NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
8633 | 1mke | 5554 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASP 1 H ASP 1 -11.148 16.477 10.909 2 HA ASP 1 HA ASP 1 -9.368 18.311 9.581 3 1HB ASP 1 2HB ASP 1 -8.297 17.438 12.193 4 2HB ASP 1 1HB ASP 1 -8.231 19.019 11.439 5 H LEU 2 H LEU 2 -6.938 17.234 10.016 6 HA LEU 2 HA LEU 2 -7.166 14.596 8.970 7 1HB LEU 2 2HB LEU 2 -4.811 16.308 9.767 8 2HB LEU 2 1HB LEU 2 -4.657 14.708 9.068 9 HG LEU 2 HG LEU 2 -6.096 16.993 7.697 10 1HD1 LEU 2 1HD1 LEU 2 -4.171 17.598 6.558 11 2HD1 LEU 2 2HD1 LEU 2 -3.571 17.305 8.208 12 3HD1 LEU 2 3HD1 LEU 2 -3.333 16.075 6.944 13 1HD2 LEU 2 1HD2 LEU 2 -6.328 14.355 7.169 14 2HD2 LEU 2 2HD2 LEU 2 -6.447 15.631 5.933 15 3HD2 LEU 2 3HD2 LEU 2 -4.916 14.752 6.162 16 HA PRO 3 HA PRO 3 -6.764 12.333 12.620 17 1HB PRO 3 2HB PRO 3 -5.419 10.097 11.807 18 2HB PRO 3 1HB PRO 3 -7.133 10.337 11.533 19 1HG PRO 3 2HG PRO 3 -4.901 10.540 9.604 20 2HG PRO 3 1HG PRO 3 -6.614 10.354 9.285 21 1HD PRO 3 2HD PRO 3 -5.075 12.763 9.046 22 2HD PRO 3 1HD PRO 3 -6.808 12.601 8.839 23 HA PRO 4 HA PRO 4 -3.093 13.062 14.613 24 1HB PRO 4 2HB PRO 4 -3.238 11.404 16.780 25 2HB PRO 4 1HB PRO 4 -4.062 12.948 16.698 26 1HG PRO 4 2HG PRO 4 -5.192 10.228 16.440 27 2HG PRO 4 1HG PRO 4 -6.021 11.733 16.784 28 1HD PRO 4 2HD PRO 4 -5.968 10.337 14.279 29 2HD PRO 4 1HD PRO 4 -6.700 11.898 14.594 30 HA PRO 5 HA PRO 5 -0.275 10.216 13.163 31 1HB PRO 5 2HB PRO 5 2.044 11.469 13.884 32 2HB PRO 5 1HB PRO 5 1.157 11.860 12.424 33 1HG PRO 5 2HG PRO 5 1.325 13.379 14.955 34 2HG PRO 5 1HG PRO 5 0.815 13.935 13.373 35 1HD PRO 5 2HD PRO 5 -0.880 13.301 15.599 36 2HD PRO 5 1HD PRO 5 -1.394 13.744 13.983 37 H GLU 6 H GLU 6 0.408 8.271 13.831 38 HA GLU 6 HA GLU 6 0.779 8.147 16.714 39 1HB GLU 6 2HB GLU 6 -0.378 6.318 14.675 40 2HB GLU 6 1HB GLU 6 0.623 5.522 15.873 41 1HG GLU 6 2HG GLU 6 -0.714 6.778 17.672 42 2HG GLU 6 1HG GLU 6 -1.802 7.297 16.400 43 HA PRO 7 HA PRO 7 4.962 7.156 16.119 44 1HB PRO 7 2HB PRO 7 5.547 5.854 18.450 45 2HB PRO 7 1HB PRO 7 5.461 7.600 18.323 46 1HG PRO 7 2HG PRO 7 3.517 5.730 19.533 47 2HG PRO 7 1HG PRO 7 3.665 7.460 19.763 48 1HD PRO 7 2HD PRO 7 1.713 6.104 18.157 49 2HD PRO 7 1HD PRO 7 1.935 7.837 18.296 50 H TYR 8 H TYR 8 5.802 5.850 14.634 51 HA TYR 8 HA TYR 8 4.952 3.048 14.868 52 1HB TYR 8 2HB TYR 8 4.367 4.245 12.761 53 2HB TYR 8 1HB TYR 8 5.993 4.885 12.627 54 HD1 TYR 8 1HD TYR 8 7.472 3.845 11.168 55 HD2 TYR 8 2HD TYR 8 4.233 1.572 12.792 56 HE1 TYR 8 1HE TYR 8 8.128 1.862 9.718 57 HE2 TYR 8 2HE TYR 8 4.899 -0.404 11.337 58 HH TYR 8 HH TYR 8 6.608 -1.255 10.135 59 H VAL 9 H VAL 9 6.437 1.492 15.339 60 HA VAL 9 HA VAL 9 9.259 2.282 15.118 61 HB VAL 9 HB VAL 9 8.081 2.023 17.445 62 1HG1 VAL 9 1HG1 VAL 9 7.598 -0.040 18.226 63 2HG1 VAL 9 2HG1 VAL 9 7.490 -0.468 16.502 64 3HG1 VAL 9 3HG1 VAL 9 8.988 -0.790 17.409 65 1HG2 VAL 9 1HG2 VAL 9 10.664 2.061 16.613 66 2HG2 VAL 9 2HG2 VAL 9 10.169 1.943 18.318 67 3HG2 VAL 9 3HG2 VAL 9 10.610 0.473 17.416 68 H GLN 10 H GLN 10 10.720 0.689 14.345 69 HA GLN 10 HA GLN 10 9.610 -1.033 12.472 70 1HB GLN 10 2HB GLN 10 12.121 0.008 12.991 71 2HB GLN 10 1HB GLN 10 12.356 -1.680 13.399 72 1HG GLN 10 2HG GLN 10 11.054 -2.083 11.090 73 2HG GLN 10 1HG GLN 10 11.603 -0.456 10.741 74 1HE2 GLN 10 1HE2 GLN 10 13.276 -0.559 9.455 75 2HE2 GLN 10 2HE2 GLN 10 14.665 -1.578 9.619 76 H THR 11 H THR 11 9.892 -3.453 12.373 77 HA THR 11 HA THR 11 10.168 -4.776 14.939 78 HB THR 11 HB THR 11 7.849 -4.417 15.170 79 HG1 THR 11 1HG THR 11 7.574 -6.610 15.081 80 1HG2 THR 11 1HG2 THR 11 6.664 -5.139 12.677 81 2HG2 THR 11 2HG2 THR 11 6.680 -3.522 13.421 82 3HG2 THR 11 3HG2 THR 11 7.963 -3.988 12.280 83 H THR 12 H THR 12 8.432 -6.083 12.124 84 HA THR 12 HA THR 12 10.846 -7.293 11.085 85 HB THR 12 HB THR 12 10.075 -8.714 13.082 86 HG1 THR 12 1HG THR 12 11.150 -9.365 10.909 87 1HG2 THR 12 1HG2 THR 12 8.107 -10.092 12.827 88 2HG2 THR 12 2HG2 THR 12 7.557 -8.430 12.507 89 3HG2 THR 12 3HG2 THR 12 7.858 -9.544 11.152 90 H LYS 13 H LYS 13 10.678 -7.889 8.943 91 HA LYS 13 HA LYS 13 8.004 -7.700 7.777 92 1HB LYS 13 2HB LYS 13 10.326 -5.918 7.252 93 2HB LYS 13 1HB LYS 13 9.448 -6.482 5.845 94 1HG LYS 13 2HG LYS 13 7.483 -5.379 6.441 95 2HG LYS 13 1HG LYS 13 7.796 -5.511 8.160 96 1HD LYS 13 2HD LYS 13 8.550 -3.375 8.141 97 2HD LYS 13 1HD LYS 13 9.909 -3.902 7.168 98 1HE LYS 13 2HE LYS 13 7.296 -3.428 5.744 99 2HE LYS 13 1HE LYS 13 8.170 -2.018 6.309 100 1HZ LYS 13 1HZ LYS 13 9.624 -4.076 4.857 101 2HZ LYS 13 2HZ LYS 13 8.689 -3.031 4.019 102 3HZ LYS 13 3HZ LYS 13 9.915 -2.471 4.942 103 H SER 14 H SER 14 7.603 -9.232 6.216 104 HA SER 14 HA SER 14 9.727 -10.446 4.817 105 1HB SER 14 2HB SER 14 8.479 -11.892 7.159 106 2HB SER 14 1HB SER 14 8.966 -12.818 5.753 107 HG SER 14 HG SER 14 10.706 -11.013 7.207 108 H TYR 15 H TYR 15 8.881 -11.032 2.837 109 HA TYR 15 HA TYR 15 5.962 -11.358 2.719 110 1HB TYR 15 2HB TYR 15 8.086 -10.586 0.622 111 2HB TYR 15 1HB TYR 15 6.357 -10.578 0.337 112 HD1 TYR 15 1HD TYR 15 4.992 -9.080 2.135 113 HD2 TYR 15 2HD TYR 15 9.099 -8.549 1.060 114 HE1 TYR 15 1HE TYR 15 4.885 -6.656 2.896 115 HE2 TYR 15 2HE TYR 15 8.978 -6.127 1.824 116 HH TYR 15 HH TYR 15 6.522 -4.433 2.053 117 HA PRO 16 HA PRO 16 6.675 -15.401 1.326 118 1HB PRO 16 2HB PRO 16 4.196 -15.991 0.337 119 2HB PRO 16 1HB PRO 16 4.595 -16.083 2.041 120 1HG PRO 16 2HG PRO 16 3.015 -14.031 0.614 121 2HG PRO 16 1HG PRO 16 3.069 -14.377 2.331 122 1HD PRO 16 2HD PRO 16 4.349 -12.194 0.978 123 2HD PRO 16 1HD PRO 16 4.497 -12.608 2.675 124 H SER 17 H SER 17 5.261 -13.093 -0.877 125 HA SER 17 HA SER 17 5.798 -14.656 -3.140 126 1HB SER 17 2HB SER 17 4.402 -13.082 -3.957 127 2HB SER 17 1HB SER 17 4.612 -12.094 -2.526 128 HG SER 17 HG SER 17 5.484 -10.754 -3.991 129 H LYS 18 H LYS 18 7.683 -12.460 -1.116 130 HA LYS 18 HA LYS 18 9.790 -12.334 -3.133 131 1HB LYS 18 2HB LYS 18 8.825 -10.334 -1.692 132 2HB LYS 18 1HB LYS 18 9.936 -10.941 -0.482 133 1HG LYS 18 2HG LYS 18 11.815 -10.797 -2.117 134 2HG LYS 18 1HG LYS 18 10.710 -10.222 -3.349 135 1HD LYS 18 2HD LYS 18 10.787 -8.093 -2.552 136 2HD LYS 18 1HD LYS 18 10.440 -8.618 -0.917 137 1HE LYS 18 2HE LYS 18 12.685 -8.749 -0.324 138 2HE LYS 18 1HE LYS 18 13.199 -9.216 -1.932 139 1HZ LYS 18 1HZ LYS 18 13.107 -7.036 -2.650 140 2HZ LYS 18 2HZ LYS 18 12.167 -6.531 -1.411 141 3HZ LYS 18 3HZ LYS 18 13.737 -6.897 -1.150 142 H LEU 19 H LEU 19 8.872 -14.770 -1.473 143 HA LEU 19 HA LEU 19 11.411 -15.234 -0.081 144 1HB LEU 19 2HB LEU 19 8.636 -15.853 0.506 145 2HB LEU 19 1HB LEU 19 9.633 -17.294 0.533 146 HG LEU 19 HG LEU 19 10.515 -14.838 2.026 147 1HD1 LEU 19 1HD1 LEU 19 8.420 -16.826 2.921 148 2HD1 LEU 19 2HD1 LEU 19 9.346 -15.802 4.044 149 3HD1 LEU 19 3HD1 LEU 19 8.291 -15.054 2.822 150 1HD2 LEU 19 1HD2 LEU 19 12.177 -16.173 2.628 151 2HD2 LEU 19 2HD2 LEU 19 11.010 -17.264 3.411 152 3HD2 LEU 19 3HD2 LEU 19 11.461 -17.518 1.707 153 H ALA 20 H ALA 20 9.459 -16.020 -2.863 154 HA ALA 20 HA ALA 20 9.849 -17.322 -4.610 155 1HB ALA 20 1HB ALA 20 12.036 -17.704 -5.235 156 2HB ALA 20 2HB ALA 20 12.311 -16.506 -3.947 157 3HB ALA 20 3HB ALA 20 12.522 -18.240 -3.609 158 H ARG 21 H ARG 21 9.163 -18.275 -1.623 159 HA ARG 21 HA ARG 21 9.858 -20.992 -1.681 160 1HB ARG 21 2HB ARG 21 8.847 -19.228 0.217 161 2HB ARG 21 1HB ARG 21 7.444 -20.228 -0.109 162 1HG ARG 21 2HG ARG 21 9.648 -22.030 0.080 163 2HG ARG 21 1HG ARG 21 9.855 -20.890 1.394 164 1HD ARG 21 2HD ARG 21 7.959 -21.609 2.504 165 2HD ARG 21 1HD ARG 21 7.056 -21.863 1.024 166 HE ARG 21 HE ARG 21 9.122 -23.816 1.090 167 1HH1 ARG 21 2HH2 ARG 21 6.216 -22.980 2.891 168 2HH1 ARG 21 1HH2 ARG 21 5.908 -24.608 3.397 169 1HH2 ARG 21 2HH1 ARG 21 8.716 -25.963 1.758 170 2HH2 ARG 21 1HH1 ARG 21 7.339 -26.316 2.749 171 H ASN 22 H ASN 22 8.253 -22.830 -1.813 172 HA ASN 22 HA ASN 22 6.742 -22.606 -4.134 173 1HB ASN 22 2HB ASN 22 7.248 -24.673 -2.028 174 2HB ASN 22 1HB ASN 22 5.738 -24.871 -2.895 175 1HD2 ASN 22 1HD2 ASN 22 6.263 -26.635 -4.053 176 2HD2 ASN 22 2HD2 ASN 22 7.466 -26.691 -5.297 177 H GLU 23 H GLU 23 4.935 -21.217 -4.114 178 HA GLU 23 HA GLU 23 2.956 -20.458 -3.644 179 1HB GLU 23 2HB GLU 23 2.484 -22.773 -1.728 180 2HB GLU 23 1HB GLU 23 1.285 -21.867 -2.629 181 1HG GLU 23 2HG GLU 23 1.986 -22.820 -4.733 182 2HG GLU 23 1HG GLU 23 3.469 -23.450 -4.041 183 H SER 24 H SER 24 2.025 -18.941 -2.197 184 HA SER 24 HA SER 24 3.634 -17.871 -0.320 185 1HB SER 24 2HB SER 24 0.990 -17.453 -1.291 186 2HB SER 24 1HB SER 24 0.853 -17.488 0.455 187 HG SER 24 HG SER 24 1.388 -15.353 -0.662 188 H ARG 25 H ARG 25 2.745 -17.551 2.158 189 HA ARG 25 HA ARG 25 2.465 -18.408 4.124 190 1HB ARG 25 2HB ARG 25 0.781 -20.151 2.464 191 2HB ARG 25 1HB ARG 25 1.430 -21.039 3.827 192 1HG ARG 25 2HG ARG 25 0.615 -19.218 5.368 193 2HG ARG 25 1HG ARG 25 -0.084 -18.390 3.991 194 1HD ARG 25 2HD ARG 25 -1.556 -20.342 3.533 195 2HD ARG 25 1HD ARG 25 -0.821 -21.231 4.851 196 HE ARG 25 HE ARG 25 -1.721 -18.797 5.963 197 1HH1 ARG 25 2HH2 ARG 25 -3.139 -21.600 4.377 198 2HH1 ARG 25 1HH2 ARG 25 -4.654 -21.462 5.204 199 1HH2 ARG 25 2HH1 ARG 25 -3.720 -18.613 7.055 200 2HH2 ARG 25 1HH1 ARG 25 -4.988 -19.751 6.738 201 H GLY 26 H GLY 26 4.905 -18.519 4.017 202 1HA GLY 26 2HA GLY 26 5.889 -20.951 5.002 203 2HA GLY 26 1HA GLY 26 6.284 -20.861 3.297 204 H SER 27 H SER 27 8.493 -20.910 4.703 205 HA SER 27 HA SER 27 9.595 -18.361 4.295 206 1HB SER 27 2HB SER 27 9.018 -17.527 6.355 207 2HB SER 27 1HB SER 27 8.772 -19.117 7.052 208 HG SER 27 HG SER 27 11.038 -19.354 7.330 209 H GLY 28 H GLY 28 11.301 -19.228 3.133 210 1HA GLY 28 2HA GLY 28 13.535 -20.272 4.260 211 2HA GLY 28 1HA GLY 28 12.557 -21.692 3.948 212 H SER 29 H SER 29 14.920 -19.702 2.647 213 HA SER 29 HA SER 29 15.271 -20.952 0.362 214 1HB SER 29 2HB SER 29 12.954 -19.081 0.077 215 2HB SER 29 1HB SER 29 14.131 -19.039 -1.221 216 HG SER 29 HG SER 29 12.363 -21.118 -0.443 217 H GLY 30 H GLY 30 16.333 -19.344 -1.447 218 1HA GLY 30 2HA GLY 30 17.417 -16.932 -0.214 219 2HA GLY 30 1HA GLY 30 18.555 -18.220 -0.553 220 H SER 31 H SER 31 15.607 -17.421 -2.470 221 HA SER 31 HA SER 31 16.929 -17.593 -4.870 222 1HB SER 31 2HB SER 31 14.282 -17.072 -3.948 223 2HB SER 31 1HB SER 31 14.674 -15.762 -5.044 224 HG SER 31 HG SER 31 15.411 -18.349 -5.925 225 H LEU 32 H LEU 32 17.248 -15.782 -6.517 226 HA LEU 32 HA LEU 32 18.455 -13.507 -5.143 227 1HB LEU 32 2HB LEU 32 18.991 -15.024 -7.618 228 2HB LEU 32 1HB LEU 32 19.217 -13.291 -7.738 229 HG LEU 32 HG LEU 32 20.709 -13.454 -5.684 230 1HD1 LEU 32 1HD1 LEU 32 20.544 -15.395 -4.572 231 2HD1 LEU 32 2HD1 LEU 32 19.957 -16.284 -5.999 232 3HD1 LEU 32 3HD1 LEU 32 21.701 -15.994 -5.785 233 1HD2 LEU 32 1HD2 LEU 32 21.647 -14.953 -8.143 234 2HD2 LEU 32 2HD2 LEU 32 21.525 -13.181 -8.011 235 3HD2 LEU 32 3HD2 LEU 32 22.652 -14.076 -6.964 236 H PHE 33 H PHE 33 18.414 -11.506 -6.963 237 HA PHE 33 HA PHE 33 16.091 -10.246 -6.637 238 1HB PHE 33 2HB PHE 33 18.068 -10.360 -8.976 239 2HB PHE 33 1HB PHE 33 16.759 -9.194 -8.984 240 HD1 PHE 33 1HD PHE 33 18.908 -7.704 -9.197 241 HD2 PHE 33 2HD PHE 33 17.770 -9.750 -5.659 242 HE1 PHE 33 1HE PHE 33 20.305 -6.125 -7.834 243 HE2 PHE 33 2HE PHE 33 19.167 -8.172 -4.296 244 HZ PHE 33 HZ PHE 33 20.417 -6.377 -5.401 245 H SER 34 H SER 34 16.754 -11.371 -9.998 246 HA SER 34 HA SER 34 14.783 -13.181 -10.287 247 1HB SER 34 2HB SER 34 13.598 -10.633 -9.810 248 2HB SER 34 1HB SER 34 13.380 -10.947 -11.521 249 HG SER 34 HG SER 34 12.144 -12.132 -9.341 250 H PHE 35 H PHE 35 13.653 -12.338 -12.853 251 HA PHE 35 HA PHE 35 15.836 -11.406 -14.458 252 1HB PHE 35 2HB PHE 35 15.247 -13.795 -15.765 253 2HB PHE 35 1HB PHE 35 16.638 -13.579 -14.720 254 HD1 PHE 35 1HD PHE 35 16.460 -14.264 -12.301 255 HD2 PHE 35 2HD PHE 35 13.496 -15.265 -15.168 256 HE1 PHE 35 1HE PHE 35 15.601 -16.068 -10.782 257 HE2 PHE 35 2HE PHE 35 12.636 -17.069 -13.649 258 HZ PHE 35 HZ PHE 35 13.698 -17.449 -11.474 259 H LEU 36 H LEU 36 12.855 -13.480 -14.741 260 HA LEU 36 HA LEU 36 11.484 -11.353 -16.084 261 1HB LEU 36 2HB LEU 36 11.101 -13.230 -18.004 262 2HB LEU 36 1HB LEU 36 12.180 -11.855 -18.126 263 HG LEU 36 HG LEU 36 13.393 -14.238 -16.876 264 1HD1 LEU 36 1HD1 LEU 36 12.148 -15.525 -18.394 265 2HD1 LEU 36 2HD1 LEU 36 12.329 -14.328 -19.699 266 3HD1 LEU 36 3HD1 LEU 36 13.729 -15.296 -19.177 267 1HD2 LEU 36 1HD2 LEU 36 15.313 -13.464 -17.824 268 2HD2 LEU 36 2HD2 LEU 36 14.492 -12.874 -19.289 269 3HD2 LEU 36 3HD2 LEU 36 14.388 -11.944 -17.775 270 H GLY 37 H GLY 37 9.737 -11.440 -14.744 271 1HA GLY 37 2HA GLY 37 7.815 -13.421 -15.014 272 2HA GLY 37 1HA GLY 37 8.767 -13.850 -13.607 273 H LYS 38 H LYS 38 6.557 -11.458 -15.036 274 HA LYS 38 HA LYS 38 5.828 -10.615 -12.377 275 1HB LYS 38 2HB LYS 38 6.483 -8.430 -12.449 276 2HB LYS 38 1HB LYS 38 7.804 -9.152 -13.347 277 1HG LYS 38 2HG LYS 38 5.296 -8.006 -14.663 278 2HG LYS 38 1HG LYS 38 6.773 -7.091 -14.435 279 1HD LYS 38 2HD LYS 38 8.037 -8.747 -15.796 280 2HD LYS 38 1HD LYS 38 6.590 -9.718 -15.985 281 1HE LYS 38 2HE LYS 38 6.360 -6.832 -16.780 282 2HE LYS 38 1HE LYS 38 7.367 -7.838 -17.801 283 1HZ LYS 38 1HZ LYS 38 4.632 -8.570 -17.026 284 2HZ LYS 38 2HZ LYS 38 4.999 -7.789 -18.413 285 3HZ LYS 38 3HZ LYS 38 5.563 -9.299 -18.152 286 H LYS 39 H LYS 39 3.648 -10.588 -12.308 287 HA LYS 39 HA LYS 39 2.193 -9.608 -14.602 288 1HB LYS 39 2HB LYS 39 1.440 -12.349 -13.615 289 2HB LYS 39 1HB LYS 39 0.990 -11.545 -15.105 290 1HG LYS 39 2HG LYS 39 3.334 -11.705 -15.925 291 2HG LYS 39 1HG LYS 39 3.827 -12.449 -14.417 292 1HD LYS 39 2HD LYS 39 1.522 -13.817 -15.679 293 2HD LYS 39 1HD LYS 39 2.951 -13.810 -16.693 294 1HE LYS 39 2HE LYS 39 4.301 -14.759 -14.819 295 2HE LYS 39 1HE LYS 39 2.889 -14.737 -13.781 296 1HZ LYS 39 1HZ LYS 39 2.733 -16.812 -14.584 297 2HZ LYS 39 2HZ LYS 39 1.923 -16.083 -15.801 298 3HZ LYS 39 3HZ LYS 39 3.494 -16.488 -15.993 299 H CYS 40 H CYS 40 1.562 -7.898 -13.227 300 HA CYS 40 HA CYS 40 -0.095 -8.766 -10.972 301 1HB CYS 40 2HB CYS 40 0.586 -5.978 -10.793 302 2HB CYS 40 1HB CYS 40 0.934 -7.277 -9.670 303 HG CYS 40 HG CYS 40 3.113 -5.889 -10.443 304 H VAL 41 H VAL 41 -2.218 -7.871 -10.836 305 HA VAL 41 HA VAL 41 -3.033 -6.401 -13.246 306 HB VAL 41 HB VAL 41 -4.847 -8.024 -11.479 307 1HG1 VAL 41 1HG1 VAL 41 -6.241 -6.904 -12.893 308 2HG1 VAL 41 2HG1 VAL 41 -4.994 -6.709 -14.150 309 3HG1 VAL 41 3HG1 VAL 41 -5.837 -8.266 -13.965 310 1HG2 VAL 41 1HG2 VAL 41 -4.509 -9.973 -12.861 311 2HG2 VAL 41 2HG2 VAL 41 -3.360 -9.095 -13.899 312 3HG2 VAL 41 3HG2 VAL 41 -2.935 -9.458 -12.209 313 H THR 42 H THR 42 -4.422 -4.586 -13.007 314 HA THR 42 HA THR 42 -4.237 -3.382 -10.353 315 HB THR 42 HB THR 42 -4.942 -2.294 -13.129 316 HG1 THR 42 1HG THR 42 -2.714 -2.616 -13.015 317 1HG2 THR 42 1HG2 THR 42 -4.139 -0.139 -11.680 318 2HG2 THR 42 2HG2 THR 42 -5.855 -0.596 -11.811 319 3HG2 THR 42 3HG2 THR 42 -4.914 -1.071 -10.377 320 H MET 43 H MET 43 -6.057 -2.374 -9.318 321 HA MET 43 HA MET 43 -8.512 -3.771 -10.042 322 1HB MET 43 2HB MET 43 -7.098 -3.215 -7.513 323 2HB MET 43 1HB MET 43 -8.754 -2.646 -7.433 324 1HG MET 43 2HG MET 43 -8.862 -5.216 -8.687 325 2HG MET 43 1HG MET 43 -7.762 -5.383 -7.334 326 1HE MET 43 1HE MET 43 -9.847 -4.034 -4.354 327 2HE MET 43 2HE MET 43 -8.235 -4.130 -5.104 328 3HE MET 43 3HE MET 43 -9.323 -2.779 -5.503 329 H SER 44 H SER 44 -7.663 -0.768 -8.169 330 HA SER 44 HA SER 44 -9.423 0.678 -9.970 331 1HB SER 44 2HB SER 44 -10.538 -0.038 -7.722 332 2HB SER 44 1HB SER 44 -9.497 1.156 -6.971 333 HG SER 44 HG SER 44 -11.769 1.512 -8.585 334 H SER 45 H SER 45 -9.143 3.175 -9.567 335 HA SER 45 HA SER 45 -6.437 3.694 -8.640 336 1HB SER 45 2HB SER 45 -5.993 5.130 -10.574 337 2HB SER 45 1HB SER 45 -6.399 3.516 -11.122 338 HG SER 45 HG SER 45 -7.600 4.911 -12.405 339 H ALA 46 H ALA 46 -6.317 5.495 -7.309 340 HA ALA 46 HA ALA 46 -8.387 7.522 -7.543 341 1HB ALA 46 1HB ALA 46 -7.869 6.673 -4.756 342 2HB ALA 46 2HB ALA 46 -9.398 7.115 -5.552 343 3HB ALA 46 3HB ALA 46 -8.737 5.473 -5.743 344 H VAL 47 H VAL 47 -7.547 9.550 -7.218 345 HA VAL 47 HA VAL 47 -4.722 9.718 -6.801 346 HB VAL 47 HB VAL 47 -6.923 11.734 -7.255 347 1HG1 VAL 47 1HG1 VAL 47 -4.982 12.611 -5.850 348 2HG1 VAL 47 2HG1 VAL 47 -3.960 12.354 -7.285 349 3HG1 VAL 47 3HG1 VAL 47 -5.332 13.486 -7.359 350 1HG2 VAL 47 1HG2 VAL 47 -6.559 11.416 -9.436 351 2HG2 VAL 47 2HG2 VAL 47 -4.801 11.610 -9.234 352 3HG2 VAL 47 3HG2 VAL 47 -5.552 10.015 -8.996 353 H VAL 48 H VAL 48 -3.634 10.161 -4.935 354 HA VAL 48 HA VAL 48 -5.117 11.333 -2.728 355 HB VAL 48 HB VAL 48 -4.903 9.607 -1.270 356 1HG1 VAL 48 1HG1 VAL 48 -5.677 7.583 -2.264 357 2HG1 VAL 48 2HG1 VAL 48 -6.298 8.915 -3.269 358 3HG1 VAL 48 3HG1 VAL 48 -4.896 7.964 -3.816 359 1HG2 VAL 48 1HG2 VAL 48 -2.496 8.766 -2.887 360 2HG2 VAL 48 2HG2 VAL 48 -2.588 9.255 -1.178 361 3HG2 VAL 48 3HG2 VAL 48 -3.234 7.677 -1.687 362 H GLN 49 H GLN 49 -3.541 11.910 -0.895 363 HA GLN 49 HA GLN 49 -1.005 12.622 -2.146 364 1HB GLN 49 2HB GLN 49 -2.358 14.078 0.161 365 2HB GLN 49 1HB GLN 49 -0.975 14.624 -0.767 366 1HG GLN 49 2HG GLN 49 -2.278 15.076 -2.700 367 2HG GLN 49 1HG GLN 49 -3.580 14.017 -2.194 368 1HE2 GLN 49 1HE2 GLN 49 -4.933 15.843 -2.685 369 2HE2 GLN 49 2HE2 GLN 49 -5.193 17.090 -1.512 370 H LEU 50 H LEU 50 0.804 11.689 -1.290 371 HA LEU 50 HA LEU 50 0.507 10.099 1.086 372 1HB LEU 50 2HB LEU 50 1.791 9.572 -1.104 373 2HB LEU 50 1HB LEU 50 3.063 10.565 -0.419 374 HG LEU 50 HG LEU 50 3.399 8.149 -0.042 375 1HD1 LEU 50 1HD1 LEU 50 4.417 9.761 1.475 376 2HD1 LEU 50 2HD1 LEU 50 2.955 9.756 2.490 377 3HD1 LEU 50 3HD1 LEU 50 3.944 8.283 2.347 378 1HD2 LEU 50 1HD2 LEU 50 1.501 7.782 2.107 379 2HD2 LEU 50 2HD2 LEU 50 0.664 8.146 0.578 380 3HD2 LEU 50 3HD2 LEU 50 1.803 6.780 0.666 381 H TYR 51 H TYR 51 0.960 10.721 3.131 382 HA TYR 51 HA TYR 51 2.676 13.090 3.441 383 1HB TYR 51 2HB TYR 51 -0.059 12.272 4.498 384 2HB TYR 51 1HB TYR 51 0.974 13.170 5.591 385 HD1 TYR 51 1HD TYR 51 -0.963 13.323 2.466 386 HD2 TYR 51 2HD TYR 51 1.503 15.520 5.187 387 HE1 TYR 51 1HE TYR 51 -1.707 15.503 1.392 388 HE2 TYR 51 2HE TYR 51 0.749 17.693 4.103 389 HH TYR 51 HH TYR 51 -1.865 18.020 2.353 390 H ALA 52 H ALA 52 3.854 13.200 5.487 391 HA ALA 52 HA ALA 52 4.062 10.580 6.801 392 1HB ALA 52 1HB ALA 52 6.362 12.465 6.160 393 2HB ALA 52 2HB ALA 52 6.468 10.836 6.868 394 3HB ALA 52 3HB ALA 52 5.937 11.041 5.183 395 H ALA 53 H ALA 53 3.802 10.664 8.986 396 HA ALA 53 HA ALA 53 3.083 13.065 10.222 397 1HB ALA 53 1HB ALA 53 3.912 10.340 11.287 398 2HB ALA 53 2HB ALA 53 3.279 11.648 12.315 399 3HB ALA 53 3HB ALA 53 2.260 10.951 11.032 400 H ASP 54 H ASP 54 4.802 14.572 9.682 401 HA ASP 54 HA ASP 54 7.444 14.069 10.348 402 1HB ASP 54 2HB ASP 54 5.998 16.108 9.102 403 2HB ASP 54 1HB ASP 54 6.566 16.895 10.561 404 H ARG 55 H ARG 55 8.651 15.553 12.067 405 HA ARG 55 HA ARG 55 7.839 14.848 14.548 406 1HB ARG 55 2HB ARG 55 9.784 16.779 13.388 407 2HB ARG 55 1HB ARG 55 9.284 17.188 15.016 408 1HG ARG 55 2HG ARG 55 10.027 15.069 15.895 409 2HG ARG 55 1HG ARG 55 10.173 14.367 14.296 410 1HD ARG 55 2HD ARG 55 12.085 15.791 13.758 411 2HD ARG 55 1HD ARG 55 11.853 16.748 15.208 412 HE ARG 55 HE ARG 55 12.274 13.874 15.700 413 1HH1 ARG 55 2HH2 ARG 55 13.780 17.039 15.383 414 2HH1 ARG 55 1HH2 ARG 55 15.203 16.591 16.262 415 1HH2 ARG 55 2HH1 ARG 55 14.153 13.283 16.860 416 2HH2 ARG 55 1HH1 ARG 55 15.417 14.439 17.108 417 H ASN 56 H ASN 56 7.580 16.766 16.391 418 HA ASN 56 HA ASN 56 6.132 18.070 17.349 419 1HB ASN 56 2HB ASN 56 6.969 19.452 14.911 420 2HB ASN 56 1HB ASN 56 5.324 19.911 15.306 421 1HD2 ASN 56 1HD2 ASN 56 6.547 21.988 15.550 422 2HD2 ASN 56 2HD2 ASN 56 7.158 22.394 17.118 423 H CYS 57 H CYS 57 5.161 15.740 15.578 424 HA CYS 57 HA CYS 57 3.307 14.881 14.757 425 1HB CYS 57 2HB CYS 57 1.638 16.670 16.504 426 2HB CYS 57 1HB CYS 57 1.432 14.969 16.134 427 HG CYS 57 HG CYS 57 3.967 14.463 17.240 428 H MET 58 H MET 58 3.664 15.857 12.617 429 HA MET 58 HA MET 58 1.464 17.483 11.867 430 1HB MET 58 2HB MET 58 4.201 18.625 12.253 431 2HB MET 58 1HB MET 58 3.497 18.997 10.692 432 1HG MET 58 2HG MET 58 1.547 19.337 12.879 433 2HG MET 58 1HG MET 58 2.970 20.331 13.116 434 1HE MET 58 1HE MET 58 2.202 19.771 9.079 435 2HE MET 58 2HE MET 58 1.277 18.783 10.236 436 3HE MET 58 3HE MET 58 0.470 20.089 9.335 437 H TRP 59 H TRP 59 0.810 16.148 10.214 438 HA TRP 59 HA TRP 59 2.392 14.467 8.751 439 1HB TRP 59 2HB TRP 59 -0.067 15.852 7.684 440 2HB TRP 59 1HB TRP 59 0.573 14.289 7.218 441 HD1 TRP 59 HD TRP 59 -1.590 15.924 9.906 442 HE1 TRP 59 1HE TRP 59 -2.709 14.133 11.487 443 HE3 TRP 59 3HE TRP 59 1.073 11.957 8.167 444 HZ2 TRP 59 2HZ TRP 59 -2.362 11.320 11.826 445 HZ3 TRP 59 3HZ TRP 59 0.622 9.723 9.177 446 HH2 TRP 59 HH TRP 59 -1.028 9.370 10.946 447 H SER 60 H SER 60 3.410 14.624 6.658 448 HA SER 60 HA SER 60 3.634 17.312 5.609 449 1HB SER 60 2HB SER 60 5.585 16.688 7.226 450 2HB SER 60 1HB SER 60 6.113 15.593 5.964 451 HG SER 60 HG SER 60 7.188 17.550 5.621 452 H LYS 61 H LYS 61 2.932 17.090 3.516 453 HA LYS 61 HA LYS 61 2.748 14.653 2.204 454 1HB LYS 61 2HB LYS 61 1.326 16.139 1.263 455 2HB LYS 61 1HB LYS 61 2.378 17.511 1.547 456 1HG LYS 61 2HG LYS 61 3.021 15.394 -0.549 457 2HG LYS 61 1HG LYS 61 2.025 16.789 -0.916 458 1HD LYS 61 2HD LYS 61 4.288 17.846 0.431 459 2HD LYS 61 1HD LYS 61 4.936 16.619 -0.638 460 1HE LYS 61 2HE LYS 61 4.265 17.734 -2.572 461 2HE LYS 61 1HE LYS 61 2.859 18.448 -1.807 462 1HZ LYS 61 1HZ LYS 61 4.356 19.905 -0.593 463 2HZ LYS 61 2HZ LYS 61 5.647 19.260 -1.357 464 3HZ LYS 61 3HZ LYS 61 4.527 20.092 -2.206 465 H LYS 62 H LYS 62 4.011 13.604 0.632 466 HA LYS 62 HA LYS 62 6.768 14.611 0.500 467 1HB LYS 62 2HB LYS 62 5.761 12.117 1.389 468 2HB LYS 62 1HB LYS 62 6.530 11.811 -0.155 469 1HG LYS 62 2HG LYS 62 8.414 13.449 0.925 470 2HG LYS 62 1HG LYS 62 7.741 12.803 2.409 471 1HD LYS 62 2HD LYS 62 8.190 10.506 1.702 472 2HD LYS 62 1HD LYS 62 8.638 11.032 0.091 473 1HE LYS 62 2HE LYS 62 10.585 12.282 1.026 474 2HE LYS 62 1HE LYS 62 10.129 11.798 2.647 475 1HZ LYS 62 1HZ LYS 62 10.216 9.460 1.388 476 2HZ LYS 62 2HZ LYS 62 11.394 10.263 0.593 477 3HZ LYS 62 3HZ LYS 62 11.472 10.097 2.215 478 H CYS 63 H CYS 63 4.009 13.136 -1.273 479 HA CYS 63 HA CYS 63 4.533 14.572 -3.577 480 1HB CYS 63 2HB CYS 63 6.087 12.087 -3.380 481 2HB CYS 63 1HB CYS 63 5.082 12.151 -4.814 482 HG CYS 63 HG CYS 63 5.825 14.883 -5.079 483 H SER 64 H SER 64 2.556 14.597 -4.628 484 HA SER 64 HA SER 64 0.750 12.421 -3.925 485 1HB SER 64 2HB SER 64 -0.487 14.821 -5.104 486 2HB SER 64 1HB SER 64 -0.910 13.952 -3.642 487 HG SER 64 HG SER 64 -0.195 16.040 -3.060 488 H GLY 65 H GLY 65 -1.013 12.044 -5.718 489 1HA GLY 65 2HA GLY 65 -0.805 12.752 -8.336 490 2HA GLY 65 1HA GLY 65 0.382 11.475 -8.168 491 H VAL 66 H VAL 66 -0.930 10.134 -9.610 492 HA VAL 66 HA VAL 66 -3.526 9.341 -8.581 493 HB VAL 66 HB VAL 66 -2.102 8.348 -11.047 494 1HG1 VAL 66 1HG1 VAL 66 -4.222 7.231 -10.096 495 2HG1 VAL 66 2HG1 VAL 66 -5.074 8.698 -10.634 496 3HG1 VAL 66 3HG1 VAL 66 -4.217 7.681 -11.817 497 1HG2 VAL 66 1HG2 VAL 66 -2.082 10.512 -11.708 498 2HG2 VAL 66 2HG2 VAL 66 -3.812 10.225 -12.016 499 3HG2 VAL 66 3HG2 VAL 66 -3.296 11.005 -10.502 500 H ALA 67 H ALA 67 -3.852 7.558 -7.348 501 HA ALA 67 HA ALA 67 -1.630 5.633 -7.234 502 1HB ALA 67 1HB ALA 67 -2.441 7.227 -5.198 503 2HB ALA 67 2HB ALA 67 -3.553 5.856 -4.965 504 3HB ALA 67 3HB ALA 67 -1.794 5.587 -4.952 505 H CYS 68 H CYS 68 -2.132 3.437 -7.410 506 HA CYS 68 HA CYS 68 -4.965 2.792 -7.653 507 1HB CYS 68 2HB CYS 68 -4.544 1.444 -9.671 508 2HB CYS 68 1HB CYS 68 -4.238 3.148 -9.944 509 HG CYS 68 HG CYS 68 -2.027 0.818 -9.123 510 H LEU 69 H LEU 69 -5.423 0.583 -7.029 511 HA LEU 69 HA LEU 69 -3.250 -0.597 -5.485 512 1HB LEU 69 2HB LEU 69 -5.501 -0.033 -4.492 513 2HB LEU 69 1HB LEU 69 -6.181 -1.313 -5.477 514 HG LEU 69 HG LEU 69 -3.858 -2.086 -3.802 515 1HD1 LEU 69 1HD1 LEU 69 -5.561 -0.445 -2.522 516 2HD1 LEU 69 2HD1 LEU 69 -6.416 -1.991 -2.304 517 3HD1 LEU 69 3HD1 LEU 69 -4.738 -1.816 -1.738 518 1HD2 LEU 69 1HD2 LEU 69 -5.539 -4.002 -3.334 519 2HD2 LEU 69 2HD2 LEU 69 -6.469 -3.295 -4.677 520 3HD2 LEU 69 3HD2 LEU 69 -4.804 -3.866 -4.950 521 H VAL 70 H VAL 70 -2.033 -2.134 -6.431 522 HA VAL 70 HA VAL 70 -3.231 -3.614 -8.648 523 HB VAL 70 HB VAL 70 -0.349 -3.390 -7.759 524 1HG1 VAL 70 1HG1 VAL 70 -0.589 -5.388 -9.014 525 2HG1 VAL 70 2HG1 VAL 70 -1.676 -4.613 -10.190 526 3HG1 VAL 70 3HG1 VAL 70 0.048 -4.176 -10.151 527 1HG2 VAL 70 1HG2 VAL 70 -0.707 -2.082 -10.225 528 2HG2 VAL 70 2HG2 VAL 70 -2.040 -1.522 -9.187 529 3HG2 VAL 70 3HG2 VAL 70 -0.354 -1.342 -8.645 530 H LYS 71 H LYS 71 -3.238 -5.912 -8.694 531 HA LYS 71 HA LYS 71 -2.491 -7.197 -6.175 532 1HB LYS 71 2HB LYS 71 -4.549 -8.086 -5.764 533 2HB LYS 71 1HB LYS 71 -5.041 -6.570 -6.493 534 1HG LYS 71 2HG LYS 71 -5.284 -7.684 -8.703 535 2HG LYS 71 1HG LYS 71 -4.725 -9.198 -8.020 536 1HD LYS 71 2HD LYS 71 -6.990 -7.970 -6.533 537 2HD LYS 71 1HD LYS 71 -7.381 -8.410 -8.184 538 1HE LYS 71 2HE LYS 71 -6.521 -10.725 -7.772 539 2HE LYS 71 1HE LYS 71 -6.127 -10.286 -6.121 540 1HZ LYS 71 1HZ LYS 71 -8.182 -11.019 -5.752 541 2HZ LYS 71 2HZ LYS 71 -8.665 -9.546 -6.264 542 3HZ LYS 71 3HZ LYS 71 -8.687 -10.816 -7.291 543 H ASP 72 H ASP 72 -1.389 -9.092 -6.452 544 HA ASP 72 HA ASP 72 -0.949 -9.842 -9.200 545 1HB ASP 72 2HB ASP 72 0.477 -10.119 -6.608 546 2HB ASP 72 1HB ASP 72 0.578 -11.552 -7.611 547 H ASN 73 H ASN 73 -2.298 -11.446 -10.027 548 HA ASN 73 HA ASN 73 -3.786 -13.073 -8.251 549 1HB ASN 73 2HB ASN 73 -3.752 -12.421 -11.120 550 2HB ASN 73 1HB ASN 73 -3.988 -14.141 -10.881 551 1HD2 ASN 73 1HD2 ASN 73 -5.223 -10.937 -10.291 552 2HD2 ASN 73 2HD2 ASN 73 -6.832 -11.369 -9.819 553 HA PRO 74 HA PRO 74 -0.771 -16.240 -10.203 554 1HB PRO 74 2HB PRO 74 1.445 -15.325 -11.517 555 2HB PRO 74 1HB PRO 74 -0.033 -15.788 -12.338 556 1HG PRO 74 2HG PRO 74 1.021 -13.078 -11.806 557 2HG PRO 74 1HG PRO 74 -0.197 -13.574 -12.964 558 1HD PRO 74 2HD PRO 74 -0.651 -12.273 -10.449 559 2HD PRO 74 1HD PRO 74 -1.871 -12.874 -11.553 560 H GLN 75 H GLN 75 0.861 -13.328 -9.118 561 HA GLN 75 HA GLN 75 2.805 -14.855 -7.734 562 1HB GLN 75 2HB GLN 75 2.317 -12.062 -8.384 563 2HB GLN 75 1HB GLN 75 2.727 -12.207 -6.687 564 1HG GLN 75 2HG GLN 75 4.351 -13.423 -8.973 565 2HG GLN 75 1HG GLN 75 4.742 -11.917 -8.167 566 1HE2 GLN 75 1HE2 GLN 75 4.877 -15.327 -8.088 567 2HE2 GLN 75 2HE2 GLN 75 5.693 -15.543 -6.575 568 H ARG 76 H ARG 76 -0.386 -13.482 -7.033 569 HA ARG 76 HA ARG 76 -1.728 -13.755 -5.357 570 1HB ARG 76 2HB ARG 76 0.330 -15.512 -3.939 571 2HB ARG 76 1HB ARG 76 -1.406 -15.513 -3.697 572 1HG ARG 76 2HG ARG 76 -1.663 -17.046 -5.346 573 2HG ARG 76 1HG ARG 76 -0.930 -15.953 -6.504 574 1HD ARG 76 2HD ARG 76 1.249 -16.845 -6.172 575 2HD ARG 76 1HD ARG 76 0.845 -17.515 -4.604 576 HE ARG 76 HE ARG 76 -0.837 -18.774 -6.525 577 1HH1 ARG 76 2HH2 ARG 76 2.577 -18.615 -5.685 578 2HH1 ARG 76 1HH2 ARG 76 2.930 -20.197 -6.294 579 1HH2 ARG 76 2HH1 ARG 76 -0.370 -20.862 -7.329 580 2HH2 ARG 76 1HH1 ARG 76 1.243 -21.483 -7.236 581 H SER 77 H SER 77 -0.479 -11.404 -5.310 582 HA SER 77 HA SER 77 -0.181 -10.902 -2.522 583 1HB SER 77 2HB SER 77 2.038 -10.200 -2.447 584 2HB SER 77 1HB SER 77 2.161 -11.548 -3.560 585 HG SER 77 HG SER 77 2.114 -10.065 -5.339 586 H TYR 78 H TYR 78 0.073 -8.421 -2.161 587 HA TYR 78 HA TYR 78 -1.123 -6.985 -4.433 588 1HB TYR 78 2HB TYR 78 -1.600 -6.640 -1.410 589 2HB TYR 78 1HB TYR 78 -2.495 -5.834 -2.682 590 HD1 TYR 78 1HD TYR 78 -3.354 -7.772 -0.289 591 HD2 TYR 78 2HD TYR 78 -2.898 -8.233 -4.519 592 HE1 TYR 78 1HE TYR 78 -5.070 -9.649 -0.278 593 HE2 TYR 78 2HE TYR 78 -4.614 -10.108 -4.493 594 HH TYR 78 HH TYR 78 -5.683 -11.531 -1.573 595 H PHE 79 H PHE 79 -0.285 -4.962 -4.889 596 HA PHE 79 HA PHE 79 1.673 -3.923 -2.973 597 1HB PHE 79 2HB PHE 79 1.833 -4.207 -6.034 598 2HB PHE 79 1HB PHE 79 3.002 -3.300 -5.094 599 HD1 PHE 79 1HD PHE 79 2.065 -6.526 -6.319 600 HD2 PHE 79 2HD PHE 79 4.363 -4.558 -3.343 601 HE1 PHE 79 1HE PHE 79 3.408 -8.618 -5.971 602 HE2 PHE 79 2HE PHE 79 5.705 -6.650 -2.996 603 HZ PHE 79 HZ PHE 79 5.211 -8.655 -4.314 604 H LEU 80 H LEU 80 1.632 -1.697 -2.679 605 HA LEU 80 HA LEU 80 -0.358 -0.281 -4.311 606 1HB LEU 80 2HB LEU 80 -0.186 -0.641 -1.532 607 2HB LEU 80 1HB LEU 80 0.310 1.016 -1.819 608 HG LEU 80 HG LEU 80 -1.996 0.623 -3.403 609 1HD1 LEU 80 1HD1 LEU 80 -3.675 -0.097 -1.767 610 2HD1 LEU 80 2HD1 LEU 80 -2.506 -1.390 -2.129 611 3HD1 LEU 80 3HD1 LEU 80 -2.381 -0.478 -0.605 612 1HD2 LEU 80 1HD2 LEU 80 -1.131 2.257 -1.100 613 2HD2 LEU 80 2HD2 LEU 80 -1.913 2.732 -2.627 614 3HD2 LEU 80 3HD2 LEU 80 -2.891 2.075 -1.294 615 H ARG 81 H ARG 81 0.415 1.235 -5.674 616 HA ARG 81 HA ARG 81 2.901 2.509 -4.897 617 1HB ARG 81 2HB ARG 81 2.380 1.816 -7.808 618 2HB ARG 81 1HB ARG 81 3.908 2.190 -7.036 619 1HG ARG 81 2HG ARG 81 3.627 0.029 -5.671 620 2HG ARG 81 1HG ARG 81 2.263 -0.358 -6.702 621 1HD ARG 81 2HD ARG 81 3.598 -0.879 -8.507 622 2HD ARG 81 1HD ARG 81 4.717 0.433 -8.192 623 HE ARG 81 HE ARG 81 5.992 -0.985 -6.787 624 1HH1 ARG 81 2HH2 ARG 81 2.988 -2.555 -7.732 625 2HH1 ARG 81 1HH2 ARG 81 3.476 -4.116 -7.162 626 1HH2 ARG 81 2HH1 ARG 81 6.636 -3.043 -6.035 627 2HH2 ARG 81 1HH1 ARG 81 5.565 -4.396 -6.190 628 H ILE 82 H ILE 82 3.199 4.679 -5.910 629 HA ILE 82 HA ILE 82 0.667 5.754 -6.942 630 HB ILE 82 HB ILE 82 2.502 6.769 -4.809 631 1HG1 ILE 82 2HG1 ILE 82 -0.478 7.088 -4.886 632 2HG1 ILE 82 1HG1 ILE 82 0.191 5.498 -4.578 633 1HG2 ILE 82 1HG2 ILE 82 2.588 8.656 -6.173 634 2HG2 ILE 82 2HG2 ILE 82 0.918 8.441 -6.750 635 3HG2 ILE 82 3HG2 ILE 82 1.220 8.990 -5.084 636 1HD1 ILE 82 1HD1 ILE 82 0.395 6.141 -2.410 637 2HD1 ILE 82 2HD1 ILE 82 1.740 7.176 -2.945 638 3HD1 ILE 82 3HD1 ILE 82 0.096 7.848 -2.820 639 H PHE 83 H PHE 83 0.810 7.257 -8.651 640 HA PHE 83 HA PHE 83 3.515 7.519 -9.763 641 1HB PHE 83 2HB PHE 83 1.664 7.735 -11.869 642 2HB PHE 83 1HB PHE 83 2.568 6.284 -11.488 643 HD1 PHE 83 1HD PHE 83 1.420 4.957 -9.373 644 HD2 PHE 83 2HD PHE 83 -0.586 7.419 -12.186 645 HE1 PHE 83 1HE PHE 83 -0.726 3.745 -8.903 646 HE2 PHE 83 2HE PHE 83 -2.733 6.207 -11.716 647 HZ PHE 83 HZ PHE 83 -2.777 4.383 -10.080 648 H ASP 84 H ASP 84 4.071 9.528 -10.693 649 HA ASP 84 HA ASP 84 2.652 11.704 -9.632 650 1HB ASP 84 2HB ASP 84 5.188 11.462 -10.224 651 2HB ASP 84 1HB ASP 84 4.713 11.843 -11.867 652 H ILE 85 H ILE 85 1.858 13.582 -11.083 653 HA ILE 85 HA ILE 85 0.510 12.451 -13.426 654 HB ILE 85 HB ILE 85 -1.018 13.211 -11.772 655 1HG1 ILE 85 2HG1 ILE 85 -0.964 15.428 -13.821 656 2HG1 ILE 85 1HG1 ILE 85 -1.350 13.777 -14.262 657 1HG2 ILE 85 1HG2 ILE 85 -0.872 15.865 -11.358 658 2HG2 ILE 85 2HG2 ILE 85 -0.107 14.659 -10.295 659 3HG2 ILE 85 3HG2 ILE 85 0.860 15.495 -11.534 660 1HD1 ILE 85 1HD1 ILE 85 -3.010 15.758 -12.891 661 2HD1 ILE 85 2HD1 ILE 85 -3.485 14.213 -13.635 662 3HD1 ILE 85 3HD1 ILE 85 -2.903 14.249 -11.954 663 H LYS 86 H LYS 86 3.161 14.360 -12.469 664 HA LYS 86 HA LYS 86 3.079 15.813 -15.020 665 1HB LYS 86 2HB LYS 86 3.578 16.702 -12.344 666 2HB LYS 86 1HB LYS 86 5.062 16.873 -13.259 667 1HG LYS 86 2HG LYS 86 3.233 17.800 -15.099 668 2HG LYS 86 1HG LYS 86 2.446 18.272 -13.605 669 1HD LYS 86 2HD LYS 86 4.704 19.294 -12.884 670 2HD LYS 86 1HD LYS 86 5.253 19.030 -14.528 671 1HE LYS 86 2HE LYS 86 3.620 20.539 -15.441 672 2HE LYS 86 1HE LYS 86 2.668 20.535 -13.970 673 1HZ LYS 86 1HZ LYS 86 5.234 21.837 -14.454 674 2HZ LYS 86 2HZ LYS 86 3.854 22.481 -13.863 675 3HZ LYS 86 3HZ LYS 86 4.762 21.499 -12.927 676 H ASP 87 H ASP 87 5.039 13.814 -12.762 677 HA ASP 87 HA ASP 87 7.107 13.664 -14.762 678 1HB ASP 87 2HB ASP 87 6.983 13.461 -11.912 679 2HB ASP 87 1HB ASP 87 7.471 11.879 -12.484 680 H GLY 88 H GLY 88 4.206 12.072 -13.797 681 1HA GLY 88 2HA GLY 88 3.321 10.024 -14.146 682 2HA GLY 88 1HA GLY 88 4.116 10.152 -15.702 683 H LYS 89 H LYS 89 5.591 9.867 -12.404 684 HA LYS 89 HA LYS 89 6.562 7.215 -13.176 685 1HB LYS 89 2HB LYS 89 8.186 9.627 -12.449 686 2HB LYS 89 1HB LYS 89 8.741 8.051 -11.923 687 1HG LYS 89 2HG LYS 89 7.966 7.662 -14.619 688 2HG LYS 89 1HG LYS 89 8.767 9.221 -14.615 689 1HD LYS 89 2HD LYS 89 10.796 8.301 -13.695 690 2HD LYS 89 1HD LYS 89 10.005 6.806 -13.236 691 1HE LYS 89 2HE LYS 89 9.848 6.049 -15.502 692 2HE LYS 89 1HE LYS 89 10.116 7.653 -16.153 693 1HZ LYS 89 1HZ LYS 89 12.347 7.395 -14.881 694 2HZ LYS 89 2HZ LYS 89 12.044 5.798 -15.040 695 3HZ LYS 89 3HZ LYS 89 12.160 6.742 -16.367 696 H LEU 90 H LEU 90 7.636 6.166 -11.095 697 HA LEU 90 HA LEU 90 5.569 6.096 -9.167 698 1HB LEU 90 2HB LEU 90 7.680 4.473 -9.991 699 2HB LEU 90 1HB LEU 90 8.086 4.906 -8.342 700 HG LEU 90 HG LEU 90 5.284 4.104 -8.630 701 1HD1 LEU 90 1HD1 LEU 90 7.259 2.541 -10.045 702 2HD1 LEU 90 2HD1 LEU 90 6.550 1.603 -8.710 703 3HD1 LEU 90 3HD1 LEU 90 5.495 2.330 -9.945 704 1HD2 LEU 90 1HD2 LEU 90 5.617 3.099 -6.587 705 2HD2 LEU 90 2HD2 LEU 90 7.321 2.711 -6.928 706 3HD2 LEU 90 3HD2 LEU 90 6.848 4.385 -6.547 707 H LEU 91 H LEU 91 5.267 7.298 -7.363 708 HA LEU 91 HA LEU 91 7.533 8.978 -6.541 709 1HB LEU 91 2HB LEU 91 4.578 9.478 -6.666 710 2HB LEU 91 1HB LEU 91 5.577 10.361 -5.529 711 HG LEU 91 HG LEU 91 5.879 10.340 -8.544 712 1HD1 LEU 91 1HD1 LEU 91 4.269 11.880 -8.445 713 2HD1 LEU 91 2HD1 LEU 91 4.386 12.017 -6.674 714 3HD1 LEU 91 3HD1 LEU 91 5.493 12.945 -7.712 715 1HD2 LEU 91 1HD2 LEU 91 7.466 12.361 -7.774 716 2HD2 LEU 91 2HD2 LEU 91 7.684 11.276 -6.380 717 3HD2 LEU 91 3HD2 LEU 91 8.052 10.699 -8.023 718 H TRP 92 H TRP 92 5.411 6.368 -5.733 719 HA TRP 92 HA TRP 92 6.688 6.091 -3.194 720 1HB TRP 92 2HB TRP 92 5.084 7.691 -2.459 721 2HB TRP 92 1HB TRP 92 3.778 6.882 -3.305 722 HD1 TRP 92 HD TRP 92 6.011 6.408 -0.173 723 HE1 TRP 92 1HE TRP 92 4.875 4.772 1.557 724 HE3 TRP 92 3HE TRP 92 2.132 5.078 -3.180 725 HZ2 TRP 92 2HZ TRP 92 2.534 3.141 1.476 726 HZ3 TRP 92 3HZ TRP 92 0.465 3.459 -2.277 727 HH2 TRP 92 HH TRP 92 0.620 2.499 -0.035 728 H GLU 93 H GLU 93 6.445 3.909 -2.437 729 HA GLU 93 HA GLU 93 4.606 2.227 -3.848 730 1HB GLU 93 2HB GLU 93 6.056 1.136 -5.210 731 2HB GLU 93 1HB GLU 93 7.135 2.492 -4.952 732 1HG GLU 93 2HG GLU 93 8.078 1.287 -2.925 733 2HG GLU 93 1HG GLU 93 7.077 -0.094 -3.327 734 H GLN 94 H GLN 94 3.911 0.552 -2.528 735 HA GLN 94 HA GLN 94 5.552 0.057 -0.171 736 1HB GLN 94 2HB GLN 94 3.188 1.438 -0.058 737 2HB GLN 94 1HB GLN 94 2.595 -0.199 0.146 738 1HG GLN 94 2HG GLN 94 4.515 1.351 1.902 739 2HG GLN 94 1HG GLN 94 3.060 0.490 2.364 740 1HE2 GLN 94 1HE2 GLN 94 3.047 -1.813 2.336 741 2HE2 GLN 94 2HE2 GLN 94 4.503 -2.722 2.570 742 H GLU 95 H GLU 95 5.802 -2.113 0.400 743 HA GLU 95 HA GLU 95 4.546 -3.962 -1.455 744 1HB GLU 95 2HB GLU 95 7.090 -4.043 0.186 745 2HB GLU 95 1HB GLU 95 6.382 -5.534 -0.402 746 1HG GLU 95 2HG GLU 95 6.683 -4.942 -2.679 747 2HG GLU 95 1HG GLU 95 6.791 -3.228 -2.325 748 H LEU 96 H LEU 96 2.489 -4.182 -0.432 749 HA LEU 96 HA LEU 96 1.910 -4.406 2.181 750 1HB LEU 96 2HB LEU 96 0.680 -6.217 0.114 751 2HB LEU 96 1HB LEU 96 -0.062 -5.556 1.558 752 HG LEU 96 HG LEU 96 0.619 -4.131 -1.014 753 1HD1 LEU 96 1HD1 LEU 96 -1.504 -4.626 -1.449 754 2HD1 LEU 96 2HD1 LEU 96 -1.784 -5.209 0.210 755 3HD1 LEU 96 3HD1 LEU 96 -1.955 -3.478 -0.166 756 1HD2 LEU 96 1HD2 LEU 96 -0.444 -2.121 0.346 757 2HD2 LEU 96 2HD2 LEU 96 0.282 -2.985 1.722 758 3HD2 LEU 96 3HD2 LEU 96 1.306 -2.451 0.369 759 H TYR 97 H TYR 97 1.701 -6.121 3.737 760 HA TYR 97 HA TYR 97 3.421 -8.430 3.121 761 1HB TYR 97 2HB TYR 97 3.587 -8.084 5.846 762 2HB TYR 97 1HB TYR 97 4.699 -7.295 4.746 763 HD1 TYR 97 1HD TYR 97 1.731 -6.821 6.883 764 HD2 TYR 97 2HD TYR 97 4.586 -4.903 4.338 765 HE1 TYR 97 1HE TYR 97 0.988 -4.549 7.750 766 HE2 TYR 97 2HE TYR 97 3.834 -2.638 5.214 767 HH TYR 97 HH TYR 97 1.892 -2.328 7.975 768 H ASN 98 H ASN 98 2.959 -10.370 4.503 769 HA ASN 98 HA ASN 98 0.512 -11.290 4.242 770 1HB ASN 98 2HB ASN 98 2.691 -12.346 5.333 771 2HB ASN 98 1HB ASN 98 1.964 -11.868 6.854 772 1HD2 ASN 98 1HD2 ASN 98 2.512 -14.496 5.482 773 2HD2 ASN 98 2HD2 ASN 98 1.026 -15.382 5.555 774 H ASN 99 H ASN 99 -1.331 -11.656 5.842 775 HA ASN 99 HA ASN 99 -2.952 -10.713 6.973 776 1HB ASN 99 2HB ASN 99 -0.581 -10.919 8.763 777 2HB ASN 99 1HB ASN 99 -1.803 -9.813 9.359 778 1HD2 ASN 99 1HD2 ASN 99 -1.693 -11.612 11.024 779 2HD2 ASN 99 2HD2 ASN 99 -2.831 -12.908 10.866 780 H PHE 100 H PHE 100 -2.646 -8.833 5.216 781 HA PHE 100 HA PHE 100 -1.629 -6.384 6.377 782 1HB PHE 100 2HB PHE 100 -1.201 -7.043 3.987 783 2HB PHE 100 1HB PHE 100 -2.924 -7.180 3.701 784 HD1 PHE 100 1HD PHE 100 -0.413 -4.661 4.834 785 HD2 PHE 100 2HD PHE 100 -4.025 -5.396 2.732 786 HE1 PHE 100 1HE PHE 100 -0.486 -2.256 4.120 787 HE2 PHE 100 2HE PHE 100 -4.098 -2.990 2.018 788 HZ PHE 100 HZ PHE 100 -2.328 -1.450 2.721 789 H VAL 101 H VAL 101 -2.869 -4.671 7.101 790 HA VAL 101 HA VAL 101 -5.774 -4.978 6.797 791 HB VAL 101 HB VAL 101 -5.100 -5.635 9.035 792 1HG1 VAL 101 1HG1 VAL 101 -3.513 -4.622 10.248 793 2HG1 VAL 101 2HG1 VAL 101 -3.117 -3.703 8.775 794 3HG1 VAL 101 3HG1 VAL 101 -4.226 -3.012 9.985 795 1HG2 VAL 101 1HG2 VAL 101 -6.707 -4.418 10.191 796 2HG2 VAL 101 2HG2 VAL 101 -6.284 -2.889 9.382 797 3HG2 VAL 101 3HG2 VAL 101 -7.180 -4.146 8.495 798 H TYR 102 H TYR 102 -6.971 -2.898 6.897 799 HA TYR 102 HA TYR 102 -5.248 -0.677 6.019 800 1HB TYR 102 2HB TYR 102 -7.134 -2.129 4.577 801 2HB TYR 102 1HB TYR 102 -8.175 -0.911 5.288 802 HD1 TYR 102 1HD TYR 102 -4.649 -0.480 4.132 803 HD2 TYR 102 2HD TYR 102 -8.776 0.399 3.423 804 HE1 TYR 102 1HE TYR 102 -3.994 1.155 2.298 805 HE2 TYR 102 2HE TYR 102 -8.107 2.031 1.593 806 HH TYR 102 HH TYR 102 -6.406 3.189 0.751 807 H ASN 103 H ASN 103 -5.223 0.959 7.473 808 HA ASN 103 HA ASN 103 -7.358 1.082 9.384 809 1HB ASN 103 2HB ASN 103 -4.623 2.320 9.062 810 2HB ASN 103 1HB ASN 103 -5.784 3.213 10.025 811 1HD2 ASN 103 1HD2 ASN 103 -3.280 1.637 10.610 812 2HD2 ASN 103 2HD2 ASN 103 -3.694 0.565 11.906 813 H SER 104 H SER 104 -8.845 2.869 9.534 814 HA SER 104 HA SER 104 -8.470 5.118 7.824 815 1HB SER 104 2HB SER 104 -10.345 4.841 6.398 816 2HB SER 104 1HB SER 104 -9.559 3.275 6.383 817 HG SER 104 HG SER 104 -11.153 2.875 8.319 818 HA PRO 105 HA PRO 105 -10.774 5.748 11.710 819 1HB PRO 105 2HB PRO 105 -9.054 7.508 12.898 820 2HB PRO 105 1HB PRO 105 -9.025 5.782 13.206 821 1HG PRO 105 2HG PRO 105 -7.167 7.406 11.576 822 2HG PRO 105 1HG PRO 105 -6.931 5.802 12.238 823 1HD PRO 105 2HD PRO 105 -7.537 6.461 9.514 824 2HD PRO 105 1HD PRO 105 -7.415 4.853 10.201 825 H ARG 106 H ARG 106 -9.852 7.484 9.058 826 HA ARG 106 HA ARG 106 -11.477 9.717 9.975 827 1HB ARG 106 2HB ARG 106 -8.920 9.732 8.831 828 2HB ARG 106 1HB ARG 106 -9.949 10.100 7.461 829 1HG ARG 106 2HG ARG 106 -9.287 12.187 8.581 830 2HG ARG 106 1HG ARG 106 -11.016 11.954 8.744 831 1HD ARG 106 2HD ARG 106 -9.370 10.758 10.935 832 2HD ARG 106 1HD ARG 106 -9.331 12.508 10.850 833 HE ARG 106 HE ARG 106 -11.639 10.842 11.555 834 1HH1 ARG 106 2HH2 ARG 106 -10.601 13.998 10.397 835 2HH1 ARG 106 1HH2 ARG 106 -12.046 14.804 10.913 836 1HH2 ARG 106 2HH1 ARG 106 -13.545 11.904 12.236 837 2HH2 ARG 106 1HH1 ARG 106 -13.731 13.605 11.965 838 H GLY 107 H GLY 107 -12.215 10.885 7.559 839 1HA GLY 107 2HA GLY 107 -14.191 9.025 6.593 840 2HA GLY 107 1HA GLY 107 -13.991 10.709 6.149 841 H TYR 108 H TYR 108 -11.273 10.735 5.286 842 HA TYR 108 HA TYR 108 -11.138 8.693 3.207 843 1HB TYR 108 2HB TYR 108 -10.842 10.536 1.528 844 2HB TYR 108 1HB TYR 108 -12.389 10.718 2.332 845 HD1 TYR 108 1HD TYR 108 -12.330 12.269 4.508 846 HD2 TYR 108 2HD TYR 108 -9.470 12.402 1.329 847 HE1 TYR 108 1HE TYR 108 -11.703 14.644 5.163 848 HE2 TYR 108 2HE TYR 108 -8.852 14.777 1.995 849 HH TYR 108 HH TYR 108 -10.699 16.513 4.397 850 H PHE 109 H PHE 109 -9.587 8.846 5.568 851 HA PHE 109 HA PHE 109 -7.004 9.473 4.366 852 1HB PHE 109 2HB PHE 109 -8.070 11.277 6.015 853 2HB PHE 109 1HB PHE 109 -7.733 10.103 7.273 854 HD1 PHE 109 1HD PHE 109 -6.279 12.494 4.939 855 HD2 PHE 109 2HD PHE 109 -5.425 9.564 7.886 856 HE1 PHE 109 1HE PHE 109 -3.931 13.360 5.120 857 HE2 PHE 109 2HE PHE 109 -3.077 10.429 8.068 858 HZ PHE 109 HZ PHE 109 -2.357 12.318 6.682 859 H HIS 110 H HIS 110 -6.150 7.430 4.230 860 HA HIS 110 HA HIS 110 -6.503 5.715 6.569 861 1HB HIS 110 2HB HIS 110 -5.606 4.917 3.790 862 2HB HIS 110 1HB HIS 110 -6.040 3.849 5.112 863 HD2 HIS 110 2HD HIS 110 -8.845 6.030 5.580 864 HE1 HIS 110 1HE HIS 110 -10.029 3.889 2.098 865 HE2 HIS 110 2HE HIS 110 -10.795 5.363 4.082 866 H THR 111 H THR 111 -4.683 4.725 7.571 867 HA THR 111 HA THR 111 -2.094 5.852 6.729 868 HB THR 111 HB THR 111 -1.615 5.859 9.261 869 HG1 THR 111 1HG THR 111 -3.346 4.503 9.947 870 1HG2 THR 111 1HG2 THR 111 -3.486 7.660 7.798 871 2HG2 THR 111 2HG2 THR 111 -3.679 7.690 9.567 872 3HG2 THR 111 3HG2 THR 111 -2.101 8.074 8.837 873 H PHE 112 H PHE 112 -0.220 4.545 7.132 874 HA PHE 112 HA PHE 112 -0.758 1.797 7.884 875 1HB PHE 112 2HB PHE 112 -0.098 0.930 5.762 876 2HB PHE 112 1HB PHE 112 -0.994 2.357 5.280 877 HD1 PHE 112 1HD PHE 112 0.288 4.460 4.716 878 HD2 PHE 112 2HD PHE 112 2.195 0.706 5.247 879 HE1 PHE 112 1HE PHE 112 2.304 5.310 3.486 880 HE2 PHE 112 2HE PHE 112 4.211 1.556 4.017 881 HZ PHE 112 HZ PHE 112 4.242 3.848 3.151 882 H ALA 113 H ALA 113 1.564 0.555 7.508 883 HA ALA 113 HA ALA 113 3.413 2.187 9.053 884 1HB ALA 113 1HB ALA 113 3.391 0.191 10.138 885 2HB ALA 113 2HB ALA 113 2.784 -0.687 8.715 886 3HB ALA 113 3HB ALA 113 4.519 -0.319 8.860 887 H GLY 114 H GLY 114 5.161 3.157 8.150 888 1HA GLY 114 2HA GLY 114 5.709 2.655 5.336 889 2HA GLY 114 1HA GLY 114 6.347 3.941 6.341 890 H ASP 115 H ASP 115 8.233 2.842 4.823 891 HA ASP 115 HA ASP 115 9.396 0.531 5.327 892 1HB ASP 115 2HB ASP 115 10.164 2.858 4.102 893 2HB ASP 115 1HB ASP 115 11.265 2.869 5.465 894 H THR 116 H THR 116 10.470 3.564 7.053 895 HA THR 116 HA THR 116 10.688 1.997 9.526 896 HB THR 116 HB THR 116 12.962 2.325 9.644 897 HG1 THR 116 1HG THR 116 13.662 4.476 9.530 898 1HG2 THR 116 1HG2 THR 116 12.776 1.661 7.209 899 2HG2 THR 116 2HG2 THR 116 12.644 3.385 6.787 900 3HG2 THR 116 3HG2 THR 116 14.143 2.759 7.514 901 H CYS 117 H CYS 117 9.252 4.511 7.916 902 HA CYS 117 HA CYS 117 8.951 5.957 10.442 903 1HB CYS 117 2HB CYS 117 9.332 7.152 7.683 904 2HB CYS 117 1HB CYS 117 8.679 8.056 9.035 905 HG CYS 117 HG CYS 117 10.664 7.791 10.642 906 H GLN 118 H GLN 118 6.791 7.143 10.517 907 HA GLN 118 HA GLN 118 4.811 5.417 9.376 908 1HB GLN 118 2HB GLN 118 4.747 6.221 11.771 909 2HB GLN 118 1HB GLN 118 4.457 7.846 11.186 910 1HG GLN 118 2HG GLN 118 2.570 6.186 9.832 911 2HG GLN 118 1HG GLN 118 2.565 5.650 11.500 912 1HE2 GLN 118 1HE2 GLN 118 3.304 8.081 12.726 913 2HE2 GLN 118 2HE2 GLN 118 1.988 9.202 12.608 914 H VAL 119 H VAL 119 3.338 5.944 7.749 915 HA VAL 119 HA VAL 119 3.378 8.698 6.777 916 HB VAL 119 HB VAL 119 3.306 7.441 4.433 917 1HG1 VAL 119 1HG1 VAL 119 5.636 8.413 6.071 918 2HG1 VAL 119 2HG1 VAL 119 5.909 7.736 4.447 919 3HG1 VAL 119 3HG1 VAL 119 4.854 9.155 4.655 920 1HG2 VAL 119 1HG2 VAL 119 3.569 5.203 5.617 921 2HG2 VAL 119 2HG2 VAL 119 4.706 5.528 4.287 922 3HG2 VAL 119 3HG2 VAL 119 5.241 5.695 5.977 923 H ALA 120 H ALA 120 1.414 9.344 5.756 924 HA ALA 120 HA ALA 120 -0.738 7.355 5.979 925 1HB ALA 120 1HB ALA 120 -2.190 9.058 6.868 926 2HB ALA 120 2HB ALA 120 -0.695 9.081 7.835 927 3HB ALA 120 3HB ALA 120 -0.970 10.324 6.591 928 H LEU 121 H LEU 121 -2.584 7.781 4.497 929 HA LEU 121 HA LEU 121 -1.727 9.345 2.164 930 1HB LEU 121 2HB LEU 121 -2.820 7.630 0.758 931 2HB LEU 121 1HB LEU 121 -1.372 7.085 1.581 932 HG LEU 121 HG LEU 121 -3.943 6.538 2.969 933 1HD1 LEU 121 1HD1 LEU 121 -4.956 5.350 1.394 934 2HD1 LEU 121 2HD1 LEU 121 -3.761 5.959 0.223 935 3HD1 LEU 121 3HD1 LEU 121 -3.473 4.420 1.069 936 1HD2 LEU 121 1HD2 LEU 121 -1.223 5.602 2.992 937 2HD2 LEU 121 2HD2 LEU 121 -2.544 5.278 4.139 938 3HD2 LEU 121 3HD2 LEU 121 -2.330 4.238 2.710 939 H ASN 122 H ASN 122 -3.265 10.688 1.258 940 HA ASN 122 HA ASN 122 -5.902 10.509 2.486 941 1HB ASN 122 2HB ASN 122 -4.778 12.461 3.448 942 2HB ASN 122 1HB ASN 122 -4.218 12.988 1.874 943 1HD2 ASN 122 1HD2 ASN 122 -5.257 14.987 2.644 944 2HD2 ASN 122 2HD2 ASN 122 -6.937 15.247 2.310 945 H PHE 123 H PHE 123 -7.433 10.147 0.874 946 HA PHE 123 HA PHE 123 -6.706 10.331 -1.856 947 1HB PHE 123 2HB PHE 123 -9.476 10.131 -0.536 948 2HB PHE 123 1HB PHE 123 -9.056 9.556 -2.137 949 