEU 115 1HB LEU 115 5.033 -2.813 -2.054 909 2HB LEU 115 2HB LEU 115 6.659 -3.438 -2.131 910 HG LEU 115 HG LEU 115 5.090 -2.266 -4.137 911 1HD1 LEU 115 1HD1 LEU 115 7.819 -3.222 -3.690 912 2HD1 LEU 115 2HD1 LEU 115 7.229 -1.647 -4.212 913 3HD1 LEU 115 3HD1 LEU 115 7.407 -2.920 -5.417 914 1HD2 LEU 115 1HD2 LEU 115 4.341 -4.656 -4.812 915 2HD2 LEU 115 2HD2 LEU 115 6.042 -5.180 -4.838 916 3HD2 LEU 115 3HD2 LEU 115 5.470 -3.990 -6.013 917 H HIS 116 H HIS 116 6.659 -6.849 -2.103 918 HA HIS 116 HA HIS 116 7.370 -6.401 0.799 919 1HB HIS 116 1HB HIS 116 5.980 -8.528 0.105 920 2HB HIS 116 2HB HIS 116 7.534 -9.128 -0.530 921 HD1 HIS 116 HD1 HIS 116 9.220 -7.578 1.692 922 HD2 HIS 116 HD2 HIS 116 6.184 -10.394 2.445 923 HE1 HIS 116 HE1 HIS 116 9.668 -8.508 4.001 924 HE2 HIS 116 HE2 HIS 116 7.829 -10.210 4.443 925 H LEU 117 H LEU 117 9.105 -5.171 0.435 926 HA LEU 117 HA LEU 117 11.145 -6.192 -1.416 927 1HB LEU 117 1HB LEU 117 10.753 -3.934 -1.853 928 2HB LEU 117 2HB LEU 117 10.402 -3.546 -0.269 929 HG LEU 117 HG LEU 117 12.840 -3.634 0.401 930 1HD1 LEU 117 1HD1 LEU 117 13.441 -3.554 -2.642 931 2HD1 LEU 117 2HD1 LEU 117 13.567 -5.045 -1.704 932 3HD1 LEU 117 3HD1 LEU 117 14.574 -3.619 -1.305 933 1HD2 LEU 117 1HD2 LEU 117 12.106 -1.485 0.166 934 2HD2 LEU 117 2HD2 LEU 117 11.713 -1.608 -1.547 935 3HD2 LEU 117 3HD2 LEU 117 13.396 -1.440 -1.083 936 H GLU 118 H GLU 118 13.071 -6.980 -0.612 937 HA GLU 118 HA GLU 118 13.719 -6.670 2.271 938 1HB GLU 118 1HB GLU 118 14.088 -9.256 0.786 939 2HB GLU 118 2HB GLU 118 14.304 -8.949 2.513 940 1HG GLU 118 1HG GLU 118 11.893 -8.387 2.773 941 2HG GLU 118 2HG GLU 118 11.605 -8.611 1.068 942 H MET 119 H MET 119 15.284 -5.268 1.947 943 HA MET 119 HA MET 119 17.233 -5.735 -0.238 944 1HB MET 119 1HB MET 119 16.100 -3.583 0.019 945 2HB MET 119 2HB MET 119 16.786 -3.318 1.610 946 1HG MET 119 1HG MET 119 18.874 -3.955 -0.326 947 2HG MET 119 2HG MET 119 17.887 -2.645 -0.976 948 1HE MET 119 1HE MET 119 18.023 0.127 1.589 949 2HE MET 119 2HE MET 119 16.858 -1.231 1.829 950 3HE MET 119 3HE MET 119 17.181 -0.623 0.210 951 H ARG 120 H ARG 120 19.473 -6.119 0.070 952 HA ARG 120 HA ARG 120 20.312 -6.360 2.942 953 1HB ARG 120 1HB ARG 120 21.691 -8.332 2.156 954 2HB ARG 120 2HB ARG 120 19.949 -8.533 2.417 955 1HG ARG 120 1HG ARG 120 19.534 -8.296 0.012 956 2HG ARG 120 2HG ARG 120 21.275 -8.145 -0.327 957 1HD ARG 120 1HD ARG 120 21.331 -10.488 1.068 958 2HD ARG 120 2HD ARG 120 19.685 -10.543 0.393 959 HE ARG 120 HE ARG 120 21.933 -9.925 -1.461 960 1HH1 ARG 120 1HH1 ARG 120 19.534 -12.310 -0.298 961 2HH1 ARG 120 2HH1 ARG 120 19.742 -13.317 -1.696 962 1HH2 ARG 120 1HH2 ARG 120 22.159 -11.244 -3.181 963 2HH2 ARG 120 2HH2 ARG 120 21.243 -12.725 -3.353 964 H ALA 121 H ALA 121 22.757 -6.869 2.980 965 HA ALA 121 HA ALA 121 24.498 -6.038 0.974 966 1HB ALA 121 1HB ALA 121 23.132 -3.789 2.172 967 2HB ALA 121 2HB ALA 121 24.398 -3.755 0.882 968 3HB ALA 121 3HB ALA 121 24.839 -3.752 2.640 969 H GLU 122 H GLU 122 26.416 -6.585 1.559 970 HA GLU 122 HA GLU 122 28.143 -7.609 2.858 971 1HB GLU 122 1HB GLU 122 28.059 -5.023 3.351 972 2HB GLU 122 2HB GLU 122 27.586 -5.600 4.957 973 1HG GLU 122 1HG GLU 122 29.973 -7.017 3.851 974 2HG GLU 122 2HG GLU 122 30.179 -5.278 3.999 975 H GLY 123 H GLY 123 25.952 -9.156 3.247 976 1HA GLY 123 1HA GLY 123 25.342 -10.881 4.751 977 2HA GLY 123 2HA GLY 123 26.596 -10.356 5.773 978 H VAL 124 H VAL 124 24.208 -7.923 4.906 979 HA VAL 124 HA VAL 124 22.746 -8.306 7.492 980 HB VAL 124 HB VAL 124 24.337 -5.859 6.615 981 1HG1 VAL 124 1HG1 VAL 124 22.885 -4.317 7.847 982 2HG1 VAL 124 2HG1 VAL 124 21.625 -5.563 8.024 983 3HG1 VAL 124 3HG1 VAL 124 22.030 -4.960 6.437 984 1HG2 VAL 124 1HG2 VAL 124 25.029 -5.837 8.835 985 2HG2 VAL 124 2HG2 VAL 124 24.703 -7.568 8.643 986 3HG2 VAL 124 3HG2 VAL 124 23.530 -6.553 9.464 987 H THR 125 H THR 125 20.767 -8.478 6.997 988 HA THR 125 HA THR 125 19.607 -7.528 4.445 989 HB THR 125 HB THR 125 18.373 -9.201 6.651 990 HG1 THR 125 HG1 THR 125 20.408 -9.763 5.279 991 1HG2 THR 125 1HG2 THR 125 16.571 -8.521 5.317 992 2HG2 THR 125 2HG2 THR 125 17.075 -9.986 4.461 993 3HG2 THR 125 3HG2 THR 125 17.532 -8.412 3.801 994 H CYS 126 H CYS 126 17.627 -6.519 4.453 995 HA CYS 126 HA CYS 126 16.644 -5.068 6.857 996 1HB CYS 126 1HB CYS 126 17.891 -3.245 6.204 997 2HB CYS 126 2HB CYS 126 18.204 -3.924 4.563 998 HG CYS 126 HG CYS 126 15.865 -3.216 3.629 999 H LYS 127 H LYS 127 14.420 -4.353 6.405 1000 HA LYS 127 HA LYS 127 13.179 -5.191 3.777 1001 1HB LYS 127 1HB LYS 127 11.908 -6.189 6.263 1002 2HB LYS 127 2HB LYS 127 11.778 -6.765 4.598 1003 1HG LYS 127 1HG LYS 127 14.123 -7.676 4.770 1004 2HG LYS 127 2HG LYS 127 14.208 -7.094 6.437 1005 1HD LYS 127 1HD LYS 127 12.136 -8.479 6.900 1006 2HD LYS 127 2HD LYS 127 12.184 -9.138 5.276 1007 1HE LYS 127 1HE LYS 127 13.275 -10.638 6.965 1008 2HE LYS 127 2HE LYS 127 14.420 -10.174 5.682 1009 1HZ LYS 127 1HZ LYS 127 15.228 -9.954 8.092 1010 2HZ LYS 127 2HZ LYS 127 14.157 -8.671 8.245 1011 3HZ LYS 127 3HZ LYS 127 15.430 -8.592 7.146 1012 H GLN 128 H GLN 128 11.912 -3.666 3.168 1013 HA GLN 128 HA GLN 128 10.434 -2.021 5.225 1014 1HB GLN 128 1HB GLN 128 11.700 -0.534 4.085 1015 2HB GLN 128 2HB GLN 128 11.729 -1.495 2.577 1016 1HG GLN 128 1HG GLN 128 9.665 -0.795 1.837 1017 2HG GLN 128 2HG GLN 128 9.098 -0.276 3.436 1018 1HE2 GLN 128 1HE2 GLN 128 10.703 0.540 0.514 1019 2HE2 GLN 128 2HE2 GLN 128 11.065 2.226 0.855 1020 H VAL 129 H VAL 129 8.411 -2.518 5.478 1021 HA VAL 129 HA VAL 129 7.056 -4.185 3.465 1022 HB VAL 129 HB VAL 129 5.959 -2.993 5.989 1023 1HG1 VAL 129 1HG1 VAL 129 4.693 -5.252 4.282 1024 2HG1 VAL 129 2HG1 VAL 129 4.269 -3.571 4.023 1025 3HG1 VAL 129 3HG1 VAL 129 3.982 -4.355 5.604 1026 1HG2 VAL 129 1HG2 VAL 129 6.484 -5.195 6.949 1027 2HG2 VAL 129 2HG2 VAL 129 7.890 -4.850 5.935 1028 3HG2 VAL 129 3HG2 VAL 129 6.671 -5.934 5.328 1029 H PHE 130 H PHE 130 6.077 -3.336 1.743 1030 HA PHE 130 HA PHE 130 5.136 -0.488 1.782 1031 1HB PHE 130 1HB PHE 130 6.063 -2.568 -0.237 1032 2HB PHE 130 2HB PHE 130 4.784 -1.472 -0.733 1033 HD1 PHE 130 HD1 PHE 130 7.752 -1.891 -1.691 1034 HD2 PHE 130 HD2 PHE 130 5.830 1.021 0.802 1035 HE1 PHE 130 HE1 PHE 130 9.468 -0.292 -2.302 1036 HE2 PHE 130 HE2 PHE 130 7.547 2.651 0.187 1037 HZ PHE 130 HZ PHE 130 9.396 2.048 -1.364 1038 H LYS 131 H LYS 131 3.013 -0.089 1.751 1039 HA LYS 131 HA LYS 131 1.192 -2.470 1.255 1040 1HB LYS 131 1HB LYS 131 1.192 -0.493 3.363 1041 2HB LYS 131 2HB LYS 131 -0.160 -0.097 2.259 1042 1HG LYS 131 1HG LYS 131 0.219 -2.806 3.593 1043 2HG LYS 131 2HG LYS 131 -1.013 -1.516 3.933 1044 1HD LYS 131 1HD LYS 131 -0.706 -3.042 1.308 1045 2HD LYS 131 2HD LYS 131 -1.958 -3.315 2.544 1046 1HE LYS 131 1HE LYS 131 -2.632 -0.911 2.285 1047 2HE LYS 131 2HE LYS 131 -1.493 -0.701 0.935 1048 1HZ LYS 131 1HZ LYS 131 -3.750 -1.237 0.269 1049 2HZ LYS 131 2HZ LYS 131 -3.666 -2.710 1.085 1050 3HZ LYS 131 3HZ LYS 131 -2.648 -2.427 -0.260 1051 H LYS 132 H LYS 132 -0.069 -2.431 -0.461 1052 HA LYS 132 HA LYS 132 -1.079 -1.548 -2.413 1053 1HB LYS 132 1HB LYS 132 -1.830 0.270 -0.821 1054 2HB LYS 132 2HB LYS 132 -0.490 1.270 -1.472 1055 1HG LYS 132 1HG LYS 132 -2.609 1.647 -2.558 1056 2HG LYS 132 2HG LYS 132 -1.338 1.145 -3.721 1057 1HD LYS 132 1HD LYS 132 -2.394 -1.025 -3.987 1058 2HD LYS 132 2HD LYS 132 -3.194 -0.854 -2.404 1059 1HE LYS 132 1HE LYS 132 -4.646 0.948 -3.489 1060 2HE LYS 132 2HE LYS 132 -3.936 0.483 -5.056 1061 1HZ LYS 132 1HZ LYS 132 -5.403 -1.364 -3.306 1062 2HZ LYS 132 2HZ LYS 132 -4.782 -1.683 -4.870 1063 3HZ LYS 132 3HZ LYS 132 -5.987 -0.548 -4.689 1064 H VAL 133 H VAL 133 -0.521 -0.540 -4.330 1065 HA VAL 133 HA VAL 133 1.554 0.671 -5.450 1066 HB VAL 133 HB VAL 133 3.176 -0.200 -4.087 1067 1HG1 VAL 133 1HG1 VAL 133 1.761 -2.740 -4.723 1068 2HG1 VAL 133 2HG1 VAL 133 2.952 -2.482 -3.412 1069 3HG1 VAL 133 3HG1 VAL 133 3.479 -2.871 -5.071 1070 1HG2 VAL 133 1HG2 VAL 133 3.424 0.251 -6.622 1071 2HG2 VAL 133 2HG2 VAL 133 3.661 -1.523 -6.739 1072 3HG2 VAL 133 3HG2 VAL 133 4.789 -0.518 -5.781 1073 H HIS 134 H HIS 134 -0.803 0.178 -6.184 1074 HA HIS 134 HA HIS 134 -0.924 -0.363 -8.758 1075 1HB HIS 134 1HB HIS 134 -0.044 -2.666 -8.579 1076 2HB HIS 134 2HB HIS 134 -1.341 -3.052 -7.387 1077 HD1 HIS 134 HD1 HIS 134 -0.483 -3.316 -10.844 1078 HD2 HIS 134 HD2 HIS 134 -4.025 -2.617 -8.628 1079 HE1 HIS 134 HE1 HIS 134 -2.474 -3.875 -12.370 1080 HE2 HIS 134 HE2 HIS 134 -4.604 -3.473 -11.042 Start of MODEL 22 1 1H PRO 1 1H PRO 1 -0.726 -11.280 -15.855 2 2H PRO 1 2H PRO 1 -2.285 -11.427 -16.394 3 HA PRO 1 HA PRO 1 -2.384 -9.610 -15.109 4 1HB PRO 1 1HB PRO 1 -3.399 -10.837 -12.840 5 2HB PRO 1 2HB PRO 1 -4.197 -10.807 -14.431 6 1HG PRO 1 1HG PRO 1 -2.918 -13.101 -13.102 7 2HG PRO 1 2HG PRO 1 -4.132 -13.030 -14.381 8 1HD PRO 1 1HD PRO 1 -1.210 -13.399 -14.649 9 2HD PRO 1 2HD PRO 1 -2.411 -13.473 -15.958 10 H VAL 2 H VAL 2 -1.130 -8.308 -14.037 11 HA VAL 2 HA VAL 2 -0.121 -8.199 -11.516 12 HB VAL 2 HB VAL 2 1.536 -10.134 -12.983 13 1HG1 VAL 2 1HG1 VAL 2 3.140 -8.359 -13.332 14 2HG1 VAL 2 2HG1 VAL 2 3.661 -9.119 -11.805 15 3HG1 VAL 2 3HG1 VAL 2 2.794 -7.589 -11.786 16 1HG2 VAL 2 1HG2 VAL 2 0.728 -10.851 -10.818 17 2HG2 VAL 2 2HG2 VAL 2 1.038 -9.262 -10.090 18 3HG2 VAL 2 3HG2 VAL 2 2.380 -10.332 -10.506 19 H ASP 3 H ASP 3 0.541 -6.152 -11.401 20 HA ASP 3 HA ASP 3 2.225 -4.936 -13.491 21 1HB ASP 3 1HB ASP 3 -0.228 -4.801 -14.172 22 2HB ASP 3 2HB ASP 3 -0.357 -3.505 -12.916 23 H PHE 4 H PHE 4 3.658 -3.859 -12.558 24 HA PHE 4 HA PHE 4 3.643 -3.093 -9.730 25 1HB PHE 4 1HB PHE 4 5.650 -2.520 -11.856 26 2HB PHE 4 2HB PHE 4 5.852 -2.356 -10.096 27 HD1 PHE 4 HD1 PHE 4 6.120 -4.290 -8.715 28 HD2 PHE 4 HD2 PHE 4 5.495 -4.713 -12.898 29 HE1 PHE 4 HE1 PHE 4 6.843 -6.710 -8.615 30 HE2 PHE 4 HE2 PHE 4 6.214 -7.115 -12.788 31 HZ PHE 4 HZ PHE 4 6.876 -8.096 -10.672 32 H ASN 5 H ASN 5 3.729 -1.289 -12.780 33 HA ASN 5 HA ASN 5 4.193 1.371 -12.164 34 1HB ASN 5 1HB ASN 5 1.877 0.759 -13.890 35 2HB ASN 5 2HB ASN 5 3.147 2.024 -14.002 36 1HD2 ASN 5 1HD2 ASN 5 2.167 -0.520 -15.730 37 2HD2 ASN 5 2HD2 ASN 5 3.713 -1.110 -16.274 38 H GLY 6 H GLY 6 3.330 2.809 -10.815 39 1HA GLY 6 1HA GLY 6 0.703 3.709 -10.630 40 2HA GLY 6 2HA GLY 6 0.755 2.391 -9.506 41 H TYR 7 H TYR 7 1.579 2.598 -7.537 42 HA TYR 7 HA TYR 7 3.399 4.670 -6.714 43 1HB TYR 7 1HB TYR 7 0.604 5.503 -6.964 44 2HB TYR 7 2HB TYR 7 0.935 5.215 -5.251 45 HD1 TYR 7 HD1 TYR 7 0.976 7.634 -7.904 46 HD2 TYR 7 HD2 TYR 7 3.180 6.378 -4.406 47 HE1 TYR 7 HE1 TYR 7 1.983 9.811 -7.759 48 HE2 TYR 7 HE2 TYR 7 4.211 8.644 -4.246 49 HH TYR 7 HH TYR 7 4.673 10.527 -5.895 50 H TRP 8 H TRP 8 4.215 3.716 -4.937 51 HA TRP 8 HA TRP 8 2.478 1.733 -3.471 52 1HB TRP 8 1HB TRP 8 5.465 1.470 -3.996 53 2HB TRP 8 2HB TRP 8 4.510 0.394 -2.996 54 HD1 TRP 8 HD1 TRP 8 4.999 1.219 -6.753 55 HE1 TRP 8 HE1 TRP 8 4.109 -0.714 -8.185 56 HE3 TRP 8 HE3 TRP 8 2.902 -1.449 -3.009 57 HZ2 TRP 8 HZ2 TRP 8 2.627 -3.195 -7.707 58 HZ3 TRP 8 HZ3 TRP 8 1.728 -3.666 -3.539 59 HH2 TRP 8 HH2 TRP 8 1.653 -4.443 -5.888 60 H LYS 9 H LYS 9 2.155 2.534 -1.467 61 HA LYS 9 HA LYS 9 4.196 4.286 -0.209 62 1HB LYS 9 1HB LYS 9 2.552 4.739 1.559 63 2HB LYS 9 2HB LYS 9 1.708 4.836 0.034 64 1HG LYS 9 1HG LYS 9 0.244 3.251 0.772 65 2HG LYS 9 2HG LYS 9 1.606 2.121 0.942 66 1HD LYS 9 1HD LYS 9 1.333 2.209 3.199 67 2HD LYS 9 2HD LYS 9 1.838 3.892 3.142 68 1HE LYS 9 1HE LYS 9 -0.363 4.662 3.288 69 2HE LYS 9 2HE LYS 9 -1.034 3.234 2.430 70 1HZ LYS 9 1HZ LYS 9 0.010 3.302 5.250 71 2HZ LYS 9 2HZ LYS 9 -0.580 1.916 4.512 72 3HZ LYS 9 3HZ LYS 9 -1.617 3.228 4.784 73 H MET 10 H MET 10 4.455 3.786 2.321 74 HA MET 10 HA MET 10 5.231 0.874 2.422 75 1HB MET 10 1HB MET 10 7.068 1.227 3.321 76 2HB MET 10 2HB MET 10 6.980 2.642 2.254 77 1HG MET 10 1HG MET 10 5.909 3.284 4.956 78 2HG MET 10 2HG MET 10 7.494 2.601 5.083 79 1HE MET 10 1HE MET 10 5.224 5.088 4.579 80 2HE MET 10 2HE MET 10 5.516 5.646 2.900 81 3HE MET 10 3HE MET 10 6.097 6.617 4.266 82 H LEU 11 H LEU 11 5.065 -0.298 4.170 83 HA LEU 11 HA LEU 11 3.278 0.766 6.344 84 1HB LEU 11 1HB LEU 11 2.191 -0.973 4.980 85 2HB LEU 11 2HB LEU 11 3.485 -2.049 5.130 86 HG LEU 11 HG LEU 11 2.373 -1.242 7.767 87 1HD1 LEU 11 1HD1 LEU 11 0.311 -1.131 6.324 88 2HD1 LEU 11 2HD1 LEU 11 0.257 -2.494 7.441 89 3HD1 LEU 11 3HD1 LEU 11 0.700 -2.734 5.714 90 1HD2 LEU 11 1HD2 LEU 11 3.220 -3.769 6.211 91 2HD2 LEU 11 2HD2 LEU 11 2.105 -3.948 7.558 92 3HD2 LEU 11 3HD2 LEU 11 3.713 -3.248 7.856 93 H SER 12 H SER 12 6.394 0.048 5.645 94 HA SER 12 HA SER 12 7.415 0.109 8.281 95 1HB SER 12 1HB SER 12 6.497 -1.924 8.828 96 2HB SER 12 2HB SER 12 6.925 -2.647 7.283 97 HG SER 12 HG SER 12 9.164 -2.475 8.010 98 H ASN 13 H ASN 13 9.545 -0.143 8.550 99 HA ASN 13 HA ASN 13 11.373 -0.676 6.275 100 1HB ASN 13 1HB ASN 13 10.622 1.867 6.677 101 2HB ASN 13 2HB ASN 13 11.822 1.768 8.021 102 1HD2 ASN 13 1HD2 ASN 13 11.886 3.407 5.475 103 2HD2 ASN 13 2HD2 ASN 13 13.382 2.880 4.728 104 H GLU 14 H GLU 14 12.881 -2.103 7.248 105 HA GLU 14 HA GLU 14 13.465 -1.757 10.173 106 1HB GLU 14 1HB GLU 14 11.820 -3.543 9.644 107 2HB GLU 14 2HB GLU 14 13.126 -4.346 8.759 108 1HG GLU 14 1HG GLU 14 14.575 -4.351 10.785 109 2HG GLU 14 2HG GLU 14 13.237 -3.601 11.689 110 H ASN 15 H ASN 15 15.480 -2.118 10.790 111 HA ASN 15 HA ASN 15 17.775 -2.580 10.731 112 1HB ASN 15 1HB ASN 15 16.507 -4.588 9.147 113 2HB ASN 15 2HB ASN 15 18.046 -4.184 8.400 114 1HD2 ASN 15 1HD2 ASN 15 20.014 -4.850 9.341 115 2HD2 ASN 15 2HD2 ASN 15 20.096 -5.609 10.874 116 H PHE 16 H PHE 16 16.521 -0.299 9.130 117 HA PHE 16 HA PHE 16 18.048 -0.095 6.661 118 1HB PHE 16 1HB PHE 16 17.150 2.081 6.536 119 2HB PHE 16 2HB PHE 16 15.864 0.892 6.825 120 HD1 PHE 16 HD1 PHE 16 18.174 3.172 8.873 121 HD2 PHE 16 HD2 PHE 16 14.245 1.581 8.313 122 HE1 PHE 16 HE1 PHE 16 17.365 4.514 10.747 123 HE2 PHE 16 HE2 PHE 16 13.391 2.966 10.238 124 HZ PHE 16 HZ PHE 16 14.992 4.409 11.418 125 H GLU 17 H GLU 17 18.643 0.818 10.018 126 HA GLU 17 HA GLU 17 20.643 2.830 9.522 127 1HB GLU 17 1HB GLU 17 19.730 1.317 11.901 128 2HB GLU 17 2HB GLU 17 21.261 2.174 11.987 129 1HG GLU 17 1HG GLU 17 20.329 4.238 11.877 130 2HG GLU 17 2HG GLU 17 19.118 3.739 10.717 131 H GLU 18 H GLU 18 20.611 -0.668 9.913 132 HA GLU 18 HA GLU 18 23.527 -0.953 10.199 133 1HB GLU 18 1HB GLU 18 21.134 -2.650 10.157 134 2HB GLU 18 2HB GLU 18 22.571 -3.357 9.378 135 1HG GLU 18 1HG GLU 18 23.008 -4.027 11.534 136 2HG GLU 18 2HG GLU 18 23.886 -2.537 11.519 137 H TYR 19 H TYR 19 21.056 -0.861 7.686 138 HA TYR 19 HA TYR 19 22.512 -2.038 5.568 139 1HB TYR 19 1HB TYR 19 20.444 -1.955 4.858 140 2HB TYR 19 2HB TYR 19 20.011 -0.594 5.911 141 HD1 TYR 19 HD1 TYR 19 21.133 -1.604 2.485 142 HD2 TYR 19 HD2 TYR 19 20.287 1.790 5.022 143 HE1 TYR 19 HE1 TYR 19 21.117 -0.131 0.516 144 HE2 TYR 19 HE2 TYR 19 20.258 3.232 3.040 145 HH TYR 19 HH TYR 19 