HD1 PHE 123 1HD PHE 123 -7.672 7.527 -2.403 950 HD2 PHE 123 2HD PHE 123 -8.985 8.826 1.417 951 HE1 PHE 123 1HE PHE 123 -7.148 5.264 -1.453 952 HE2 PHE 123 2HE PHE 123 -8.460 6.563 2.366 953 HZ PHE 123 HZ PHE 123 -7.547 4.809 0.920 954 H ALA 124 H ALA 124 -8.039 11.549 -3.511 955 HA ALA 124 HA ALA 124 -8.167 14.303 -2.699 956 1HB ALA 124 1HB ALA 124 -8.693 14.608 -5.154 957 2HB ALA 124 2HB ALA 124 -7.160 13.768 -4.826 958 3HB ALA 124 3HB ALA 124 -8.593 12.840 -5.332 959 H ASN 125 H ASN 125 -10.368 11.586 -3.307 960 HA ASN 125 HA ASN 125 -12.561 13.433 -2.774 961 1HB ASN 125 2HB ASN 125 -12.186 11.650 -4.995 962 2HB ASN 125 1HB ASN 125 -13.450 10.940 -4.010 963 1HD2 ASN 125 1HD2 ASN 125 -13.409 12.326 -6.660 964 2HD2 ASN 125 2HD2 ASN 125 -14.618 13.564 -6.574 965 H GLU 126 H GLU 126 -14.364 12.436 -1.472 966 HA GLU 126 HA GLU 126 -13.311 10.763 0.541 967 1HB GLU 126 2HB GLU 126 -15.036 12.617 0.844 968 2HB GLU 126 1HB GLU 126 -16.219 11.560 0.100 969 1HG GLU 126 2HG GLU 126 -16.103 9.969 1.880 970 2HG GLU 126 1HG GLU 126 -14.574 10.596 2.466 971 H GLU 127 H GLU 127 -15.867 10.376 -2.008 972 HA GLU 127 HA GLU 127 -16.614 7.836 -1.380 973 1HB GLU 127 2HB GLU 127 -16.973 9.677 -3.551 974 2HB GLU 127 1HB GLU 127 -16.567 8.125 -4.257 975 1HG GLU 127 2HG GLU 127 -18.435 7.036 -3.273 976 2HG GLU 127 1HG GLU 127 -18.625 8.260 -2.034 977 H GLU 128 H GLU 128 -13.950 8.933 -3.581 978 HA GLU 128 HA GLU 128 -13.187 6.464 -4.461 979 1HB GLU 128 2HB GLU 128 -11.952 9.154 -4.236 980 2HB GLU 128 1HB GLU 128 -10.790 7.844 -4.309 981 1HG GLU 128 2HG GLU 128 -12.146 6.956 -6.336 982 2HG GLU 128 1HG GLU 128 -12.971 8.501 -6.331 983 H ALA 129 H ALA 129 -12.659 8.045 -1.330 984 HA ALA 129 HA ALA 129 -10.595 6.218 -0.531 985 1HB ALA 129 1HB ALA 129 -10.804 8.605 0.245 986 2HB ALA 129 2HB ALA 129 -12.270 8.136 1.136 987 3HB ALA 129 3HB ALA 129 -10.698 7.422 1.569 988 H LYS 130 H LYS 130 -14.145 6.593 -0.157 989 HA LYS 130 HA LYS 130 -14.417 4.566 1.781 990 1HB LYS 130 2HB LYS 130 -16.026 6.515 0.793 991 2HB LYS 130 1HB LYS 130 -16.679 5.127 -0.056 992 1HG LYS 130 2HG LYS 130 -16.704 3.926 2.248 993 2HG LYS 130 1HG LYS 130 -16.408 5.502 2.955 994 1HD LYS 130 2HD LYS 130 -18.468 6.389 1.843 995 2HD LYS 130 1HD LYS 130 -18.763 4.816 1.131 996 1HE LYS 130 2HE LYS 130 -18.402 4.294 3.896 997 2HE LYS 130 1HE LYS 130 -19.362 5.760 3.842 998 1HZ LYS 130 1HZ LYS 130 -21.090 4.622 3.110 999 2HZ LYS 130 2HZ LYS 130 -20.241 3.846 1.951 1000 3HZ LYS 130 3HZ LYS 130 -20.281 3.250 3.470 1001 H LYS 131 H LYS 131 -14.611 4.624 -1.824 1002 HA LYS 131 HA LYS 131 -15.310 1.895 -2.022 1003 1HB LYS 131 2HB LYS 131 -14.773 2.208 -4.417 1004 2HB LYS 131 1HB LYS 131 -15.861 3.430 -3.790 1005 1HG LYS 131 2HG LYS 131 -14.415 4.941 -4.700 1006 2HG LYS 131 1HG LYS 131 -13.399 4.605 -3.312 1007 1HD LYS 131 2HD LYS 131 -11.864 3.443 -4.553 1008 2HD LYS 131 1HD LYS 131 -13.096 2.601 -5.471 1009 1HE LYS 131 2HE LYS 131 -13.285 5.310 -6.307 1010 2HE LYS 131 1HE LYS 131 -11.566 4.991 -6.197 1011 1HZ LYS 131 1HZ LYS 131 -11.799 3.980 -8.127 1012 2HZ LYS 131 2HZ LYS 131 -12.609 2.778 -7.375 1013 3HZ LYS 131 3HZ LYS 131 -13.431 4.008 -8.068 1014 H PHE 132 H PHE 132 -12.297 3.661 -1.532 1015 HA PHE 132 HA PHE 132 -10.539 1.724 -2.510 1016 1HB PHE 132 2HB PHE 132 -10.512 4.272 -1.291 1017 2HB PHE 132 1HB PHE 132 -9.765 3.265 -0.066 1018 HD1 PHE 132 1HD PHE 132 -7.612 2.198 -0.473 1019 HD2 PHE 132 2HD PHE 132 -9.412 4.663 -3.421 1020 HE1 PHE 132 1HE PHE 132 -5.425 2.331 -1.698 1021 HE2 PHE 132 2HE PHE 132 -7.225 4.797 -4.645 1022 HZ PHE 132 HZ PHE 132 -5.257 3.629 -3.769 1023 H ARG 133 H ARG 133 -11.618 2.414 0.898 1024 HA ARG 133 HA ARG 133 -10.279 0.238 1.953 1025 1HB ARG 133 2HB ARG 133 -11.585 2.373 3.015 1026 2HB ARG 133 1HB ARG 133 -12.837 1.168 3.246 1027 1HG ARG 133 2HG ARG 133 -10.696 -0.255 4.158 1028 2HG ARG 133 1HG ARG 133 -10.127 1.363 4.519 1029 1HD ARG 133 2HD ARG 133 -11.507 1.498 6.317 1030 2HD ARG 133 1HD ARG 133 -12.908 1.178 5.315 1031 HE ARG 133 HE ARG 133 -11.398 -1.252 5.846 1032 1HH1 ARG 133 2HH2 ARG 133 -13.770 0.957 7.216 1033 2HH1 ARG 133 1HH2 ARG 133 -14.458 -0.232 8.270 1034 1HH2 ARG 133 2HH1 ARG 133 -12.306 -2.822 7.237 1035 2HH2 ARG 133 1HH1 ARG 133 -13.619 -2.397 8.281 1036 H LYS 134 H LYS 134 -13.575 0.662 0.594 1037 HA LYS 134 HA LYS 134 -14.612 -1.791 1.477 1038 1HB LYS 134 2HB LYS 134 -15.540 0.466 0.115 1039 2HB LYS 134 1HB LYS 134 -15.720 -0.836 -1.045 1040 1HG LYS 134 2HG LYS 134 -16.957 -2.193 0.628 1041 2HG LYS 134 1HG LYS 134 -16.722 -0.948 1.839 1042 1HD LYS 134 2HD LYS 134 -18.201 0.564 0.772 1043 2HD LYS 134 1HD LYS 134 -18.040 -0.218 -0.787 1044 1HE LYS 134 2HE LYS 134 -19.273 -2.217 0.093 1045 2HE LYS 134 1HE LYS 134 -19.443 -1.424 1.646 1046 1HZ LYS 134 1HZ LYS 134 -21.039 -1.125 -0.587 1047 2HZ LYS 134 2HZ LYS 134 -21.191 -0.377 0.857 1048 3HZ LYS 134 3HZ LYS 134 -20.318 0.319 -0.334 1049 H ALA 135 H ALA 135 -12.673 -0.801 -1.368 1050 HA ALA 135 HA ALA 135 -12.993 -3.217 -2.776 1051 1HB ALA 135 1HB ALA 135 -10.647 -1.285 -2.882 1052 2HB ALA 135 2HB ALA 135 -11.235 -2.359 -4.174 1053 3HB ALA 135 3HB ALA 135 -12.216 -0.966 -3.660 1054 H VAL 136 H VAL 136 -10.404 -1.972 -0.557 1055 HA VAL 136 HA VAL 136 -8.759 -4.184 -0.690 1056 HB VAL 136 HB VAL 136 -9.314 -2.152 1.468 1057 1HG1 VAL 136 1HG1 VAL 136 -8.461 -3.925 2.744 1058 2HG1 VAL 136 2HG1 VAL 136 -7.348 -4.445 1.456 1059 3HG1 VAL 136 3HG1 VAL 136 -7.024 -2.947 2.360 1060 1HG2 VAL 136 1HG2 VAL 136 -7.907 -2.057 -0.976 1061 2HG2 VAL 136 2HG2 VAL 136 -7.918 -0.841 0.325 1062 3HG2 VAL 136 3HG2 VAL 136 -6.669 -2.110 0.303 1063 H THR 137 H THR 137 -11.292 -3.439 1.814 1064 HA THR 137 HA THR 137 -11.136 -5.818 3.182 1065 HB THR 137 HB THR 137 -13.446 -5.203 3.919 1066 HG1 THR 137 1HG THR 137 -13.174 -3.124 1.888 1067 1HG2 THR 137 1HG2 THR 137 -12.334 -3.585 5.110 1068 2HG2 THR 137 2HG2 THR 137 -11.227 -3.254 3.757 1069 3HG2 THR 137 3HG2 THR 137 -12.822 -2.467 3.814 1070 H ASP 138 H ASP 138 -13.181 -5.058 0.295 1071 HA ASP 138 HA ASP 138 -14.503 -7.415 0.174 1072 1HB ASP 138 2HB ASP 138 -13.816 -5.230 -1.643 1073 2HB ASP 138 1HB ASP 138 -13.823 -6.751 -2.514 1074 H LEU 139 H LEU 139 -11.211 -6.517 -1.015 1075 HA LEU 139 HA LEU 139 -10.736 -8.970 -2.342 1076 1HB LEU 139 2HB LEU 139 -9.533 -6.465 -2.148 1077 2HB LEU 139 1HB LEU 139 -8.368 -7.556 -1.422 1078 HG LEU 139 HG LEU 139 -9.330 -8.744 -3.851 1079 1HD1 LEU 139 1HD1 LEU 139 -8.909 -5.816 -3.970 1080 2HD1 LEU 139 2HD1 LEU 139 -8.086 -6.778 -5.221 1081 3HD1 LEU 139 3HD1 LEU 139 -9.852 -6.892 -5.027 1082 1HD2 LEU 139 1HD2 LEU 139 -6.857 -8.411 -4.460 1083 2HD2 LEU 139 2HD2 LEU 139 -6.684 -7.730 -2.826 1084 3HD2 LEU 139 3HD2 LEU 139 -7.243 -9.407 -3.037 1085 H LEU 140 H LEU 140 -9.892 -7.655 0.920 1086 HA LEU 140 HA LEU 140 -8.425 -9.888 1.732 1087 1HB LEU 140 2HB LEU 140 -9.653 -7.508 2.976 1088 2HB LEU 140 1HB LEU 140 -9.405 -8.872 4.049 1089 HG LEU 140 HG LEU 140 -6.980 -8.683 2.708 1090 1HD1 LEU 140 1HD1 LEU 140 -6.282 -6.440 2.622 1091 2HD1 LEU 140 2HD1 LEU 140 -7.871 -6.466 1.818 1092 3HD1 LEU 140 3HD1 LEU 140 -7.726 -5.864 3.488 1093 1HD2 LEU 140 1HD2 LEU 140 -7.430 -7.256 5.312 1094 2HD2 LEU 140 2HD2 LEU 140 -7.656 -9.019 5.200 1095 3HD2 LEU 140 3HD2 LEU 140 -6.079 -8.296 4.801 1096 H GLY 141 H GLY 141 -11.926 -9.139 1.728 1097 1HA GLY 141 2HA GLY 141 -12.751 -11.259 3.389 1098 2HA GLY 141 1HA GLY 141 -13.724 -10.399 2.212 1099 H ARG 142 H ARG 142 -12.363 -10.957 -0.208 1100 HA ARG 142 HA ARG 142 -13.398 -13.457 -0.760 1101 1HB ARG 142 2HB ARG 142 -12.246 -11.279 -2.203 1102 2HB ARG 142 1HB ARG 142 -11.311 -12.688 -2.660 1103 1HG ARG 142 2HG ARG 142 -13.566 -13.893 -3.050 1104 2HG ARG 142 1HG ARG 142 -14.329 -12.324 -2.885 1105 1HD ARG 142 2HD ARG 142 -13.386 -11.494 -4.875 1106 2HD ARG 142 1HD ARG 142 -12.002 -12.566 -4.796 1107 HE ARG 142 HE ARG 142 -14.231 -14.253 -5.098 1108 1HH1 ARG 142 2HH2 ARG 142 -12.735 -11.644 -6.924 1109 2HH1 ARG 142 1HH2 ARG 142 -13.260 -12.247 -8.460 1110 1HH2 ARG 142 2HH1 ARG 142 -14.924 -15.049 -7.124 1111 2HH2 ARG 142 1HH1 ARG 142 -14.514 -14.196 -8.575 1112 H ARG 143 H ARG 143 -10.058 -12.294 -0.060 1113 HA ARG 143 HA ARG 143 -8.149 -13.344 0.107 1114 1HB ARG 143 2HB ARG 143 -9.758 -14.044 2.183 1115 2HB ARG 143 1HB ARG 143 -9.453 -15.648 1.548 1116 1HG ARG 143 2HG ARG 143 -6.918 -14.381 1.538 1117 2HG ARG 143 1HG ARG 143 -7.658 -13.877 3.044 1118 1HD ARG 143 2HD ARG 143 -8.016 -16.769 2.417 1119 2HD ARG 143 1HD ARG 143 -6.349 -16.288 2.661 1120 HE ARG 143 HE ARG 143 -8.201 -15.262 4.702 1121 1HH1 ARG 143 2HH2 ARG 143 -6.062 -17.897 3.774 1122 2HH1 ARG 143 1HH2 ARG 143 -5.849 -18.465 5.397 1123 1HH2 ARG 143 2HH1 ARG 143 -7.921 -16.011 6.843 1124 2HH2 ARG 143 1HH1 ARG 143 -6.914 -17.385 7.153 1125 H GLN 144 H GLN 144 -7.543 -16.198 0.472 1126 HA GLN 144 HA GLN 144 -6.798 -17.751 -0.902 1127 1HB GLN 144 2HB GLN 144 -9.275 -18.324 -0.120 1128 2HB GLN 144 1HB GLN 144 -9.643 -18.173 -1.827 1129 1HG GLN 144 2HG GLN 144 -7.593 -19.774 -2.196 1130 2HG GLN 144 1HG GLN 144 -7.739 -20.124 -0.484 1131 1HE2 GLN 144 1HE2 GLN 144 -9.664 -21.033 0.335 1132 2HE2 GLN 144 2HE2 GLN 144 -10.740 -21.951 -0.664 Start of MODEL 2 1 1H ASP 1 H ASP 1 -11.743 16.436 9.880 2 HA ASP 1 HA ASP 1 -9.514 17.704 9.352 3 1HB ASP 1 1HB ASP 1 -11.060 17.445 11.571 4 2HB ASP 1 2HB ASP 1 -9.649 16.576 12.138 5 H LEU 2 H LEU 2 -7.177 17.416 9.947 6 HA LEU 2 HA LEU 2 -6.196 14.900 9.237 7 1HB LEU 2 1HB LEU 2 -4.871 17.272 10.553 8 2HB LEU 2 2HB LEU 2 -4.009 15.863 9.967 9 HG LEU 2 HG LEU 2 -5.723 17.643 8.215 10 1HD1 LEU 2 1HD1 LEU 2 -3.971 18.993 7.746 11 2HD1 LEU 2 2HD1 LEU 2 -3.474 18.522 9.388 12 3HD1 LEU 2 3HD1 LEU 2 -2.765 17.705 7.975 13 1HD2 LEU 2 1HD2 LEU 2 -5.400 15.298 7.445 14 2HD2 LEU 2 2HD2 LEU 2 -4.703 16.519 6.353 15 3HD2 LEU 2 3HD2 LEU 2 -3.643 15.583 7.435 16 HA PRO 3 HA PRO 3 -6.562 12.920 13.091 17 1HB PRO 3 1HB PRO 3 -5.498 10.508 12.373 18 2HB PRO 3 2HB PRO 3 -7.175 10.936 12.097 19 1HG PRO 3 1HG PRO 3 -4.957 10.788 10.149 20 2HG PRO 3 2HG PRO 3 -6.683 10.792 9.848 21 1HD PRO 3 1HD PRO 3 -4.875 12.990 9.491 22 2HD PRO 3 2HD PRO 3 -6.616 13.025 9.302 23 HA PRO 4 HA PRO 4 -2.817 13.173 15.067 24 1HB PRO 4 1HB PRO 4 -3.004 11.365 17.107 25 2HB PRO 4 2HB PRO 4 -3.744 12.952 17.163 26 1HG PRO 4 1HG PRO 4 -5.026 10.324 16.733 27 2HG PRO 4 2HG PRO 4 -5.764 11.840 17.211 28 1HD PRO 4 1HD PRO 4 -5.845 10.637 14.609 29 2HD PRO 4 2HD PRO 4 -6.482 12.206 15.058 30 HA PRO 5 HA PRO 5 -0.210 10.296 13.312 31 1HB PRO 5 1HB PRO 5 2.194 11.400 13.999 32 2HB PRO 5 2HB PRO 5 1.267 11.915 12.604 33 1HG PRO 5 1HG PRO 5 1.611 13.275 15.206 34 2HG PRO 5 2HG PRO 5 1.061 13.943 13.682 35 1HD PRO 5 1HD PRO 5 -0.568 13.258 15.941 36 2HD PRO 5 2HD PRO 5 -1.126 13.816 14.377 37 H GLU 6 H GLU 6 0.528 8.306 13.811 38 HA GLU 6 HA GLU 6 1.031 8.009 16.669 39 1HB GLU 6 1HB GLU 6 -0.491 6.410 14.699 40 2HB GLU 6 2HB GLU 6 0.597 5.443 15.676 41 1HG GLU 6 1HG GLU 6 -0.691 7.341 17.426 42 2HG GLU 6 2HG GLU 6 -1.935 6.607 16.434 43 HA PRO 7 HA PRO 7 5.083 6.896 15.530 44 1HB PRO 7 1HB PRO 7 5.983 5.979 17.942 45 2HB PRO 7 2HB PRO 7 5.930 7.679 17.523 46 1HG PRO 7 1HG PRO 7 4.142 6.155 19.317 47 2HG PRO 7 2HG PRO 7 4.376 7.889 19.214 48 1HD PRO 7 1HD PRO 7 2.160 6.391 18.179 49 2HD PRO 7 2HD PRO 7 2.451 8.107 17.975 50 H TYR 8 H TYR 8 5.646 5.310 14.193 51 HA TYR 8 HA TYR 8 4.681 2.657 14.972 52 1HB TYR 8 1HB TYR 8 4.193 3.848 12.706 53 2HB TYR 8 2HB TYR 8 5.910 3.758 12.371 54 HD1 TYR 8 1HD TYR 8 6.970 1.642 11.776 55 HD2 TYR 8 2HD TYR 8 2.793 1.823 12.683 56 HE1 TYR 8 1HE TYR 8 6.646 -0.674 10.779 57 HE2 TYR 8 2HE TYR 8 2.483 -0.493 11.682 58 HH TYR 8 HH TYR 8 3.495 -1.962 10.203 59 H VAL 9 H VAL 9 6.070 1.063 15.594 60 HA VAL 9 HA VAL 9 8.929 1.642 15.245 61 HB VAL 9 HB VAL 9 8.243 1.690 17.555 62 1HG1 VAL 9 1HG1 VAL 9 6.360 0.507 17.990 63 2HG1 VAL 9 2HG1 VAL 9 6.742 -0.752 16.791 64 3HG1 VAL 9 3HG1 VAL 9 7.515 -0.785 18.395 65 1HG2 VAL 9 1HG2 VAL 9 10.435 0.623 16.860 66 2HG2 VAL 9 2HG2 VAL 9 9.827 0.163 18.469 67 3HG2 VAL 9 3HG2 VAL 9 9.647 -0.955 17.095 68 H GLN 10 H GLN 10 10.265 0.055 14.355 69 HA GLN 10 HA GLN 10 8.843 -1.925 12.867 70 1HB GLN 10 1HB GLN 10 11.367 -0.529 12.670 71 2HB GLN 10 2HB GLN 10 11.682 -2.250 12.606 72 1HG GLN 10 1HG GLN 10 9.450 -2.023 10.963 73 2HG GLN 10 2HG GLN 10 10.282 -0.514 10.645 74 1HE2 GLN 10 1HE2 GLN 10 10.427 -3.990 10.509 75 2HE2 GLN 10 2HE2 GLN 10 11.792 -4.145 9.454 76 H THR 11 H THR 11 9.729 -4.253 12.791 77 HA THR 11 HA THR 11 10.912 -5.118 15.306 78 HB THR 11 HB THR 11 8.049 -5.381 14.553 79 HG1 THR 11 1HG THR 11 8.790 -4.498 16.570 80 1HG2 THR 11 1HG2 THR 11 9.623 -7.778 15.636 81 2HG2 THR 11 2HG2 THR 11 7.849 -7.647 15.580 82 3HG2 THR 11 3HG2 THR 11 8.783 -7.728 14.067 83 H THR 12 H THR 12 9.434 -6.179 12.171 84 HA THR 12 HA THR 12 11.836 -7.284 11.247 85 HB THR 12 HB THR 12 10.147 -8.990 13.017 86 HG1 THR 12 1HG THR 12 12.365 -8.742 13.468 87 1HG2 THR 12 1HG2 THR 12 11.158 -10.975 11.501 88 2HG2 THR 12 2HG2 THR 12 9.521 -10.342 11.203 89 3HG2 THR 12 3HG2 THR 12 10.884 -9.794 10.198 90 H LYS 13 H LYS 13 8.326 -8.224 11.199 91 HA LYS 13 HA LYS 13 6.880 -8.324 9.536 92 1HB LYS 13 1HB LYS 13 8.611 -6.065 8.516 93 2HB LYS 13 2HB LYS 13 7.196 -6.616 7.641 94 1HG LYS 13 1HG LYS 13 5.828 -5.474 9.041 95 2HG LYS 13 2HG LYS 13 6.476 -6.324 10.429 96 1HD LYS 13 1HD LYS 13 7.799 -4.565 11.039 97 2HD LYS 13 2HD LYS 13 8.353 -4.294 9.399 98 1HE LYS 13 1HE LYS 13 5.553 -3.558 9.548 99 2HE LYS 13 2HE LYS 13 6.397 -2.790 10.879 100 1HZ LYS 13 1HZ LYS 13 7.162 -2.639 8.046 101 2HZ LYS 13 2HZ LYS 13 6.509 -1.436 8.937 102 3HZ LYS 13 3HZ LYS 13 8.014 -1.976 9.271 103 H SER 14 H SER 14 6.480 -9.400 7.516 104 HA SER 14 HA SER 14 8.876 -10.341 6.183 105 1HB SER 14 1HB SER 14 6.634 -12.134 7.214 106 2HB SER 14 2HB SER 14 7.894 -12.668 6.120 107 HG SER 14 HG SER 14 8.355 -11.558 8.759 108 H TYR 15 H TYR 15 8.581 -10.704 3.929 109 HA TYR 15 HA TYR 15 5.925 -9.916 2.942 110 1HB TYR 15 1HB TYR 15 8.807 -9.762 1.868 111 2HB TYR 15 2HB TYR 15 7.421 -9.353 0.878 112 HD1 TYR 15 1HD TYR 15 6.570 -7.165 0.880 113 HD2 TYR 15 2HD TYR 15 9.116 -8.425 4.080 114 HE1 TYR 15 1HE TYR 15 6.652 -4.782 1.763 115 HE2 TYR 15 2HE TYR 15 9.189 -6.037 4.951 116 HH TYR 15 HH TYR 15 8.227 -3.422 3.124 117 HA PRO 16 HA PRO 16 5.660 -13.832 1.106 118 1HB PRO 16 1HB PRO 16 3.618 -13.386 -0.654 119 2HB PRO 16 2HB PRO 16 3.361 -13.720 1.047 120 1HG PRO 16 1HG PRO 16 3.147 -11.145 -0.388 121 2HG PRO 16 2HG PRO 16 2.497 -11.585 1.179 122 1HD PRO 16 1HD PRO 16 4.814 -9.972 0.672 123 2HD PRO 16 2HD PRO 16 4.232 -10.508 2.236 124 H SER 17 H SER 17 5.626 -11.130 -1.155 125 HA SER 17 HA SER 17 6.446 -12.629 -3.319 126 1HB SER 17 1HB SER 17 5.753 -10.566 -4.039 127 2HB SER 17 2HB SER 17 6.303 -9.755 -2.587 128 HG SER 17 HG SER 17 7.545 -9.106 -4.446 129 H LYS 18 H LYS 18 8.114 -11.782 -0.428 130 HA LYS 18 HA LYS 18 10.550 -12.888 -1.489 131 1HB LYS 18 1HB LYS 18 10.234 -9.984 -0.985 132 2HB LYS 18 2HB LYS 18 11.661 -10.717 -0.280 133 1HG LYS 18 1HG LYS 18 12.245 -11.708 -2.510 134 2HG LYS 18 2HG LYS 18 10.830 -10.949 -3.211 135 1HD LYS 18 1HD LYS 18 12.383 -9.308 -3.716 136 2HD LYS 18 2HD LYS 18 11.905 -8.734 -2.131 137 1HE LYS 18 1HE LYS 18 13.825 -10.088 -1.139 138 2HE LYS 18 2HE LYS 18 14.342 -10.459 -2.771 139 1HZ LYS 18 1HZ LYS 18 15.165 -8.429 -3.011 140 2HZ LYS 18 2HZ LYS 18 13.876 -7.683 -2.339 141 3HZ LYS 18 3HZ LYS 18 15.058 -8.286 -1.387 142 H LEU 19 H LEU 19 9.044 -14.279 0.143 143 HA LEU 19 HA LEU 19 9.505 -13.582 2.891 144 1HB LEU 19 1HB LEU 19 7.436 -14.581 2.414 145 2HB LEU 19 2HB LEU 19 8.163 -15.857 1.458 146 HG LEU 19 HG LEU 19 9.028 -16.952 3.412 147 1HD1 LEU 19 1HD1 LEU 19 7.822 -15.062 5.363 148 2HD1 LEU 19 2HD1 LEU 19 9.290 -16.063 5.478 149 3HD1 LEU 19 3HD1 LEU 19 9.318 -14.543 4.552 150 1HD2 LEU 19 1HD2 LEU 19 6.777 -17.095 4.789 151 2HD2 LEU 19 2HD2 LEU 19 6.143 -16.167 3.408 152 3HD2 LEU 19 3HD2 LEU 19 6.904 -17.754 3.140 153 H ALA 20 H ALA 20 11.175 -15.265 0.338 154 HA ALA 20 HA ALA 20 13.158 -16.252 0.293 155 1HB ALA 20 1HB ALA 20 14.736 -15.912 2.087 156 2HB ALA 20 2HB ALA 20 13.765 -14.427 1.937 157 3HB ALA 20 3HB ALA 20 13.428 -15.583 3.248 158 H ARG 21 H ARG 21 10.473 -17.449 1.398 159 HA ARG 21 HA ARG 21 11.568 -20.028 1.711 160 1HB ARG 21 1HB ARG 21 11.781 -19.183 4.061 161 2HB ARG 21 2HB ARG 21 10.071 -18.805 4.083 162 1HG ARG 21 1HG ARG 21 9.557 -21.240 3.661 163 2HG ARG 21 2HG ARG 21 11.271 -21.592 3.726 164 1HD ARG 21 1HD ARG 21 10.554 -20.039 6.072 165 2HD ARG 21 2HD ARG 21 9.434 -21.378 5.922 166 HE ARG 21 HE ARG 21 12.292 -21.554 6.519 167 1HH1 ARG 21 2HH2 ARG 21 9.529 -23.291 5.203 168 2HH1 ARG 21 1HH2 ARG 21 10.197 -24.855 5.524 169 1HH2 ARG 21 2HH1 ARG 21 13.174 -23.618 6.944 170 2HH2 ARG 21 1HH1 ARG 21 12.284 -25.044 6.521 171 H ASN 22 H ASN 22 10.223 -20.546 -0.090 172 HA ASN 22 HA ASN 22 7.377 -20.153 0.366 173 1HB ASN 22 1HB ASN 22 9.141 -20.117 -2.032 174 2HB ASN 22 2HB ASN 22 7.670 -21.040 -2.274 175 1HD2 ASN 22 1HD2 ASN 22 9.016 -18.093 -2.586 176 2HD2 ASN 22 2HD2 ASN 22 7.627 -17.060 -2.516 177 H GLU 23 H GLU 23 9.681 -22.465 -1.280 178 HA GLU 23 HA GLU 23 8.545 -24.640 0.169 179 1HB GLU 23 1HB GLU 23 7.202 -24.047 -2.131 180 2HB GLU 23 2HB GLU 23 8.437 -25.104 -2.784 181 1HG GLU 23 1HG GLU 23 7.800 -26.706 -0.791 182 2HG GLU 23 2HG GLU 23 6.343 -25.737 -0.677 183 H SER 24 H SER 24 10.931 -24.247 0.774 184 HA SER 24 HA SER 24 12.446 -26.238 -0.443 185 1HB SER 24 1HB SER 24 14.104 -25.065 -1.649 186 2HB SER 24 2HB SER 24 12.614 -24.289 -2.148 187 HG SER 24 HG SER 24 14.784 -23.185 -0.907 188 H ARG 25 H ARG 25 14.824 -26.152 0.506 189 HA ARG 25 HA ARG 25 14.543 -25.868 3.247 190 1HB ARG 25 1HB ARG 25 16.199 -27.329 1.801 191 2HB ARG 25 2HB ARG 25 17.239 -25.919 1.836 192 1HG ARG 25 1HG ARG 25 18.007 -26.697 3.831 193 2HG ARG 25 2HG ARG 25 16.483 -26.166 4.512 194 1HD ARG 25 1HD ARG 25 15.926 -28.683 3.300 195 2HD ARG 25 2HD ARG 25 17.464 -28.891 4.112 196 HE ARG 25 HE ARG 25 15.861 -27.535 5.965 197 1HH1 ARG 25 2HH2 ARG 25 15.671 -30.582 4.216 198 2HH1 ARG 25 1HH2 ARG 25 14.750 -31.379 5.448 199 1HH2 ARG 25 2HH1 ARG 25 14.647 -28.585 7.591 200 2HH2 ARG 25 1HH1 ARG 25 14.164 -30.235 7.380 201 H GLY 26 H GLY 26 16.545 -24.004 0.839 202 1HA GLY 26 1HA GLY 26 16.545 -21.620 0.890 203 2HA GLY 26 2HA GLY 26 16.354 -21.666 2.630 204 H SER 27 H SER 27 18.603 -21.716 -0.043 205 HA SER 27 HA SER 27 20.774 -22.188 1.844 206 1HB SER 27 1HB SER 27 20.693 -23.756 -0.080 207 2HB SER 27 2HB SER 27 20.744 -22.408 -1.200 208 HG SER 27 HG SER 27 22.859 -21.872 -0.452 209 H GLY 28 H GLY 28 20.073 -20.328 -1.215 210 1HA GLY 28 1HA GLY 28 20.085 -17.901 -1.060 211 2HA GLY 28 2HA GLY 28 21.472 -18.023 0.004 212 H SER 29 H SER 29 20.423 -17.678 -3.247 213 HA SER 29 HA SER 29 23.065 -17.407 -4.132 214 1HB SER 29 1HB SER 29 22.236 -20.051 -4.189 215 2HB SER 29 2HB SER 29 21.812 -19.517 -5.803 216 HG SER 29 HG SER 29 24.039 -18.730 -6.034 217 H GLY 30 H GLY 30 22.109 -15.334 -4.681 218 1HA GLY 30 1HA GLY 30 20.021 -15.398 -6.753 219 2HA GLY 30 2HA GLY 30 20.462 -14.031 -5.747 220 H SER 31 H SER 31 20.261 -13.764 -8.547 221 HA SER 31 HA SER 31 23.071 -13.342 -9.183 222 1HB SER 31 1HB SER 31 21.485 -15.219 -10.463 223 2HB SER 31 2HB SER 31 21.281 -13.824 -11.503 224 HG SER 31 HG SER 31 23.845 -13.783 -11.129 225 H LEU 32 H LEU 32 19.668 -12.595 -10.251 226 HA LEU 32 HA LEU 32 20.213 -9.785 -9.985 227 1HB LEU 32 1HB LEU 32 20.534 -11.085 -12.520 228 2HB LEU 32 2HB LEU 32 19.138 -10.027 -12.595 229 HG LEU 32 HG LEU 32 21.790 -9.049 -11.537 230 1HD1 LEU 32 1HD1 LEU 32 22.349 -8.233 -13.765 231 2HD1 LEU 32 2HD1 LEU 32 22.205 -10.008 -13.755 232 3HD1 LEU 32 3HD1 LEU 32 20.894 -9.012 -14.432 233 1HD2 LEU 32 1HD2 LEU 32 19.294 -7.724 -12.606 234 2HD2 LEU 32 2HD2 LEU 32 20.048 -7.554 -11.002 235 3HD2 LEU 32 3HD2 LEU 32 20.845 -6.865 -12.437 236 H PHE 33 H PHE 33 17.929 -12.074 -11.655 237 HA PHE 33 HA PHE 33 15.899 -11.458 -9.735 238 1HB PHE 33 1HB PHE 33 14.374 -10.651 -11.704 239 2HB PHE 33 2HB PHE 33 15.574 -9.506 -11.138 240 HD1 PHE 33 1HD PHE 33 14.778 -11.911 -13.820 241 HD2 PHE 33 2HD PHE 33 17.338 -8.771 -12.558 242 HE1 PHE 33 1HE PHE 33 15.700 -11.727 -16.147 243 HE2 PHE 33 2HE PHE 33 18.260 -8.587 -14.885 244 HZ PHE 33 HZ PHE 33 17.430 -10.068 -16.652 245 H SER 34 H SER 34 13.817 -12.671 -10.275 246 HA SER 34 HA SER 34 14.522 -15.023 -11.852 247 1HB SER 34 1HB SER 34 13.782 -14.838 -9.111 248 2HB SER 34 2HB SER 34 12.386 -15.511 -9.929 249 HG SER 34 HG SER 34 14.627 -16.794 -9.222 250 H PHE 35 H PHE 35 13.500 -14.603 -13.816 251 HA PHE 35 HA PHE 35 11.033 -13.230 -13.955 252 1HB PHE 35 1HB PHE 35 13.142 -14.312 -15.643 253 2HB PHE 35 2HB PHE 35 11.622 -14.935 -16.254 254 HD1 PHE 35 1HD PHE 35 10.392 -13.648 -17.737 255 HD2 PHE 35 2HD PHE 35 13.204 -11.723 -15.208 256 HE1 PHE 35 1HE PHE 35 9.986 -11.480 -18.934 257 HE2 PHE 35 2HE PHE 35 12.798 -9.555 -16.405 258 HZ PHE 35 HZ PHE 35 11.193 -9.460 -18.254 259 H LEU 36 H LEU 36 9.465 -14.313 -12.671 260 HA LEU 36 HA LEU 36 8.181 -16.466 -14.015 261 1HB LEU 36 1HB LEU 36 10.149 -17.450 -12.604 262 2HB LEU 36 2HB LEU 36 9.083 -17.162 -11.244 263 HG LEU 36 HG LEU 36 7.339 -18.490 -12.731 264 1HD1 LEU 36 1HD1 LEU 36 8.291 -20.179 -14.131 265 2HD1 LEU 36 2HD1 LEU 36 8.911 -18.603 -14.675 266 3HD1 LEU 36 3HD1 LEU 36 9.947 -19.680 -13.709 267 1HD2 LEU 36 1HD2 LEU 36 9.523 -20.055 -11.357 268 2HD2 LEU 36 2HD2 LEU 36 8.355 -19.055 -10.462 269 3HD2 LEU 36 3HD2 LEU 36 7.784 -20.415 -11.458 270 H GLY 37 H GLY 37 7.154 -14.050 -13.756 271 1HA GLY 37 1HA GLY 37 5.161 -14.385 -11.620 272 2HA GLY 37 2HA GLY 37 6.042 -12.874 -11.739 273 H LYS 38 H LYS 38 4.875 -11.305 -12.747 274 HA LYS 38 HA LYS 38 3.681 -10.274 -14.301 275 1HB LYS 38 1HB LYS 38 4.750 -12.530 -15.749 276 2HB LYS 38 2HB LYS 38 3.126 -12.190 -16.312 277 1HG LYS 38 1HG LYS 38 3.681 -9.877 -16.804 278 2HG LYS 38 2HG LYS 38 5.212 -9.995 -15.960 279 1HD LYS 38 1HD LYS 38 6.179 -11.384 -17.651 280 2HD LYS 38 2HD LYS 38 4.619 -11.805 -18.327 281 1HE LYS 38 1HE LYS 38 4.806 -10.087 -19.794 282 2HE LYS 38 2HE LYS 38 4.782 -8.954 -18.456 283 1HZ LYS 38 1HZ LYS 38 7.190 -9.362 -18.237 284 2HZ LYS 38 2HZ LYS 38 7.151 -10.249 -19.608 285 3HZ LYS 38 3HZ LYS 38 6.774 -8.660 -19.653 286 H LYS 39 H LYS 39 1.407 -10.485 -15.495 287 HA LYS 39 HA LYS 39 -0.750 -10.995 -15.396 288 1HB LYS 39 1HB LYS 39 0.464 -13.434 -14.532 289 2HB LYS 39 2HB LYS 39 -0.931 -13.142 -13.514 290 1HG LYS 39 1HG LYS 39 -2.165 -12.571 -15.777 291 2HG LYS 39 2HG LYS 39 -0.828 -13.411 -16.535 292 1HD LYS 39 1HD LYS 39 -1.984 -15.332 -16.157 293 2HD LYS 39 2HD LYS 39 -1.534 -15.155 -14.473 294 1HE LYS 39 1HE LYS 39 -3.830 -15.236 -14.193 295 2HE LYS 39 2HE LYS 39 -3.672 -13.510 -14.446 296 1HZ LYS 39 1HZ LYS 39 -4.826 -15.478 -16.149 297 2HZ LYS 39 2HZ LYS 39 -5.093 -13.869 -16.090 298 3HZ LYS 39 3HZ LYS 39 -3.830 -14.455 -16.942 299 H CYS 40 H CYS 40 -0.503 -8.824 -14.270 300 HA CYS 40 HA CYS 40 -1.297 -9.114 -11.464 301 1HB CYS 40 1HB CYS 40 -0.438 -6.790 -11.156 302 2HB CYS 40 2HB CYS 40 0.804 -7.958 -11.561 303 HG CYS 40 HG CYS 40 -0.068 -5.288 -12.943 304 H VAL 41 H VAL 41 -3.196 -7.985 -10.802 305 HA VAL 41 HA VAL 41 -4.748 -6.883 -13.037 306 HB VAL 41 HB VAL 41 -5.527 -8.978 -11.862 307 1HG1 VAL 41 1HG1 VAL 41 -5.739 -7.016 -9.579 308 2HG1 VAL 41 2HG1 VAL 41 -6.820 -8.426 -9.686 309 3HG1 VAL 41 3HG1 VAL 41 -5.059 -8.660 -9.592 310 1HG2 VAL 41 1HG2 VAL 41 -7.572 -6.803 -11.496 311 2HG2 VAL 41 2HG2 VAL 41 -6.938 -7.160 -13.121 312 3HG2 VAL 41 3HG2 VAL 41 -7.757 -8.434 -12.185 313 H THR 42 H THR 42 -6.016 -4.950 -12.646 314 HA THR 42 HA THR 42 -4.825 -3.307 -10.515 315 HB THR 42 HB THR 42 -6.079 -2.637 -13.226 316 HG1 THR 42 1HG THR 42 -3.928 -3.055 -13.608 317 1HG2 THR 42 1HG2 THR 42 -4.624 -0.436 -12.188 318 2HG2 THR 42 2HG2 THR 42 -6.389 -0.523 -12.405 319 3HG2 THR 42 3HG2 THR 42 -5.661 -0.970 -10.843 320 H MET 43 H MET 43 -6.010 -3.053 -8.739 321 HA MET 43 HA MET 43 -8.696 -3.800 -8.678 322 1HB MET 43 1HB MET 43 -7.083 -3.796 -6.723 323 2HB MET 43 2HB MET 43 -7.077 -2.044 -6.748 324 1HG MET 43 1HG MET 43 -8.976 -1.975 -5.504 325 2HG MET 43 2HG MET 43 -9.833 -2.936 -6.693 326 1HE MET 43 1HE MET 43 -9.051 -6.531 -5.785 327 2HE MET 43 2HE MET 43 -8.945 -5.339 -7.104 328 3HE MET 43 3HE MET 43 -7.490 -5.772 -6.175 329 H SER 44 H SER 44 -7.240 -0.513 -8.081 330 HA SER 44 HA SER 44 -9.011 0.736 -9.839 331 1HB SER 44 1HB SER 44 -10.485 0.085 -7.760 332 2HB SER 44 2HB SER 44 -9.651 1.396 -6.949 333 HG SER 44 HG SER 44 -11.538 2.255 -7.870 334 H SER 45 H SER 45 -8.436 2.982 -10.108 335 HA SER 45 HA SER 45 -6.052 3.677 -8.588 336 1HB SER 45 1HB SER 45 -5.171 4.657 -10.488 337 2HB SER 45 2HB SER 45 -6.177 3.437 -11.245 338 HG SER 45 HG SER 45 -7.291 4.999 -12.176 339 H ALA 46 H ALA 46 -6.286 5.293 -7.088 340 HA ALA 46 HA ALA 46 -8.343 7.318 -7.622 341 1HB ALA 46 1HB ALA 46 -7.789 6.527 -4.796 342 2HB ALA 46 2HB ALA 46 -9.313 7.031 -5.565 343 3HB ALA 46 3HB ALA 46 -8.711 5.371 -5.785 344 H VAL 47 H VAL 47 -7.697 9.429 -7.263 345 HA VAL 47 HA VAL 47 -4.894 9.838 -6.930 346 HB VAL 47 HB VAL 47 -7.254 11.709 -7.184 347 1HG1 VAL 47 1HG1 VAL 47 -5.315 12.741 -5.983 348 2HG1 VAL 47 2HG1 VAL 47 -4.309 12.405 -7.413 349 3HG1 VAL 47 3HG1 VAL 47 -5.695 13.513 -7.540 350 1HG2 VAL 47 1HG2 VAL 47 -7.179 11.052 -9.323 351 2HG2 VAL 47 2HG2 VAL 47 -5.638 11.935 -9.436 352 3HG2 VAL 47 3HG2 VAL 47 -5.640 10.189 -9.087 353 H VAL 48 H VAL 48 -3.797 10.099 -5.057 354 HA VAL 48 HA VAL 48 -5.233 11.223 -2.786 355 HB VAL 48 HB VAL 48 -4.914 9.469 -1.374 356 1HG1 VAL 48 1HG1 VAL 48 -5.768 7.503 -2.361 357 2HG1 VAL 48 2HG1 VAL 48 -6.362 8.830 -3.390 358 3HG1 VAL 48 3HG1 VAL 48 -4.981 7.841 -3.922 359 1HG2 VAL 48 1HG2 VAL 48 -2.512 8.867 -3.056 360 2HG2 VAL 48 2HG2 VAL 48 -2.666 9.019 -1.289 361 3HG2 VAL 48 3HG2 VAL 48 -3.233 7.544 -2.107 362 H GLN 49 H GLN 49 -3.616 11.789 -0.985 363 HA GLN 49 HA GLN 49 -1.131 12.589 -2.290 364 1HB GLN 49 1HB GLN 49 -2.534 13.964 0.044 365 2HB GLN 49 2HB GLN 49 -1.103 14.539 -0.789 366 1HG GLN 49 1HG GLN 49 -2.503 15.683 -2.167 367 2HG GLN 49 2HG GLN 49 -2.918 14.139 -2.884 368 1HE2 GLN 49 1HE2 GLN 49 -4.997 13.920 -3.112 369 2HE2 GLN 49 2HE2 GLN 49 -6.238 14.388 -1.998 370 H LEU 50 H LEU 50 0.743 11.746 -1.468 371 HA LEU 50 HA LEU 50 0.546 10.045 0.837 372 1HB LEU 50 1HB LEU 50 1.951 9.917 -1.457 373 2HB LEU 50 2HB LEU 50 3.162 10.642 -0.419 374 HG LEU 50 HG LEU 50 3.180 8.111 -0.632 375 1HD1 LEU 50 1HD1 LEU 50 4.501 9.121 1.060 376 2HD1 LEU 50 2HD1 LEU 50 3.077 9.463 2.072 377 3HD1 LEU 50 3HD1 LEU 50 3.617 7.783 1.832 378 1HD2 LEU 50 1HD2 LEU 50 1.110 7.901 1.479 379 2HD2 LEU 50 2HD2 LEU 50 0.526 8.221 -0.171 380 3HD2 LEU 50 3HD2 LEU 50 1.530 6.787 0.155 381 H TYR 51 H TYR 51 1.116 10.518 2.910 382 HA TYR 51 HA TYR 51 2.704 12.943 3.337 383 1HB TYR 51 1HB TYR 51 -0.076 12.122 4.245 384 2HB TYR 51 2HB TYR 51 0.914 12.950 5.431 385 HD1 TYR 51 1HD TYR 51 -0.369 13.298 1.932 386 HD2 TYR 51 2HD TYR 51 0.998 15.293 5.462 387 HE1 TYR 51 1HE TYR 51 -1.032 15.540 0.931 388 HE2 TYR 51 2HE TYR 51 0.331 17.527 4.449 389 HH TYR 51 HH TYR 51 -0.113 18.528 2.438 390 H ALA 52 H ALA 52 3.844 12.988 5.393 391 HA ALA 52 HA ALA 52 3.968 10.347 6.677 392 1HB ALA 52 1HB ALA 52 6.293 12.205 6.026 393 2HB ALA 52 2HB ALA 52 6.400 10.633 6.855 394 3HB ALA 52 3HB ALA 52 5.894 10.708 5.150 395 H ALA 53 H ALA 53 3.976 10.366 8.916 396 HA ALA 53 HA ALA 53 3.184 12.798 10.155 397 1HB ALA 53 1HB ALA 53 3.744 9.962 11.043 398 2HB ALA 53 2HB ALA 53 3.453 11.247 12.240 399 3HB ALA 53 3HB ALA 53 2.204 10.854 11.035 400 H ASP 54 H ASP 54 4.909 14.295 9.803 401 HA ASP 54 HA ASP 54 7.520 13.924 10.086 402 1HB ASP 54 1HB ASP 54 5.709 16.216 10.873 403 2HB ASP 54 2HB ASP 54 7.418 16.337 11.240 404 H ARG 55 H ARG 55 8.992 14.701 12.026 405 HA ARG 55 HA ARG 55 8.361 13.091 14.220 406 1HB ARG 55 1HB ARG 55 10.663 14.330 13.171 407 2HB ARG 55 2HB ARG 55 10.442 15.135 14.712 408 1HG ARG 55 1HG ARG 55 11.054 13.283 15.893 409 2HG ARG 55 2HG ARG 55 10.018 12.233 14.947 410 1HD ARG 55 1HD ARG 55 12.298 13.156 13.346 411 2HD ARG 55 2HD ARG 55 12.847 12.390 14.823 412 HE ARG 55 HE ARG 55 10.743 10.845 13.537 413 1HH1 ARG 55 2HH2 ARG 55 14.191 11.539 13.453 414 2HH1 ARG 55 1HH2 ARG 55 14.606 10.030 12.710 415 1HH2 ARG 55 2HH1 ARG 55 11.290 8.855 12.556 416 2HH2 ARG 55 1HH1 ARG 55 12.944 8.494 12.196 417 H ASN 56 H ASN 56 7.259 16.164 13.316 418 HA ASN 56 HA ASN 56 7.116 17.123 16.041 419 1HB ASN 56 1HB ASN 56 7.407 18.389 13.512 420 2HB ASN 56 2HB ASN 56 5.773 18.781 14.011 421 1HD2 ASN 56 1HD2 ASN 56 6.486 20.955 14.167 422 2HD2 ASN 56 2HD2 ASN 56 7.328 21.535 15.564 423 H CYS 57 H CYS 57 5.521 14.840 14.478 424 HA CYS 57 HA CYS 57 3.499 13.993 14.493 425 1HB CYS 57 1HB CYS 57 3.147 15.993 16.729 426 2HB CYS 57 2HB CYS 57 1.818 14.976 16.206 427 HG CYS 57 HG CYS 57 4.781 13.645 16.614 428 H MET 58 H MET 58 4.102 15.757 12.414 429 HA MET 58 HA MET 58 1.475 16.890 11.944 430 1HB MET 58 1HB MET 58 4.065 18.338 12.174 431 2HB MET 58 2HB MET 58 3.237 18.680 10.668 432 1HG MET 58 1HG MET 58 1.963 18.920 13.437 433 2HG MET 58 2HG MET 58 2.598 20.267 12.515 434 1HE MET 58 1HE MET 58 1.816 21.306 10.784 435 2HE MET 58 2HE MET 58 1.318 20.254 9.437 436 3HE MET 58 3HE MET 58 0.130 21.329 10.214 437 H TRP 59 H TRP 59 0.772 15.632 10.259 438 HA TRP 59 HA TRP 59 2.200 14.124 8.565 439 1HB TRP 59 1HB TRP 59 -0.185 15.697 7.612 440 2HB TRP 59 2HB TRP 59 0.335 14.098 7.116 441 HD1 TRP 59 HD TRP 59 -1.868 15.800 9.659 442 HE1 TRP 59 1HE TRP 59 -3.029 14.087 11.296 443 HE3 TRP 59 3HE TRP 59 0.936 11.785 8.290 444 HZ2 TRP 59 2HZ TRP 59 -2.652 11.308 11.824 445 HZ3 TRP 59 3HZ TRP 59 0.475 9.608 9.414 446 HH2 TRP 59 HH TRP 59 -1.248 9.332 11.126 447 H SER 60 H SER 60 3.246 14.389 6.520 448 HA SER 60 HA SER 60 3.539 17.131 5.631 449 1HB SER 60 1HB SER 60 6.049 16.616 5.281 450 2HB SER 60 2HB SER 60 5.521 16.959 6.916 451 HG SER 60 HG SER 60 6.330 14.478 5.754 452 H LYS 61 H LYS 61 3.173 17.214 3.441 453 HA LYS 61 HA LYS 61 2.679 14.882 1.981 454 1HB LYS 61 1HB LYS 61 1.739 17.206 1.608 455 2HB LYS 61 2HB LYS 61 3.266 17.634 0.866 456 1HG LYS 61 1HG LYS 61 2.076 15.092 -0.137 457 2HG LYS 61 2HG LYS 61 1.126 16.523 -0.482 458 1HD LYS 61 1HD LYS 61 4.018 16.916 -0.980 459 2HD LYS 61 2HD LYS 61 3.330 15.634 -1.955 460 1HE LYS 61 1HE LYS 61 2.593 17.270 -3.356 461 2HE LYS 61 2HE LYS 61 1.385 17.630 -2.140 462 1HZ LYS 61 1HZ LYS 61 3.500 18.924 -1.193 463 2HZ LYS 61 2HZ LYS 61 3.771 19.064 -2.797 464 3HZ LYS 61 3HZ LYS 61 2.371 19.608 -2.155 465 H LYS 62 H LYS 62 3.906 13.665 0.555 466 HA LYS 62 HA LYS 62 6.761 14.352 0.538 467 1HB LYS 62 1HB LYS 62 5.770 12.162 1.645 468 2HB LYS 62 2HB LYS 62 5.752 11.582 -0.008 469 1HG LYS 62 1HG LYS 62 8.279 12.937 0.526 470 2HG LYS 62 2HG LYS 62 7.989 11.726 1.758 471 1HD LYS 62 1HD LYS 62 7.762 9.963 0.109 472 2HD LYS 62 2HD LYS 62 7.674 11.113 -1.210 473 1HE LYS 62 1HE LYS 62 9.938 11.176 -1.400 474 2HE LYS 62 2HE LYS 62 10.124 11.567 0.299 475 1HZ LYS 62 1HZ LYS 62 9.383 8.855 -0.159 476 2HZ LYS 62 2HZ LYS 62 10.817 9.244 -0.832 477 3HZ LYS 62 3HZ LYS 62 10.581 9.463 0.769 478 H CYS 63 H CYS 63 3.954 13.183 -1.392 479 HA CYS 63 HA CYS 63 4.560 14.621 -3.617 480 1HB CYS 63 1HB CYS 63 6.321 12.317 -3.411 481 2HB CYS 63 2HB CYS 63 5.323 12.211 -4.848 482 HG CYS 63 HG CYS 63 6.576 15.109 -3.977 483 H SER 64 H SER 64 2.310 14.765 -3.813 484 HA SER 64 HA SER 64 0.718 12.432 -3.565 485 1HB SER 64 1HB SER 64 -0.157 15.126 -4.676 486 2HB SER 64 2HB SER 64 -1.161 13.913 -3.908 487 HG SER 64 HG SER 64 0.879 15.541 -2.661 488 H GLY 65 H GLY 65 -1.080 12.136 -5.433 489 1HA GLY 65 1HA GLY 65 -0.782 12.739 -8.042 490 2HA GLY 65 2HA GLY 65 0.411 11.476 -7.821 491 H VAL 66 H VAL 66 -0.796 10.035 -9.219 492 HA VAL 66 HA VAL 66 -3.384 9.191 -8.150 493 HB VAL 66 HB VAL 66 -2.101 8.444 -10.777 494 1HG1 VAL 66 1HG1 VAL 66 -3.977 7.033 -9.973 495 2HG1 VAL 66 2HG1 VAL 66 -5.010 8.481 -9.905 496 3HG1 VAL 66 3HG1 VAL 66 -4.371 7.916 -11.468 497 1HG2 VAL 66 1HG2 VAL 66 -2.191 10.778 -10.963 498 2HG2 VAL 66 2HG2 VAL 66 -3.725 10.240 -11.688 499 3HG2 VAL 66 3HG2 VAL 66 -3.704 10.891 -10.031 500 H ALA 67 H ALA 67 -3.617 7.265 -7.110 501 HA ALA 67 HA ALA 67 -1.259 5.510 -7.125 502 1HB ALA 67 1HB ALA 67 -2.267 6.753 -4.983 503 2HB ALA 67 2HB ALA 67 -3.380 5.364 -5.008 504 3HB ALA 67 3HB ALA 67 -1.625 5.095 -4.883 505 H CYS 68 H CYS 68 -1.660 3.176 -7.129 506 HA CYS 68 HA CYS 68 -4.338 2.456 -8.025 507 1HB CYS 68 1HB CYS 68 -2.237 2.738 -9.834 508 2HB CYS 68 2HB CYS 68 -2.263 1.016 -9.506 509 HG CYS 68 HG CYS 68 -3.841 2.373 -11.575 510 H LEU 69 H LEU 69 -4.989 0.455 -7.171 511 HA LEU 69 HA LEU 69 -2.997 -0.850 -5.464 512 1HB LEU 69 1HB LEU 69 -5.019 0.109 -4.403 513 2HB LEU 69 2HB LEU 69 -6.014 -0.971 -5.361 514 HG LEU 69 HG LEU 69 -3.885 -1.997 -3.478 515 1HD1 LEU 69 1HD1 LEU 69 -5.678 -0.486 -2.393 516 2HD1 LEU 69 2HD1 LEU 69 -6.794 -1.832 -2.726 517 3HD1 LEU 69 3HD1 LEU 69 -5.370 -2.092 -1.691 518 1HD2 LEU 69 1HD2 LEU 69 -5.507 -3.995 -3.505 519 2HD2 LEU 69 2HD2 LEU 69 -6.204 -3.230 -4.954 520 3HD2 LEU 69 3HD2 LEU 69 -4.491 -3.711 -4.940 521 H VAL 70 H VAL 70 -2.002 -2.523 -6.459 522 HA VAL 70 HA VAL 70 -3.643 -4.135 -8.282 523 HB VAL 70 HB VAL 70 -0.720 -3.455 -8.145 524 1HG1 VAL 70 1HG1 VAL 70 -0.625 -5.827 -8.343 525 2HG1 VAL 70 2HG1 VAL 70 -1.971 -5.856 -9.508 526 3HG1 VAL 70 3HG1 VAL 70 -0.397 -5.175 -9.983 527 1HG2 VAL 70 1HG2 VAL 70 -1.786 -3.556 -10.789 528 2HG2 VAL 70 2HG2 VAL 70 -2.951 -2.684 -9.764 529 3HG2 VAL 70 3HG2 VAL 70 -1.260 -2.134 -9.857 530 H LYS 71 H LYS 71 -3.365 -6.493 -8.194 531 HA LYS 71 HA LYS 71 -2.156 -7.482 -5.742 532 1HB LYS 71 1HB LYS 71 -4.099 -8.552 -4.929 533 2HB LYS 71 2HB LYS 71 -4.567 -6.897 -5.262 534 1HG LYS 71 1HG LYS 71 -6.299 -7.852 -6.415 535 2HG LYS 71 2HG LYS 71 -5.117 -8.039 -7.695 536 1HD LYS 71 1HD LYS 71 -4.629 -10.327 -7.033 537 2HD LYS 71 2HD LYS 71 -5.528 -10.155 -5.540 538 1HE LYS 71 1HE LYS 71 -6.826 -9.869 -8.288 539 2HE LYS 71 2HE LYS 71 -6.737 -11.398 -7.437 540 1HZ LYS 71 1HZ LYS 71 -8.148 -10.657 -5.825 541 2HZ LYS 71 2HZ LYS 71 -7.813 -9.075 -6.053 542 3HZ LYS 71 3HZ LYS 71 -8.757 -9.872 -7.121 543 H ASP 72 H ASP 72 -0.790 -9.051 -6.382 544 HA ASP 72 HA ASP 72 -1.018 -10.153 -8.952 545 1HB ASP 72 1HB ASP 72 0.810 -10.313 -6.629 546 2HB ASP 72 2HB ASP 72 0.699 -11.829 -7.502 547 H ASN 73 H ASN 73 -2.032 -12.097 -9.572 548 HA ASN 73 HA ASN 73 -3.615 -13.385 -7.597 549 1HB ASN 73 1HB ASN 73 -3.617 -13.112 -10.455 550 2HB ASN 73 2HB ASN 73 -3.494 -14.830 -10.132 551 1HD2 ASN 73 1HD2 ASN 73 -5.690 -13.383 -11.279 552 2HD2 ASN 73 2HD2 ASN 73 -7.081 -13.617 -10.272 553 HA PRO 74 HA PRO 74 -0.519 -16.830 -8.789 554 1HB PRO 74 1HB PRO 74 1.671 -16.210 -10.300 555 2HB PRO 74 2HB PRO 74 0.194 -16.865 -10.978 556 1HG PRO 74 1HG PRO 74 1.214 -14.092 -11.087 557 2HG PRO 74 2HG PRO 74 -0.006 -14.853 -12.088 558 1HD PRO 74 1HD PRO 74 -0.458 -13.020 -9.929 559 2HD PRO 74 2HD PRO 74 -1.679 -13.871 -10.854 560 H GLN 75 H GLN 75 1.149 -13.748 -8.466 561 HA GLN 75 HA GLN 75 3.094 -14.898 -6.770 562 1HB GLN 75 1HB GLN 75 2.531 -12.290 -7.989 563 2HB GLN 75 2HB GLN 75 3.089 -12.111 -6.337 564 1HG GLN 75 1HG GLN 75 5.156 -13.198 -6.776 565 2HG GLN 75 2HG GLN 75 4.547 -13.997 -8.211 566 1HE2 GLN 75 1HE2 GLN 75 3.778 -12.501 -9.977 567 2HE2 GLN 75 2HE2 GLN 75 4.763 -11.126 -10.350 568 H ARG 76 H ARG 76 -0.159 -14.381 -6.302 569 HA ARG 76 HA ARG 76 -1.440 -13.816 -4.605 570 1HB ARG 76 1HB ARG 76 -0.411 -16.214 -4.207 571 2HB ARG 76 2HB ARG 76 0.460 -15.459 -2.887 572 1HG ARG 76 1HG ARG 76 -1.609 -14.795 -1.788 573 2HG ARG 76 2HG ARG 76 -2.567 -15.239 -3.186 574 1HD ARG 76 1HD ARG 76 -0.861 -17.284 -1.702 575 2HD ARG 76 2HD ARG 76 -2.504 -16.923 -1.209 576 HE ARG 76 HE ARG 76 -2.319 -17.500 -4.062 577 1HH1 ARG 76 2HH2 ARG 76 -2.543 -18.969 -0.872 578 2HH1 ARG 76 1HH2 ARG 76 -3.241 -20.442 -1.458 579 1HH2 ARG 76 2HH1 ARG 76 -3.240 -19.443 -4.837 580 2HH2 ARG 76 1HH1 ARG 76 -3.641 -20.713 -3.729 581 H SER 77 H SER 77 0.001 -11.579 -4.877 582 HA SER 77 HA SER 77 0.406 -10.774 -2.160 583 1HB SER 77 1HB SER 77 2.633 -9.645 -2.817 584 2HB SER 77 2HB SER 77 2.668 -11.373 -2.534 585 HG SER 77 HG SER 77 2.057 -10.857 -5.173 586 H TYR 78 H TYR 78 0.280 -8.417 -1.922 587 HA TYR 78 HA TYR 78 -0.833 -7.145 -4.328 588 1HB TYR 78 1HB TYR 78 -1.107 -6.356 -1.373 589 2HB TYR 78 2HB TYR 78 -2.158 -5.870 -2.689 590 HD1 TYR 78 1HD TYR 78 -2.976 -7.133 -0.010 591 HD2 TYR 78 2HD TYR 78 -2.232 -8.812 -3.875 592 HE1 TYR 78 1HE TYR 78 -4.540 -9.065 0.521 593 HE2 TYR 78 2HE TYR 78 -3.799 -10.739 -3.330 594 HH TYR 78 HH TYR 78 -5.710 -10.732 -0.385 595 H PHE 79 H PHE 79 -0.345 -4.869 -4.695 596 HA PHE 79 HA PHE 79 1.915 -3.845 -3.174 597 1HB PHE 79 1HB PHE 79 1.728 -4.047 -6.240 598 2HB PHE 79 2HB PHE 79 3.076 -3.359 -5.356 599 HD1 PHE 79 1HD PHE 79 1.181 -6.555 -5.679 600 HD2 PHE 79 2HD PHE 79 4.911 -4.692 -4.889 601 HE1 PHE 79 1HE PHE 79 2.293 -8.805 -5.625 602 HE2 PHE 79 2HE PHE 79 6.022 -6.941 -4.834 603 HZ PHE 79 HZ PHE 79 4.701 -8.970 -5.202 604 H LEU 80 H LEU 80 1.642 -1.704 -2.718 605 HA LEU 80 HA LEU 80 -0.343 -0.279 -4.350 606 1HB LEU 80 1HB LEU 80 -0.274 -0.786 -1.582 607 2HB LEU 80 2HB LEU 80 0.140 0.907 -1.768 608 HG LEU 80 HG LEU 80 -2.132 0.212 -3.440 609 1HD1 LEU 80 1HD1 LEU 80 -3.717 -0.066 -1.465 610 2HD1 LEU 80 2HD1 LEU 80 -2.742 -1.482 -1.923 611 3HD1 LEU 80 3HD1 LEU 80 -2.281 -0.504 -0.510 612 1HD2 LEU 80 1HD2 LEU 80 -1.282 2.303 -1.538 613 2HD2 LEU 80 2HD2 LEU 80 -2.119 2.434 -3.104 614 3HD2 LEU 80 3HD2 LEU 80 -3.038 2.029 -1.634 615 H ARG 81 H ARG 81 0.652 1.044 -5.772 616 HA ARG 81 HA ARG 81 2.974 2.465 -4.740 617 1HB ARG 81 1HB ARG 81 2.488 1.541 -7.618 618 2HB ARG 81 2HB ARG 81 3.876 2.467 -7.082 619 1HG ARG 81 1HG ARG 81 4.074 0.433 -5.311 620 2HG ARG 81 2HG ARG 81 3.205 -0.424 -6.568 621 1HD ARG 81 1HD ARG 81 5.505 1.233 -7.522 622 2HD ARG 81 2HD ARG 81 5.940 -0.133 -6.516 623 HE ARG 81 HE ARG 81 4.718 -0.243 -9.197 624 1HH1 ARG 81 2HH2 ARG 81 5.502 -2.012 -6.258 625 2HH1 ARG 81 1HH2 ARG 81 5.414 -3.566 -7.017 626 1HH2 ARG 81 2HH1 ARG 81 4.602 -2.293 -10.200 627 2HH2 ARG 81 1HH1 ARG 81 4.899 -3.727 -9.274 628 H ILE 82 H ILE 82 3.321 4.653 -5.815 629 HA ILE 82 HA ILE 82 0.771 5.739 -6.789 630 HB ILE 82 HB ILE 82 2.657 6.771 -4.701 631 1HG1 ILE 82 1HG1 ILE 82 -0.322 7.023 -4.625 632 2HG1 ILE 82 2HG1 ILE 82 0.373 5.429 -4.413 633 1HG2 ILE 82 1HG2 ILE 82 2.611 8.649 -6.106 634 2HG2 ILE 82 2HG2 ILE 82 0.899 8.407 -6.527 635 3HG2 ILE 82 3HG2 ILE 82 1.344 8.956 -4.893 636 1HD1 ILE 82 1HD1 ILE 82 0.613 6.021 -2.226 637 2HD1 ILE 82 2HD1 ILE 82 2.006 6.980 -2.784 638 3HD1 ILE 82 3HD1 ILE 82 0.413 7.753 -2.588 639 H PHE 83 H PHE 83 0.884 7.223 -8.507 640 HA PHE 83 HA PHE 83 3.577 7.524 -9.640 641 1HB PHE 83 1HB PHE 83 1.787 7.683 -11.764 642 2HB PHE 83 2HB PHE 83 2.608 6.206 -11.303 643 HD1 PHE 83 1HD PHE 83 1.370 4.883 -9.323 644 HD2 PHE 83 2HD PHE 83 -0.501 7.591 -12.000 645 HE1 PHE 83 1HE PHE 83 -0.845 3.791 -8.879 646 HE2 PHE 83 2HE PHE 83 -2.717 6.499 -11.557 647 HZ PHE 83 HZ PHE 83 -2.863 4.610 -10.001 648 H ASP 84 H ASP 84 4.092 9.539 -10.580 649 HA ASP 84 HA ASP 84 2.608 11.690 -9.533 650 1HB ASP 84 1HB ASP 84 5.180 11.444 -10.135 651 2HB ASP 84 2HB ASP 84 4.677 11.952 -11.735 652 H ILE 85 H ILE 85 1.651 13.472 -10.912 653 HA ILE 85 HA ILE 85 0.544 12.357 -13.386 654 HB ILE 85 HB ILE 85 -1.124 12.822 -11.738 655 1HG1 ILE 85 1HG1 ILE 85 -1.287 15.101 -13.713 656 2HG1 ILE 85 2HG1 ILE 85 -1.445 13.429 -14.216 657 1HG2 ILE 85 1HG2 ILE 85 -1.484 15.135 -10.878 658 2HG2 ILE 85 2HG2 ILE 85 0.012 14.365 -10.296 659 3HG2 ILE 85 3HG2 ILE 85 0.085 15.594 -11.582 660 1HD1 ILE 85 1HD1 ILE 85 -3.424 15.128 -12.971 661 2HD1 ILE 85 2HD1 ILE 85 -3.616 13.470 -13.588 662 3HD1 ILE 85 3HD1 ILE 85 -3.105 13.739 -11.905 663 H LYS 86 H LYS 86 2.934 14.437 -12.188 664 HA LYS 86 HA LYS 86 2.771 16.098 -14.603 665 1HB LYS 86 1HB LYS 86 2.917 16.887 -11.943 666 2HB LYS 86 2HB LYS 86 4.574 17.029 -12.493 667 1HG LYS 86 1HG LYS 86 3.057 18.073 -14.632 668 2HG LYS 86 2HG LYS 86 2.231 18.660 -13.203 669 1HD LYS 86 1HD LYS 86 3.824 20.257 -12.998 670 2HD LYS 86 2HD LYS 86 4.984 18.997 -12.623 671 1HE LYS 86 1HE LYS 86 4.418 19.236 -15.526 672 2HE LYS 86 2HE LYS 86 5.100 20.695 -14.834 673 1HZ LYS 86 1HZ LYS 86 6.548 18.636 -15.593 674 2HZ LYS 86 2HZ LYS 86 7.028 19.672 -14.426 675 3HZ LYS 86 3HZ LYS 86 6.355 18.241 -14.020 676 H ASP 87 H ASP 87 4.860 14.085 -12.478 677 HA ASP 87 HA ASP 87 6.965 14.303 -14.440 678 1HB ASP 87 1HB ASP 87 6.996 14.146 -11.691 679 2HB ASP 87 2HB ASP 87 7.244 12.460 -12.102 680 H GLY 88 H GLY 88 4.230 12.371 -13.637 681 1HA GLY 88 1HA GLY 88 3.551 10.279 -14.148 682 2HA GLY 88 2HA GLY 88 4.372 10.579 -15.667 683 H LYS 89 H LYS 89 5.593 10.073 -12.277 684 HA LYS 89 HA LYS 89 6.880 7.625 -13.191 685 1HB LYS 89 1HB LYS 89 8.303 10.089 -12.207 686 2HB LYS 89 2HB LYS 89 8.976 8.501 -11.900 687 1HG LYS 89 1HG LYS 89 8.085 9.288 -14.697 688 2HG LYS 89 2HG LYS 89 9.665 9.754 -14.099 689 1HD LYS 89 1HD LYS 89 10.449 7.547 -14.014 690 2HD LYS 89 2HD LYS 89 8.851 6.871 -13.774 691 1HE LYS 89 1HE LYS 89 8.264 7.446 -16.151 692 2HE LYS 89 2HE LYS 89 9.880 8.081 -16.385 693 1HZ LYS 89 1HZ LYS 89 10.706 5.862 -15.754 694 2HZ LYS 89 2HZ LYS 89 9.170 5.307 -15.740 695 3HZ LYS 89 3HZ LYS 89 9.827 5.858 -17.130 696 H LEU 90 H LEU 90 7.950 6.521 -11.156 697 HA LEU 90 HA LEU 90 5.857 6.216 -9.283 698 1HB LEU 90 1HB LEU 90 8.266 4.879 -10.059 699 2HB LEU 90 2HB LEU 90 8.265 5.069 -8.317 700 HG LEU 90 HG LEU 90 6.063 3.777 -9.951 701 1HD1 LEU 90 1HD1 LEU 90 8.180 2.482 -9.862 702 2HD1 LEU 90 2HD1 LEU 90 8.068 2.483 -8.085 703 3HD1 LEU 90 3HD1 LEU 90 6.815 1.671 -9.055 704 1HD2 LEU 90 1HD2 LEU 90 4.728 3.956 -8.192 705 2HD2 LEU 90 2HD2 LEU 90 5.935 3.145 -7.164 706 3HD2 LEU 90 3HD2 LEU 90 5.971 4.915 -7.353 707 H LEU 91 H LEU 91 5.460 7.254 -7.393 708 HA LEU 91 HA LEU 91 7.583 9.053 -6.451 709 1HB LEU 91 1HB LEU 91 4.577 9.303 -6.339 710 2HB LEU 91 2HB LEU 91 5.668 10.328 -5.429 711 HG LEU 91 HG LEU 91 5.375 10.147 -8.433 712 1HD1 LEU 91 1HD1 LEU 91 4.142 11.995 -8.297 713 2HD1 LEU 91 2HD1 LEU 91 4.053 11.693 -6.545 714 3HD1 LEU 91 3HD1 LEU 91 5.300 12.783 -7.197 715 1HD2 LEU 91 1HD2 LEU 91 7.146 11.964 -8.470 716 2HD2 LEU 91 2HD2 LEU 91 7.547 11.476 -6.806 717 3HD2 LEU 91 3HD2 LEU 91 7.713 10.309 -8.139 718 H TRP 92 H TRP 92 5.557 6.290 -5.785 719 HA TRP 92 HA TRP 92 6.930 5.864 -3.319 720 1HB TRP 92 1HB TRP 92 5.361 7.365 -2.382 721 2HB TRP 92 2HB TRP 92 4.025 6.665 -3.274 722 HD1 TRP 92 HD TRP 92 6.337 5.811 -0.277 723 HE1 TRP 92 1HE TRP 92 5.194 4.046 1.319 724 HE3 TRP 92 3HE TRP 92 2.311 4.940 -3.258 725 HZ2 TRP 92 2HZ TRP 92 2.789 2.518 1.159 726 HZ3 TRP 92 3HZ TRP 92 0.612 3.297 -2.464 727 HH2 TRP 92 HH TRP 92 0.803 2.105 -0.338 728 H GLU 93 H GLU 93 6.674 3.635 -2.654 729 HA GLU 93 HA GLU 93 4.848 2.036 -4.181 730 1HB GLU 93 1HB GLU 93 6.795 0.438 -4.795 731 2HB GLU 93 2HB GLU 93 6.599 1.888 -5.758 732 1HG GLU 93 1HG GLU 93 8.267 2.525 -3.476 733 2HG GLU 93 2HG GLU 93 8.895 1.074 -4.231 734 H GLN 94 H GLN 94 4.061 0.382 -2.912 735 HA GLN 94 HA GLN 94 5.679 -0.292 -0.582 736 1HB GLN 94 1HB GLN 94 3.943 1.007 0.362 737 2HB GLN 94 2HB GLN 94 2.738 0.395 -0.753 738 1HG GLN 94 1HG GLN 94 2.254 -1.395 0.576 739 2HG GLN 94 2HG GLN 94 3.947 -1.776 0.825 740 1HE2 GLN 94 1HE2 GLN 94 2.645 -2.228 2.942 741 2HE2 GLN 94 2HE2 GLN 94 2.737 -0.992 4.153 742 H GLU 95 H GLU 95 5.874 -2.493 -0.120 743 HA GLU 95 HA GLU 95 4.576 -4.218 -2.068 744 1HB GLU 95 1HB GLU 95 7.151 -4.124 -1.767 745 2HB GLU 95 2HB GLU 95 6.898 -4.971 -0.255 746 1HG GLU 95 1HG GLU 95 5.852 -6.861 -1.397 747 2HG GLU 95 2HG GLU 95 5.811 -5.990 -2.917 748 H LEU 96 H LEU 96 2.528 -4.050 -0.784 749 HA LEU 96 HA LEU 96 2.059 -4.566 1.763 750 1HB LEU 96 1HB LEU 96 0.606 -5.858 -0.550 751 2HB LEU 96 2HB LEU 96 -0.018 -5.693 1.079 752 HG LEU 96 HG LEU 96 0.755 -3.329 -0.646 753 1HD1 LEU 96 1HD1 LEU 96 -0.983 -4.419 -1.844 754 2HD1 LEU 96 2HD1 LEU 96 -1.917 -4.717 -0.358 755 3HD1 LEU 96 3HD1 LEU 96 -1.728 -3.057 -0.972 