21.560 2.428 0.114 146 H LEU 20 H LEU 20 22.296 1.325 6.892 147 HA LEU 20 HA LEU 20 23.716 2.567 4.666 148 1HB LEU 20 1HB LEU 20 23.560 3.705 7.407 149 2HB LEU 20 2HB LEU 20 23.855 4.525 5.923 150 HG LEU 20 HG LEU 20 21.232 3.118 6.290 151 1HD1 LEU 20 1HD1 LEU 20 21.618 5.989 7.217 152 2HD1 LEU 20 2HD1 LEU 20 21.788 4.646 8.363 153 3HD1 LEU 20 3HD1 LEU 20 20.238 4.918 7.513 154 1HD2 LEU 20 1HD2 LEU 20 20.342 4.633 4.734 155 2HD2 LEU 20 2HD2 LEU 20 21.884 4.172 4.041 156 3HD2 LEU 20 3HD2 LEU 20 21.725 5.762 4.838 157 H ARG 21 H ARG 21 24.471 1.169 7.806 158 HA ARG 21 HA ARG 21 27.193 2.101 8.024 159 1HB ARG 21 1HB ARG 21 25.952 1.495 9.970 160 2HB ARG 21 2HB ARG 21 25.691 -0.173 9.405 161 1HG ARG 21 1HG ARG 21 28.553 0.399 9.527 162 2HG ARG 21 2HG ARG 21 27.819 0.802 11.079 163 1HD ARG 21 1HD ARG 21 27.114 -1.331 11.527 164 2HD ARG 21 2HD ARG 21 26.813 -1.744 9.855 165 HE ARG 21 HE ARG 21 29.632 -1.387 10.723 166 1HH1 ARG 21 1HH1 ARG 21 26.973 -3.732 9.962 167 2HH1 ARG 21 2HH1 ARG 21 28.123 -5.013 9.860 168 1HH2 ARG 21 1HH2 ARG 21 31.014 -3.251 10.499 169 2HH2 ARG 21 2HH2 ARG 21 30.332 -4.785 10.140 170 H ALA 22 H ALA 22 25.454 -0.475 6.464 171 HA ALA 22 HA ALA 22 27.582 -2.379 6.191 172 1HB ALA 22 1HB ALA 22 25.069 -2.711 6.035 173 2HB ALA 22 2HB ALA 22 26.056 -3.621 4.841 174 3HB ALA 22 3HB ALA 22 25.193 -2.114 4.375 175 H LEU 23 H LEU 23 26.410 0.349 4.144 176 HA LEU 23 HA LEU 23 28.670 -0.225 2.205 177 1HB LEU 23 1HB LEU 23 27.234 1.231 0.644 178 2HB LEU 23 2HB LEU 23 27.142 -0.461 0.740 179 HG LEU 23 HG LEU 23 25.055 -0.205 2.242 180 1HD1 LEU 23 1HD1 LEU 23 24.239 2.364 1.920 181 2HD1 LEU 23 2HD1 LEU 23 25.992 2.627 2.113 182 3HD1 LEU 23 3HD1 LEU 23 25.068 1.821 3.365 183 1HD2 LEU 23 1HD2 LEU 23 23.605 0.244 0.409 184 2HD2 LEU 23 2HD2 LEU 23 25.108 -0.298 -0.383 185 3HD2 LEU 23 3HD2 LEU 23 24.652 1.440 -0.321 186 H ASP 24 H ASP 24 28.011 1.701 4.727 187 HA ASP 24 HA ASP 24 28.718 3.744 5.408 188 1HB ASP 24 1HB ASP 24 30.814 2.578 4.126 189 2HB ASP 24 2HB ASP 24 30.729 4.130 3.291 190 H VAL 25 H VAL 25 26.525 4.692 4.642 191 HA VAL 25 HA VAL 25 27.012 6.567 2.326 192 HB VAL 25 HB VAL 25 25.449 4.963 1.580 193 1HG1 VAL 25 1HG1 VAL 25 23.879 5.565 4.152 194 2HG1 VAL 25 2HG1 VAL 25 24.770 4.051 3.760 195 3HG1 VAL 25 3HG1 VAL 25 23.336 4.507 2.818 196 1HG2 VAL 25 1HG2 VAL 25 23.866 6.500 0.789 197 2HG2 VAL 25 2HG2 VAL 25 24.956 7.642 1.562 198 3HG2 VAL 25 3HG2 VAL 25 23.501 7.155 2.427 199 H ASN 26 H ASN 26 28.055 7.279 4.518 200 HA ASN 26 HA ASN 26 28.276 8.994 5.938 201 1HB ASN 26 1HB ASN 26 26.189 10.682 5.556 202 2HB ASN 26 2HB ASN 26 27.876 10.811 5.023 203 1HD2 ASN 26 1HD2 ASN 26 28.325 9.105 3.074 204 2HD2 ASN 26 2HD2 ASN 26 27.218 9.363 1.725 205 H VAL 27 H VAL 27 27.843 9.731 7.872 206 HA VAL 27 HA VAL 27 25.930 8.337 9.576 207 HB VAL 27 HB VAL 27 26.792 9.682 11.382 208 1HG1 VAL 27 1HG1 VAL 27 28.944 8.406 9.554 209 2HG1 VAL 27 2HG1 VAL 27 27.999 7.516 10.744 210 3HG1 VAL 27 3HG1 VAL 27 29.191 8.761 11.246 211 1HG2 VAL 27 1HG2 VAL 27 28.048 11.258 9.140 212 2HG2 VAL 27 2HG2 VAL 27 29.056 10.924 10.574 213 3HG2 VAL 27 3HG2 VAL 27 27.505 11.768 10.748 214 H ALA 28 H ALA 28 26.093 11.575 8.074 215 HA ALA 28 HA ALA 28 24.177 12.892 9.719 216 1HB ALA 28 1HB ALA 28 23.947 14.368 7.605 217 2HB ALA 28 2HB ALA 28 25.381 13.467 7.051 218 3HB ALA 28 3HB ALA 28 25.444 14.365 8.565 219 H LEU 29 H LEU 29 23.957 10.706 6.900 220 HA LEU 29 HA LEU 29 21.264 11.387 6.187 221 1HB LEU 29 1HB LEU 29 23.120 10.350 4.750 222 2HB LEU 29 2HB LEU 29 22.752 8.851 5.551 223 HG LEU 29 HG LEU 29 20.262 9.325 4.779 224 1HD1 LEU 29 1HD1 LEU 29 20.067 10.576 2.666 225 2HD1 LEU 29 2HD1 LEU 29 21.825 10.873 2.647 226 3HD1 LEU 29 3HD1 LEU 29 20.849 11.608 3.896 227 1HD2 LEU 29 1HD2 LEU 29 22.394 7.703 3.922 228 2HD2 LEU 29 2HD2 LEU 29 21.961 8.532 2.418 229 3HD2 LEU 29 3HD2 LEU 29 20.761 7.562 3.311 230 H ARG 30 H ARG 30 22.823 8.896 8.274 231 HA ARG 30 HA ARG 30 20.646 7.111 8.483 232 1HB ARG 30 1HB ARG 30 22.701 6.274 9.173 233 2HB ARG 30 2HB ARG 30 23.128 7.809 9.984 234 1HG ARG 30 1HG ARG 30 21.707 7.355 11.856 235 2HG ARG 30 2HG ARG 30 21.141 5.830 11.130 236 1HD ARG 30 1HD ARG 30 22.870 5.052 12.503 237 2HD ARG 30 2HD ARG 30 23.664 5.215 10.966 238 HE ARG 30 HE ARG 30 24.972 6.980 11.912 239 1HH1 ARG 30 1HH1 ARG 30 22.061 6.347 13.931 240 2HH1 ARG 30 2HH1 ARG 30 22.585 7.434 15.164 241 1HH2 ARG 30 1HH2 ARG 30 25.582 8.353 13.582 242 2HH2 ARG 30 2HH2 ARG 30 24.515 8.511 14.978 243 H LYS 31 H LYS 31 21.512 10.033 10.170 244 HA LYS 31 HA LYS 31 19.711 9.853 12.453 245 1HB LYS 31 1HB LYS 31 21.908 11.286 11.949 246 2HB LYS 31 2HB LYS 31 20.771 12.344 11.134 247 1HG LYS 31 1HG LYS 31 19.354 12.416 13.266 248 2HG LYS 31 2HG LYS 31 20.523 11.349 14.029 249 1HD LYS 31 1HD LYS 31 21.572 13.233 14.757 250 2HD LYS 31 2HD LYS 31 22.140 13.472 13.076 251 1HE LYS 31 1HE LYS 31 19.404 14.459 13.307 252 2HE LYS 31 2HE LYS 31 20.396 15.223 14.582 253 1HZ LYS 31 1HZ LYS 31 21.894 15.126 12.193 254 2HZ LYS 31 2HZ LYS 31 21.275 16.492 12.984 255 3HZ LYS 31 3HZ LYS 31 20.390 15.722 11.805 256 H ILE 32 H ILE 32 19.647 11.438 9.272 257 HA ILE 32 HA ILE 32 17.142 12.814 9.671 258 HB ILE 32 HB ILE 32 18.897 12.240 7.282 259 1HG1 ILE 32 1HG1 ILE 32 19.435 13.948 9.185 260 2HG1 ILE 32 2HG1 ILE 32 19.600 14.439 7.556 261 1HG2 ILE 32 1HG2 ILE 32 17.190 14.180 6.272 262 2HG2 ILE 32 2HG2 ILE 32 16.097 13.377 7.425 263 3HG2 ILE 32 3HG2 ILE 32 16.843 12.465 6.084 264 1HD1 ILE 32 1HD1 ILE 32 17.056 15.045 9.177 265 2HD1 ILE 32 2HD1 ILE 32 17.485 15.715 7.622 266 3HD1 ILE 32 3HD1 ILE 32 18.422 16.153 9.088 267 H ALA 33 H ALA 33 18.147 9.913 7.717 268 HA ALA 33 HA ALA 33 15.655 9.279 6.581 269 1HB ALA 33 1HB ALA 33 16.684 7.621 5.632 270 2HB ALA 33 2HB ALA 33 17.234 6.891 7.166 271 3HB ALA 33 3HB ALA 33 18.186 8.224 6.390 272 H ASN 34 H ASN 34 16.994 8.223 9.825 273 HA ASN 34 HA ASN 34 15.143 6.240 10.414 274 1HB ASN 34 1HB ASN 34 16.037 6.113 12.332 275 2HB ASN 34 2HB ASN 34 17.241 7.241 11.632 276 1HD2 ASN 34 1HD2 ASN 34 17.621 9.089 12.896 277 2HD2 ASN 34 2HD2 ASN 34 16.605 9.739 14.122 278 H LEU 35 H LEU 35 14.600 9.782 10.398 279 HA LEU 35 HA LEU 35 11.874 9.264 11.609 280 1HB LEU 35 1HB LEU 35 11.720 11.468 12.126 281 2HB LEU 35 2HB LEU 35 13.246 10.895 12.781 282 HG LEU 35 HG LEU 35 13.709 11.950 10.092 283 1HD1 LEU 35 1HD1 LEU 35 12.306 13.809 12.086 284 2HD1 LEU 35 2HD1 LEU 35 11.604 13.284 10.551 285 3HD1 LEU 35 3HD1 LEU 35 13.040 14.335 10.563 286 1HD2 LEU 35 1HD2 LEU 35 15.202 11.734 12.296 287 2HD2 LEU 35 2HD2 LEU 35 14.538 13.338 12.675 288 3HD2 LEU 35 3HD2 LEU 35 15.495 13.107 11.191 289 H LEU 36 H LEU 36 12.952 8.805 8.796 290 HA LEU 36 HA LEU 36 11.041 10.498 7.177 291 1HB LEU 36 1HB LEU 36 13.593 10.709 6.819 292 2HB LEU 36 2HB LEU 36 13.597 9.137 6.257 293 HG LEU 36 HG LEU 36 11.617 10.862 4.847 294 1HD1 LEU 36 1HD1 LEU 36 13.238 12.586 5.248 295 2HD1 LEU 36 2HD1 LEU 36 13.595 11.987 3.588 296 3HD1 LEU 36 3HD1 LEU 36 14.590 11.495 5.001 297 1HD2 LEU 36 1HD2 LEU 36 13.652 8.702 4.340 298 2HD2 LEU 36 2HD2 LEU 36 13.492 9.868 3.032 299 3HD2 LEU 36 3HD2 LEU 36 12.067 8.914 3.544 300 H LYS 37 H LYS 37 9.599 9.338 6.126 301 HA LYS 37 HA LYS 37 9.846 6.360 5.799 302 1HB LYS 37 1HB LYS 37 7.211 7.836 5.942 303 2HB LYS 37 2HB LYS 37 7.559 6.142 6.239 304 1HG LYS 37 1HG LYS 37 9.003 7.812 8.203 305 2HG LYS 37 2HG LYS 37 7.265 8.150 8.190 306 1HD LYS 37 1HD LYS 37 6.945 5.558 8.372 307 2HD LYS 37 2HD LYS 37 8.677 5.498 8.731 308 1HE LYS 37 1HE LYS 37 7.595 5.653 10.852 309 2HE LYS 37 2HE LYS 37 8.287 7.297 10.515 310 1HZ LYS 37 1HZ LYS 37 5.615 7.046 9.506 311 2HZ LYS 37 2HZ LYS 37 6.273 8.142 10.607 312 3HZ LYS 37 3HZ LYS 37 5.717 6.653 11.162 313 HA PRO 38 HA PRO 38 10.044 8.222 1.596 314 1HB PRO 38 1HB PRO 38 10.585 5.355 0.876 315 2HB PRO 38 2HB PRO 38 11.524 6.824 0.572 316 1HG PRO 38 1HG PRO 38 12.417 5.090 2.397 317 2HG PRO 38 2HG PRO 38 12.540 6.848 2.713 318 1HD PRO 38 1HD PRO 38 10.405 4.891 3.653 319 2HD PRO 38 2HD PRO 38 11.309 6.102 4.596 320 H ASP 39 H ASP 39 9.505 6.247 -0.567 321 HA ASP 39 HA ASP 39 6.933 5.102 -0.457 322 1HB ASP 39 1HB ASP 39 7.084 8.017 -0.876 323 2HB ASP 39 2HB ASP 39 6.345 7.206 -2.275 324 H LYS 40 H LYS 40 7.442 3.530 -2.007 325 HA LYS 40 HA LYS 40 9.355 4.168 -4.090 326 1HB LYS 40 1HB LYS 40 8.049 1.711 -3.035 327 2HB LYS 40 2HB LYS 40 8.342 1.768 -4.800 328 1HG LYS 40 1HG LYS 40 10.531 2.416 -2.802 329 2HG LYS 40 2HG LYS 40 10.161 0.729 -3.189 330 1HD LYS 40 1HD LYS 40 10.343 1.528 -5.687 331 2HD LYS 40 2HD LYS 40 11.123 2.960 -5.038 332 1HE LYS 40 1HE LYS 40 13.087 1.759 -5.203 333 2HE LYS 40 2HE LYS 40 12.582 0.919 -3.744 334 1HZ LYS 40 1HZ LYS 40 12.044 -0.895 -4.848 335 2HZ LYS 40 2HZ LYS 40 13.173 -0.300 -5.994 336 3HZ LYS 40 3HZ LYS 40 11.518 -0.144 -6.234 337 H GLU 41 H GLU 41 8.829 3.383 -6.418 338 HA GLU 41 HA GLU 41 6.041 3.573 -7.239 339 1HB GLU 41 1HB GLU 41 7.394 6.012 -6.895 340 2HB GLU 41 2HB GLU 41 7.655 5.674 -8.614 341 1HG GLU 41 1HG GLU 41 4.901 5.087 -7.985 342 2HG GLU 41 2HG GLU 41 5.270 6.726 -7.439 343 H ILE 42 H ILE 42 5.933 2.928 -9.449 344 HA ILE 42 HA ILE 42 8.506 2.163 -10.784 345 HB ILE 42 HB ILE 42 6.028 0.424 -10.782 346 1HG1 ILE 42 1HG1 ILE 42 6.898 0.786 -8.412 347 2HG1 ILE 42 2HG1 ILE 42 6.778 -0.857 -8.970 348 1HG2 ILE 42 1HG2 ILE 42 7.512 -0.200 -12.619 349 2HG2 ILE 42 2HG2 ILE 42 7.946 -1.285 -11.317 350 3HG2 ILE 42 3HG2 ILE 42 8.974 0.112 -11.625 351 1HD1 ILE 42 1HD1 ILE 42 9.089 -1.179 -9.128 352 2HD1 ILE 42 2HD1 ILE 42 8.878 -0.191 -7.673 353 3HD1 ILE 42 3HD1 ILE 42 9.484 0.559 -9.175 354 H VAL 43 H VAL 43 8.395 1.960 -13.057 355 HA VAL 43 HA VAL 43 5.911 2.759 -14.411 356 HB VAL 43 HB VAL 43 8.162 4.099 -15.721 357 1HG1 VAL 43 1HG1 VAL 43 6.664 6.160 -15.423 358 2HG1 VAL 43 2HG1 VAL 43 5.508 5.111 -14.540 359 3HG1 VAL 43 3HG1 VAL 43 5.895 4.801 -16.237 360 1HG2 VAL 43 1HG2 VAL 43 9.098 4.186 -13.432 361 2HG2 VAL 43 2HG2 VAL 43 7.642 5.012 -12.830 362 3HG2 VAL 43 3HG2 VAL 43 8.673 5.814 -14.039 363 H GLN 44 H GLN 44 5.747 1.529 -16.204 364 HA GLN 44 HA GLN 44 8.156 -0.047 -17.065 365 1HB GLN 44 1HB GLN 44 6.106 -1.213 -16.083 366 2HB GLN 44 2HB GLN 44 5.185 -0.688 -17.510 367 1HG GLN 44 1HG GLN 44 7.421 -1.752 -18.647 368 2HG GLN 44 2HG GLN 44 7.204 -2.779 -17.208 369 1HE2 GLN 44 1HE2 GLN 44 4.440 -2.972 -17.067 370 2HE2 GLN 44 2HE2 GLN 44 3.744 -3.715 -18.511 371 H ASP 45 H ASP 45 9.028 0.468 -19.013 372 HA ASP 45 HA ASP 45 7.370 1.022 -21.305 373 1HB ASP 45 1HB ASP 45 7.872 3.173 -19.529 374 2HB ASP 45 2HB ASP 45 9.217 3.324 -20.625 375 H GLY 46 H GLY 46 8.623 0.817 -23.189 376 1HA GLY 46 1HA GLY 46 10.333 0.249 -24.519 377 2HA GLY 46 2HA GLY 46 11.521 0.799 -23.232 378 H ASP 47 H ASP 47 12.562 -0.718 -22.211 379 HA ASP 47 HA ASP 47 11.758 -3.551 -22.763 380 1HB ASP 47 1HB ASP 47 14.463 -2.446 -22.131 381 2HB ASP 47 2HB ASP 47 14.047 -4.161 -21.798 382 H HIS 48 H HIS 48 10.469 -1.722 -20.996 383 HA HIS 48 HA HIS 48 9.198 -1.846 -19.202 384 1HB HIS 48 1HB HIS 48 10.420 -4.362 -18.114 385 2HB HIS 48 2HB HIS 48 8.721 -3.764 -18.122 386 HD1 HIS 48 HD1 HIS 48 7.237 -4.180 -20.207 387 HD2 HIS 48 HD2 HIS 48 11.084 -5.721 -20.476 388 HE1 HIS 48 HE1 HIS 48 7.275 -5.725 -22.233 389 HE2 HIS 48 HE2 HIS 48 9.606 -6.665 -22.436 390 H MET 49 H MET 49 9.660 -2.832 -16.697 391 HA MET 49 HA MET 49 10.004 -1.406 -14.910 392 1HB MET 49 1HB MET 49 11.155 -3.818 -15.306 393 2HB MET 49 2HB MET 49 12.538 -2.863 -14.800 394 1HG MET 49 1HG MET 49 11.566 -2.123 -12.834 395 2HG MET 49 2HG MET 49 9.926 -2.521 -13.311 396 1HE MET 49 1HE MET 49 8.979 -5.656 -12.673 397 2HE MET 49 2HE MET 49 10.057 -6.150 -14.044 398 3HE MET 49 3HE MET 49 9.203 -4.607 -14.064 399 H ILE 50 H ILE 50 10.506 0.426 -14.308 400 HA ILE 50 HA ILE 50 13.194 1.546 -14.567 401 HB ILE 50 HB ILE 50 10.645 3.168 -15.186 402 1HG1 ILE 50 1HG1 ILE 50 12.710 2.012 -17.065 403 2HG1 ILE 50 2HG1 ILE 50 10.962 1.712 -17.104 404 1HG2 ILE 50 1HG2 ILE 50 13.714 3.771 -15.486 405 2HG2 ILE 50 2HG2 ILE 50 12.642 4.369 -14.180 406 3HG2 ILE 50 3HG2 ILE 50 12.449 4.934 -15.850 407 1HD1 ILE 50 1HD1 ILE 50 12.353 4.362 -17.717 408 2HD1 ILE 50 2HD1 ILE 50 10.562 4.177 -17.696 409 3HD1 ILE 50 3HD1 ILE 50 11.562 3.320 -18.886 410 H ILE 51 H ILE 51 13.521 1.629 -12.346 411 HA ILE 51 HA ILE 51 11.227 2.042 -10.506 412 HB ILE 51 HB ILE 51 13.995 0.897 -10.368 413 1HG1 ILE 51 1HG1 ILE 51 12.814 -0.908 -9.288 414 2HG1 ILE 51 2HG1 ILE 51 11.396 0.067 -9.049 415 1HG2 ILE 51 1HG2 ILE 51 13.478 1.003 -7.674 416 2HG2 ILE 51 2HG2 ILE 51 12.542 2.440 -8.126 417 3HG2 ILE 51 3HG2 ILE 51 14.288 2.360 -8.465 418 1HD1 ILE 51 1HD1 ILE 51 12.425 -0.669 -11.866 419 2HD1 ILE 51 2HD1 ILE 51 10.926 0.192 -11.523 420 3HD1 ILE 51 3HD1 ILE 51 11.120 -1.485 -11.018 421 H ARG 52 H ARG 52 10.875 3.771 -9.494 422 HA ARG 52 HA ARG 52 12.879 5.981 -9.337 423 1HB ARG 52 1HB ARG 52 10.046 6.710 -8.975 424 2HB ARG 52 2HB ARG 52 11.342 7.497 -9.865 425 1HG ARG 52 1HG ARG 52 11.103 5.961 -11.736 426 2HG ARG 52 2HG ARG 52 9.770 5.101 -10.949 427 1HD ARG 52 1HD ARG 52 9.784 7.689 -12.426 428 2HD ARG 52 2HD ARG 52 8.424 6.599 -12.017 429 HE ARG 52 HE ARG 52 8.262 7.662 -9.852 430 1HH1 ARG 52 1HH1 ARG 52 10.110 9.548 -12.203 431 2HH1 ARG 52 2HH1 ARG 52 9.828 11.064 -11.429 432 1HH2 ARG 52 1HH2 ARG 52 7.908 9.630 -8.840 433 2HH2 ARG 52 2HH2 ARG 52 8.592 11.082 -9.513 434 H THR 53 H THR 53 13.155 6.921 -7.286 435 HA THR 53 HA THR 53 11.437 5.755 -5.111 436 HB THR 53 HB THR 53 14.402 6.554 -5.047 437 HG1 THR 53 HG1 THR 53 14.760 4.348 -4.790 438 1HG2 THR 53 1HG2 THR 53 12.973 5.020 -2.795 439 2HG2 THR 53 2HG2 THR 53 12.768 6.785 -2.952 440 3HG2 THR 53 3HG2 THR 53 14.378 6.104 -2.733 441 H LEU 54 H LEU 54 10.802 7.159 -3.652 442 HA LEU 54 HA LEU 54 11.201 10.069 -4.091 443 1HB LEU 54 1HB LEU 54 8.635 8.652 -3.940 444 2HB LEU 54 2HB LEU 54 8.873 10.406 -3.712 445 HG LEU 54 HG LEU 54 9.654 8.762 -6.182 446 1HD1 LEU 54 1HD1 LEU 54 7.054 9.886 -5.419 447 2HD1 LEU 54 2HD1 LEU 54 7.461 9.029 -6.929 448 3HD1 LEU 54 3HD1 LEU 54 7.708 10.750 -6.827 449 1HD2 LEU 54 1HD2 LEU 54 9.690 11.346 -7.099 450 2HD2 LEU 54 2HD2 LEU 54 11.101 10.574 -6.385 451 3HD2 LEU 54 3HD2 LEU 54 10.095 11.619 -5.374 452 H SER 55 H SER 55 10.827 11.443 -2.591 453 HA SER 55 HA SER 55 9.556 11.134 -0.061 454 1HB SER 55 1HB SER 55 11.578 11.165 1.411 455 2HB SER 55 2HB SER 55 11.502 9.687 0.444 456 HG SER 55 HG SER 55 12.849 11.106 -1.054 457 H THR 56 H THR 56 10.385 13.073 1.353 458 HA THR 56 HA THR 56 10.277 15.486 -0.316 459 HB THR 56 HB THR 56 10.708 16.641 1.945 460 HG1 THR 56 HG1 THR 56 10.147 15.033 3.648 461 1HG2 THR 56 1HG2 THR 56 8.370 16.018 2.749 462 2HG2 THR 56 2HG2 THR 56 8.374 14.583 1.673 463 3HG2 THR 56 3HG2 THR 56 8.339 16.179 0.963 464 H PHE 57 H PHE 57 12.815 13.489 1.039 465 HA