756 1HD2 LEU 96 1HD2 LEU 96 -1.194 -2.561 1.172 757 2HD2 LEU 96 2HD2 LEU 96 -0.141 -3.648 2.108 758 3HD2 LEU 96 3HD2 LEU 96 0.552 -2.233 1.281 759 H TYR 97 H TYR 97 1.846 -6.353 3.197 760 HA TYR 97 HA TYR 97 3.273 -8.753 2.262 761 1HB TYR 97 1HB TYR 97 3.653 -8.747 4.948 762 2HB TYR 97 2HB TYR 97 4.696 -7.794 3.911 763 HD1 TYR 97 1HD TYR 97 1.812 -7.645 6.227 764 HD2 TYR 97 2HD TYR 97 4.655 -5.387 3.964 765 HE1 TYR 97 1HE TYR 97 1.156 -5.539 7.491 766 HE2 TYR 97 2HE TYR 97 3.989 -3.289 5.235 767 HH TYR 97 HH TYR 97 1.202 -3.179 7.199 768 H ASN 98 H ASN 98 2.689 -10.776 3.466 769 HA ASN 98 HA ASN 98 0.042 -11.279 3.303 770 1HB ASN 98 1HB ASN 98 2.405 -12.659 4.176 771 2HB ASN 98 2HB ASN 98 1.207 -12.906 5.431 772 1HD2 ASN 98 1HD2 ASN 98 -0.059 -14.572 5.197 773 2HD2 ASN 98 2HD2 ASN 98 -0.531 -15.340 3.717 774 H ASN 99 H ASN 99 -1.700 -11.417 4.889 775 HA ASN 99 HA ASN 99 -2.864 -10.842 6.623 776 1HB ASN 99 1HB ASN 99 -0.286 -11.619 7.769 777 2HB ASN 99 2HB ASN 99 -0.994 -10.342 8.738 778 1HD2 ASN 99 1HD2 ASN 99 -1.162 -13.618 7.723 779 2HD2 ASN 99 2HD2 ASN 99 -2.499 -14.139 8.693 780 H PHE 100 H PHE 100 -2.710 -8.730 5.090 781 HA PHE 100 HA PHE 100 -1.474 -6.537 6.578 782 1HB PHE 100 1HB PHE 100 -1.163 -7.121 4.012 783 2HB PHE 100 2HB PHE 100 -2.800 -6.529 3.813 784 HD1 PHE 100 1HD PHE 100 0.637 -5.569 4.716 785 HD2 PHE 100 2HD PHE 100 -3.283 -4.185 3.860 786 HE1 PHE 100 1HE PHE 100 1.508 -3.224 4.513 787 HE2 PHE 100 2HE PHE 100 -2.411 -1.840 3.657 788 HZ PHE 100 HZ PHE 100 -0.026 -1.388 3.986 789 H VAL 101 H VAL 101 -2.678 -4.680 7.193 790 HA VAL 101 HA VAL 101 -5.587 -4.990 6.929 791 HB VAL 101 HB VAL 101 -3.941 -4.236 9.344 792 1HG1 VAL 101 1HG1 VAL 101 -6.038 -3.733 10.505 793 2HG1 VAL 101 2HG1 VAL 101 -5.810 -2.648 9.113 794 3HG1 VAL 101 3HG1 VAL 101 -6.952 -4.010 9.003 795 1HG2 VAL 101 1HG2 VAL 101 -4.160 -6.582 9.237 796 2HG2 VAL 101 2HG2 VAL 101 -5.431 -6.056 10.366 797 3HG2 VAL 101 3HG2 VAL 101 -5.852 -6.487 8.692 798 H TYR 102 H TYR 102 -6.786 -2.924 6.992 799 HA TYR 102 HA TYR 102 -5.071 -0.694 6.121 800 1HB TYR 102 1HB TYR 102 -6.904 -2.157 4.647 801 2HB TYR 102 2HB TYR 102 -7.992 -0.986 5.364 802 HD1 TYR 102 1HD TYR 102 -4.472 -0.420 4.249 803 HD2 TYR 102 2HD TYR 102 -8.619 0.330 3.513 804 HE1 TYR 102 1HE TYR 102 -3.856 1.263 2.445 805 HE2 TYR 102 2HE TYR 102 -7.989 2.010 1.712 806 HH TYR 102 HH TYR 102 -6.322 3.236 0.902 807 H ASN 103 H ASN 103 -5.136 1.044 7.450 808 HA ASN 103 HA ASN 103 -7.144 1.098 9.476 809 1HB ASN 103 1HB ASN 103 -4.679 2.751 8.811 810 2HB ASN 103 2HB ASN 103 -5.834 3.365 9.979 811 1HD2 ASN 103 1HD2 ASN 103 -3.724 0.666 9.162 812 2HD2 ASN 103 2HD2 ASN 103 -3.479 0.061 10.766 813 H SER 104 H SER 104 -8.423 3.187 9.874 814 HA SER 104 HA SER 104 -8.569 5.155 7.927 815 1HB SER 104 1HB SER 104 -10.645 4.653 6.792 816 2HB SER 104 2HB SER 104 -9.588 3.268 6.599 817 HG SER 104 HG SER 104 -11.650 3.487 8.623 818 HA PRO 105 HA PRO 105 -10.603 5.756 11.982 819 1HB PRO 105 1HB PRO 105 -8.873 7.590 13.038 820 2HB PRO 105 2HB PRO 105 -8.769 5.872 13.369 821 1HG PRO 105 1HG PRO 105 -7.067 7.527 11.606 822 2HG PRO 105 2HG PRO 105 -6.739 5.942 12.277 823 1HD PRO 105 1HD PRO 105 -7.529 6.536 9.584 824 2HD PRO 105 2HD PRO 105 -7.313 4.945 10.286 825 H ARG 106 H ARG 106 -9.837 7.519 9.276 826 HA ARG 106 HA ARG 106 -11.583 9.645 10.230 827 1HB ARG 106 1HB ARG 106 -9.009 9.857 9.143 828 2HB ARG 106 2HB ARG 106 -10.033 10.196 7.761 829 1HG ARG 106 1HG ARG 106 -9.752 12.328 8.746 830 2HG ARG 106 2HG ARG 106 -11.322 11.825 9.341 831 1HD ARG 106 1HD ARG 106 -9.093 10.910 11.067 832 2HD ARG 106 2HD ARG 106 -9.171 12.655 10.924 833 HE ARG 106 HE ARG 106 -11.061 10.960 12.325 834 1HH1 ARG 106 2HH2 ARG 106 -10.806 13.957 10.498 835 2HH1 ARG 106 1HH2 ARG 106 -12.186 14.683 11.250 836 1HH2 ARG 106 2HH1 ARG 106 -12.884 11.916 13.317 837 2HH2 ARG 106 1HH1 ARG 106 -13.377 13.514 12.864 838 H GLY 107 H GLY 107 -12.396 10.826 7.872 839 1HA GLY 107 1HA GLY 107 -14.267 8.938 6.841 840 2HA GLY 107 2HA GLY 107 -14.043 10.603 6.342 841 H TYR 108 H TYR 108 -11.558 10.842 5.318 842 HA TYR 108 HA TYR 108 -11.274 8.634 3.402 843 1HB TYR 108 1HB TYR 108 -10.790 10.600 1.760 844 2HB TYR 108 2HB TYR 108 -12.463 10.442 2.256 845 HD1 TYR 108 1HD TYR 108 -13.203 11.886 4.320 846 HD2 TYR 108 2HD TYR 108 -9.701 12.658 1.985 847 HE1 TYR 108 1HE TYR 108 -13.180 14.295 5.136 848 HE2 TYR 108 2HE TYR 108 -9.692 15.064 2.808 849 HH TYR 108 HH TYR 108 -11.775 16.098 5.376 850 H PHE 109 H PHE 109 -9.737 8.819 5.741 851 HA PHE 109 HA PHE 109 -7.159 9.517 4.562 852 1HB PHE 109 1HB PHE 109 -8.260 11.260 6.241 853 2HB PHE 109 2HB PHE 109 -7.941 10.057 7.476 854 HD1 PHE 109 1HD PHE 109 -6.578 12.744 5.562 855 HD2 PHE 109 2HD PHE 109 -5.522 9.298 7.801 856 HE1 PHE 109 1HE PHE 109 -4.243 13.626 5.816 857 HE2 PHE 109 2HE PHE 109 -3.186 10.180 8.056 858 HZ PHE 109 HZ PHE 109 -2.574 12.333 7.061 859 H HIS 110 H HIS 110 -6.265 7.496 4.371 860 HA HIS 110 HA HIS 110 -6.559 5.730 6.685 861 1HB HIS 110 1HB HIS 110 -5.707 4.957 3.887 862 2HB HIS 110 2HB HIS 110 -6.155 3.889 5.202 863 HD2 HIS 110 2HD HIS 110 -8.928 6.105 5.687 864 HE1 HIS 110 1HE HIS 110 -10.144 4.009 2.189 865 HE2 HIS 110 2HE HIS 110 -10.888 5.479 4.185 866 H THR 111 H THR 111 -4.755 5.016 7.805 867 HA THR 111 HA THR 111 -2.192 6.128 6.869 868 HB THR 111 HB THR 111 -1.652 6.071 9.369 869 HG1 THR 111 1HG THR 111 -3.296 4.494 9.926 870 1HG2 THR 111 1HG2 THR 111 -3.649 7.813 8.045 871 2HG2 THR 111 2HG2 THR 111 -3.893 7.697 9.804 872 3HG2 THR 111 3HG2 THR 111 -2.332 8.255 9.157 873 H PHE 112 H PHE 112 -0.252 4.872 7.275 874 HA PHE 112 HA PHE 112 -0.510 2.159 8.064 875 1HB PHE 112 1HB PHE 112 0.064 1.240 5.792 876 2HB PHE 112 2HB PHE 112 -1.472 2.082 5.743 877 HD1 PHE 112 1HD PHE 112 -1.699 4.192 4.559 878 HD2 PHE 112 2HD PHE 112 2.030 2.170 4.693 879 HE1 PHE 112 1HE PHE 112 -0.849 5.635 2.689 880 HE2 PHE 112 2HE PHE 112 2.880 3.612 2.823 881 HZ PHE 112 HZ PHE 112 1.430 5.328 1.844 882 H ALA 113 H ALA 113 1.663 0.958 7.631 883 HA ALA 113 HA ALA 113 3.765 2.862 8.252 884 1HB ALA 113 1HB ALA 113 4.053 1.178 9.749 885 2HB ALA 113 2HB ALA 113 3.168 0.003 8.747 886 3HB ALA 113 3HB ALA 113 4.879 0.355 8.403 887 H GLY 114 H GLY 114 5.122 3.623 6.713 888 1HA GLY 114 1HA GLY 114 5.194 2.223 4.132 889 2HA GLY 114 2HA GLY 114 5.655 3.884 4.446 890 H ASP 115 H ASP 115 6.839 0.786 3.838 891 HA ASP 115 HA ASP 115 8.800 -0.137 3.896 892 1HB ASP 115 1HB ASP 115 9.744 1.761 2.802 893 2HB ASP 115 2HB ASP 115 9.584 2.774 4.222 894 H THR 116 H THR 116 9.906 2.470 6.121 895 HA THR 116 HA THR 116 9.591 0.679 8.416 896 HB THR 116 HB THR 116 11.979 1.122 9.030 897 HG1 THR 116 1HG THR 116 11.919 3.182 7.709 898 1HG2 THR 116 1HG2 THR 116 11.616 -0.900 7.631 899 2HG2 THR 116 2HG2 THR 116 11.631 0.103 6.161 900 3HG2 THR 116 3HG2 THR 116 13.113 -0.079 7.128 901 H CYS 117 H CYS 117 8.616 3.422 7.090 902 HA CYS 117 HA CYS 117 8.762 4.824 9.655 903 1HB CYS 117 1HB CYS 117 8.574 6.954 8.142 904 2HB CYS 117 2HB CYS 117 10.137 6.220 8.439 905 HG CYS 117 HG CYS 117 8.129 5.399 5.941 906 H GLN 118 H GLN 118 6.797 6.096 10.130 907 HA GLN 118 HA GLN 118 4.500 4.813 9.031 908 1HB GLN 118 1HB GLN 118 4.720 5.334 11.466 909 2HB GLN 118 2HB GLN 118 4.722 7.047 11.097 910 1HG GLN 118 1HG GLN 118 2.446 5.566 9.890 911 2HG GLN 118 2HG GLN 118 2.458 5.533 11.642 912 1HE2 GLN 118 1HE2 GLN 118 1.117 6.986 12.380 913 2HE2 GLN 118 2HE2 GLN 118 0.963 8.632 11.864 914 H VAL 119 H VAL 119 3.188 5.582 7.415 915 HA VAL 119 HA VAL 119 3.313 8.439 6.824 916 HB VAL 119 HB VAL 119 3.384 7.837 4.386 917 1HG1 VAL 119 1HG1 VAL 119 5.683 7.482 6.286 918 2HG1 VAL 119 2HG1 VAL 119 5.935 7.193 4.548 919 3HG1 VAL 119 3HG1 VAL 119 5.363 8.781 5.112 920 1HG2 VAL 119 1HG2 VAL 119 2.780 5.507 4.454 921 2HG2 VAL 119 2HG2 VAL 119 4.441 5.633 3.826 922 3HG2 VAL 119 3HG2 VAL 119 4.162 5.127 5.509 923 H ALA 120 H ALA 120 1.389 9.249 5.771 924 HA ALA 120 HA ALA 120 -0.834 7.329 5.820 925 1HB ALA 120 1HB ALA 120 -2.112 8.721 7.124 926 2HB ALA 120 2HB ALA 120 -0.510 9.198 7.733 927 3HB ALA 120 3HB ALA 120 -1.330 10.196 6.509 928 H LEU 121 H LEU 121 -2.607 7.870 4.329 929 HA LEU 121 HA LEU 121 -1.666 9.595 2.145 930 1HB LEU 121 1HB LEU 121 -2.585 8.103 0.564 931 2HB LEU 121 2HB LEU 121 -1.554 7.178 1.636 932 HG LEU 121 HG LEU 121 -3.864 6.735 2.895 933 1HD1 LEU 121 1HD1 LEU 121 -5.540 7.746 1.778 934 2HD1 LEU 121 2HD1 LEU 121 -4.641 7.791 0.241 935 3HD1 LEU 121 3HD1 LEU 121 -5.452 6.292 0.754 936 1HD2 LEU 121 1HD2 LEU 121 -2.201 5.318 1.077 937 2HD2 LEU 121 2HD2 LEU 121 -3.280 4.673 2.336 938 3HD2 LEU 121 3HD2 LEU 121 -3.892 4.928 0.684 939 H ASN 122 H ASN 122 -3.285 10.840 1.032 940 HA ASN 122 HA ASN 122 -5.811 10.941 2.475 941 1HB ASN 122 1HB ASN 122 -4.359 12.858 3.181 942 2HB ASN 122 2HB ASN 122 -4.148 13.326 1.506 943 1HD2 ASN 122 1HD2 ASN 122 -5.528 14.389 4.079 944 2HD2 ASN 122 2HD2 ASN 122 -7.051 14.995 3.523 945 H PHE 123 H PHE 123 -7.312 10.294 0.915 946 HA PHE 123 HA PHE 123 -6.790 10.408 -1.832 947 1HB PHE 123 1HB PHE 123 -9.421 10.270 -0.238 948 2HB PHE 123 2HB PHE 123 -9.246 9.779 -1.911 949 HD1 PHE 123 1HD PHE 123 -7.858 7.773 -2.463 950 HD2 PHE 123 2HD PHE 123 -8.814 8.812 1.539 951 HE1 PHE 123 1HE PHE 123 -7.272 5.448 -1.719 952 HE2 PHE 123 2HE PHE 123 -8.228 6.488 2.283 953 HZ PHE 123 HZ PHE 123 -7.464 4.833 0.645 954 H ALA 124 H ALA 124 -8.178 11.565 -3.478 955 HA ALA 124 HA ALA 124 -8.341 14.358 -2.711 956 1HB ALA 124 1HB ALA 124 -8.828 14.505 -5.269 957 2HB ALA 124 2HB ALA 124 -7.191 14.048 -4.738 958 3HB ALA 124 3HB ALA 124 -8.326 12.797 -5.302 959 H ASN 125 H ASN 125 -10.378 11.550 -3.201 960 HA ASN 125 HA ASN 125 -12.675 13.328 -2.972 961 1HB ASN 125 1HB ASN 125 -12.081 11.379 -5.048 962 2HB ASN 125 2HB ASN 125 -13.485 10.825 -4.157 963 1HD2 ASN 125 1HD2 ASN 125 -12.241 13.012 -6.441 964 2HD2 ASN 125 2HD2 ASN 125 -13.663 13.955 -6.743 965 H GLU 126 H GLU 126 -14.494 12.348 -1.712 966 HA GLU 126 HA GLU 126 -13.502 10.711 0.373 967 1HB GLU 126 1HB GLU 126 -15.158 12.567 0.702 968 2HB GLU 126 2HB GLU 126 -16.351 11.645 -0.192 969 1HG GLU 126 1HG GLU 126 -16.439 9.919 1.481 970 2HG GLU 126 2HG GLU 126 -14.957 10.464 2.241 971 H GLU 127 H GLU 127 -15.848 10.319 -2.350 972 HA GLU 127 HA GLU 127 -16.707 7.797 -1.668 973 1HB GLU 127 1HB GLU 127 -16.861 9.589 -3.965 974 2HB GLU 127 2HB GLU 127 -16.678 7.930 -4.503 975 1HG GLU 127 1HG GLU 127 -19.049 8.323 -4.257 976 2HG GLU 127 2HG GLU 127 -18.572 7.279 -2.932 977 H GLU 128 H GLU 128 -13.990 8.839 -3.834 978 HA GLU 128 HA GLU 128 -13.227 6.340 -4.637 979 1HB GLU 128 1HB GLU 128 -12.004 9.037 -4.498 980 2HB GLU 128 2HB GLU 128 -10.830 7.735 -4.487 981 1HG GLU 128 1HG GLU 128 -13.103 7.859 -6.517 982 2HG GLU 128 2HG GLU 128 -11.552 8.623 -6.802 983 H ALA 129 H ALA 129 -12.750 8.006 -1.546 984 HA ALA 129 HA ALA 129 -10.685 6.219 -0.667 985 1HB ALA 129 1HB ALA 129 -10.687 8.484 0.157 986 2HB ALA 129 2HB ALA 129 -12.380 8.348 0.690 987 3HB ALA 129 3HB ALA 129 -11.107 7.422 1.522 988 H LYS 130 H LYS 130 -14.245 6.563 -0.367 989 HA LYS 130 HA LYS 130 -14.530 4.584 1.618 990 1HB LYS 130 1HB LYS 130 -16.193 6.386 0.135 991 2HB LYS 130 2HB LYS 130 -16.885 4.781 0.018 992 1HG LYS 130 1HG LYS 130 -16.854 4.530 2.469 993 2HG LYS 130 2HG LYS 130 -16.004 6.052 2.651 994 1HD LYS 130 1HD LYS 130 -17.943 7.271 1.665 995 2HD LYS 130 2HD LYS 130 -18.791 5.755 1.433 996 1HE LYS 130 1HE LYS 130 -17.805 6.595 4.187 997 2HE LYS 130 2HE LYS 130 -19.343 7.160 3.567 998 1HZ LYS 130 1HZ LYS 130 -20.204 5.230 4.122 999 2HZ LYS 130 2HZ LYS 130 -19.186 4.425 3.130 1000 3HZ LYS 130 3HZ LYS 130 -18.766 4.696 4.685 1001 H LYS 131 H LYS 131 -14.657 4.547 -1.991 1002 HA LYS 131 HA LYS 131 -15.316 1.801 -2.123 1003 1HB LYS 131 1HB LYS 131 -14.758 2.061 -4.522 1004 2HB LYS 131 2HB LYS 131 -15.877 3.275 -3.938 1005 1HG LYS 131 1HG LYS 131 -14.457 4.810 -4.838 1006 2HG LYS 131 2HG LYS 131 -13.415 4.489 -3.466 1007 1HD LYS 131 1HD LYS 131 -11.846 3.849 -4.986 1008 2HD LYS 131 2HD LYS 131 -12.784 2.381 -5.176 1009 1HE LYS 131 1HE LYS 131 -13.702 4.767 -6.755 1010 2HE LYS 131 2HE LYS 131 -12.190 4.036 -7.254 1011 1HZ LYS 131 1HZ LYS 131 -13.432 2.547 -8.272 1012 2HZ LYS 131 2HZ LYS 131 -13.873 1.946 -6.819 1013 3HZ LYS 131 3HZ LYS 131 -14.812 3.056 -7.562 1014 H PHE 132 H PHE 132 -12.341 3.632 -1.646 1015 HA PHE 132 HA PHE 132 -10.531 1.721 -2.563 1016 1HB PHE 132 1HB PHE 132 -10.567 4.279 -1.384 1017 2HB PHE 132 2HB PHE 132 -9.853 3.308 -0.112 1018 HD1 PHE 132 1HD PHE 132 -7.635 2.428 -0.322 1019 HD2 PHE 132 2HD PHE 132 -9.432 4.476 -3.576 1020 HE1 PHE 132 1HE PHE 132 -5.405 2.567 -1.466 1021 HE2 PHE 132 2HE PHE 132 -7.203 4.614 -4.720 1022 HZ PHE 132 HZ PHE 132 -5.215 3.658 -3.652 1023 H ARG 133 H ARG 133 -11.662 2.418 0.828 1024 HA ARG 133 HA ARG 133 -10.310 0.253 1.899 1025 1HB ARG 133 1HB ARG 133 -11.543 2.385 2.980 1026 2HB ARG 133 2HB ARG 133 -12.876 1.260 3.148 1027 1HG ARG 133 1HG ARG 133 -10.971 -0.341 4.152 1028 2HG ARG 133 2HG ARG 133 -10.150 1.178 4.446 1029 1HD ARG 133 1HD ARG 133 -11.451 1.560 6.265 1030 2HD ARG 133 2HD ARG 133 -12.894 1.506 5.273 1031 HE ARG 133 HE ARG 133 -13.256 -0.733 5.922 1032 1HH1 ARG 133 2HH2 ARG 133 -10.050 0.312 6.929 1033 2HH1 ARG 133 1HH2 ARG 133 -9.769 -1.080 7.921 1034 1HH2 ARG 133 2HH1 ARG 133 -12.885 -2.568 7.231 1035 2HH2 ARG 133 1HH1 ARG 133 -11.392 -2.729 8.094 1036 H LYS 134 H LYS 134 -13.466 0.611 0.309 1037 HA LYS 134 HA LYS 134 -14.585 -1.798 1.288 1038 1HB LYS 134 1HB LYS 134 -15.513 0.419 -0.056 1039 2HB LYS 134 2HB LYS 134 -15.549 -0.804 -1.310 1040 1HG LYS 134 1HG LYS 134 -16.763 -2.337 0.337 1041 2HG LYS 134 2HG LYS 134 -16.862 -0.980 1.440 1042 1HD LYS 134 1HD LYS 134 -18.181 0.319 -0.161 1043 2HD LYS 134 2HD LYS 134 -17.929 -0.876 -1.417 1044 1HE LYS 134 1HE LYS 134 -19.016 -2.478 0.519 1045 2HE LYS 134 2HE LYS 134 -19.780 -0.957 0.937 1046 1HZ LYS 134 1HZ LYS 134 -19.984 -2.463 -1.545 1047 2HZ LYS 134 2HZ LYS 134 -21.173 -1.817 -0.630 1048 3HZ LYS 134 3HZ LYS 134 -20.247 -0.851 -1.565 1049 H ALA 135 H ALA 135 -12.732 -0.860 -1.663 1050 HA ALA 135 HA ALA 135 -12.951 -3.353 -2.922 1051 1HB ALA 135 1HB ALA 135 -10.616 -1.439 -3.189 1052 2HB ALA 135 2HB ALA 135 -11.346 -2.484 -4.431 1053 3HB ALA 135 3HB ALA 135 -12.225 -1.050 -3.844 1054 H VAL 136 H VAL 136 -10.468 -1.933 -0.701 1055 HA VAL 136 HA VAL 136 -8.675 -4.028 -0.783 1056 HB VAL 136 HB VAL 136 -9.421 -2.117 1.437 1057 1HG1 VAL 136 1HG1 VAL 136 -8.225 -3.577 2.707 1058 2HG1 VAL 136 2HG1 VAL 136 -7.384 -4.283 1.305 1059 3HG1 VAL 136 3HG1 VAL 136 -6.850 -2.720 1.970 1060 1HG2 VAL 136 1HG2 VAL 136 -8.016 -1.804 -1.053 1061 2HG2 VAL 136 2HG2 VAL 136 -8.381 -0.587 0.193 1062 3HG2 VAL 136 3HG2 VAL 136 -6.886 -1.545 0.297 1063 H THR 137 H THR 137 -11.272 -3.449 1.703 1064 HA THR 137 HA THR 137 -10.987 -5.863 3.011 1065 HB THR 137 HB THR 137 -13.474 -5.352 3.603 1066 HG1 THR 137 1HG THR 137 -13.947 -3.097 2.746 1067 1HG2 THR 137 1HG2 THR 137 -12.695 -3.895 5.191 1068 2HG2 THR 137 2HG2 THR 137 -11.102 -4.055 4.415 1069 3HG2 THR 137 3HG2 THR 137 -12.187 -2.724 3.951 1070 H ASP 138 H ASP 138 -13.065 -5.070 0.163 1071 HA ASP 138 HA ASP 138 -14.355 -7.450 0.001 1072 1HB ASP 138 1HB ASP 138 -13.702 -5.214 -1.783 1073 2HB ASP 138 2HB ASP 138 -13.743 -6.722 -2.676 1074 H LEU 139 H LEU 139 -11.109 -6.448 -1.248 1075 HA LEU 139 HA LEU 139 -10.602 -8.872 -2.610 1076 1HB LEU 139 1HB LEU 139 -9.531 -6.813 -3.239 1077 2HB LEU 139 2HB LEU 139 -8.808 -6.643 -1.652 1078 HG LEU 139 HG LEU 139 -8.185 -8.964 -3.489 1079 1HD1 LEU 139 1HD1 LEU 139 -7.060 -6.188 -3.439 1080 2HD1 LEU 139 2HD1 LEU 139 -5.986 -7.563 -3.793 1081 3HD1 LEU 139 3HD1 LEU 139 -7.410 -7.258 -4.818 1082 1HD2 LEU 139 1HD2 LEU 139 -5.999 -8.439 -1.867 1083 2HD2 LEU 139 2HD2 LEU 139 -7.395 -8.193 -0.791 1084 3HD2 LEU 139 3HD2 LEU 139 -7.195 -9.739 -1.651 1085 H LEU 140 H LEU 140 -9.662 -7.559 0.630 1086 HA LEU 140 HA LEU 140 -8.129 -9.758 1.385 1087 1HB LEU 140 1HB LEU 140 -9.425 -7.448 2.705 1088 2HB LEU 140 2HB LEU 140 -9.056 -8.814 3.740 1089 HG LEU 140 HG LEU 140 -6.712 -8.442 2.269 1090 1HD1 LEU 140 1HD1 LEU 140 -6.161 -6.181 2.206 1091 2HD1 LEU 140 2HD1 LEU 140 -7.834 -6.219 1.601 1092 3HD1 LEU 140 3HD1 LEU 140 -7.505 -5.717 3.277 1093 1HD2 LEU 140 1HD2 LEU 140 -7.230 -7.278 5.009 1094 2HD2 LEU 140 2HD2 LEU 140 -7.091 -9.027 4.710 1095 3HD2 LEU 140 3HD2 LEU 140 -5.718 -7.952 4.353 1096 H GLY 141 H GLY 141 -11.648 -9.152 1.404 1097 1HA GLY 141 1HA GLY 141 -12.375 -11.296 3.087 1098 2HA GLY 141 2HA GLY 141 -13.393 -10.472 1.924 1099 H ARG 142 H ARG 142 -12.122 -10.972 -0.524 1100 HA ARG 142 HA ARG 142 -12.971 -13.592 -0.967 1101 1HB ARG 142 1HB ARG 142 -11.488 -11.539 -2.661 1102 2HB ARG 142 2HB ARG 142 -11.836 -13.136 -3.290 1103 1HG ARG 142 1HG ARG 142 -14.311 -12.634 -2.490 1104 2HG ARG 142 2HG ARG 142 -13.788 -10.961 -2.480 1105 1HD ARG 142 1HD ARG 142 -14.319 -10.951 -4.701 1106 2HD ARG 142 2HD ARG 142 -12.822 -11.830 -4.937 1107 HE ARG 142 HE ARG 142 -14.664 -13.812 -4.272 1108 1HH1 ARG 142 2HH2 ARG 142 -14.483 -11.316 -6.746 1109 2HH1 ARG 142 1HH2 ARG 142 -15.402 -12.218 -7.904 1110 1HH2 ARG 142 2HH1 ARG 142 -15.876 -15.003 -5.801 1111 2HH2 ARG 142 1HH1 ARG 142 -16.200 -14.329 -7.363 1112 H ARG 143 H ARG 143 -9.749 -11.999 -0.667 1113 HA ARG 143 HA ARG 143 -7.714 -12.802 -0.763 1114 1HB ARG 143 1HB ARG 143 -7.262 -14.562 0.984 1115 2HB ARG 143 2HB ARG 143 -8.307 -13.282 1.571 1116 1HG ARG 143 1HG ARG 143 -10.287 -14.655 1.336 1117 2HG ARG 143 2HG ARG 143 -9.429 -15.859 0.396 1118 1HD ARG 143 1HD ARG 143 -9.464 -16.872 2.516 1119 2HD ARG 143 2HD ARG 143 -7.896 -16.090 2.539 1120 HE ARG 143 HE ARG 143 -10.086 -14.408 3.554 1121 1HH1 ARG 143 2HH2 ARG 143 -7.604 -16.764 4.375 1122 2HH1 ARG 143 1HH2 ARG 143 -7.548 -16.313 6.047 1123 1HH2 ARG 143 2HH1 ARG 143 -10.012 -13.813 5.758 1124 2HH2 ARG 143 1HH1 ARG 143 -8.928 -14.623 6.839 1125 H GLN 144 H GLN 144 -9.067 -13.670 -3.069 1126 HA GLN 144 HA GLN 144 -8.600 -16.501 -3.283 1127 1HB GLN 144 1HB GLN 144 -9.987 -14.405 -4.931 1128 2HB GLN 144 2HB GLN 144 -9.382 -15.818 -5.774 1129 1HG GLN 144 1HG GLN 144 -11.025 -16.131 -3.239 1130 2HG GLN 144 2HG GLN 144 -11.817 -15.872 -4.780 1131 1HE2 GLN 144 1HE2 GLN 144 -12.682 -18.020 -4.127 1132 2HE2 GLN 144 2HE2 GLN 144 -11.843 -19.442 -4.649 Start of MODEL 3 1 1H ASP 1 H ASP 1 -9.368 17.766 11.057 2 HA ASP 1 HA ASP 1 -9.423 18.779 8.747 3 1HB ASP 1 1HB ASP 1 -6.931 19.841 9.991 4 2HB ASP 1 2HB ASP 1 -6.708 19.190 8.379 5 H LEU 2 H LEU 2 -6.216 17.650 10.059 6 HA LEU 2 HA LEU 2 -6.582 15.179 8.526 7 1HB LEU 2 1HB LEU 2 -4.241 16.870 9.246 8 2HB LEU 2 2HB LEU 2 -3.987 15.138 9.144 9 HG LEU 2 HG LEU 2 -5.299 15.536 6.808 10 1HD1 LEU 2 1HD1 LEU 2 -5.580 17.869 6.888 11 2HD1 LEU 2 2HD1 LEU 2 -3.918 18.139 7.463 12 3HD1 LEU 2 3HD1 LEU 2 -4.204 17.604 5.791 13 1HD2 LEU 2 1HD2 LEU 2 -3.058 14.437 7.320 14 2HD2 LEU 2 2HD2 LEU 2 -3.232 15.215 5.729 15 3HD2 LEU 2 3HD2 LEU 2 -2.328 16.033 7.026 16 HA PRO 3 HA PRO 3 -6.691 12.885 12.179 17 1HB PRO 3 1HB PRO 3 -5.539 10.516 11.452 18 2HB PRO 3 2HB PRO 3 -7.192 10.940 11.054 19 1HG PRO 3 1HG PRO 3 -4.816 10.898 9.297 20 2HG PRO 3 2HG PRO 3 -6.510 10.898 8.851 21 1HD PRO 3 1HD PRO 3 -4.707 13.125 8.742 22 2HD PRO 3 2HD PRO 3 -6.426 13.153 8.407 23 HA PRO 4 HA PRO 4 -3.128 13.125 14.466 24 1HB PRO 4 1HB PRO 4 -3.507 11.301 16.467 25 2HB PRO 4 2HB PRO 4 -4.236 12.894 16.472 26 1HG PRO 4 1HG PRO 4 -5.497 10.281 15.908 27 2HG PRO 4 2HG PRO 4 -6.261 11.800 16.333 28 1HD PRO 4 1HD PRO 4 -6.124 10.619 13.722 29 2HD PRO 4 2HD PRO 4 -6.786 12.190 14.129 30 HA PRO 5 HA PRO 5 -0.381 10.246 12.951 31 1HB PRO 5 1HB PRO 5 1.949 11.274 13.942 32 2HB PRO 5 2HB PRO 5 1.196 11.855 12.471 33 1HG PRO 5 1HG PRO 5 1.267 13.121 15.141 34 2HG PRO 5 2HG PRO 5 0.906 13.851 13.590 35 1HD PRO 5 1HD PRO 5 -0.980 13.126 15.627 36 2HD PRO 5 2HD PRO 5 -1.348 13.748 14.030 37 H GLU 6 H GLU 6 0.149 8.209 13.471 38 HA GLU 6 HA GLU 6 0.127 7.735 16.322 39 1HB GLU 6 1HB GLU 6 -0.578 6.199 13.902 40 2HB GLU 6 2HB GLU 6 0.343 5.255 15.056 41 1HG GLU 6 1HG GLU 6 -2.052 5.037 15.552 42 2HG GLU 6 2HG GLU 6 -1.262 5.891 16.864 43 HA PRO 7 HA PRO 7 4.441 7.174 16.348 44 1HB PRO 7 1HB PRO 7 4.737 6.049 18.822 45 2HB PRO 7 2HB PRO 7 4.572 7.775 18.567 46 1HG PRO 7 1HG PRO 7 2.575 5.855 19.597 47 2HG PRO 7 2HG PRO 7 2.589 7.602 19.731 48 1HD PRO 7 1HD PRO 7 0.984 6.031 17.947 49 2HD PRO 7 2HD PRO 7 1.084 7.779 18.003 50 H TYR 8 H TYR 8 5.573 5.844 15.099 51 HA TYR 8 HA TYR 8 5.057 2.991 15.604 52 1HB TYR 8 1HB TYR 8 4.186 4.219 13.416 53 2HB TYR 8 2HB TYR 8 5.877 4.348 12.973 54 HD1 TYR 8 1HD TYR 8 6.749 2.705 11.588 55 HD2 TYR 8 2HD TYR 8 3.456 1.718 14.135 56 HE1 TYR 8 1HE TYR 8 6.655 0.376 10.575 57 HE2 TYR 8 2HE TYR 8 3.372 -0.608 13.112 58 HH TYR 8 HH TYR 8 4.398 -2.046 11.829 59 H VAL 9 H VAL 9 6.837 1.740 15.995 60 HA VAL 9 HA VAL 9 9.434 3.040 15.541 61 HB VAL 9 HB VAL 9 8.443 1.186 17.705 62 1HG1 VAL 9 1HG1 VAL 9 10.474 0.245 17.763 63 2HG1 VAL 9 2HG1 VAL 9 11.131 1.409 16.589 64 3HG1 VAL 9 3HG1 VAL 9 11.086 1.820 18.320 65 1HG2 VAL 9 1HG2 VAL 9 9.663 3.966 17.730 66 2HG2 VAL 9 2HG2 VAL 9 7.984 3.522 18.120 67 3HG2 VAL 9 3HG2 VAL 9 9.312 3.001 19.184 68 H GLN 10 H GLN 10 11.090 1.834 14.554 69 HA GLN 10 HA GLN 10 10.487 0.200 12.569 70 1HB GLN 10 1HB GLN 10 12.858 -0.774 12.882 71 2HB GLN 10 2HB GLN 10 12.724 0.965 12.719 72 1HG GLN 10 1HG GLN 10 12.524 -0.076 15.516 73 2HG GLN 10 2HG GLN 10 14.086 -0.282 14.751 74 1HE2 GLN 10 1HE2 GLN 10 14.092 1.268 16.848 75 2HE2 GLN 10 2HE2 GLN 10 14.211 2.953 16.466 76 H THR 11 H THR 11 9.684 -1.843 12.268 77 HA THR 11 HA THR 11 9.991 -3.751 14.478 78 HB THR 11 HB THR 11 7.729 -2.579 14.546 79 HG1 THR 11 1HG THR 11 7.587 -4.662 15.351 80 1HG2 THR 11 1HG2 THR 11 7.539 -3.934 11.813 81 2HG2 THR 11 2HG2 THR 11 6.098 -3.549 12.785 82 3HG2 THR 11 3HG2 THR 11 7.162 -2.242 12.215 83 H THR 12 H THR 12 9.493 -6.036 13.759 84 HA THR 12 HA THR 12 10.976 -6.502 11.351 85 HB THR 12 HB THR 12 10.960 -7.813 13.626 86 HG1 THR 12 1HG THR 12 10.536 -9.070 11.005 87 1HG2 THR 12 1HG2 THR 12 9.416 -9.761 13.605 88 2HG2 THR 12 2HG2 THR 12 8.481 -8.248 13.692 89 3HG2 THR 12 3HG2 THR 12 8.616 -9.122 12.148 90 H LYS 13 H LYS 13 10.301 -7.094 9.349 91 HA LYS 13 HA LYS 13 7.432 -7.579 9.039 92 1HB LYS 13 1HB LYS 13 9.079 -5.425 7.771 93 2HB LYS 13 2HB LYS 13 7.834 -6.194 6.806 94 1HG LYS 13 1HG LYS 13 6.645 -5.702 9.354 95 2HG LYS 13 2HG LYS 13 7.541 -4.249 8.961 96 1HD LYS 13 1HD LYS 13 5.898 -5.463 6.755 97 2HD LYS 13 2HD LYS 13 5.018 -4.705 8.067 98 1HE LYS 13 1HE LYS 13 5.352 -2.922 6.542 99 2HE LYS 13 2HE LYS 13 6.614 -2.668 7.730 100 1HZ LYS 13 1HZ LYS 13 7.265 -4.369 5.487 101 2HZ LYS 13 2HZ LYS 13 7.104 -2.774 5.175 102 3HZ LYS 13 3HZ LYS 13 8.196 -3.284 6.275 103 H SER 14 H SER 14 6.884 -8.992 7.305 104 HA SER 14 HA SER 14 9.180 -10.159 5.962 105 1HB SER 14 1HB SER 14 7.661 -11.430 8.026 106 2HB SER 14 2HB SER 14 7.209 -12.211 6.524 107 HG SER 14 HG SER 14 9.959 -11.771 7.312 108 H TYR 15 H TYR 15 8.730 -10.907 3.819 109 HA TYR 15 HA TYR 15 6.150 -9.983 2.799 110 1HB TYR 15 1HB TYR 15 8.958 -10.608 1.747 111 2HB TYR 15 2HB TYR 15 7.626 -10.513 0.611 112 HD1 TYR 15 1HD TYR 15 7.967 -8.562 -0.624 113 HD2 TYR 15 2HD TYR 15 8.358 -8.420 3.634 114 HE1 TYR 15 1HE TYR 15 8.241 -6.036 -0.726 115 HE2 TYR 15 2HE TYR 15 8.632 -5.895 3.518 116 HH TYR 15 HH TYR 15 8.050 -4.153 0.579 117 HA PRO 16 HA PRO 16 4.888 -14.058 2.054 118 1HB PRO 16 1HB PRO 16 2.917 -13.632 0.209 119 2HB PRO 16 2HB PRO 16 2.678 -13.421 1.933 120 1HG PRO 16 1HG PRO 16 2.996 -11.357 -0.160 121 2HG PRO 16 2HG PRO 16 2.344 -11.188 1.458 122 1HD PRO 16 1HD PRO 16 4.943 -10.373 0.561 123 2HD PRO 16 2HD PRO 16 4.334 -10.310 2.203 124 H SER 17 H SER 17 5.491 -12.111 -0.807 125 HA SER 17 HA SER 17 5.751 -14.256 -2.522 126 1HB SER 17 1HB SER 17 6.935 -12.667 -4.002 127 2HB SER 17 2HB SER 17 5.518 -11.926 -3.286 128 HG SER 17 HG SER 17 7.113 -11.122 -1.572 129 H LYS 18 H LYS 18 7.757 -13.175 0.093 130 HA LYS 18 HA LYS 18 9.719 -15.182 -0.600 131 1HB LYS 18 1HB LYS 18 10.358 -12.825 -1.573 132 2HB LYS 18 2HB LYS 18 10.782 -12.457 0.087 133 1HG LYS 18 1HG LYS 18 12.170 -14.630 0.088 134 2HG LYS 18 2HG LYS 18 11.902 -14.706 -1.642 135 1HD LYS 18 1HD LYS 18 13.956 -13.562 -1.514 136 2HD LYS 18 2HD LYS 18 12.813 -12.243 -1.681 137 1HE LYS 18 1HE LYS 18 13.169 -11.481 0.466 138 2HE LYS 18 2HE LYS 18 13.293 -13.096 1.134 139 1HZ LYS 18 1HZ LYS 18 15.491 -13.125 -0.166 140 2HZ LYS 18 2HZ LYS 18 15.362 -11.497 -0.142 141 3HZ LYS 18 3HZ LYS 18 15.421 -12.333 1.260 142 H LEU 19 H LEU 19 7.947 -15.707 1.252 143 HA LEU 19 HA LEU 19 8.960 -14.692 3.794 144 1HB LEU 19 1HB LEU 19 6.411 -15.088 2.847 145 2HB LEU 19 2HB LEU 19 6.674 -16.529 3.809 146 HG LEU 19 HG LEU 19 7.316 -13.842 4.987 147 1HD1 LEU 19 1HD1 LEU 19 4.611 -14.862 4.294 148 2HD1 LEU 19 2HD1 LEU 19 4.822 -14.146 5.910 149 3HD1 LEU 19 3HD1 LEU 19 5.210 -13.194 4.456 150 1HD2 LEU 19 1HD2 LEU 19 7.878 -15.247 6.634 151 2HD2 LEU 19 2HD2 LEU 19 6.126 -15.396 6.911 152 3HD2 LEU 19 3HD2 LEU 19 6.977 -16.605 5.919 153 H ALA 20 H ALA 20 9.099 -17.416 1.624 154 HA ALA 20 HA ALA 20 10.212 -19.327 1.735 155 1HB ALA 20 1HB ALA 20 12.209 -19.123 2.749 156 2HB ALA 20 2HB ALA 20 11.625 -17.596 3.453 157 3HB ALA 20 3HB ALA 20 11.453 -19.118 4.360 158 H ARG 21 H ARG 21 7.559 -18.594 3.298 159 HA ARG 21 HA ARG 21 7.406 -20.296 5.452 160 1HB ARG 21 1HB ARG 21 4.947 -20.093 5.175 161 2HB ARG 21 2HB ARG 21 5.720 -18.538 4.932 162 1HG ARG 21 1HG ARG 21 5.767 -19.473 2.361 163 2HG ARG 21 2HG ARG 21 4.342 -20.308 2.946 164 1HD ARG 21 1HD ARG 21 3.492 -18.046 3.816 165 2HD ARG 21 2HD ARG 21 4.833 -17.294 2.975 166 HE ARG 21 HE ARG 21 3.720 -17.631 0.944 167 1HH1 ARG 21 2HH2 ARG 21 2.297 -19.716 3.396 168 2HH1 ARG 21 1HH2 ARG 21 0.997 -20.241 2.377 169 1HH2 ARG 21 2HH1 ARG 21 2.006 -18.323 -0.400 170 2HH2 ARG 21 1HH1 ARG 21 0.831 -19.443 0.204 171 H ASN 22 H ASN 22 7.532 -22.518 5.528 172 HA ASN 22 HA ASN 22 6.015 -24.164 3.961 173 1HB ASN 22 1HB ASN 22 7.900 -23.266 2.278 174 2HB ASN 22 2HB ASN 22 8.906 -24.454 3.083 175 1HD2 ASN 22 1HD2 ASN 22 9.104 -25.715 1.268 176 2HD2 ASN 22 2HD2 ASN 22 7.828 -26.703 0.638 177 H GLU 23 H GLU 23 5.981 -24.704 6.373 178 HA GLU 23 HA GLU 23 7.580 -26.936 6.870 179 1HB GLU 23 1HB GLU 23 9.291 -25.168 7.341 180 2HB GLU 23 2HB GLU 23 8.238 -24.485 8.563 181 1HG GLU 23 1HG GLU 23 8.989 -25.979 10.093 182 2HG GLU 23 2HG GLU 23 8.463 -27.314 9.086 183 H SER 24 H SER 24 6.038 -24.212 8.739 184 HA SER 24 HA SER 24 4.997 -25.653 10.745 185 1HB SER 24 1HB SER 24 3.714 -23.313 9.270 186 2HB SER 24 2HB SER 24 3.183 -23.889 10.838 187 HG SER 24 HG SER 24 5.793 -23.570 11.142 188 H ARG 25 H ARG 25 3.194 -24.781 7.697 189 HA ARG 25 HA ARG 25 1.780 -27.299 8.034 190 1HB ARG 25 1HB ARG 25 0.687 -24.519 7.651 191 2HB ARG 25 2HB ARG 25 -0.130 -25.806 6.784 192 1HG ARG 25 1HG ARG 25 -0.436 -27.066 8.913 193 2HG ARG 25 2HG ARG 25 0.419 -25.813 9.791 194 1HD ARG 25 1HD ARG 25 -1.711 -24.608 8.201 195 2HD ARG 25 2HD ARG 25 -2.369 -25.907 9.177 196 HE ARG 25 HE ARG 25 -0.678 -24.458 10.898 197 1HH1 ARG 25 2HH2 ARG 25 -3.560 -23.805 8.988 198 2HH1 ARG 25 1HH2 ARG 25 -4.140 -22.566 10.051 199 1HH2 ARG 25 2HH1 ARG 25 -1.443 -22.824 12.301 200 2HH2 ARG 25 1HH1 ARG 25 -2.928 -22.005 11.948 201 H GLY 26 H GLY 26 2.325 -24.514 5.743 202 1HA GLY 26 1HA GLY 26 2.818 -24.457 3.553 203 2HA GLY 26 2HA GLY 26 3.604 -26.008 3.768 204 H SER 27 H SER 27 2.835 -27.604 2.464 205 HA SER 27 HA SER 27 0.224 -28.376 2.396 206 1HB SER 27 1HB SER 27 0.748 -26.116 0.618 207 2HB SER 27 2HB SER 27 0.248 -27.517 -0.308 208 HG SER 27 HG SER 27 -1.726 -26.887 0.259 209 H GLY 28 H GLY 28 0.483 -30.521 1.899 210 1HA GLY 28 1HA GLY 28 2.868 -31.392 0.528 211 2HA GLY 28 2HA GLY 28 1.612 -32.386 1.241 212 H SER 29 H SER 29 1.839 -29.903 -1.417 213 HA SER 29 HA SER 29 0.291 -31.777 -3.030 214 1HB SER 29 1HB SER 29 -0.519 -29.786 -4.291 215 2HB SER 29 2HB SER 29 -0.967 -29.724 -2.598 216 HG SER 29 HG SER 29 0.639 -28.180 -2.194 217 H GLY 30 H GLY 30 0.708 -31.296 -5.535 218 1HA GLY 30 1HA GLY 30 3.154 -32.104 -6.289 219 2HA GLY 30 2HA GLY 30 2.145 -31.060 -7.270 220 H SER 31 H SER 31 2.186 -28.595 -6.410 221 HA SER 31 HA SER 31 3.342 -26.764 -6.272 222 1HB SER 31 1HB SER 31 5.313 -28.353 -4.570 223 2HB SER 31 2HB SER 31 5.176 -26.607 -4.616 224 HG SER 31 HG SER 31 4.030 -27.837 -2.819 225 H LEU 32 H LEU 32 4.287 -26.030 -8.140 226 HA LEU 32 HA LEU 32 6.982 -26.665 -8.713 227 1HB LEU 32 1HB LEU 32 4.907 -28.299 -9.953 228 2HB LEU 32 2HB LEU 32 5.914 -27.482 -11.133 229 HG LEU 32 HG LEU 32 7.488 -28.724 -9.001 230 1HD1 LEU 32 1HD1 LEU 32 7.002 -31.048 -10.236 231 2HD1 LEU 32 2HD1 LEU 32 6.141 -30.532 -8.765 232 3HD1 LEU 32 3HD1 LEU 32 5.382 -30.321 -10.361 233 1HD2 LEU 32 1HD2 LEU 32 7.495 -28.530 -11.983 234 2HD2 LEU 32 2HD2 LEU 32 8.766 -28.133 -10.802 235 3HD2 LEU 32 3HD2 LEU 32 8.430 -29.833 -11.210 236 H PHE 33 H PHE 33 7.656 -25.531 -10.831 237 HA PHE 33 HA PHE 33 7.814 -23.612 -11.909 238 1HB PHE 33 1HB PHE 33 4.850 -24.320 -11.968 239 2HB PHE 33 2HB PHE 33 5.343 -22.790 -12.667 240 HD1 PHE 33 1HD PHE 33 6.646 -26.299 -12.758 241 HD2 PHE 33 2HD PHE 33 5.514 -22.848 -14.953 242 HE1 PHE 33 1HE PHE 33 7.238 -27.466 -14.899 243 HE2 PHE 33 2HE PHE 33 6.107 -24.016 -17.094 244 HZ PHE 33 HZ PHE 33 6.962 -26.311 -17.041 245 H SER 34 H SER 34 8.628 -22.264 -10.245 246 HA SER 34 HA SER 34 6.566 -20.610 -9.010 247 1HB SER 34 1HB SER 34 9.192 -21.661 -7.918 248 2HB SER 34 2HB SER 34 8.471 -20.214 -7.243 249 HG SER 34 HG SER 34 6.695 -22.385 -7.550 250 H PHE 35 H PHE 35 6.927 -18.322 -8.989 251 HA PHE 35 HA PHE 35 7.559 -16.438 -9.971 252 1HB PHE 35 1HB PHE 35 9.306 -16.714 -8.220 253 2HB PHE 35 2HB PHE 35 10.225 -17.792 -9.253 254 HD1 PHE 35 1HD PHE 35 8.838 -14.319 -9.387 255 HD2 PHE 35 2HD PHE 35 12.086 -16.905 -10.268 256 HE1 PHE 35 1HE PHE 35 10.159 -12.368 -10.250 257 HE2 PHE 35 2HE PHE 35 13.407 -14.952 -11.131 258 HZ PHE 35 HZ PHE 35 12.427 -12.706 -11.111 259 H LEU 36 H LEU 36 6.863 -16.669 -12.135 260 HA LEU 36 HA LEU 36 8.949 -16.672 -14.047 261 1HB LEU 36 1HB LEU 36 8.605 -18.647 -15.202 262 2HB LEU 36 2HB LEU 36 8.662 -19.130 -13.519 263 HG LEU 36 HG LEU 36 5.971 -18.774 -13.860 264 1HD1 LEU 36 1HD1 LEU 36 5.241 -19.038 -15.952 265 2HD1 LEU 36 2HD1 LEU 36 6.900 -18.633 -16.455 266 3HD1 LEU 36 3HD1 LEU 36 6.410 -20.336 -16.293 267 1HD2 LEU 36 1HD2 LEU 36 7.419 -21.361 -14.467 268 2HD2 LEU 36 2HD2 LEU 36 7.230 -20.686 -12.831 269 3HD2 LEU 36 3HD2 LEU 36 5.794 -21.150 -13.773 270 H GLY 37 H GLY 37 8.308 -15.043 -15.341 271 1HA GLY 37 1HA GLY 37 6.992 -13.713 -16.586 272 2HA GLY 37 2HA GLY 37 5.891 -15.065 -16.760 273 H LYS 38 H LYS 38 6.645 -12.113 -14.956 274 HA LYS 38 HA LYS 38 4.815 -12.362 -12.886 275 1HB LYS 38 1HB LYS 38 6.691 -10.533 -13.640 276 2HB LYS 38 2HB LYS 38 5.221 -9.658 -14.025 277 1HG LYS 38 1HG LYS 38 4.882 -9.218 -11.830 278 2HG LYS 38 2HG LYS 38 4.804 -10.933 -11.480 279 1HD LYS 38 1HD LYS 38 7.180 -11.069 -11.084 280 2HD LYS 38 2HD LYS 38 7.470 -9.499 -11.806 281 1HE LYS 38 1HE LYS 38 7.469 -8.792 -9.616 282 2HE LYS 38 2HE LYS 38 5.733 -8.746 -9.847 283 1HZ LYS 38 1HZ LYS 38 6.413 -9.991 -7.886 284 2HZ LYS 38 2HZ LYS 38 5.569 -10.924 -8.928 285 3HZ LYS 38 3HZ LYS 38 7.191 -11.080 -8.821 286 H LYS 39 H LYS 39 2.718 -11.148 -12.634 287 HA LYS 39 HA LYS 39 1.304 -10.515 -15.038 288 1HB LYS 39 1HB LYS 39 1.284 -13.211 -14.278 289 2HB LYS 39 2HB LYS 39 -0.236 -12.580 -13.679 290 1HG LYS 39 1HG LYS 39 -1.054 -12.127 -15.798 291 2HG LYS 39 2HG LYS 39 0.521 -11.694 -16.434 292 1HD LYS 39 1HD LYS 39 0.515 -13.728 -17.455 293 2HD LYS 39 2HD LYS 39 0.846 -14.404 -15.873 294 1HE LYS 39 1HE LYS 39 -1.328 -15.154 -15.573 295 2HE LYS 39 2HE LYS 39 -2.032 -13.803 -16.440 296 1HZ LYS 39 1HZ LYS 39 -2.225 -15.843 -17.672 297 2HZ LYS 39 2HZ LYS 39 -1.277 -14.795 -18.491 298 3HZ LYS 39 3HZ LYS 39 -0.606 -16.048 -17.689 299 H CYS 40 H CYS 40 1.666 -8.576 -13.504 300 HA CYS 40 HA CYS 40 -0.068 -8.608 -11.206 301 1HB CYS 40 1HB CYS 40 1.678 -6.412 -12.367 302 2HB CYS 40 2HB CYS 40 0.749 -6.271 -10.888 303 HG CYS 40 HG CYS 40 1.924 -7.964 -9.481 304 H VAL 41 H VAL 41 -2.037 -7.410 -11.050 305 HA VAL 41 HA VAL 41 -2.945 -6.209 -13.572 306 HB VAL 41 HB VAL 41 -3.880 -8.488 -13.143 307 1HG1 VAL 41 1HG1 VAL 41 -4.692 -7.155 -10.603 308 2HG1 VAL 41 2HG1 VAL 41 -5.871 -8.255 -11.358 309 3HG1 VAL 41 3HG1 VAL 41 -4.250 -8.849 -10.922 310 1HG2 VAL 41 1HG2 VAL 41 -5.915 -6.235 -13.084 311 2HG2 VAL 41 2HG2 VAL 41 -5.037 -6.791 -14.530 312 3HG2 VAL 41 3HG2 VAL 41 -6.169 -7.885 -13.701 313 H THR 42 H THR 42 -4.513 -4.459 -13.309 314 HA THR 42 HA THR 42 -4.095 -3.093 -10.749 315 HB THR 42 HB THR 42 -4.879 -2.194 -13.566 316 HG1 THR 42 1HG THR 42 -2.594 -2.746 -12.757 317 1HG2 THR 42 1HG2 THR 42 -4.615 0.133 -12.603 318 2HG2 THR 42 2HG2 THR 42 -6.052 -0.709 -11.976 319 3HG2 THR 42 3HG2 THR 42 -4.585 -0.586 -10.974 320 H MET 43 H MET 43 -5.722 -2.515 -9.378 321 HA MET 43 HA MET 43 -8.251 -3.782 -9.979 322 1HB MET 43 1HB MET 43 -6.692 -2.998 -7.558 323 2HB MET 43 2HB MET 43 -8.409 -2.676 -7.404 324 1HG MET 43 1HG MET 43 -7.803 -5.338 -8.582 325 2HG MET 43 2HG MET 43 -7.194 -5.140 -6.952 326 1HE MET 43 1HE MET 43 -10.301 -4.325 -4.853 327 2HE MET 43 2HE MET 43 -8.529 -4.445 -4.954 328 3HE MET 43 3HE MET 43 -9.367 -3.046 -5.665 329 H SER 44 H SER 44 -7.307 -0.702 -8.281 330 HA SER 44 HA SER 44 -9.017 0.749 -10.068 331 1HB SER 44 1HB SER 44 -10.298 -0.211 -7.908 332 2HB SER 44 2HB SER 44 -9.574 1.188 -7.141 333 HG SER 44 HG SER 44 -10.526 2.220 -9.341 334 H SER 45 H SER 45 -8.502 3.023 -10.098 335 HA SER 45 HA SER 45 -6.118 3.625 -8.530 336 1HB SER 45 1HB SER 45 -5.664 5.336 -10.362 337 2HB SER 45 2HB SER 45 -5.556 3.660 -10.862 338 HG SER 45 HG SER 45 -7.431 3.820 -12.020 339 H ALA 46 H ALA 46 -6.131 5.456 -7.205 340 HA ALA 46 HA ALA 46 -8.349 7.327 -7.521 341 1HB ALA 46 1HB ALA 46 -7.679 6.431 -4.743 342 2HB ALA 46 2HB ALA 46 -9.230 6.979 -5.424 343 3HB ALA 46 3HB ALA 46 -8.648 5.329 -5.750 344 H VAL 47 H VAL 47 -7.848 9.450 -6.814 345 HA VAL 47 HA VAL 47 -5.027 9.965 -6.707 346 HB VAL 47 HB VAL 47 -7.424 11.801 -6.545 347 1HG1 VAL 47 1HG1 VAL 47 -4.731 12.351 -5.981 348 2HG1 VAL 47 2HG1 VAL 47 -4.995 12.962 -7.633 349 3HG1 VAL 47 3HG1 VAL 47 -6.029 13.527 -6.298 350 1HG2 VAL 47 1HG2 VAL 47 -7.309 12.084 -8.870 351 2HG2 VAL 47 2HG2 VAL 47 -5.685 11.362 -8.974 352 3HG2 VAL 47 3HG2 VAL 47 -7.098 10.331 -8.645 353 H VAL 48 H VAL 48 -3.799 10.244 -4.909 354 HA VAL 48 HA VAL 48 -5.092 11.105 -2.465 355 HB VAL 48 HB VAL 48 -4.773 9.243 -1.230 356 1HG1 VAL 48 1HG1 VAL 48 -5.400 7.231 -2.440 357 2HG1 VAL 48 2HG1 VAL 48 -6.274 8.628 -3.109 358 3HG1 VAL 48 3HG1 VAL 48 -4.874 7.955 -3.978 359 1HG2 VAL 48 1HG2 VAL 48 -2.464 8.534 -3.064 360 2HG2 VAL 48 2HG2 VAL 48 -2.389 9.092 -1.375 361 3HG2 VAL 48 3HG2 VAL 48 -3.042 7.479 -1.751 362 H GLN 49 H GLN 49 -3.368 11.551 -0.739 363 HA GLN 49 HA GLN 49 -0.920 12.342 -2.117 364 1HB GLN 49 1HB GLN 49 -2.284 13.769 0.209 365 2HB GLN 49 2HB GLN 49 -0.812 14.288 -0.587 366 1HG GLN 49 1HG GLN 49 -2.294 14.198 -2.790 367 2HG GLN 49 2HG GLN 49 -3.641 14.268 -1.670 368 1HE2 GLN 49 1HE2 GLN 49 -4.327 16.274 -2.226 369 2HE2 GLN 49 2HE2 GLN 49 -3.462 17.738 -1.893 370 H LEU 50 H LEU 50 0.964 11.504 -1.302 371 HA LEU 50 HA LEU 50 0.768 9.786 0.989 372 1HB LEU 50 1HB LEU 50 2.038 9.345 -1.167 373 2HB LEU 50 2HB LEU 50 3.229 10.499 -0.600 374 HG LEU 50 HG LEU 50 3.975 8.254 -0.133 375 1HD1 LEU 50 1HD1 LEU 50 4.849 8.749 1.877 376 2HD1 LEU 50 2HD1 LEU 50 3.998 10.297 1.657 377 3HD1 LEU 50 3HD1 LEU 50 3.256 9.004 2.631 378 1HD2 LEU 50 1HD2 LEU 50 1.536 7.845 1.610 379 2HD2 LEU 50 2HD2 LEU 50 1.667 7.253 -0.064 380 3HD2 LEU 50 3HD2 LEU 50 2.793 6.661 1.181 381 H TYR 51 H TYR 51 1.059 10.401 3.058 382 HA TYR 51 HA TYR 51 2.658 12.835 3.497 383 1HB TYR 51 1HB TYR 51 0.000 11.754 4.465 384 2HB TYR 51 2HB TYR 51 0.977 12.544 5.687 385 HD1 TYR 51 1HD TYR 51 0.909 13.552 2.116 386 HD2 TYR 51 2HD TYR 51 -0.453 14.422 6.077 387 HE1 TYR 51 1HE TYR 51 0.062 15.818 1.334 388 HE2 TYR 51 2HE TYR 51 -1.295 16.686 5.282 389 HH TYR 51 HH TYR 51 -2.083 17.501 2.685 390 H ALA 52 H ALA 52 3.948 12.900 5.442 391 HA ALA 52 HA ALA 52 4.335 10.258 6.666 392 1HB ALA 52 1HB ALA 52 6.633 12.155 6.228 393 2HB ALA 52 2HB ALA 52 6.642 10.383 6.393 394 3HB ALA 52 3HB ALA 52 6.077 11.133 4.881 395 H ALA 53 H ALA 53 4.216 10.280 8.865 396 HA ALA 53 HA ALA 53 3.703 12.793 10.145 397 1HB ALA 53 1HB ALA 53 3.656 9.875 10.873 398 2HB ALA 53 2HB ALA 53 3.707 11.084 12.178 399 3HB ALA 53 3HB ALA 53 2.372 11.101 11.003 400 H ASP 54 H ASP 54 5.692 13.962 9.860 401 HA ASP 54 HA ASP 54 8.178 13.117 10.263 402 1HB ASP 54 1HB ASP 54 6.851 15.602 10.162 403 2HB ASP 54 2HB ASP 54 7.718 15.660 11.684 404 H ARG 55 H ARG 55 9.660 13.710 12.292 405 HA ARG 55 HA ARG 55 8.593 12.270 14.467 406 1HB ARG 55 1HB ARG 55 11.212 13.822 14.153 407 2HB ARG 55 2HB ARG 55 10.849 12.785 15.519 408 1HG ARG 55 1HG ARG 55 10.411 10.913 13.755 409 2HG ARG 55 2HG ARG 55 11.196 11.976 12.604 410 1HD ARG 55 1HD ARG 55 13.042 12.084 14.610 411 2HD ARG 55 2HD ARG 55 12.376 10.496 14.936 412 HE ARG 55 HE ARG 55 12.797 10.470 12.190 413 1HH1 ARG 55 2HH2 ARG 55 14.831 11.129 14.985 414 2HH1 ARG 55 1HH2 ARG 55 16.283 10.579 14.218 415 1HH2 ARG 55 2HH1 ARG 55 14.714 9.744 11.177 416 2HH2 ARG 55 1HH1 ARG 55 16.216 9.786 12.038 417 H ASN 56 H ASN 56 6.801 14.252 14.330 418 HA ASN 56 HA ASN 56 7.174 15.608 16.764 419 1HB ASN 56 1HB ASN 56 8.015 16.993 14.367 420 2HB ASN 56 2HB ASN 56 6.545 17.765 14.929 421 1HD2 ASN 56 1HD2 ASN 56 8.993 19.036 14.909 422 2HD2 ASN 56 2HD2 ASN 56 9.522 19.357 16.528 423 H CYS 57 H CYS 57 5.329 13.734 15.362 424 HA CYS 57 HA CYS 57 3.209 13.426 14.823 425 1HB CYS 57 1HB CYS 57 2.977 15.362 17.134 426 2HB CYS 57 2HB CYS 57 1.563 14.636 16.395 427 HG CYS 57 HG CYS 57 2.487 12.130 16.580 428 H MET 58 H MET 58 4.423 15.077 12.952 429 HA MET 58 HA MET 58 2.203 16.813 12.280 430 1HB MET 58 1HB MET 58 5.129 17.568 12.595 431 2HB MET 58 2HB MET 58 4.190 18.386 11.363 432 1HG MET 58 1HG MET 58 3.390 18.227 14.310 433 2HG MET 58 2HG MET 58 4.204 19.597 13.582 434 1HE MET 58 1HE MET 58 3.564 20.304 11.315 435 2HE MET 58 2HE MET 58 2.049 19.873 10.486 436 3HE MET 58 3HE MET 58 2.138 21.359 11.462 437 H TRP 59 H TRP 59 1.467 15.659 10.512 438 HA TRP 59 HA TRP 59 2.871 14.049 8.854 439 1HB TRP 59 1HB TRP 59 0.677 15.860 7.861 440 2HB TRP 59 2HB TRP 59 1.099 14.255 7.298 441 HD1 TRP 59 HD TRP 59 -1.034 15.995 9.903 442 HE1 TRP 59 1HE TRP 59 -2.439 14.288 11.344 443 HE3 TRP 59 3HE TRP 59 1.357 11.823 8.248 444 HZ2 TRP 59 2HZ TRP 59 -2.394 11.448 11.623 445 HZ3 TRP 59 3HZ TRP 59 0.614 9.623 9.156 446 HH2 TRP 59 HH TRP 59 -1.191 9.395 10.786 447 H SER 60 H SER 60 3.480 14.494 6.466 448 HA SER 60 HA SER 60 4.223 17.165 5.871 449 1HB SER 60 1HB SER 60 6.103 15.657 7.333 450 2HB SER 60 2HB SER 60 6.661 15.541 5.678 451 HG SER 60 HG SER 60 7.545 17.413 6.738 452 H LYS 61 H LYS 61 3.178 16.995 3.876 453 HA LYS 61 HA LYS 61 3.076 14.729 2.309 454 1HB LYS 61 1HB LYS 61 1.970 16.041 0.798 455 2HB LYS 61 2HB LYS 61 1.817 17.044 2.226 456 1HG LYS 61 1HG LYS 61 4.064 17.350 0.180 457 2HG LYS 61 2HG LYS 61 2.580 18.282 0.137 458 1HD LYS 61 1HD LYS 61 3.441 18.573 2.793 459 2HD LYS 61 2HD LYS 61 4.939 18.597 1.884 460 1HE LYS 61 1HE LYS 61 4.504 20.779 1.418 461 2HE LYS 61 2HE LYS 61 3.234 20.218 0.349 462 1HZ LYS 61 1HZ LYS 61 2.563 20.334 3.147 463 2HZ LYS 61 2HZ LYS 61 2.789 21.774 2.410 464 3HZ LYS 61 3HZ LYS 61 1.666 20.734 1.842 465 H LYS 62 H LYS 62 4.397 13.768 0.804 466 HA LYS 62 HA LYS 62 7.007 15.067 0.446 467 1HB LYS 62 1HB LYS 62 6.389 12.543 1.503 468 2HB LYS 62 2HB LYS 62 6.960 12.215 -0.120 469 1HG LYS 62 1HG LYS 62 8.925 13.833 0.416 470 2HG LYS 62 2HG LYS 62 8.412 13.728 2.088 471 1HD LYS 62 1HD LYS 62 8.611 11.202 1.937 472 2HD LYS 62 2HD LYS 62 9.247 11.385 0.314 473 1HE LYS 62 1HE LYS 62 10.497 12.660 2.794 474 2HE LYS 62 2HE LYS 62 11.034 11.147 2.091 475 1HZ LYS 62 1HZ LYS 62 11.984 12.209 0.389 476 2HZ LYS 62 2HZ LYS 62 10.821 13.347 0.256 477 3HZ LYS 62 3HZ LYS 62 11.987 13.499 1.389 478 H CYS 63 H CYS 63 4.272 13.326 -1.085 479 HA CYS 63 HA CYS 63 4.604 14.724 -3.476 480 1HB CYS 63 1HB CYS 63 5.108 12.566 -4.872 481 2HB CYS 63 2HB CYS 63 6.425 13.508 -4.201 482 HG CYS 63 HG CYS 63 7.007 11.000 -3.888 483 H SER 64 H SER 64 2.681 14.473 -4.710 484 HA SER 64 HA SER 64 0.905 12.369 -3.759 485 1HB SER 64 1HB SER 64 -0.895 14.285 -4.424 486 2HB SER 64 2HB SER 64 -0.260 14.095 -2.801 487 HG SER 64 HG SER 64 -0.167 16.304 -4.105 488 H GLY 65 H GLY 65 -1.099 12.248 -5.431 489 1HA GLY 65 1HA GLY 65 -1.083 13.061 -7.999 490 2HA GLY 65 2HA GLY 65 0.107 11.775 -8.018 491 H VAL 66 H VAL 66 -1.092 10.264 -9.228 492 HA VAL 66 HA VAL 66 -3.646 9.445 -8.038 493 HB VAL 66 HB VAL 66 -2.559 8.826 -10.788 494 1HG1 VAL 66 1HG1 VAL 66 -4.245 7.281 -10.383 495 2HG1 VAL 66 2HG1 VAL 66 -5.194 8.414 -9.392 496 3HG1 VAL 66 3HG1 VAL 66 -5.138 8.610 -11.161 497 1HG2 VAL 66 1HG2 VAL 66 -2.811 11.043 -11.162 498 2HG2 VAL 66 2HG2 VAL 66 -4.540 10.635 -11.239 499 3HG2 VAL 66 3HG2 VAL 66 -3.845 11.277 -9.731 500 H ALA 67 H ALA 67 -3.846 7.448 -7.113 501 HA ALA 67 HA ALA 67 -1.447 5.767 -7.208 502 1HB ALA 67 1HB ALA 67 -2.497 6.732 -5.023 503 2HB ALA 67 2HB ALA 67 -3.746 5.486 -5.262 504 3HB ALA 67 3HB ALA 67 -2.041 5.012 -5.063 505 H CYS 68 H CYS 68 -1.862 3.353 -7.196 506 HA CYS 68 HA CYS 68 -4.379 2.641 -8.455 507 1HB CYS 68 1HB CYS 68 -3.421 1.583 -10.347 508 2HB CYS 68 2HB CYS 68 -2.721 3.189 -10.284 509 HG CYS 68 HG CYS 68 -1.279 0.598 -10.651 510 H LEU 69 H LEU 69 -5.056 0.591 -7.758 511 HA LEU 69 HA LEU 69 -3.268 -0.707 -5.855 512 1HB LEU 69 1HB LEU 69 -5.796 0.035 -5.537 513 2HB LEU 69 2HB LEU 69 -6.103 -1.527 -6.267 514 HG LEU 69 HG LEU 69 -4.126 -1.755 -4.152 515 1HD1 LEU 69 1HD1 LEU 69 -5.790 0.289 -3.553 516 2HD1 LEU 69 2HD1 LEU 69 -6.737 -1.085 -2.933 517 3HD1 LEU 69 3HD1 LEU 69 -5.080 -0.808 -2.344 518 1HD2 LEU 69 1HD2 LEU 69 -5.329 -3.638 -3.571 519 2HD2 LEU 69 2HD2 LEU 69 -6.883 -2.941 -4.088 520 3HD2 LEU 69 3HD2 LEU 69 -5.702 -3.483 -5.304 521 H VAL 70 H VAL 70 -1.967 -2.270 -6.640 522 HA VAL 70 HA VAL 70 -2.929 -3.768 -8.963 523 HB VAL 70 HB VAL 70 -0.181 -3.395 -7.761 524 1HG1 VAL 70 1HG1 VAL 70 -0.660 -5.673 -8.830 525 2HG1 VAL 70 2HG1 VAL 70 -0.799 -4.794 -10.370 526 3HG1 VAL 70 3HG1 VAL 70 0.730 -4.758 -9.460 527 1HG2 VAL 70 1HG2 VAL 70 0.050 -2.437 -10.249 528 2HG2 VAL 70 2HG2 VAL 70 -1.682 -2.116 -10.000 529 3HG2 VAL 70 3HG2 VAL 70 -0.481 -1.427 -8.882 530 H LYS 71 H LYS 71 -2.940 -6.072 -8.961 531 HA LYS 71 HA LYS 71 -2.448 -7.328 -6.375 532 1HB LYS 71 1HB LYS 71 -4.579 -8.390 -6.289 533 2HB LYS 71 2HB LYS 71 -4.861 -6.673 -6.487 534 1HG LYS 71 1HG LYS 71 -5.496 -6.902 -8.766 535 2HG LYS 71 2HG LYS 71 -4.699 -8.453 -8.936 536 1HD LYS 71 1HD LYS 71 -6.882 -8.324 -6.886 537 2HD LYS 71 2HD LYS 71 -7.393 -8.173 -8.556 538 1HE LYS 71 1HE LYS 71 -5.529 -10.293 -8.606 539 2HE LYS 71 2HE LYS 71 -6.416 -10.546 -7.116 540 1HZ LYS 71 1HZ LYS 71 -7.512 -11.589 -8.955 541 2HZ LYS 71 2HZ LYS 71 -8.459 -10.387 -8.384 542 3HZ LYS 71 3HZ LYS 71 -7.621 -10.179 -9.771 543 H ASP 72 H ASP 72 -1.620 -9.408 -6.535 544 HA ASP 72 HA ASP 72 -0.532 -10.064 -9.024 545 1HB ASP 72 1HB ASP 72 -0.227 -10.850 -6.307 546 2HB ASP 72 2HB ASP 72 -0.660 -12.318 -7.160 547 H ASN 73 H ASN 73 -1.023 -12.011 -10.340 548 HA ASN 73 HA ASN 73 -3.712 -12.414 -10.731 549 1HB ASN 73 1HB ASN 73 -1.244 -13.258 -11.916 550 2HB ASN 73 2HB ASN 73 -2.147 -14.728 -11.605 551 1HD2 ASN 73 1HD2 ASN 73 -2.138 -11.620 -13.214 552 2HD2 ASN 73 2HD2 ASN 73 -3.381 -11.942 -14.377 553 HA PRO 74 HA PRO 74 -2.970 -16.462 -8.294 554 1HB PRO 74 1HB PRO 74 -0.630 -16.801 -6.922 555 2HB PRO 74 2HB PRO 74 -0.901 -17.445 -8.530 556 1HG PRO 74 1HG PRO 74 0.720 -15.110 -7.718 557 2HG PRO 74 2HG PRO 74 0.772 -16.014 -9.217 558 1HD PRO 74 1HD PRO 74 -0.432 -13.444 -8.803 559 2HD PRO 74 2HD PRO 74 -0.480 -14.399 -10.271 560 H GLN 75 H GLN 75 -2.590 -13.367 -7.295 561 HA GLN 75 HA GLN 75 -3.033 -12.285 -5.459 562 1HB GLN 75 1HB GLN 75 -5.215 -13.751 -5.987 563 2HB GLN 75 2HB GLN 75 -4.830 -14.479 -4.441 564 1HG GLN 75 1HG GLN 75 -4.535 -11.788 -3.855 565 2HG GLN 75 2HG GLN 75 -5.818 -11.737 -5.048 566 1HE2 GLN 75 1HE2 GLN 75 -4.775 -13.140 -1.995 567 2HE2 GLN 75 2HE2 GLN 75 -6.342 -13.503 -1.351 568 H ARG 76 H ARG 76 -0.622 -13.413 -5.146 569 HA ARG 76 HA ARG 76 -0.737 -14.772 -2.581 570 1HB ARG 76 1HB ARG 76 0.951 -15.043 -4.965 571 2HB ARG 76 2HB ARG 76 1.943 -14.771 -3.546 572 1HG ARG 76 1HG ARG 76 0.530 -16.614 -2.388 573 2HG ARG 76 2HG ARG 76 -0.103 -16.987 -3.979 574 1HD ARG 76 1HD ARG 76 2.826 -16.760 -4.045 575 2HD ARG 76 2HD ARG 76 2.317 -17.938 -2.852 576 HE ARG 76 HE ARG 76 0.807 -18.346 -5.261 577 1HH1 ARG 76 2HH2 ARG 76 4.065 -18.750 -3.992 578 2HH1 ARG 76 1HH2 ARG 76 4.454 -20.060 -5.055 579 1HH2 ARG 76 2HH1 ARG 76 1.320 -20.075 -6.664 580 2HH2 ARG 76 1HH1 ARG 76 2.883 -20.819 -6.585 581 H SER 77 H SER 77 -0.112 -11.757 -4.117 582 HA SER 77 HA SER 77 0.641 -10.585 -1.688 583 1HB SER 77 1HB SER 77 2.884 -9.722 -2.408 584 2HB SER 77 2HB SER 77 2.861 -11.456 -2.157 585 HG SER 77 HG SER 77 2.388 -10.347 -4.773 586 H TYR 78 H TYR 78 0.064 -8.399 -1.756 587 HA TYR 78 HA TYR 78 -0.861 -7.447 -4.360 588 1HB TYR 78 1HB TYR 78 -1.232 -6.648 -1.409 589 2HB TYR 78 2HB TYR 78 -1.933 -5.717 -2.718 590 HD1 TYR 78 1HD TYR 78 -2.753 -7.985 -0.296 591 HD2 TYR 78 2HD TYR 78 -3.203 -7.442 -4.516 592 HE1 TYR 78 1HE TYR 78 -4.802 -9.491 -0.279 593 HE2 TYR 78 2HE TYR 78 -5.249 -8.950 -4.485 594 HH TYR 78 HH TYR 78 -6.122 -10.745 -1.623 595 H PHE 79 H PHE 79 -0.366 -5.281 -5.093 596 HA PHE 79 HA PHE 79 1.965 -4.103 -3.766 597 1HB PHE 79 1HB PHE 79 1.414 -4.579 -6.757 598 2HB PHE 79 2HB PHE 79 2.776 -3.653 -6.160 599 HD1 PHE 79 1HD PHE 79 2.088 -6.611 -7.591 600 HD2 PHE 79 2HD PHE 79 3.950 -5.154 -4.067 601 HE1 PHE 79 1HE PHE 79 3.452 -8.712 -7.442 602 HE2 PHE 79 2HE PHE 79 5.314 -7.255 -3.919 603 HZ PHE 79 HZ PHE 79 5.048 -9.010 -5.608 604 H LEU 80 H LEU 80 1.733 -1.946 -3.369 605 HA LEU 80 HA LEU 80 -0.296 -0.537 -4.957 606 1HB LEU 80 1HB LEU 80 -1.044 -1.109 -2.652 607 2HB LEU 80 2HB LEU 80 0.280 -0.154 -2.017 608 HG LEU 80 HG LEU 80 -0.680 1.846 -3.209 609 1HD1 LEU 80 1HD1 LEU 80 -2.873 1.821 -4.108 610 2HD1 LEU 80 2HD1 LEU 80 -2.005 0.456 -4.852 611 3HD1 LEU 80 3HD1 LEU 80 -3.169 0.161 -3.538 612 1HD2 LEU 80 1HD2 LEU 80 -1.025 1.714 -0.878 613 2HD2 LEU 80 2HD2 LEU 80 -2.614 2.090 -1.585 614 3HD2 LEU 80 3HD2 LEU 80 -2.249 0.433 -1.048 615 H ARG 81 H ARG 81 0.294 1.447 -5.790 616 HA ARG 81 HA ARG 81 2.695 2.644 -4.777 617 1HB ARG 81 1HB ARG 81 3.612 2.865 -7.169 618 2HB ARG 81 2HB ARG 81 3.704 1.259 -6.473 619 1HG ARG 81 1HG ARG 81 2.233 0.382 -7.990 620 2HG ARG 81 2HG ARG 81 1.139 1.745 -7.862 621 1HD ARG 81 1HD ARG 81 1.864 2.364 -9.931 622 2HD ARG 81 2HD ARG 81 3.357 2.861 -9.159 623 HE ARG 81 HE ARG 81 3.777 0.170 -9.527 624 1HH1 ARG 81 2HH2 ARG 81 2.698 2.722 -11.696 625 2HH1 ARG 81 1HH2 ARG 81 3.364 1.977 -13.111 626 1HH2 ARG 81 2HH1 ARG 81 4.656 -0.814 -11.394 627 2HH2 ARG 81 1HH1 ARG 81 4.485 -0.048 -12.938 628 H ILE 82 H ILE 82 3.052 4.871 -5.899 629 HA ILE 82 HA ILE 82 0.486 5.911 -6.873 630 HB ILE 82 HB ILE 82 2.270 6.951 -4.697 631 1HG1 ILE 82 1HG1 ILE 82 -0.643 7.230 -4.490 632 2HG1 ILE 82 2HG1 ILE 82 -0.129 5.567 -4.693 633 1HG2 ILE 82 1HG2 ILE 82 2.164 8.978 -5.665 634 2HG2 ILE 82 2HG2 ILE 82 0.801 8.529 -6.716 635 3HG2 ILE 82 3HG2 ILE 82 0.505 8.984 -5.021 636 1HD1 ILE 82 1HD1 ILE 82 0.402 5.538 -2.491 637 2HD1 ILE 82 2HD1 ILE 82 1.719 6.680 -2.851 638 3HD1 ILE 82 3HD1 ILE 82 0.122 7.291 -2.356 639 H PHE 83 H PHE 83 0.605 7.435 -8.547 640 HA PHE 83 HA PHE 83 3.323 7.898 -9.555 641 1HB PHE 83 1HB PHE 83 1.727 7.982 -11.785 642 2HB PHE 83 2HB PHE 83 2.459 6.491 -11.224 643 HD1 PHE 83 1HD PHE 83 1.052 5.080 -9.550 644 HD2 PHE 83 2HD PHE 83 -0.579 8.106 -12.036 645 HE1 PHE 83 1HE PHE 83 -1.225 4.055 -9.301 646 HE2 PHE 83 2HE PHE 83 -2.858 7.082 -11.788 647 HZ PHE 83 HZ PHE 83 -3.153 5.069 -10.424 648 H ASP 84 H ASP 84 3.657 9.914 -10.714 649 HA ASP 84 HA ASP 84 2.219 12.016 -9.535 650 1HB ASP 84 1HB ASP 84 4.688 11.912 -10.414 651 2HB ASP 84 2HB ASP 84 4.000 12.256 -11.990 652 H ILE 85 H ILE 85 1.161 13.816 -10.924 653 HA ILE 85 HA ILE 85 -0.327 12.561 -13.118 654 HB ILE 85 HB ILE 85 -1.679 13.201 -11.210 655 1HG1 ILE 85 1HG1 ILE 85 -2.275 15.195 -13.391 656 2HG1 ILE 85 2HG1 ILE 85 -2.404 13.472 -13.684 657 1HG2 ILE 85 1HG2 ILE 85 -1.655 16.041 -11.367 658 2HG2 ILE 85 2HG2 ILE 85 -1.230 14.995 -9.992 659 3HG2 ILE 85 3HG2 ILE 85 0.023 15.490 -11.153 660 1HD1 ILE 85 1HD1 ILE 85 -4.536 14.713 -12.876 661 2HD1 ILE 85 2HD1 ILE 85 -4.118 13.191 -12.052 662 3HD1 ILE 85 3HD1 ILE 85 -3.751 14.753 -11.279 663 H LYS 86 H LYS 86 2.202 14.723 -12.377 664 HA LYS 86 HA LYS 86 1.730 16.193 -14.875 665 1HB LYS 86 1HB LYS 86 2.667 17.000 -12.219 666 2HB LYS 86 2HB LYS 86 3.744 17.517 -13.500 667 1HG LYS 86 1HG LYS 86 0.816 17.886 -14.027 668 2HG LYS 86 2HG LYS 86 1.499 18.896 -12.767 669 1HD LYS 86 1HD LYS 86 3.083 18.694 -15.308 670 2HD LYS 86 2HD LYS 86 1.565 19.562 -15.409 671 1HE LYS 86 1HE LYS 86 2.516 21.373 -14.433 672 2HE LYS 86 2HE LYS 86 2.867 20.431 -12.998 673 1HZ LYS 86 1HZ LYS 86 4.590 20.160 -15.330 674 2HZ LYS 86 2HZ LYS 86 4.772 21.451 -14.345 675 3HZ LYS 86 3HZ LYS 86 4.950 19.939 -13.752 676 H ASP 87 H ASP 87 4.110 14.360 -12.888 677 HA ASP 87 HA ASP 87 5.919 14.397 -15.132 678 1HB ASP 87 1HB ASP 87 6.433 14.580 -12.501 679 2HB ASP 87 2HB ASP 87 6.416 12.831 -12.597 680 H GLY 88 H GLY 88 3.332 12.551 -13.810 681 1HA GLY 88 1HA GLY 88 2.609 10.425 -14.041 682 2HA GLY 88 2HA GLY 88 3.207 10.594 -15.680 683 H LYS 89 H LYS 89 4.897 10.369 -12.466 684 HA LYS 89 HA LYS 89 6.150 7.907 -13.433 685 1HB LYS 89 1HB LYS 89 7.554 10.376 -12.398 686 2HB LYS 89 2HB LYS 89 8.301 8.792 -12.356 687 1HG LYS 89 1HG LYS 89 7.067 9.478 -14.975 688 2HG LYS 89 2HG LYS 89 8.389 10.531 -14.514 689 1HD LYS 89 1HD LYS 89 8.959 7.665 -14.016 690 2HD LYS 89 2HD LYS 89 8.657 8.024 -15.705 691 1HE LYS 89 1HE LYS 89 10.364 10.097 -14.588 692 2HE LYS 89 2HE LYS 89 11.046 8.530 -14.204 693 1HZ LYS 89 1HZ LYS 89 11.745 8.457 -16.274 694 2HZ LYS 89 2HZ LYS 89 10.204 8.387 -16.810 695 3HZ LYS 89 3HZ LYS 89 10.958 9.829 -16.677 696 H LEU 90 H LEU 90 7.289 6.754 -11.521 697 HA LEU 90 HA LEU 90 5.349 6.380 -9.524 698 1HB LEU 90 1HB LEU 90 7.894 5.228 -10.349 699 2HB LEU 90 2HB LEU 90 7.716 5.253 -8.606 700 HG LEU 90 HG LEU 90 6.958 3.148 -9.748 701 1HD1 LEU 90 1HD1 LEU 90 5.353 2.723 -8.163 702 2HD1 LEU 90 2HD1 LEU 90 6.132 4.167 -7.471 703 3HD1 LEU 90 3HD1 LEU 90 4.587 4.321 -8.342 704 1HD2 LEU 90 1HD2 LEU 90 5.933 4.282 -11.718 705 2HD2 LEU 90 2HD2 LEU 90 4.876 3.080 -10.939 706 3HD2 LEU 90 3HD2 LEU 90 4.602 4.817 -10.664 707 H LEU 91 H LEU 91 4.994 7.413 -7.627 708 HA LEU 91 HA LEU 91 7.105 9.262 -6.756 709 1HB LEU 91 1HB LEU 91 4.108 9.436 -6.720 710 2HB LEU 91 2HB LEU 91 5.066 10.350 -5.572 711 HG LEU 91 HG LEU 91 5.174 10.561 -8.592 712 1HD1 LEU 91 1HD1 LEU 91 3.887 12.410 -8.460 713 2HD1 LEU 91 2HD1 LEU 91 3.317 11.640 -6.960 714 3HD1 LEU 91 3HD1 LEU 91 4.565 12.909 -6.891 715 1HD2 LEU 91 1HD2 LEU 91 6.618 12.684 -7.656 716 2HD2 LEU 91 2HD2 LEU 91 7.100 11.393 -6.528 717 3HD2 LEU 91 3HD2 LEU 91 7.309 11.168 -8.282 718 H TRP 92 H TRP 92 5.142 6.461 -6.015 719 HA TRP 92 HA TRP 92 6.642 6.030 -3.627 720 1HB TRP 92 1HB TRP 92 5.006 7.598 -2.739 721 2HB TRP 92 2HB TRP 92 3.690 6.629 -3.373 722 HD1 TRP 92 HD TRP 92 6.449 6.418 -0.646 723 HE1 TRP 92 1HE TRP 92 5.751 4.739 1.266 724 HE3 TRP 92 3HE TRP 92 2.222 4.752 -2.929 725 HZ2 TRP 92 2HZ TRP 92 3.560 2.942 1.602 726 HZ3 TRP 92 3HZ TRP 92 0.860 3.035 -1.741 727 HH2 TRP 92 HH TRP 92 1.468 2.133 0.448 728 H GLU 93 H GLU 93 6.675 3.798 -3.183 729 HA GLU 93 HA GLU 93 4.680 2.177 -4.485 730 1HB GLU 93 1HB GLU 93 6.700 2.531 -6.062 731 2HB GLU 93 2HB GLU 93 7.627 1.569 -4.927 732 1HG GLU 93 1HG GLU 93 5.312 0.037 -5.289 733 2HG GLU 93 2HG GLU 93 5.582 0.710 -6.884 734 H GLN 94 H GLN 94 4.022 0.598 -3.082 735 HA GLN 94 HA GLN 94 5.974 -0.231 -1.083 736 1HB GLN 94 1HB GLN 94 3.832 1.359 -0.467 737 2HB GLN 94 2HB GLN 94 3.100 -0.221 -0.268 738 1HG GLN 94 1HG GLN 94 5.739 0.601 1.032 739 2HG GLN 94 2HG GLN 94 4.184 0.708 1.834 740 1HE2 GLN 94 1HE2 GLN 94 2.829 -1.381 1.587 741 2HE2 GLN 94 2HE2 GLN 94 3.642 -2.864 1.960 742 H GLU 95 H GLU 95 6.084 -2.453 -0.703 743 HA GLU 95 HA GLU 95 4.387 -4.025 -2.451 744 1HB GLU 95 1HB GLU 95 7.086 -4.458 -1.163 745 2HB GLU 95 2HB GLU 95 6.149 -5.851 -1.660 746 1HG GLU 95 1HG GLU 95 6.286 -5.323 -3.934 747 2HG GLU 95 2HG GLU 95 6.423 -3.601 -3.641 748 H LEU 96 H LEU 96 2.447 -4.043 -1.179 749 HA LEU 96 HA LEU 96 2.132 -4.387 1.453 750 1HB LEU 96 1HB LEU 96 0.543 -5.790 -0.700 751 2HB LEU 96 2HB LEU 96 0.014 -5.505 0.945 752 HG LEU 96 HG LEU 96 0.637 -3.343 -1.087 753 1HD1 LEU 96 1HD1 LEU 96 -1.356 -3.867 -1.940 754 2HD1 LEU 96 2HD1 LEU 96 -1.769 -4.920 -0.566 755 3HD1 LEU 96 3HD1 LEU 96 -2.043 -3.165 -0.455 756 1HD2 LEU 96 1HD2 LEU 96 -0.250 -1.770 0.502 757 2HD2 LEU 96 2HD2 LEU 96 -0.640 -3.076 1.646 758 3HD2 LEU 96 3HD2 LEU 96 1.058 -2.696 1.276 759 H TYR 97 H TYR 97 1.993 -6.119 2.964 760 HA TYR 97 HA TYR 97 3.319 -8.579 2.037 761 1HB TYR 97 1HB TYR 97 3.964 -8.435 4.670 762 2HB TYR 97 2HB TYR 97 4.917 -7.573 3.480 763 HD1 TYR 97 1HD TYR 97 2.435 -7.239 6.170 764 HD2 TYR 97 2HD TYR 97 4.786 -5.138 3.279 765 HE1 TYR 97 1HE TYR 97 1.954 -5.045 7.362 766 HE2 TYR 97 2HE TYR 97 4.298 -2.951 4.481 767 HH TYR 97 HH TYR 97 2.706 -2.916 7.581 768 H ASN 98 H ASN 98 2.831 -10.515 3.425 769 HA ASN 98 HA ASN 98 0.175 -10.977 3.542 770 1HB ASN 98 1HB ASN 98 2.329 -12.541 3.863 771 2HB ASN 98 2HB ASN 98 2.003 -12.305 5.568 772 1HD2 ASN 98 1HD2 ASN 98 0.543 -13.281 2.498 773 2HD2 ASN 98 2HD2 ASN 98 -0.611 -14.404 3.137 774 H ASN 99 H ASN 99 -1.378 -11.092 5.354 775 HA ASN 99 HA ASN 99 -2.333 -10.464 7.197 776 1HB ASN 99 1HB ASN 99 0.506 -10.695 8.043 777 2HB ASN 99 2HB ASN 99 -0.405 -9.576 9.036 778 1HD2 ASN 99 1HD2 ASN 99 0.691 -12.459 9.222 779 2HD2 ASN 99 2HD2 ASN 99 -0.601 -13.366 9.938 780 H PHE 100 H PHE 100 -2.140 -8.555 5.166 781 HA PHE 100 HA PHE 100 -1.123 -6.102 6.314 782 1HB PHE 100 1HB PHE 100 -0.799 -6.615 3.905 783 2HB PHE 100 2HB PHE 100 -2.507 -6.953 3.705 784 HD1 PHE 100 1HD PHE 100 -0.494 -4.108 5.072 785 HD2 PHE 100 2HD PHE 100 -3.617 -5.360 2.485 786 HE1 PHE 100 1HE PHE 100 -0.886 -1.724 4.391 787 HE2 PHE 100 2HE PHE 100 -4.008 -2.976 1.804 788 HZ PHE 100 HZ PHE 100 -2.639 -1.186 2.766 789 H VAL 101 H VAL 101 -2.359 -4.412 7.114 790 HA VAL 101 HA VAL 101 -5.268 -4.811 7.020 791 HB VAL 101 HB VAL 101 -4.403 -5.456 9.200 792 1HG1 VAL 101 1HG1 VAL 101 -2.368 -4.339 9.487 793 2HG1 VAL 101 2HG1 VAL 101 -3.070 -2.751 9.092 794 3HG1 VAL 101 3HG1 VAL 101 -3.449 -3.530 10.647 795 1HG2 VAL 101 1HG2 VAL 101 -6.562 -4.571 9.357 796 2HG2 VAL 101 2HG2 VAL 101 -5.651 -3.652 10.579 797 3HG2 VAL 101 3HG2 VAL 101 -6.016 -2.915 9.002 798 H TYR 102 H TYR 102 -6.533 -2.827 7.048 799 HA TYR 102 HA TYR 102 -4.933 -0.501 6.211 800 1HB TYR 102 1HB TYR 102 -6.702 -2.049 4.727 801 2HB TYR 102 2HB TYR 102 -7.828 -0.905 5.430 802 HD1 TYR 102 1HD TYR 102 -4.318 -0.242 4.339 803 HD2 TYR 102 2HD TYR 102 -8.479 0.380 3.565 804 HE1 TYR 102 1HE TYR 102 -3.736 1.448 2.532 805 HE2 TYR 102 2HE TYR 102 -7.883 2.068 1.760 806 HH TYR 102 HH TYR 102 -6.307 3.133 0.745 807 H ASN 103 H ASN 103 -5.066 1.179 7.607 808 HA ASN 103 HA ASN 103 -7.235 1.146 9.498 809 1HB ASN 103 1HB ASN 103 -4.708 2.850 9.230 810 2HB ASN 103 2HB ASN 103 -5.906 3.137 10.477 811 1HD2 ASN 103 1HD2 ASN 103 -5.591 2.198 12.338 812 2HD2 ASN 103 2HD2 ASN 103 -4.676 0.761 12.653 813 H SER 104 H SER 104 -8.747 2.941 9.694 814 HA SER 104 HA SER 104 -8.453 5.194 8.000 815 1HB SER 104 1HB SER 104 -9.345 3.817 6.266 816 2HB SER 104 2HB SER 104 -10.489 3.042 7.345 817 HG SER 104 HG SER 104 -11.691 4.526 6.177 818 HA PRO 105 HA PRO 105 -10.964 5.558 11.818 819 1HB PRO 105 1HB PRO 105 -9.297 7.173 13.260 820 2HB PRO 105 2HB PRO 105 -9.331 5.430 13.435 821 1HG PRO 105 1HG PRO 105 -7.320 7.117 12.076 822 2HG PRO 105 2HG PRO 105 -7.171 5.461 12.627 823 1HD PRO 105 1HD PRO 105 -7.556 6.342 9.925 824 2HD PRO 105 2HD PRO 105 -7.522 4.684 10.492 825 H ARG 106 H ARG 106 -9.962 7.373 9.311 826 HA ARG 106 HA ARG 106 -11.387 9.685 10.340 827 1HB ARG 106 1HB ARG 106 -9.081 9.312 8.510 828 2HB ARG 106 2HB ARG 106 -10.269 10.437 7.882 829 1HG ARG 106 1HG ARG 106 -9.249 10.644 10.743 830 2HG ARG 106 2HG ARG 106 -8.387 11.389 9.411 831 1HD ARG 106 1HD ARG 106 -9.952 13.055 9.157 832 2HD ARG 106 2HD ARG 106 -11.303 11.965 9.401 833 HE ARG 106 HE ARG 106 -10.142 12.137 11.921 834 1HH1 ARG 106 2HH2 ARG 106 -11.372 14.486 9.608 835 2HH1 ARG 106 1HH2 ARG 106 -11.828 15.633 10.822 836 1HH2 ARG 106 2HH1 ARG 106 -10.744 13.650 13.523 837 2HH2 ARG 106 1HH1 ARG 106 -11.469 15.155 13.065 838 H GLY 107 H GLY 107 -12.274 10.946 8.060 839 1HA GLY 107 1HA GLY 107 -14.455 9.281 7.236 840 2HA GLY 107 2HA GLY 107 -14.122 10.933 6.753 841 H TYR 108 H TYR 108 -11.525 10.721 5.648 842 HA TYR 108 HA TYR 108 -11.650 8.599 3.670 843 1HB TYR 108 1HB TYR 108 -11.469 10.395 1.865 844 2HB TYR 108 2HB TYR 108 -12.999 10.470 2.717 845 HD1 TYR 108 1HD TYR 108 -13.335 12.232 4.502 846 HD2 TYR 108 2HD TYR 108 -9.943 12.228 1.895 847 HE1 TYR 108 1HE TYR 108 -12.895 14.673 5.059 848 HE2 TYR 108 2HE TYR 108 -9.514 14.669 2.461 849 HH TYR 108 HH TYR 108 -11.472 16.656 3.461 850 H PHE 109 H PHE 109 -9.842 8.891 5.811 851 HA PHE 109 HA PHE 109 -7.420 9.465 4.293 852 1HB PHE 109 1HB PHE 109 -8.152 11.425 5.812 853 2HB PHE 109 2HB PHE 109 -8.028 10.338 7.180 854 HD1 PHE 109 1HD PHE 109 -6.319 12.718 5.241 855 HD2 PHE 109 2HD PHE 109 -5.691 9.159 7.464 856 HE1 PHE 109 1HE PHE 109 -3.889 13.297 5.480 857 HE2 PHE 109 2HE PHE 109 -3.260 9.737 7.703 858 HZ PHE 109 HZ PHE 109 -2.389 11.799 6.709 859 H HIS 110 H HIS 110 -6.532 7.440 4.186 860 HA HIS 110 HA HIS 110 -6.701 5.791 6.582 861 1HB HIS 110 1HB HIS 110 -5.735 4.957 3.841 862 2HB HIS 110 2HB HIS 110 -6.215 3.924 5.173 863 HD2 HIS 110 2HD HIS 110 -9.062 6.061 5.482 864 HE1 HIS 110 1HE HIS 110 -10.067 3.860 1.981 865 HE2 HIS 110 2HE HIS 110 -10.937 5.346 3.913 866 H THR 111 H THR 111 -4.778 4.760 7.455 867 HA THR 111 HA THR 111 -2.331 6.259 6.783 868 HB THR 111 HB THR 111 -1.770 5.771 9.237 869 HG1 THR 111 1HG THR 111 -3.210 4.118 9.778 870 1HG2 THR 111 1HG2 THR 111 -3.373 7.815 8.222 871 2HG2 THR 111 2HG2 THR 111 -4.418 7.098 9.471 872 3HG2 THR 111 3HG2 THR 111 -2.807 7.714 9.906 873 H PHE 112 H PHE 112 -0.279 5.090 7.079 874 HA PHE 112 HA PHE 112 -0.590 2.197 6.898 875 1HB PHE 112 1HB PHE 112 -0.545 3.045 4.569 876 2HB PHE 112 2HB PHE 112 0.773 4.137 4.944 877 HD1 PHE 112 1HD PHE 112 -0.090 0.548 4.607 878 HD2 PHE 112 2HD PHE 112 3.011 3.442 4.725 879 HE1 PHE 112 1HE PHE 112 1.562 -1.191 3.865 880 HE2 PHE 112 2HE PHE 112 4.662 1.705 3.983 881 HZ PHE 112 HZ PHE 112 3.918 -0.592 3.562 882 H ALA 113 H ALA 113 1.685 1.118 6.923 883 HA ALA 113 HA ALA 113 3.358 2.671 8.775 884 1HB ALA 113 1HB ALA 113 3.957 0.567 9.797 885 2HB ALA 113 2HB ALA 113 2.182 0.622 9.673 886 3HB ALA 113 3HB ALA 113 3.125 -0.351 8.519 887 H GLY 114 H GLY 114 5.236 3.374 7.904 888 1HA GLY 114 1HA GLY 114 6.165 2.218 5.406 889 2HA GLY 114 2HA GLY 114 6.771 3.647 6.220 890 H ASP 115 H ASP 115 6.277 0.763 8.179 891 HA ASP 115 HA ASP 115 7.624 -0.630 9.152 892 1HB ASP 115 1HB ASP 115 8.422 -1.540 7.114 893 2HB ASP 115 2HB ASP 115 9.241 -0.059 6.659 894 H THR 116 H THR 116 10.007 1.684 7.637 895 HA THR 116 HA THR 116 11.358 2.021 10.153 896 HB THR 116 HB THR 116 12.449 1.887 7.844 897 HG1 THR 116 1HG THR 116 12.642 3.897 9.874 898 1HG2 THR 116 1HG2 THR 116 10.688 3.555 6.822 899 2HG2 THR 116 2HG2 THR 116 11.655 4.818 7.622 900 3HG2 THR 116 3HG2 THR 116 12.398 3.777 6.384 901 H CYS 117 H CYS 117 9.222 4.003 8.031 902 HA CYS 117 HA CYS 117 8.877 5.752 10.352 903 1HB CYS 117 1HB CYS 117 10.286 6.651 8.297 904 2HB CYS 117 2HB CYS 117 8.705 6.898 7.583 905 HG CYS 117 HG CYS 117 9.601 9.131 8.677 906 H GLN 118 H GLN 118 6.694 6.892 10.276 907 HA GLN 118 HA GLN 118 4.773 5.051 9.126 908 1HB GLN 118 1HB GLN 118 4.833 5.782 11.635 909 2HB GLN 118 2HB GLN 118 4.137 7.289 11.074 910 1HG GLN 118 1HG GLN 118 2.762 4.944 9.930 911 2HG GLN 118 2HG GLN 118 2.727 4.936 11.682 912 1HE2 GLN 118 1HE2 GLN 118 0.391 5.156 10.549 913 2HE2 GLN 118 2HE2 GLN 118 -0.267 6.758 10.617 914 H VAL 119 H VAL 119 3.608 5.601 7.330 915 HA VAL 119 HA VAL 119 3.458 8.466 6.693 916 HB VAL 119 HB VAL 119 3.525 7.785 4.319 917 1HG1 VAL 119 1HG1 VAL 119 5.829 7.300 6.183 918 2HG1 VAL 119 2HG1 VAL 119 6.027 6.971 4.444 919 3HG1 VAL 119 3HG1 VAL 119 5.576 8.603 4.996 920 1HG2 VAL 119 1HG2 VAL 119 2.768 5.405 4.780 921 2HG2 VAL 119 2HG2 VAL 119 4.107 5.587 3.621 922 3HG2 VAL 119 3HG2 VAL 119 4.439 5.065 5.290 923 H ALA 120 H ALA 120 1.470 9.215 5.807 924 HA ALA 120 HA ALA 120 -0.718 7.268 6.088 925 1HB ALA 120 1HB ALA 120 -1.477 8.675 7.676 926 2HB ALA 120 2HB ALA 120 -0.250 9.899 7.273 927 3HB ALA 120 3HB ALA 120 -1.783 9.845 6.370 928 H LEU 121 H LEU 121 -2.690 7.907 4.720 929 HA LEU 121 HA LEU 121 -1.820 9.222 2.250 930 1HB LEU 121 1HB LEU 121 -3.065 7.504 0.979 931 2HB LEU 121 2HB LEU 121 -1.610 6.923 1.765 932 HG LEU 121 HG LEU 121 -4.215 6.583 3.199 933 1HD1 LEU 121 1HD1 LEU 121 -5.182 5.399 1.594 934 2HD1 LEU 121 2HD1 LEU 121 -3.763 5.590 0.536 935 3HD1 LEU 121 3HD1 LEU 121 -3.840 4.233 1.685 936 1HD2 LEU 121 1HD2 LEU 121 -1.598 5.089 3.033 937 2HD2 LEU 121 2HD2 LEU 121 -2.352 5.876 4.440 938 3HD2 LEU 121 3HD2 LEU 121 -3.054 4.382 3.775 939 H ASN 122 H ASN 122 -3.325 10.598 1.333 940 HA ASN 122 HA ASN 122 -5.927 10.603 2.644 941 1HB ASN 122 1HB ASN 122 -4.613 12.503 3.526 942 2HB ASN 122 2HB ASN 122 -4.174 13.004 1.905 943 1HD2 ASN 122 1HD2 ASN 122 -7.254 11.883 3.286 944 2HD2 ASN 122 2HD2 ASN 122 -8.193 13.288 2.905 945 H PHE 123 H PHE 123 -7.461 10.196 1.047 946 HA PHE 123 HA PHE 123 -6.781 10.380 -1.695 947 1HB PHE 123 1HB PHE 123 -9.489 10.133 -0.250 948 2HB PHE 123 2HB PHE 123 -9.194 9.680 -1.917 949 HD1 PHE 123 1HD PHE 123 -7.876 7.667 -2.441 950 HD2 PHE 123 2HD PHE 123 -8.825 8.699 1.565 951 HE1 PHE 123 1HE PHE 123 -7.293 5.340 -1.703 952 HE2 PHE 123 2HE PHE 123 -8.240 6.372 2.302 953 HZ PHE 123 HZ PHE 123 -7.482 4.721 0.659 954 H ALA 124 H ALA 124 -8.142 11.601 -3.325 955 HA ALA 124 HA ALA 124 -8.335 14.349 -2.445 956 1HB ALA 124 1HB ALA 124 -9.085 13.709 -5.217 957 2HB ALA 124 2HB ALA 124 -7.833 14.813 -4.599 958 3HB ALA 124 3HB ALA 124 -7.485 13.076 -4.760 959 H ASN 125 H ASN 125 -10.397 11.584 -3.283 960 HA ASN 125 HA ASN 125 -12.685 13.350 -2.887 961 1HB ASN 125 1HB ASN 125 -12.089 11.550 -5.054 962 2HB ASN 125 2HB ASN 125 -13.414 10.832 -4.160 963 1HD2 ASN 125 1HD2 ASN 125 -13.673 11.752 -6.748 964 2HD2 ASN 125 2HD2 ASN 125 -14.736 13.118 -6.802 965 H GLU 126 H GLU 126 -14.550 12.273 -1.728 966 HA GLU 126 HA GLU 126 -13.570 10.632 0.360 967 1HB GLU 126 1HB GLU 126 -15.252 12.374 0.788 968 2HB GLU 126 2HB GLU 126 -16.379 11.608 -0.312 969 1HG GLU 126 1HG GLU 126 -16.085 9.489 1.227 970 2HG GLU 126 2HG GLU 126 -15.425 10.617 2.394 971 H GLU 127 H GLU 127 -15.975 10.220 -2.329 972 HA GLU 127 HA GLU 127 -16.697 7.654 -1.744 973 1HB GLU 127 1HB GLU 127 -16.677 9.369 -4.196 974 2HB GLU 127 2HB GLU 127 -16.878 7.649 -4.463 975 1HG GLU 127 1HG GLU 127 -18.770 7.632 -2.805 976 2HG GLU 127 2HG GLU 127 -18.585 9.362 -2.594 977 H GLU 128 H GLU 128 -14.004 8.840 -3.865 978 HA GLU 128 HA GLU 128 -13.149 6.395 -4.730 979 1HB GLU 128 1HB GLU 128 -12.092 9.127 -4.585 980 2HB GLU 128 2HB GLU 128 -10.812 7.943 -4.421 981 1HG GLU 128 1HG GLU 128 -12.063 6.774 -6.481 982 2HG GLU 128 2HG GLU 128 -12.701 8.386 -6.738 983 H ALA 129 H ALA 129 -12.741 7.990 -1.588 984 HA ALA 129 HA ALA 129 -10.639 6.233 -0.740 985 1HB ALA 129 1HB ALA 129 -10.685 8.455 0.162 986 2HB ALA 129 2HB ALA 129 -12.393 8.297 0.638 987 3HB ALA 129 3HB ALA 129 -11.142 7.358 1.486 988 H LYS 130 H LYS 130 -14.207 6.443 -0.522 989 HA LYS 130 HA LYS 130 -14.455 4.407 1.424 990 1HB LYS 130 1HB LYS 130 -16.202 6.032 1.144 991 2HB LYS 130 2HB LYS 130 -16.397 5.631 -0.550 992 1HG LYS 130 1HG LYS 130 -16.639 3.220 1.087 993 2HG LYS 130 2HG LYS 130 -17.742 4.455 1.664 994 1HD LYS 130 1HD LYS 130 -17.716 4.299 -1.279 995 2HD LYS 130 2HD LYS 130 -18.140 2.762 -0.551 996 1HE LYS 130 1HE LYS 130 -19.987 3.747 0.680 997 2HE LYS 130 2HE LYS 130 -19.459 5.375 0.306 998 1HZ LYS 130 1HZ LYS 130 -21.289 4.512 -1.088 999 2HZ LYS 130 2HZ LYS 130 -20.008 5.053 -1.945 1000 3HZ LYS 130 3HZ LYS 130 -20.250 3.448 -1.761 1001 H LYS 131 H LYS 131 -14.631 4.481 -2.188 1002 HA LYS 131 HA LYS 131 -15.217 1.747 -2.439 1003 1HB LYS 131 1HB LYS 131 -14.644 2.081 -4.798 1004 2HB LYS 131 2HB LYS 131 -15.694 3.350 -4.201 1005 1HG LYS 131 1HG LYS 131 -14.125 4.700 -5.223 1006 2HG LYS 131 2HG LYS 131 -13.324 4.542 -3.671 1007 1HD LYS 131 1HD LYS 131 -11.546 3.848 -4.945 1008 2HD LYS 131 2HD LYS 131 -12.361 2.298 -4.891 1009 1HE LYS 131 1HE LYS 131 -13.144 4.263 -7.053 1010 2HE LYS 131 2HE LYS 131 -11.633 3.390 -7.224 1011 1HZ LYS 131 1HZ LYS 131 -13.568 2.265 -8.193 1012 2HZ LYS 131 2HZ LYS 131 -12.795 1.349 -7.084 1013 3HZ LYS 131 3HZ LYS 131 -14.207 2.076 -6.703 1014 H PHE 132 H PHE 132 -12.251 3.565 -1.830 1015 HA PHE 132 HA PHE 132 -10.437 1.632 -2.724 1016 1HB PHE 132 1HB PHE 132 -10.468 4.208 -1.587 1017 2HB PHE 132 2HB PHE 132 -9.777 3.251 -0.291 1018 HD1 PHE 132 1HD PHE 132 -7.579 2.277 -0.499 1019 HD2 PHE 132 2HD PHE 132 -9.289 4.435 -3.729 1020 HE1 PHE 132 1HE PHE 132 -5.336 2.379 -1.619 1021 HE2 PHE 132 2HE PHE 132 -7.045 4.536 -4.849 1022 HZ PHE 132 HZ PHE 132 -5.094 3.507 -3.780 1023 H ARG 133 H ARG 133 -11.636 2.384 0.630 1024 HA ARG 133 HA ARG 133 -10.303 0.246 1.774 1025 1HB ARG 133 1HB ARG 133 -11.600 2.388 2.776 1026 2HB ARG 133 2HB ARG 133 -12.911 1.235 2.941 1027 1HG ARG 133 1HG ARG 133 -11.086 -0.314 4.059 1028 2HG ARG 133 2HG ARG 133 -10.169 1.168 4.239 1029 1HD ARG 133 1HD ARG 133 -11.421 1.777 6.033 1030 2HD ARG 133 2HD ARG 133 -12.892 1.682 5.084 1031 HE ARG 133 HE ARG 133 -11.806 -0.407 6.856 1032 1HH1 ARG 133 2HH2 ARG 133 -14.075 0.353 4.275 1033 2HH1 ARG 133 1HH2 ARG 133 -15.087 -1.018 4.588 1034 1HH2 ARG 133 2HH1 ARG 133 -13.140 -2.215 7.268 1035 2HH2 ARG 133 1HH1 ARG 133 -14.551 -2.489 6.301 1036 H LYS 134 H LYS 134 -13.535 0.602 0.268 1037 HA LYS 134 HA LYS 134 -14.596 -1.830 1.195 1038 1HB LYS 134 1HB LYS 134 -15.528 0.376 -0.185 1039 2HB LYS 134 2HB LYS 134 -15.578 -0.880 -1.405 1040 1HG LYS 134 1HG LYS 134 -17.664 -1.154 -0.363 1041 2HG LYS 134 2HG LYS 134 -16.694 -2.349 0.474 1042 1HD LYS 134 1HD LYS 134 -16.332 -0.819 2.365 1043 2HD LYS 134 2HD LYS 134 -17.116 0.493 1.508 1044 1HE LYS 134 1HE LYS 134 -19.014 -0.172 2.591 1045 2HE LYS 134 2HE LYS 134 -19.079 -1.457 1.402 1046 1HZ LYS 134 1HZ LYS 134 -18.026 -2.913 2.871 1047 2HZ LYS 134 2HZ LYS 134 -17.567 -1.729 3.898 1048 3HZ LYS 134 3HZ LYS 134 -19.142 -2.144 3.782 1049 H ALA 135 H ALA 135 -12.691 -0.890 -1.713 1050 HA ALA 135 HA ALA 135 -12.900 -3.393 -2.975 1051 1HB ALA 135 1HB ALA 135 -10.940 -1.080 -3.169 1052 2HB ALA 135 2HB ALA 135 -10.858 -2.510 -4.225 1053 3HB ALA 135 3HB ALA 135 -12.297 -1.462 -4.256 1054 H VAL 136 H VAL 136 -10.362 -1.906 -0.848 1055 HA VAL 136 HA VAL 136 -8.604 -4.031 -0.885 1056 HB VAL 136 HB VAL 136 -9.256 -1.979 1.233 1057 1HG1 VAL 136 1HG1 VAL 136 -7.789 -2.889 2.651 1058 2HG1 VAL 136 2HG1 VAL 136 -7.768 -4.331 1.607 1059 3HG1 VAL 136 3HG1 VAL 136 -6.559 -3.045 1.373 1060 1HG2 VAL 136 1HG2 VAL 136 -8.250 -1.507 -1.205 1061 2HG2 VAL 136 2HG2 VAL 136 -7.738 -0.597 0.235 1062 3HG2 VAL 136 3HG2 VAL 136 -6.739 -1.940 -0.369 1063 H THR 137 H THR 137 -11.142 -3.299 1.620 1064 HA THR 137 HA THR 137 -10.853 -5.616 3.075 1065 HB THR 137 HB THR 137 -13.202 -5.077 3.806 1066 HG1 THR 137 1HG THR 137 -13.010 -2.945 1.841 1067 1HG2 THR 137 1HG2 THR 137 -11.980 -3.498 4.981 1068 2HG2 THR 137 2HG2 THR 137 -11.067 -2.996 3.537 1069 3HG2 THR 137 3HG2 THR 137 -12.710 -2.369 3.814 1070 H ASP 138 H ASP 138 -12.978 -5.048 0.203 1071 HA ASP 138 HA ASP 138 -14.208 -7.459 0.200 1072 1HB ASP 138 1HB ASP 138 -13.587 -5.345 -1.752 1073 2HB ASP 138 2HB ASP 138 -13.670 -6.917 -2.520 1074 H LEU 139 H LEU 139 -10.959 -6.484 -1.023 1075 HA LEU 139 HA LEU 139 -10.414 -8.959 -2.293 1076 1HB LEU 139 1HB LEU 139 -9.208 -6.383 -1.999 1077 2HB LEU 139 2HB LEU 139 -8.021 -7.606 -1.590 1078 HG LEU 139 HG LEU 139 -8.374 -8.705 -3.761 1079 1HD1 LEU 139 1HD1 LEU 139 -10.054 -6.393 -4.684 1080 2HD1 LEU 139 2HD1 LEU 139 -9.872 -8.020 -5.384 1081 3HD1 LEU 139 3HD1 LEU 139 -10.810 -7.794 -3.888 1082 1HD2 LEU 139 1HD2 LEU 139 -7.646 -6.583 -5.179 1083 2HD2 LEU 139 2HD2 LEU 139 -7.507 -5.857 -3.560 1084 3HD2 LEU 139 3HD2 LEU 139 -6.575 -7.319 -3.962 1085 H LEU 140 H LEU 140 -9.552 -7.490 0.899 1086 HA LEU 140 HA LEU 140 -8.007 -9.653 1.763 1087 1HB LEU 140 1HB LEU 140 -9.243 -7.243 2.929 1088 2HB LEU 140 2HB LEU 140 -8.962 -8.554 4.058 1089 HG LEU 140 HG LEU 140 -6.578 -8.314 2.561 1090 1HD1 LEU 140 1HD1 LEU 140 -6.057 -5.863 3.229 1091 2HD1 LEU 140 2HD1 LEU 140 -6.961 -6.183 1.729 1092 3HD1 LEU 140 3HD1 LEU 140 -7.824 -5.651 3.192 1093 1HD2 LEU 140 1HD2 LEU 140 -7.058 -7.209 5.331 1094 2HD2 LEU 140 2HD2 LEU 140 -6.973 -8.952 4.984 1095 3HD2 LEU 140 3HD2 LEU 140 -5.568 -7.909 4.657 1096 H GLY 141 H GLY 141 -11.514 -9.030 1.708 1097 1HA GLY 141 1HA GLY 141 -12.231 -11.112 3.506 1098 2HA GLY 141 2HA GLY 141 -13.272 -10.277 2.371 1099 H ARG 142 H ARG 142 -12.118 -10.830 -0.116 1100 HA ARG 142 HA ARG 142 -13.124 -13.324 -0.621 1101 1HB ARG 142 1HB ARG 142 -12.780 -11.508 -2.323 1102 2HB ARG 142 2HB ARG 142 -11.048 -11.759 -2.237 1103 1HG ARG 142 1HG ARG 142 -11.150 -13.852 -3.314 1104 2HG ARG 142 2HG ARG 142 -12.812 -14.137 -2.838 1105 1HD ARG 142 1HD ARG 142 -13.545 -12.291 -4.399 1106 2HD ARG 142 2HD ARG 142 -11.881 -12.090 -4.910 1107 HE ARG 142 HE ARG 142 -12.096 -13.996 -6.243 1108 1HH1 ARG 142 2HH2 ARG 142 -14.619 -14.036 -3.792 1109 2HH1 ARG 142 1HH2 ARG 142 -15.411 -15.431 -4.447 1110 1HH2 ARG 142 2HH1 ARG 142 -13.140 -15.835 -7.108 1111 2HH2 ARG 142 1HH1 ARG 142 -14.564 -16.461 -6.346 1112 H ARG 143 H ARG 143 -9.760 -12.208 0.027 1113 HA ARG 143 HA ARG 143 -7.898 -13.250 0.380 1114 1HB ARG 143 1HB ARG 143 -9.955 -14.926 1.711 1115 2HB ARG 143 2HB ARG 143 -8.473 -15.800 1.381 1116 1HG ARG 143 1HG ARG 143 -7.166 -14.390 2.745 1117 2HG ARG 143 2HG ARG 143 -8.274 -13.039 2.596 1118 1HD ARG 143 1HD ARG 143 -9.624 -15.322 3.836 1119 2HD ARG 143 2HD ARG 143 -8.156 -14.937 4.712 1120 HE ARG 143 HE ARG 143 -10.560 -13.284 4.530 1121 1HH1 ARG 143 2HH2 ARG 143 -7.086 -13.230 5.092 1122 2HH1 ARG 143 1HH2 ARG 143 -7.126 -11.749 5.989 1123 1HH2 ARG 143 2HH1 ARG 143 -10.612 -11.330 5.714 1124 2HH2 ARG 143 1HH1 ARG 143 -9.144 -10.660 6.345 1125 H GLN 144 H GLN 144 -6.608 -15.501 -0.023 1126 HA GLN 144 HA GLN 144 -5.773 -16.796 -1.559 1127 1HB GLN 144 1HB GLN 144 -8.678 -17.531 -1.514 1128 2HB GLN 144 2HB GLN 144 -7.732 -18.185 -2.837 1129 1HG GLN 144 1HG GLN 144 -6.000 -18.779 -0.880 1130 2HG GLN 144 2HG GLN 144 -7.426 -18.661 0.131 1131 1HE2 GLN 144 1HE2 GLN 144 -7.239 -20.875 0.584 1132 2HE2 GLN 144 2HE2 GLN 144 -7.768 -22.094 -0.527 Start of MODEL 4 1 1H ASP 1 H ASP 1 -8.278 21.295 10.115 2 HA ASP 1 HA ASP 1 -6.279 20.809 9.349 3 1HB ASP 1 1HB ASP 1 -4.364 20.507 10.716 4 2HB ASP 1 2HB ASP 1 -5.393 21.564 11.664 5 H LEU 2 H LEU 2 -4.612 18.584 9.690 6 HA LEU 2 HA LEU 2 -6.410 16.443 9.082 7 1HB LEU 2 1HB LEU 2 -3.498 15.978 9.403 8 2HB LEU 2 2HB LEU 2 -4.610 15.392 8.182 9 HG LEU 2 HG LEU 2 -4.450 18.199 7.823 10 1HD1 LEU 2 1HD1 LEU 2 -2.012 18.477 7.402 11 2HD1 LEU 2 2HD1 LEU 2 -2.432 18.302 9.123 12 3HD1 LEU 2 3HD1 LEU 2 -1.730 16.928 8.233 13 1HD2 LEU 2 1HD2 LEU 2 -4.670 16.100 6.230 14 2HD2 LEU 2 2HD2 LEU 2 -4.008 17.647 5.650 15 3HD2 LEU 2 3HD2 LEU 2 -2.910 16.317 6.087 16 HA PRO 3 HA PRO 3 -6.243 14.287 12.831 17 1HB PRO 3 1HB PRO 3 -5.577 11.701 12.246 18 2HB PRO 3 2HB PRO 3 -7.177 12.363 11.977 19 1HG PRO 3 1HG PRO 3 -5.063 11.764 9.999 20 2HG PRO 3 2HG PRO 3 -6.777 12.012 9.732 21 1HD PRO 3 1HD PRO 3 -4.669 13.883 9.202 22 2HD PRO 3 2HD PRO 3 -6.390 14.172 9.045 23 HA PRO 4 HA PRO 4 -2.432 14.159 14.687 24 1HB PRO 4 1HB PRO 4 -2.883 12.712 16.961 25 2HB PRO 4 2HB PRO 4 -3.309 14.405 16.801 26 1HG PRO 4 1HG PRO 4 -5.077 12.036 16.753 27 2HG PRO 4 2HG PRO 4 -5.500 13.715 17.021 28 1HD PRO 4 1HD PRO 4 -5.896 12.209 14.612 29 2HD PRO 4 2HD PRO 4 -6.211 13.916 14.844 30 HA PRO 5 HA PRO 5 -0.422 10.641 13.387 31 1HB PRO 5 1HB PRO 5 2.140 11.272 14.097 32 2HB PRO 5 2HB PRO 5 1.388 11.839 12.619 33 1HG PRO 5 1HG PRO 5 1.936 13.333 15.110 34 2HG PRO 5 2HG PRO 5 1.589 13.957 13.510 35 1HD PRO 5 1HD PRO 5 -0.216 13.843 15.735 36 2HD PRO 5 2HD PRO 5 -0.595 14.359 14.104 37 H GLU 6 H GLU 6 -0.326 8.611 14.125 38 HA GLU 6 HA GLU 6 -0.159 8.449 17.003 39 1HB GLU 6 1HB GLU 6 -1.020 6.172 16.731 40 2HB GLU 6 2HB GLU 6 -2.010 7.288 15.812 41 1HG GLU 6 1HG GLU 6 0.101 6.468 14.062 42 2HG GLU 6 2HG GLU 6 -0.466 5.014 14.860 43 HA PRO 7 HA PRO 7 3.861 6.815 16.936 44 1HB PRO 7 1HB PRO 7 3.916 5.355 19.246 45 2HB PRO 7 2HB PRO 7 4.103 7.097 19.209 46 1HG PRO 7 1HG PRO 7 1.756 5.501 20.039 47 2HG PRO 7 2HG PRO 7 2.121 7.180 20.386 48 1HD PRO 7 1HD PRO 7 0.239 6.195 18.458 49 2HD PRO 7 2HD PRO 7 0.688 7.867 18.724 50 H TYR 8 H TYR 8 4.691 5.455 15.494 51 HA TYR 8 HA TYR 8 3.427 2.803 15.463 52 1HB TYR 8 1HB TYR 8 3.262 3.980 13.332 53 2HB TYR 8 2HB TYR 8 4.869 4.658 13.499 54 HD1 TYR 8 1HD TYR 8 6.273 3.892 11.825 55 HD2 TYR 8 2HD TYR 8 3.516 1.150 13.610 56 HE1 TYR 8 1HE TYR 8 7.208 2.009 10.395 57 HE2 TYR 8 2HE TYR 8 4.460 -0.723 12.173 58 HH TYR 8 HH TYR 8 5.905 -1.287 10.679 59 H VAL 9 H VAL 9 4.580 1.367 16.673 60 HA VAL 9 HA VAL 9 7.491 1.636 16.660 61 HB VAL 9 HB VAL 9 6.227 1.579 18.803 62 1HG1 VAL 9 1HG1 VAL 9 4.431 0.052 18.201 63 2HG1 VAL 9 2HG1 VAL 9 5.597 -1.270 17.957 64 3HG1 VAL 9 3HG1 VAL 9 5.339 -0.601 19.586 65 1HG2 VAL 9 1HG2 VAL 9 8.629 0.386 18.141 66 2HG2 VAL 9 2HG2 VAL 9 8.031 0.680 19.792 67 3HG2 VAL 9 3HG2 VAL 9 7.777 -0.904 19.023 68 H GLN 10 H GLN 10 8.827 0.098 15.755 69 HA GLN 10 HA GLN 10 7.985 -2.496 15.225 70 1HB GLN 10 1HB GLN 10 7.129 -0.591 13.261 71 2HB GLN 10 2HB GLN 10 8.418 -1.530 12.532 72 1HG GLN 10 1HG GLN 10 6.055 -2.796 13.993 73 2HG GLN 10 2HG GLN 10 6.065 -2.501 12.266 74 1HE2 GLN 10 1HE2 GLN 10 6.588 -4.747 14.574 75 2HE2 GLN 10 2HE2 GLN 10 7.672 -5.831 13.768 76 H THR 11 H THR 11 9.692 -3.675 13.798 77 HA THR 11 HA THR 11 12.269 -2.267 14.045 78 HB THR 11 HB THR 11 11.275 -4.788 15.218 79 HG1 THR 11 1HG THR 11 13.139 -4.213 16.529 80 1HG2 THR 11 1HG2 THR 11 13.487 -5.964 14.915 81 2HG2 THR 11 2HG2 THR 11 12.568 -5.864 13.394 82 3HG2 THR 11 3HG2 THR 11 13.929 -4.754 13.685 83 H THR 12 H THR 12 10.710 -5.141 12.461 84 HA THR 12 HA THR 12 11.546 -4.149 9.892 85 HB THR 12 HB THR 12 13.583 -5.338 11.009 86 HG1 THR 12 1HG THR 12 13.244 -4.975 8.677 87 1HG2 THR 12 1HG2 THR 12 12.486 -7.336 11.934 88 2HG2 THR 12 2HG2 THR 12 11.753 -7.706 10.355 89 3HG2 THR 12 3HG2 THR 12 13.514 -7.845 10.574 90 H LYS 13 H LYS 13 10.746 -5.556 8.104 91 HA LYS 13 HA LYS 13 8.468 -7.158 9.032 92 1HB LYS 13 1HB LYS 13 8.546 -5.036 6.882 93 2HB LYS 13 2HB LYS 13 7.310 -6.276 6.921 94 1HG LYS 13 1HG LYS 13 7.831 -4.822 9.498 95 2HG LYS 13 2HG LYS 13 7.063 -3.899 8.222 96 1HD LYS 13 1HD LYS 13 5.101 -4.830 8.891 97 2HD LYS 13 2HD LYS 13 5.661 -6.318 8.152 98 1HE LYS 13 1HE LYS 13 6.724 -5.796 10.896 99 2HE LYS 13 2HE LYS 13 4.995 -6.069 10.813 100 1HZ LYS 13 1HZ LYS 13 5.458 -8.199 10.644 101 2HZ LYS 13 2HZ LYS 13 6.150 -7.949 9.186 102 3HZ LYS 13 3HZ LYS 13 7.064 -7.928 10.539 103 H SER 14 H SER 14 7.611 -8.440 6.906 104 HA SER 14 HA SER 14 9.825 -9.256 5.281 105 1HB SER 14 1HB SER 14 8.426 -11.235 7.134 106 2HB SER 14 2HB SER 14 9.563 -11.675 5.874 107 HG SER 14 HG SER 14 11.122 -10.194 7.032 108 H TYR 15 H TYR 15 8.993 -9.427 3.234 109 HA TYR 15 HA TYR 15 6.126 -9.624 2.931 110 1HB TYR 15 1HB TYR 15 8.380 -9.608 0.841 111 2HB TYR 15 2HB TYR 15 6.736 -9.049 0.604 112 HD1 TYR 15 1HD TYR 15 6.003 -7.043 2.210 113 HD2 TYR 15 2HD TYR 15 10.046 -8.031 1.217 114 HE1 TYR 15 1HE TYR 15 6.732 -4.679 2.793 115 HE2 TYR 15 2HE TYR 15 10.761 -5.662 1.804 116 HH TYR 15 HH TYR 15 9.540 -3.797 3.557 117 HA PRO 16 HA PRO 16 6.100 -13.839 1.946 118 1HB PRO 16 1HB PRO 16 3.739 -14.023 0.582 119 2HB PRO 16 2HB PRO 16 3.834 -13.985 2.332 120 1HG PRO 16 1HG PRO 16 2.998 -11.843 0.474 121 2HG PRO 16 2HG PRO 16 2.704 -11.979 2.197 122 1HD PRO 16 1HD PRO 16 4.634 -10.290 0.914 123 2HD PRO 16 2HD PRO 16 4.419 -10.514 2.639 124 H SER 17 H SER 17 5.789 -11.513 -0.600 125 HA SER 17 HA SER 17 6.258 -13.443 -2.614 126 1HB SER 17 1HB SER 17 5.048 -11.199 -2.874 127 2HB SER 17 2HB SER 17 6.617 -10.424 -2.807 128 HG SER 17 HG SER 17 7.149 -12.072 -4.630 129 H LYS 18 H LYS 18 8.209 -11.604 -0.368 130 HA LYS 18 HA LYS 18 10.598 -12.664 -1.657 131 1HB LYS 18 1HB LYS 18 9.881 -9.988 -1.945 132 2HB LYS 18 2HB LYS 18 11.030 -9.965 -0.623 133 1HG LYS 18 1HG LYS 18 12.737 -11.044 -1.946 134 2HG LYS 18 2HG LYS 18 11.591 -11.505 -3.189 135 1HD LYS 18 1HD LYS 18 12.147 -8.587 -2.509 136 2HD LYS 18 2HD LYS 18 13.104 -9.463 -3.687 137 1HE LYS 18 1HE LYS 18 10.825 -10.072 -4.814 138 2HE LYS 18 2HE LYS 18 10.132 -8.818 -3.807 139 1HZ LYS 18 1HZ LYS 18 12.487 -8.277 -5.452 140 2HZ LYS 18 2HZ LYS 18 10.982 -8.179 -6.080 141 3HZ LYS 18 3HZ LYS 18 11.412 -7.214 -4.834 142 H LEU 19 H LEU 19 9.464 -13.984 0.377 143 HA LEU 19 HA LEU 19 10.521 -12.928 2.864 144 1HB LEU 19 1HB LEU 19 8.252 -14.306 2.232 145 2HB LEU 19 2HB LEU 19 9.284 -15.597 2.812 146 HG LEU 19 HG LEU 19 9.251 -13.203 4.538 147 1HD1 LEU 19 1HD1 LEU 19 6.735 -14.846 4.148 148 2HD1 LEU 19 2HD1 LEU 19 7.035 -13.749 5.517 149 3HD1 LEU 19 3HD1 LEU 19 6.941 -13.102 3.861 150 1HD2 LEU 19 1HD2 LEU 19 9.995 -14.707 5.986 151 2HD2 LEU 19 2HD2 LEU 19 8.491 -15.646 5.829 152 3HD2 LEU 19 3HD2 LEU 19 9.856 -15.962 4.731 153 H ALA 20 H ALA 20 12.089 -14.031 0.365 154 HA ALA 20 HA ALA 20 14.078 -14.988 0.129 155 1HB ALA 20 1HB ALA 20 14.623 -16.083 2.739 156 2HB ALA 20 2HB ALA 20 15.394 -14.701 1.924 157 3HB ALA 20 3HB ALA 20 13.944 -14.448 2.924 158 H ARG 21 H ARG 21 11.293 -16.362 0.250 159 HA ARG 21 HA ARG 21 11.753 -18.971 1.090 160 1HB ARG 21 1HB ARG 21 9.509 -17.734 0.558 161 2HB ARG 21 2HB ARG 21 9.801 -18.172 -1.114 162 1HG ARG 21 1HG ARG 21 9.781 -20.549 -0.584 163 2HG ARG 21 2HG ARG 21 9.800 -20.229 1.138 164 1HD ARG 21 1HD ARG 21 7.551 -18.813 0.380 165 2HD ARG 21 2HD ARG 21 7.518 -20.125 -0.781 166 HE ARG 21 HE ARG 21 8.042 -21.124 1.892 167 1HH1 ARG 21 2HH2 ARG 21 5.468 -19.973 -0.214 168 2HH1 ARG 21 1HH2 ARG 21 4.225 -20.853 0.612 169 1HH2 ARG 21 2HH1 ARG 21 6.403 -22.284 2.982 170 2HH2 ARG 21 1HH1 ARG 21 4.761 -22.175 2.441 171 H ASN 22 H ASN 22 11.608 -17.502 -2.245 172 HA ASN 22 HA ASN 22 13.644 -19.364 -3.052 173 1HB ASN 22 1HB ASN 22 11.323 -20.414 -3.512 174 2HB ASN 22 2HB ASN 22 11.052 -19.117 -4.658 175 1HD2 ASN 22 1HD2 ASN 22 11.639 -19.419 -6.667 176 2HD2 ASN 22 2HD2 ASN 22 12.764 -20.592 -7.265 177 H GLU 23 H GLU 23 15.093 -17.723 -3.692 178 HA GLU 23 HA GLU 23 14.095 -15.935 -5.751 179 1HB GLU 23 1HB GLU 23 14.873 -15.147 -3.084 180 2HB GLU 23 2HB GLU 23 16.053 -14.506 -4.210 181 1HG GLU 23 1HG GLU 23 13.025 -14.135 -4.387 182 2HG GLU 23 2HG GLU 23 14.183 -12.911 -3.903 183 H SER 24 H SER 24 17.092 -16.864 -3.898 184 HA SER 24 HA SER 24 19.052 -17.525 -4.555 185 1HB SER 24 1HB SER 24 17.366 -18.760 -6.385 186 2HB SER 24 2HB SER 24 18.499 -17.936 -7.439 187 HG SER 24 HG SER 24 20.035 -19.019 -5.564 188 H ARG 25 H ARG 25 20.702 -16.055 -4.724 189 HA ARG 25 HA ARG 25 20.310 -13.627 -5.994 190 1HB ARG 25 1HB ARG 25 22.104 -14.617 -4.158 191 2HB ARG 25 2HB ARG 25 23.132 -14.548 -5.576 192 1HG ARG 25 1HG ARG 25 22.388 -12.131 -5.909 193 2HG ARG 25 2HG ARG 25 21.536 -12.233 -4.381 194 1HD ARG 25 1HD ARG 25 24.450 -13.034 -4.445 195 2HD ARG 25 2HD ARG 25 24.058 -11.327 -4.506 196 HE ARG 25 HE ARG 25 23.733 -13.108 -2.211 197 1HH1 ARG 25 2HH2 ARG 25 22.590 -10.136 -3.711 198 2HH1 ARG 25 1HH2 ARG 25 22.023 -9.453 -2.224 199 1HH2 ARG 25 2HH1 ARG 25 22.985 -12.207 -0.249 200 2HH2 ARG 25 1HH1 ARG 25 22.249 -10.638 -0.241 201 H GLY 26 H GLY 26 21.888 -12.724 -7.743 202 1HA GLY 26 1HA GLY 26 23.298 -14.352 -9.499 203 2HA GLY 26 2HA GLY 26 21.648 -14.292 -10.088 204 H SER 27 H SER 27 24.613 -12.446 -9.481 205 HA SER 27 HA SER 27 24.161 -10.713 -11.542 206 1HB SER 27 1HB SER 27 22.861 -9.882 -9.028 207 2HB SER 27 2HB SER 27 23.979 -8.675 -9.629 208 HG SER 27 HG SER 27 21.569 -9.651 -10.785 209 H GLY 28 H GLY 28 25.971 -9.180 -11.779 210 1HA GLY 28 1HA GLY 28 27.871 -8.657 -9.803 211 2HA GLY 28 2HA GLY 28 28.375 -10.114 -10.636 212 H SER 29 H SER 29 30.227 -9.031 -11.556 213 HA SER 29 HA SER 29 30.271 -6.673 -12.824 214 1HB SER 29 1HB SER 29 32.065 -8.656 -12.470 215 2HB SER 29 2HB SER 29 31.708 -8.953 -14.160 216 HG SER 29 HG SER 29 33.010 -7.330 -14.625 217 H GLY 30 H GLY 30 29.295 -5.793 -14.619 218 1HA GLY 30 1HA GLY 30 28.947 -6.349 -17.061 219 2HA GLY 30 2HA GLY 30 27.954 -7.666 -16.469 220 H SER 31 H SER 31 26.314 -6.835 -14.590 221 HA SER 31 HA SER 31 24.436 -5.790 -14.261 222 1HB SER 31 1HB SER 31 26.494 -3.710 -14.427 223 2HB SER 31 2HB SER 31 24.923 -3.071 -14.864 224 HG SER 31 HG SER 31 24.210 -3.307 -12.837 225 H LEU 32 H LEU 32 23.154 -6.673 -15.956 226 HA LEU 32 HA LEU 32 23.281 -5.634 -18.591 227 1HB LEU 32 1HB LEU 32 21.311 -7.422 -17.167 228 2HB LEU 32 2HB LEU 32 21.180 -6.997 -18.863 229 HG LEU 32 HG LEU 32 23.820 -7.941 -18.517 230 1HD1 LEU 32 1HD1 LEU 32 23.516 -9.056 -16.520 231 2HD1 LEU 32 2HD1 LEU 32 21.821 -9.464 -16.876 232 3HD1 LEU 32 3HD1 LEU 32 23.138 -10.326 -17.708 233 1HD2 LEU 32 1HD2 LEU 32 21.705 -9.741 -19.602 234 2HD2 LEU 32 2HD2 LEU 32 21.936 -8.156 -20.379 235 3HD2 LEU 32 3HD2 LEU 32 23.296 -9.300 -20.267 236 H PHE 33 H PHE 33 21.030 -4.891 -19.622 237 HA PHE 33 HA PHE 33 20.570 -2.342 -18.728 238 1HB PHE 33 1HB PHE 33 19.943 -3.769 -20.914 239 2HB PHE 33 2HB PHE 33 18.449 -4.096 -20.058 240 HD1 PHE 33 1HD PHE 33 16.698 -2.534 -20.073 241 HD2 PHE 33 2HD PHE 33 20.564 -1.331 -21.345 242 HE1 PHE 33 1HE PHE 33 15.751 -0.360 -20.896 243 HE2 PHE 33 2HE PHE 33 19.617 0.843 -22.168 244 HZ PHE 33 HZ PHE 33 17.222 1.302 -21.934 245 H SER 34 H SER 34 18.501 -5.289 -18.217 246 HA SER 34 HA SER 34 17.883 -4.600 -15.619 247 1HB SER 34 1HB SER 34 16.376 -3.088 -17.516 248 2HB SER 34 2HB SER 34 15.276 -4.285 -16.862 249 HG SER 34 HG SER 34 16.065 -3.568 -14.679 250 H PHE 35 H PHE 35 16.188 -5.866 -18.588 251 HA PHE 35 HA PHE 35 15.126 -7.772 -18.961 252 1HB PHE 35 1HB PHE 35 17.815 -8.207 -18.324 253 2HB PHE 35 2HB PHE 35 17.028 -9.300 -17.202 254 HD1 PHE 35 1HD PHE 35 15.862 -11.265 -17.990 255 HD2 PHE 35 2HD PHE 35 17.645 -8.570 -20.739 256 HE1 PHE 35 1HE PHE 35 15.632 -12.974 -19.815 257 HE2 PHE 35 2HE PHE 35 17.415 -10.278 -22.564 258 HZ PHE 35 HZ PHE 35 16.411 -12.460 -22.080 259 H LEU 36 H LEU 36 13.142 -7.622 -17.882 260 HA LEU 36 HA LEU 36 12.814 -9.409 -15.698 261 1HB LEU 36 1HB LEU 36 12.053 -7.858 -14.034 262 2HB LEU 36 2HB LEU 36 13.715 -7.514 -14.467 263 HG LEU 36 HG LEU 36 12.099 -5.881 -16.132 264 1HD1 LEU 36 1HD1 LEU 36 11.334 -5.345 -13.278 265 2HD1 LEU 36 2HD1 LEU 36 10.578 -4.776 -14.786 266 3HD1 LEU 36 3HD1 LEU 36 10.376 -6.468 -14.273 267 1HD2 LEU 36 1HD2 LEU 36 14.436 -5.628 -14.891 268 2HD2 LEU 36 2HD2 LEU 36 13.477 -4.220 -15.408 269 3HD2 LEU 36 3HD2 LEU 36 13.427 -4.755 -13.711 270 H GLY 37 H GLY 37 10.552 -9.855 -15.300 271 1HA GLY 37 1HA GLY 37 8.710 -8.565 -17.209 272 2HA GLY 37 2HA GLY 37 8.861 -10.310 -17.157 273 H LYS 38 H LYS 38 7.131 -7.662 -15.960 274 HA LYS 38 HA LYS 38 6.003 -9.347 -13.859 275 1HB LYS 38 1HB LYS 38 7.321 -6.702 -13.506 276 2HB LYS 38 2HB LYS 38 5.813 -6.945 -12.648 277 1HG LYS 38 1HG LYS 38 6.673 -8.661 -11.317 278 2HG LYS 38 2HG LYS 38 7.816 -9.187 -12.537 279 1HD LYS 38 1HD LYS 38 8.470 -6.468 -11.757 280 2HD LYS 38 2HD LYS 38 8.292 -7.440 -10.311 281 1HE LYS 38 1HE LYS 38 9.911 -8.502 -12.648 282 2HE LYS 38 2HE LYS 38 10.632 -7.350 -11.542 283 1HZ LYS 38 1HZ LYS 38 9.250 -9.612 -10.382 284 2HZ LYS 38 2HZ LYS 38 10.690 -9.902 -11.095 285 3HZ LYS 38 3HZ LYS 38 10.589 -8.835 -9.863 286 H LYS 39 H LYS 39 3.823 -9.482 -14.034 287 HA LYS 39 HA LYS 39 2.473 -7.288 -15.428 288 1HB LYS 39 1HB LYS 39 1.138 -8.878 -16.700 289 2HB LYS 39 2HB LYS 39 2.843 -9.070 -17.059 290 1HG LYS 39 1HG LYS 39 2.729 -11.250 -16.458 291 2HG LYS 39 2HG LYS 39 2.287 -10.781 -14.829 292 1HD LYS 39 1HD LYS 39 0.254 -11.721 -15.195 293 2HD LYS 39 2HD LYS 39 -0.087 -10.403 -16.298 294 1HE LYS 39 1HE LYS 39 -0.254 -11.977 -17.934 295 2HE LYS 39 2HE LYS 39 1.492 -12.107 -17.858 296 1HZ LYS 39 1HZ LYS 39 1.077 -13.735 -16.005 297 2HZ LYS 39 2HZ LYS 39 -0.486 -13.764 -16.478 298 3HZ LYS 39 3HZ LYS 39 0.689 -14.236 -17.511 299 H CYS 40 H CYS 40 1.445 -6.370 -13.694 300 HA CYS 40 HA CYS 40 -0.099 -8.223 -12.029 301 1HB CYS 40 1HB CYS 40 -0.031 -6.303 -10.333 302 2HB CYS 40 2HB CYS 40 1.439 -7.226 -10.567 303 HG CYS 40 HG CYS 40 2.656 -5.169 -10.690 304 H VAL 41 H VAL 41 -2.334 -7.864 -11.919 305 HA VAL 41 HA VAL 41 -3.408 -6.041 -13.852 306 HB VAL 41 HB VAL 41 -5.572 -6.989 -13.037 307 1HG1 VAL 41 1HG1 VAL 41 -3.964 -9.408 -13.581 308 2HG1 VAL 41 2HG1 VAL 41 -5.342 -8.718 -14.470 309 3HG1 VAL 41 3HG1 VAL 41 -3.707 -8.063 -14.719 310 1HG2 VAL 41 1HG2 VAL 41 -3.979 -7.778 -10.819 311 2HG2 VAL 41 2HG2 VAL 41 -5.715 -8.066 -11.092 312 3HG2 VAL 41 3HG2 VAL 41 -4.518 -9.264 -11.639 313 H THR 42 H THR 42 -4.958 -4.330 -13.370 314 HA THR 42 HA THR 42 -4.412 -3.128 -10.740 315 HB THR 42 HB THR 42 -5.154 -1.915 -13.455 316 HG1 THR 42 1HG THR 42 -2.938 -1.697 -13.514 317 1HG2 THR 42 1HG2 THR 42 -4.896 0.246 -12.438 318 2HG2 THR 42 2HG2 THR 42 -5.947 -0.645 -11.309 319 3HG2 THR 42 3HG2 THR 42 -4.215 -0.451 -10.949 320 H MET 43 H MET 43 -6.014 -2.778 -9.311 321 HA MET 43 HA MET 43 -8.583 -3.804 -10.054 322 1HB MET 43 1HB MET 43 -7.131 -2.992 -7.537 323 2HB MET 43 2HB MET 43 -8.880 -2.896 -7.479 324 1HG MET 43 1HG MET 43 -8.397 -5.112 -6.744 325 2HG MET 43 2HG MET 43 -8.899 -5.318 -8.409 326 1HE MET 43 1HE MET 43 -6.106 -5.203 -5.858 327 2HE MET 43 2HE MET 43 -4.615 -5.548 -6.766 328 3HE MET 43 3HE MET 43 -5.403 -3.959 -6.920 329 H SER 44 H SER 44 -7.535 -0.785 -8.302 330 HA SER 44 HA SER 44 -9.326 0.698 -10.013 331 1HB SER 44 1HB SER 44 -10.442 -0.101 -7.755 332 2HB SER 44 2HB SER 44 -9.476 1.166 -7.026 333 HG SER 44 HG SER 44 -10.907 1.917 -9.348 334 H SER 45 H SER 45 -8.977 3.138 -9.710 335 HA SER 45 HA SER 45 -6.334 3.643 -8.598 336 1HB SER 45 1HB SER 45 -5.729 5.013 -10.512 337 2HB SER 45 2HB SER 45 -6.207 3.431 -11.094 338 HG SER 45 HG SER 45 -8.459 4.895 -11.027 339 H ALA 46 H ALA 46 -6.497 5.207 -7.037 340 HA ALA 46 HA ALA 46 -8.560 7.263 -7.428 341 1HB ALA 46 1HB ALA 46 -7.809 6.497 -4.651 342 2HB ALA 46 2HB ALA 46 -9.395 6.935 -5.329 343 3HB ALA 46 3HB ALA 46 -8.749 5.293 -5.565 344 H VAL 47 H VAL 47 -7.905 9.378 -7.059 345 HA VAL 47 HA VAL 47 -5.071 9.774 -6.921 346 HB VAL 47 HB VAL 47 -7.460 11.606 -7.139 347 1HG1 VAL 47 1HG1 VAL 47 -5.612 12.732 -5.920 348 2HG1 VAL 47 2HG1 VAL 47 -4.530 12.387 -7.290 349 3HG1 VAL 47 3HG1 VAL 47 -5.935 13.457 -7.513 350 1HG2 VAL 47 1HG2 VAL 47 -7.170 11.551 -9.385 351 2HG2 VAL 47 2HG2 VAL 47 -5.396 11.465 -9.264 352 3HG2 VAL 47 3HG2 VAL 47 -6.377 9.997 -9.036 353 H VAL 48 H VAL 48 -3.887 10.024 -5.101 354 HA VAL 48 HA VAL 48 -5.123 11.299 -2.813 355 HB VAL 48 HB VAL 48 -5.094 9.555 -1.389 356 1HG1 VAL 48 1HG1 VAL 48 -5.874 7.498 -2.408 357 2HG1 VAL 48 2HG1 VAL 48 -6.544 8.887 -3.297 358 3HG1 VAL 48 3HG1 VAL 48 -5.178 7.969 -3.978 359 1HG2 VAL 48 1HG2 VAL 48 -2.637 8.718 -2.876 360 2HG2 VAL 48 2HG2 VAL 48 -2.899 8.948 -1.130 361 3HG2 VAL 48 3HG2 VAL 48 -3.514 7.485 -1.937 362 H GLN 49 H GLN 49 -3.381 11.668 -1.060 363 HA GLN 49 HA GLN 49 -0.882 12.175 -2.476 364 1HB GLN 49 1HB GLN 