PHE 57 HA PHE 57 14.935 15.518 0.803 466 1HB PHE 57 1HB PHE 57 14.418 13.241 2.351 467 2HB PHE 57 2HB PHE 57 15.677 12.703 1.196 468 HD1 PHE 57 HD1 PHE 57 17.417 12.349 2.971 469 HD2 PHE 57 HD2 PHE 57 15.590 16.261 2.489 470 HE1 PHE 57 HE1 PHE 57 19.160 13.386 4.387 471 HE2 PHE 57 HE2 PHE 57 17.354 17.232 3.907 472 HZ PHE 57 HZ PHE 57 19.118 15.787 4.834 473 H ARG 58 H ARG 58 17.030 14.633 -0.270 474 HA ARG 58 HA ARG 58 16.699 14.784 -2.967 475 1HB ARG 58 1HB ARG 58 18.766 14.559 -1.244 476 2HB ARG 58 2HB ARG 58 18.810 12.942 -1.966 477 1HG ARG 58 1HG ARG 58 20.285 14.463 -3.218 478 2HG ARG 58 2HG ARG 58 18.874 14.005 -4.234 479 1HD ARG 58 1HD ARG 58 18.439 16.428 -2.507 480 2HD ARG 58 2HD ARG 58 19.750 16.594 -3.675 481 HE ARG 58 HE ARG 58 17.228 15.474 -4.666 482 1HH1 ARG 58 1HH1 ARG 58 19.176 18.296 -4.285 483 2HH1 ARG 58 2HH1 ARG 58 18.388 19.252 -5.531 484 1HH2 ARG 58 1HH2 ARG 58 16.116 16.700 -6.370 485 2HH2 ARG 58 2HH2 ARG 58 16.671 18.316 -6.670 486 H ASN 59 H ASN 59 15.965 13.471 -4.525 487 HA ASN 59 HA ASN 59 15.415 10.575 -3.981 488 1HB ASN 59 1HB ASN 59 14.028 10.801 -6.113 489 2HB ASN 59 2HB ASN 59 13.524 11.875 -4.767 490 1HD2 ASN 59 1HD2 ASN 59 13.560 11.906 -7.951 491 2HD2 ASN 59 2HD2 ASN 59 13.989 13.560 -8.296 492 H TYR 60 H TYR 60 15.612 9.280 -6.228 493 HA TYR 60 HA TYR 60 17.830 10.178 -7.879 494 1HB TYR 60 1HB TYR 60 19.284 8.213 -7.489 495 2HB TYR 60 2HB TYR 60 19.198 9.378 -6.097 496 HD1 TYR 60 HD1 TYR 60 18.816 8.529 -3.938 497 HD2 TYR 60 HD2 TYR 60 17.559 6.181 -7.369 498 HE1 TYR 60 HE1 TYR 60 18.129 6.713 -2.479 499 HE2 TYR 60 HE2 TYR 60 16.881 4.386 -5.827 500 HH TYR 60 HH TYR 60 16.177 4.595 -2.932 501 H ILE 61 H ILE 61 17.718 8.991 -9.808 502 HA ILE 61 HA ILE 61 15.481 6.987 -9.988 503 HB ILE 61 HB ILE 61 16.355 8.193 -12.517 504 1HG1 ILE 61 1HG1 ILE 61 16.575 10.199 -11.110 505 2HG1 ILE 61 2HG1 ILE 61 15.241 10.371 -12.220 506 1HG2 ILE 61 1HG2 ILE 61 13.578 8.592 -12.152 507 2HG2 ILE 61 2HG2 ILE 61 13.949 7.078 -11.272 508 3HG2 ILE 61 3HG2 ILE 61 14.294 7.259 -13.026 509 1HD1 ILE 61 1HD1 ILE 61 14.431 11.271 -10.171 510 2HD1 ILE 61 2HD1 ILE 61 15.162 10.048 -9.144 511 3HD1 ILE 61 3HD1 ILE 61 13.752 9.616 -10.125 512 H MET 62 H MET 62 15.614 5.384 -11.370 513 HA MET 62 HA MET 62 18.318 4.657 -12.426 514 1HB MET 62 1HB MET 62 16.592 2.408 -11.455 515 2HB MET 62 2HB MET 62 18.334 2.536 -11.538 516 1HG MET 62 1HG MET 62 17.102 4.296 -9.442 517 2HG MET 62 2HG MET 62 16.854 2.517 -9.211 518 1HE MET 62 1HE MET 62 18.711 5.511 -8.916 519 2HE MET 62 2HE MET 62 20.428 5.094 -8.676 520 3HE MET 62 3HE MET 62 19.212 4.752 -7.380 521 H ASP 63 H ASP 63 17.826 2.450 -13.637 522 HA ASP 63 HA ASP 63 15.263 2.442 -15.054 523 1HB ASP 63 1HB ASP 63 16.771 4.040 -16.291 524 2HB ASP 63 2HB ASP 63 18.035 2.801 -16.380 525 H PHE 64 H PHE 64 14.770 0.392 -15.146 526 HA PHE 64 HA PHE 64 16.738 -1.837 -14.746 527 1HB PHE 64 1HB PHE 64 13.829 -1.520 -14.266 528 2HB PHE 64 2HB PHE 64 14.552 -3.121 -14.596 529 HD1 PHE 64 HD1 PHE 64 14.777 -4.253 -12.537 530 HD2 PHE 64 HD2 PHE 64 15.723 -0.070 -12.867 531 HE1 PHE 64 HE1 PHE 64 15.573 -4.272 -10.168 532 HE2 PHE 64 HE2 PHE 64 16.518 -0.060 -10.543 533 HZ PHE 64 HZ PHE 64 16.446 -2.135 -9.172 534 H GLN 65 H GLN 65 13.773 -2.324 -16.211 535 HA GLN 65 HA GLN 65 13.067 -2.949 -18.041 536 1HB GLN 65 1HB GLN 65 15.885 -2.669 -19.225 537 2HB GLN 65 2HB GLN 65 14.500 -3.117 -20.189 538 1HG GLN 65 1HG GLN 65 13.454 -0.893 -19.641 539 2HG GLN 65 2HG GLN 65 14.930 -0.472 -18.718 540 1HE2 GLN 65 1HE2 GLN 65 13.389 0.585 -21.145 541 2HE2 GLN 65 2HE2 GLN 65 14.499 0.738 -22.434 542 H VAL 66 H VAL 66 12.445 -4.909 -18.056 543 HA VAL 66 HA VAL 66 13.717 -7.159 -16.910 544 HB VAL 66 HB VAL 66 11.562 -6.755 -18.992 545 1HG1 VAL 66 1HG1 VAL 66 12.990 -9.236 -18.243 546 2HG1 VAL 66 2HG1 VAL 66 12.195 -8.869 -19.765 547 3HG1 VAL 66 3HG1 VAL 66 11.207 -9.394 -18.383 548 1HG2 VAL 66 1HG2 VAL 66 10.749 -6.185 -16.831 549 2HG2 VAL 66 2HG2 VAL 66 11.561 -7.547 -16.070 550 3HG2 VAL 66 3HG2 VAL 66 10.096 -7.824 -17.079 551 H GLY 67 H GLY 67 15.160 -8.551 -17.662 552 1HA GLY 67 1HA GLY 67 16.663 -9.698 -19.087 553 2HA GLY 67 2HA GLY 67 15.572 -9.301 -20.352 554 H LYS 68 H LYS 68 18.146 -7.708 -18.371 555 HA LYS 68 HA LYS 68 19.729 -7.033 -20.634 556 1HB LYS 68 1HB LYS 68 17.542 -5.342 -20.585 557 2HB LYS 68 2HB LYS 68 18.720 -4.432 -19.699 558 1HG LYS 68 1HG LYS 68 20.256 -4.352 -21.485 559 2HG LYS 68 2HG LYS 68 19.568 -5.825 -22.235 560 1HD LYS 68 1HD LYS 68 17.882 -4.736 -23.288 561 2HD LYS 68 2HD LYS 68 17.751 -3.428 -22.092 562 1HE LYS 68 1HE LYS 68 18.672 -2.353 -23.981 563 2HE LYS 68 2HE LYS 68 20.136 -2.651 -23.026 564 1HZ LYS 68 1HZ LYS 68 19.279 -4.355 -25.295 565 2HZ LYS 68 2HZ LYS 68 20.622 -4.615 -24.322 566 3HZ LYS 68 3HZ LYS 68 20.543 -3.229 -25.252 567 H GLU 69 H GLU 69 21.595 -6.017 -20.195 568 HA GLU 69 HA GLU 69 22.307 -5.866 -17.304 569 1HB GLU 69 1HB GLU 69 23.470 -7.098 -19.294 570 2HB GLU 69 2HB GLU 69 24.172 -5.485 -19.600 571 1HG GLU 69 1HG GLU 69 25.169 -5.416 -17.393 572 2HG GLU 69 2HG GLU 69 24.343 -6.896 -16.889 573 H PHE 70 H PHE 70 22.721 -3.760 -16.325 574 HA PHE 70 HA PHE 70 23.364 -1.594 -18.195 575 1HB PHE 70 1HB PHE 70 21.719 -0.123 -16.934 576 2HB PHE 70 2HB PHE 70 21.115 -1.137 -18.240 577 HD1 PHE 70 HD1 PHE 70 20.619 -0.196 -14.849 578 HD2 PHE 70 HD2 PHE 70 20.299 -3.637 -17.426 579 HE1 PHE 70 HE1 PHE 70 19.057 -1.278 -13.253 580 HE2 PHE 70 HE2 PHE 70 18.763 -4.716 -15.837 581 HZ PHE 70 HZ PHE 70 18.131 -3.505 -13.716 582 H GLU 71 H GLU 71 25.267 -1.155 -17.446 583 HA GLU 71 HA GLU 71 26.143 -1.309 -14.709 584 1HB GLU 71 1HB GLU 71 28.046 -1.110 -15.719 585 2HB GLU 71 2HB GLU 71 27.270 -0.563 -17.248 586 1HG GLU 71 1HG GLU 71 27.482 1.775 -16.541 587 2HG GLU 71 2HG GLU 71 27.748 1.368 -14.883 588 H GLU 72 H GLU 72 25.644 -0.033 -13.020 589 HA GLU 72 HA GLU 72 24.308 2.543 -13.641 590 1HB GLU 72 1HB GLU 72 23.752 0.398 -11.746 591 2HB GLU 72 2HB GLU 72 23.917 1.961 -10.966 592 1HG GLU 72 1HG GLU 72 22.037 1.322 -13.351 593 2HG GLU 72 2HG GLU 72 21.567 1.397 -11.671 594 H ASP 73 H ASP 73 26.046 3.982 -13.726 595 HA ASP 73 HA ASP 73 28.162 3.921 -11.682 596 1HB ASP 73 1HB ASP 73 27.544 6.332 -13.406 597 2HB ASP 73 2HB ASP 73 29.077 5.778 -12.678 598 H LEU 74 H LEU 74 26.735 3.824 -9.885 599 HA LEU 74 HA LEU 74 24.856 5.898 -9.350 600 1HB LEU 74 1HB LEU 74 25.708 3.475 -8.142 601 2HB LEU 74 2HB LEU 74 25.670 4.734 -6.914 602 HG LEU 74 HG LEU 74 23.366 5.439 -7.789 603 1HD1 LEU 74 1HD1 LEU 74 24.033 3.725 -9.919 604 2HD1 LEU 74 2HD1 LEU 74 22.409 4.358 -9.625 605 3HD1 LEU 74 3HD1 LEU 74 22.853 2.781 -9.016 606 1HD2 LEU 74 1HD2 LEU 74 23.225 4.163 -5.739 607 2HD2 LEU 74 2HD2 LEU 74 24.004 2.771 -6.475 608 3HD2 LEU 74 3HD2 LEU 74 22.301 3.123 -6.845 609 H THR 75 H THR 75 25.186 7.936 -8.728 610 HA THR 75 HA THR 75 27.313 8.661 -6.807 611 HB THR 75 HB THR 75 28.707 8.699 -8.657 612 HG1 THR 75 HG1 THR 75 28.799 11.089 -9.005 613 1HG2 THR 75 1HG2 THR 75 27.388 10.614 -10.463 614 2HG2 THR 75 2HG2 THR 75 26.248 9.289 -10.187 615 3HG2 THR 75 3HG2 THR 75 27.819 8.916 -10.855 616 H GLY 76 H GLY 76 25.795 9.383 -5.548 617 1HA GLY 76 1HA GLY 76 24.588 11.947 -6.219 618 2HA GLY 76 2HA GLY 76 23.402 10.617 -6.178 619 H ILE 77 H ILE 77 24.329 9.048 -4.097 620 HA ILE 77 HA ILE 77 24.572 10.862 -1.776 621 HB ILE 77 HB ILE 77 22.498 8.625 -1.911 622 