49 -1.648 13.642 0.048 365 2HB GLN 49 2HB GLN 49 -0.623 14.175 -1.270 366 1HG GLN 49 1HG GLN 49 -2.746 14.124 -2.753 367 2HG GLN 49 2HG GLN 49 -3.661 13.932 -1.271 368 1HE2 GLN 49 1HE2 GLN 49 -2.615 16.101 -3.459 369 2HE2 GLN 49 2HE2 GLN 49 -2.577 17.557 -2.522 370 H LEU 50 H LEU 50 1.103 11.582 -1.498 371 HA LEU 50 HA LEU 50 0.797 9.630 0.631 372 1HB LEU 50 1HB LEU 50 2.102 9.379 -1.613 373 2HB LEU 50 2HB LEU 50 3.358 10.278 -0.785 374 HG LEU 50 HG LEU 50 3.623 7.792 -0.736 375 1HD1 LEU 50 1HD1 LEU 50 4.943 8.780 0.853 376 2HD1 LEU 50 2HD1 LEU 50 3.566 9.501 1.719 377 3HD1 LEU 50 3HD1 LEU 50 3.911 7.762 1.885 378 1HD2 LEU 50 1HD2 LEU 50 1.636 7.501 1.439 379 2HD2 LEU 50 2HD2 LEU 50 0.976 7.666 -0.206 380 3HD2 LEU 50 3HD2 LEU 50 2.130 6.362 0.163 381 H TYR 51 H TYR 51 1.244 10.052 2.728 382 HA TYR 51 HA TYR 51 3.047 12.291 3.295 383 1HB TYR 51 1HB TYR 51 0.157 11.733 4.106 384 2HB TYR 51 2HB TYR 51 1.187 12.544 5.268 385 HD1 TYR 51 1HD TYR 51 0.156 12.806 1.669 386 HD2 TYR 51 2HD TYR 51 1.295 14.869 5.240 387 HE1 TYR 51 1HE TYR 51 -0.312 15.035 0.539 388 HE2 TYR 51 2HE TYR 51 0.822 17.091 4.097 389 HH TYR 51 HH TYR 51 -0.985 17.560 1.748 390 H ALA 52 H ALA 52 4.151 12.137 5.330 391 HA ALA 52 HA ALA 52 3.843 9.520 6.631 392 1HB ALA 52 1HB ALA 52 6.432 11.004 6.025 393 2HB ALA 52 2HB ALA 52 6.287 9.446 6.873 394 3HB ALA 52 3HB ALA 52 5.838 9.569 5.155 395 H ALA 53 H ALA 53 3.879 9.538 8.883 396 HA ALA 53 HA ALA 53 3.562 12.151 10.067 397 1HB ALA 53 1HB ALA 53 3.263 9.294 11.058 398 2HB ALA 53 2HB ALA 53 3.044 10.715 12.107 399 3HB ALA 53 3HB ALA 53 1.976 10.471 10.704 400 H ASP 54 H ASP 54 5.603 13.144 10.073 401 HA ASP 54 HA ASP 54 7.360 12.071 12.066 402 1HB ASP 54 1HB ASP 54 7.925 11.913 9.190 403 2HB ASP 54 2HB ASP 54 9.133 12.887 10.004 404 H ARG 55 H ARG 55 9.209 13.782 12.468 405 HA ARG 55 HA ARG 55 9.971 15.830 12.589 406 1HB ARG 55 1HB ARG 55 8.705 16.063 10.176 407 2HB ARG 55 2HB ARG 55 7.729 17.180 11.109 408 1HG ARG 55 1HG ARG 55 10.365 17.816 11.865 409 2HG ARG 55 2HG ARG 55 10.501 17.473 10.153 410 1HD ARG 55 1HD ARG 55 9.162 19.276 9.533 411 2HD ARG 55 2HD ARG 55 8.172 19.181 10.977 412 HE ARG 55 HE ARG 55 10.538 20.798 10.639 413 1HH1 ARG 55 2HH2 ARG 55 8.819 18.891 13.046 414 2HH1 ARG 55 1HH2 ARG 55 9.440 19.792 14.388 415 1HH2 ARG 55 2HH1 ARG 55 11.357 21.987 12.410 416 2HH2 ARG 55 1HH1 ARG 55 10.893 21.564 14.025 417 H ASN 56 H ASN 56 8.786 14.966 14.747 418 HA ASN 56 HA ASN 56 7.604 15.385 16.520 419 1HB ASN 56 1HB ASN 56 8.444 18.031 15.497 420 2HB ASN 56 2HB ASN 56 7.007 18.146 16.494 421 1HD2 ASN 56 1HD2 ASN 56 7.159 18.027 18.628 422 2HD2 ASN 56 2HD2 ASN 56 8.589 17.660 19.534 423 H CYS 57 H CYS 57 5.723 14.215 15.478 424 HA CYS 57 HA CYS 57 3.695 14.052 14.581 425 1HB CYS 57 1HB CYS 57 1.949 15.282 15.898 426 2HB CYS 57 2HB CYS 57 3.101 14.390 16.871 427 HG CYS 57 HG CYS 57 4.104 16.193 18.068 428 H MET 58 H MET 58 4.094 14.784 12.400 429 HA MET 58 HA MET 58 2.555 16.965 11.642 430 1HB MET 58 1HB MET 58 5.279 17.592 12.420 431 2HB MET 58 2HB MET 58 5.172 17.787 10.682 432 1HG MET 58 1HG MET 58 2.931 18.945 12.327 433 2HG MET 58 2HG MET 58 4.480 19.761 12.405 434 1HE MET 58 1HE MET 58 5.411 21.320 10.457 435 2HE MET 58 2HE MET 58 5.915 19.676 9.995 436 3HE MET 58 3HE MET 58 5.218 20.769 8.775 437 H TRP 59 H TRP 59 1.708 15.513 10.112 438 HA TRP 59 HA TRP 59 2.945 13.670 8.614 439 1HB TRP 59 1HB TRP 59 0.898 15.539 7.429 440 2HB TRP 59 2HB TRP 59 1.181 13.853 7.042 441 HD1 TRP 59 HD TRP 59 -0.634 16.045 9.595 442 HE1 TRP 59 1HE TRP 59 -2.208 14.620 11.162 443 HE3 TRP 59 3HE TRP 59 1.058 11.507 8.046 444 HZ2 TRP 59 2HZ TRP 59 -2.561 11.817 11.568 445 HZ3 TRP 59 3HZ TRP 59 0.046 9.476 9.079 446 HH2 TRP 59 HH TRP 59 -1.704 9.580 10.782 447 H SER 60 H SER 60 3.812 13.674 6.365 448 HA SER 60 HA SER 60 4.800 16.253 5.511 449 1HB SER 60 1HB SER 60 6.486 14.802 7.010 450 2HB SER 60 2HB SER 60 6.752 13.956 5.499 451 HG SER 60 HG SER 60 7.989 16.125 6.209 452 H LYS 61 H LYS 61 4.113 16.415 3.410 453 HA LYS 61 HA LYS 61 3.155 14.266 1.947 454 1HB LYS 61 1HB LYS 61 3.143 15.840 0.056 455 2HB LYS 61 2HB LYS 61 2.477 16.548 1.514 456 1HG LYS 61 1HG LYS 61 3.936 18.264 1.222 457 2HG LYS 61 2HG LYS 61 5.206 17.160 1.708 458 1HD LYS 61 1HD LYS 61 5.801 16.643 -0.537 459 2HD LYS 61 2HD LYS 61 4.262 17.189 -1.174 460 1HE LYS 61 1HE LYS 61 5.275 19.487 0.077 461 2HE LYS 61 2HE LYS 61 6.711 18.743 -0.600 462 1HZ LYS 61 1HZ LYS 61 5.092 20.264 -1.992 463 2HZ LYS 61 2HZ LYS 61 5.979 19.074 -2.676 464 3HZ LYS 61 3HZ LYS 61 4.405 18.820 -2.323 465 H LYS 62 H LYS 62 4.056 12.770 0.584 466 HA LYS 62 HA LYS 62 6.964 12.754 0.514 467 1HB LYS 62 1HB LYS 62 4.926 10.773 0.767 468 2HB LYS 62 2HB LYS 62 5.782 10.457 -0.729 469 1HG LYS 62 1HG LYS 62 7.362 11.098 1.776 470 2HG LYS 62 2HG LYS 62 6.704 9.487 1.564 471 1HD LYS 62 1HD LYS 62 7.813 9.689 -0.862 472 2HD LYS 62 2HD LYS 62 8.799 10.913 -0.087 473 1HE LYS 62 1HE LYS 62 10.125 9.175 0.575 474 2HE LYS 62 2HE LYS 62 8.900 8.879 1.792 475 1HZ LYS 62 1HZ LYS 62 7.807 7.405 0.220 476 2HZ LYS 62 2HZ LYS 62 8.987 7.656 -0.879 477 3HZ LYS 62 3HZ LYS 62 9.332 6.911 0.533 478 H CYS 63 H CYS 63 4.080 12.842 -1.637 479 HA CYS 63 HA CYS 63 5.476 14.293 -3.579 480 1HB CYS 63 1HB CYS 63 5.745 11.411 -3.808 481 2HB CYS 63 2HB CYS 63 4.884 12.058 -5.192 482 HG CYS 63 HG CYS 63 6.598 14.035 -5.646 483 H SER 64 H SER 64 2.985 11.626 -3.481 484 HA SER 64 HA SER 64 0.778 11.804 -3.502 485 1HB SER 64 1HB SER 64 0.767 14.662 -4.482 486 2HB SER 64 2HB SER 64 -0.416 13.836 -3.487 487 HG SER 64 HG SER 64 1.437 13.729 -1.837 488 H GLY 65 H GLY 65 -0.963 11.972 -5.285 489 1HA GLY 65 1HA GLY 65 -0.855 12.742 -7.794 490 2HA GLY 65 2HA GLY 65 0.329 11.452 -7.858 491 H VAL 66 H VAL 66 -1.006 10.181 -9.282 492 HA VAL 66 HA VAL 66 -3.586 9.350 -8.241 493 HB VAL 66 HB VAL 66 -2.293 8.400 -10.781 494 1HG1 VAL 66 1HG1 VAL 66 -4.594 7.629 -9.710 495 2HG1 VAL 66 2HG1 VAL 66 -5.184 9.123 -10.478 496 3HG1 VAL 66 3HG1 VAL 66 -4.418 7.857 -11.467 497 1HG2 VAL 66 1HG2 VAL 66 -2.102 10.508 -11.511 498 2HG2 VAL 66 2HG2 VAL 66 -3.880 10.564 -11.515 499 3HG2 VAL 66 3HG2 VAL 66 -2.976 11.157 -10.102 500 H ALA 67 H ALA 67 -3.805 7.588 -6.969 501 HA ALA 67 HA ALA 67 -1.638 5.605 -7.087 502 1HB ALA 67 1HB ALA 67 -2.228 7.070 -4.948 503 2HB ALA 67 2HB ALA 67 -3.515 5.856 -4.752 504 3HB ALA 67 3HB ALA 67 -1.810 5.348 -4.791 505 H CYS 68 H CYS 68 -2.199 3.377 -7.157 506 HA CYS 68 HA CYS 68 -5.027 2.772 -7.359 507 1HB CYS 68 1HB CYS 68 -4.792 1.592 -9.486 508 2HB CYS 68 2HB CYS 68 -4.413 3.294 -9.672 509 HG CYS 68 HG CYS 68 -1.847 1.755 -8.665 510 H LEU 69 H LEU 69 -5.344 0.328 -7.288 511 HA LEU 69 HA LEU 69 -3.129 -0.868 -5.783 512 1HB LEU 69 1HB LEU 69 -5.781 -0.515 -5.105 513 2HB LEU 69 2HB LEU 69 -5.737 -2.180 -5.648 514 HG LEU 69 HG LEU 69 -3.492 -1.727 -3.915 515 1HD1 LEU 69 1HD1 LEU 69 -5.419 0.069 -3.225 516 2HD1 LEU 69 2HD1 LEU 69 -5.889 -1.338 -2.241 517 3HD1 LEU 69 3HD1 LEU 69 -4.251 -0.656 -2.094 518 1HD2 LEU 69 1HD2 LEU 69 -4.925 -3.428 -2.519 519 2HD2 LEU 69 2HD2 LEU 69 -5.913 -3.490 -3.997 520 3HD2 LEU 69 3HD2 LEU 69 -4.185 -3.912 -4.063 521 H VAL 70 H VAL 70 -2.075 -2.622 -6.589 522 HA VAL 70 HA VAL 70 -3.268 -3.839 -8.986 523 HB VAL 70 HB VAL 70 -0.774 -4.383 -9.442 524 1HG1 VAL 70 1HG1 VAL 70 -0.557 -2.412 -10.788 525 2HG1 VAL 70 2HG1 VAL 70 -2.283 -2.842 -10.742 526 3HG1 VAL 70 3HG1 VAL 70 -1.673 -1.502 -9.742 527 1HG2 VAL 70 1HG2 VAL 70 0.846 -2.826 -8.573 528 2HG2 VAL 70 2HG2 VAL 70 -0.416 -1.921 -7.704 529 3HG2 VAL 70 3HG2 VAL 70 -0.001 -3.577 -7.199 530 H LYS 71 H LYS 71 -2.873 -6.158 -9.268 531 HA LYS 71 HA LYS 71 -2.300 -7.471 -6.703 532 1HB LYS 71 1HB LYS 71 -4.650 -7.633 -7.027 533 2HB LYS 71 2HB LYS 71 -4.476 -8.034 -8.723 534 1HG LYS 71 1HG LYS 71 -3.069 -9.859 -6.809 535 2HG LYS 71 2HG LYS 71 -4.821 -9.903 -6.751 536 1HD LYS 71 1HD LYS 71 -4.030 -9.879 -9.529 537 2HD LYS 71 2HD LYS 71 -3.070 -11.095 -8.708 538 1HE LYS 71 1HE LYS 71 -5.641 -11.487 -7.646 539 2HE LYS 71 2HE LYS 71 -5.959 -11.093 -9.325 540 1HZ LYS 71 1HZ LYS 71 -3.893 -12.787 -9.495 541 2HZ LYS 71 2HZ LYS 71 -4.714 -13.405 -8.226 542 3HZ LYS 71 3HZ LYS 71 -5.460 -13.210 -9.666 543 H ASP 72 H ASP 72 -0.952 -9.276 -6.752 544 HA ASP 72 HA ASP 72 0.380 -9.615 -9.305 545 1HB ASP 72 1HB ASP 72 1.147 -9.832 -6.436 546 2HB ASP 72 2HB ASP 72 1.817 -11.096 -7.448 547 H ASN 73 H ASN 73 -0.123 -11.474 -10.476 548 HA ASN 73 HA ASN 73 -1.745 -13.450 -9.234 549 1HB ASN 73 1HB ASN 73 -0.518 -13.910 -11.950 550 2HB ASN 73 2HB ASN 73 -2.164 -14.198 -11.420 551 1HD2 ASN 73 1HD2 ASN 73 -0.223 -12.296 -13.270 552 2HD2 ASN 73 2HD2 ASN 73 -1.198 -10.874 -13.432 553 HA PRO 74 HA PRO 74 2.326 -15.818 -10.103 554 1HB PRO 74 1HB PRO 74 4.590 -14.399 -10.683 555 2HB PRO 74 2HB PRO 74 3.566 -15.116 -11.912 556 1HG PRO 74 1HG PRO 74 3.806 -12.276 -11.126 557 2HG PRO 74 2HG PRO 74 3.135 -12.956 -12.596 558 1HD PRO 74 1HD PRO 74 1.668 -11.906 -10.366 559 2HD PRO 74 2HD PRO 74 1.001 -12.690 -11.783 560 H GLN 75 H GLN 75 2.937 -12.683 -8.634 561 HA GLN 75 HA GLN 75 4.512 -13.968 -6.618 562 1HB GLN 75 1HB GLN 75 3.750 -11.115 -7.266 563 2HB GLN 75 2HB GLN 75 4.399 -11.488 -5.682 564 1HG GLN 75 1HG GLN 75 6.450 -11.264 -6.652 565 2HG GLN 75 2HG GLN 75 6.163 -12.855 -7.329 566 1HE2 GLN 75 1HE2 GLN 75 7.749 -11.759 -8.857 567 2HE2 GLN 75 2HE2 GLN 75 7.087 -10.967 -10.247 568 H ARG 76 H ARG 76 1.276 -13.907 -7.201 569 HA ARG 76 HA ARG 76 -0.561 -13.727 -5.991 570 1HB ARG 76 1HB ARG 76 1.262 -15.761 -4.765 571 2HB ARG 76 2HB ARG 76 -0.132 -15.338 -3.791 572 1HG ARG 76 1HG ARG 76 -1.429 -15.646 -6.126 573 2HG ARG 76 2HG ARG 76 -0.041 -16.643 -6.511 574 1HD ARG 76 1HD ARG 76 -0.431 -17.967 -4.403 575 2HD ARG 76 2HD ARG 76 -1.847 -16.991 -4.068 576 HE ARG 76 HE ARG 76 -3.030 -18.256 -5.631 577 1HH1 ARG 76 2HH2 ARG 76 0.409 -18.544 -6.323 578 2HH1 ARG 76 1HH2 ARG 76 0.187 -19.710 -7.585 579 1HH2 ARG 76 2HH1 ARG 76 -3.323 -19.793 -7.296 580 2HH2 ARG 76 1HH1 ARG 76 -1.950 -20.425 -8.142 581 H SER 77 H SER 77 0.095 -11.340 -5.462 582 HA SER 77 HA SER 77 -0.373 -10.970 -2.709 583 1HB SER 77 1HB SER 77 2.280 -9.886 -3.739 584 2HB SER 77 2HB SER 77 1.657 -9.770 -2.106 585 HG SER 77 HG SER 77 2.887 -11.530 -1.845 586 H TYR 78 H TYR 78 -0.086 -8.365 -2.279 587 HA TYR 78 HA TYR 78 -1.158 -7.075 -4.698 588 1HB TYR 78 1HB TYR 78 -1.615 -6.588 -1.688 589 2HB TYR 78 2HB TYR 78 -2.416 -5.696 -2.967 590 HD1 TYR 78 1HD TYR 78 -2.568 -8.562 -0.832 591 HD2 TYR 78 2HD TYR 78 -3.925 -7.036 -4.591 592 HE1 TYR 78 1HE TYR 78 -4.451 -10.270 -0.854 593 HE2 TYR 78 2HE TYR 78 -5.804 -8.749 -4.601 594 HH TYR 78 HH TYR 78 -6.569 -10.581 -3.661 595 H PHE 79 H PHE 79 -0.375 -5.038 -5.272 596 HA PHE 79 HA PHE 79 1.772 -4.013 -3.552 597 1HB PHE 79 1HB PHE 79 1.538 -4.634 -6.512 598 2HB PHE 79 2HB PHE 79 2.452 -3.199 -6.090 599 HD1 PHE 79 1HD PHE 79 2.228 -6.827 -5.266 600 HD2 PHE 79 2HD PHE 79 4.705 -3.396 -5.576 601 HE1 PHE 79 1HE PHE 79 4.249 -8.246 -4.818 602 HE2 PHE 79 2HE PHE 79 6.726 -4.814 -5.128 603 HZ PHE 79 HZ PHE 79 6.474 -7.223 -4.754 604 H LEU 80 H LEU 80 1.889 -1.758 -3.299 605 HA LEU 80 HA LEU 80 -0.296 -0.280 -4.595 606 1HB LEU 80 1HB LEU 80 0.377 -0.633 -1.792 607 2HB LEU 80 2HB LEU 80 0.365 1.061 -2.243 608 HG LEU 80 HG LEU 80 -1.938 -0.764 -2.933 609 1HD1 LEU 80 1HD1 LEU 80 -2.513 0.861 -0.633 610 2HD1 LEU 80 2HD1 LEU 80 -2.628 -0.904 -0.831 611 3HD1 LEU 80 3HD1 LEU 80 -1.096 -0.165 -0.306 612 1HD2 LEU 80 1HD2 LEU 80 -1.353 1.846 -3.643 613 2HD2 LEU 80 2HD2 LEU 80 -2.952 1.064 -3.708 614 3HD2 LEU 80 3HD2 LEU 80 -2.490 2.029 -2.286 615 H ARG 81 H ARG 81 0.561 0.984 -6.155 616 HA ARG 81 HA ARG 81 3.068 2.294 -5.464 617 1HB ARG 81 1HB ARG 81 2.211 1.712 -8.326 618 2HB ARG 81 2HB ARG 81 3.815 2.101 -7.741 619 1HG ARG 81 1HG ARG 81 3.783 -0.088 -6.427 620 2HG ARG 81 2HG ARG 81 2.271 -0.480 -7.222 621 1HD ARG 81 1HD ARG 81 3.314 -1.046 -9.179 622 2HD ARG 81 2HD ARG 81 4.345 0.369 -9.145 623 HE ARG 81 HE ARG 81 6.000 -0.857 -7.970 624 1HH1 ARG 81 2HH2 ARG 81 3.037 -2.732 -8.271 625 2HH1 ARG 81 1HH2 ARG 81 3.775 -4.218 -7.770 626 1HH2 ARG 81 2HH1 ARG 81 6.973 -2.816 -7.308 627 2HH2 ARG 81 1HH1 ARG 81 6.029 -4.265 -7.218 628 H ILE 82 H ILE 82 3.243 4.544 -6.021 629 HA ILE 82 HA ILE 82 0.707 5.728 -6.914 630 HB ILE 82 HB ILE 82 2.714 6.578 -4.855 631 1HG1 ILE 82 1HG1 ILE 82 -0.297 6.664 -4.701 632 2HG1 ILE 82 2HG1 ILE 82 0.587 5.181 -4.399 633 1HG2 ILE 82 1HG2 ILE 82 2.632 8.660 -5.689 634 2HG2 ILE 82 2HG2 ILE 82 1.197 8.319 -6.686 635 3HG2 ILE 82 3HG2 ILE 82 1.009 8.700 -4.957 636 1HD1 ILE 82 1HD1 ILE 82 0.579 6.016 -2.244 637 2HD1 ILE 82 2HD1 ILE 82 2.051 6.829 -2.830 638 3HD1 ILE 82 3HD1 ILE 82 0.504 7.709 -2.790 639 H PHE 83 H PHE 83 0.738 7.156 -8.630 640 HA PHE 83 HA PHE 83 3.393 7.595 -9.810 641 1HB PHE 83 1HB PHE 83 1.470 7.879 -11.828 642 2HB PHE 83 2HB PHE 83 2.383 6.411 -11.540 643 HD1 PHE 83 1HD PHE 83 1.306 4.985 -9.461 644 HD2 PHE 83 2HD PHE 83 -0.794 7.590 -12.072 645 HE1 PHE 83 1HE PHE 83 -0.827 3.755 -8.973 646 HE2 PHE 83 2HE PHE 83 -2.927 6.360 -11.583 647 HZ PHE 83 HZ PHE 83 -2.917 4.457 -10.040 648 H ASP 84 H ASP 84 3.787 9.646 -10.824 649 HA ASP 84 HA ASP 84 2.496 11.756 -9.498 650 1HB ASP 84 1HB ASP 84 4.926 11.588 -10.447 651 2HB ASP 84 2HB ASP 84 4.220 12.008 -11.994 652 H ILE 85 H ILE 85 1.512 13.684 -10.783 653 HA ILE 85 HA ILE 85 -0.187 12.596 -12.905 654 HB ILE 85 HB ILE 85 -1.427 13.381 -11.038 655 1HG1 ILE 85 1HG1 ILE 85 -1.631 15.611 -13.066 656 2HG1 ILE 85 2HG1 ILE 85 -2.124 13.973 -13.444 657 1HG2 ILE 85 1HG2 ILE 85 -1.267 15.769 -10.283 658 2HG2 ILE 85 2HG2 ILE 85 0.149 14.761 -9.898 659 3HG2 ILE 85 3HG2 ILE 85 0.218 15.914 -11.252 660 1HD1 ILE 85 1HD1 ILE 85 -3.250 15.816 -11.304 661 2HD1 ILE 85 2HD1 ILE 85 -4.107 15.048 -12.661 662 3HD1 ILE 85 3HD1 ILE 85 -3.555 14.063 -11.285 663 H LYS 86 H LYS 86 2.577 14.544 -12.314 664 HA LYS 86 HA LYS 86 2.158 15.931 -14.869 665 1HB LYS 86 1HB LYS 86 2.797 16.978 -12.359 666 2HB LYS 86 2HB LYS 86 4.329 16.953 -13.210 667 1HG LYS 86 1HG LYS 86 3.319 18.167 -15.125 668 2HG LYS 86 2HG LYS 86 1.749 18.130 -14.347 669 1HD LYS 86 1HD LYS 86 3.777 19.232 -12.539 670 2HD LYS 86 2HD LYS 86 3.751 20.115 -14.052 671 1HE LYS 86 1HE LYS 86 1.032 19.525 -13.059 672 2HE LYS 86 2HE LYS 86 1.970 20.457 -11.908 673 1HZ LYS 86 1HZ LYS 86 0.768 21.379 -14.186 674 2HZ LYS 86 2HZ LYS 86 1.756 22.216 -13.191 675 3HZ LYS 86 3HZ LYS 86 2.369 21.451 -14.497 676 H ASP 87 H ASP 87 4.461 14.065 -12.816 677 HA ASP 87 HA ASP 87 6.267 13.890 -15.040 678 1HB ASP 87 1HB ASP 87 6.294 13.224 -12.126 679 2HB ASP 87 2HB ASP 87 7.255 12.161 -13.135 680 H GLY 88 H GLY 88 3.488 12.284 -13.805 681 1HA GLY 88 1HA GLY 88 2.593 10.224 -14.052 682 2HA GLY 88 2HA GLY 88 3.214 10.365 -15.684 683 H LYS 89 H LYS 89 5.031 10.073 -12.561 684 HA LYS 89 HA LYS 89 5.953 7.445 -13.466 685 1HB LYS 89 1HB LYS 89 7.651 9.813 -12.669 686 2HB LYS 89 2HB LYS 89 8.243 8.169 -12.536 687 1HG LYS 89 1HG LYS 89 6.961 8.989 -15.140 688 2HG LYS 89 2HG LYS 89 8.560 9.613 -14.787 689 1HD LYS 89 1HD LYS 89 9.446 7.334 -14.494 690 2HD LYS 89 2HD LYS 89 7.842 6.648 -14.659 691 1HE LYS 89 1HE LYS 89 7.937 8.054 -16.991 692 2HE LYS 89 2HE LYS 89 9.653 7.775 -16.773 693 1HZ LYS 89 1HZ LYS 89 9.026 5.396 -16.407 694 2HZ LYS 89 2HZ LYS 89 7.533 5.764 -16.957 695 3HZ LYS 89 3HZ LYS 89 8.831 5.950 -17.930 696 H LEU 90 H LEU 90 7.010 6.211 -11.600 697 HA LEU 90 HA LEU 90 5.200 6.155 -9.466 698 1HB LEU 90 1HB LEU 90 7.291 4.575 -10.509 699 2HB LEU 90 2HB LEU 90 7.701 4.885 -8.834 700 HG LEU 90 HG LEU 90 5.226 4.153 -8.364 701 1HD1 LEU 90 1HD1 LEU 90 5.016 4.022 -11.038 702 2HD1 LEU 90 2HD1 LEU 90 5.533 2.351 -10.704 703 3HD1 LEU 90 3HD1 LEU 90 4.068 3.001 -9.930 704 1HD2 LEU 90 1HD2 LEU 90 5.967 1.959 -7.886 705 2HD2 LEU 90 2HD2 LEU 90 7.199 2.010 -9.169 706 3HD2 LEU 90 3HD2 LEU 90 7.392 3.012 -7.711 707 H LEU 91 H LEU 91 5.093 7.267 -7.580 708 HA LEU 91 HA LEU 91 7.438 8.912 -6.929 709 1HB LEU 91 1HB LEU 91 4.486 9.415 -6.675 710 2HB LEU 91 2HB LEU 91 5.643 10.285 -5.687 711 HG LEU 91 HG LEU 91 5.432 10.311 -8.707 712 1HD1 LEU 91 1HD1 LEU 91 4.435 12.328 -8.550 713 2HD1 LEU 91 2HD1 LEU 91 3.966 11.729 -6.939 714 3HD1 LEU 91 3HD1 LEU 91 5.372 12.808 -7.115 715 1HD2 LEU 91 1HD2 LEU 91 7.259 12.243 -8.133 716 2HD2 LEU 91 2HD2 LEU 91 7.696 10.992 -6.945 717 3HD2 LEU 91 3HD2 LEU 91 7.658 10.597 -8.680 718 H TRP 92 H TRP 92 5.384 6.280 -6.008 719 HA TRP 92 HA TRP 92 6.920 5.888 -3.633 720 1HB TRP 92 1HB TRP 92 5.479 7.417 -2.589 721 2HB TRP 92 2HB TRP 92 4.064 6.810 -3.426 722 HD1 TRP 92 HD TRP 92 6.312 5.993 -0.414 723 HE1 TRP 92 1HE TRP 92 5.186 4.209 1.171 724 HE3 TRP 92 3HE TRP 92 2.438 4.904 -3.522 725 HZ2 TRP 92 2HZ TRP 92 2.854 2.578 0.952 726 HZ3 TRP 92 3HZ TRP 92 0.781 3.205 -2.762 727 HH2 TRP 92 HH TRP 92 0.942 2.058 -0.609 728 H GLU 93 H GLU 93 6.684 3.683 -2.903 729 HA GLU 93 HA GLU 93 4.717 2.083 -4.248 730 1HB GLU 93 1HB GLU 93 6.538 0.436 -5.000 731 2HB GLU 93 2HB GLU 93 6.388 1.910 -5.935 732 1HG GLU 93 1HG GLU 93 8.228 2.200 -3.636 733 2HG GLU 93 2HG GLU 93 8.737 0.952 -4.755 734 H GLN 94 H GLN 94 4.048 0.388 -2.941 735 HA GLN 94 HA GLN 94 5.782 -0.192 -0.671 736 1HB GLN 94 1HB GLN 94 4.041 1.130 0.278 737 2HB GLN 94 2HB GLN 94 2.803 0.377 -0.707 738 1HG GLN 94 1HG GLN 94 2.733 -0.446 1.644 739 2HG GLN 94 2HG GLN 94 3.048 -1.747 0.515 740 1HE2 GLN 94 1HE2 GLN 94 4.049 -3.048 1.987 741 2HE2 GLN 94 2HE2 GLN 94 5.619 -2.741 2.650 742 H GLU 95 H GLU 95 6.036 -2.378 -0.164 743 HA GLU 95 HA GLU 95 4.725 -4.170 -2.033 744 1HB GLU 95 1HB GLU 95 7.273 -4.350 -0.396 745 2HB GLU 95 2HB GLU 95 6.548 -5.792 -1.079 746 1HG GLU 95 1HG GLU 95 7.122 -5.230 -3.235 747 2HG GLU 95 2HG GLU 95 6.772 -3.529 -2.997 748 H LEU 96 H LEU 96 2.671 -4.041 -0.787 749 HA LEU 96 HA LEU 96 2.145 -4.435 1.752 750 1HB LEU 96 1HB LEU 96 0.828 -6.116 -0.379 751 2HB LEU 96 2HB LEU 96 0.136 -5.588 1.142 752 HG LEU 96 HG LEU 96 0.815 -3.869 -1.255 753 1HD1 LEU 96 1HD1 LEU 96 -1.235 -4.542 -1.855 754 2HD1 LEU 96 2HD1 LEU 96 -1.628 -5.138 -0.225 755 3HD1 LEU 96 3HD1 LEU 96 -1.804 -3.408 -0.607 756 1HD2 LEU 96 1HD2 LEU 96 -0.597 -2.302 0.576 757 2HD2 LEU 96 2HD2 LEU 96 0.649 -3.127 1.544 758 3HD2 LEU 96 3HD2 LEU 96 1.121 -2.157 0.128 759 H TYR 97 H TYR 97 2.144 -6.040 3.353 760 HA TYR 97 HA TYR 97 3.600 -8.487 2.609 761 1HB TYR 97 1HB TYR 97 4.200 -8.158 5.225 762 2HB TYR 97 2HB TYR 97 5.111 -7.289 4.007 763 HD1 TYR 97 1HD TYR 97 1.935 -6.851 5.971 764 HD2 TYR 97 2HD TYR 97 5.458 -5.028 4.369 765 HE1 TYR 97 1HE TYR 97 1.294 -4.643 7.055 766 HE2 TYR 97 2HE TYR 97 4.806 -2.826 5.458 767 HH TYR 97 HH TYR 97 2.275 -2.643 7.776 768 H ASN 98 H ASN 98 3.179 -10.353 4.116 769 HA ASN 98 HA ASN 98 0.569 -10.976 4.196 770 1HB ASN 98 1HB ASN 98 2.954 -12.203 4.962 771 2HB ASN 98 2HB ASN 98 2.116 -12.079 6.496 772 1HD2 ASN 98 1HD2 ASN 98 2.239 -14.450 6.251 773 2HD2 ASN 98 2HD2 ASN 98 0.952 -15.278 5.441 774 H ASN 99 H ASN 99 -1.061 -11.032 5.941 775 HA ASN 99 HA ASN 99 -2.169 -10.263 7.637 776 1HB ASN 99 1HB ASN 99 0.639 -10.216 8.701 777 2HB ASN 99 2HB ASN 99 -0.515 -9.245 9.593 778 1HD2 ASN 99 1HD2 ASN 99 0.442 -12.429 8.605 779 2HD2 ASN 99 2HD2 ASN 99 -0.597 -13.346 9.644 780 H PHE 100 H PHE 100 -2.344 -8.490 5.711 781 HA PHE 100 HA PHE 100 -1.361 -5.922 6.723 782 1HB PHE 100 1HB PHE 100 -0.715 -6.622 4.396 783 2HB PHE 100 2HB PHE 100 -2.397 -6.922 4.003 784 HD1 PHE 100 1HD PHE 100 -0.045 -4.214 4.969 785 HD2 PHE 100 2HD PHE 100 -3.729 -5.214 3.116 786 HE1 PHE 100 1HE PHE 100 -0.276 -1.851 4.154 787 HE2 PHE 100 2HE PHE 100 -3.960 -2.851 2.301 788 HZ PHE 100 HZ PHE 100 -2.231 -1.198 2.829 789 H VAL 101 H VAL 101 -2.790 -4.383 7.432 790 HA VAL 101 HA VAL 101 -5.625 -4.867 6.838 791 HB VAL 101 HB VAL 101 -5.190 -5.577 9.093 792 1HG1 VAL 101 1HG1 VAL 101 -3.505 -4.695 10.259 793 2HG1 VAL 101 2HG1 VAL 101 -3.357 -3.345 9.107 794 3HG1 VAL 101 3HG1 VAL 101 -4.480 -3.223 10.482 795 1HG2 VAL 101 1HG2 VAL 101 -6.900 -4.418 10.157 796 2HG2 VAL 101 2HG2 VAL 101 -6.413 -2.852 9.466 797 3HG2 VAL 101 3HG2 VAL 101 -7.219 -4.065 8.442 798 H TYR 102 H TYR 102 -6.964 -2.884 6.865 799 HA TYR 102 HA TYR 102 -5.323 -0.513 6.268 800 1HB TYR 102 1HB TYR 102 -6.898 -2.016 4.555 801 2HB TYR 102 2HB TYR 102 -8.127 -0.949 5.203 802 HD1 TYR 102 1HD TYR 102 -4.557 -0.126 4.469 803 HD2 TYR 102 2HD TYR 102 -8.653 0.421 3.363 804 HE1 TYR 102 1HE TYR 102 -3.875 1.675 2.809 805 HE2 TYR 102 2HE TYR 102 -7.958 2.221 1.707 806 HH TYR 102 HH TYR 102 -6.310 3.249 0.756 807 H ASN 103 H ASN 103 -5.591 1.076 7.747 808 HA ASN 103 HA ASN 103 -8.003 0.995 9.333 809 1HB ASN 103 1HB ASN 103 -5.302 2.370 9.587 810 2HB ASN 103 2HB ASN 103 -6.658 2.960 10.530 811 1HD2 ASN 103 1HD2 ASN 103 -4.248 1.801 11.506 812 2HD2 ASN 103 2HD2 ASN 103 -4.641 0.364 12.392 813 H SER 104 H SER 104 -9.341 2.966 9.575 814 HA SER 104 HA SER 104 -8.706 5.238 8.002 815 1HB SER 104 1HB SER 104 -11.208 3.683 7.224 816 2HB SER 104 2HB SER 104 -10.609 5.152 6.480 817 HG SER 104 HG SER 104 -9.401 2.525 6.412 818 HA PRO 105 HA PRO 105 -11.389 5.792 11.652 819 1HB PRO 105 1HB PRO 105 -9.719 7.375 13.126 820 2HB PRO 105 2HB PRO 105 -9.820 5.638 13.330 821 1HG PRO 105 1HG PRO 105 -7.704 7.230 12.015 822 2HG PRO 105 2HG PRO 105 -7.633 5.579 12.599 823 1HD PRO 105 1HD PRO 105 -7.892 6.423 9.870 824 2HD PRO 105 2HD PRO 105 -7.936 4.776 10.467 825 H ARG 106 H ARG 106 -9.922 7.704 9.327 826 HA ARG 106 HA ARG 106 -11.510 9.972 10.183 827 1HB ARG 106 1HB ARG 106 -8.897 9.815 9.213 828 2HB ARG 106 2HB ARG 106 -9.785 10.290 7.780 829 1HG ARG 106 1HG ARG 106 -9.289 12.374 8.750 830 2HG ARG 106 2HG ARG 106 -10.915 12.083 9.337 831 1HD ARG 106 1HD ARG 106 -8.598 11.071 10.996 832 2HD ARG 106 2HD ARG 106 -8.939 12.789 11.011 833 HE ARG 106 HE ARG 106 -11.432 11.728 11.440 834 1HH1 ARG 106 2HH2 ARG 106 -8.312 11.113 12.948 835 2HH1 ARG 106 1HH2 ARG 106 -8.994 10.682 14.481 836 1HH2 ARG 106 2HH1 ARG 106 -12.332 11.159 13.462 837 2HH2 ARG 106 1HH1 ARG 106 -11.297 10.708 14.775 838 H GLY 107 H GLY 107 -12.297 11.310 8.038 839 1HA GLY 107 1HA GLY 107 -14.321 9.775 6.855 840 2HA GLY 107 2HA GLY 107 -13.796 11.374 6.366 841 H TYR 108 H TYR 108 -11.307 11.190 5.373 842 HA TYR 108 HA TYR 108 -11.296 8.916 3.527 843 1HB TYR 108 1HB TYR 108 -10.820 10.609 1.712 844 2HB TYR 108 2HB TYR 108 -12.378 10.921 2.451 845 HD1 TYR 108 1HD TYR 108 -12.642 12.816 4.064 846 HD2 TYR 108 2HD TYR 108 -9.018 12.194 1.875 847 HE1 TYR 108 1HE TYR 108 -11.916 15.200 4.571 848 HE2 TYR 108 2HE TYR 108 -8.306 14.579 2.389 849 HH TYR 108 HH TYR 108 -10.485 16.784 4.091 850 H PHE 109 H PHE 109 -9.714 8.985 5.799 851 HA PHE 109 HA PHE 109 -7.101 9.457 4.587 852 1HB PHE 109 1HB PHE 109 -8.051 11.288 6.281 853 2HB PHE 109 2HB PHE 109 -7.773 10.070 7.511 854 HD1 PHE 109 1HD PHE 109 -5.815 11.299 4.568 855 HD2 PHE 109 2HD PHE 109 -5.883 10.512 8.737 856 HE1 PHE 109 1HE PHE 109 -3.419 12.025 4.744 857 HE2 PHE 109 2HE PHE 109 -3.487 11.238 8.914 858 HZ PHE 109 HZ PHE 109 -2.284 11.986 6.916 859 H HIS 110 H HIS 110 -6.357 7.377 4.414 860 HA HIS 110 HA HIS 110 -6.898 5.587 6.648 861 1HB HIS 110 1HB HIS 110 -5.701 4.871 3.965 862 2HB HIS 110 2HB HIS 110 -6.395 3.789 5.157 863 HD2 HIS 110 2HD HIS 110 -9.053 6.237 5.256 864 HE1 HIS 110 1HE HIS 110 -9.910 4.156 1.644 865 HE2 HIS 110 2HE HIS 110 -10.818 5.723 3.492 866 H THR 111 H THR 111 -5.302 4.877 8.020 867 HA THR 111 HA THR 111 -2.590 5.859 7.422 868 HB THR 111 HB THR 111 -2.486 5.581 10.057 869 HG1 THR 111 1HG THR 111 -4.639 4.468 9.965 870 1HG2 THR 111 1HG2 THR 111 -3.351 7.756 8.365 871 2HG2 THR 111 2HG2 THR 111 -4.412 7.722 9.795 872 3HG2 THR 111 3HG2 THR 111 -2.648 7.857 9.997 873 H PHE 112 H PHE 112 -0.862 4.486 7.436 874 HA PHE 112 HA PHE 112 -1.196 1.830 8.483 875 1HB PHE 112 1HB PHE 112 -0.741 0.779 6.263 876 2HB PHE 112 2HB PHE 112 -2.190 1.758 6.154 877 HD1 PHE 112 1HD PHE 112 -1.662 4.317 5.475 878 HD2 PHE 112 2HD PHE 112 0.766 0.966 4.536 879 HE1 PHE 112 1HE PHE 112 -0.665 5.579 3.547 880 HE2 PHE 112 2HE PHE 112 1.762 2.227 2.608 881 HZ PHE 112 HZ PHE 112 1.035 4.520 2.137 882 H ALA 113 H ALA 113 0.934 0.506 7.920 883 HA ALA 113 HA ALA 113 3.100 2.240 8.689 884 1HB ALA 113 1HB ALA 113 3.016 0.203 9.871 885 2HB ALA 113 2HB ALA 113 2.678 -0.743 8.401 886 3HB ALA 113 3HB ALA 113 4.301 -0.064 8.670 887 H GLY 114 H GLY 114 4.691 3.028 7.375 888 1HA GLY 114 1HA GLY 114 4.641 2.116 4.564 889 2HA GLY 114 2HA GLY 114 5.064 3.728 5.105 890 H ASP 115 H ASP 115 6.265 0.635 4.248 891 HA ASP 115 HA ASP 115 8.240 -0.257 4.204 892 1HB ASP 115 1HB ASP 115 9.143 1.681 3.161 893 2HB ASP 115 2HB ASP 115 8.984 2.651 4.612 894 H THR 116 H THR 116 9.465 2.240 6.473 895 HA THR 116 HA THR 116 9.288 0.305 8.681 896 HB THR 116 HB THR 116 11.629 0.887 9.262 897 HG1 THR 116 1HG THR 116 11.493 2.353 6.729 898 1HG2 THR 116 1HG2 THR 116 11.870 -0.920 7.782 899 2HG2 THR 116 2HG2 THR 116 11.020 -0.080 6.463 900 3HG2 THR 116 3HG2 THR 116 12.704 0.347 6.850 901 H CYS 117 H CYS 117 8.283 3.216 7.475 902 HA CYS 117 HA CYS 117 8.102 4.287 10.192 903 1HB CYS 117 1HB CYS 117 8.762 5.795 7.651 904 2HB CYS 117 2HB CYS 117 8.131 6.594 9.077 905 HG CYS 117 HG CYS 117 10.590 4.425 9.310 906 H GLN 118 H GLN 118 6.068 5.448 10.599 907 HA GLN 118 HA GLN 118 3.914 4.256 9.268 908 1HB GLN 118 1HB GLN 118 3.753 4.873 11.622 909 2HB GLN 118 2HB GLN 118 4.067 6.558 11.257 910 1HG GLN 118 1HG GLN 118 1.737 6.587 11.423 911 2HG GLN 118 2HG GLN 118 1.931 6.345 9.698 912 1HE2 GLN 118 1HE2 GLN 118 -0.300 5.634 11.350 913 2HE2 GLN 118 2HE2 GLN 118 -0.532 3.921 11.247 914 H VAL 119 H VAL 119 2.448 5.079 7.729 915 HA VAL 119 HA VAL 119 2.962 7.789 6.766 916 HB VAL 119 HB VAL 119 2.813 6.900 4.428 917 1HG1 VAL 119 1HG1 VAL 119 5.212 5.846 5.954 918 2HG1 VAL 119 2HG1 VAL 119 5.148 6.404 4.264 919 3HG1 VAL 119 3HG1 VAL 119 4.947 7.569 5.596 920 1HG2 VAL 119 1HG2 VAL 119 1.841 4.726 4.817 921 2HG2 VAL 119 2HG2 VAL 119 3.453 4.505 4.094 922 3HG2 VAL 119 3HG2 VAL 119 3.216 4.242 5.839 923 H ALA 120 H ALA 120 1.119 8.780 5.772 924 HA ALA 120 HA ALA 120 -1.355 7.222 6.064 925 1HB ALA 120 1HB ALA 120 -1.489 8.611 7.932 926 2HB ALA 120 2HB ALA 120 -0.613 9.941 7.138 927 3HB ALA 120 3HB ALA 120 -2.302 9.598 6.694 928 H LEU 121 H LEU 121 -2.885 7.514 4.423 929 HA LEU 121 HA LEU 121 -1.956 9.220 2.218 930 1HB LEU 121 1HB LEU 121 -3.144 7.661 0.735 931 2HB LEU 121 2HB LEU 121 -1.797 6.936 1.591 932 HG LEU 121 HG LEU 121 -4.196 6.521 3.122 933 1HD1 LEU 121 1HD1 LEU 121 -5.282 6.871 0.879 934 2HD1 LEU 121 2HD1 LEU 121 -4.403 5.433 0.307 935 3HD1 LEU 121 3HD1 LEU 121 -5.580 5.287 1.634 936 1HD2 LEU 121 1HD2 LEU 121 -1.992 4.940 1.919 937 2HD2 LEU 121 2HD2 LEU 121 -2.647 4.939 3.575 938 3HD2 LEU 121 3HD2 LEU 121 -3.498 4.062 2.280 939 H ASN 122 H ASN 122 -3.368 10.716 1.341 940 HA ASN 122 HA ASN 122 -5.994 10.766 2.609 941 1HB ASN 122 1HB ASN 122 -5.815 13.328 2.230 942 2HB ASN 122 2HB ASN 122 -4.822 12.659 3.510 943 1HD2 ASN 122 1HD2 ASN 122 -4.833 14.751 1.034 944 2HD2 ASN 122 2HD2 ASN 122 -3.162 14.778 0.580 945 H PHE 123 H PHE 123 -7.525 10.327 1.016 946 HA PHE 123 HA PHE 123 -6.860 10.549 -1.735 947 1HB PHE 123 1HB PHE 123 -9.571 10.228 -0.315 948 2HB PHE 123 2HB PHE 123 -9.219 9.743 -1.962 949 HD1 PHE 123 1HD PHE 123 -7.898 7.736 -2.414 950 HD2 PHE 123 2HD PHE 123 -8.841 8.882 1.562 951 HE1 PHE 123 1HE PHE 123 -7.265 5.447 -1.604 952 HE2 PHE 123 2HE PHE 123 -8.206 6.593 2.371 953 HZ PHE 123 HZ PHE 123 -7.426 4.902 0.779 954 H ALA 124 H ALA 124 -8.227 11.769 -3.341 955 HA ALA 124 HA ALA 124 -8.490 14.493 -2.425 956 1HB ALA 124 1HB ALA 124 -9.311 14.137 -5.146 957 2HB ALA 124 2HB ALA 124 -7.806 14.861 -4.531 958 3HB ALA 124 3HB ALA 124 -7.880 13.115 -4.867 959 H ASN 125 H ASN 125 -10.508 11.690 -3.215 960 HA ASN 125 HA ASN 125 -12.826 13.406 -2.778 961 1HB ASN 125 1HB ASN 125 -12.241 11.385 -4.845 962 2HB ASN 125 2HB ASN 125 -13.723 11.001 -3.991 963 1HD2 ASN 125 1HD2 ASN 125 -13.249 11.918 -6.735 964 2HD2 ASN 125 2HD2 ASN 125 -14.191 13.353 -6.965 965 H GLU 126 H GLU 126 -14.631 12.314 -1.554 966 HA GLU 126 HA GLU 126 -13.569 10.699 0.512 967 1HB GLU 126 1HB GLU 126 -15.381 12.506 0.723 968 2HB GLU 126 2HB GLU 126 -16.497 11.361 0.005 969 1HG GLU 126 1HG GLU 126 -16.341 9.854 1.842 970 2HG GLU 126 2HG GLU 126 -14.829 10.540 2.402 971 H GLU 127 H GLU 127 -16.034 10.228 -2.112 972 HA GLU 127 HA GLU 127 -16.699 7.656 -1.493 973 1HB GLU 127 1HB GLU 127 -17.680 9.290 -3.262 974 2HB GLU 127 2HB GLU 127 -16.457 8.664 -4.350 975 1HG GLU 127 1HG GLU 127 -17.340 6.297 -3.706 976 2HG GLU 127 2HG GLU 127 -18.715 7.128 -3.005 977 H GLU 128 H GLU 128 -14.072 8.869 -3.680 978 HA GLU 128 HA GLU 128 -13.198 6.432 -4.549 979 1HB GLU 128 1HB GLU 128 -12.182 9.182 -4.444 980 2HB GLU 128 2HB GLU 128 -10.880 8.019 -4.297 981 1HG GLU 128 1HG GLU 128 -12.164 6.818 -6.323 982 2HG GLU 128 2HG GLU 128 -12.814 8.425 -6.581 983 H ALA 129 H ALA 129 -12.744 8.053 -1.426 984 HA ALA 129 HA ALA 129 -10.602 6.326 -0.615 985 1HB ALA 129 1HB ALA 129 -10.913 8.701 0.150 986 2HB ALA 129 2HB ALA 129 -12.369 8.178 1.033 987 3HB ALA 129 3HB ALA 129 -10.773 7.531 1.484 988 H LYS 130 H LYS 130 -14.165 6.498 -0.326 989 HA LYS 130 HA LYS 130 -14.343 4.475 1.645 990 1HB LYS 130 1HB LYS 130 -16.041 6.316 0.974 991 2HB LYS 130 2HB LYS 130 -16.531 5.213 -0.296 992 1HG LYS 130 1HG LYS 130 -16.581 3.447 1.735 993 2HG LYS 130 2HG LYS 130 -16.778 4.900 2.695 994 1HD LYS 130 1HD LYS 130 -18.524 5.085 0.389 995 2HD LYS 130 2HD LYS 130 -18.765 3.521 1.142 996 1HE LYS 130 1HE LYS 130 -18.777 6.145 2.702 997 2HE LYS 130 2HE LYS 130 -20.229 5.405 2.060 998 1HZ LYS 130 1HZ LYS 130 -20.229 3.949 3.701 999 2HZ LYS 130 2HZ LYS 130 -18.657 3.553 3.506 1000 3HZ LYS 130 3HZ LYS 130 -19.069 4.834 4.432 1001 H LYS 131 H LYS 131 -14.593 4.534 -1.961 1002 HA LYS 131 HA LYS 131 -15.180 1.797 -2.191 1003 1HB LYS 131 1HB LYS 131 -14.660 2.122 -4.560 1004 2HB LYS 131 2HB LYS 131 -15.691 3.399 -3.948 1005 1HG LYS 131 1HG LYS 131 -14.131 4.721 -5.031 1006 2HG LYS 131 2HG LYS 131 -13.327 4.602 -3.478 1007 1HD LYS 131 1HD LYS 131 -11.814 2.914 -4.254 1008 2HD LYS 131 2HD LYS 131 -12.804 2.543 -5.651 1009 1HE LYS 131 1HE LYS 131 -12.325 4.844 -6.569 1010 2HE LYS 131 2HE LYS 131 -11.283 5.155 -5.195 1011 1HZ LYS 131 1HZ LYS 131 -9.953 4.388 -6.954 1012 2HZ LYS 131 2HZ LYS 131 -10.023 3.155 -5.886 1013 3HZ LYS 131 3HZ LYS 131 -10.911 3.099 -7.255 1014 H PHE 132 H PHE 132 -12.212 3.621 -1.630 1015 HA PHE 132 HA PHE 132 -10.413 1.676 -2.552 1016 1HB PHE 132 1HB PHE 132 -10.417 4.272 -1.459 1017 2HB PHE 132 2HB PHE 132 -9.695 3.338 -0.165 1018 HD1 PHE 132 1HD PHE 132 -7.524 2.275 -0.455 1019 HD2 PHE 132 2HD PHE 132 -9.269 4.549 -3.585 1020 HE1 PHE 132 1HE PHE 132 -5.309 2.358 -1.631 1021 HE2 PHE 132 2HE PHE 132 -7.054 4.631 -4.761 1022 HZ PHE 132 HZ PHE 132 -5.099 3.535 -3.770 1023 H ARG 133 H ARG 133 -11.529 2.489 0.817 1024 HA ARG 133 HA ARG 133 -10.168 0.384 1.975 1025 1HB ARG 133 1HB ARG 133 -11.541 2.534 2.928 1026 2HB ARG 133 2HB ARG 133 -12.759 1.305 3.203 1027 1HG ARG 133 1HG ARG 133 -10.715 -0.057 4.253 1028 2HG ARG 133 2HG ARG 133 -9.991 1.532 4.402 1029 1HD ARG 133 1HD ARG 133 -11.792 2.334 5.805 1030 2HD ARG 133 2HD ARG 133 -12.808 0.960 5.419 1031 HE ARG 133 HE ARG 133 -10.340 0.043 6.596 1032 1HH1 ARG 133 2HH2 ARG 133 -13.380 1.604 7.437 1033 2HH1 ARG 133 1HH2 ARG 133 -13.369 1.032 9.072 1034 1HH2 ARG 133 2HH1 ARG 133 -10.325 -0.712 8.753 1035 2HH2 ARG 133 1HH1 ARG 133 -11.619 -0.294 9.826 1036 H LYS 134 H LYS 134 -13.279 0.606 0.294 1037 HA LYS 134 HA LYS 134 -14.365 -1.795 1.350 1038 1HB LYS 134 1HB LYS 134 -15.320 0.365 -0.090 1039 2HB LYS 134 2HB LYS 134 -15.342 -0.922 -1.278 1040 1HG LYS 134 1HG LYS 134 -16.708 -2.339 0.147 1041 2HG LYS 134 2HG LYS 134 -16.484 -1.280 1.525 1042 1HD LYS 134 1HD LYS 134 -18.356 -0.157 0.922 1043 2HD LYS 134 2HD LYS 134 -17.531 0.387 -0.525 1044 1HE LYS 134 1HE LYS 134 -18.707 -2.397 -0.516 1045 2HE LYS 134 2HE LYS 134 -19.802 -1.037 -0.667 1046 1HZ LYS 134 1HZ LYS 134 -18.224 -2.137 -2.631 1047 2HZ LYS 134 2HZ LYS 134 -19.187 -0.824 -2.753 1048 3HZ LYS 134 3HZ LYS 134 -17.614 -0.648 -2.355 1049 H ALA 135 H ALA 135 -12.485 -0.892 -1.591 1050 HA ALA 135 HA ALA 135 -12.636 -3.425 -2.788 1051 1HB ALA 135 1HB ALA 135 -10.476 -1.293 -3.037 1052 2HB ALA 135 2HB ALA 135 -10.848 -2.577 -4.213 1053 3HB ALA 135 3HB ALA 135 -12.025 -1.275 -3.913 1054 H VAL 136 H VAL 136 -10.227 -1.880 -0.572 1055 HA VAL 136 HA VAL 136 -8.375 -3.929 -0.580 1056 HB VAL 136 HB VAL 136 -9.197 -1.869 1.458 1057 1HG1 VAL 136 1HG1 VAL 136 -8.309 -3.595 2.826 1058 2HG1 VAL 136 2HG1 VAL 136 -7.005 -3.949 1.668 1059 3HG1 VAL 136 3HG1 VAL 136 -6.987 -2.426 2.591 1060 1HG2 VAL 136 1HG2 VAL 136 -8.139 -1.040 -0.590 1061 2HG2 VAL 136 2HG2 VAL 136 -7.067 -0.816 0.812 1062 3HG2 VAL 136 3HG2 VAL 136 -6.762 -2.140 -0.339 1063 H THR 137 H THR 137 -11.189 -3.389 1.653 1064 HA THR 137 HA THR 137 -10.799 -5.776 3.084 1065 HB THR 137 HB THR 137 -13.296 -5.260 3.668 1066 HG1 THR 137 1HG THR 137 -13.828 -3.069 2.806 1067 1HG2 THR 137 1HG2 THR 137 -12.476 -3.869 5.288 1068 2HG2 THR 137 2HG2 THR 137 -10.898 -3.961 4.468 1069 3HG2 THR 137 3HG2 THR 137 -12.031 -2.646 4.075 1070 H ASP 138 H ASP 138 -12.751 -4.999 0.160 1071 HA ASP 138 HA ASP 138 -14.098 -7.373 0.028 1072 1HB ASP 138 1HB ASP 138 -13.403 -5.158 -1.775 1073 2HB ASP 138 2HB ASP 138 -13.479 -6.677 -2.645 1074 H LEU 139 H LEU 139 -10.787 -6.422 -1.010 1075 HA LEU 139 HA LEU 139 -10.298 -8.884 -2.381 1076 1HB LEU 139 1HB LEU 139 -8.817 -6.383 -1.775 1077 2HB LEU 139 2HB LEU 139 -7.859 -7.820 -2.069 1078 HG LEU 139 HG LEU 139 -9.231 -8.086 -4.234 1079 1HD1 LEU 139 1HD1 LEU 139 -10.891 -6.273 -3.366 1080 2HD1 LEU 139 2HD1 LEU 139 -9.697 -5.128 -4.022 1081 3HD1 LEU 139 3HD1 LEU 139 -10.460 -6.329 -5.091 1082 1HD2 LEU 139 1HD2 LEU 139 -7.721 -5.694 -4.786 1083 2HD2 LEU 139 2HD2 LEU 139 -6.853 -6.716 -3.616 1084 3HD2 LEU 139 3HD2 LEU 139 -7.353 -7.389 -5.186 1085 H LEU 140 H LEU 140 -9.346 -7.401 0.782 1086 HA LEU 140 HA LEU 140 -7.797 -9.578 1.613 1087 1HB LEU 140 1HB LEU 140 -8.993 -7.157 2.822 1088 2HB LEU 140 2HB LEU 140 -8.627 -8.463 3.931 1089 HG LEU 140 HG LEU 140 -6.362 -8.103 2.220 1090 1HD1 LEU 140 1HD1 LEU 140 -6.009 -5.661 3.371 1091 2HD1 LEU 140 2HD1 LEU 140 -6.524 -5.929 1.688 1092 3HD1 LEU 140 3HD1 LEU 140 -7.737 -5.601 2.949 1093 1HD2 LEU 140 1HD2 LEU 140 -6.620 -7.326 5.130 1094 2HD2 LEU 140 2HD2 LEU 140 -6.506 -9.013 4.575 1095 3HD2 LEU 140 3HD2 LEU 140 -5.172 -7.879 4.256 1096 H GLY 141 H GLY 141 -11.263 -9.054 1.395 1097 1HA GLY 141 1HA GLY 141 -11.988 -11.047 3.331 1098 2HA GLY 141 2HA GLY 141 -13.033 -10.236 2.181 1099 H ARG 142 H ARG 142 -11.897 -10.838 -0.299 1100 HA ARG 142 HA ARG 142 -12.812 -13.447 -0.626 1101 1HB ARG 142 1HB ARG 142 -12.544 -11.346 -2.299 1102 2HB ARG 142 2HB ARG 142 -11.037 -12.146 -2.699 1103 1HG ARG 142 1HG ARG 142 -13.593 -13.770 -2.624 1104 2HG ARG 142 2HG ARG 142 -13.272 -12.750 -4.012 1105 1HD ARG 142 1HD ARG 142 -11.037 -13.882 -4.301 1106 2HD ARG 142 2HD ARG 142 -11.413 -14.932 -2.948 1107 HE ARG 142 HE ARG 142 -12.781 -16.193 -4.358 1108 1HH1 ARG 142 2HH2 ARG 142 -12.335 -13.002 -5.774 1109 2HH1 ARG 142 1HH2 ARG 142 -13.167 -13.396 -7.241 1110 1HH2 ARG 142 2HH1 ARG 142 -13.879 -16.713 -6.293 1111 2HH2 ARG 142 1HH1 ARG 142 -14.051 -15.520 -7.539 1112 H ARG 143 H ARG 143 -9.537 -11.933 -0.513 1113 HA ARG 143 HA ARG 143 -7.545 -12.745 -0.324 1114 1HB ARG 143 1HB ARG 143 -9.174 -14.388 1.379 1115 2HB ARG 143 2HB ARG 143 -8.013 -15.459 0.619 1116 1HG ARG 143 1HG ARG 143 -6.137 -14.058 1.377 1117 2HG ARG 143 2HG ARG 143 -7.241 -12.846 1.998 1118 1HD ARG 143 1HD ARG 143 -7.546 -15.670 3.019 1119 2HD ARG 143 2HD ARG 143 -6.177 -14.740 3.594 1120 HE ARG 143 HE ARG 143 -8.397 -13.029 3.837 1121 1HH1 ARG 143 2HH2 ARG 143 -7.424 -16.157 5.119 1122 2HH1 ARG 143 1HH2 ARG 143 -8.311 -15.972 6.595 1123 1HH2 ARG 143 2HH1 ARG 143 -9.568 -12.783 5.784 1124 2HH2 ARG 143 1HH1 ARG 143 -9.539 -14.039 6.976 1125 H GLN 144 H GLN 144 -6.941 -12.924 -2.532 1126 HA GLN 144 HA GLN 144 -6.872 -15.647 -3.486 1127 1HB GLN 144 1HB GLN 144 -8.909 -14.149 -4.409 1128 2HB GLN 144 2HB GLN 144 -7.671 -13.558 -5.500 1129 1HG GLN 144 1HG GLN 144 -8.538 -15.404 -6.682 1130 2HG GLN 144 2HG GLN 144 -7.116 -16.087 -5.917 1131 1HE2 GLN 144 1HE2 GLN 144 -7.294 -17.665 -4.439 1132 2HE2 GLN 144 2HE2 GLN 144 -8.779 -18.389 -3.918 Start of MODEL 5 1 1H ASP 1 H ASP 1 -7.246 21.647 11.918 2 HA ASP 1 HA ASP 1 -5.740 20.628 10.207 3 1HB ASP 1 1HB ASP 1 -4.245 19.564 12.025 4 2HB ASP 1 2HB ASP 1 -4.686 21.245 12.246 5 H LEU 2 H LEU 2 -4.354 18.270 10.573 6 HA LEU 2 HA LEU 2 -6.344 16.294 9.864 7 1HB LEU 2 1HB LEU 2 -3.499 15.542 9.946 8 2HB LEU 2 2HB LEU 2 -4.715 15.267 8.713 9 HG LEU 2 HG LEU 2 -3.178 17.837 9.174 10 1HD1 LEU 2 1HD1 LEU 2 -2.477 17.201 6.720 11 2HD1 LEU 2 2HD1 LEU 2 -1.648 16.489 8.125 12 3HD1 LEU 2 3HD1 LEU 2 -2.891 15.555 7.258 13 1HD2 LEU 2 1HD2 LEU 2 -5.626 18.012 8.367 14 2HD2 LEU 2 2HD2 LEU 2 -4.358 18.870 7.457 15 3HD2 LEU 2 3HD2 LEU 2 -5.011 17.332 6.841 16 HA PRO 3 HA PRO 3 -6.007 13.916 13.470 17 1HB PRO 3 1HB PRO 3 -5.381 11.358 12.739 18 2HB PRO 3 2HB PRO 3 -6.988 12.038 12.569 19 1HG PRO 3 1HG PRO 3 -4.961 11.522 10.478 20 2HG PRO 3 2HG PRO 3 -6.684 11.790 10.296 21 1HD PRO 3 1HD PRO 3 -4.588 13.674 9.763 22 2HD PRO 3 2HD PRO 3 -6.313 13.977 9.693 23 HA PRO 4 HA PRO 4 -2.131 13.643 15.171 24 1HB PRO 4 1HB PRO 4 -2.469 11.988 17.320 25 2HB PRO 4 2HB PRO 4 -2.925 13.680 17.332 26 1HG PRO 4 1HG PRO 4 -4.660 11.294 17.137 27 2HG PRO 4 2HG PRO 4 -5.094 12.934 17.574 28 1HD PRO 4 1HD PRO 4 -5.568 11.646 15.055 29 2HD PRO 4 2HD PRO 4 -5.897 13.320 15.454 30 HA PRO 5 HA PRO 5 -0.171 10.286 13.429 31 1HB PRO 5 1HB PRO 5 2.426 10.975 13.929 32 2HB PRO 5 2HB PRO 5 1.516 11.591 12.564 33 1HG PRO 5 1HG PRO 5 2.253 12.967 15.074 34 2HG PRO 5 2HG PRO 5 1.734 13.664 13.552 35 1HD PRO 5 1HD PRO 5 0.155 13.361 15.928 36 2HD PRO 5 2HD PRO 5 -0.395 13.950 14.372 37 H GLU 6 H GLU 6 0.067 8.223 14.035 38 HA GLU 6 HA GLU 6 0.466 7.901 16.869 39 1HB GLU 6 1HB GLU 6 -0.317 5.633 16.545 40 2HB GLU 6 2HB GLU 6 -1.373 6.697 15.636 41 1HG GLU 6 1HG GLU 6 0.401 6.196 13.671 42 2HG GLU 6 2HG GLU 6 0.699 4.755 14.622 43 HA PRO 7 HA PRO 7 4.556 6.506 16.481 44 1HB PRO 7 1HB PRO 7 4.808 4.799 18.600 45 2HB PRO 7 2HB PRO 7 4.882 6.542 18.760 46 1HG PRO 7 1HG PRO 7 2.681 4.706 19.485 47 2HG PRO 7 2HG PRO 7 2.954 6.355 20.012 48 1HD PRO 7 1HD PRO 7 1.053 5.472 18.054 49 2HD PRO 7 2HD PRO 7 1.407 7.129 18.497 50 H TYR 8 H TYR 8 5.425 5.373 14.875 51 HA TYR 8 HA TYR 8 4.210 2.761 14.409 52 1HB TYR 8 1HB TYR 8 4.402 4.276 12.488 53 2HB TYR 8 2HB TYR 8 6.025 4.756 12.946 54 HD1 TYR 8 1HD TYR 8 7.216 4.251 10.962 55 HD2 TYR 8 2HD TYR 8 4.735 1.263 12.755 56 HE1 TYR 8 1HE TYR 8 8.172 2.501 9.385 57 HE2 TYR 8 2HE TYR 8 5.699 -0.477 11.174 58 HH TYR 8 HH TYR 8 6.792 -0.263 8.713 59 H VAL 9 H VAL 9 5.162 0.955 15.195 60 HA VAL 9 HA VAL 9 8.079 1.055 15.549 61 HB VAL 9 HB VAL 9 5.914 -0.126 17.282 62 1HG1 VAL 9 1HG1 VAL 9 7.629 -1.229 18.612 63 2HG1 VAL 9 2HG1 VAL 9 7.680 -1.827 16.936 64 3HG1 VAL 9 3HG1 VAL 9 8.896 -0.656 17.501 65 1HG2 VAL 9 1HG2 VAL 9 7.718 2.181 17.419 66 2HG2 VAL 9 2HG2 VAL 9 6.224 1.836 18.325 67 3HG2 VAL 9 3HG2 VAL 9 7.776 1.159 18.876 68 H GLN 10 H GLN 10 9.257 -0.809 14.933 69 HA GLN 10 HA GLN 10 8.576 -2.061 12.717 70 1HB GLN 10 1HB GLN 10 10.480 -2.515 14.857 71 2HB GLN 10 2HB GLN 10 9.914 -4.063 14.261 72 1HG GLN 10 1HG GLN 10 11.155 -3.848 12.376 73 2HG GLN 10 2HG GLN 10 10.375 -2.327 11.988 74 1HE2 GLN 10 1HE2 GLN 10 11.282 -0.386 12.588 75 2HE2 GLN 10 2HE2 GLN 10 12.920 -0.219 13.127 76 H THR 11 H THR 11 7.755 -4.228 12.130 77 HA THR 11 HA THR 11 6.121 -5.522 14.171 78 HB THR 11 HB THR 11 5.143 -3.838 11.933 79 HG1 THR 11 1HG THR 11 3.772 -3.520 13.650 80 1HG2 THR 11 1HG2 THR 11 4.243 -6.728 12.275 81 2HG2 THR 11 2HG2 THR 11 3.085 -5.468 11.786 82 3HG2 THR 11 3HG2 THR 11 4.499 -5.821 10.765 83 H THR 12 H THR 12 6.525 -5.674 10.569 84 HA THR 12 HA THR 12 7.981 -8.146 10.826 85 HB THR 12 HB THR 12 5.185 -8.117 9.572 86 HG1 THR 12 1HG THR 12 4.648 -8.604 11.660 87 1HG2 THR 12 1HG2 THR 12 6.691 -10.595 10.400 88 2HG2 THR 12 2HG2 THR 12 5.504 -10.384 9.091 89 3HG2 THR 12 3HG2 THR 12 7.177 -9.816 8.875 90 H LYS 13 H LYS 13 5.888 -6.493 8.361 91 HA LYS 13 HA LYS 13 6.360 -5.719 6.350 92 1HB LYS 13 1HB LYS 13 8.992 -5.229 7.728 93 2HB LYS 13 2HB LYS 13 8.802 -4.864 6.026 94 1HG LYS 13 1HG LYS 13 6.484 -3.849 7.431 95 2HG LYS 13 2HG LYS 13 7.918 -3.314 8.284 96 1HD LYS 13 1HD LYS 13 7.808 -3.078 5.264 97 2HD LYS 13 2HD LYS 13 6.972 -1.894 6.250 98 1HE LYS 13 1HE LYS 13 9.922 -2.600 6.609 99 2HE LYS 13 2HE LYS 13 9.362 -1.265 5.620 100 1HZ LYS 13 1HZ LYS 13 8.727 -0.105 7.429 101 2HZ LYS 13 2HZ LYS 13 8.360 -1.416 8.331 102 3HZ LYS 13 3HZ LYS 13 9.919 -0.970 8.135 103 H SER 14 H SER 14 6.907 -8.657 7.279 104 HA SER 14 HA SER 14 8.878 -9.512 5.426 105 1HB SER 14 1HB SER 14 6.849 -11.010 7.135 106 2HB SER 14 2HB SER 14 8.007 -11.824 6.102 107 HG SER 14 HG SER 14 9.084 -9.861 7.836 108 H TYR 15 H TYR 15 8.577 -10.311 3.334 109 HA TYR 15 HA TYR 15 5.823 -10.159 2.332 110 1HB TYR 15 1HB TYR 15 8.501 -10.320 0.832 111 2HB TYR 15 2HB TYR 15 6.980 -9.739 0.187 112 HD1 TYR 15 1HD TYR 15 6.269 -7.463 0.512 113 HD2 TYR 15 2HD TYR 15 9.788 -8.923 2.459 114 HE1 TYR 15 1HE TYR 15 6.925 -5.085 1.125 115 HE2 TYR 15 2HE TYR 15 10.432 -6.540 3.066 116 HH TYR 15 HH TYR 15 8.655 -3.811 1.786 117 HA PRO 16 HA PRO 16 5.883 -14.429 1.613 118 1HB PRO 16 1HB PRO 16 3.872 -14.651 -0.224 119 2HB PRO 16 2HB PRO 16 3.585 -14.509 1.499 120 1HG PRO 16 1HG PRO 16 3.241 -12.467 -0.610 121 2HG PRO 16 2HG PRO 16 2.573 -12.495 1.010 122 1HD PRO 16 1HD PRO 16 4.789 -10.921 0.092 123 2HD PRO 16 2HD PRO 16 4.196 -11.037 1.737 124 H SER 17 H SER 17 6.160 -12.270 -1.091 125 HA SER 17 HA SER 17 6.945 -14.273 -2.882 126 1HB SER 17 1HB SER 17 6.103 -12.196 -3.760 127 2HB SER 17 2HB SER 17 7.261 -11.250 -2.847 128 HG SER 17 HG SER 17 8.897 -11.801 -4.236 129 H LYS 18 H LYS 18 8.628 -12.195 -0.510 130 HA LYS 18 HA LYS 18 11.093 -13.654 -1.144 131 1HB LYS 18 1HB LYS 18 11.050 -11.246 -1.978 132 2HB LYS 18 2HB LYS 18 11.016 -10.750 -0.299 133 1HG LYS 18 1HG LYS 18 13.219 -11.274 0.034 134 2HG LYS 18 2HG LYS 18 13.090 -12.789 -0.840 135 1HD LYS 18 1HD LYS 18 13.333 -11.677 -2.986 136 2HD LYS 18 2HD LYS 18 13.137 -10.093 -2.263 137 1HE LYS 18 1HE LYS 18 15.305 -11.396 -0.886 138 2HE LYS 18 2HE LYS 18 15.569 -11.626 -2.602 139 1HZ LYS 18 1HZ LYS 18 15.670 -9.382 -2.952 140 2HZ LYS 18 2HZ LYS 18 14.817 -8.990 -1.616 141 3HZ LYS 18 3HZ LYS 18 16.366 -9.489 -1.478 142 H LEU 19 H LEU 19 9.602 -14.918 0.589 143 HA LEU 19 HA LEU 19 10.189 -13.861 3.246 144 1HB LEU 19 1HB LEU 19 7.956 -15.071 2.146 145 2HB LEU 19 2HB LEU 19 8.694 -16.362 3.073 146 HG LEU 19 HG LEU 19 8.168 -13.644 4.279 147 1HD1 LEU 19 1HD1 LEU 19 6.205 -15.574 3.422 148 2HD1 LEU 19 2HD1 LEU 19 6.190 -15.420 5.195 149 3HD1 LEU 19 3HD1 LEU 19 5.978 -13.977 4.174 150 1HD2 LEU 19 1HD2 LEU 19 9.673 -14.899 5.600 151 2HD2 LEU 19 2HD2 LEU 19 8.081 -15.055 6.383 152 3HD2 LEU 19 3HD2 LEU 19 8.726 -16.394 5.402 153 H ALA 20 H ALA 20 11.998 -15.293 1.049 154 HA ALA 20 HA ALA 20 13.839 -16.523 1.161 155 1HB ALA 20 1HB ALA 20 14.982 -16.492 3.123 156 2HB ALA 20 2HB ALA 20 13.608 -15.530 3.717 157 3HB ALA 20 3HB ALA 20 13.661 -17.284 4.015 158 H ARG 21 H ARG 21 10.899 -17.539 1.022 159 HA ARG 21 HA ARG 21 10.608 -19.953 2.152 160 1HB ARG 21 1HB ARG 21 9.314 -18.486 0.155 161 2HB ARG 21 2HB ARG 21 9.799 -19.933 -0.706 162 1HG ARG 21 1HG ARG 21 8.324 -21.266 0.437 163 2HG ARG 21 2HG ARG 21 8.671 -20.501 1.975 164 1HD ARG 21 1HD ARG 21 6.862 -19.118 1.812 165 2HD ARG 21 2HD ARG 21 7.266 -18.652 0.171 166 HE ARG 21 HE ARG 21 5.692 -20.190 -0.595 167 1HH1 ARG 21 2HH2 ARG 21 6.711 -21.149 2.634 168 2HH1 ARG 21 1HH2 ARG 21 5.589 -22.465 2.737 169 1HH2 ARG 21 2HH1 ARG 21 4.212 -21.926 -0.460 170 2HH2 ARG 21 1HH1 ARG 21 4.158 -22.910 0.964 171 H ASN 22 H ASN 22 12.125 -19.268 -1.088 172 HA ASN 22 HA ASN 22 13.100 -21.978 -1.133 173 1HB ASN 22 1HB ASN 22 