1HG1 ILE 77 1HG1 ILE 77 21.975 11.627 -1.793 623 2HG1 ILE 77 2HG1 ILE 77 22.155 10.709 -3.268 624 1HG2 ILE 77 1HG2 ILE 77 23.397 8.914 0.410 625 2HG2 ILE 77 2HG2 ILE 77 21.742 9.584 0.331 626 3HG2 ILE 77 3HG2 ILE 77 23.185 10.647 0.370 627 1HD1 ILE 77 1HD1 ILE 77 20.214 9.553 -1.278 628 2HD1 ILE 77 2HD1 ILE 77 20.226 9.452 -3.036 629 3HD1 ILE 77 3HD1 ILE 77 19.667 10.940 -2.263 630 H ASP 78 H ASP 78 23.939 7.368 -2.388 631 HA ASP 78 HA ASP 78 26.015 6.637 -0.491 632 1HB ASP 78 1HB ASP 78 25.649 4.300 -1.465 633 2HB ASP 78 2HB ASP 78 24.452 5.056 -0.389 634 H ASP 79 H ASP 79 25.956 7.203 -3.961 635 HA ASP 79 HA ASP 79 27.585 7.074 -5.590 636 1HB ASP 79 1HB ASP 79 29.570 6.945 -3.354 637 2HB ASP 79 2HB ASP 79 29.881 7.387 -5.048 638 H ARG 80 H ARG 80 30.108 5.556 -5.735 639 HA ARG 80 HA ARG 80 30.878 3.427 -5.996 640 1HB ARG 80 1HB ARG 80 29.668 3.150 -3.669 641 2HB ARG 80 2HB ARG 80 28.518 2.195 -4.641 642 1HG ARG 80 1HG ARG 80 30.195 0.552 -5.172 643 2HG ARG 80 2HG ARG 80 31.515 1.638 -4.852 644 1HD ARG 80 1HD ARG 80 29.626 0.815 -2.578 645 2HD ARG 80 2HD ARG 80 30.986 -0.208 -3.024 646 HE ARG 80 HE ARG 80 32.510 1.613 -2.587 647 1HH1 ARG 80 1HH1 ARG 80 29.223 2.276 -1.334 648 2HH1 ARG 80 2HH1 ARG 80 29.877 3.464 -0.237 649 1HH2 ARG 80 1HH2 ARG 80 33.175 3.250 -1.062 650 2HH2 ARG 80 2HH2 ARG 80 31.941 3.968 -0.077 651 H LYS 81 H LYS 81 30.728 2.111 -7.660 652 HA LYS 81 HA LYS 81 28.270 2.313 -9.302 653 1HB LYS 81 1HB LYS 81 30.453 0.742 -10.537 654 2HB LYS 81 2HB LYS 81 29.592 2.085 -11.159 655 1HG LYS 81 1HG LYS 81 31.560 3.234 -11.012 656 2HG LYS 81 2HG LYS 81 31.153 3.399 -9.292 657 1HD LYS 81 1HD LYS 81 32.500 1.445 -8.688 658 2HD LYS 81 2HD LYS 81 32.657 0.966 -10.371 659 1HE LYS 81 1HE LYS 81 34.532 2.177 -10.601 660 2HE LYS 81 2HE LYS 81 33.630 3.687 -10.248 661 1HZ LYS 81 1HZ LYS 81 35.117 3.781 -8.664 662 2HZ LYS 81 2HZ LYS 81 35.310 2.092 -8.532 663 3HZ LYS 81 3HZ LYS 81 34.008 2.886 -7.785 664 H CYS 82 H CYS 82 27.703 0.266 -10.461 665 HA CYS 82 HA CYS 82 28.469 -2.331 -9.383 666 1HB CYS 82 1HB CYS 82 25.745 -2.619 -9.059 667 2HB CYS 82 2HB CYS 82 26.811 -2.301 -7.731 668 HG CYS 82 HG CYS 82 24.570 -1.107 -7.493 669 H MET 83 H MET 83 27.361 -4.012 -10.618 670 HA MET 83 HA MET 83 26.200 -2.891 -13.165 671 1HB MET 83 1HB MET 83 28.317 -3.799 -13.774 672 2HB MET 83 2HB MET 83 28.190 -5.146 -12.599 673 1HG MET 83 1HG MET 83 26.954 -6.463 -14.114 674 2HG MET 83 2HG MET 83 26.173 -5.099 -14.856 675 1HE MET 83 1HE MET 83 28.816 -7.596 -14.663 676 2HE MET 83 2HE MET 83 30.286 -6.654 -14.866 677 3HE MET 83 3HE MET 83 29.579 -7.535 -16.283 678 H THR 84 H THR 84 24.247 -3.524 -13.341 679 HA THR 84 HA THR 84 23.161 -5.755 -11.624 680 HB THR 84 HB THR 84 22.489 -2.996 -12.056 681 HG1 THR 84 HG1 THR 84 22.037 -4.914 -10.009 682 1HG2 THR 84 1HG2 THR 84 20.103 -3.442 -11.334 683 2HG2 THR 84 2HG2 THR 84 20.315 -5.173 -11.463 684 3HG2 THR 84 3HG2 THR 84 20.377 -4.179 -12.945 685 H THR 85 H THR 85 21.953 -7.225 -12.430 686 HA THR 85 HA THR 85 20.746 -6.890 -15.103 687 HB THR 85 HB THR 85 21.345 -9.673 -14.062 688 HG1 THR 85 HG1 THR 85 23.309 -8.804 -13.700 689 1HG2 THR 85 1HG2 THR 85 21.949 -9.760 -16.679 690 2HG2 THR 85 2HG2 THR 85 21.251 -8.118 -16.728 691 3HG2 THR 85 3HG2 THR 85 20.246 -9.508 -16.249 692 H VAL 86 H VAL 86 18.638 -7.670 -15.195 693 HA VAL 86 HA VAL 86 17.472 -8.530 -12.594 694 HB VAL 86 HB VAL 86 15.306 -7.399 -13.510 695 1HG1 VAL 86 1HG1 VAL 86 15.748 -5.879 -11.902 696 2HG1 VAL 86 2HG1 VAL 86 16.868 -5.007 -13.003 697 3HG1 VAL 86 3HG1 VAL 86 17.446 -6.277 -11.901 698 1HG2 VAL 86 1HG2 VAL 86 15.390 -5.779 -15.218 699 2HG2 VAL 86 2HG2 VAL 86 16.604 -6.934 -15.832 700 3HG2 VAL 86 3HG2 VAL 86 17.117 -5.470 -15.031 701 H SER 87 H SER 87 15.875 -10.141 -12.856 702 HA SER 87 HA SER 87 15.454 -11.288 -15.588 703 1HB SER 87 1HB SER 87 15.921 -13.587 -14.540 704 2HB SER 87 2HB SER 87 17.325 -12.567 -14.945 705 HG SER 87 HG SER 87 16.176 -13.116 -12.462 706 H TRP 88 H TRP 88 13.217 -11.042 -15.616 707 HA TRP 88 HA TRP 88 11.661 -11.320 -13.248 708 1HB TRP 88 1HB TRP 88 9.720 -11.310 -14.626 709 2HB TRP 88 2HB TRP 88 10.849 -10.346 -15.542 710 HD1 TRP 88 HD1 TRP 88 12.260 -11.804 -17.545 711 HE1 TRP 88 HE1 TRP 88 11.481 -13.629 -19.162 712 HE3 TRP 88 HE3 TRP 88 8.141 -13.217 -14.937 713 HZ2 TRP 88 HZ2 TRP 88 9.248 -15.484 -19.219 714 HZ3 TRP 88 HZ3 TRP 88 6.714 -15.005 -15.800 715 HH2 TRP 88 HH2 TRP 88 7.258 -16.138 -17.943 716 H ASP 89 H ASP 89 10.803 -13.204 -12.279 717 HA ASP 89 HA ASP 89 11.801 -15.732 -13.523 718 1HB ASP 89 1HB ASP 89 10.733 -15.208 -10.654 719 2HB ASP 89 2HB ASP 89 11.399 -16.760 -11.285 720 H GLY 90 H GLY 90 8.976 -14.240 -11.782 721 1HA GLY 90 1HA GLY 90 7.185 -15.172 -13.838 722 2HA GLY 90 2HA GLY 90 7.042 -16.161 -12.326 723 H ASP 91 H ASP 91 6.539 -15.122 -10.332 724 HA ASP 91 HA ASP 91 4.953 -12.650 -10.766 725 1HB ASP 91 1HB ASP 91 4.651 -15.055 -9.190 726 2HB ASP 91 2HB ASP 91 4.419 -13.546 -8.244 727 H LYS 92 H LYS 92 8.076 -13.101 -10.038 728 HA LYS 92 HA LYS 92 8.092 -11.012 -7.948 729 1HB LYS 92 1HB LYS 92 10.154 -13.273 -8.093 730 2HB LYS 92 2HB LYS 92 9.955 -12.037 -6.869 731 1HG LYS 92 1HG LYS 92 8.256 -13.165 -5.712 732 2HG LYS 92 2HG LYS 92 7.559 -13.735 -7.257 733 1HD LYS 92 1HD LYS 92 8.565 -15.515 -5.662 734 2HD LYS 92 2HD LYS 92 9.101 -15.554 -7.377 735 1HE LYS 92 1HE LYS 92 11.216 -15.628 -6.493 736 2HE LYS 92 2HE LYS 92 11.029 -13.921 -6.149 737 1HZ LYS 92 1HZ LYS 92 11.649 -15.545 -4.355 738 2HZ LYS 92 2HZ LYS 92 9.967 -15.822 -4.204 739 3HZ LYS 92 3HZ LYS 92 10.582 -14.267 -4.006 740 H LEU 93 H LEU 93 10.490 -10.208 -7.812 741 HA LEU 93 HA LEU 93 11.873 -10.338 -10.401 742 1HB LEU 93 1HB LEU 93 10.067 -8.291 -9.917 743 2HB LEU 93 2HB LEU 93 11.443 -7.682 -9.033 744 HG LEU 93 HG LEU 93 10.890 -7.068 -11.572 745 1HD1 LEU 93 1HD1 LEU 93 13.652 -6.727 -11.575 746 2HD1 LEU 93 2HD1 LEU 93 13.348 -7.111 -9.851 747 3HD1 LEU 93 3HD1 LEU 93 12.554 -5.737 -10.582 748 1HD2 LEU 93 1HD2 LEU 93 12.596 -8.217 -13.087 749 2HD2 LEU 93 2HD2 LEU 93 11.324 -9.318 -12.516 750 3HD2 LEU 93 3HD2 LEU 93 12.933 -9.394 -11.769 751 H GLN 94 H GLN 94 14.085 -10.222 -10.144 752 HA GLN 94 HA GLN 94 15.062 -9.607 -7.395 753 1HB GLN 94 1HB GLN 94 16.570 -11.489 -9.008 754 2HB GLN 94 2HB GLN 94 16.268 -11.482 -7.287 755 1HG GLN 94 1HG GLN 94 13.683 -12.062 -8.289 756 2HG GLN 94 2HG GLN 94 14.704 -12.751 -9.508 757 1HE2 GLN 94 1HE2 GLN 94 15.354 -14.741 -9.307 758 2HE2 GLN 94 2HE2 GLN 94 15.442 -15.667 -7.842 759 H CYS 95 H CYS 95 17.058 -8.669 -7.239 760 HA CYS 95 HA CYS 95 18.479 -7.872 -9.729 761 1HB CYS 95 1HB CYS 95 17.415 -5.848 -9.571 762 2HB CYS 95 2HB CYS 95 17.216 -6.017 -7.800 763 HG CYS 95 HG CYS 95 20.200 -5.829 -9.107 764 H VAL 96 H VAL 96 20.615 -8.309 -9.601 765 HA VAL 96 HA VAL 96 21.776 -8.404 -6.826 766 HB VAL 96 HB VAL 96 22.369 -9.989 -9.292 767 1HG1 VAL 96 1HG1 VAL 96 24.172 -10.413 -6.946 768 2HG1 VAL 96 2HG1 VAL 96 24.506 -8.911 -7.803 769 3HG1 VAL 96 3HG1 VAL 96 24.609 -10.418 -8.681 770 1HG2 VAL 96 1HG2 VAL 96 20.967 -11.319 -7.935 771 2HG2 VAL 96 2HG2 VAL 96 21.467 -10.500 -6.412 772 3HG2 VAL 96 3HG2 VAL 96 22.459 -11.747 -7.134 773 H GLN 97 H GLN 97 22.859 -6.589 -6.445 774 HA GLN 97 HA GLN 97 23.962 -4.896 -8.608 775 1HB GLN 97 1HB GLN 97 23.373 -4.607 -5.684 776 2HB GLN 97 2HB GLN 97 24.574 -3.548 -6.492 777 1HG GLN 97 1HG GLN 97 22.787 -2.870 -8.113 778 2HG GLN 97 2HG GLN 97 21.591 -3.781 -7.242 779 1HE2 GLN 97 1HE2 GLN 97 20.382 -1.807 -6.822 780 2HE2 GLN 97 2HE2 GLN 97 20.895 -0.733 -5.557 781 H LYS 98 H LYS 98 25.553 -6.517 -9.177 782 HA LYS 98 HA LYS 98 27.664 -7.350 -7.317 783 1HB LYS 98 1HB LYS 98 26.708 -8.587 -9.312 784 2HB LYS 98 2HB LYS 98 27.654 -7.519 -10.349 785 1HG LYS 98 1HG LYS 98 29.721 -8.212 -9.483 786 2HG LYS 98 2HG LYS 98 28.985 -9.118 -8.124 787 1HD LYS 98 1HD LYS 98 29.493 -10.798 -9.684 788 2HD LYS 98 2HD LYS 98 27.749 -10.522 -9.892 789 1HE LYS 98 1HE LYS 98 28.667 -10.603 -12.163 790 2HE LYS 98 2HE LYS 98 28.521 -8.873 -11.879 791 1HZ LYS 98 1HZ LYS 98 30.967 -9.245 -10.908 792 2HZ LYS 98 2HZ LYS 98 30.677 -9.041 -12.566 793 3HZ LYS 98 3HZ LYS 98 30.912 -10.569 -11.951 794 H GLY 99 H GLY 99 28.554 -5.500 -6.492 795 1HA GLY 99 1HA GLY 99 30.250 -3.870 -8.336 796 2HA GLY 99 2HA GLY 99 29.521 -3.218 -6.873 797 H GLU 100 H GLU 100 30.054 -4.659 -4.784 798 HA GLU 100 HA GLU 100 32.861 -5.670 -4.811 799 1HB GLU 100 1HB GLU 100 33.389 -3.546 -4.545 800 2HB GLU 100 2HB GLU 100 31.932 -3.179 -3.587 801 1HG GLU 100 1HG GLU 100 33.528 -3.069 -1.967 802 2HG GLU 100 2HG GLU 100 33.001 -4.693 -1.711 803 H LYS 101 H LYS 101 29.784 -5.218 -2.965 804 HA LYS 101 HA LYS 101 30.717 -6.829 -0.720 805 1HB LYS 101 1HB LYS 101 27.954 -5.843 -1.347 806 2HB LYS 101 2HB LYS 101 28.561 -6.427 0.194 807 1HG LYS 101 1HG LYS 101 29.397 -3.901 -1.301 808 2HG LYS 101 2HG LYS 101 28.487 -3.975 0.242 809 1HD LYS 101 1HD LYS 101 30.422 -5.166 1.318 810 2HD LYS 101 2HD LYS 101 31.363 -4.973 -0.167 811 1HE LYS 101 1HE LYS 101 31.444 -2.630 0.027 812 2HE LYS 101 2HE LYS 101 30.143 -2.601 1.288 813 1HZ LYS 101 1HZ LYS 101 31.669 -2.900 2.859 814 2HZ LYS 101 2HZ LYS 101 32.899 -2.835 1.731 815 3HZ LYS 101 3HZ LYS 101 32.220 -4.305 2.113 816 H GLU 102 H GLU 102 28.852 -8.362 0.124 817 HA GLU 102 HA GLU 102 28.741 -10.567 -1.825 818 1HB GLU 102 1HB GLU 102 28.503 -10.394 1.211 819 2HB GLU 102 2HB GLU 102 28.207 -11.871 0.315 820 1HG GLU 102 1HG GLU 102 30.853 -10.329 0.135 821 2HG GLU 102 2HG GLU 102 30.609 -11.601 1.334 822 H GLY 103 H GLY 103 26.628 -8.516 0.320 823 1HA GLY 103 1HA GLY 103 24.335 -10.250 -0.459 824 2HA GLY 103 2HA GLY 103 24.444 -9.359 0.978 825 H ARG 104 H ARG 104 25.607 -6.969 -0.826 826 HA ARG 104 HA ARG 104 23.365 -5.351 -0.996 827 1HB ARG 104 1HB ARG 104 25.936 -4.912 -1.436 828 2HB ARG 104 2HB ARG 104 25.373 -4.928 -3.106 829 1HG ARG 104 1HG ARG 104 23.426 -3.369 -1.942 830 2HG ARG 104 2HG ARG 104 24.832 -3.012 -0.905 831 1HD ARG 104 1HD ARG 104 26.197 -2.529 -3.016 832 2HD ARG 104 2HD ARG 104 24.775 -2.865 -3.972 833 HE ARG 104 HE ARG 104 23.952 -0.924 -2.109 834 1HH1 ARG 104 1HH1 ARG 104 26.509 -1.143 -4.383 835 2HH1 ARG 104 2HH1 ARG 104 26.697 0.552 -4.683 836 1HH2 ARG 104 1HH2 ARG 104 24.022 1.388 -2.399 837 2HH2 ARG 104 2HH2 ARG 104 25.195 1.973 -3.517 838 H GLY 105 H GLY 105 21.491 -5.815 -1.911 839 1HA GLY 105 1HA GLY 105 21.161 -5.831 -4.737 840 2HA GLY 105 2HA GLY 105 21.102 -7.515 -4.151 841 H TRP 106 H TRP 106 18.875 -5.780 -5.190 842 HA TRP 106 HA TRP 106 17.167 -5.710 -2.701 843 1HB TRP 106 1HB TRP 106 16.381 -4.435 -5.261 844 2HB TRP 106 2HB TRP 106 15.702 -4.257 -3.680 845 HD1 TRP 106 HD1 TRP 106 19.143 -3.930 -2.655 846 HE1 TRP 106 HE1 TRP 106 20.092 -1.509 -2.869 847 HE3 TRP 106 HE3 TRP 106 15.590 -1.934 -5.799 848 HZ2 TRP 106 HZ2 TRP 106 19.409 0.905 -4.182 849 HZ3 TRP 106 HZ3 TRP 106 15.830 0.477 -6.479 850 HH2 TRP 106 HH2 TRP 106 17.736 1.811 -5.642 851 H THR 107 H THR 107 15.800 -7.495 -2.522 852 HA THR 107 HA THR 107 15.095 -8.920 -5.070 853 HB THR 107 HB THR 107 14.861 -9.709 -2.176 854 HG1 THR 107 HG1 THR 107 16.910 -9.758 -3.957 855 1HG2 THR 107 1HG2 THR 107 14.603 -11.441 -4.733 856 2HG2 THR 107 2HG2 THR 107 13.238 -10.884 -3.714 857 3HG2 THR 107 3HG2 THR 107 14.414 -12.055 -3.101 858 H GLN 108 H GLN 108 13.200 -8.034 -5.851 859 HA GLN 108 HA GLN 108 11.095 -7.023 -4.052 860 1HB GLN 108 1HB GLN 108 11.680 -7.098 -7.072 861 2HB GLN 108 2HB GLN 108 10.075 -6.749 -6.541 862 1HG GLN 108 1HG GLN 108 11.200 -4.848 -5.087 863 2HG GLN 108 2HG GLN 108 12.578 -5.159 -6.145 864 1HE2 GLN 108 1HE2 GLN 108 11.226 -2.592 -6.176 865 2HE2 GLN 108 2HE2 GLN 108 10.364 -2.479 -7.678 866 H TRP 109 H TRP 109 8.892 -7.857 -4.276 867 HA TRP 109 HA TRP 109 8.296 -10.313 -5.706 868 1HB TRP 109 1HB TRP 109 9.798 -11.407 -4.218 869 2HB TRP 109 2HB TRP 109 9.189 -10.471 -2.843 870 HD1 TRP 109 HD1 TRP 109 6.153 -11.726 -4.578 871 HE1 TRP 109 HE1 TRP 109 5.238 -13.913 -3.393 872 HE3 TRP 109 HE3 TRP 109 10.245 -12.907 -1.638 873 HZ2 TRP 109 HZ2 TRP 109 6.160 -15.777 -1.527 874 HZ3 TRP 109 HZ3 TRP 109 10.132 -14.891 -0.207 875 HH2 TRP 109 HH2 TRP 109 8.078 -16.300 -0.160 876 H ILE 110 H ILE 110 6.375 -9.543 -6.178 877 HA ILE 110 HA ILE 110 4.644 -8.118 -4.361 878 HB ILE 110 HB ILE 110 4.692 -9.001 -7.171 879 1HG1 ILE 110 1HG1 ILE 110 4.238 -6.435 -5.586 880 2HG1 ILE 110 2HG1 ILE 110 5.622 -6.931 -6.539 881 1HG2 ILE 110 1HG2 ILE 110 2.359 -9.720 -6.755 882 2HG2 ILE 110 2HG2 ILE 110 2.215 -8.063 -7.305 883 3HG2 ILE 110 3HG2 ILE 110 2.109 -8.395 -5.575 884 1HD1 ILE 110 1HD1 ILE 110 2.831 -6.166 -7.662 885 2HD1 ILE 110 2HD1 ILE 110 4.154 -6.876 -8.630 886 3HD1 ILE 110 3HD1 ILE 110 4.373 -5.303 -7.869 887 H GLU 111 H GLU 111 2.719 -8.715 -3.519 888 HA GLU 111 HA GLU 111 1.884 -11.557 -3.676 889 1HB GLU 111 1HB GLU 111 1.878 -9.878 -1.151 890 2HB GLU 111 2HB GLU 111 1.518 -11.609 -1.277 891 1HG GLU 111 1HG GLU 111 3.692 -12.228 -1.566 892 2HG GLU 111 2HG GLU 111 4.220 -10.643 -2.186 893 H GLY 112 H GLY 112 0.329 -10.552 -5.225 894 1HA GLY 112 1HA GLY 112 -1.821 -9.951 -5.749 895 2HA GLY 112 2HA GLY 112 -2.129 -9.758 -3.957 896 H ASP 113 H ASP 113 -2.118 -7.763 -3.066 897 HA ASP 113 HA ASP 113 -1.400 -5.477 -4.909 898 1HB ASP 113 1HB ASP 113 -3.360 -5.609 -2.646 899 2HB ASP 113 2HB ASP 113 -2.955 -4.177 -3.587 900 H GLU 114 H GLU 114 0.285 -7.138 -2.867 901 HA GLU 114 HA GLU 114 1.278 -4.821 -1.263 902 1HB GLU 114 1HB GLU 114 0.865 -7.640 -0.336 903 2HB GLU 114 2HB GLU 114 2.160 -6.623 0.333 904 1HG GLU 114 1HG GLU 114 0.272 -4.899 0.853 905 2HG GLU 114 2HG GLU 114 -0.826 -6.241 0.491 906 H LEU 115 H LEU 115 3.412 -4.557 -1.185 907 HA LEU 115 HA LEU 115 5.028 -6.342 -2.986 908 1HB LEU 115 1HB LEU 115 4.760 -3.492 -2.785 909 2HB LEU 115 2HB LEU 115 6.294 -3.822 -2.080 910 HG LEU 115 HG LEU 115 5.768 -5.200 -4.675 911 1HD1 LEU 115 1HD1 LEU 115 6.676 -2.664 -5.462 912 2HD1 LEU 115 2HD1 LEU 115 5.558 -2.278 -4.168 913 3HD1 LEU 115 3HD1 LEU 115 4.982 -3.193 -5.601 914 1HD2 LEU 115 1HD2 LEU 115 8.205 -4.128 -4.982 915 2HD2 LEU 115 2HD2 LEU 115 7.954 -5.493 -3.854 916 3HD2 LEU 115 3HD2 LEU 115 8.070 -3.830 -3.231 917 H HIS 116 H HIS 116 6.476 -7.606 -2.100 918 HA HIS 116 HA HIS 116 7.335 -7.103 0.753 919 1HB HIS 116 1HB HIS 116 6.077 -9.100 0.578 920 2HB HIS 116 2HB HIS 116 7.057 -9.689 -0.786 921 HD1 HIS 116 HD1 HIS 116 9.153 -10.797 -0.421 922 HD2 HIS 116 HD2 HIS 116 7.570 -9.244 3.139 923 HE1 HIS 116 HE1 HIS 116 10.583 -11.784 1.484 924 HE2 HIS 116 HE2 HIS 116 9.636 -10.853 3.641 925 H LEU 117 H LEU 117 9.225 -5.912 0.426 926 HA LEU 117 HA LEU 117 11.202 -6.888 -1.582 927 1HB LEU 117 1HB LEU 117 10.520 -4.682 -2.021 928 2HB LEU 117 2HB LEU 117 10.434 -4.215 -0.411 929 HG LEU 117 HG LEU 117 13.152 -4.941 -1.572 930 1HD1 LEU 117 1HD1 