12.345 -20.039 -3.106 174 2HB ASN 22 2HB ASN 22 14.064 -20.297 -3.325 175 1HD2 ASN 22 1HD2 ASN 22 10.967 -21.440 -3.923 176 2HD2 ASN 22 2HD2 ASN 22 11.333 -23.016 -4.540 177 H GLU 23 H GLU 23 15.496 -22.325 -1.666 178 HA GLU 23 HA GLU 23 17.066 -20.227 -0.388 179 1HB GLU 23 1HB GLU 23 16.842 -22.837 0.394 180 2HB GLU 23 2HB GLU 23 18.217 -22.969 -0.685 181 1HG GLU 23 1HG GLU 23 18.560 -20.601 0.951 182 2HG GLU 23 2HG GLU 23 18.169 -21.948 2.000 183 H SER 24 H SER 24 19.567 -20.508 -1.157 184 HA SER 24 HA SER 24 21.005 -20.202 -2.751 185 1HB SER 24 1HB SER 24 19.214 -22.002 -4.444 186 2HB SER 24 2HB SER 24 20.871 -21.582 -4.826 187 HG SER 24 HG SER 24 21.004 -23.560 -3.796 188 H ARG 25 H ARG 25 21.324 -18.335 -3.922 189 HA ARG 25 HA ARG 25 19.003 -17.373 -5.395 190 1HB ARG 25 1HB ARG 25 19.813 -15.068 -4.931 191 2HB ARG 25 2HB ARG 25 19.550 -15.943 -3.435 192 1HG ARG 25 1HG ARG 25 22.198 -16.577 -3.998 193 2HG ARG 25 2HG ARG 25 22.086 -14.940 -4.616 194 1HD ARG 25 1HD ARG 25 22.393 -14.248 -2.466 195 2HD ARG 25 2HD ARG 25 20.739 -14.750 -2.173 196 HE ARG 25 HE ARG 25 22.271 -17.093 -1.935 197 1HH1 ARG 25 2HH2 ARG 25 22.154 -13.953 -0.352 198 2HH1 ARG 25 1HH2 ARG 25 22.733 -14.553 1.166 199 1HH2 ARG 25 2HH1 ARG 25 23.036 -17.887 0.067 200 2HH2 ARG 25 1HH1 ARG 25 23.239 -16.806 1.405 201 H GLY 26 H GLY 26 19.628 -15.874 -7.298 202 1HA GLY 26 1HA GLY 26 21.978 -17.025 -8.651 203 2HA GLY 26 2HA GLY 26 20.570 -16.323 -9.421 204 H SER 27 H SER 27 22.840 -15.346 -10.408 205 HA SER 27 HA SER 27 22.691 -12.641 -9.782 206 1HB SER 27 1HB SER 27 24.868 -12.220 -8.788 207 2HB SER 27 2HB SER 27 24.017 -13.375 -7.782 208 HG SER 27 HG SER 27 25.267 -14.982 -9.360 209 H GLY 28 H GLY 28 24.462 -11.383 -11.078 210 1HA GLY 28 1HA GLY 28 25.855 -11.174 -12.874 211 2HA GLY 28 2HA GLY 28 25.836 -12.910 -13.115 212 H SER 29 H SER 29 25.403 -10.558 -15.019 213 HA SER 29 HA SER 29 23.506 -11.766 -16.601 214 1HB SER 29 1HB SER 29 22.365 -9.989 -14.605 215 2HB SER 29 2HB SER 29 22.091 -9.318 -16.201 216 HG SER 29 HG SER 29 20.431 -10.876 -15.378 217 H GLY 30 H GLY 30 22.855 -10.145 -18.505 218 1HA GLY 30 1HA GLY 30 25.297 -8.659 -19.149 219 2HA GLY 30 2HA GLY 30 24.065 -9.213 -20.265 220 H SER 31 H SER 31 22.909 -7.571 -21.160 221 HA SER 31 HA SER 31 22.228 -5.367 -19.379 222 1HB SER 31 1HB SER 31 24.061 -5.039 -21.318 223 2HB SER 31 2HB SER 31 22.635 -4.846 -22.317 224 HG SER 31 HG SER 31 22.406 -3.401 -19.961 225 H LEU 32 H LEU 32 20.408 -7.280 -19.406 226 HA LEU 32 HA LEU 32 18.369 -6.268 -21.233 227 1HB LEU 32 1HB LEU 32 19.483 -9.004 -21.156 228 2HB LEU 32 2HB LEU 32 17.734 -8.900 -21.177 229 HG LEU 32 HG LEU 32 18.849 -7.118 -23.165 230 1HD1 LEU 32 1HD1 LEU 32 20.779 -8.491 -23.300 231 2HD1 LEU 32 2HD1 LEU 32 19.812 -9.984 -23.231 232 3HD1 LEU 32 3HD1 LEU 32 19.734 -8.939 -24.670 233 1HD2 LEU 32 1HD2 LEU 32 17.229 -9.628 -23.613 234 2HD2 LEU 32 2HD2 LEU 32 16.524 -8.119 -22.984 235 3HD2 LEU 32 3HD2 LEU 32 17.280 -8.145 -24.596 236 H PHE 33 H PHE 33 17.311 -5.153 -19.592 237 HA PHE 33 HA PHE 33 15.682 -6.736 -17.911 238 1HB PHE 33 1HB PHE 33 18.175 -6.439 -16.879 239 2HB PHE 33 2HB PHE 33 17.580 -4.846 -16.457 240 HD1 PHE 33 1HD PHE 33 17.255 -8.434 -15.814 241 HD2 PHE 33 2HD PHE 33 15.871 -4.563 -14.759 242 HE1 PHE 33 1HE PHE 33 16.188 -9.379 -13.748 243 HE2 PHE 33 2HE PHE 33 14.805 -5.508 -12.692 244 HZ PHE 33 HZ PHE 33 14.976 -7.905 -12.211 245 H SER 34 H SER 34 13.830 -5.621 -18.369 246 HA SER 34 HA SER 34 13.569 -3.022 -17.352 247 1HB SER 34 1HB SER 34 14.728 -2.852 -19.764 248 2HB SER 34 2HB SER 34 13.081 -3.058 -20.327 249 HG SER 34 HG SER 34 13.771 -0.790 -19.993 250 H PHE 35 H PHE 35 11.956 -4.486 -16.284 251 HA PHE 35 HA PHE 35 9.994 -5.512 -16.093 252 1HB PHE 35 1HB PHE 35 9.564 -2.994 -17.760 253 2HB PHE 35 2HB PHE 35 8.174 -4.004 -17.412 254 HD1 PHE 35 1HD PHE 35 7.123 -3.941 -15.294 255 HD2 PHE 35 2HD PHE 35 10.855 -1.996 -15.841 256 HE1 PHE 35 1HE PHE 35 6.866 -2.819 -13.064 257 HE2 PHE 35 2HE PHE 35 10.598 -0.874 -13.612 258 HZ PHE 35 HZ PHE 35 8.606 -1.298 -12.249 259 H LEU 36 H LEU 36 10.251 -7.529 -17.135 260 HA LEU 36 HA LEU 36 8.926 -7.652 -19.736 261 1HB LEU 36 1HB LEU 36 10.593 -9.245 -20.544 262 2HB LEU 36 2HB LEU 36 11.251 -7.643 -20.276 263 HG LEU 36 HG LEU 36 11.547 -9.508 -17.997 264 1HD1 LEU 36 1HD1 LEU 36 12.109 -11.233 -19.364 265 2HD1 LEU 36 2HD1 LEU 36 12.576 -10.168 -20.712 266 3HD1 LEU 36 3HD1 LEU 36 13.678 -10.393 -19.333 267 1HD2 LEU 36 1HD2 LEU 36 13.484 -7.669 -19.431 268 2HD2 LEU 36 2HD2 LEU 36 12.508 -7.252 -18.001 269 3HD2 LEU 36 3HD2 LEU 36 13.767 -8.505 -17.885 270 H GLY 37 H GLY 37 7.082 -8.265 -18.382 271 1HA GLY 37 1HA GLY 37 6.098 -10.595 -18.335 272 2HA GLY 37 2HA GLY 37 7.373 -10.950 -17.184 273 H LYS 38 H LYS 38 6.457 -11.104 -15.177 274 HA LYS 38 HA LYS 38 5.391 -10.530 -13.332 275 1HB LYS 38 1HB LYS 38 5.693 -7.816 -14.595 276 2HB LYS 38 2HB LYS 38 4.757 -7.997 -13.125 277 1HG LYS 38 1HG LYS 38 6.657 -8.951 -11.933 278 2HG LYS 38 2HG LYS 38 7.590 -9.092 -13.410 279 1HD LYS 38 1HD LYS 38 7.223 -6.469 -13.577 280 2HD LYS 38 2HD LYS 38 6.864 -6.587 -11.866 281 1HE LYS 38 1HE LYS 38 9.190 -8.120 -12.100 282 2HE LYS 38 2HE LYS 38 9.464 -6.839 -13.264 283 1HZ LYS 38 1HZ LYS 38 9.183 -6.663 -10.400 284 2HZ LYS 38 2HZ LYS 38 10.137 -5.804 -11.407 285 3HZ LYS 38 3HZ LYS 38 8.555 -5.426 -11.261 286 H LYS 39 H LYS 39 3.377 -11.204 -12.818 287 HA LYS 39 HA LYS 39 1.261 -10.544 -14.741 288 1HB LYS 39 1HB LYS 39 1.863 -12.995 -13.118 289 2HB LYS 39 2HB LYS 39 0.200 -12.636 -13.536 290 1HG LYS 39 1HG LYS 39 1.484 -12.204 -15.959 291 2HG LYS 39 2HG LYS 39 2.442 -13.506 -15.284 292 1HD LYS 39 1HD LYS 39 0.809 -15.016 -15.728 293 2HD LYS 39 2HD LYS 39 -0.363 -14.081 -14.820 294 1HE LYS 39 1HE LYS 39 0.438 -13.420 -17.691 295 2HE LYS 39 2HE LYS 39 -0.933 -14.432 -17.287 296 1HZ LYS 39 1HZ LYS 39 -2.104 -12.634 -16.866 297 2HZ LYS 39 2HZ LYS 39 -1.019 -12.073 -15.783 298 3HZ LYS 39 3HZ LYS 39 -0.864 -11.695 -17.365 299 H CYS 40 H CYS 40 1.416 -8.404 -13.411 300 HA CYS 40 HA CYS 40 0.027 -8.694 -10.873 301 1HB CYS 40 1HB CYS 40 0.575 -6.291 -10.560 302 2HB CYS 40 2HB CYS 40 1.991 -7.301 -10.769 303 HG CYS 40 HG CYS 40 2.495 -6.776 -13.201 304 H VAL 41 H VAL 41 -2.057 -7.753 -10.541 305 HA VAL 41 HA VAL 41 -3.332 -6.757 -12.995 306 HB VAL 41 HB VAL 41 -4.507 -8.481 -10.805 307 1HG1 VAL 41 1HG1 VAL 41 -5.719 -6.860 -12.961 308 2HG1 VAL 41 2HG1 VAL 41 -6.307 -8.536 -12.854 309 3HG1 VAL 41 3HG1 VAL 41 -6.421 -7.462 -11.440 310 1HG2 VAL 41 1HG2 VAL 41 -4.628 -10.245 -12.454 311 2HG2 VAL 41 2HG2 VAL 41 -3.984 -9.167 -13.715 312 3HG2 VAL 41 3HG2 VAL 41 -2.949 -9.664 -12.355 313 H THR 42 H THR 42 -4.627 -4.916 -12.804 314 HA THR 42 HA THR 42 -4.296 -3.498 -10.268 315 HB THR 42 HB THR 42 -5.291 -2.502 -12.986 316 HG1 THR 42 1HG THR 42 -3.100 -3.503 -12.961 317 1HG2 THR 42 1HG2 THR 42 -3.644 -0.759 -11.258 318 2HG2 THR 42 2HG2 THR 42 -5.186 -0.399 -12.072 319 3HG2 THR 42 3HG2 THR 42 -5.184 -1.214 -10.488 320 H MET 43 H MET 43 -6.042 -2.474 -9.178 321 HA MET 43 HA MET 43 -8.541 -3.874 -9.710 322 1HB MET 43 1HB MET 43 -7.092 -2.915 -7.253 323 2HB MET 43 2HB MET 43 -8.837 -2.761 -7.201 324 1HG MET 43 1HG MET 43 -7.973 -5.383 -8.260 325 2HG MET 43 2HG MET 43 -7.376 -5.089 -6.639 326 1HE MET 43 1HE MET 43 -10.629 -3.879 -4.876 327 2HE MET 43 2HE MET 43 -9.334 -4.985 -4.359 328 3HE MET 43 3HE MET 43 -8.928 -3.479 -5.216 329 H SER 44 H SER 44 -7.413 -0.707 -8.300 330 HA SER 44 HA SER 44 -9.161 0.657 -10.107 331 1HB SER 44 1HB SER 44 -10.408 -0.062 -7.854 332 2HB SER 44 2HB SER 44 -9.565 1.325 -7.192 333 HG SER 44 HG SER 44 -11.191 2.456 -8.007 334 H SER 45 H SER 45 -8.963 3.177 -9.620 335 HA SER 45 HA SER 45 -6.331 3.689 -8.493 336 1HB SER 45 1HB SER 45 -6.005 5.379 -10.394 337 2HB SER 45 2HB SER 45 -5.870 3.687 -10.832 338 HG SER 45 HG SER 45 -7.712 3.779 -11.993 339 H ALA 46 H ALA 46 -6.325 5.439 -7.095 340 HA ALA 46 HA ALA 46 -8.465 7.406 -7.385 341 1HB ALA 46 1HB ALA 46 -7.829 6.517 -4.612 342 2HB ALA 46 2HB ALA 46 -9.378 7.030 -5.323 343 3HB ALA 46 3HB ALA 46 -8.769 5.382 -5.608 344 H VAL 47 H VAL 47 -7.705 9.468 -7.160 345 HA VAL 47 HA VAL 47 -4.900 9.795 -6.735 346 HB VAL 47 HB VAL 47 -7.177 11.733 -7.178 347 1HG1 VAL 47 1HG1 VAL 47 -5.757 13.298 -6.412 348 2HG1 VAL 47 2HG1 VAL 47 -4.366 12.190 -6.452 349 3HG1 VAL 47 3HG1 VAL 47 -4.870 13.039 -7.933 350 1HG2 VAL 47 1HG2 VAL 47 -6.972 10.581 -9.176 351 2HG2 VAL 47 2HG2 VAL 47 -5.840 11.931 -9.428 352 3HG2 VAL 47 3HG2 VAL 47 -5.222 10.324 -8.976 353 H VAL 48 H VAL 48 -3.865 10.152 -4.838 354 HA VAL 48 HA VAL 48 -5.312 11.475 -2.702 355 HB VAL 48 HB VAL 48 -5.372 9.774 -1.231 356 1HG1 VAL 48 1HG1 VAL 48 -6.002 7.659 -2.255 357 2HG1 VAL 48 2HG1 VAL 48 -6.645 9.011 -3.218 358 3HG1 VAL 48 3HG1 VAL 48 -5.206 8.126 -3.776 359 1HG2 VAL 48 1HG2 VAL 48 -2.805 8.875 -2.511 360 2HG2 VAL 48 2HG2 VAL 48 -3.149 9.286 -0.813 361 3HG2 VAL 48 3HG2 VAL 48 -3.727 7.743 -1.490 362 H GLN 49 H GLN 49 -3.741 11.967 -0.838 363 HA GLN 49 HA GLN 49 -1.126 12.441 -2.040 364 1HB GLN 49 1HB GLN 49 -2.495 14.038 0.168 365 2HB GLN 49 2HB GLN 49 -0.962 14.427 -0.587 366 1HG GLN 49 1HG GLN 49 -2.016 15.502 -2.281 367 2HG GLN 49 2HG GLN 49 -2.926 14.059 -2.679 368 1HE2 GLN 49 1HE2 GLN 49 -4.910 13.634 -1.608 369 2HE2 GLN 49 2HE2 GLN 49 -5.877 14.911 -0.952 370 H LEU 50 H LEU 50 0.493 11.208 -1.198 371 HA LEU 50 HA LEU 50 0.037 9.805 1.265 372 1HB LEU 50 1HB LEU 50 1.069 8.745 -0.687 373 2HB LEU 50 2HB LEU 50 2.410 9.869 -0.604 374 HG LEU 50 HG LEU 50 2.692 8.914 1.833 375 1HD1 LEU 50 1HD1 LEU 50 2.104 6.506 1.951 376 2HD1 LEU 50 2HD1 LEU 50 0.686 7.581 1.920 377 3HD1 LEU 50 3HD1 LEU 50 1.162 6.694 0.453 378 1HD2 LEU 50 1HD2 LEU 50 4.506 7.829 1.045 379 2HD2 LEU 50 2HD2 LEU 50 3.576 6.913 -0.164 380 3HD2 LEU 50 3HD2 LEU 50 4.035 8.603 -0.487 381 H TYR 51 H TYR 51 0.635 10.441 3.271 382 HA TYR 51 HA TYR 51 2.588 12.638 3.418 383 1HB TYR 51 1HB TYR 51 -0.060 11.969 4.790 384 2HB TYR 51 2HB TYR 51 1.116 12.923 5.672 385 HD1 TYR 51 1HD TYR 51 -1.407 12.939 3.071 386 HD2 TYR 51 2HD TYR 51 1.839 15.161 4.754 387 HE1 TYR 51 1HE TYR 51 -2.245 15.046 1.923 388 HE2 TYR 51 2HE TYR 51 0.990 17.261 3.599 389 HH TYR 51 HH TYR 51 -0.418 18.076 2.159 390 H ALA 52 H ALA 52 3.920 12.688 5.381 391 HA ALA 52 HA ALA 52 4.094 10.047 6.660 392 1HB ALA 52 1HB ALA 52 6.352 11.861 5.718 393 2HB ALA 52 2HB ALA 52 6.562 10.368 6.663 394 3HB ALA 52 3HB ALA 52 5.893 10.291 5.016 395 H ALA 53 H ALA 53 3.762 10.168 8.820 396 HA ALA 53 HA ALA 53 3.344 12.594 10.117 397 1HB ALA 53 1HB ALA 53 3.962 9.799 11.149 398 2HB ALA 53 2HB ALA 53 3.420 11.147 12.178 399 3HB ALA 53 3HB ALA 53 2.357 10.523 10.895 400 H ASP 54 H ASP 54 5.165 13.962 9.596 401 HA ASP 54 HA ASP 54 7.774 13.235 10.084 402 1HB ASP 54 1HB ASP 54 6.615 15.367 8.939 403 2HB ASP 54 2HB ASP 54 6.841 16.077 10.525 404 H ARG 55 H ARG 55 9.220 14.180 11.878 405 HA ARG 55 HA ARG 55 8.437 13.402 14.317 406 1HB ARG 55 1HB ARG 55 10.692 14.674 13.194 407 2HB ARG 55 2HB ARG 55 10.206 15.762 14.478 408 1HG ARG 55 1HG ARG 55 10.028 13.556 15.934 409 2HG ARG 55 2HG ARG 55 11.035 12.852 14.684 410 1HD ARG 55 1HD ARG 55 12.612 14.897 15.035 411 2HD ARG 55 2HD ARG 55 11.697 15.210 16.495 412 HE ARG 55 HE ARG 55 12.522 12.438 16.392 413 1HH1 ARG 55 2HH2 ARG 55 13.722 15.677 17.057 414 2HH1 ARG 55 1HH2 ARG 55 14.985 15.132 18.107 415 1HH2 ARG 55 2HH1 ARG 55 14.190 11.717 17.777 416 2HH2 ARG 55 1HH1 ARG 55 15.254 12.863 18.519 417 H ASN 56 H ASN 56 8.429 15.050 16.367 418 HA ASN 56 HA ASN 56 7.201 16.413 17.528 419 1HB ASN 56 1HB ASN 56 8.129 17.989 15.207 420 2HB ASN 56 2HB ASN 56 6.647 18.644 15.876 421 1HD2 ASN 56 1HD2 ASN 56 6.984 20.181 17.271 422 2HD2 ASN 56 2HD2 ASN 56 8.258 20.290 18.439 423 H CYS 57 H CYS 57 5.888 14.516 15.476 424 HA CYS 57 HA CYS 57 3.908 14.021 14.664 425 1HB CYS 57 1HB CYS 57 2.879 15.899 16.816 426 2HB CYS 57 2HB CYS 57 1.917 14.715 15.955 427 HG CYS 57 HG CYS 57 2.781 14.106 18.531 428 H MET 58 H MET 58 4.310 15.004 12.574 429 HA MET 58 HA MET 58 2.470 17.064 11.981 430 1HB MET 58 1HB MET 58 5.276 17.736 12.544 431 2HB MET 58 2HB MET 58 4.889 18.131 10.880 432 1HG MET 58 1HG MET 58 3.090 18.982 13.190 433 2HG MET 58 2HG MET 58 4.442 19.964 12.663 434 1HE MET 58 1HE MET 58 4.927 20.647 10.527 435 2HE MET 58 2HE MET 58 4.185 19.845 9.122 436 3HE MET 58 3HE MET 58 3.698 21.500 9.561 437 H TRP 59 H TRP 59 1.580 15.778 10.365 438 HA TRP 59 HA TRP 59 2.804 14.006 8.745 439 1HB TRP 59 1HB TRP 59 0.632 15.875 7.802 440 2HB TRP 59 2HB TRP 59 0.972 14.252 7.234 441 HD1 TRP 59 HD TRP 59 -0.795 16.088 10.088 442 HE1 TRP 59 1HE TRP 59 -2.220 14.438 11.575 443 HE3 TRP 59 3HE TRP 59 0.996 11.816 7.991 444 HZ2 TRP 59 2HZ TRP 59 -2.432 11.595 11.704 445 HZ3 TRP 59 3HZ TRP 59 0.129 9.646 8.856 446 HH2 TRP 59 HH TRP 59 -1.527 9.492 10.648 447 H SER 60 H SER 60 3.833 14.078 6.659 448 HA SER 60 HA SER 60 4.560 16.739 5.763 449 1HB SER 60 1HB SER 60 6.404 14.603 6.754 450 2HB SER 60 2HB SER 60 6.904 15.419 5.286 451 HG SER 60 HG SER 60 7.729 16.538 7.121 452 H LYS 61 H LYS 61 3.715 16.800 3.708 453 HA LYS 61 HA LYS 61 3.018 14.568 2.236 454 1HB LYS 61 1HB LYS 61 1.973 16.601 1.703 455 2HB LYS 61 2HB LYS 61 3.490 17.463 1.547 456 1HG LYS 61 1HG LYS 61 3.076 15.118 -0.287 457 2HG LYS 61 2HG LYS 61 2.098 16.540 -0.594 458 1HD LYS 61 1HD LYS 61 5.068 16.890 -0.134 459 2HD LYS 61 2HD LYS 61 4.523 16.284 -1.685 460 1HE LYS 61 1HE LYS 61 3.713 18.324 -2.330 461 2HE LYS 61 2HE LYS 61 2.936 18.605 -0.783 462 1HZ LYS 61 1HZ LYS 61 5.021 19.279 0.121 463 2HZ LYS 61 2HZ LYS 61 5.821 18.904 -1.253 464 3HZ LYS 61 3HZ LYS 61 4.751 20.137 -1.241 465 H LYS 62 H LYS 62 4.039 13.260 0.744 466 HA LYS 62 HA LYS 62 6.924 13.724 0.501 467 1HB LYS 62 1HB LYS 62 5.560 11.505 1.433 468 2HB LYS 62 2HB LYS 62 5.905 11.068 -0.228 469 1HG LYS 62 1HG LYS 62 8.023 10.566 0.407 470 2HG LYS 62 2HG LYS 62 8.294 12.274 0.685 471 1HD LYS 62 1HD LYS 62 7.402 12.014 3.026 472 2HD LYS 62 2HD LYS 62 7.199 10.297 2.741 473 1HE LYS 62 1HE LYS 62 9.678 10.131 2.245 474 2HE LYS 62 2HE LYS 62 9.844 11.826 2.652 475 1HZ LYS 62 1HZ LYS 62 8.909 9.700 4.449 476 2HZ LYS 62 2HZ LYS 62 10.328 10.504 4.544 477 3HZ LYS 62 3HZ LYS 62 8.924 11.285 4.840 478 H CYS 63 H CYS 63 3.896 12.897 -1.262 479 HA CYS 63 HA CYS 63 4.422 14.377 -3.458 480 1HB CYS 63 1HB CYS 63 6.044 11.936 -3.503 481 2HB CYS 63 2HB CYS 63 5.004 12.076 -4.907 482 HG CYS 63 HG CYS 63 5.624 14.741 -5.203 483 H SER 64 H SER 64 2.340 14.551 -4.211 484 HA SER 64 HA SER 64 0.582 12.314 -3.698 485 1HB SER 64 1HB SER 64 -1.076 14.231 -4.669 486 2HB SER 64 2HB SER 64 -0.614 14.132 -2.982 487 HG SER 64 HG SER 64 -0.040 16.187 -3.383 488 H GLY 65 H GLY 65 -1.270 12.154 -5.547 489 1HA GLY 65 1HA GLY 65 -1.034 12.761 -8.137 490 2HA GLY 65 2HA GLY 65 0.172 11.499 -7.982 491 H VAL 66 H VAL 66 -1.062 10.073 -9.365 492 HA VAL 66 HA VAL 66 -3.657 9.250 -8.327 493 HB VAL 66 HB VAL 66 -2.333 8.220 -10.817 494 1HG1 VAL 66 1HG1 VAL 66 -4.314 7.069 -10.492 495 2HG1 VAL 66 2HG1 VAL 66 -5.134 8.465 -9.753 496 3HG1 VAL 66 3HG1 VAL 66 -4.859 8.422 -11.511 497 1HG2 VAL 66 1HG2 VAL 66 -2.125 10.345 -11.542 498 2HG2 VAL 66 2HG2 VAL 66 -3.891 10.268 -11.750 499 3HG2 VAL 66 3HG2 VAL 66 -3.200 10.991 -10.278 500 H ALA 67 H ALA 67 -3.813 7.550 -6.964 501 HA ALA 67 HA ALA 67 -1.578 5.642 -6.982 502 1HB ALA 67 1HB ALA 67 -2.299 7.174 -4.916 503 2HB ALA 67 2HB ALA 67 -3.498 5.878 -4.687 504 3HB ALA 67 3HB ALA 67 -1.760 5.493 -4.685 505 H CYS 68 H CYS 68 -1.997 3.503 -7.410 506 HA CYS 68 HA CYS 68 -4.826 2.766 -7.570 507 1HB CYS 68 1HB CYS 68 -4.344 1.423 -9.572 508 2HB CYS 68 2HB CYS 68 -4.046 3.128 -9.846 509 HG CYS 68 HG CYS 68 -1.463 2.005 -8.535 510 H LEU 69 H LEU 69 -5.254 0.537 -6.974 511 HA LEU 69 HA LEU 69 -3.049 -0.633 -5.444 512 1HB LEU 69 1HB LEU 69 -5.115 -0.010 -4.246 513 2HB LEU 69 2HB LEU 69 -6.026 -1.111 -5.260 514 HG LEU 69 HG LEU 69 -3.807 -2.511 -4.044 515 1HD1 LEU 69 1HD1 LEU 69 -4.401 -0.505 -2.392 516 2HD1 LEU 69 2HD1 LEU 69 -5.694 -1.632 -1.913 517 3HD1 LEU 69 3HD1 LEU 69 -3.990 -2.137 -1.810 518 1HD2 LEU 69 1HD2 LEU 69 -5.879 -3.761 -3.033 519 2HD2 LEU 69 2HD2 LEU 69 -6.790 -2.759 -4.189 520 3HD2 LEU 69 3HD2 LEU 69 -5.519 -3.861 -4.773 521 H VAL 70 H VAL 70 -1.892 -2.078 -6.609 522 HA VAL 70 HA VAL 70 -3.373 -3.732 -8.520 523 HB VAL 70 HB VAL 70 -0.464 -2.967 -8.268 524 1HG1 VAL 70 1HG1 VAL 70 -0.794 -5.378 -8.947 525 2HG1 VAL 70 2HG1 VAL 70 -1.657 -4.781 -10.385 526 3HG1 VAL 70 3HG1 VAL 70 0.055 -4.364 -10.138 527 1HG2 VAL 70 1HG2 VAL 70 -0.917 -2.089 -10.615 528 2HG2 VAL 70 2HG2 VAL 70 -2.647 -2.338 -10.271 529 3HG2 VAL 70 3HG2 VAL 70 -1.695 -1.208 -9.278 530 H LYS 71 H LYS 71 -3.558 -5.923 -8.228 531 HA LYS 71 HA LYS 71 -2.147 -6.998 -5.886 532 1HB LYS 71 1HB LYS 71 -4.065 -8.546 -5.650 533 2HB LYS 71 2HB LYS 71 -4.505 -6.864 -5.435 534 1HG LYS 71 1HG LYS 71 -5.895 -6.878 -7.245 535 2HG LYS 71 2HG LYS 71 -4.713 -7.688 -8.254 536 1HD LYS 71 1HD LYS 71 -5.630 -9.590 -6.289 537 2HD LYS 71 2HD LYS 71 -7.044 -8.812 -6.973 538 1HE LYS 71 1HE LYS 71 -6.828 -10.263 -8.715 539 2HE LYS 71 2HE LYS 71 -5.482 -9.270 -9.236 540 1HZ LYS 71 1HZ LYS 71 -4.713 -11.459 -9.047 541 2HZ LYS 71 2HZ LYS 71 -4.082 -10.672 -7.762 542 3HZ LYS 71 3HZ LYS 71 -5.356 -11.674 -7.561 543 H ASP 72 H ASP 72 -0.489 -8.287 -6.465 544 HA ASP 72 HA ASP 72 -0.500 -9.406 -9.093 545 1HB ASP 72 1HB ASP 72 1.588 -8.492 -8.198 546 2HB ASP 72 2HB ASP 72 1.478 -9.505 -6.773 547 H ASN 73 H ASN 73 -2.069 -11.115 -9.099 548 HA ASN 73 HA ASN 73 -2.879 -13.097 -8.765 549 1HB ASN 73 1HB ASN 73 -0.106 -13.527 -7.586 550 2HB ASN 73 2HB ASN 73 -1.291 -14.815 -7.510 551 1HD2 ASN 73 1HD2 ASN 73 0.592 -12.731 -9.597 552 2HD2 ASN 73 2HD2 ASN 73 0.478 -13.668 -11.049 553 HA PRO 74 HA PRO 74 -4.502 -12.895 -4.692 554 1HB PRO 74 1HB PRO 74 -6.071 -15.133 -4.654 555 2HB PRO 74 2HB PRO 74 -6.571 -13.625 -5.393 556 1HG PRO 74 1HG PRO 74 -5.668 -16.118 -6.700 557 2HG PRO 74 2HG PRO 74 -6.558 -14.777 -7.391 558 1HD PRO 74 1HD PRO 74 -3.769 -15.344 -7.738 559 2HD PRO 74 2HD PRO 74 -4.634 -13.941 -8.333 560 H GLN 75 H GLN 75 -2.215 -15.042 -5.624 561 HA GLN 75 HA GLN 75 -2.198 -16.284 -2.996 562 1HB GLN 75 1HB GLN 75 -0.943 -17.017 -5.658 563 2HB GLN 75 2HB GLN 75 -0.345 -17.723 -4.169 564 1HG GLN 75 1HG GLN 75 -2.918 -18.233 -3.711 565 2HG GLN 75 2HG GLN 75 -3.074 -18.026 -5.445 566 1HE2 GLN 75 1HE2 GLN 75 -1.277 -19.741 -2.927 567 2HE2 GLN 75 2HE2 GLN 75 -0.941 -21.184 -3.826 568 H ARG 76 H ARG 76 0.190 -14.970 -5.416 569 HA ARG 76 HA ARG 76 2.321 -14.760 -3.857 570 1HB ARG 76 1HB ARG 76 1.262 -13.243 -6.181 571 2HB ARG 76 2HB ARG 76 2.424 -12.330 -5.240 572 1HG ARG 76 1HG ARG 76 3.783 -13.486 -6.797 573 2HG ARG 76 2HG ARG 76 3.925 -14.458 -5.345 574 1HD ARG 76 1HD ARG 76 1.650 -15.522 -6.609 575 2HD ARG 76 2HD ARG 76 2.717 -15.152 -7.949 576 HE ARG 76 HE ARG 76 3.089 -17.254 -5.995 577 1HH1 ARG 76 2HH2 ARG 76 4.866 -14.964 -7.990 578 2HH1 ARG 76 1HH2 ARG 76 6.300 -15.935 -8.053 579 1HH2 ARG 76 2HH1 ARG 76 4.979 -18.535 -6.077 580 2HH2 ARG 76 1HH1 ARG 76 6.364 -17.980 -6.958 581 H SER 77 H SER 77 0.519 -11.688 -4.518 582 HA SER 77 HA SER 77 -0.343 -11.128 -2.020 583 1HB SER 77 1HB SER 77 1.503 -9.456 -1.291 584 2HB SER 77 2HB SER 77 1.788 -11.162 -1.003 585 HG SER 77 HG SER 77 3.668 -10.300 -1.941 586 H TYR 78 H TYR 78 -0.038 -8.390 -1.733 587 HA TYR 78 HA TYR 78 -0.962 -7.426 -4.347 588 1HB TYR 78 1HB TYR 78 -1.235 -6.290 -1.497 589 2HB TYR 78 2HB TYR 78 -2.132 -5.746 -2.900 590 HD1 TYR 78 1HD TYR 78 -1.636 -8.692 -0.664 591 HD2 TYR 78 2HD TYR 78 -4.206 -6.725 -3.461 592 HE1 TYR 78 1HE TYR 78 -3.499 -10.334 -0.117 593 HE2 TYR 78 2HE TYR 78 -6.061 -8.374 -2.905 594 HH TYR 78 HH TYR 78 -6.132 -10.771 -2.024 595 H PHE 79 H PHE 79 -0.577 -4.942 -4.620 596 HA PHE 79 HA PHE 79 1.930 -4.094 -3.439 597 1HB PHE 79 1HB PHE 79 1.350 -4.430 -6.444 598 2HB PHE 79 2HB PHE 79 2.761 -3.597 -5.821 599 HD1 PHE 79 1HD PHE 79 2.201 -6.305 -7.520 600 HD2 PHE 79 2HD PHE 79 3.574 -5.385 -3.612 601 HE1 PHE 79 1HE PHE 79 3.454 -8.479 -7.449 602 HE2 PHE 79 2HE PHE 79 4.827 -7.558 -3.540 603 HZ PHE 79 HZ PHE 79 4.753 -9.080 -5.459 604 H LEU 80 H LEU 80 1.875 -1.927 -3.006 605 HA LEU 80 HA LEU 80 -0.183 -0.382 -4.427 606 1HB LEU 80 1HB LEU 80 0.373 -0.748 -1.583 607 2HB LEU 80 2HB LEU 80 0.323 0.940 -2.051 608 HG LEU 80 HG LEU 80 -1.883 -1.015 -2.734 609 1HD1 LEU 80 1HD1 LEU 80 -2.810 0.664 -0.704 610 2HD1 LEU 80 2HD1 LEU 80 -2.443 -1.074 -0.585 611 3HD1 LEU 80 3HD1 LEU 80 -1.202 0.129 -0.159 612 1HD2 LEU 80 1HD2 LEU 80 -1.352 1.754 -3.377 613 2HD2 LEU 80 2HD2 LEU 80 -2.632 0.668 -3.971 614 3HD2 LEU 80 3HD2 LEU 80 -2.875 1.593 -2.470 615 H ARG 81 H ARG 81 0.417 1.567 -5.344 616 HA ARG 81 HA ARG 81 2.952 2.667 -4.645 617 1HB ARG 81 1HB ARG 81 2.573 2.106 -7.597 618 2HB ARG 81 2HB ARG 81 4.062 2.402 -6.721 619 1HG ARG 81 1HG ARG 81 3.914 0.192 -5.630 620 2HG ARG 81 2HG ARG 81 2.348 -0.101 -6.360 621 1HD ARG 81 1HD ARG 81 4.712 0.527 -8.151 622 2HD ARG 81 2HD ARG 81 4.555 -1.085 -7.479 623 HE ARG 81 HE ARG 81 2.048 -0.202 -8.639 624 1HH1 ARG 81 2HH2 ARG 81 5.218 -1.484 -9.467 625 2HH1 ARG 81 1HH2 ARG 81 4.684 -2.197 -10.952 626 1HH2 ARG 81 2HH1 ARG 81 1.342 -1.143 -10.597 627 2HH2 ARG 81 1HH1 ARG 81 2.464 -2.002 -11.599 628 H ILE 82 H ILE 82 3.310 4.806 -5.902 629 HA ILE 82 HA ILE 82 0.748 5.879 -6.843 630 HB ILE 82 HB ILE 82 2.583 6.963 -4.732 631 1HG1 ILE 82 1HG1 ILE 82 -0.349 7.260 -4.551 632 2HG1 ILE 82 2HG1 ILE 82 0.210 5.599 -4.590 633 1HG2 ILE 82 1HG2 ILE 82 2.373 8.732 -6.413 634 2HG2 ILE 82 2HG2 ILE 82 0.600 8.587 -6.349 635 3HG2 ILE 82 3HG2 ILE 82 1.500 9.141 -4.916 636 1HD1 ILE 82 1HD1 ILE 82 0.592 5.855 -2.360 637 2HD1 ILE 82 2HD1 ILE 82 2.029 6.785 -2.846 638 3HD1 ILE 82 3HD1 ILE 82 0.508 7.629 -2.468 639 H PHE 83 H PHE 83 0.890 7.399 -8.539 640 HA PHE 83 HA PHE 83 3.598 7.667 -9.644 641 1HB PHE 83 1HB PHE 83 1.694 7.941 -11.722 642 2HB PHE 83 2HB PHE 83 2.655 6.508 -11.417 643 HD1 PHE 83 1HD PHE 83 1.610 5.066 -9.326 644 HD2 PHE 83 2HD PHE 83 -0.553 7.561 -11.991 645 HE1 PHE 83 1HE PHE 83 -0.482 3.765 -8.846 646 HE2 PHE 83 2HE PHE 83 -2.645 6.260 -11.512 647 HZ PHE 83 HZ PHE 83 -2.584 4.377 -9.945 648 H ASP 84 H ASP 84 4.072 9.657 -10.775 649 HA ASP 84 HA ASP 84 2.597 11.835 -9.656 650 1HB ASP 84 1HB ASP 84 5.160 11.682 -9.892 651 2HB ASP 84 2HB ASP 84 4.936 11.931 -11.612 652 H ILE 85 H ILE 85 1.172 13.175 -10.845 653 HA ILE 85 HA ILE 85 0.565 12.288 -13.538 654 HB ILE 85 HB ILE 85 -1.235 12.544 -11.936 655 1HG1 ILE 85 1HG1 ILE 85 -1.485 14.732 -14.010 656 2HG1 ILE 85 2HG1 ILE 85 -1.499 13.031 -14.427 657 1HG2 ILE 85 1HG2 ILE 85 -1.700 15.228 -11.601 658 2HG2 ILE 85 2HG2 ILE 85 -0.990 14.137 -10.386 659 3HG2 ILE 85 3HG2 ILE 85 0.068 15.122 -11.424 660 1HD1 ILE 85 1HD1 ILE 85 -3.672 14.620 -13.450 661 2HD1 ILE 85 2HD1 ILE 85 -3.681 12.886 -13.852 662 3HD1 ILE 85 3HD1 ILE 85 -3.294 13.414 -12.197 663 H LYS 86 H LYS 86 3.069 13.900 -12.598 664 HA LYS 86 HA LYS 86 2.669 16.143 -14.452 665 1HB LYS 86 1HB LYS 86 3.791 16.003 -11.780 666 2HB LYS 86 2HB LYS 86 4.976 16.617 -12.915 667 1HG LYS 86 1HG LYS 86 3.164 18.214 -13.787 668 2HG LYS 86 2HG LYS 86 2.163 17.700 -12.443 669 1HD LYS 86 1HD LYS 86 4.865 18.417 -11.539 670 2HD LYS 86 2HD LYS 86 4.115 19.742 -12.407 671 1HE LYS 86 1HE LYS 86 2.131 19.641 -10.935 672 2HE LYS 86 2HE LYS 86 2.767 18.224 -10.123 673 1HZ LYS 86 1HZ LYS 86 4.766 19.758 -9.692 674 2HZ LYS 86 2HZ LYS 86 3.710 20.971 -9.979 675 3HZ LYS 86 3HZ LYS 86 3.428 19.912 -8.768 676 H ASP 87 H ASP 87 4.872 13.512 -13.350 677 HA ASP 87 HA ASP 87 6.269 13.855 -15.883 678 1HB ASP 87 1HB ASP 87 7.599 14.064 -13.719 679 2HB ASP 87 2HB ASP 87 7.207 12.393 -13.372 680 H GLY 88 H GLY 88 4.104 11.921 -14.000 681 1HA GLY 88 1HA GLY 88 3.064 9.972 -14.438 682 2HA GLY 88 2HA GLY 88 3.834 9.940 -16.013 683 H LYS 89 H LYS 89 5.640 10.172 -12.924 684 HA LYS 89 HA LYS 89 6.654 7.467 -13.462 685 1HB LYS 89 1HB LYS 89 8.059 9.898 -12.323 686 2HB LYS 89 2HB LYS 89 8.729 8.280 -12.282 687 1HG LYS 89 1HG LYS 89 7.816 8.743 -14.969 688 2HG LYS 89 2HG LYS 89 8.709 10.169 -14.478 689 1HD LYS 89 1HD LYS 89 10.719 9.037 -14.335 690 2HD LYS 89 2HD LYS 89 9.978 7.571 -13.727 691 1HE LYS 89 1HE LYS 89 10.694 6.954 -15.900 692 2HE LYS 89 2HE LYS 89 8.987 7.283 -16.122 693 1HZ LYS 89 1HZ LYS 89 11.081 9.289 -16.582 694 2HZ LYS 89 2HZ LYS 89 10.461 8.343 -17.760 695 3HZ LYS 89 3HZ LYS 89 9.501 9.408 -16.979 696 H LEU 90 H LEU 90 7.549 6.412 -11.357 697 HA LEU 90 HA LEU 90 5.366 6.347 -9.533 698 1HB LEU 90 1HB LEU 90 7.587 4.713 -10.269 699 2HB LEU 90 2HB LEU 90 7.636 4.954 -8.533 700 HG LEU 90 HG LEU 90 5.105 4.293 -8.618 701 1HD1 LEU 90 1HD1 LEU 90 5.651 4.162 -11.339 702 2HD1 LEU 90 2HD1 LEU 90 5.640 2.460 -10.815 703 3HD1 LEU 90 3HD1 LEU 90 4.228 3.498 -10.502 704 1HD2 LEU 90 1HD2 LEU 90 5.690 2.216 -7.871 705 2HD2 LEU 90 2HD2 LEU 90 6.889 1.960 -9.163 706 3HD2 LEU 90 3HD2 LEU 90 7.275 3.022 -7.787 707 H LEU 91 H LEU 91 5.155 7.256 -7.515 708 HA LEU 91 HA LEU 91 7.392 8.979 -6.701 709 1HB LEU 91 1HB LEU 91 4.409 9.323 -6.454 710 2HB LEU 91 2HB LEU 91 5.544 10.253 -5.496 711 HG LEU 91 HG LEU 91 5.210 10.273 -8.501 712 1HD1 LEU 91 1HD1 LEU 91 4.121 12.216 -8.264 713 2HD1 LEU 91 2HD1 LEU 91 3.887 11.696 -6.578 714 3HD1 LEU 91 3HD1 LEU 91 5.224 12.796 -6.991 715 1HD2 LEU 91 1HD2 LEU 91 7.034 12.207 -8.114 716 2HD2 LEU 91 2HD2 LEU 91 7.543 11.065 -6.846 717 3HD2 LEU 91 3HD2 LEU 91 7.456 10.532 -8.542 718 H TRP 92 H TRP 92 5.395 6.234 -5.963 719 HA TRP 92 HA TRP 92 6.882 5.788 -3.562 720 1HB TRP 92 1HB TRP 92 5.319 7.240 -2.542 721 2HB TRP 92 2HB TRP 92 3.967 6.530 -3.401 722 HD1 TRP 92 HD TRP 92 6.413 5.645 -0.517 723 HE1 TRP 92 1HE TRP 92 5.354 3.840 1.092 724 HE3 TRP 92 3HE TRP 92 2.263 4.805 -3.332 725 HZ2 TRP 92 2HZ TRP 92 2.954 2.298 1.008 726 HZ3 TRP 92 3HZ TRP 92 0.612 3.134 -2.498 727 HH2 TRP 92 HH TRP 92 0.905 1.901 -0.408 728 H GLU 93 H GLU 93 6.787 3.545 -2.998 729 HA GLU 93 HA GLU 93 4.879 1.915 -4.375 730 1HB GLU 93 1HB GLU 93 6.588 2.087 -6.109 731 2HB GLU 93 2HB GLU 93 7.861 1.715 -4.965 732 1HG GLU 93 1HG GLU 93 6.373 -0.493 -4.563 733 2HG GLU 93 2HG GLU 93 5.800 -0.122 -6.177 734 H GLN 94 H GLN 94 4.250 0.314 -2.983 735 HA GLN 94 HA GLN 94 6.220 -0.501 -0.998 736 1HB GLN 94 1HB GLN 94 3.609 0.755 -0.575 737 2HB GLN 94 2HB GLN 94 3.686 -0.809 0.212 738 1HG GLN 94 1HG GLN 94 5.885 1.284 0.510 739 2HG GLN 94 2HG GLN 94 4.509 1.204 1.592 740 1HE2 GLN 94 1HE2 GLN 94 4.032 -1.323 2.091 741 2HE2 GLN 94 2HE2 GLN 94 5.379 -2.149 2.799 742 H GLU 95 H GLU 95 6.366 -2.725 -0.634 743 HA GLU 95 HA GLU 95 4.804 -4.315 -2.460 744 1HB GLU 95 1HB GLU 95 7.396 -4.601 -1.015 745 2HB GLU 95 2HB GLU 95 6.490 -6.088 -1.206 746 1HG GLU 95 1HG GLU 95 6.656 -6.068 -3.532 747 2HG GLU 95 2HG GLU 95 6.706 -4.318 -3.626 748 H LEU 96 H LEU 96 2.741 -4.075 -1.296 749 HA LEU 96 HA LEU 96 2.189 -4.504 1.279 750 1HB LEU 96 1HB LEU 96 0.649 -5.673 -1.042 751 2HB LEU 96 2HB LEU 96 0.025 -5.385 0.569 752 HG LEU 96 HG LEU 96 0.976 -3.258 -1.369 753 1HD1 LEU 96 1HD1 LEU 96 -1.091 -4.186 -2.143 754 2HD1 LEU 96 2HD1 LEU 96 -1.801 -4.108 -0.512 755 3HD1 LEU 96 3HD1 LEU 96 -1.436 -2.607 -1.398 756 1HD2 LEU 96 1HD2 LEU 96 0.072 -1.642 0.253 757 2HD2 LEU 96 2HD2 LEU 96 -0.241 -2.974 1.391 758 3HD2 LEU 96 3HD2 LEU 96 1.430 -2.581 0.919 759 H TYR 97 H TYR 97 2.129 -6.157 2.776 760 HA TYR 97 HA TYR 97 2.977 -8.792 1.774 761 1HB TYR 97 1HB TYR 97 3.898 -8.686 4.350 762 2HB TYR 97 2HB TYR 97 4.863 -8.089 3.014 763 HD1 TYR 97 1HD TYR 97 2.221 -6.886 5.395 764 HD2 TYR 97 2HD TYR 97 5.741 -5.941 3.156 765 HE1 TYR 97 1HE TYR 97 2.295 -4.583 6.469 766 HE2 TYR 97 2HE TYR 97 5.803 -3.642 4.238 767 HH TYR 97 HH TYR 97 3.167 -2.409 6.001 768 H ASN 98 H ASN 98 2.279 -10.637 3.117 769 HA ASN 98 HA ASN 98 0.656 -11.790 3.992 770 1HB ASN 98 1HB ASN 98 1.631 -10.096 5.973 771 2HB ASN 98 2HB ASN 98 -0.088 -9.770 6.064 772 1HD2 ASN 98 1HD2 ASN 98 2.451 -12.061 6.536 773 2HD2 ASN 98 2HD2 ASN 98 1.540 -13.310 7.317 774 H ASN 99 H ASN 99 -1.806 -11.340 5.193 775 HA ASN 99 HA ASN 99 -3.423 -10.645 3.132 776 1HB ASN 99 1HB ASN 99 -3.711 -11.408 5.885 777 2HB ASN 99 2HB ASN 99 -4.714 -9.986 5.670 778 1HD2 ASN 99 1HD2 ASN 99 -6.539 -11.301 5.996 779 2HD2 ASN 99 2HD2 ASN 99 -7.192 -12.301 4.741 780 H PHE 100 H PHE 100 -1.710 -8.642 5.480 781 HA PHE 100 HA PHE 100 -1.585 -6.470 5.837 782 1HB PHE 100 1HB PHE 100 -1.021 -6.346 3.456 783 2HB PHE 100 2HB PHE 100 -2.686 -6.619 2.981 784 HD1 PHE 100 1HD PHE 100 -0.208 -4.159 3.847 785 HD2 PHE 100 2HD PHE 100 -4.375 -4.793 3.360 786 HE1 PHE 100 1HE PHE 100 -0.565 -1.679 3.676 787 HE2 PHE 100 2HE PHE 100 -4.732 -2.314 3.189 788 HZ PHE 100 HZ PHE 100 -2.823 -0.787 3.349 789 H VAL 101 H VAL 101 -2.765 -4.610 6.580 790 HA VAL 101 HA VAL 101 -5.680 -4.933 6.421 791 HB VAL 101 HB VAL 101 -4.954 -5.712 8.573 792 1HG1 VAL 101 1HG1 VAL 101 -2.860 -4.892 9.059 793 2HG1 VAL 101 2HG1 VAL 101 -3.259 -3.240 8.531 794 3HG1 VAL 101 3HG1 VAL 101 -3.856 -3.842 10.096 795 1HG2 VAL 101 1HG2 VAL 101 -6.182 -4.168 10.042 796 2HG2 VAL 101 2HG2 VAL 101 -6.108 -2.910 8.786 797 3HG2 VAL 101 3HG2 VAL 101 -7.028 -4.405 8.495 798 H TYR 102 H TYR 102 -6.887 -2.884 6.669 799 HA TYR 102 HA TYR 102 -5.226 -0.589 5.872 800 1HB TYR 102 1HB TYR 102 -7.156 -1.991 4.420 801 2HB TYR 102 2HB TYR 102 -8.164 -0.795 5.209 802 HD1 TYR 102 1HD TYR 102 -4.668 -0.346 3.971 803 HD2 TYR 102 2HD TYR 102 -8.805 0.593 3.415 804 HE1 TYR 102 1HE TYR 102 -4.050 1.357 2.187 805 HE2 TYR 102 2HE TYR 102 -8.173 2.293 1.634 806 HH TYR 102 HH TYR 102 -6.558 3.328 0.630 807 H ASN 103 H ASN 103 -5.227 1.032 7.340 808 HA ASN 103 HA ASN 103 -7.258 0.973 9.369 809 1HB ASN 103 1HB ASN 103 -4.530 1.741 9.266 810 2HB ASN 103 2HB ASN 103 -5.391 3.256 9.452 811 1HD2 ASN 103 1HD2 ASN 103 -3.906 0.895 11.087 812 2HD2 ASN 103 2HD2 ASN 103 -4.731 0.932 12.609 813 H SER 104 H SER 104 -8.569 2.940 9.866 814 HA SER 104 HA SER 104 -8.461 5.131 8.084 815 1HB SER 104 1HB SER 104 -9.707 3.921 6.510 816 2HB SER 104 2HB SER 104 -10.564 3.002 7.730 817 HG SER 104 HG SER 104 -11.167 5.510 6.613 818 HA PRO 105 HA PRO 105 -10.213 5.857 12.207 819 1HB PRO 105 1HB PRO 105 -8.474 7.813 12.994 820 2HB PRO 105 2HB PRO 105 -8.246 6.118 13.375 821 1HG PRO 105 1HG PRO 105 -6.835 7.774 11.373 822 2HG PRO 105 2HG PRO 105 -6.354 6.236 12.061 823 1HD PRO 105 1HD PRO 105 -7.463 6.678 9.454 824 2HD PRO 105 2HD PRO 105 -7.089 5.130 10.185 825 H ARG 106 H ARG 106 -9.639 7.695 9.434 826 HA ARG 106 HA ARG 106 -11.472 9.700 10.469 827 1HB ARG 106 1HB ARG 106 -9.011 10.059 9.236 828 2HB ARG 106 2HB ARG 106 -10.100 10.230 7.874 829 1HG ARG 106 1HG ARG 106 -9.928 12.436 8.733 830 2HG ARG 106 2HG ARG 106 -11.461 11.866 9.361 831 1HD ARG 106 1HD ARG 106 -9.060 11.306 11.071 832 2HD ARG 106 2HD ARG 106 -9.522 12.991 10.929 833 HE ARG 106 HE ARG 106 -11.936 11.830 11.463 834 1HH1 ARG 106 2HH2 ARG 106 -8.788 11.458 12.992 835 2HH1 ARG 106 1HH2 ARG 106 -9.446 11.093 14.552 836 1HH2 ARG 106 2HH1 ARG 106 -12.804 11.348 13.522 837 2HH2 ARG 106 1HH1 ARG 106 -11.746 11.031 14.855 838 H GLY 107 H GLY 107 -12.448 10.796 8.087 839 1HA GLY 107 1HA GLY 107 -14.315 8.782 7.252 840 2HA GLY 107 2HA GLY 107 -14.237 10.455 6.736 841 H TYR 108 H TYR 108 -11.795 10.802 5.567 842 HA TYR 108 HA TYR 108 -11.600 8.639 3.587 843 1HB TYR 108 1HB TYR 108 -11.279 10.591 1.943 844 2HB TYR 108 2HB TYR 108 -12.886 10.534 2.640 845 HD1 TYR 108 1HD TYR 108 -13.387 12.063 4.649 846 HD2 TYR 108 2HD TYR 108 -9.939 12.522 2.158 847 HE1 TYR 108 1HE TYR 108 -13.116 14.460 5.452 848 HE2 TYR 108 2HE TYR 108 -9.680 14.918 2.969 849 HH TYR 108 HH TYR 108 -10.287 16.329 4.627 850 H PHE 109 H PHE 109 -9.931 8.772 5.845 851 HA PHE 109 HA PHE 109 -7.423 9.468 4.530 852 1HB PHE 109 1HB PHE 109 -8.373 11.260 6.214 853 2HB PHE 109 2HB PHE 109 -8.095 10.066 7.465 854 HD1 PHE 109 1HD PHE 109 -6.156 11.439 4.573 855 HD2 PHE 109 2HD PHE 109 -6.186 10.413 8.691 856 HE1 PHE 109 1HE PHE 109 -3.778 12.214 4.783 857 HE2 PHE 109 2HE PHE 109 -3.808 11.189 8.902 858 HZ PHE 109 HZ PHE 109 -2.633 12.080 6.946 859 H HIS 110 H HIS 110 -6.562 7.435 4.309 860 HA HIS 110 HA HIS 110 -6.815 5.645 6.597 861 1HB HIS 110 1HB HIS 110 -5.803 4.944 3.837 862 2HB HIS 110 2HB HIS 110 -6.347 3.853 5.096 863 HD2 HIS 110 2HD HIS 110 -9.146 6.056 5.433 864 HE1 HIS 110 1HE HIS 110 -10.108 4.057 1.802 865 HE2 HIS 110 2HE HIS 110 -10.993 5.473 3.779 866 H THR 111 H THR 111 -5.036 4.938 7.763 867 HA THR 111 HA THR 111 -2.499 6.238 7.040 868 HB THR 111 HB THR 111 -2.083 5.686 9.575 869 HG1 THR 111 1HG THR 111 -3.832 4.370 10.094 870 1HG2 THR 111 1HG2 THR 111 -4.199 7.659 8.598 871 2HG2 THR 111 2HG2 THR 111 -3.727 7.560 10.311 872 3HG2 THR 111 3HG2 THR 111 -2.522 8.008 9.081 873 H PHE 112 H PHE 112 -0.513 5.071 7.200 874 HA PHE 112 HA PHE 112 -0.781 2.187 7.410 875 1HB PHE 112 1HB PHE 112 -1.091 2.669 5.005 876 2HB PHE 112 2HB PHE 112 0.222 3.830 5.018 877 HD1 PHE 112 1HD PHE 112 -0.367 0.209 5.731 878 HD2 PHE 112 2HD PHE 112 2.266 3.158 4.187 879 HE1 PHE 112 1HE PHE 112 1.230 -1.590 5.017 880 HE2 PHE 112 2HE PHE 112 3.863 1.358 3.473 881 HZ PHE 112 HZ PHE 112 3.325 -0.995 3.897 882 H ALA 113 H ALA 113 1.514 1.144 7.233 883 HA ALA 113 HA ALA 113 3.250 2.767 8.903 884 1HB ALA 113 1HB ALA 113 4.257 0.714 9.521 885 2HB ALA 113 2HB ALA 113 2.525 0.332 9.365 886 3HB ALA 113 3HB ALA 113 3.657 -0.118 8.066 887 H GLY 114 H GLY 114 4.852 3.964 8.016 888 1HA GLY 114 1HA GLY 114 5.588 3.534 5.247 889 2HA GLY 114 2HA GLY 114 6.104 4.829 6.309 890 H ASP 115 H ASP 115 8.184 4.072 4.994 891 HA ASP 115 HA ASP 115 9.499 1.817 5.308 892 1HB ASP 115 1HB ASP 115 10.193 4.579 4.869 893 2HB ASP 115 2HB ASP 115 11.377 3.918 5.981 894 H THR 116 H THR 116 10.263 4.608 7.527 895 HA THR 116 HA THR 116 10.371 2.690 9.759 896 HB THR 116 HB THR 116 12.667 3.170 9.095 897 HG1 THR 116 1HG THR 116 11.849 5.088 11.154 898 1HG2 THR 116 1HG2 THR 116 12.969 5.127 7.905 899 2HG2 THR 116 2HG2 THR 116 11.557 5.905 8.658 900 3HG2 THR 116 3HG2 THR 116 13.117 5.871 9.515 901 H CYS 117 H CYS 117 8.774 5.284 8.409 902 HA CYS 117 HA CYS 117 8.007 6.187 11.086 903 1HB CYS 117 1HB CYS 117 8.708 7.853 8.679 904 2HB CYS 117 2HB CYS 117 7.527 8.444 9.831 905 HG CYS 117 HG CYS 117 9.266 7.602 11.905 906 H GLN 118 H GLN 118 5.706 6.996 11.133 907 HA GLN 118 HA GLN 118 4.085 5.260 9.614 908 1HB GLN 118 1HB GLN 118 3.691 6.077 12.017 909 2HB GLN 118 2HB GLN 118 3.165 7.602 11.330 910 1HG GLN 118 1HG GLN 118 1.878 5.304 10.005 911 2HG GLN 118 2HG GLN 118 1.573 5.315 11.731 912 1HE2 GLN 118 1HE2 GLN 118 1.172 7.644 12.601 913 2HE2 GLN 118 2HE2 GLN 118 -0.014 8.571 11.745 914 H VAL 119 H VAL 119 2.907 5.647 7.751 915 HA VAL 119 HA VAL 119 3.012 8.405 6.737 916 HB VAL 119 HB VAL 119 2.968 7.328 4.480 917 1HG1 VAL 119 1HG1 VAL 119 5.228 7.264 6.405 918 2HG1 VAL 119 2HG1 VAL 119 5.454 6.349 4.895 919 3HG1 VAL 119 3HG1 VAL 119 5.077 8.087 4.835 920 1HG2 VAL 119 1HG2 VAL 119 2.099 5.126 5.155 921 2HG2 VAL 119 2HG2 VAL 119 3.637 4.980 4.270 922 3HG2 VAL 119 3HG2 VAL 119 3.610 4.803 6.041 923 H ALA 120 H ALA 120 1.128 9.187 5.632 924 HA ALA 120 HA ALA 120 -1.247 7.506 6.038 925 1HB ALA 120 1HB ALA 120 -2.375 9.827 6.454 926 2HB ALA 120 2HB ALA 120 -1.449 9.072 7.774 927 3HB ALA 120 3HB ALA 120 -0.721 10.381 6.811 928 H LEU 121 H LEU 121 -3.102 8.207 4.591 929 HA LEU 121 HA LEU 121 -2.125 9.520 2.166 930 1HB LEU 121 1HB LEU 121 -3.316 7.804 0.823 931 2HB LEU 121 2HB LEU 121 -1.866 7.244 1.634 932 HG LEU 121 HG LEU 121 -4.474 6.819 3.026 933 1HD1 LEU 121 1HD1 LEU 121 -5.098 4.922 1.758 934 2HD1 LEU 121 2HD1 LEU 121 -4.822 6.234 0.587 935 3HD1 LEU 121 3HD1 LEU 121 -3.594 4.964 0.808 936 1HD2 LEU 121 1HD2 LEU 121 -2.234 6.207 3.990 937 2HD2 LEU 121 2HD2 LEU 121 -3.410 4.874 3.894 938 3HD2 LEU 121 3HD2 LEU 121 -2.090 4.985 2.704 939 H ASN 122 H ASN 122 -3.598 10.904 1.219 940 HA ASN 122 HA ASN 122 -6.232 10.896 2.468 941 1HB ASN 122 1HB ASN 122 -4.599 12.842 3.091 942 2HB ASN 122 2HB ASN 122 -4.810 13.398 1.442 943 1HD2 ASN 122 1HD2 ASN 122 -5.881 15.244 1.854 944 2HD2 ASN 122 2HD2 ASN 122 -7.470 15.346 2.537 945 H PHE 123 H PHE 123 -7.799 10.498 0.898 946 HA PHE 123 HA PHE 123 -7.079 10.598 -1.862 947 1HB PHE 123 1HB PHE 123 -9.802 10.262 -0.473 948 2HB PHE 123 2HB PHE 123 -9.408 9.722 -2.092 949 HD1 PHE 123 1HD PHE 123 -8.149 7.691 -2.454 950 HD2 PHE 123 2HD PHE 123 -8.963 9.048 1.483 951 HE1 PHE 123 1HE PHE 123 -7.477 5.451 -1.544 952 HE2 PHE 123 2HE PHE 123 -8.291 6.808 2.394 953 HZ PHE 123 HZ PHE 123 -7.555 5.036 0.870 954 H ALA 124 H ALA 124 -8.495 11.721 -3.514 955 HA ALA 124 HA ALA 124 -8.817 14.471 -2.690 956 1HB ALA 124 1HB ALA 124 -8.886 14.935 -5.027 957 2HB ALA 124 2HB ALA 124 -7.681 13.639 -4.835 958 3HB ALA 124 3HB ALA 124 -9.315 13.254 -5.427 959 H ASN 125 H ASN 125 -10.778 11.630 -3.626 960 HA ASN 125 HA ASN 125 -13.135 13.292 -3.216 961 1HB ASN 125 1HB ASN 125 -12.518 10.962 -5.016 962 2HB ASN 125 2HB ASN 125 -14.132 10.992 -4.335 963 1HD2 ASN 125 1HD2 ASN 125 -11.803 12.633 -6.350 964 2HD2 ASN 125 2HD2 ASN 125 -12.889 13.715 -7.157 965 H GLU 126 H GLU 126 -14.914 12.271 -1.930 966 HA GLU 126 HA GLU 126 -13.871 10.781 0.227 967 1HB GLU 126 1HB GLU 126 -15.670 12.527 0.423 968 2HB GLU 126 2HB GLU 126 -16.769 11.465 -0.433 969 1HG GLU 126 1HG GLU 126 -17.142 10.170 1.411 970 2HG GLU 126 2HG GLU 126 -15.439 10.095 1.816 971 H GLU 127 H GLU 127 -16.272 10.105 -2.410 972 HA GLU 127 HA GLU 127 -16.897 7.559 -1.663 973 1HB GLU 127 1HB GLU 127 -17.235 9.251 -3.981 974 2HB GLU 127 2HB GLU 127 -16.800 7.645 -4.530 975 1HG GLU 127 1HG GLU 127 -18.766 6.705 -3.786 976 2HG GLU 127 2HG GLU 127 -18.803 7.676 -2.328 977 H GLU 128 H GLU 128 -14.240 8.696 -3.856 978 HA GLU 128 HA GLU 128 -13.293 6.250 -4.580 979 1HB GLU 128 1HB GLU 128 -12.280 9.016 -4.490 980 2HB GLU 128 2HB GLU 128 -10.995 7.835 -4.328 981 1HG GLU 128 1HG GLU 128 -12.230 6.636 -6.361 982 2HG GLU 128 2HG GLU 128 -12.934 8.221 -6.621 983 H ALA 129 H ALA 129 -12.947 8.005 -1.509 984 HA ALA 129 HA ALA 129 -10.827 6.338 -0.551 985 1HB ALA 129 1HB ALA 129 -11.544 8.809 0.066 986 2HB ALA 129 2HB ALA 129 -12.625 7.987 1.216 987 3HB ALA 129 3HB ALA 129 -10.867 7.731 1.311 988 H LYS 130 H LYS 130 -14.405 6.452 -0.387 989 HA LYS 130 HA LYS 130 -14.549 4.397 1.587 990 1HB LYS 130 1HB LYS 130 -16.474 5.983 -0.057 991 2HB LYS 130 2HB LYS 130 -17.031 4.458 0.603 992 1HG LYS 130 1HG LYS 130 -16.885 5.187 2.805 993 2HG LYS 130 2HG LYS 130 -15.515 6.231 2.488 994 1HD LYS 130 1HD LYS 130 -16.837 8.032 1.922 995 2HD LYS 130 2HD LYS 130 -18.023 7.041 1.097 996 1HE LYS 130 1HE LYS 130 -19.228 7.775 2.982 997 2HE LYS 130 2HE LYS 130 -18.675 6.195 3.499 998 1HZ LYS 130 1HZ LYS 130 -18.033 8.709 4.563 999 2HZ LYS 130 2HZ LYS 130 -17.711 7.227 5.170 1000 3HZ LYS 130 3HZ LYS 130 -16.663 7.930 4.134 1001 H LYS 131 H LYS 131 -14.387 4.599 -1.953 1002 HA LYS 131 HA LYS 131 -15.237 1.892 -2.324 1003 1HB LYS 131 1HB LYS 131 -13.808 3.660 -4.319 1004 2HB LYS 131 2HB LYS 131 -14.853 2.291 -4.643 1005 1HG LYS 131 1HG LYS 131 -16.210 4.302 -2.980 1006 2HG LYS 131 2HG LYS 131 -15.630 5.000 -4.478 1007 1HD LYS 131 1HD LYS 131 -17.121 2.355 -4.509 1008 2HD LYS 131 2HD LYS 131 -18.009 3.864 -4.423 1009 1HE LYS 131 1HE LYS 131 -16.588 4.612 -6.482 1010 2HE LYS 131 2HE LYS 131 -16.139 2.925 -6.634 1011 1HZ LYS 131 1HZ LYS 131 -18.104 3.542 -7.922 1012 2HZ LYS 131 2HZ LYS 131 -18.421 2.348 -6.853 1013 3HZ LYS 131 3HZ LYS 131 -18.918 3.872 -6.546 1014 H PHE 132 H PHE 132 -12.232 3.618 -1.654 1015 HA PHE 132 HA PHE 132 -10.476 1.651 -2.624 1016 1HB PHE 132 1HB PHE 132 -10.430 4.218 -1.440 1017 2HB PHE 132 2HB PHE 132 -9.707 3.215 -0.197 1018 HD1 PHE 132 1HD PHE 132 -7.566 2.113 -0.574 1019 HD2 PHE 132 2HD PHE 132 -9.306 4.572 -3.563 1020 HE1 PHE 132 1HE PHE 132 -5.367 2.202 -1.781 1021 HE2 PHE 132 2HE PHE 132 -7.107 4.662 -4.769 1022 HZ PHE 132 HZ PHE 132 -5.163 3.476 -3.864 1023 H ARG 133 H ARG 133 -11.596 2.411 0.756 1024 HA ARG 133 HA ARG 133 -10.295 0.269 1.892 1025 1HB ARG 133 1HB ARG 133 -11.754 2.400 2.829 1026 2HB ARG 133 2HB ARG 133 -12.906 1.108 3.106 1027 1HG ARG 133 1HG ARG 133 -10.646 -0.089 4.076 1028 2HG ARG 133 2HG ARG 133 -10.241 1.587 4.389 1029 1HD ARG 133 1HD ARG 133 -11.652 1.644 6.169 1030 2HD ARG 133 2HD ARG 133 -13.001 1.154 5.165 1031 HE ARG 133 HE ARG 133 -11.232 -1.074 5.832 1032 1HH1 ARG 133 2HH2 ARG 133 -13.951 0.858 6.953 1033 2HH1 ARG 133 1HH2 ARG 133 -14.559 -0.377 8.004 1034 1HH2 ARG 133 2HH1 ARG 133 -12.033 -2.704 7.220 1035 2HH2 ARG 133 1HH1 ARG 133 -13.461 -2.416 8.158 1036 H LYS 134 H LYS 134 -13.353 0.530 0.123 1037 HA LYS 134 HA LYS 134 -14.466 -1.898 1.094 1038 1HB LYS 134 1HB LYS 134 -15.239 0.288 -0.614 1039 2HB LYS 134 2HB LYS 134 -15.563 -1.225 -1.436 1040 1HG LYS 134 1HG LYS 134 -16.587 -1.991 0.872 1041 2HG LYS 134 2HG LYS 134 -16.618 -0.280 1.248 1042 1HD LYS 134 1HD LYS 134 -18.710 -0.468 0.263 1043 2HD LYS 134 2HD LYS 134 -17.768 -0.102 -1.168 1044 1HE LYS 134 1HE LYS 134 -17.646 -2.447 -1.800 1045 2HE LYS 134 2HE LYS 134 -18.280 -2.966 -0.251 1046 1HZ LYS 134 1HZ LYS 134 -19.800 -2.681 -2.333 1047 2HZ LYS 134 2HZ LYS 134 -20.362 -2.378 -0.831 1048 3HZ LYS 134 3HZ LYS 134 -19.908 -1.143 -1.797 1049 H ALA 135 H ALA 135 -12.560 -0.910 -1.810 1050 HA ALA 135 HA ALA 135 -12.667 -3.403 -3.073 1051 1HB ALA 135 1HB ALA 135 -10.233 -2.176 -3.762 1052 2HB ALA 135 2HB ALA 135 -11.789 -2.010 -4.608 1053 3HB ALA 135 3HB ALA 135 -11.325 -0.830 -3.359 1054 H VAL 136 H VAL 136 -10.387 -1.966 -0.672 1055 HA VAL 136 HA VAL 136 -8.565 -4.095 -0.723 1056 HB VAL 136 HB VAL 136 -9.215 -1.812 1.087 1057 1HG1 VAL 136 1HG1 VAL 136 -8.786 -3.314 2.814 1058 2HG1 VAL 136 2HG1 VAL 136 -7.609 -4.243 1.855 1059 3HG1 VAL 136 3HG1 VAL 136 -7.174 -2.637 2.484 1060 1HG2 VAL 136 1HG2 VAL 136 -6.995 -2.668 -0.723 1061 2HG2 VAL 136 2HG2 VAL 136 -7.767 -1.076 -0.527 1062 3HG2 VAL 136 3HG2 VAL 136 -6.588 -1.648 0.678 1063 H THR 137 H THR 137 -11.313 -3.326 1.526 1064 HA THR 137 HA THR 137 -11.070 -5.595 3.105 1065 HB THR 137 HB THR 137 -13.548 -5.065 3.554 1066 HG1 THR 137 1HG THR 137 -14.435 -3.876 1.915 1067 1HG2 THR 137 1HG2 THR 137 -12.389 -3.677 5.009 1068 2HG2 THR 137 2HG2 THR 137 -11.279 -3.115 3.736 1069 3HG2 THR 137 3HG2 THR 137 -12.909 -2.413 3.869 1070 H ASP 138 H ASP 138 -12.954 -5.108 0.060 1071 HA ASP 138 HA ASP 138 -14.201 -7.522 0.049 1072 1HB ASP 138 1HB ASP 138 -13.555 -5.414 -1.854 1073 2HB ASP 138 2HB ASP 138 -13.388 -6.970 -2.643 1074 H LEU 139 H LEU 139 -10.922 -6.554 -1.155 1075 HA LEU 139 HA LEU 139 -10.304 -9.119 -2.198 1076 1HB LEU 139 1HB LEU 139 -9.120 -6.489 -2.051 1077 2HB LEU 139 2HB LEU 139 -7.931 -7.715 -1.657 1078 HG LEU 139 HG LEU 139 -8.392 -8.871 -3.779 1079 1HD1 LEU 139 1HD1 LEU 139 -10.484 -6.732 -4.057 1080 2HD1 LEU 139 2HD1 LEU 139 -9.730 -7.453 -5.501 1081 3HD1 LEU 139 3HD1 LEU 139 -10.603 -8.485 -4.342 1082 1HD2 LEU 139 1HD2 LEU 139 -7.898 -6.292 -4.968 1083 2HD2 LEU 139 2HD2 LEU 139 -7.046 -6.428 -3.412 1084 3HD2 LEU 139 3HD2 LEU 139 -6.778 -7.646 -4.681 1085 H LEU 140 H LEU 140 -9.578 -7.361 0.874 1086 HA LEU 140 HA LEU 140 -7.936 -9.349 1.946 1087 1HB LEU 140 1HB LEU 140 -9.269 -6.903 2.822 1088 2HB LEU 140 2HB LEU 140 -9.158 -8.104 4.093 1089 HG LEU 140 HG LEU 140 -6.720 -8.238 3.775 1090 1HD1 LEU 140 1HD1 LEU 140 -5.953 -7.695 1.745 1091 2HD1 LEU 140 2HD1 LEU 140 -7.341 -6.636 1.394 1092 3HD1 LEU 140 3HD1 LEU 140 -5.969 -6.021 2.347 1093 1HD2 LEU 140 1HD2 LEU 140 -8.141 -5.769 4.573 1094 2HD2 LEU 140 2HD2 LEU 140 -7.006 -6.796 5.481 1095 3HD2 LEU 140 3HD2 LEU 140 -6.388 -5.608 4.307 1096 H GLY 141 H GLY 141 -11.456 -9.027 1.645 1097 1HA GLY 141 1HA GLY 141 -12.133 -10.968 3.613 1098 2HA GLY 141 2HA GLY 141 -13.156 -10.340 2.336 1099 H ARG 142 H ARG 142 -11.562 -11.035 0.039 1100 HA ARG 142 HA ARG 142 -12.422 -13.640 -0.301 1101 1HB ARG 142 1HB ARG 142 -10.724 -11.692 -1.842 1102 2HB ARG 142 2HB ARG 142 -10.608 -13.374 -2.322 1103 1HG ARG 142 1HG ARG 142 -12.780 -13.448 -3.119 1104 2HG ARG 142 2HG ARG 142 -13.388 -12.364 -1.883 1105 1HD ARG 142 1HD ARG 142 -12.733 -10.419 -3.069 1106 2HD ARG 142 2HD ARG 142 -11.518 -11.270 -4.002 1107 HE ARG 142 HE ARG 142 -14.260 -12.206 -4.492 1108 1HH1 ARG 142 2HH2 ARG 142 -11.750 -9.935 -5.453 1109 2HH1 ARG 142 1HH2 ARG 142 -12.405 -9.684 -7.037 1110 1HH2 ARG 142 2HH1 ARG 142 -15.126 -11.875 -6.582 1111 2HH2 ARG 142 1HH1 ARG 142 -14.339 -10.795 -7.682 1112 H ARG 143 H ARG 143 -9.166 -12.209 0.366 1113 HA ARG 143 HA ARG 143 -7.215 -13.160 0.689 1114 1HB ARG 143 1HB ARG 143 -7.232 -14.722 2.718 1115 2HB ARG 143 2HB ARG 143 -8.062 -13.197 2.954 1116 1HG ARG 143 1HG ARG 143 -10.248 -14.301 2.463 1117 2HG ARG 143 2HG ARG 143 -9.425 -15.825 2.196 1118 1HD ARG 143 1HD ARG 143 -9.959 -16.138 4.426 1119 2HD ARG 143 2HD ARG 143 -8.441 -15.295 4.661 1120 HE ARG 143 HE ARG 143 -10.599 -13.393 4.404 1121 1HH1 ARG 143 2HH2 ARG 143 -9.189 -15.690 6.666 1122 2HH1 ARG 143 1HH2 ARG 143 -9.760 -14.851 8.071 1123 1HH2 ARG 143 2HH1 ARG 143 -11.353 -12.287 6.256 1124 2HH2 ARG 143 1HH1 ARG 143 -10.999 -12.903 7.836 1125 H GLN 144 H GLN 144 -8.007 -14.245 -1.660 1126 HA GLN 144 HA GLN 144 -7.678 -15.904 -3.022 1127 1HB GLN 144 1HB GLN 144 -5.509 -16.224 -1.915 1128 2HB GLN 144 2HB GLN 144 -6.246 -17.206 -0.665 1129 1HG GLN 144 1HG GLN 144 -6.921 -18.235 -3.327 1130 2HG GLN 144 2HG GLN 144 -5.184 -18.106 -3.134 1131 1HE2 GLN 144 1HE2 GLN 144 -4.262 -18.969 -1.101 1132 2HE2 GLN 144 2HE2 GLN 144 -4.911 -20.435 -0.446 Start of MODEL 6 1 1H ASP 1 H ASP 1 -7.564 17.940 11.891 2 HA ASP 1 HA ASP 1 -9.993 17.136 10.583 3 1HB ASP 1 1HB ASP 1 -8.024 19.035 9.441 4 2HB ASP 1 2HB ASP 1 -8.324 17.657 8.400 5 H LEU 2 H LEU 2 -6.397 17.260 9.948 6 HA LEU 2 HA LEU 2 -6.267 14.621 9.014 7 1HB LEU 2 1HB LEU 2 -4.273 16.675 9.903 8 2HB LEU 2 2HB LEU 2 -3.751 15.035 9.572 9 HG LEU 2 HG LEU 2 -3.373 16.365 7.620 10 1HD1 LEU 2 1HD1 LEU 2 -5.688 15.101 6.433 11 2HD1 LEU 2 2HD1 LEU 2 -3.962 14.695 6.281 12 3HD1 LEU 2 3HD1 LEU 2 -4.917 14.027 7.626 13 1HD2 LEU 2 1HD2 LEU 2 -6.243 17.236 7.957 14 2HD2 LEU 2 2HD2 LEU 2 -4.772 18.233 7.863 15 3HD2 LEU 2 3HD2 LEU 2 -5.375 17.398 6.411 16 HA PRO 3 HA PRO 3 -6.220 12.424 12.735 17 1HB PRO 3 1HB PRO 3 -5.210 10.035 11.872 18 2HB PRO 3 2HB PRO 3 -6.891 10.492 11.677 19 1HG PRO 3 1HG PRO 3 -4.744 10.411 9.646 20 2HG PRO 3 2HG PRO 3 -6.480 10.445 9.408 21 1HD PRO 3 1HD PRO 3 -4.659 12.638 9.085 22 2HD PRO 3 2HD PRO 3 -6.407 12.699 8.960 23 HA PRO 4 HA PRO 4 -2.403 12.579 14.579 24 1HB PRO 4 1HB PRO 4 -2.567 10.740 16.594 25 2HB PRO 4 2HB PRO 4 -3.264 12.344 16.701 26 1HG PRO 4 1HG PRO 4 -4.626 9.756 16.272 27 2HG PRO 4 2HG PRO 4 -5.308 11.282 16.800 28 1HD PRO 4 1HD PRO 4 -5.507 10.125 14.181 29 2HD PRO 4 2HD PRO 4 -6.090 11.702 14.678 30 HA PRO 5 HA PRO 5 0.094 9.676 12.717 31 1HB PRO 5 1HB PRO 5 2.543 10.659 13.425 32 2HB PRO 5 2HB PRO 5 1.625 11.266 12.061 33 1HG PRO 5 1HG PRO 5 2.041 12.504 14.713 34 2HG PRO 5 2HG PRO 5 1.505 13.255 13.223 35 1HD PRO 5 1HD PRO 5 -0.131 12.538 15.468 36 2HD PRO 5 2HD PRO 5 -0.680 13.181 13.933 37 H GLU 6 H GLU 6 0.611 7.622 13.163 38 HA GLU 6 HA GLU 6 1.151 7.189 15.989 39 1HB GLU 6 1HB GLU 6 -0.748 5.915 15.436 40 2HB GLU 6 2HB GLU 6 -0.154 5.524 13.834 41 1HG GLU 6 1HG GLU 6 1.022 3.700 14.574 42 2HG GLU 6 2HG GLU 6 1.613 4.535 15.998 43 HA PRO 7 HA PRO 7 5.192 6.064 14.805 44 1HB PRO 7 1HB PRO 7 6.106 5.191 17.228 45 2HB PRO 7 2HB PRO 7 6.070 6.882 16.771 46 1HG PRO 7 1HG PRO 7 4.282 5.425 18.619 47 2HG PRO 7 2HG PRO 7 4.536 7.152 18.472 48 1HD PRO 7 1HD PRO 7 2.290 5.660 17.494 49 2HD PRO 7 2HD PRO 7 2.602 7.367 17.247 50 H TYR 8 H TYR 8 5.850 4.429 13.571 51 HA TYR 8 HA TYR 8 4.716 1.834 14.287 52 1HB TYR 8 1HB TYR 8 4.509 2.885 11.966 53 2HB TYR 8 2HB TYR 8 6.256 2.950 11.859 54 HD1 TYR 8 1HD TYR 8 7.317 1.272 10.661 55 HD2 TYR 8 2HD TYR 8 3.563 0.414 12.525 56 HE1 TYR 8 1HE TYR 8 7.334 -1.057 9.641 57 HE2 TYR 8 2HE TYR 8 3.592 -1.912 11.499 58 HH TYR 8 HH TYR 8 5.379 -2.751 8.992 59 H VAL 9 H VAL 9 5.972 0.006 14.714 60 HA VAL 9 HA VAL 9 8.724 0.608 15.426 61 HB VAL 9 HB VAL 9 7.202 -0.465 17.033 62 1HG1 VAL 9 1HG1 VAL 9 5.707 -1.835 15.959 63 2HG1 VAL 9 2HG1 VAL 9 6.922 -2.451 14.813 64 3HG1 VAL 9 3HG1 VAL 9 6.894 -3.052 16.488 65 1HG2 VAL 9 1HG2 VAL 9 9.731 -0.857 16.943 66 2HG2 VAL 9 2HG2 VAL 9 8.762 -2.023 17.875 67 3HG2 VAL 9 3HG2 VAL 9 9.345 -2.450 16.248 68 H GLN 10 H GLN 10 10.530 -0.523 14.584 69 HA GLN 10 HA GLN 10 10.094 -1.410 11.911 70 1HB GLN 10 1HB GLN 10 12.284 -0.343 13.463 71 2HB GLN 10 2HB GLN 10 12.809 -1.851 12.739 72 1HG GLN 10 1HG GLN 10 11.656 -0.870 10.548 73 2HG GLN 10 2HG GLN 10 11.834 0.668 11.370 74 1HE2 GLN 10 1HE2 GLN 10 13.853 1.509 11.806 75 2HE2 GLN 10 2HE2 GLN 10 15.307 0.940 11.056 76 H THR 11 H THR 11 12.169 -3.373 11.648 77 HA THR 11 HA THR 11 12.224 -5.615 11.585 78 HB THR 11 HB THR 11 13.398 -4.778 13.777 79 HG1 THR 11 1HG THR 11 13.523 -7.151 14.347 80 1HG2 THR 11 1HG2 THR 11 12.381 -5.950 15.803 81 2HG2 THR 11 2HG2 THR 11 11.459 -4.526 15.260 82 3HG2 THR 11 3HG2 THR 11 10.889 -6.164 14.855 83 H THR 12 H THR 12 11.204 -7.702 13.063 84 HA THR 12 HA THR 12 9.391 -9.015 12.942 85 HB THR 12 HB THR 12 9.102 -7.929 15.136 86 HG1 THR 12 1HG THR 12 6.726 -8.160 15.105 87 1HG2 THR 12 1HG2 THR 12 7.570 -5.825 13.522 88 2HG2 THR 12 2HG2 THR 12 7.482 -5.982 15.292 89 3HG2 THR 12 3HG2 THR 12 9.021 -5.543 14.513 90 H LYS 13 H LYS 13 9.715 -8.311 10.463 91 HA LYS 13 HA LYS 13 7.038 -8.111 9.501 92 1HB LYS 13 1HB LYS 13 7.773 -5.691 9.955 93 2HB LYS 13 2HB LYS 13 8.889 -5.892 8.618 94 1HG LYS 13 1HG LYS 13 6.334 -6.912 7.764 95 2HG LYS 13 2HG LYS 13 6.049 -5.358 8.522 96 1HD LYS 13 1HD LYS 13 8.239 -5.762 6.442 97 2HD LYS 13 2HD LYS 13 6.598 -5.344 5.992 98 1HE LYS 13 1HE LYS 13 6.697 -3.250 7.228 99 2HE LYS 13 2HE LYS 13 8.204 -3.703 8.002 100 1HZ LYS 13 1HZ LYS 13 9.148 -3.789 5.709 101 2HZ LYS 13 2HZ LYS 13 7.782 -3.074 5.171 102 3HZ LYS 13 3HZ LYS 13 8.744 -2.298 6.238 103 H SER 14 H SER 14 6.852 -9.148 7.529 104 HA SER 14 HA SER 14 9.229 -9.516 5.972 105 1HB SER 14 1HB SER 14 8.023 -11.679 7.641 106 2HB SER 14 2HB SER 14 8.397 -12.129 5.990 107 HG SER 14 HG SER 14 10.098 -12.019 8.023 108 H TYR 15 H TYR 15 8.727 -10.255 3.774 109 HA TYR 15 HA TYR 15 5.880 -9.898 3.152 110 1HB TYR 15 1HB TYR 15 8.468 -9.725 1.483 111 2HB TYR 15 2HB TYR 15 6.874 -9.303 0.889 112 HD1 TYR 15 1HD TYR 15 5.620 -7.513 2.556 113 HD2 TYR 15 2HD TYR 15 9.843 -7.947 2.026 114 HE1 TYR 15 1HE TYR 15 5.971 -5.118 3.335 115 HE2 TYR 15 2HE TYR 15 10.180 -5.550 2.807 116 HH TYR 15 HH TYR 15 8.984 -3.528 2.968 117 HA PRO 16 HA PRO 16 5.715 -13.959 1.669 118 1HB PRO 16 1HB PRO 16 3.629 -13.803 -0.090 119 2HB PRO 16 2HB PRO 16 3.413 -13.935 1.644 120 1HG PRO 16 1HG PRO 16 3.080 -11.564 -0.089 121 2HG PRO 16 2HG PRO 16 2.473 -11.832 1.532 122 1HD PRO 16 1HD PRO 16 4.719 -10.212 0.786 123 2HD PRO 16 2HD PRO 16 4.183 -10.573 2.415 124 H SER 17 H SER 17 5.710 -11.481 -0.813 125 HA SER 17 HA SER 17 6.445 -13.184 -2.863 126 1HB SER 17 1HB SER 17 5.589 -10.786 -3.032 127 2HB SER 17 2HB SER 17 7.195 -10.243 -2.589 128 HG SER 17 HG SER 17 6.293 -10.928 -5.039 129 H LYS 18 H LYS 18 8.285 -11.585 -0.270 130 HA LYS 18 HA LYS 18 10.694 -12.905 -1.302 131 1HB LYS 18 1HB LYS 18 10.239 -10.071 -0.834 132 2HB LYS 18 2HB LYS 18 11.552 -10.669 0.160 133 1HG LYS 18 1HG LYS 18 12.754 -11.519 -1.764 134 2HG LYS 18 2HG LYS 18 11.365 -11.312 -2.813 135 1HD LYS 18 1HD LYS 18 12.230 -9.286 -3.369 136 2HD LYS 18 2HD LYS 18 11.743 -8.739 -1.777 137 1HE LYS 18 1HE LYS 18 13.987 -9.581 -0.889 138 2HE LYS 18 2HE LYS 18 14.460 -9.902 -2.546 139 1HZ LYS 18 1HZ LYS 18 14.678 -7.731 -2.965 140 2HZ LYS 18 2HZ LYS 18 13.403 -7.275 -2.053 141 3HZ LYS 18 3HZ LYS 18 14.842 -7.591 -1.346 142 H LEU 19 H LEU 19 9.277 -14.473 0.232 143 HA LEU 19 HA LEU 19 10.064 -13.960 3.001 144 1HB LEU 19 1HB LEU 19 7.681 -14.773 1.905 145 2HB LEU 19 2HB LEU 19 8.388 -16.295 2.413 146 HG LEU 19 HG LEU 19 8.233 -13.953 4.306 147 1HD1 LEU 19 1HD1 LEU 19 6.024 -15.773 3.429 148 2HD1 LEU 19 2HD1 LEU 19 6.107 -15.263 5.133 149 3HD1 LEU 19 3HD1 LEU 19 5.988 -14.042 3.842 150 1HD2 LEU 19 1HD2 LEU 19 8.397 -15.603 6.025 151 2HD2 LEU 19 2HD2 LEU 19 8.192 -16.930 4.856 152 3HD2 LEU 19 3HD2 LEU 19 9.671 -15.939 4.828 153 H ALA 20 H ALA 20 11.596 -15.059 0.413 154 HA ALA 20 HA ALA 20 13.352 -16.383 0.135 155 1HB ALA 20 1HB ALA 20 14.653 -16.578 1.961 156 2HB ALA 20 2HB ALA 20 13.295 -15.930 2.911 157 3HB ALA 20 3HB ALA 20 13.500 -17.690 2.737 158 H ARG 21 H ARG 21 10.333 -17.216 0.166 159 HA ARG 21 HA ARG 21 10.078 -19.813 0.873 160 1HB ARG 21 1HB ARG 21 8.396 -19.872 -1.143 161 2HB ARG 21 2HB ARG 21 8.097 -18.731 0.153 162 1HG ARG 21 1HG ARG 21 8.273 -16.982 -1.278 163 2HG ARG 21 2HG ARG 21 9.881 -17.486 -1.760 164 1HD ARG 21 1HD ARG 21 8.678 -17.583 -3.794 165 2HD ARG 21 2HD ARG 21 8.665 -19.254 -3.265 166 HE ARG 21 HE ARG 21 6.368 -18.241 -2.114 167 1HH1 ARG 21 2HH2 ARG 21 7.633 -18.224 -5.399 168 2HH1 ARG 21 1HH2 ARG 21 6.067 -18.199 -6.138 169 1HH2 ARG 21 2HH1 ARG 21 4.302 -18.209 -3.090 170 2HH2 ARG 21 1HH1 ARG 21 4.159 -18.191 -4.815 171 H ASN 22 H ASN 22 11.601 -18.374 -2.036 172 HA ASN 22 HA ASN 22 12.920 -20.848 -2.520 173 1HB ASN 22 1HB ASN 22 10.540 -20.676 -3.822 174 2HB ASN 22 2HB ASN 22 11.505 -19.746 -4.951 175 1HD2 ASN 22 1HD2 ASN 22 10.250 -22.587 -4.697 176 2HD2 ASN 22 2HD2 ASN 22 11.472 -23.642 -5.325 177 H GLU 23 H GLU 23 14.659 -20.511 -4.244 178 HA GLU 23 HA GLU 23 15.001 -18.005 -5.417 179 1HB GLU 23 1HB GLU 23 15.729 -17.999 -2.710 180 2HB GLU 23 2HB GLU 23 17.256 -18.242 -3.536 181 1HG GLU 23 1HG GLU 23 15.269 -16.042 -4.273 182 2HG GLU 23 2HG GLU 23 16.615 -15.802 -3.175 183 H SER 24 H SER 24 17.094 -20.536 -3.835 184 HA SER 24 HA SER 24 18.632 -21.848 -4.622 185 1HB SER 24 1HB SER 24 16.457 -22.347 -6.174 186 2HB SER 24 2HB SER 24 17.576 -21.857 -7.429 187 HG SER 24 HG SER 24 18.666 -23.693 -7.209 188 H ARG 25 H ARG 25 20.296 -20.192 -4.416 189 HA ARG 25 HA ARG 25 20.802 -18.411 -6.502 190 1HB ARG 25 1HB ARG 25 21.978 -19.134 -3.901 191 2HB ARG 25 2HB ARG 25 23.225 -18.764 -5.076 192 1HG ARG 25 1HG ARG 25 22.817 -16.600 -4.400 193 2HG ARG 25 2HG ARG 25 21.550 -16.696 -5.608 194 1HD ARG 25 1HD ARG 25 19.847 -17.091 -3.974 195 2HD ARG 25 2HD ARG 25 21.005 -17.561 -2.746 196 HE ARG 25 HE ARG 25 20.156 -14.866 -3.348 197 1HH1 ARG 25 2HH2 ARG 25 22.962 -16.723 -2.318 198 2HH1 ARG 25 1HH2 ARG 25 23.696 -15.394 -1.485 199 1HH2 ARG 25 2HH1 ARG 25 21.125 -13.111 -2.251 200 2HH2 ARG 25 1HH1 ARG 25 22.645 -13.325 -1.447 201 H GLY 26 H GLY 26 21.565 -18.974 -8.517 202 1HA GLY 26 1HA GLY 26 23.968 -20.274 -8.971 203 2HA GLY 26 2HA GLY 26 22.726 -21.509 -9.052 204 H SER 27 H SER 27 23.597 -21.547 -11.386 205 HA SER 27 HA SER 27 22.524 -19.360 -12.947 206 1HB SER 27 1HB SER 27 23.770 -20.468 -14.839 207 2HB SER 27 2HB SER 27 24.795 -19.967 -13.509 208 HG SER 27 HG SER 27 25.258 -22.027 -13.019 209 H GLY 28 H GLY 28 21.193 -19.867 -14.911 210 1HA GLY 28 1HA GLY 28 20.024 -21.652 -16.112 211 2HA GLY 28 2HA GLY 28 19.645 -22.366 -14.558 212 H SER 29 H SER 29 19.329 -19.198 -16.317 213 HA SER 29 HA SER 29 16.566 -19.172 -15.969 214 1HB SER 29 1HB SER 29 17.667 -18.522 -13.605 215 2HB SER 29 2HB SER 29 17.795 -16.945 -14.358 216 HG SER 29 HG SER 29 15.365 -18.498 -14.069 217 H GLY 30 H GLY 30 15.748 -17.847 -17.584 218 1HA GLY 30 1HA GLY 30 16.488 -15.357 -18.327 219 2HA GLY 30 2HA GLY 30 17.637 -16.364 -19.186 220 H SER 31 H SER 31 16.990 -17.568 -20.994 221 HA SER 31 HA SER 31 15.759 -18.193 -22.667 222 1HB SER 31 1HB SER 31 14.382 -19.194 -20.651 223 2HB SER 31 2HB SER 31 13.208 -17.955 -21.049 224 HG SER 31 HG SER 31 13.734 -18.994 -23.395 225 H LEU 32 H LEU 32 14.255 -17.370 -24.368 226 HA LEU 32 HA LEU 32 13.459 -14.589 -23.866 227 1HB LEU 32 1HB LEU 32 15.613 -15.103 -25.287 228 2HB LEU 32 2HB LEU 32 14.451 -15.466 -26.547 229 HG LEU 32 HG LEU 32 13.482 -13.184 -26.269 230 1HD1 LEU 32 1HD1 LEU 32 13.939 -12.457 -24.127 231 2HD1 LEU 32 2HD1 LEU 32 15.635 -12.998 -24.185 232 3HD1 LEU 32 3HD1 LEU 32 15.132 -11.545 -25.083 233 1HD2 LEU 32 1HD2 LEU 32 15.138 -13.695 -28.017 234 2HD2 LEU 32 2HD2 LEU 32 15.260 -12.015 -27.441 235 3HD2 LEU 32 3HD2 LEU 32 16.446 -13.228 -26.903 236 H PHE 33 H PHE 33 11.414 -15.819 -23.275 237 HA PHE 33 HA PHE 33 9.631 -15.643 -25.436 238 1HB PHE 33 1HB PHE 33 10.989 -18.209 -24.858 239 2HB PHE 33 2HB PHE 33 9.258 -18.374 -24.644 240 HD1 PHE 33 1HD PHE 33 7.932 -17.038 -26.674 241 HD2 PHE 33 2HD PHE 33 11.747 -18.880 -26.917 242 HE1 PHE 33 1HE PHE 33 7.650 -17.295 -29.155 243 HE2 PHE 33 2HE PHE 33 11.464 -19.137 -29.397 244 HZ PHE 33 HZ PHE 33 9.419 -18.341 -30.487 245 H SER 34 H SER 34 7.361 -16.450 -24.739 246 HA SER 34 HA SER 34 7.160 -16.560 -21.853 247 1HB SER 34 1HB SER 34 6.906 -14.158 -22.580 248 2HB SER 34 2HB SER 34 5.536 -14.628 -23.567 249 HG SER 34 HG SER 34 4.958 -13.788 -21.418 250 H PHE 35 H PHE 35 5.118 -17.525 -21.111 251 HA PHE 35 HA PHE 35 3.388 -18.562 -23.198 252 1HB PHE 35 1HB PHE 35 5.393 -20.153 -22.593 253 2HB PHE 35 2HB PHE 35 4.657 -20.303 -21.009 254 HD1 PHE 35 1HD PHE 35 4.863 -21.736 -24.184 255 HD2 PHE 35 2HD PHE 35 2.080 -20.976 -21.073 256 HE1 PHE 35 1HE PHE 35 3.404 -23.591 -25.037 257 HE2 PHE 35 2HE PHE 35 0.620 -22.831 -21.925 258 HZ PHE 35 HZ PHE 35 1.300 -24.117 -23.897 259 H LEU 36 H LEU 36 4.170 -18.682 -19.648 260 HA LEU 36 HA LEU 36 1.692 -19.278 -18.701 261 1HB LEU 36 1HB LEU 36 4.020 -17.731 -17.661 262 2HB LEU 36 2HB LEU 36 2.517 -17.663 -16.762 263 HG LEU 36 HG LEU 36 2.744 -20.353 -17.125 264 1HD1 LEU 36 1HD1 LEU 36 4.797 -21.066 -17.572 265 2HD1 LEU 36 2HD1 LEU 36 5.259 -19.382 -17.915 266 3HD1 LEU 36 3HD1 LEU 36 5.489 -20.053 -16.283 267 1HD2 LEU 36 1HD2 LEU 36 4.250 -19.561 -14.779 268 2HD2 LEU 36 2HD2 LEU 36 2.819 -18.527 -15.011 269 3HD2 LEU 36 3HD2 LEU 36 2.632 -20.294 -14.907 270 H GLY 37 H GLY 37 2.881 -15.866 -18.517 271 1HA GLY 37 1HA GLY 37 1.861 -13.976 -19.347 272 2HA GLY 37 2HA GLY 37 0.474 -14.920 -19.852 273 H LYS 38 H LYS 38 2.188 -14.403 -16.680 274 HA LYS 38 HA LYS 38 -0.348 -13.410 -15.612 275 1HB LYS 38 1HB LYS 38 1.034 -15.901 -14.870 276 2HB LYS 38 2HB LYS 38 0.685 -14.859 -13.506 277 1HG LYS 38 1HG LYS 38 -1.542 -15.307 -13.617 278 2HG LYS 38 2HG LYS 38 -1.601 -14.941 -15.330 279 1HD LYS 38 1HD LYS 38 -0.359 -17.552 -14.430 280 2HD LYS 38 2HD LYS 38 -2.105 -17.407 -14.455 281 1HE LYS 38 1HE LYS 38 -1.433 -16.331 -16.924 282 2HE LYS 38 2HE LYS 38 -0.189 -17.550 -16.727 283 1HZ LYS 38 1HZ LYS 38 -1.870 -19.181 -16.361 284 2HZ LYS 38 2HZ LYS 38 -3.062 -18.066 -16.397 285 3HZ LYS 38 3HZ LYS 38 -2.212 -18.395 -17.752 286 H LYS 39 H LYS 39 -0.125 -11.837 -13.968 287 HA LYS 39 HA LYS 39 2.389 -11.249 -12.822 288 1HB LYS 39 1HB LYS 39 2.300 -10.361 -15.389 289 2HB LYS 39 2HB LYS 39 1.618 -8.975 -14.562 290 1HG LYS 39 1HG LYS 39 3.565 -8.595 -13.286 291 2HG LYS 39 2HG LYS 39 4.104 -10.258 -13.417 292 1HD LYS 39 1HD LYS 39 4.531 -9.887 -15.883 293 2HD LYS 39 2HD LYS 39 4.083 -8.205 -15.679 294 1HE LYS 39 1HE LYS 39 6.044 -8.916 -13.651 295 2HE LYS 39 2HE LYS 39 6.645 -9.401 -15.225 296 1HZ LYS 39 1HZ LYS 39 6.173 -7.171 -16.013 297 2HZ LYS 39 2HZ LYS 39 5.647 -6.725 -14.532 298 3HZ LYS 39 3HZ LYS 39 7.212 -7.138 -14.753 299 H CYS 40 H CYS 40 2.111 -8.740 -11.909 300 HA CYS 40 HA CYS 40 0.029 -8.976 -10.085 301 1HB CYS 40 1HB CYS 40 0.638 -6.716 -9.369 302 2HB CYS 40 2HB CYS 40 2.064 -7.706 -9.609 303 HG CYS 40 HG CYS 40 1.104 -5.000 -10.941 304 H VAL 41 H VAL 41 -2.039 -7.947 -9.979 305 HA VAL 41 HA VAL 41 -2.890 -6.743 -12.523 306 HB VAL 41 HB VAL 41 -3.797 -9.022 -11.873 307 1HG1 VAL 41 1HG1 VAL 41 -4.463 -7.550 -9.471 308 2HG1 VAL 41 2HG1 VAL 41 -5.933 -8.217 -10.222 309 3HG1 VAL 41 3HG1 VAL 41 -4.580 -9.295 -9.801 310 1HG2 VAL 41 1HG2 VAL 41 -5.614 -6.656 -12.401 311 2HG2 VAL 41 2HG2 VAL 41 -4.923 -7.805 -13.573 312 3HG2 VAL 41 3HG2 VAL 41 -6.185 -8.342 -12.438 313 H THR 42 H THR 42 -4.492 -5.001 -12.362 314 HA THR 42 HA THR 42 -4.122 -3.508 -9.859 315 HB THR 42 HB THR 42 -4.735 -2.716 -12.750 316 HG1 THR 42 1HG THR 42 -2.598 -1.916 -12.502 317 1HG2 THR 42 1HG2 THR 42 -4.044 -0.556 -10.877 318 2HG2 THR 42 2HG2 THR 42 -5.370 -0.625 -12.062 319 3HG2 THR 42 3HG2 THR 42 -5.592 -1.318 -10.438 320 H MET 43 H MET 43 -5.824 -2.741 -8.650 321 HA MET 43 HA MET 43 -8.325 -4.051 -9.271 322 1HB MET 43 1HB MET 43 -6.904 -3.032 -6.848 323 2HB MET 43 2HB MET 43 -8.629 -2.719 -6.826 324 1HG MET 43 1HG MET 43 -8.203 -5.435 -7.754 325 2HG MET 43 2HG MET 43 -7.278 -5.199 -6.284 326 1HE MET 43 1HE MET 43 -9.674 -4.235 -3.622 327 2HE MET 43 2HE MET 43 -8.106 -3.883 -4.386 328 3HE MET 43 3HE MET 43 -9.515 -2.854 -4.733 329 H SER 44 H SER 44 -7.374 -0.809 -7.904 330 HA SER 44 HA SER 44 -9.079 0.431 -9.857 331 1HB SER 44 1HB SER 44 -10.448 -0.178 -7.723 332 2HB SER 44 2HB SER 44 -9.532 1.084 -6.926 333 HG SER 44 HG SER 44 -10.838 2.519 -7.809 334 H SER 45 H SER 45 -8.941 2.976 -9.501 335 HA SER 45 HA SER 45 -6.327 3.594 -8.383 336 1HB SER 45 1HB SER 45 -7.093 5.174 -10.776 337 2HB SER 45 2HB SER 45 -5.531 4.521 -10.322 338 HG SER 45 HG SER 45 -6.042 3.259 -12.040 339 H ALA 46 H ALA 46 -6.431 5.300 -6.957 340 HA ALA 46 HA ALA 46 -8.591 7.240 -7.337 341 1HB ALA 46 1HB ALA 46 -7.848 6.095 -4.626 342 2HB ALA 46 2HB ALA 46 -9.258 7.095 -5.054 343 3HB ALA 46 3HB ALA 46 -9.154 5.413 -5.624 344 H VAL 47 H VAL 47 -7.983 9.361 -6.928 345 HA VAL 47 HA VAL 47 -5.173 9.818 -6.724 346 HB VAL 47 HB VAL 47 -6.385 11.207 -8.177 347 1HG1 VAL 47 1HG1 VAL 47 -8.338 11.464 -5.903 348 2HG1 VAL 47 2HG1 VAL 47 -8.250 12.730 -7.151 349 3HG1 VAL 47 3HG1 VAL 47 -8.630 11.052 -7.609 350 1HG2 VAL 47 1HG2 VAL 47 -6.332 13.498 -6.719 351 2HG2 VAL 47 2HG2 VAL 47 -5.321 12.443 -5.703 352 3HG2 VAL 47 3HG2 VAL 47 -4.888 12.720 -7.407 353 H VAL 48 H VAL 48 -3.973 10.264 -4.932 354 HA VAL 48 HA VAL 48 -5.319 11.254 -2.568 355 HB VAL 48 HB VAL 48 -4.982 9.478 -1.206 356 1HG1 VAL 48 1HG1 VAL 48 -5.486 7.336 -2.384 357 2HG1 VAL 48 2HG1 VAL 48 -6.536 8.685 -2.881 358 3HG1 VAL 48 3HG1 VAL 48 -5.200 8.163 -3.934 359 1HG2 VAL 48 1HG2 VAL 48 -2.705 8.604 -3.013 360 2HG2 VAL 48 2HG2 VAL 48 -2.584 9.336 -1.394 361 3HG2 VAL 48 3HG2 VAL 48 -3.258 7.699 -1.584 362 H GLN 49 H GLN 49 -3.610 11.778 -0.828 363 HA GLN 49 HA GLN 49 -1.213 12.642 -2.245 364 1HB GLN 49 1HB GLN 49 -2.417 13.898 0.257 365 2HB GLN 49 2HB GLN 49 -1.108 14.542 -0.716 366 1HG GLN 49 1HG GLN 49 -2.783 14.545 -2.698 367 2HG GLN 49 2HG GLN 49 -4.035 14.246 -1.510 368 1HE2 GLN 49 1HE2 GLN 49 -2.484 16.561 -3.218 369 2HE2 GLN 49 2HE2 GLN 49 -2.747 17.958 -2.228 370 H LEU 50 H LEU 50 0.751 11.878 -1.539 371 HA LEU 50 HA LEU 50 0.722 10.002 0.634 372 1HB LEU 50 1HB LEU 50 1.931 9.740 -1.566 373 2HB LEU 50 2HB LEU 50 3.064 10.955 -1.011 374 HG LEU 50 HG LEU 50 4.073 8.854 -0.613 375 1HD1 LEU 50 1HD1 LEU 50 4.040 10.624 1.272 376 2HD1 LEU 50 2HD1 LEU 50 2.985 9.469 2.123 377 3HD1 LEU 50 3HD1 LEU 50 4.628 8.985 1.638 378 1HD2 LEU 50 1HD2 LEU 50 2.766 7.234 1.029 379 2HD2 LEU 50 2HD2 LEU 50 1.352 8.034 0.301 380 3HD2 LEU 50 3HD2 LEU 50 2.525 7.183 -0.734 381 H TYR 51 H TYR 51 1.152 10.438 2.730 382 HA TYR 51 HA TYR 51 2.600 12.939 3.283 383 1HB TYR 51 1HB TYR 51 0.118 11.568 4.423 384 2HB TYR 51 2HB TYR 51 1.068 12.582 5.489 385 HD1 TYR 51 1HD TYR 51 -1.550 12.518 3.081 386 HD2 TYR 51 2HD TYR 51 1.529 15.027 4.674 387 HE1 TYR 51 1HE TYR 51 -2.771 14.577 2.220 388 HE2 TYR 51 2HE TYR 51 0.298 17.075 3.809 389 HH TYR 51 HH TYR 51 -1.410 17.822 2.728 390 H ALA 52 H ALA 52 3.803 12.949 5.358 391 HA ALA 52 HA ALA 52 4.527 10.224 6.190 392 1HB ALA 52 1HB ALA 52 6.633 12.289 6.378 393 2HB ALA 52 2HB ALA 52 6.722 10.614 5.780 394 3HB ALA 52 3HB ALA 52 6.133 11.911 4.713 395 H ALA 53 H ALA 53 4.284 9.875 8.345 396 HA ALA 53 HA ALA 53 3.392 12.046 9.978 397 1HB ALA 53 1HB ALA 53 3.761 9.074 10.235 398 2HB ALA 53 2HB ALA 53 3.603 10.046 11.718 399 3HB ALA 53 3HB ALA 53 2.307 10.066 10.498 400 H ASP 54 H ASP 54 5.081 13.558 10.175 401 HA ASP 54 HA ASP 54 7.675 13.179 10.423 402 1HB ASP 54 1HB ASP 54 6.131 15.322 10.729 403 2HB ASP 54 2HB ASP 54 6.327 14.997 12.440 404 H ARG 55 H ARG 55 9.148 13.219 12.454 405 HA ARG 55 HA ARG 55 8.670 11.021 13.994 406 1HB ARG 55 1HB ARG 55 10.836 12.545 13.570 407 2HB ARG 55 2HB ARG 55 10.358 13.289 15.083 408 1HG ARG 55 1HG ARG 55 11.491 11.599 16.104 409 2HG ARG 55 2HG ARG 55 10.131 10.580 15.681 410 1HD ARG 55 1HD ARG 55 11.312 10.172 13.414 411 2HD ARG 55 2HD ARG 55 12.723 10.942 14.114 412 HE ARG 55 HE ARG 55 11.644 8.295 14.807 413 1HH1 ARG 55 2HH2 ARG 55 13.737 10.938 15.815 414 2HH1 ARG 55 1HH2 ARG 55 14.674 9.955 16.891 415 1HH2 ARG 55 2HH1 ARG 55 12.879 6.999 16.226 416 2HH2 ARG 55 1HH1 ARG 55 14.183 7.700 17.125 417 H ASN 56 H ASN 56 8.299 14.540 14.821 418 HA ASN 56 HA ASN 56 7.409 14.058 17.413 419 1HB ASN 56 1HB ASN 56 8.192 16.283 16.073 420 2HB ASN 56 2HB ASN 56 6.461 16.489 15.884 421 1HD2 ASN 56 1HD2 ASN 56 8.691 15.372 18.435 422 2HD2 ASN 56 2HD2 ASN 56 8.057 16.345 19.721 423 H CYS 57 H CYS 57 5.562 15.408 14.565 424 HA CYS 57 HA CYS 57 3.597 13.666 14.271 425 1HB CYS 57 1HB CYS 57 1.717 14.620 15.770 426 2HB CYS 57 2HB CYS 57 2.849 13.479 16.468 427 HG CYS 57 HG CYS 57 3.497 14.854 18.273 428 H MET 58 H MET 58 4.048 14.868 12.264 429 HA MET 58 HA MET 58 2.169 16.935 11.876 430 1HB MET 58 1HB MET 58 5.105 17.561 12.216 431 2HB MET 58 2HB MET 58 4.277 18.399 10.919 432 1HG MET 58 1HG MET 58 2.483 18.626 13.070 433 2HG MET 58 2HG MET 58 4.049 18.784 13.839 434 1HE MET 58 1HE MET 58 3.073 20.484 9.965 435 2HE MET 58 2HE MET 58 1.944 19.538 10.965 436 3HE MET 58 3HE MET 58 1.841 21.314 10.945 437 H TRP 59 H TRP 59 1.371 15.608 10.200 438 HA TRP 59 HA TRP 59 2.715 14.150 8.388 439 1HB TRP 59 1HB TRP 59 0.353 15.878 7.653 440 2HB TRP 59 2HB TRP 59 0.830 14.350 6.940 441 HD1 TRP 59 HD TRP 59 -1.099 15.757 9.910 442 HE1 TRP 59 1HE TRP 59 -2.307 13.859 11.288 443 HE3 TRP 59 3HE TRP 59 1.190 11.871 7.561 444 HZ2 TRP 59 2HZ TRP 59 -2.172 11.008 11.243 445 HZ3 TRP 59 3HZ TRP 59 0.595 9.563 8.289 446 HH2 TRP 59 HH TRP 59 -1.022 9.100 10.062 447 H SER 60 H SER 60 3.870 14.504 6.455 448 HA SER 60 HA SER 60 4.281 17.308 5.784 449 1HB SER 60 1HB SER 60 6.280 16.687 6.958 450 2HB SER 60 2HB SER 60 6.362 15.128 6.161 451 HG SER 60 HG SER 60 7.271 17.629 5.296 452 H LYS 61 H LYS 61 3.210 17.461 3.827 453 HA LYS 61 HA LYS 61 2.775 15.346 2.095 454 1HB LYS 61 1HB LYS 61 2.080 17.051 0.499 455 2HB LYS 61 2HB LYS 61 1.458 17.402 2.100 456 1HG LYS 61 1HG LYS 61 2.362 19.475 1.861 457 2HG LYS 61 2HG LYS 61 3.923 18.719 2.111 458 1HD LYS 61 1HD LYS 61 4.220 18.406 -0.312 459 2HD LYS 61 2HD LYS 61 2.595 18.980 -0.627 460 1HE LYS 61 1HE LYS 61 3.425 21.153 0.681 461 2HE LYS 61 2HE LYS 61 5.019 20.556 0.266 462 1HZ LYS 61 1HZ LYS 61 4.580 21.686 -1.597 463 2HZ LYS 61 2HZ LYS 61 3.811 20.320 -2.055 464 3HZ LYS 61 3HZ LYS 61 2.957 21.577 -1.459 465 H LYS 62 H LYS 62 4.008 14.284 0.624 466 HA LYS 62 HA LYS 62 6.668 15.415 0.135 467 1HB LYS 62 1HB LYS 62 5.940 12.928 1.097 468 2HB LYS 62 2HB LYS 62 6.212 12.610 -0.604 469 1HG LYS 62 1HG LYS 62 8.355 14.285 0.065 470 2HG LYS 62 2HG LYS 62 8.157 13.312 1.509 471 1HD LYS 62 1HD LYS 62 8.842 11.380 0.467 472 2HD LYS 62 2HD LYS 62 7.986 11.753 -1.017 473 1HE LYS 62 1HE LYS 62 9.756 13.336 -1.697 474 2HE LYS 62 2HE LYS 62 10.579 13.128 -0.164 475 1HZ LYS 62 1HZ LYS 62 10.120 11.000 -2.138 476 2HZ LYS 62 2HZ LYS 62 11.540 11.763 -1.875 477 3HZ LYS 62 3HZ LYS 62 10.897 10.812 -0.714 478 H CYS 63 H CYS 63 3.751 13.963 -1.392 479 HA CYS 63 HA CYS 63 3.853 15.573 -3.605 480 1HB CYS 63 1HB CYS 63 4.608 13.932 -5.370 481 2HB CYS 63 2HB CYS 63 5.882 14.614 -4.380 482 HG CYS 63 HG CYS 63 5.749 12.582 -2.571 483 H SER 64 H SER 64 2.098 14.965 -5.129 484 HA SER 64 HA SER 64 0.478 12.785 -4.063 485 1HB SER 64 1HB SER 64 -0.863 15.126 -5.386 486 2HB SER 64 2HB SER 64 -1.457 14.079 -4.112 487 HG SER 64 HG SER 64 -0.633 15.383 -2.615 488 H GLY 65 H GLY 65 -1.177 11.971 -5.760 489 1HA GLY 65 1HA GLY 65 -1.007 12.538 -8.467 490 2HA GLY 65 2HA GLY 65 0.208 11.314 -8.148 491 H VAL 66 H VAL 66 -1.224 9.987 -9.625 492 HA VAL 66 HA VAL 66 -3.708 9.121 -8.403 493 HB VAL 66 HB VAL 66 -2.466 8.125 -10.960 494 1HG1 VAL 66 1HG1 VAL 66 -4.560 7.091 -9.805 495 2HG1 VAL 66 2HG1 VAL 66 -5.399 8.540 -10.408 496 3HG1 VAL 66 3HG1 VAL 66 -4.609 7.428 -11.552 497 1HG2 VAL 66 1HG2 VAL 66 -2.394 10.452 -11.316 498 2HG2 VAL 66 2HG2 VAL 66 -3.928 9.933 -12.056 499 3HG2 VAL 66 3HG2 VAL 66 -3.932 10.722 -10.459 500 H ALA 67 H ALA 67 -3.897 7.325 -7.157 501 HA ALA 67 HA ALA 67 -1.610 5.475 -7.193 502 1HB ALA 67 1HB ALA 67 -2.366 7.026 -5.103 503 2HB ALA 67 2HB ALA 67 -3.411 5.614 -4.820 504 3HB ALA 67 3HB ALA 67 -1.645 5.411 -4.907 505 H CYS 68 H CYS 68 -2.038 3.265 -7.364 506 HA CYS 68 HA CYS 68 -4.869 2.555 -7.552 507 1HB CYS 68 1HB CYS 68 -4.381 1.112 -9.487 508 2HB CYS 68 2HB CYS 68 -4.085 2.803 -9.840 509 HG CYS 68 HG CYS 68 -2.193 0.253 -9.839 510 H LEU 69 H LEU 69 -5.328 0.403 -6.788 511 HA LEU 69 HA LEU 69 -3.178 -0.682 -5.148 512 1HB LEU 69 1HB LEU 69 -5.407 -0.098 -4.188 513 2HB LEU 69 2HB LEU 69 -6.121 -1.358 -5.175 514 HG LEU 69 HG LEU 69 -3.932 -2.492 -3.708 515 1HD1 LEU 69 1HD1 LEU 69 -5.127 -0.353 -2.286 516 2HD1 LEU 69 2HD1 LEU 69 -5.721 -1.866 -1.560 517 3HD1 LEU 69 3HD1 LEU 69 -3.971 -1.571 -1.693 518 1HD2 LEU 69 1HD2 LEU 69 -5.475 -4.130 -3.147 519 2HD2 LEU 69 2HD2 LEU 69 -6.839 -2.987 -3.120 520 3HD2 LEU 69 3HD2 LEU 69 -6.125 -3.485 -4.673 521 H VAL 70 H VAL 70 -1.932 -2.269 -5.964 522 HA VAL 70 HA VAL 70 -3.143 -3.965 -8.031 523 HB VAL 70 HB VAL 70 -0.254 -3.281 -7.450 524 1HG1 VAL 70 1HG1 VAL 70 -1.001 -5.638 -8.461 525 2HG1 VAL 70 2HG1 VAL 70 -1.084 -4.677 -9.958 526 3HG1 VAL 70 3HG1 VAL 70 0.440 -4.769 -9.042 527 1HG2 VAL 70 1HG2 VAL 70 -0.419 -2.222 -9.754 528 2HG2 VAL 70 2HG2 VAL 70 -2.184 -2.394 -9.612 529 3HG2 VAL 70 3HG2 VAL 70 -1.292 -1.386 -8.447 530 H LYS 71 H LYS 71 -3.016 -6.233 -7.847 531 HA LYS 71 HA LYS 71 -1.843 -7.231 -5.362 532 1HB LYS 71 1HB LYS 71 -3.841 -8.627 -4.969 533 2HB LYS 71 2HB LYS 71 -4.174 -6.912 -4.832 534 1HG LYS 71 1HG LYS 71 -5.498 -6.866 -6.735 535 2HG LYS 71 2HG LYS 71 -4.548 -8.084 -7.562 536 1HD LYS 71 1HD LYS 71 -5.963 -9.087 -5.143 537 2HD LYS 71 2HD LYS 71 -7.031 -8.523 -6.413 538 1HE LYS 71 1HE LYS 71 -5.853 -9.997 -8.059 539 2HE LYS 71 2HE LYS 71 -4.783 -10.560 -6.791 540 1HZ LYS 71 1HZ LYS 71 -6.503 -12.104 -6.955 541 2HZ LYS 71 2HZ LYS 71 -6.850 -11.255 -5.604 542 3HZ LYS 71 3HZ LYS 71 -7.677 -10.970 -6.984 543 H ASP 72 H ASP 72 -0.577 -8.993 -5.696 544 HA ASP 72 HA ASP 72 -0.405 -9.941 -8.375 545 1HB ASP 72 1HB ASP 72 1.161 -10.126 -5.860 546 2HB ASP 72 2HB ASP 72 1.205 -11.599 -6.810 547 H ASN 73 H ASN 73 -1.365 -11.853 -9.135 548 HA ASN 73 HA ASN 73 -3.078 -13.238 -7.354 549 1HB ASN 73 1HB ASN 73 -2.770 -12.919 -10.207 550 2HB ASN 73 2HB ASN 73 -2.713 -14.639 -9.874 551 1HD2 ASN 73 1HD2 ASN 73 -4.630 -11.826 -10.069 552 2HD2 ASN 73 2HD2 ASN 73 -6.164 -12.495 -9.626 553 HA PRO 74 HA PRO 74 0.187 -16.597 -8.319 554 1HB PRO 74 1HB PRO 74 2.483 -15.914 -9.637 555 2HB PRO 74 2HB PRO 74 1.079 -16.588 -10.442 556 1HG PRO 74 1HG PRO 74 2.048 -13.795 -10.432 557 2HG PRO 74 2HG PRO 74 0.930 -14.565 -11.541 558 1HD PRO 74 1HD PRO 74 0.266 -12.771 -9.404 559 2HD PRO 74 2HD PRO 74 -0.857 -13.632 -10.438 560 H GLN 75 H GLN 75 1.745 -13.484 -7.811 561 HA GLN 75 HA GLN 75 3.577 -14.617 -5.982 562 1HB GLN 75 1HB GLN 75 3.079 -12.027 -7.233 563 2HB GLN 75 2HB GLN 75 3.419 -11.821 -5.527 564 1HG GLN 75 1HG GLN 75 5.542 -11.766 -6.698 565 2HG GLN 75 2HG GLN 75 5.475 -13.273 -5.807 566 1HE2 GLN 75 1HE2 GLN 75 6.653 -14.607 -6.994 567 2HE2 GLN 75 2HE2 GLN 75 6.377 -15.021 -8.653 568 H ARG 76 H ARG 76 0.275 -14.129 -5.782 569 HA ARG 76 HA ARG 76 -1.150 -13.644 -4.184 570 1HB ARG 76 1HB ARG 76 0.725 -15.749 -3.193 571 2HB ARG 76 2HB ARG 76 -0.291 -15.040 -1.954 572 1HG ARG 76 1HG ARG 76 -2.008 -16.343 -2.651 573 2HG ARG 76 2HG ARG 76 -2.012 -15.484 -4.179 574 1HD ARG 76 1HD ARG 76 -1.600 -17.613 -4.996 575 2HD ARG 76 2HD ARG 76 0.060 -17.134 -4.702 576 HE ARG 76 HE ARG 76 0.176 -18.737 -3.010 577 1HH1 ARG 76 2HH2 ARG 76 -3.205 -17.941 -3.576 578 2HH1 ARG 76 1HH2 ARG 76 -3.803 -19.145 -2.484 579 1HH2 ARG 76 2HH1 ARG 76 -0.613 -20.325 -1.569 580 2HH2 ARG 76 1HH1 ARG 76 -2.319 -20.510 -1.335 581 H SER 77 H SER 77 0.250 -11.372 -4.297 582 HA SER 77 HA SER 77 0.426 -10.615 -1.540 583 1HB SER 77 1HB SER 77 2.751 -11.318 -2.045 584 2HB SER 77 2HB SER 77 2.792 -10.247 -3.432 585 HG SER 77 HG SER 77 3.805 -9.259 -1.595 586 H TYR 78 H TYR 78 0.370 -8.216 -1.291 587 HA TYR 78 HA TYR 78 -0.802 -6.980 -3.681 588 1HB TYR 78 1HB TYR 78 -0.853 -6.259 -0.684 589 2HB TYR 78 2HB TYR 78 -1.832 -5.489 -1.918 590 HD1 TYR 78 1HD TYR 78 -2.451 -7.214 0.752 591 HD2 TYR 78 2HD TYR 78 -2.745 -7.898 -3.461 592 HE1 TYR 78 1HE TYR 78 -4.299 -8.914 1.149 593 HE2 TYR 78 2HE TYR 78 -4.591 -9.597 -3.050 594 HH TYR 78 HH TYR 78 -6.344 -9.758 -0.460 595 H PHE 79 H PHE 79 -0.297 -4.715 -4.143 596 HA PHE 79 HA PHE 79 2.055 -3.665 -2.814 597 1HB PHE 79 1HB PHE 79 1.779 -4.199 -5.833 598 2HB PHE 79 2HB PHE 79 3.123 -3.344 -5.105 599 HD1 PHE 79 1HD PHE 79 1.404 -6.639 -5.115 600 HD2 PHE 79 2HD PHE 79 4.999 -4.516 -4.352 601 HE1 PHE 79 1HE PHE 79 2.623 -8.812 -4.809 602 HE2 PHE 79 2HE PHE 79 6.217 -6.690 -4.047 603 HZ PHE 79 HZ PHE 79 5.015 -8.811 -4.279 604 H LEU 80 H LEU 80 1.859 -1.482 -2.547 605 HA LEU 80 HA LEU 80 -0.223 -0.176 -4.148 606 1HB LEU 80 1HB LEU 80 0.147 -0.344 -1.390 607 2HB LEU 80 2HB LEU 80 0.692 1.268 -1.802 608 HG LEU 80 HG LEU 80 -1.806 0.704 -3.144 609 1HD1 LEU 80 1HD1 LEU 80 -3.291 0.283 -1.384 610 2HD1 LEU 80 2HD1 LEU 80 -1.961 -0.873 -1.130 611 3HD1 LEU 80 3HD1 LEU 80 -2.057 0.603 -0.141 612 1HD2 LEU 80 1HD2 LEU 80 -0.884 2.733 -1.100 613 2HD2 LEU 80 2HD2 LEU 80 -1.061 2.942 -2.859 614 3HD2 LEU 80 3HD2 LEU 80 -2.504 2.743 -1.836 615 H ARG 81 H ARG 81 0.441 1.178 -5.719 616 HA ARG 81 HA ARG 81 3.027 2.440 -5.292 617 1HB ARG 81 1HB ARG 81 1.902 1.278 -7.888 618 2HB ARG 81 2HB ARG 81 3.320 2.307 -7.833 619 1HG ARG 81 1HG ARG 81 3.358 0.004 -5.930 620 2HG ARG 81 2HG ARG 81 3.391 -0.437 -7.626 621 1HD ARG 81 1HD ARG 81 5.228 1.668 -7.520 622 2HD ARG 81 2HD ARG 81 5.484 0.869 -5.982 623 HE ARG 81 HE ARG 81 6.322 -0.124 -8.520 624 1HH1 ARG 81 2HH2 ARG 81 4.765 -1.285 -5.587 625 2HH1 ARG 81 1HH2 ARG 81 5.345 -2.907 -5.768 626 1HH2 ARG 81 2HH1 ARG 81 7.089 -2.263 -8.760 627 2HH2 ARG 81 1HH1 ARG 81 6.676 -3.467 -7.585 628 H ILE 82 H ILE 82 3.236 4.615 -6.226 629 HA ILE 82 HA ILE 82 0.665 5.763 -7.056 630 HB ILE 82 HB ILE 82 2.597 6.676 -4.962 631 1HG1 ILE 82 1HG1 ILE 82 -0.394 6.958 -4.913 632 2HG1 ILE 82 2HG1 ILE 82 0.330 5.385 -4.644 633 1HG2 ILE 82 1HG2 ILE 82 2.631 8.727 -5.864 634 2HG2 ILE 82 2HG2 ILE 82 1.261 8.385 -6.950 635 3HG2 ILE 82 3HG2 ILE 82 0.961 8.845 -5.257 636 1HD1 ILE 82 1HD1 ILE 82 0.470 6.071 -2.467 637 2HD1 ILE 82 2HD1 ILE 82 1.909 6.961 -3.021 638 3HD1 ILE 82 3HD1 ILE 82 0.338 7.792 -2.904 639 H PHE 83 H PHE 83 0.731 7.191 -8.789 640 HA PHE 83 HA PHE 83 3.393 7.484 -9.995 641 1HB PHE 83 1HB PHE 83 1.284 7.940 -11.884 642 2HB PHE 83 2HB PHE 83 2.325 6.533 -11.813 643 HD1 PHE 83 1HD PHE 83 1.542 4.939 -9.662 644 HD2 PHE 83 2HD PHE 83 -0.941 7.409 -12.059 645 HE1 PHE 83 1HE PHE 83 -0.437 3.504 -9.092 646 HE2 PHE 83 2HE PHE 83 -2.920 5.974 -11.489 647 HZ PHE 83 HZ PHE 83 -2.644 4.038 -10.011 648 H ASP 84 H ASP 84 4.033 9.518 -10.764 649 HA ASP 84 HA ASP 84 2.767 11.692 -9.526 650 1HB ASP 84 1HB ASP 84 5.261 11.367 -10.225 651 2HB ASP 84 2HB ASP 84 4.752 11.855 -11.830 652 H ILE 85 H ILE 85 1.946 13.667 -10.774 653 HA ILE 85 HA ILE 85 0.597 12.797 -13.232 654 HB ILE 85 HB ILE 85 -0.934 13.222 -11.425 655 1HG1 ILE 85 1HG1 ILE 85 -1.116 15.584 -13.301 656 2HG1 ILE 85 2HG1 ILE 85 -1.404 13.942 -13.840 657 1HG2 ILE 85 1HG2 ILE 85 -0.895 15.943 -10.923 658 2HG2 ILE 85 2HG2 ILE 85 -0.318 14.658 -9.836 659 3HG2 ILE 85 3HG2 ILE 85 0.827 15.492 -10.914 660 1HD1 ILE 85 1HD1 ILE 85 -2.901 15.398 -11.616 661 2HD1 ILE 85 2HD1 ILE 85 -3.539 14.958 -13.218 662 3HD1 ILE 85 3HD1 ILE 85 -3.147 13.687 -12.035 663 H LYS 86 H LYS 86 3.185 14.601 -12.029 664 HA LYS 86 HA LYS 86 2.988 16.486 -14.274 665 1HB LYS 86 1HB LYS 86 3.732 16.818 -11.469 666 2HB LYS 86 2HB LYS 86 4.977 17.407 -12.550 667 1HG LYS 86 1HG LYS 86 3.587 19.032 -13.507 668 2HG LYS 86 2HG LYS 86 2.122 18.120 -13.199 669 1HD LYS 86 1HD LYS 86 1.870 19.696 -11.530 670 2HD LYS 86 2HD LYS 86 2.838 18.545 -10.629 671 1HE LYS 86 1HE LYS 86 4.904 19.792 -11.174 672 2HE LYS 86 2HE LYS 86 4.006 20.894 -12.198 673 1HZ LYS 86 1HZ LYS 86 4.264 21.904 -10.112 674 2HZ LYS 86 2HZ LYS 86 2.695 21.457 -10.189 675 3HZ LYS 86 3HZ LYS 86 3.748 20.588 -9.292 676 H ASP 87 H ASP 87 4.862 13.952 -12.634 677 HA ASP 87 HA ASP 87 6.877 14.242 -14.713 678 1HB ASP 87 1HB ASP 87 6.891 13.230 -11.884 679 2HB ASP 87 2HB ASP 87 7.961 12.418 -13.007 680 H GLY 88 H GLY 88 4.146 12.441 -13.631 681 1HA GLY 88 1HA GLY 88 3.270 10.428 -14.135 682 2HA GLY 88 2HA GLY 88 4.010 10.670 -15.705 683 H LYS 89 H LYS 89 5.394 10.058 -12.396 684 HA LYS 89 HA LYS 89 6.436 7.525 -13.379 685 1HB LYS 89 1HB LYS 89 8.698 7.997 -12.808 686 2HB LYS 89 2HB LYS 89 8.151 9.282 -13.866 687 1HG LYS 89 1HG LYS 89 7.634 10.672 -11.790 688 2HG LYS 89 2HG LYS 89 8.375 9.412 -10.823 689 1HD LYS 89 1HD LYS 89 10.306 9.861 -12.787 690 2HD LYS 89 2HD LYS 89 9.651 11.468 -12.537 691 1HE LYS 89 1HE LYS 89 10.411 11.600 -10.345 692 2HE LYS 89 2HE LYS 89 10.218 9.882 -10.054 693 1HZ LYS 89 1HZ LYS 89 12.452 11.291 -11.194 694 2HZ LYS 89 2HZ LYS 89 12.431 9.952 -10.261 695 3HZ LYS 89 3HZ LYS 89 12.122 9.837 -11.860 696 H LEU 90 H LEU 90 7.783 6.560 -11.299 697 HA LEU 90 HA LEU 90 5.748 6.270 -9.335 698 1HB LEU 90 1HB LEU 90 6.874 4.322 -9.711 699 2HB LEU 90 2HB LEU 90 8.428 5.108 -9.899 700 HG LEU 90 HG LEU 90 7.183 5.169 -7.186 701 1HD1 LEU 90 1HD1 LEU 90 8.061 2.677 -8.591 702 2HD1 LEU 90 2HD1 LEU 90 8.441 2.874 -6.863 703 3HD1 LEU 90 3HD1 LEU 90 6.749 2.931 -7.415 704 1HD2 LEU 90 1HD2 LEU 90 9.312 5.464 -6.438 705 2HD2 LEU 90 2HD2 LEU 90 10.028 4.455 -7.716 706 3HD2 LEU 90 3HD2 LEU 90 9.503 6.115 -8.084 707 H LEU 91 H LEU 91 5.406 7.449 -7.529 708 HA LEU 91 HA LEU 91 7.613 9.198 -6.688 709 1HB LEU 91 1HB LEU 91 4.704 9.641 -7.043 710 2HB LEU 91 2HB LEU 91 5.435 10.372 -5.628 711 HG LEU 91 HG LEU 91 6.157 10.850 -8.527 712 1HD1 LEU 91 1HD1 LEU 91 4.481 12.323 -8.261 713 2HD1 LEU 91 2HD1 LEU 91 4.576 12.279 -6.484 714 3HD1 LEU 91 3HD1 LEU 91 5.713 13.286 -7.413 715 1HD2 LEU 91 1HD2 LEU 91 7.673 12.657 -7.241 716 2HD2 LEU 91 2HD2 LEU 91 7.737 11.327 -6.059 717 3HD2 LEU 91 3HD2 LEU 91 8.266 11.053 -7.736 718 H TRP 92 H TRP 92 5.722 6.446 -5.954 719 HA TRP 92 HA TRP 92 6.921 6.255 -3.377 720 1HB TRP 92 1HB TRP 92 5.125 7.728 -2.739 721 2HB TRP 92 2HB TRP 92 3.941 6.721 -3.548 722 HD1 TRP 92 HD TRP 92 6.378 6.460 -0.511 723 HE1 TRP 92 1HE TRP 92 5.399 4.839 1.328 724 HE3 TRP 92 3HE TRP 92 2.309 5.018 -3.198 725 HZ2 TRP 92 2HZ TRP 92 3.085 3.173 1.448 726 HZ3 TRP 92 3HZ TRP 92 0.740 3.391 -2.148 727 HH2 TRP 92 HH TRP 92 1.076 2.474 0.093 728 H GLU 93 H GLU 93 6.775 4.050 -2.606 729 HA GLU 93 HA GLU 93 5.178 2.242 -4.151 730 1HB GLU 93 1HB GLU 93 7.050 2.193 -5.614 731 2HB GLU 93 2HB GLU 93 8.204 2.287 -4.298 732 1HG GLU 93 1HG GLU 93 6.453 -0.073 -4.052 733 2HG GLU 93 2HG GLU 93 7.318 -0.060 -5.576 734 H GLN 94 H GLN 94 4.385 0.678 -2.792 735 HA GLN 94 HA GLN 94 5.964 0.148 -0.401 736 1HB GLN 94 1HB GLN 94 3.561 1.536 -0.397 737 2HB GLN 94 2HB GLN 94 3.028 -0.102 -0.077 738 1HG GLN 94 1HG GLN 94 5.339 0.244 1.537 739 2HG GLN 94 2HG GLN 94 4.457 1.751 1.682 740 1HE2 GLN 94 1HE2 GLN 94 4.789 -1.346 2.814 741 2HE2 GLN 94 2HE2 GLN 94 3.281 -1.555 3.642 742 H GLU 95 H GLU 95 6.156 -2.027 0.176 743 HA GLU 95 HA GLU 95 4.875 -3.851 -1.693 744 1HB GLU 95 1HB GLU 95 7.385 -4.090 0.012 745 2HB GLU 95 2HB GLU 95 6.679 -5.468 -0.806 746 1HG GLU 95 1HG GLU 95 7.182 -4.644 -2.946 747 2HG GLU 95 2HG GLU 95 7.168 -2.971 -2.426 748 H LEU 96 H LEU 96 2.815 -3.769 -0.506 749 HA LEU 96 HA LEU 96 2.359 -4.129 2.105 750 1HB LEU 96 1HB LEU 96 0.890 -5.522 -0.138 751 2HB LEU 96 2HB LEU 96 0.274 -5.241 1.479 752 HG LEU 96 HG LEU 96 1.108 -2.968 -0.327 753 1HD1 LEU 96 1HD1 LEU 96 -0.518 -4.030 -1.646 754 2HD1 LEU 96 2HD1 LEU 96 -1.522 -4.444 -0.235 755 3HD1 LEU 96 3HD1 LEU 96 -1.399 -2.751 -0.774 756 1HD2 LEU 96 1HD2 LEU 96 -0.971 -2.882 1.845 757 2HD2 LEU 96 2HD2 LEU 96 0.761 -2.742 2.230 758 3HD2 LEU 96 3HD2 LEU 96 -0.007 -1.560 1.143 759 H TYR 97 H TYR 97 1.907 -5.990 3.503 760 HA TYR 97 HA TYR 97 3.517 -8.325 2.716 761 1HB TYR 97 1HB TYR 97 3.607 -8.343 5.424 762 2HB TYR 97 2HB TYR 97 4.716 -7.335 4.517 763 HD1 TYR 97 1HD TYR 97 1.974 -7.389 6.878 764 HD2 TYR 97 2HD TYR 97 4.198 -4.874 4.226 765 HE1 TYR 97 1HE TYR 97 1.102 -5.329 8.087 766 HE2 TYR 97 2HE TYR 97 3.318 -2.823 5.444 767 HH TYR 97 HH TYR 97 1.369 -2.234 6.797 768 H ASN 98 H ASN 98 2.874 -10.379 3.842 769 HA ASN 98 HA ASN 98 0.283 -10.973 3.377 770 1HB ASN 98 1HB ASN 98 2.400 -12.466 4.014 771 2HB ASN 98 2HB ASN 98 1.768 -12.348 5.645 772 1HD2 ASN 98 1HD2 ASN 98 0.817 -13.100 2.308 773 2HD2 ASN 98 2HD2 ASN 98 -0.334 -14.341 2.675 774 H ASN 99 H ASN 99 -1.600 -11.279 4.807 775 HA ASN 99 HA ASN 99 -2.986 -10.704 6.371 776 1HB ASN 99 1HB ASN 99 -0.673 -11.645 7.751 777 2HB ASN 99 2HB ASN 99 -1.167 -10.206 8.621 778 1HD2 ASN 99 1HD2 ASN 99 -1.454 -12.036 10.221 779 2HD2 ASN 99 2HD2 ASN 99 -3.026 -12.754 10.339 780 H PHE 100 H PHE 100 -2.691 -8.558 4.900 781 HA PHE 100 HA PHE 100 -1.625 -6.372 6.505 782 1HB PHE 100 1HB PHE 100 -1.094 -6.767 4.012 783 2HB PHE 100 2HB PHE 100 -2.792 -6.513 3.660 784 HD1 PHE 100 1HD PHE 100 0.238 -4.856 4.997 785 HD2 PHE 100 2HD PHE 100 -3.665 -4.335 3.412 786 HE1 PHE 100 1HE PHE 100 0.649 -2.388 4.795 787 HE2 PHE 100 2HE PHE 100 -3.252 -1.867 3.210 788 HZ PHE 100 HZ PHE 100 -1.101 -0.923 3.904 789 H VAL 101 H VAL 101 -2.886 -4.570 7.145 790 HA VAL 101 HA VAL 101 -5.778 -4.926 6.769 791 HB VAL 101 HB VAL 101 -5.210 -5.615 8.997 792 1HG1 VAL 101 1HG1 VAL 101 -3.454 -4.788 10.092 793 2HG1 VAL 101 2HG1 VAL 101 -3.223 -3.570 8.815 794 3HG1 VAL 101 3HG1 VAL 101 -4.265 -3.208 10.212 795 1HG2 VAL 101 1HG2 VAL 101 -6.511 -3.956 10.324 796 2HG2 VAL 101 2HG2 VAL 101 -6.435 -2.838 8.940 797 3HG2 VAL 101 3HG2 VAL 101 -7.288 -4.392 8.783 798 H TYR 102 H TYR 102 -7.020 -2.884 6.848 799 HA TYR 102 HA TYR 102 -5.325 -0.600 6.089 800 1HB TYR 102 1HB TYR 102 -7.083 -2.063 4.521 801 2HB TYR 102 2HB TYR 102 -8.212 -0.923 5.226 802 HD1 TYR 102 1HD TYR 102 -4.665 -0.289 4.238 803 HD2 TYR 102 2HD TYR 102 -8.796 0.429 3.388 804 HE1 TYR 102 1HE TYR 102 -4.013 1.441 2.493 805 HE2 TYR 102 2HE TYR 102 -8.130 2.156 1.646 806 HH TYR 102 HH TYR 102 -6.513 3.176 0.652 807 H ASN 103 H ASN 103 -5.469 1.102 7.458 808 HA ASN 103 HA ASN 103 -7.656 1.091 9.328 809 1HB ASN 103 1HB ASN 103 -5.156 2.845 9.088 810 2HB ASN 103 2HB ASN 103 -6.335 3.010 10.374 811 1HD2 ASN 103 1HD2 ASN 103 -6.613 1.360 11.893 812 2HD2 ASN 103 2HD2 ASN 103 -5.399 0.164 12.201 813 H SER 104 H SER 104 -8.924 3.146 9.691 814 HA SER 104 HA SER 104 -8.664 5.281 7.898 815 1HB SER 104 1HB SER 104 -9.667 3.652 6.314 816 2HB SER 104 2HB SER 104 -11.005 3.385 7.414 817 HG SER 104 HG SER 104 -11.722 5.525 7.095 818 HA PRO 105 HA PRO 105 -11.040 5.822 11.773 819 1HB PRO 105 1HB PRO 105 -9.288 7.443 13.104 820 2HB PRO 105 2HB PRO 105 -9.350 5.706 13.333 821 1HG PRO 105 1HG PRO 105 -7.358 7.309 11.849 822 2HG PRO 105 2HG PRO 105 -7.222 5.667 12.446 823 1HD PRO 105 1HD PRO 105 -7.690 6.474 9.734 824 2HD PRO 105 2HD PRO 105 -7.669 4.834 10.349 825 H ARG 106 H ARG 106 -10.015 7.582 9.206 826 HA ARG 106 HA ARG 106 -11.478 9.895 10.191 827 1HB ARG 106 1HB ARG 106 -8.966 9.681 8.860 828 2HB ARG 106 2HB ARG 106 -10.065 10.338 7.663 829 1HG ARG 106 1HG ARG 106 -9.146 12.227 8.841 830 2HG ARG 106 2HG ARG 106 -10.801 12.064 9.393 831 1HD ARG 106 1HD ARG 106 -9.181 10.408 11.100 832 2HD ARG 106 2HD ARG 106 -8.358 11.948 10.953 833 HE ARG 106 HE ARG 106 -11.000 12.677 11.388 834 1HH1 ARG 106 2HH2 ARG 106 -8.714 10.613 13.090 835 2HH1 ARG 106 1HH2 ARG 106 -9.414 10.904 14.646 836 1HH2 ARG 106 2HH1 ARG 106 -11.924 13.062 13.442 837 2HH2 ARG 106 1HH1 ARG 106 -11.253 12.307 14.849 838 H GLY 107 H GLY 107 -12.376 11.169 7.995 839 1HA GLY 107 1HA GLY 107 -14.463 9.513 7.021 840 2HA GLY 107 2HA GLY 107 -14.085 11.151 6.526 841 H TYR 108 H TYR 108 -11.522 10.991 5.472 842 HA TYR 108 HA TYR 108 -11.570 8.808 3.537 843 1HB TYR 108 1HB TYR 108 -11.304 10.551 1.725 844 2HB TYR 108 2HB TYR 108 -12.826 10.763 2.566 845 HD1 TYR 108 1HD TYR 108 -12.921 12.527 4.452 846 HD2 TYR 108 2HD TYR 108 -9.759 12.325 1.577 847 HE1 TYR 108 1HE TYR 108 -12.300 14.940 4.954 848 HE2 TYR 108 2HE TYR 108 -9.149 14.740 2.089 849 HH TYR 108 HH TYR 108 -11.078 16.638 4.383 850 H PHE 109 H PHE 109 -9.853 8.981 5.728 851 HA PHE 109 HA PHE 109 -7.349 9.543 4.341 852 1HB PHE 109 1HB PHE 109 -8.256 11.401 6.015 853 2HB PHE 109 2HB PHE 109 -7.883 10.242 7.277 854 HD1 PHE 109 1HD PHE 109 -6.489 12.530 4.801 855 HD2 PHE 109 2HD PHE 109 -5.566 9.661 7.789 856 HE1 PHE 109 1HE PHE 109 -4.110 13.330 4.834 857 HE2 PHE 109 2HE PHE 109 -3.187 10.462 7.822 858 HZ PHE 109 HZ PHE 109 -2.488 12.286 6.345 859 H HIS 110 H HIS 110 -6.560 7.475 4.177 860 HA HIS 110 HA HIS 110 -6.835 5.771 6.526 861 1HB HIS 110 1HB HIS 110 -5.899 4.985 3.759 862 2HB HIS 110 2HB HIS 110 -6.384 3.921 5.064 863 HD2 HIS 110 2HD HIS 110 -9.186 6.073 5.503 864 HE1 HIS 110 1HE HIS 110 -10.273 4.069 1.908 865 HE2 HIS 110 2HE HIS 110 -11.094 5.467 3.926 866 H THR 111 H THR 111 -4.975 4.654 7.409 867 HA THR 111 HA THR 111 -2.406 5.855 6.624 868 HB THR 111 HB THR 111 -1.940 5.781 9.180 869 HG1 THR 111 1HG THR 111 -3.673 4.746 10.116 870 1HG2 THR 111 1HG2 THR 111 -3.405 7.743 7.618 871 2HG2 THR 111 2HG2 THR 111 -4.113 7.662 9.248 872 3HG2 THR 111 3HG2 THR 111 -2.381 8.018 9.048 873 H PHE 112 H PHE 112 -0.529 4.548 7.003 874 HA PHE 112 HA PHE 112 -0.923 1.854 7.884 875 1HB PHE 112 1HB PHE 112 -0.239 0.899 5.658 876 2HB PHE 112 2HB PHE 112 -1.737 1.794 5.509 877 HD1 PHE 112 1HD PHE 112 -1.936 3.343 3.805 878 HD2 PHE 112 2HD PHE 112 1.944 2.313 5.180 879 HE1 PHE 112 1HE PHE 112 -0.920 4.742 1.985 880 HE2 PHE 112 2HE PHE 112 2.960 3.713 3.361 881 HZ PHE 112 HZ PHE 112 1.516 4.910 1.785 882 H ALA 113 H ALA 113 1.302 0.579 7.191 883 HA ALA 113 HA ALA 113 3.407 2.397 8.096 884 1HB ALA 113 1HB ALA 113 2.718 0.209 9.309 885 2HB ALA 113 2HB ALA 113 3.546 -0.626 7.972 886 3HB ALA 113 3HB ALA 113 4.451 0.493 9.020 887 H GLY 114 H GLY 114 5.152 2.893 6.817 888 1HA GLY 114 1HA GLY 114 5.270 1.532 4.191 889 2HA GLY 114 2HA GLY 114 5.595 3.237 4.439 890 H ASP 115 H ASP 115 7.085 0.322 3.912 891 HA ASP 115 HA ASP 115 9.073 -0.499 4.209 892 1HB ASP 115 1HB ASP 115 9.943 1.381 3.037 893 2HB ASP 115 2HB ASP 115 9.614 2.479 4.364 894 H THR 116 H THR 116 9.991 2.280 6.276 895 HA THR 116 HA THR 116 9.635 0.641 8.682 896 HB THR 116 HB THR 116 11.952 1.182 9.362 897 HG1 THR 116 1HG THR 116 12.685 2.999 8.332 898 1HG2 THR 116 1HG2 THR 116 11.335 -0.501 7.150 899 2HG2 THR 116 2HG2 THR 116 12.731 0.474 6.631 900 3HG2 THR 116 3HG2 THR 116 12.835 -0.513 8.108 901 H CYS 117 H CYS 117 8.607 3.254 7.114 902 HA CYS 117 HA CYS 117 8.523 4.810 9.592 903 1HB CYS 117 1HB CYS 117 8.335 6.839 7.963 904 2HB CYS 117 2HB CYS 117 9.913 6.182 8.351 905 HG CYS 117 HG CYS 117 8.138 4.915 5.894 906 H GLN 118 H GLN 118 6.456 5.815 10.003 907 HA GLN 118 HA GLN 118 4.322 4.464 8.659 908 1HB GLN 118 1HB GLN 118 4.191 4.647 11.075 909 2HB GLN 118 2HB GLN 118 4.423 6.382 11.022 910 1HG GLN 118 1HG GLN 118 2.174 6.639 10.918 911 2HG GLN 118 2HG GLN 118 2.193 5.892 9.333 912 1HE2 GLN 118 1HE2 GLN 118 0.610 5.803 12.062 913 2HE2 GLN 118 2HE2 GLN 118 0.221 4.124 12.244 914 H VAL 119 H VAL 119 3.145 5.287 6.978 915 HA VAL 119 HA VAL 119 3.181 8.202 6.639 916 HB VAL 119 HB VAL 119 3.096 7.531 4.116 917 1HG1 VAL 119 1HG1 VAL 119 5.414 7.860 5.966 918 2HG1 VAL 119 2HG1 VAL 119 5.764 7.346 4.299 919 3HG1 VAL 119 3HG1 VAL 119 4.886 8.866 4.595 920 1HG2 VAL 119 1HG2 VAL 119 3.170 5.004 5.025 921 2HG2 VAL 119 2HG2 