LEU 117 11.658 -3.082 -2.974 931 2HD1 LEU 117 2HD1 LEU 117 13.392 -2.976 -2.785 932 3HD1 LEU 117 3HD1 LEU 117 12.302 -2.030 -1.712 933 1HD2 LEU 117 1HD2 LEU 117 13.582 -4.431 0.631 934 2HD2 LEU 117 2HD2 LEU 117 12.102 -3.469 0.809 935 3HD2 LEU 117 3HD2 LEU 117 13.532 -2.728 0.099 936 H GLU 118 H GLU 118 13.044 -7.770 -0.771 937 HA GLU 118 HA GLU 118 13.865 -7.241 2.070 938 1HB GLU 118 1HB GLU 118 13.381 -9.643 0.642 939 2HB GLU 118 2HB GLU 118 15.168 -9.500 0.844 940 1HG GLU 118 1HG GLU 118 14.957 -9.408 3.253 941 2HG GLU 118 2HG GLU 118 13.273 -9.012 3.199 942 H MET 119 H MET 119 15.334 -5.607 1.922 943 HA MET 119 HA MET 119 17.196 -5.648 -0.346 944 1HB MET 119 1HB MET 119 15.896 -3.614 0.772 945 2HB MET 119 2HB MET 119 17.244 -3.623 1.888 946 1HG MET 119 1HG MET 119 18.702 -3.618 -0.390 947 2HG MET 119 2HG MET 119 17.198 -3.011 -1.094 948 1HE MET 119 1HE MET 119 16.377 -0.997 -1.076 949 2HE MET 119 2HE MET 119 17.867 -0.244 -1.634 950 3HE MET 119 3HE MET 119 16.972 0.469 -0.248 951 H ARG 120 H ARG 120 19.503 -5.360 0.186 952 HA ARG 120 HA ARG 120 20.461 -6.330 2.850 953 1HB ARG 120 1HB ARG 120 20.896 -7.716 0.214 954 2HB ARG 120 2HB ARG 120 21.896 -8.022 1.600 955 1HG ARG 120 1HG ARG 120 19.535 -8.404 2.862 956 2HG ARG 120 2HG ARG 120 18.929 -8.618 1.224 957 1HD ARG 120 1HD ARG 120 21.306 -10.138 2.434 958 2HD ARG 120 2HD ARG 120 19.677 -10.797 2.289 959 HE ARG 120 HE ARG 120 20.163 -10.030 -0.247 960 1HH1 ARG 120 1HH1 ARG 120 22.065 -11.934 2.073 961 2HH1 ARG 120 2HH1 ARG 120 22.814 -12.912 0.868 962 1HH2 ARG 120 1HH2 ARG 120 21.125 -11.295 -1.821 963 2HH2 ARG 120 2HH2 ARG 120 22.254 -12.532 -1.477 964 H ALA 121 H ALA 121 22.948 -6.707 2.603 965 HA ALA 121 HA ALA 121 24.673 -5.511 0.857 966 1HB ALA 121 1HB ALA 121 25.130 -3.299 2.334 967 2HB ALA 121 2HB ALA 121 23.364 -3.421 2.582 968 3HB ALA 121 3HB ALA 121 24.058 -3.256 0.930 969 H GLU 122 H GLU 122 26.627 -6.164 1.508 970 HA GLU 122 HA GLU 122 28.271 -7.113 2.893 971 1HB GLU 122 1HB GLU 122 27.765 -4.651 3.770 972 2HB GLU 122 2HB GLU 122 27.360 -5.590 5.226 973 1HG GLU 122 1HG GLU 122 29.703 -6.821 4.520 974 2HG GLU 122 2HG GLU 122 29.956 -5.291 3.741 975 H GLY 123 H GLY 123 25.736 -8.571 2.786 976 1HA GLY 123 1HA GLY 123 25.102 -10.622 3.821 977 2HA GLY 123 2HA GLY 123 26.203 -10.292 5.123 978 H VAL 124 H VAL 124 24.445 -7.468 5.022 979 HA VAL 124 HA VAL 124 22.795 -8.315 7.275 980 HB VAL 124 HB VAL 124 23.863 -5.803 6.243 981 1HG1 VAL 124 1HG1 VAL 124 20.854 -5.635 6.729 982 2HG1 VAL 124 2HG1 VAL 124 21.635 -5.447 5.183 983 3HG1 VAL 124 3HG1 VAL 124 21.949 -4.273 6.508 984 1HG2 VAL 124 1HG2 VAL 124 24.044 -6.639 8.634 985 2HG2 VAL 124 2HG2 VAL 124 22.276 -6.447 8.802 986 3HG2 VAL 124 3HG2 VAL 124 23.306 -5.043 8.529 987 H THR 125 H THR 125 20.522 -7.891 7.369 988 HA THR 125 HA THR 125 19.075 -8.044 4.739 989 HB THR 125 HB THR 125 18.296 -9.553 7.228 990 HG1 THR 125 HG1 THR 125 20.177 -10.464 6.700 991 1HG2 THR 125 1HG2 THR 125 17.676 -10.331 4.346 992 2HG2 THR 125 2HG2 THR 125 16.779 -8.968 4.992 993 3HG2 THR 125 3HG2 THR 125 16.659 -10.524 5.810 994 H CYS 126 H CYS 126 17.932 -6.293 4.557 995 HA CYS 126 HA CYS 126 16.339 -5.129 6.833 996 1HB CYS 126 1HB CYS 126 17.639 -3.229 6.345 997 2HB CYS 126 2HB CYS 126 18.293 -3.979 4.870 998 HG CYS 126 HG CYS 126 17.295 -1.928 4.019 999 H LYS 127 H LYS 127 14.246 -4.417 6.260 1000 HA LYS 127 HA LYS 127 13.174 -5.531 3.677 1001 1HB LYS 127 1HB LYS 127 11.267 -5.666 5.800 1002 2HB LYS 127 2HB LYS 127 11.832 -6.834 4.637 1003 1HG LYS 127 1HG LYS 127 13.733 -7.477 6.116 1004 2HG LYS 127 2HG LYS 127 13.380 -6.106 7.200 1005 1HD LYS 127 1HD LYS 127 12.547 -8.454 7.887 1006 2HD LYS 127 2HD LYS 127 11.375 -7.091 7.980 1007 1HE LYS 127 1HE LYS 127 10.242 -7.702 6.028 1008 2HE LYS 127 2HE LYS 127 11.527 -8.739 5.418 1009 1HZ LYS 127 1HZ LYS 127 10.483 -9.533 8.005 1010 2HZ LYS 127 2HZ LYS 127 10.861 -10.467 6.659 1011 3HZ LYS 127 3HZ LYS 127 9.382 -9.698 6.709 1012 H GLN 128 H GLN 128 11.325 -4.527 2.924 1013 HA GLN 128 HA GLN 128 10.200 -2.214 4.357 1014 1HB GLN 128 1HB GLN 128 11.964 -1.894 2.033 1015 2HB GLN 128 2HB GLN 128 10.345 -1.313 1.684 1016 1HG GLN 128 1HG GLN 128 10.704 -0.259 4.205 1017 2HG GLN 128 2HG GLN 128 12.361 -0.303 3.617 1018 1HE2 GLN 128 1HE2 GLN 128 9.135 0.923 2.897 1019 2HE2 GLN 128 2HE2 GLN 128 9.619 2.258 1.890 1020 H VAL 129 H VAL 129 8.126 -2.781 4.471 1021 HA VAL 129 HA VAL 129 6.918 -4.404 2.283 1022 HB VAL 129 HB VAL 129 5.594 -3.502 4.870 1023 1HG1 VAL 129 1HG1 VAL 129 4.458 -5.900 4.232 1024 2HG1 VAL 129 2HG1 VAL 129 4.889 -5.354 2.621 1025 3HG1 VAL 129 3HG1 VAL 129 3.804 -4.378 3.633 1026 1HG2 VAL 129 1HG2 VAL 129 6.650 -6.356 4.507 1027 2HG2 VAL 129 2HG2 VAL 129 6.623 -5.332 5.945 1028 3HG2 VAL 129 3HG2 VAL 129 7.880 -5.086 4.712 1029 H PHE 130 H PHE 130 5.336 -3.642 0.985 1030 HA PHE 130 HA PHE 130 4.623 -0.750 1.288 1031 1HB PHE 130 1HB PHE 130 5.021 -2.239 -1.361 1032 2HB PHE 130 2HB PHE 130 4.441 -0.578 -1.181 1033 HD1 PHE 130 HD1 PHE 130 7.262 -2.924 -0.726 1034 HD2 PHE 130 HD2 PHE 130 6.116 1.185 -0.683 1035 HE1 PHE 130 HE1 PHE 130 9.638 -2.314 -0.674 1036 HE2 PHE 130 HE2 PHE 130 8.516 1.829 -0.633 1037 HZ PHE 130 HZ PHE 130 10.298 0.113 -0.626 1038 H LYS 131 H LYS 131 2.675 -0.196 -0.038 1039 HA LYS 131 HA LYS 131 0.630 -2.349 -0.252 1040 1HB LYS 131 1HB LYS 131 0.509 -1.241 2.088 1041 2HB LYS 131 2HB LYS 131 0.286 0.303 1.308 1042 1HG LYS 131 1HG LYS 131 -1.902 -0.429 1.920 1043 2HG LYS 131 2HG LYS 131 -1.739 -0.738 0.163 1044 1HD LYS 131 1HD LYS 131 -1.147 -3.077 0.578 1045 2HD LYS 131 2HD LYS 131 -1.320 -2.797 2.355 1046 1HE LYS 131 1HE LYS 131 -3.540 -2.506 0.250 1047 2HE LYS 131 2HE LYS 131 -3.336 -3.815 1.465 1048 1HZ LYS 131 1HZ LYS 131 -4.089 -0.989 1.817 1049 2HZ LYS 131 2HZ LYS 131 -3.358 -1.819 3.091 1050 3HZ LYS 131 3HZ LYS 131 -4.847 -2.350 2.442 1051 H LYS 132 H LYS 132 -0.373 -2.046 -2.276 1052 HA LYS 132 HA LYS 132 0.385 0.342 -3.762 1053 1HB LYS 132 1HB LYS 132 0.190 -1.859 -4.800 1054 2HB LYS 132 2HB LYS 132 -1.559 -1.860 -4.469 1055 1HG LYS 132 1HG LYS 132 -1.931 -0.001 -5.954 1056 2HG LYS 132 2HG LYS 132 -0.145 0.327 -6.117 1057 1HD LYS 132 1HD LYS 132 0.054 -1.213 -7.703 1058 2HD LYS 132 2HD LYS 132 -0.881 -2.414 -6.849 1059 1HE LYS 132 1HE LYS 132 -2.974 -0.816 -7.539 1060 2HE LYS 132 2HE LYS 132 -1.830 -0.321 -8.804 1061 1HZ LYS 132 1HZ LYS 132 -3.506 -2.358 -9.073 1062 2HZ LYS 132 2HZ LYS 132 -2.287 -3.203 -8.325 1063 3HZ LYS 132 3HZ LYS 132 -2.005 -2.402 -9.793 1064 H VAL 133 H VAL 133 -0.797 2.121 -4.081 1065 HA VAL 133 HA VAL 133 -3.533 2.275 -2.828 1066 HB VAL 133 HB VAL 133 -1.937 4.664 -3.570 1067 1HG1 VAL 133 1HG1 VAL 133 -4.442 4.537 -2.714 1068 2HG1 VAL 133 2HG1 VAL 133 -3.345 5.807 -2.145 1069 3HG1 VAL 133 3HG1 VAL 133 -3.738 4.382 -1.121 1070 1HG2 VAL 133 1HG2 VAL 133 -1.687 2.924 -0.988 1071 2HG2 VAL 133 2HG2 VAL 133 -1.020 4.559 -1.148 1072 3HG2 VAL 133 3HG2 VAL 133 -0.380 3.265 -2.149 1073 H HIS 134 H HIS 134 -1.712 3.656 -5.549 1074 HA HIS 134 HA HIS 134 -2.426 4.226 -7.678 1075 1HB HIS 134 1HB HIS 134 -3.212 1.915 -7.534 1076 2HB HIS 134 2HB HIS 134 -4.860 2.520 -7.203 1077 HD1 HIS 134 HD1 HIS 134 -5.997 1.915 -9.336 1078 HD2 HIS 134 HD2 HIS 134 -2.461 4.109 -9.923 1079 HE1 HIS 134 HE1 HIS 134 -5.970 2.506 -11.808 1080 HE2 HIS 134 HE2 HIS 134 -3.788 3.847 -12.141
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