VAL 119 3.864 5.490 3.459 922 3HG2 VAL 119 3HG2 VAL 119 4.919 5.301 4.881 923 H ALA 120 H ALA 120 1.252 9.100 5.707 924 HA ALA 120 HA ALA 120 -1.004 7.214 5.766 925 1HB ALA 120 1HB ALA 120 -2.342 9.212 6.510 926 2HB ALA 120 2HB ALA 120 -1.101 8.700 7.679 927 3HB ALA 120 3HB ALA 120 -0.819 10.122 6.646 928 H LEU 121 H LEU 121 -2.869 7.907 4.347 929 HA LEU 121 HA LEU 121 -1.880 9.410 2.026 930 1HB LEU 121 1HB LEU 121 -3.059 7.857 0.571 931 2HB LEU 121 2HB LEU 121 -1.776 7.080 1.477 932 HG LEU 121 HG LEU 121 -4.506 6.933 2.655 933 1HD1 LEU 121 1HD1 LEU 121 -5.527 6.056 0.894 934 2HD1 LEU 121 2HD1 LEU 121 -4.045 6.200 -0.080 935 3HD1 LEU 121 3HD1 LEU 121 -4.335 4.734 0.885 936 1HD2 LEU 121 1HD2 LEU 121 -2.077 5.805 3.234 937 2HD2 LEU 121 2HD2 LEU 121 -3.657 5.197 3.783 938 3HD2 LEU 121 3HD2 LEU 121 -2.890 4.501 2.335 939 H ASN 122 H ASN 122 -3.334 10.855 1.090 940 HA ASN 122 HA ASN 122 -5.894 11.006 2.479 941 1HB ASN 122 1HB ASN 122 -4.072 12.875 2.889 942 2HB ASN 122 2HB ASN 122 -4.476 13.419 1.273 943 1HD2 ASN 122 1HD2 ASN 122 -4.860 15.123 3.276 944 2HD2 ASN 122 2HD2 ASN 122 -6.538 15.353 3.640 945 H PHE 123 H PHE 123 -7.376 10.269 0.928 946 HA PHE 123 HA PHE 123 -6.903 10.332 -1.816 947 1HB PHE 123 1HB PHE 123 -9.500 10.275 -0.163 948 2HB PHE 123 2HB PHE 123 -9.396 9.788 -1.843 949 HD1 PHE 123 1HD PHE 123 -8.243 7.708 -2.465 950 HD2 PHE 123 2HD PHE 123 -8.710 8.835 1.600 951 HE1 PHE 123 1HE PHE 123 -7.693 5.365 -1.752 952 HE2 PHE 123 2HE PHE 123 -8.160 6.492 2.312 953 HZ PHE 123 HZ PHE 123 -7.658 4.784 0.629 954 H ALA 124 H ALA 124 -8.297 11.472 -3.476 955 HA ALA 124 HA ALA 124 -8.371 14.289 -2.795 956 1HB ALA 124 1HB ALA 124 -8.088 14.641 -5.044 957 2HB ALA 124 2HB ALA 124 -7.461 12.977 -4.971 958 3HB ALA 124 3HB ALA 124 -9.134 13.276 -5.501 959 H ASN 125 H ASN 125 -10.523 11.534 -3.449 960 HA ASN 125 HA ASN 125 -12.758 13.384 -3.151 961 1HB ASN 125 1HB ASN 125 -12.243 11.431 -5.174 962 2HB ASN 125 2HB ASN 125 -13.510 10.741 -4.179 963 1HD2 ASN 125 1HD2 ASN 125 -13.707 11.632 -6.882 964 2HD2 ASN 125 2HD2 ASN 125 -14.880 12.903 -6.962 965 H GLU 126 H GLU 126 -14.587 12.542 -1.811 966 HA GLU 126 HA GLU 126 -13.615 11.004 0.360 967 1HB GLU 126 1HB GLU 126 -15.156 12.913 0.686 968 2HB GLU 126 2HB GLU 126 -16.398 12.097 -0.243 969 1HG GLU 126 1HG GLU 126 -17.051 10.864 1.551 970 2HG GLU 126 2HG GLU 126 -15.410 10.336 1.869 971 H GLU 127 H GLU 127 -16.191 10.571 -2.162 972 HA GLU 127 HA GLU 127 -17.052 8.115 -1.340 973 1HB GLU 127 1HB GLU 127 -17.397 9.833 -3.605 974 2HB GLU 127 2HB GLU 127 -17.061 8.231 -4.233 975 1HG GLU 127 1HG GLU 127 -19.410 8.212 -3.945 976 2HG GLU 127 2HG GLU 127 -18.829 7.377 -2.518 977 H GLU 128 H GLU 128 -14.439 8.929 -3.725 978 HA GLU 128 HA GLU 128 -13.800 6.379 -4.434 979 1HB GLU 128 1HB GLU 128 -12.634 9.018 -4.656 980 2HB GLU 128 2HB GLU 128 -11.361 7.876 -4.274 981 1HG GLU 128 1HG GLU 128 -12.841 6.482 -6.180 982 2HG GLU 128 2HG GLU 128 -12.983 8.135 -6.745 983 H ALA 129 H ALA 129 -12.983 8.205 -1.480 984 HA ALA 129 HA ALA 129 -10.975 6.401 -0.604 985 1HB ALA 129 1HB ALA 129 -10.749 8.461 0.401 986 2HB ALA 129 2HB ALA 129 -12.505 8.736 0.482 987 3HB ALA 129 3HB ALA 129 -11.720 7.647 1.652 988 H LYS 130 H LYS 130 -14.529 6.676 -0.261 989 HA LYS 130 HA LYS 130 -14.670 4.653 1.745 990 1HB LYS 130 1HB LYS 130 -16.586 6.315 0.174 991 2HB LYS 130 2HB LYS 130 -17.190 4.808 0.832 992 1HG LYS 130 1HG LYS 130 -17.102 5.568 2.994 993 2HG LYS 130 2HG LYS 130 -15.541 6.329 2.766 994 1HD LYS 130 1HD LYS 130 -16.524 8.360 2.566 995 2HD LYS 130 2HD LYS 130 -17.462 7.800 1.196 996 1HE LYS 130 1HE LYS 130 -18.761 6.612 3.385 997 2HE LYS 130 2HE LYS 130 -18.295 8.183 4.005 998 1HZ LYS 130 1HZ LYS 130 -19.517 9.245 2.397 999 2HZ LYS 130 2HZ LYS 130 -19.547 7.969 1.378 1000 3HZ LYS 130 3HZ LYS 130 -20.467 7.958 2.728 1001 H LYS 131 H LYS 131 -14.655 4.797 -1.803 1002 HA LYS 131 HA LYS 131 -15.624 2.119 -2.089 1003 1HB LYS 131 1HB LYS 131 -14.216 3.769 -4.193 1004 2HB LYS 131 2HB LYS 131 -15.372 2.472 -4.421 1005 1HG LYS 131 1HG LYS 131 -16.488 4.602 -2.731 1006 2HG LYS 131 2HG LYS 131 -15.942 5.236 -4.271 1007 1HD LYS 131 1HD LYS 131 -17.239 3.361 -5.418 1008 2HD LYS 131 2HD LYS 131 -17.892 2.924 -3.852 1009 1HE LYS 131 1HE LYS 131 -18.726 5.346 -3.639 1010 2HE LYS 131 2HE LYS 131 -18.260 5.579 -5.312 1011 1HZ LYS 131 1HZ LYS 131 -19.829 4.066 -6.016 1012 2HZ LYS 131 2HZ LYS 131 -19.994 3.354 -4.556 1013 3HZ LYS 131 3HZ LYS 131 -20.613 4.843 -4.813 1014 H PHE 132 H PHE 132 -12.490 3.780 -1.776 1015 HA PHE 132 HA PHE 132 -10.869 1.742 -2.739 1016 1HB PHE 132 1HB PHE 132 -10.655 4.300 -1.620 1017 2HB PHE 132 2HB PHE 132 -9.995 3.314 -0.330 1018 HD1 PHE 132 1HD PHE 132 -7.845 2.300 -0.528 1019 HD2 PHE 132 2HD PHE 132 -9.563 4.294 -3.856 1020 HE1 PHE 132 1HE PHE 132 -5.634 2.226 -1.713 1021 HE2 PHE 132 2HE PHE 132 -7.353 4.219 -5.042 1022 HZ PHE 132 HZ PHE 132 -5.414 3.187 -3.957 1023 H ARG 133 H ARG 133 -11.778 2.523 0.699 1024 HA ARG 133 HA ARG 133 -10.497 0.351 1.775 1025 1HB ARG 133 1HB ARG 133 -11.747 2.480 2.835 1026 2HB ARG 133 2HB ARG 133 -13.079 1.353 2.994 1027 1HG ARG 133 1HG ARG 133 -11.207 -0.243 4.036 1028 2HG ARG 133 2HG ARG 133 -10.356 1.265 4.305 1029 1HD ARG 133 1HD ARG 133 -11.641 1.684 6.128 1030 2HD ARG 133 2HD ARG 133 -13.082 1.678 5.131 1031 HE ARG 133 HE ARG 133 -13.521 -0.551 5.775 1032 1HH1 ARG 133 2HH2 ARG 133 -10.307 0.411 6.838 1033 2HH1 ARG 133 1HH2 ARG 133 -10.087 -0.978 7.849 1034 1HH2 ARG 133 2HH1 ARG 133 -13.231 -2.383 7.109 1035 2HH2 ARG 133 1HH1 ARG 133 -11.761 -2.578 8.005 1036 H LYS 134 H LYS 134 -13.740 0.719 0.307 1037 HA LYS 134 HA LYS 134 -14.805 -1.708 1.247 1038 1HB LYS 134 1HB LYS 134 -15.724 0.505 -0.153 1039 2HB LYS 134 2HB LYS 134 -15.818 -0.780 -1.341 1040 1HG LYS 134 1HG LYS 134 -17.746 -1.441 -0.342 1041 2HG LYS 134 2HG LYS 134 -16.778 -1.992 1.010 1042 1HD LYS 134 1HD LYS 134 -17.003 0.183 2.135 1043 2HD LYS 134 2HD LYS 134 -17.805 0.871 0.736 1044 1HE LYS 134 1HE LYS 134 -19.205 -1.550 1.526 1045 2HE LYS 134 2HE LYS 134 -19.002 -0.527 2.934 1046 1HZ LYS 134 1HZ LYS 134 -20.576 -0.083 0.594 1047 2HZ LYS 134 2HZ LYS 134 -20.762 0.514 2.103 1048 3HZ LYS 134 3HZ LYS 134 -19.725 1.229 1.064 1049 H ALA 135 H ALA 135 -12.883 -0.780 -1.647 1050 HA ALA 135 HA ALA 135 -13.129 -3.261 -2.943 1051 1HB ALA 135 1HB ALA 135 -10.698 -1.506 -3.219 1052 2HB ALA 135 2HB ALA 135 -11.635 -2.352 -4.474 1053 3HB ALA 135 3HB ALA 135 -12.284 -0.875 -3.722 1054 H VAL 136 H VAL 136 -10.547 -1.864 -0.803 1055 HA VAL 136 HA VAL 136 -8.838 -4.005 -0.833 1056 HB VAL 136 HB VAL 136 -9.533 -1.987 1.299 1057 1HG1 VAL 136 1HG1 VAL 136 -8.615 -3.811 2.528 1058 2HG1 VAL 136 2HG1 VAL 136 -7.353 -4.092 1.305 1059 3HG1 VAL 136 3HG1 VAL 136 -7.303 -2.627 2.315 1060 1HG2 VAL 136 1HG2 VAL 136 -7.726 -2.088 -1.037 1061 2HG2 VAL 136 2HG2 VAL 136 -8.455 -0.694 -0.204 1062 3HG2 VAL 136 3HG2 VAL 136 -6.989 -1.458 0.456 1063 H THR 137 H THR 137 -11.396 -3.345 1.673 1064 HA THR 137 HA THR 137 -11.166 -5.739 3.010 1065 HB THR 137 HB THR 137 -13.485 -5.180 3.781 1066 HG1 THR 137 1HG THR 137 -13.274 -3.023 1.833 1067 1HG2 THR 137 1HG2 THR 137 -12.321 -3.608 4.997 1068 2HG2 THR 137 2HG2 THR 137 -11.310 -3.160 3.602 1069 3HG2 THR 137 3HG2 THR 137 -12.932 -2.451 3.790 1070 H ASP 138 H ASP 138 -13.275 -4.977 0.168 1071 HA ASP 138 HA ASP 138 -14.534 -7.379 0.044 1072 1HB ASP 138 1HB ASP 138 -13.900 -5.164 -1.806 1073 2HB ASP 138 2HB ASP 138 -14.070 -6.694 -2.642 1074 H LEU 139 H LEU 139 -11.314 -6.333 -1.212 1075 HA LEU 139 HA LEU 139 -10.798 -8.731 -2.625 1076 1HB LEU 139 1HB LEU 139 -9.799 -6.444 -3.008 1077 2HB LEU 139 2HB LEU 139 -8.807 -6.715 -1.588 1078 HG LEU 139 HG LEU 139 -8.786 -8.654 -3.900 1079 1HD1 LEU 139 1HD1 LEU 139 -7.590 -5.939 -3.759 1080 2HD1 LEU 139 2HD1 LEU 139 -6.550 -7.247 -4.372 1081 3HD1 LEU 139 3HD1 LEU 139 -8.106 -6.903 -5.163 1082 1HD2 LEU 139 1HD2 LEU 139 -6.604 -9.265 -3.049 1083 2HD2 LEU 139 2HD2 LEU 139 -6.694 -7.987 -1.811 1084 3HD2 LEU 139 3HD2 LEU 139 -7.812 -9.370 -1.746 1085 H LEU 140 H LEU 140 -9.867 -7.460 0.633 1086 HA LEU 140 HA LEU 140 -8.309 -9.670 1.335 1087 1HB LEU 140 1HB LEU 140 -9.510 -7.330 2.656 1088 2HB LEU 140 2HB LEU 140 -9.255 -8.708 3.708 1089 HG LEU 140 HG LEU 140 -6.849 -8.528 2.342 1090 1HD1 LEU 140 1HD1 LEU 140 -6.208 -6.385 1.961 1091 2HD1 LEU 140 2HD1 LEU 140 -7.951 -6.193 1.652 1092 3HD1 LEU 140 3HD1 LEU 140 -7.268 -5.718 3.227 1093 1HD2 LEU 140 1HD2 LEU 140 -7.332 -7.135 4.971 1094 2HD2 LEU 140 2HD2 LEU 140 -7.430 -8.906 4.816 1095 3HD2 LEU 140 3HD2 LEU 140 -5.911 -8.061 4.430 1096 H GLY 141 H GLY 141 -11.824 -9.024 1.461 1097 1HA GLY 141 1HA GLY 141 -12.489 -11.243 3.101 1098 2HA GLY 141 2HA GLY 141 -13.564 -10.322 2.067 1099 H ARG 142 H ARG 142 -12.478 -10.686 -0.492 1100 HA ARG 142 HA ARG 142 -13.462 -13.209 -1.080 1101 1HB ARG 142 1HB ARG 142 -13.303 -11.116 -2.599 1102 2HB ARG 142 2HB ARG 142 -11.627 -11.547 -2.870 1103 1HG ARG 142 1HG ARG 142 -12.366 -12.876 -4.559 1104 2HG ARG 142 2HG ARG 142 -12.955 -13.966 -3.321 1105 1HD ARG 142 1HD ARG 142 -15.109 -13.532 -3.894 1106 2HD ARG 142 2HD ARG 142 -14.875 -11.816 -3.627 1107 HE ARG 142 HE ARG 142 -13.645 -12.342 -6.095 1108 1HH1 ARG 142 2HH2 ARG 142 -16.877 -12.673 -4.744 1109 2HH1 ARG 142 1HH2 ARG 142 -17.675 -12.458 -6.266 1110 1HH2 ARG 142 2HH1 ARG 142 -14.696 -12.057 -8.104 1111 2HH2 ARG 142 1HH1 ARG 142 -16.425 -12.105 -8.190 1112 H ARG 143 H ARG 143 -10.126 -11.871 -0.762 1113 HA ARG 143 HA ARG 143 -8.190 -12.801 -0.537 1114 1HB ARG 143 1HB ARG 143 -9.622 -14.287 1.118 1115 2HB ARG 143 2HB ARG 143 -9.424 -15.544 -0.086 1116 1HG ARG 143 1HG ARG 143 -6.988 -14.019 0.872 1117 2HG ARG 143 2HG ARG 143 -7.657 -15.284 1.883 1118 1HD ARG 143 1HD ARG 143 -6.973 -15.737 -1.056 1119 2HD ARG 143 2HD ARG 143 -5.810 -16.002 0.229 1120 HE ARG 143 HE ARG 143 -8.039 -17.433 1.067 1121 1HH1 ARG 143 2HH2 ARG 143 -6.082 -17.416 -1.857 1122 2HH1 ARG 143 1HH2 ARG 143 -6.367 -19.087 -2.211 1123 1HH2 ARG 143 2HH1 ARG 143 -8.415 -19.639 0.601 1124 2HH2 ARG 143 1HH1 ARG 143 -7.703 -20.360 -0.804 1125 H GLN 144 H GLN 144 -7.305 -12.696 -2.620 1126 HA GLN 144 HA GLN 144 -6.996 -15.126 -3.981 1127 1HB GLN 144 1HB GLN 144 -9.364 -14.391 -4.679 1128 2HB GLN 144 2HB GLN 144 -8.608 -13.053 -5.520 1129 1HG GLN 144 1HG GLN 144 -7.193 -15.483 -6.216 1130 2HG GLN 144 2HG GLN 144 -8.911 -15.765 -6.423 1131 1HE2 GLN 144 1HE2 GLN 144 -10.038 -14.762 -8.002 1132 2HE2 GLN 144 2HE2 GLN 144 -9.344 -13.749 -9.224 Start of MODEL 7 1 1H ASP 1 H ASP 1 -9.058 17.506 6.184 2 HA ASP 1 HA ASP 1 -8.526 19.169 8.470 3 1HB ASP 1 1HB ASP 1 -10.725 17.093 8.305 4 2HB ASP 1 2HB ASP 1 -9.900 17.339 9.830 5 H LEU 2 H LEU 2 -6.391 18.448 8.755 6 HA LEU 2 HA LEU 2 -5.657 15.764 8.134 7 1HB LEU 2 1HB LEU 2 -4.304 18.242 9.072 8 2HB LEU 2 2HB LEU 2 -3.509 16.714 9.399 9 HG LEU 2 HG LEU 2 -4.402 17.576 6.637 10 1HD1 LEU 2 1HD1 LEU 2 -2.802 19.182 7.115 11 2HD1 LEU 2 2HD1 LEU 2 -1.835 18.076 8.118 12 3HD1 LEU 2 3HD1 LEU 2 -1.842 17.894 6.348 13 1HD2 LEU 2 1HD2 LEU 2 -3.602 15.076 7.636 14 2HD2 LEU 2 2HD2 LEU 2 -3.781 15.564 5.933 15 3HD2 LEU 2 3HD2 LEU 2 -2.201 15.711 6.740 16 HA PRO 3 HA PRO 3 -6.685 14.179 12.049 17 1HB PRO 3 1HB PRO 3 -5.883 11.600 11.629 18 2HB PRO 3 2HB PRO 3 -7.450 12.210 11.133 19 1HG PRO 3 1HG PRO 3 -5.078 11.622 9.469 20 2HG PRO 3 2HG PRO 3 -6.747 11.816 8.972 21 1HD PRO 3 1HD PRO 3 -4.633 13.731 8.672 22 2HD PRO 3 2HD PRO 3 -6.326 13.967 8.281 23 HA PRO 4 HA PRO 4 -3.167 14.135 14.418 24 1HB PRO 4 1HB PRO 4 -3.813 12.560 16.556 25 2HB PRO 4 2HB PRO 4 -4.330 14.227 16.404 26 1HG PRO 4 1HG PRO 4 -5.910 11.757 16.030 27 2HG PRO 4 2HG PRO 4 -6.478 13.393 16.302 28 1HD PRO 4 1HD PRO 4 -6.451 11.977 13.808 29 2HD PRO 4 2HD PRO 4 -6.909 13.649 14.058 30 HA PRO 5 HA PRO 5 -0.807 10.800 13.211 31 1HB PRO 5 1HB PRO 5 1.636 11.635 14.106 32 2HB PRO 5 2HB PRO 5 0.951 12.144 12.576 33 1HG PRO 5 1HG PRO 5 1.190 13.669 15.097 34 2HG PRO 5 2HG PRO 5 0.912 14.268 13.474 35 1HD PRO 5 1HD PRO 5 -1.036 14.000 15.561 36 2HD PRO 5 2HD PRO 5 -1.335 14.488 13.905 37 H GLU 6 H GLU 6 -0.448 8.781 13.939 38 HA GLU 6 HA GLU 6 -0.413 8.649 16.844 39 1HB GLU 6 1HB GLU 6 -1.578 6.964 14.687 40 2HB GLU 6 2HB GLU 6 -0.846 6.062 15.999 41 1HG GLU 6 1HG GLU 6 -2.221 7.293 17.655 42 2HG GLU 6 2HG GLU 6 -2.900 8.290 16.385 43 HA PRO 7 HA PRO 7 3.626 7.067 16.721 44 1HB PRO 7 1HB PRO 7 3.756 5.716 19.093 45 2HB PRO 7 2HB PRO 7 3.932 7.455 18.970 46 1HG PRO 7 1HG PRO 7 1.619 5.890 19.940 47 2HG PRO 7 2HG PRO 7 1.983 7.584 20.197 48 1HD PRO 7 1HD PRO 7 0.053 6.503 18.372 49 2HD PRO 7 2HD PRO 7 0.501 8.188 18.548 50 H TYR 8 H TYR 8 4.435 5.642 15.331 51 HA TYR 8 HA TYR 8 3.053 3.086 15.215 52 1HB TYR 8 1HB TYR 8 3.474 4.038 13.059 53 2HB TYR 8 2HB TYR 8 4.958 4.803 13.588 54 HD1 TYR 8 1HD TYR 8 7.041 3.834 13.087 55 HD2 TYR 8 2HD TYR 8 3.496 1.457 12.790 56 HE1 TYR 8 1HE TYR 8 8.382 1.956 12.021 57 HE2 TYR 8 2HE TYR 8 4.850 -0.414 11.724 58 HH TYR 8 HH TYR 8 7.991 -0.713 11.943 59 H VAL 9 H VAL 9 3.898 1.157 15.902 60 HA VAL 9 HA VAL 9 6.723 1.182 16.697 61 HB VAL 9 HB VAL 9 5.415 1.448 18.691 62 1HG1 VAL 9 1HG1 VAL 9 3.243 0.693 17.927 63 2HG1 VAL 9 2HG1 VAL 9 3.843 -0.973 17.751 64 3HG1 VAL 9 3HG1 VAL 9 3.715 -0.240 19.368 65 1HG2 VAL 9 1HG2 VAL 9 7.335 -0.377 18.405 66 2HG2 VAL 9 2HG2 VAL 9 6.456 -0.165 19.938 67 3HG2 VAL 9 3HG2 VAL 9 6.003 -1.480 18.827 68 H GLN 10 H GLN 10 7.897 -0.616 16.077 69 HA GLN 10 HA GLN 10 6.749 -3.075 15.554 70 1HB GLN 10 1HB GLN 10 6.473 -1.186 13.377 71 2HB GLN 10 2HB GLN 10 7.572 -2.458 12.881 72 1HG GLN 10 1HG GLN 10 4.886 -3.048 14.200 73 2HG GLN 10 2HG GLN 10 5.060 -2.878 12.464 74 1HE2 GLN 10 1HE2 GLN 10 4.203 -5.190 13.848 75 2HE2 GLN 10 2HE2 GLN 10 5.324 -6.477 13.553 76 H THR 11 H THR 11 8.415 -4.538 14.291 77 HA THR 11 HA THR 11 11.120 -3.516 14.857 78 HB THR 11 HB THR 11 10.368 -5.171 16.558 79 HG1 THR 11 1HG THR 11 12.586 -5.249 15.783 80 1HG2 THR 11 1HG2 THR 11 9.839 -7.466 15.933 81 2HG2 THR 11 2HG2 THR 11 8.747 -6.417 14.998 82 3HG2 THR 11 3HG2 THR 11 10.177 -7.132 14.218 83 H THR 12 H THR 12 9.188 -5.897 12.932 84 HA THR 12 HA THR 12 10.374 -5.095 10.517 85 HB THR 12 HB THR 12 12.382 -6.204 11.568 86 HG1 THR 12 1HG THR 12 11.097 -6.619 9.199 87 1HG2 THR 12 1HG2 THR 12 11.515 -7.998 12.914 88 2HG2 THR 12 2HG2 THR 12 10.446 -8.561 11.608 89 3HG2 THR 12 3HG2 THR 12 12.204 -8.808 11.488 90 H LYS 13 H LYS 13 9.246 -5.880 8.767 91 HA LYS 13 HA LYS 13 7.068 -7.703 9.501 92 1HB LYS 13 1HB LYS 13 7.236 -5.557 7.366 93 2HB LYS 13 2HB LYS 13 5.909 -6.692 7.515 94 1HG LYS 13 1HG LYS 13 4.957 -5.285 9.016 95 2HG LYS 13 2HG LYS 13 6.249 -5.678 10.132 96 1HD LYS 13 1HD LYS 13 6.529 -3.373 10.023 97 2HD LYS 13 2HD LYS 13 7.606 -3.854 8.728 98 1HE LYS 13 1HE LYS 13 4.756 -3.489 7.914 99 2HE LYS 13 2HE LYS 13 5.560 -2.027 8.447 100 1HZ LYS 13 1HZ LYS 13 6.612 -3.854 6.399 101 2HZ LYS 13 2HZ LYS 13 5.852 -2.442 6.093 102 3HZ LYS 13 3HZ LYS 13 7.293 -2.444 6.862 103 H SER 14 H SER 14 6.328 -9.179 7.682 104 HA SER 14 HA SER 14 8.696 -10.053 6.219 105 1HB SER 14 1HB SER 14 6.598 -11.562 7.748 106 2HB SER 14 2HB SER 14 7.212 -12.316 6.292 107 HG SER 14 HG SER 14 8.481 -12.950 8.114 108 H TYR 15 H TYR 15 8.442 -10.557 3.996 109 HA TYR 15 HA TYR 15 5.814 -9.826 2.900 110 1HB TYR 15 1HB TYR 15 8.706 -9.831 1.831 111 2HB TYR 15 2HB TYR 15 7.326 -9.413 0.834 112 HD1 TYR 15 1HD TYR 15 6.702 -7.176 0.642 113 HD2 TYR 15 2HD TYR 15 8.966 -8.412 4.055 114 HE1 TYR 15 1HE TYR 15 6.895 -4.757 1.400 115 HE2 TYR 15 2HE TYR 15 9.152 -5.988 4.801 116 HH TYR 15 HH TYR 15 7.484 -3.422 3.020 117 HA PRO 16 HA PRO 16 5.507 -13.853 1.336 118 1HB PRO 16 1HB PRO 16 3.596 -13.488 -0.583 119 2HB PRO 16 2HB PRO 16 3.222 -13.666 1.120 120 1HG PRO 16 1HG PRO 16 3.200 -11.217 -0.536 121 2HG PRO 16 2HG PRO 16 2.439 -11.499 1.017 122 1HD PRO 16 1HD PRO 16 4.846 -10.016 0.529 123 2HD PRO 16 2HD PRO 16 4.147 -10.396 2.091 124 H SER 17 H SER 17 5.773 -11.333 -1.105 125 HA SER 17 HA SER 17 6.623 -13.023 -3.111 126 1HB SER 17 1HB SER 17 7.173 -11.055 -4.312 127 2HB SER 17 2HB SER 17 5.884 -10.553 -3.236 128 HG SER 17 HG SER 17 7.379 -8.983 -2.895 129 H LYS 18 H LYS 18 8.344 -11.437 -0.407 130 HA LYS 18 HA LYS 18 10.804 -12.761 -1.323 131 1HB LYS 18 1HB LYS 18 10.495 -10.085 -1.077 132 2HB LYS 18 2HB LYS 18 10.983 -10.467 0.561 133 1HG LYS 18 1HG LYS 18 13.023 -11.566 -0.223 134 2HG LYS 18 2HG LYS 18 12.501 -11.460 -1.893 135 1HD LYS 18 1HD LYS 18 14.039 -9.655 -1.632 136 2HD LYS 18 2HD LYS 18 12.461 -8.896 -1.586 137 1HE LYS 18 1HE LYS 18 12.734 -9.387 1.066 138 2HE LYS 18 2HE LYS 18 14.434 -9.318 0.648 139 1HZ LYS 18 1HZ LYS 18 14.058 -7.168 -0.333 140 2HZ LYS 18 2HZ LYS 18 12.463 -7.233 0.010 141 3HZ LYS 18 3HZ LYS 18 13.555 -7.161 1.221 142 H LEU 19 H LEU 19 9.155 -14.457 -0.112 143 HA LEU 19 HA LEU 19 9.854 -14.378 2.732 144 1HB LEU 19 1HB LEU 19 7.436 -14.775 1.487 145 2HB LEU 19 2HB LEU 19 7.960 -16.417 1.812 146 HG LEU 19 HG LEU 19 7.965 -14.313 3.975 147 1HD1 LEU 19 1HD1 LEU 19 5.651 -15.455 2.649 148 2HD1 LEU 19 2HD1 LEU 19 5.695 -15.884 4.375 149 3HD1 LEU 19 3HD1 LEU 19 5.750 -14.175 3.881 150 1HD2 LEU 19 1HD2 LEU 19 7.948 -16.159 5.489 151 2HD2 LEU 19 2HD2 LEU 19 7.666 -17.319 4.168 152 3HD2 LEU 19 3HD2 LEU 19 9.222 -16.462 4.283 153 H ALA 20 H ALA 20 10.572 -15.858 -0.328 154 HA ALA 20 HA ALA 20 12.057 -17.402 -0.892 155 1HB ALA 20 1HB ALA 20 13.869 -17.860 0.517 156 2HB ALA 20 2HB ALA 20 13.285 -16.299 1.142 157 3HB ALA 20 3HB ALA 20 12.868 -17.808 1.988 158 H ARG 21 H ARG 21 9.225 -17.883 0.338 159 HA ARG 21 HA ARG 21 7.895 -19.565 0.601 160 1HB ARG 21 1HB ARG 21 10.141 -20.780 -0.922 161 2HB ARG 21 2HB ARG 21 9.198 -21.956 -0.027 162 1HG ARG 21 1HG ARG 21 8.082 -21.805 -2.121 163 2HG ARG 21 2HG ARG 21 7.097 -20.830 -1.049 164 1HD ARG 21 1HD ARG 21 7.484 -18.949 -2.272 165 2HD ARG 21 2HD ARG 21 9.219 -19.191 -2.212 166 HE ARG 21 HE ARG 21 7.412 -20.007 -4.376 167 1HH1 ARG 21 2HH2 ARG 21 10.557 -20.522 -2.885 168 2HH1 ARG 21 1HH2 ARG 21 11.271 -21.182 -4.318 169 1HH2 ARG 21 2HH1 ARG 21 8.354 -20.877 -6.268 170 2HH2 ARG 21 1HH1 ARG 21 10.009 -21.386 -6.255 171 H ASN 22 H ASN 22 7.335 -21.324 2.131 172 HA ASN 22 HA ASN 22 9.464 -22.041 3.948 173 1HB ASN 22 1HB ASN 22 7.654 -19.987 4.585 174 2HB ASN 22 2HB ASN 22 6.929 -21.387 5.348 175 1HD2 ASN 22 1HD2 ASN 22 9.356 -19.027 5.472 176 2HD2 ASN 22 2HD2 ASN 22 10.232 -19.579 6.861 177 H GLU 23 H GLU 23 9.232 -24.245 3.224 178 HA GLU 23 HA GLU 23 7.279 -25.739 4.468 179 1HB GLU 23 1HB GLU 23 6.125 -24.534 2.298 180 2HB GLU 23 2HB GLU 23 6.723 -25.999 1.545 181 1HG GLU 23 1HG GLU 23 5.490 -27.408 3.085 182 2HG GLU 23 2HG GLU 23 5.118 -26.056 4.136 183 H SER 24 H SER 24 7.556 -28.086 4.025 184 HA SER 24 HA SER 24 9.883 -28.628 2.371 185 1HB SER 24 1HB SER 24 10.121 -28.504 5.090 186 2HB SER 24 2HB SER 24 9.652 -30.183 4.916 187 HG SER 24 HG SER 24 11.519 -29.683 3.021 188 H ARG 25 H ARG 25 10.120 -31.227 2.252 189 HA ARG 25 HA ARG 25 9.283 -33.103 1.584 190 1HB ARG 25 1HB ARG 25 6.936 -32.273 3.351 191 2HB ARG 25 2HB ARG 25 6.967 -33.817 2.525 192 1HG ARG 25 1HG ARG 25 8.807 -34.613 3.784 193 2HG ARG 25 2HG ARG 25 9.355 -33.000 4.198 194 1HD ARG 25 1HD ARG 25 7.443 -32.685 5.723 195 2HD ARG 25 2HD ARG 25 6.740 -34.210 5.220 196 HE ARG 25 HE ARG 25 8.315 -35.371 6.541 197 1HH1 ARG 25 2HH2 ARG 25 9.184 -31.967 6.328 198 2HH1 ARG 25 1HH2 ARG 25 10.391 -32.066 7.567 199 1HH2 ARG 25 2HH1 ARG 25 9.908 -35.502 8.175 200 2HH2 ARG 25 1HH1 ARG 25 10.806 -34.090 8.625 201 H GLY 26 H GLY 26 8.151 -33.907 -0.264 202 1HA GLY 26 1HA GLY 26 6.322 -33.855 -1.763 203 2HA GLY 26 2HA GLY 26 6.061 -32.162 -1.389 204 H SER 27 H SER 27 6.203 -31.404 -3.547 205 HA SER 27 HA SER 27 7.205 -30.570 -5.283 206 1HB SER 27 1HB SER 27 9.106 -30.258 -3.342 207 2HB SER 27 2HB SER 27 10.004 -31.245 -4.477 208 HG SER 27 HG SER 27 10.138 -28.856 -4.795 209 H GLY 28 H GLY 28 8.476 -31.200 -7.304 210 1HA GLY 28 1HA GLY 28 9.795 -33.519 -7.783 211 2HA GLY 28 2HA GLY 28 8.113 -34.015 -7.805 212 H SER 29 H SER 29 10.185 -31.297 -9.061 213 HA SER 29 HA SER 29 9.681 -31.858 -11.698 214 1HB SER 29 1HB SER 29 7.361 -30.853 -10.616 215 2HB SER 29 2HB SER 29 8.126 -29.373 -11.159 216 HG SER 29 HG SER 29 8.430 -31.164 -13.153 217 H GLY 30 H GLY 30 11.453 -30.939 -12.668 218 1HA GLY 30 1HA GLY 30 12.879 -28.832 -11.285 219 2HA GLY 30 2HA GLY 30 13.384 -29.717 -12.711 220 H SER 31 H SER 31 10.743 -27.423 -11.705 221 HA SER 31 HA SER 31 9.733 -25.824 -12.788 222 1HB SER 31 1HB SER 31 12.555 -25.312 -13.828 223 2HB SER 31 2HB SER 31 11.239 -24.160 -13.948 224 HG SER 31 HG SER 31 12.075 -25.284 -11.420 225 H LEU 32 H LEU 32 8.437 -27.257 -14.148 226 HA LEU 32 HA LEU 32 9.362 -27.272 -16.937 227 1HB LEU 32 1HB LEU 32 8.654 -29.446 -15.238 228 2HB LEU 32 2HB LEU 32 7.413 -29.300 -16.468 229 HG LEU 32 HG LEU 32 9.634 -29.103 -18.020 230 1HD1 LEU 32 1HD1 LEU 32 11.484 -29.710 -16.956 231 2HD1 LEU 32 2HD1 LEU 32 10.568 -30.111 -15.483 232 3HD1 LEU 32 3HD1 LEU 32 10.785 -31.335 -16.758 233 1HD2 LEU 32 1HD2 LEU 32 9.298 -31.746 -18.156 234 2HD2 LEU 32 2HD2 LEU 32 7.844 -31.342 -17.210 235 3HD2 LEU 32 3HD2 LEU 32 8.107 -30.592 -18.803 236 H PHE 33 H PHE 33 8.215 -24.975 -16.184 237 HA PHE 33 HA PHE 33 5.778 -25.026 -17.661 238 1HB PHE 33 1HB PHE 33 5.690 -25.430 -14.847 239 2HB PHE 33 2HB PHE 33 5.384 -23.713 -15.018 240 HD1 PHE 33 1HD PHE 33 3.980 -26.987 -15.225 241 HD2 PHE 33 2HD PHE 33 3.482 -22.994 -16.572 242 HE1 PHE 33 1HE PHE 33 1.579 -27.471 -15.770 243 HE2 PHE 33 2HE PHE 33 1.080 -23.477 -17.117 244 HZ PHE 33 HZ PHE 33 0.158 -25.710 -16.709 245 H SER 34 H SER 34 6.500 -23.431 -19.045 246 HA SER 34 HA SER 34 7.536 -21.030 -17.767 247 1HB SER 34 1HB SER 34 8.570 -22.522 -19.867 248 2HB SER 34 2HB SER 34 7.729 -21.244 -20.719 249 HG SER 34 HG SER 34 10.070 -21.133 -19.216 250 H PHE 35 H PHE 35 5.327 -20.319 -17.195 251 HA PHE 35 HA PHE 35 3.652 -19.665 -19.493 252 1HB PHE 35 1HB PHE 35 2.519 -20.823 -17.670 253 2HB PHE 35 2HB PHE 35 3.351 -19.874 -16.453 254 HD1 PHE 35 1HD PHE 35 1.195 -19.125 -19.421 255 HD2 PHE 35 2HD PHE 35 1.978 -18.437 -15.308 256 HE1 PHE 35 1HE PHE 35 -0.760 -17.554 -19.311 257 HE2 PHE 35 2HE PHE 35 0.023 -16.867 -15.198 258 HZ PHE 35 HZ PHE 35 -1.323 -16.444 -17.201 259 H LEU 36 H LEU 36 4.982 -18.166 -16.459 260 HA LEU 36 HA LEU 36 5.544 -16.087 -15.980 261 1HB LEU 36 1HB LEU 36 6.929 -16.323 -18.006 262 2HB LEU 36 2HB LEU 36 5.622 -15.664 -18.970 263 HG LEU 36 HG LEU 36 5.773 -13.552 -17.602 264 1HD1 LEU 36 1HD1 LEU 36 8.388 -14.724 -16.620 265 2HD1 LEU 36 2HD1 LEU 36 7.707 -13.123 -16.244 266 3HD1 LEU 36 3HD1 LEU 36 6.905 -14.595 -15.644 267 1HD2 LEU 36 1HD2 LEU 36 7.055 -12.710 -19.221 268 2HD2 LEU 36 2HD2 LEU 36 8.459 -13.694 -18.742 269 3HD2 LEU 36 3HD2 LEU 36 7.214 -14.381 -19.812 270 H GLY 37 H GLY 37 3.947 -15.070 -14.886 271 1HA GLY 37 1HA GLY 37 1.354 -14.781 -15.447 272 2HA GLY 37 2HA GLY 37 2.277 -13.556 -14.600 273 H LYS 38 H LYS 38 0.093 -13.864 -17.005 274 HA LYS 38 HA LYS 38 1.108 -12.658 -19.244 275 1HB LYS 38 1HB LYS 38 -1.213 -13.666 -18.774 276 2HB LYS 38 2HB LYS 38 -1.652 -12.085 -18.156 277 1HG LYS 38 1HG LYS 38 -0.727 -11.141 -20.404 278 2HG LYS 38 2HG LYS 38 -0.747 -12.798 -20.974 279 1HD LYS 38 1HD LYS 38 -3.168 -12.975 -20.533 280 2HD LYS 38 2HD LYS 38 -3.186 -11.381 -19.802 281 1HE LYS 38 1HE LYS 38 -2.274 -11.819 -22.678 282 2HE LYS 38 2HE LYS 38 -3.958 -11.556 -22.273 283 1HZ LYS 38 1HZ LYS 38 -2.773 -9.582 -20.951 284 2HZ LYS 38 2HZ LYS 38 -1.781 -9.701 -22.241 285 3HZ LYS 38 3HZ LYS 38 -3.376 -9.431 -22.461 286 H LYS 39 H LYS 39 -0.592 -10.965 -16.506 287 HA LYS 39 HA LYS 39 1.337 -8.937 -16.360 288 1HB LYS 39 1HB LYS 39 -0.484 -8.623 -18.532 289 2HB LYS 39 2HB LYS 39 -0.907 -7.432 -17.318 290 1HG LYS 39 1HG LYS 39 2.022 -7.775 -17.865 291 2HG LYS 39 2HG LYS 39 1.077 -7.056 -19.153 292 1HD LYS 39 1HD LYS 39 0.742 -5.107 -17.995 293 2HD LYS 39 2HD LYS 39 0.427 -5.940 -16.487 294 1HE LYS 39 1HE LYS 39 2.465 -5.113 -15.849 295 2HE LYS 39 2HE LYS 39 3.117 -6.451 -16.773 296 1HZ LYS 39 1HZ LYS 39 2.480 -4.222 -18.406 297 2HZ LYS 39 2HZ LYS 39 3.572 -3.841 -17.253 298 3HZ LYS 39 3HZ LYS 39 3.876 -5.060 -18.295 299 H CYS 40 H CYS 40 0.924 -7.540 -14.574 300 HA CYS 40 HA CYS 40 -0.679 -8.677 -12.608 301 1HB CYS 40 1HB CYS 40 -0.208 -6.542 -11.352 302 2HB CYS 40 2HB CYS 40 1.208 -7.399 -11.927 303 HG CYS 40 HG CYS 40 1.264 -4.662 -12.132 304 H VAL 41 H VAL 41 -2.762 -8.092 -11.808 305 HA VAL 41 HA VAL 41 -4.371 -6.627 -13.736 306 HB VAL 41 HB VAL 41 -6.221 -7.502 -12.196 307 1HG1 VAL 41 1HG1 VAL 41 -4.783 -9.845 -13.341 308 2HG1 VAL 41 2HG1 VAL 41 -6.461 -9.298 -13.575 309 3HG1 VAL 41 3HG1 VAL 41 -5.132 -8.493 -14.445 310 1HG2 VAL 41 1HG2 VAL 41 -4.556 -7.993 -10.318 311 2HG2 VAL 41 2HG2 VAL 41 -5.753 -9.257 -10.683 312 3HG2 VAL 41 3HG2 VAL 41 -4.079 -9.424 -11.262 313 H THR 42 H THR 42 -5.823 -4.899 -13.061 314 HA THR 42 HA THR 42 -4.765 -3.474 -10.710 315 HB THR 42 HB THR 42 -5.978 -2.478 -13.341 316 HG1 THR 42 1HG THR 42 -3.682 -3.331 -13.139 317 1HG2 THR 42 1HG2 THR 42 -4.661 -0.369 -12.063 318 2HG2 THR 42 2HG2 THR 42 -6.429 -0.567 -12.144 319 3HG2 THR 42 3HG2 THR 42 -5.531 -1.153 -10.723 320 H MET 43 H MET 43 -6.131 -2.698 -9.144 321 HA MET 43 HA MET 43 -8.760 -3.871 -9.246 322 1HB MET 43 1HB MET 43 -6.800 -3.309 -7.231 323 2HB MET 43 2HB MET 43 -8.156 -2.262 -6.860 324 1HG MET 43 1HG MET 43 -8.999 -5.009 -7.583 325 2HG MET 43 2HG MET 43 -7.951 -4.970 -6.179 326 1HE MET 43 1HE MET 43 -9.263 -3.226 -3.586 327 2HE MET 43 2HE MET 43 -8.030 -2.842 -4.811 328 3HE MET 43 3HE MET 43 -9.448 -1.784 -4.614 329 H SER 44 H SER 44 -7.527 -0.669 -8.026 330 HA SER 44 HA SER 44 -9.486 0.635 -9.681 331 1HB SER 44 1HB SER 44 -10.584 0.049 -7.436 332 2HB SER 44 2HB SER 44 -9.446 1.146 -6.678 333 HG SER 44 HG SER 44 -11.061 2.540 -7.083 334 H SER 45 H SER 45 -9.232 3.164 -9.349 335 HA SER 45 HA SER 45 -6.491 3.746 -8.581 336 1HB SER 45 1HB SER 45 -6.027 4.947 -10.589 337 2HB SER 45 2HB SER 45 -6.739 3.435 -11.111 338 HG SER 45 HG SER 45 -7.557 5.880 -11.752 339 H ALA 46 H ALA 46 -6.471 5.429 -7.135 340 HA ALA 46 HA ALA 46 -8.466 7.530 -7.457 341 1HB ALA 46 1HB ALA 46 -8.062 6.747 -4.650 342 2HB ALA 46 2HB ALA 46 -9.569 7.096 -5.532 343 3HB ALA 46 3HB ALA 46 -8.837 5.475 -5.625 344 H VAL 47 H VAL 47 -7.527 9.511 -7.253 345 HA VAL 47 HA VAL 47 -4.750 9.683 -6.845 346 HB VAL 47 HB VAL 47 -6.950 11.754 -6.928 347 1HG1 VAL 47 1HG1 VAL 47 -5.363 13.070 -5.970 348 2HG1 VAL 47 2HG1 VAL 47 -4.023 12.013 -6.470 349 3HG1 VAL 47 3HG1 VAL 47 -4.749 13.142 -7.638 350 1HG2 VAL 47 1HG2 VAL 47 -6.689 11.842 -9.186 351 2HG2 VAL 47 2HG2 VAL 47 -4.953 11.454 -9.114 352 3HG2 VAL 47 3HG2 VAL 47 -6.162 10.158 -8.948 353 H VAL 48 H VAL 48 -3.619 9.627 -4.979 354 HA VAL 48 HA VAL 48 -4.983 10.618 -2.577 355 HB VAL 48 HB VAL 48 -4.446 8.779 -1.348 356 1HG1 VAL 48 1HG1 VAL 48 -5.502 7.062 -2.382 357 2HG1 VAL 48 2HG1 VAL 48 -5.766 8.271 -3.661 358 3HG1 VAL 48 3HG1 VAL 48 -4.426 7.107 -3.798 359 1HG2 VAL 48 1HG2 VAL 48 -2.086 8.589 -3.154 360 2HG2 VAL 48 2HG2 VAL 48 -2.194 8.441 -1.383 361 3HG2 VAL 48 3HG2 VAL 48 -2.665 7.075 -2.421 362 H GLN 49 H GLN 49 -3.330 11.159 -0.804 363 HA GLN 49 HA GLN 49 -0.952 12.220 -2.121 364 1HB GLN 49 1HB GLN 49 -2.410 13.408 0.280 365 2HB GLN 49 2HB GLN 49 -1.032 14.110 -0.545 366 1HG GLN 49 1HG GLN 49 -2.397 14.239 -2.661 367 2HG GLN 49 2HG GLN 49 -3.778 13.605 -1.788 368 1HE2 GLN 49 1HE2 GLN 49 -3.675 16.081 -3.117 369 2HE2 GLN 49 2HE2 GLN 49 -3.872 17.360 -1.966 370 H LEU 50 H LEU 50 0.953 11.367 -1.406 371 HA LEU 50 HA LEU 50 0.893 9.665 0.912 372 1HB LEU 50 1HB LEU 50 2.068 9.258 -1.335 373 2HB LEU 50 2HB LEU 50 3.293 10.370 -0.759 374 HG LEU 50 HG LEU 50 4.054 8.153 -0.337 375 1HD1 LEU 50 1HD1 LEU 50 4.043 10.057 1.551 376 2HD1 LEU 50 2HD1 LEU 50 3.166 8.779 2.427 377 3HD1 LEU 50 3HD1 LEU 50 4.792 8.458 1.781 378 1HD2 LEU 50 1HD2 LEU 50 1.665 7.512 1.378 379 2HD2 LEU 50 2HD2 LEU 50 1.648 7.216 -0.378 380 3HD2 LEU 50 3HD2 LEU 50 2.862 6.416 0.648 381 H TYR 51 H TYR 51 1.340 10.288 2.954 382 HA TYR 51 HA TYR 51 3.126 12.581 3.306 383 1HB TYR 51 1HB TYR 51 0.231 12.125 4.093 384 2HB TYR 51 2HB TYR 51 1.240 12.895 5.301 385 HD1 TYR 51 1HD TYR 51 0.276 13.206 1.693 386 HD2 TYR 51 2HD TYR 51 1.527 15.215 5.257 387 HE1 TYR 51 1HE TYR 51 -0.063 15.454 0.555 388 HE2 TYR 51 2HE TYR 51 1.183 17.456 4.107 389 HH TYR 51 HH TYR 51 -0.255 18.305 2.218 390 H ALA 52 H ALA 52 4.204 12.632 5.381 391 HA ALA 52 HA ALA 52 3.962 10.106 6.862 392 1HB ALA 52 1HB ALA 52 6.446 11.591 5.936 393 2HB ALA 52 2HB ALA 52 6.476 10.345 7.206 394 3HB ALA 52 3HB ALA 52 5.964 9.920 5.556 395 H ALA 53 H ALA 53 3.870 10.302 9.086 396 HA ALA 53 HA ALA 53 3.310 12.875 10.118 397 1HB ALA 53 1HB ALA 53 3.560 10.070 11.195 398 2HB ALA 53 2HB ALA 53 3.463 11.440 12.327 399 3HB ALA 53 3HB ALA 53 2.145 11.150 11.166 400 H ASP 54 H ASP 54 5.140 14.215 9.736 401 HA ASP 54 HA ASP 54 7.698 13.734 10.017 402 1HB ASP 54 1HB ASP 54 6.576 15.973 9.588 403 2HB ASP 54 2HB ASP 54 6.327 16.135 11.316 404 H ARG 55 H ARG 55 9.296 13.709 11.772 405 HA ARG 55 HA ARG 55 8.528 12.352 14.004 406 1HB ARG 55 1HB ARG 55 10.803 12.922 14.888 407 2HB ARG 55 2HB ARG 55 10.862 12.426 13.209 408 1HG ARG 55 1HG ARG 55 10.571 15.058 12.767 409 2HG ARG 55 2HG ARG 55 11.223 15.182 14.388 410 1HD ARG 55 1HD ARG 55 13.166 15.231 13.034 411 2HD ARG 55 2HD ARG 55 13.101 13.560 13.557 412 HE ARG 55 HE ARG 55 12.432 14.577 10.842 413 1HH1 ARG 55 2HH2 ARG 55 12.710 11.844 13.040 414 2HH1 ARG 55 1HH2 ARG 55 12.683 10.660 11.775 415 1HH2 ARG 55 2HH1 ARG 55 12.398 13.017 9.173 416 2HH2 ARG 55 1HH1 ARG 55 12.504 11.332 9.561 417 H ASN 56 H ASN 56 8.199 15.726 13.252 418 HA ASN 56 HA ASN 56 8.079 16.456 16.045 419 1HB ASN 56 1HB ASN 56 8.293 17.919 13.424 420 2HB ASN 56 2HB ASN 56 7.424 18.754 14.698 421 1HD2 ASN 56 1HD2 ASN 56 8.458 19.397 16.560 422 2HD2 ASN 56 2HD2 ASN 56 10.181 19.449 16.730 423 H CYS 57 H CYS 57 6.083 14.610 14.820 424 HA CYS 57 HA CYS 57 3.918 14.311 14.550 425 1HB CYS 57 1HB CYS 57 3.605 14.593 16.828 426 2HB CYS 57 2HB CYS 57 4.053 16.288 16.803 427 HG CYS 57 HG CYS 57 1.863 17.162 16.695 428 H MET 58 H MET 58 3.780 14.985 12.324 429 HA MET 58 HA MET 58 1.925 16.844 11.731 430 1HB MET 58 1HB MET 58 4.439 18.109 12.399 431 2HB MET 58 2HB MET 58 4.219 18.296 10.670 432 1HG MET 58 1HG MET 58 1.766 19.043 11.293 433 2HG MET 58 2HG MET 58 2.407 19.261 12.910 434 1HE MET 58 1HE MET 58 3.590 21.257 9.039 435 2HE MET 58 2HE MET 58 2.481 19.901 9.353 436 3HE MET 58 3HE MET 58 1.942 21.575 9.631 437 H TRP 59 H TRP 59 1.233 15.670 9.984 438 HA TRP 59 HA TRP 59 2.614 13.992 8.421 439 1HB TRP 59 1HB TRP 59 0.547 15.820 7.221 440 2HB TRP 59 2HB TRP 59 0.888 14.144 6.837 441 HD1 TRP 59 HD TRP 59 -1.311 16.238 9.059 442 HE1 TRP 59 1HE TRP 59 -2.834 14.779 10.644 443 HE3 TRP 59 3HE TRP 59 1.087 11.840 8.185 444 HZ2 TRP 59 2HZ TRP 59 -2.864 12.011 11.340 445 HZ3 TRP 59 3HZ TRP 59 0.247 9.807 9.359 446 HH2 TRP 59 HH TRP 59 -1.658 9.843 10.889 447 H SER 60 H SER 60 3.818 14.118 6.436 448 HA SER 60 HA SER 60 4.637 16.818 5.727 449 1HB SER 60 1HB SER 60 6.335 14.523 6.616 450 2HB SER 60 2HB SER 60 6.938 15.425 5.240 451 HG SER 60 HG SER 60 7.691 16.285 7.293 452 H LYS 61 H LYS 61 4.227 17.166 3.576 453 HA LYS 61 HA LYS 61 3.364 15.079 1.910 454 1HB LYS 61 1HB LYS 61 3.149 16.759 0.231 455 2HB LYS 61 2HB LYS 61 2.679 17.476 1.759 456 1HG LYS 61 1HG LYS 61 4.166 19.134 1.305 457 2HG LYS 61 2HG LYS 61 5.430 17.976 1.670 458 1HD LYS 61 1HD LYS 61 5.860 17.507 -0.593 459 2HD LYS 61 2HD LYS 61 4.240 17.941 -1.103 460 1HE LYS 61 1HE LYS 61 5.330 19.841 -1.846 461 2HE LYS 61 2HE LYS 61 5.010 20.373 -0.208 462 1HZ LYS 61 1HZ LYS 61 7.370 18.857 -0.294 463 2HZ LYS 61 2HZ LYS 61 7.455 20.069 -1.387 464 3HZ LYS 61 3HZ LYS 61 7.162 20.405 0.185 465 H LYS 62 H LYS 62 4.439 13.703 0.569 466 HA LYS 62 HA LYS 62 7.333 14.145 0.358 467 1HB LYS 62 1HB LYS 62 6.071 12.009 1.470 468 2HB LYS 62 2HB LYS 62 6.216 11.453 -0.185 469 1HG LYS 62 1HG LYS 62 8.614 12.711 1.176 470 2HG LYS 62 2HG LYS 62 8.198 11.047 1.535 471 1HD LYS 62 1HD LYS 62 8.906 10.297 -0.508 472 2HD LYS 62 2HD LYS 62 8.151 11.627 -1.365 473 1HE LYS 62 1HE LYS 62 10.029 13.032 -1.138 474 2HE LYS 62 2HE LYS 62 10.604 12.212 0.300 475 1HZ LYS 62 1HZ LYS 62 10.587 11.002 -2.377 476 2HZ LYS 62 2HZ LYS 62 11.891 11.709 -1.695 477 3HZ LYS 62 3HZ LYS 62 11.250 10.364 -1.028 478 H CYS 63 H CYS 63 4.317 13.220 -1.378 479 HA CYS 63 HA CYS 63 4.712 14.583 -3.618 480 1HB CYS 63 1HB CYS 63 6.652 12.384 -3.575 481 2HB CYS 63 2HB CYS 63 5.631 12.351 -4.999 482 HG CYS 63 HG CYS 63 8.056 13.694 -5.158 483 H SER 64 H SER 64 2.524 14.507 -4.033 484 HA SER 64 HA SER 64 1.210 11.948 -3.756 485 1HB SER 64 1HB SER 64 0.004 14.703 -4.274 486 2HB SER 64 2HB SER 64 -0.884 13.252 -3.852 487 HG SER 64 HG SER 64 1.214 14.135 -2.113 488 H GLY 65 H GLY 65 -0.750 11.749 -5.505 489 1HA GLY 65 1HA GLY 65 -0.634 12.773 -8.034 490 2HA GLY 65 2HA GLY 65 0.557 11.487 -8.047 491 H VAL 66 H VAL 66 -0.727 10.226 -9.537 492 HA VAL 66 HA VAL 66 -3.343 9.387 -8.610 493 HB VAL 66 HB VAL 66 -1.817 8.627 -11.106 494 1HG1 VAL 66 1HG1 VAL 66 -3.740 7.163 -10.408 495 2HG1 VAL 66 2HG1 VAL 66 -4.804 8.579 -10.582 496 3HG1 VAL 66 3HG1 VAL 66 -3.936 7.940 -11.997 497 1HG2 VAL 66 1HG2 VAL 66 -2.459 11.177 -10.540 498 2HG2 VAL 66 2HG2 VAL 66 -2.524 10.504 -12.186 499 3HG2 VAL 66 3HG2 VAL 66 -4.012 10.637 -11.218 500 H ALA 67 H ALA 67 -3.683 7.571 -7.437 501 HA ALA 67 HA ALA 67 -1.494 5.606 -7.410 502 1HB ALA 67 1HB ALA 67 -2.165 7.075 -5.302 503 2HB ALA 67 2HB ALA 67 -3.476 5.878 -5.164 504 3HB ALA 67 3HB ALA 67 -1.777 5.347 -5.122 505 H CYS 68 H CYS 68 -2.065 3.378 -7.488 506 HA CYS 68 HA CYS 68 -4.888 2.806 -7.860 507 1HB CYS 68 1HB CYS 68 -4.495 1.550 -9.930 508 2HB CYS 68 2HB CYS 68 -4.116 3.249 -10.132 509 HG CYS 68 HG CYS 68 -2.438 0.823 -10.843 510 H LEU 69 H LEU 69 -5.361 0.529 -7.426 511 HA LEU 69 HA LEU 69 -3.261 -0.703 -5.826 512 1HB LEU 69 1HB LEU 69 -5.855 -0.242 -5.273 513 2HB LEU 69 2HB LEU 69 -5.989 -1.849 -5.958 514 HG LEU 69 HG LEU 69 -3.821 -1.664 -4.005 515 1HD1 LEU 69 1HD1 LEU 69 -4.883 -0.223 -2.619 516 2HD1 LEU 69 2HD1 LEU 69 -6.492 -0.578 -3.292 517 3HD1 LEU 69 3HD1 LEU 69 -5.743 -1.706 -2.137 518 1HD2 LEU 69 1HD2 LEU 69 -4.467 -3.778 -3.469 519 2HD2 LEU 69 2HD2 LEU 69 -6.202 -3.419 -3.641 520 3HD2 LEU 69 3HD2 LEU 69 -5.198 -3.670 -5.088 521 H VAL 70 H VAL 70 -1.894 -2.006 -6.927 522 HA VAL 70 HA VAL 70 -3.066 -3.617 -9.083 523 HB VAL 70 HB VAL 70 -0.282 -2.561 -8.589 524 1HG1 VAL 70 1HG1 VAL 70 -0.236 -4.947 -9.363 525 2HG1 VAL 70 2HG1 VAL 70 -1.119 -4.438 -10.824 526 3HG1 VAL 70 3HG1 VAL 70 0.510 -3.796 -10.496 527 1HG2 VAL 70 1HG2 VAL 70 -2.281 -2.163 -10.841 528 2HG2 VAL 70 2HG2 VAL 70 -1.788 -0.963 -9.622 529 3HG2 VAL 70 3HG2 VAL 70 -0.615 -1.537 -10.831 530 H LYS 71 H LYS 71 -2.867 -5.857 -9.043 531 HA LYS 71 HA LYS 71 -1.315 -6.992 -6.848 532 1HB LYS 71 1HB LYS 71 -3.412 -6.895 -5.797 533 2HB LYS 71 2HB LYS 71 -4.284 -7.293 -7.264 534 1HG LYS 71 1HG LYS 71 -2.296 -9.341 -6.373 535 2HG LYS 71 2HG LYS 71 -3.664 -9.113 -5.300 536 1HD LYS 71 1HD LYS 71 -4.288 -9.310 -8.231 537 2HD LYS 71 2HD LYS 71 -3.727 -10.778 -7.456 538 1HE LYS 71 1HE LYS 71 -5.976 -11.007 -6.973 539 2HE LYS 71 2HE LYS 71 -5.532 -10.035 -5.583 540 1HZ LYS 71 1HZ LYS 71 -7.443 -9.346 -7.202 541 2HZ LYS 71 2HZ LYS 71 -6.523 -8.226 -6.451 542 3HZ LYS 71 3HZ LYS 71 -6.223 -8.619 -8.007 543 H ASP 72 H ASP 72 0.045 -8.472 -7.686 544 HA ASP 72 HA ASP 72 -0.511 -9.421 -10.332 545 1HB ASP 72 1HB ASP 72 1.773 -10.521 -10.044 546 2HB ASP 72 2HB ASP 72 1.767 -8.773 -9.927 547 H ASN 73 H ASN 73 -2.084 -11.085 -10.257 548 HA ASN 73 HA ASN 73 -2.949 -13.039 -9.893 549 1HB ASN 73 1HB ASN 73 -0.380 -13.929 -8.499 550 2HB ASN 73 2HB ASN 73 -1.537 -14.946 -9.335 551 1HD2 ASN 73 1HD2 ASN 73 1.057 -12.652 -9.632 552 2HD2 ASN 73 2HD2 ASN 73 1.394 -12.863 -11.319 553 HA PRO 74 HA PRO 74 -4.249 -12.779 -5.706 554 1HB PRO 74 1HB PRO 74 -5.985 -14.887 -5.594 555 2HB PRO 74 2HB PRO 74 -6.415 -13.326 -6.263 556 1HG PRO 74 1HG PRO 74 -5.815 -15.849 -7.683 557 2HG PRO 74 2HG PRO 74 -6.644 -14.425 -8.279 558 1HD PRO 74 1HD PRO 74 -3.941 -15.200 -8.847 559 2HD PRO 74 2HD PRO 74 -4.734 -13.719 -9.346 560 H GLN 75 H GLN 75 -2.217 -15.075 -6.851 561 HA GLN 75 HA GLN 75 -2.152 -16.473 -4.318 562 1HB GLN 75 1HB GLN 75 -0.811 -16.976 -7.004 563 2HB GLN 75 2HB GLN 75 -0.408 -17.899 -5.571 564 1HG GLN 75 1HG GLN 75 -2.102 -19.267 -6.314 565 2HG GLN 75 2HG GLN 75 -3.117 -18.125 -5.456 566 1HE2 GLN 75 1HE2 GLN 75 -4.774 -18.808 -6.918 567 2HE2 GLN 75 2HE2 GLN 75 -4.916 -18.110 -8.497 568 H ARG 76 H ARG 76 0.178 -14.866 -6.613 569 HA ARG 76 HA ARG 76 2.343 -14.876 -5.035 570 1HB ARG 76 1HB ARG 76 1.363 -13.294 -7.304 571 2HB ARG 76 2HB ARG 76 2.360 -12.305 -6.256 572 1HG ARG 76 1HG ARG 76 3.654 -14.870 -6.529 573 2HG ARG 76 2HG ARG 76 3.198 -14.333 -8.133 574 1HD ARG 76 1HD ARG 76 4.322 -12.125 -6.540 575 2HD ARG 76 2HD ARG 76 5.440 -13.469 -6.650 576 HE ARG 76 HE ARG 76 4.278 -12.914 -9.241 577 1HH1 ARG 76 2HH2 ARG 76 6.676 -11.721 -6.958 578 2HH1 ARG 76 1HH2 ARG 76 7.642 -10.958 -8.175 579 1HH2 ARG 76 2HH1 ARG 76 5.554 -11.908 -10.848 580 2HH2 ARG 76 1HH1 ARG 76 6.999 -11.064 -10.403 581 H SER 77 H SER 77 0.491 -11.781 -5.453 582 HA SER 77 HA SER 77 -0.340 -11.388 -2.931 583 1HB SER 77 1HB SER 77 1.800 -11.531 -1.928 584 2HB SER 77 2HB SER 77 2.586 -10.679 -3.242 585 HG SER 77 HG SER 77 2.254 -8.837 -2.215 586 H TYR 78 H TYR 78 -0.150 -8.723 -2.420 587 HA TYR 78 HA TYR 78 -0.982 -7.538 -4.970 588 1HB TYR 78 1HB TYR 78 -1.376 -6.824 -1.996 589 2HB TYR 78 2HB TYR 78 -2.079 -5.907 -3.313 590 HD1 TYR 78 1HD TYR 78 -1.993 -9.401 -1.950 591 HD2 TYR 78 2HD TYR 78 -4.246 -6.405 -4.013 592 HE1 TYR 78 1HE TYR 78 -4.041 -10.907 -1.915 593 HE2 TYR 78 2HE TYR 78 -6.287 -7.921 -3.970 594 HH TYR 78 HH TYR 78 -6.987 -9.983 -3.616 595 H PHE 79 H PHE 79 -0.609 -5.043 -5.036 596 HA PHE 79 HA PHE 79 1.816 -4.233 -3.691 597 1HB PHE 79 1HB PHE 79 1.441 -4.699 -6.697 598 2HB PHE 79 2HB PHE 79 2.624 -3.536 -6.129 599 HD1 PHE 79 1HD PHE 79 1.664 -7.115 -5.871 600 HD2 PHE 79 2HD PHE 79 4.759 -4.239 -5.478 601 HE1 PHE 79 1HE PHE 79 3.342 -8.960 -5.588 602 HE2 PHE 79 2HE PHE 79 6.438 -6.084 -5.195 603 HZ PHE 79 HZ PHE 79 5.708 -8.422 -5.253 604 H LEU 80 H LEU 80 1.932 -1.997 -3.424 605 HA LEU 80 HA LEU 80 -0.217 -0.488 -4.743 606 1HB LEU 80 1HB LEU 80 0.124 -0.991 -2.019 607 2HB LEU 80 2HB LEU 80 0.716 0.644 -2.240 608 HG LEU 80 HG LEU 80 -1.747 0.413 -3.671 609 1HD1 LEU 80 1HD1 LEU 80 -3.198 0.003 -1.579 610 2HD1 LEU 80 2HD1 LEU 80 -2.523 -1.404 -2.435 611 3HD1 LEU 80 3HD1 LEU 80 -1.767 -0.832 -0.929 612 1HD2 LEU 80 1HD2 LEU 80 -0.700 1.970 -1.329 613 2HD2 LEU 80 2HD2 LEU 80 -1.180 2.529 -2.950 614 3HD2 LEU 80 3HD2 LEU 80 -2.424 2.063 -1.765 615 H ARG 81 H ARG 81 0.437 1.171 -6.012 616 HA ARG 81 HA ARG 81 3.057 2.271 -5.438 617 1HB ARG 81 1HB ARG 81 2.062 1.530 -8.236 618 2HB ARG 81 2HB ARG 81 3.592 2.306 -7.877 619 1HG ARG 81 1HG ARG 81 3.222 -0.148 -6.292 620 2HG ARG 81 2HG ARG 81 3.110 -0.469 -8.010 621 1HD ARG 81 1HD ARG 81 5.318 1.352 -7.584 622 2HD ARG 81 2HD ARG 81 5.479 0.028 -6.447 623 HE ARG 81 HE ARG 81 5.631 -0.150 -9.384 624 1HH1 ARG 81 2HH2 ARG 81 5.258 -1.914 -6.362 625 2HH1 ARG 81 1HH2 ARG 81 5.769 -3.426 -7.034 626 1HH2 ARG 81 2HH1 ARG 81 6.305 -2.145 -10.271 627 2HH2 ARG 81 1HH1 ARG 81 6.369 -3.560 -9.272 628 H ILE 82 H ILE 82 3.356 4.489 -6.422 629 HA ILE 82 HA ILE 82 0.794 5.740 -7.108 630 HB ILE 82 HB ILE 82 2.755 6.518 -4.978 631 1HG1 ILE 82 1HG1 ILE 82 -0.266 6.620 -4.948 632 2HG1 ILE 82 2HG1 ILE 82 0.620 5.154 -4.576 633 1HG2 ILE 82 1HG2 ILE 82 2.712 8.644 -5.633 634 2HG2 ILE 82 2HG2 ILE 82 1.470 8.324 -6.866 635 3HG2 ILE 82 3HG2 ILE 82 0.990 8.653 -5.184 636 1HD1 ILE 82 1HD1 ILE 82 0.637 5.966 -2.440 637 2HD1 ILE 82 2HD1 ILE 82 1.972 6.992 -3.019 638 3HD1 ILE 82 3HD1 ILE 82 0.312 7.633 -2.974 639 H PHE 83 H PHE 83 0.884 7.229 -8.776 640 HA PHE 83 HA PHE 83 3.571 7.695 -9.864 641 1HB PHE 83 1HB PHE 83 1.741 7.932 -11.970 642 2HB PHE 83 2HB PHE 83 2.671 6.485 -11.636 643 HD1 PHE 83 1HD PHE 83 1.529 5.027 -9.619 644 HD2 PHE 83 2HD PHE 83 -0.504 7.601 -12.311 645 HE1 PHE 83 1HE PHE 83 -0.597 3.751 -9.233 646 HE2 PHE 83 2HE PHE 83 -2.630 6.325 -11.925 647 HZ PHE 83 HZ PHE 83 -2.651 4.414 -10.390 648 H ASP 84 H ASP 84 3.988 9.769 -10.780 649 HA ASP 84 HA ASP 84 2.508 11.823 -9.556 650 1HB ASP 84 1HB ASP 84 5.032 11.729 -10.250 651 2HB ASP 84 2HB ASP 84 4.474 12.174 -11.850 652 H ILE 85 H ILE 85 1.594 13.733 -10.902 653 HA ILE 85 HA ILE 85 0.230 12.645 -13.260 654 HB ILE 85 HB ILE 85 -1.279 13.214 -11.501 655 1HG1 ILE 85 1HG1 ILE 85 -1.596 15.571 -13.320 656 2HG1 ILE 85 2HG1 ILE 85 -1.605 13.968 -14.028 657 1HG2 ILE 85 1HG2 ILE 85 -1.228 15.934 -11.101 658 2HG2 ILE 85 2HG2 ILE 85 -0.578 14.703 -9.992 659 3HG2 ILE 85 3HG2 ILE 85 0.501 15.515 -11.152 660 1HD1 ILE 85 1HD1 ILE 85 -3.852 15.097 -13.099 661 2HD1 ILE 85 2HD1 ILE 85 -3.578 13.344 -12.968 662 3HD1 ILE 85 3HD1 ILE 85 -3.280 14.397 -11.565 663 H LYS 86 H LYS 86 2.773 14.677 -12.244 664 HA LYS 86 HA LYS 86 2.530 16.264 -14.703 665 1HB LYS 86 1HB LYS 86 3.294 16.939 -11.949 666 2HB LYS 86 2HB LYS 86 4.449 17.501 -13.142 667 1HG LYS 86 1HG LYS 86 2.091 18.176 -14.388 668 2HG LYS 86 2HG LYS 86 1.610 18.328 -12.709 669 1HD LYS 86 1HD LYS 86 2.515 20.426 -12.873 670 2HD LYS 86 2HD LYS 86 4.042 19.601 -12.624 671 1HE LYS 86 1HE LYS 86 3.776 19.269 -15.332 672 2HE LYS 86 2HE LYS 86 2.906 20.776 -15.134 673 1HZ LYS 86 1HZ LYS 86 5.581 20.511 -15.262 674 2HZ LYS 86 2HZ LYS 86 4.787 21.837 -14.731 675 3HZ LYS 86 3HZ LYS 86 5.330 20.726 -13.662 676 H ASP 87 H ASP 87 4.695 14.291 -12.608 677 HA ASP 87 HA ASP 87 6.693 14.377 -14.684 678 1HB ASP 87 1HB ASP 87 6.576 13.685 -11.801 679 2HB ASP 87 2HB ASP 87 7.577 12.588 -12.731 680 H GLY 88 H GLY 88 3.946 12.550 -13.702 681 1HA GLY 88 1HA GLY 88 3.202 10.452 -14.094 682 2HA GLY 88 2HA GLY 88 3.912 10.707 -15.675 683 H LYS 89 H LYS 89 5.380 10.243 -12.379 684 HA LYS 89 HA LYS 89 6.585 7.775 -13.369 685 1HB LYS 89 1HB LYS 89 8.046 10.233 -12.446 686 2HB LYS 89 2HB LYS 89 8.726 8.652 -12.119 687 1HG LYS 89 1HG LYS 89 8.963 8.123 -14.415 688 2HG LYS 89 2HG LYS 89 7.743 9.278 -14.914 689 1HD LYS 89 1HD LYS 89 9.255 10.979 -15.067 690 2HD LYS 89 2HD LYS 89 9.975 10.595 -13.516 691 1HE LYS 89 1HE LYS 89 11.770 10.077 -14.900 692 2HE LYS 89 2HE LYS 89 10.988 8.509 -14.857 693 1HZ LYS 89 1HZ LYS 89 11.555 9.788 -17.085 694 2HZ LYS 89 2HZ LYS 89 10.331 8.712 -16.969 695 3HZ LYS 89 3HZ LYS 89 10.023 10.313 -16.875 696 H LEU 90 H LEU 90 7.733 6.637 -11.398 697 HA LEU 90 HA LEU 90 5.715 6.339 -9.432 698 1HB LEU 90 1HB LEU 90 8.041 4.947 -10.361 699 2HB LEU 90 2HB LEU 90 8.124 5.093 -8.616 700 HG LEU 90 HG LEU 90 7.071 3.023 -9.100 701 1HD1 LEU 90 1HD1 LEU 90 5.767 3.420 -7.348 702 2HD1 LEU 90 2HD1 LEU 90 5.624 5.143 -7.771 703 3HD1 LEU 90 3HD1 LEU 90 4.500 3.956 -8.477 704 1HD2 LEU 90 1HD2 LEU 90 6.317 4.039 -11.464 705 2HD2 LEU 90 2HD2 LEU 90 5.590 2.577 -10.754 706 3HD2 LEU 90 3HD2 LEU 90 4.765 4.146 -10.599 707 H LEU 91 H LEU 91 5.429 7.409 -7.547 708 HA LEU 91 HA LEU 91 7.683 9.065 -6.648 709 1HB LEU 91 1HB LEU 91 4.704 9.504 -6.414 710 2HB LEU 91 2HB LEU 91 5.908 10.470 -5.584 711 HG LEU 91 HG LEU 91 5.737 10.190 -8.597 712 1HD1 LEU 91 1HD1 LEU 91 3.772 11.316 -8.099 713 2HD1 LEU 91 2HD1 LEU 91 4.486 12.168 -6.707 714 3HD1 LEU 91 3HD1 LEU 91 4.929 12.643 -8.364 715 1HD2 LEU 91 1HD2 LEU 91 7.052 12.569 -7.649 716 2HD2 LEU 91 2HD2 LEU 91 7.813 11.126 -6.938 717 3HD2 LEU 91 3HD2 LEU 91 7.666 11.275 -8.707 718 H TRP 92 H TRP 92 5.557 6.397 -5.970 719 HA TRP 92 HA TRP 92 6.934 5.911 -3.514 720 1HB TRP 92 1HB TRP 92 5.372 7.472 -2.609 721 2HB TRP 92 2HB TRP 92 4.028 6.721 -3.445 722 HD1 TRP 92 HD TRP 92 6.402 6.042 -0.459 723 HE1 TRP 92 1HE TRP 92 5.343 4.294 1.211 724 HE3 TRP 92 3HE TRP 92 2.384 4.912 -3.364 725 HZ2 TRP 92 2HZ TRP 92 2.997 2.672 1.131 726 HZ3 TRP 92 3HZ TRP 92 0.758 3.235 -2.493 727 HH2 TRP 92 HH TRP 92 1.014 2.128 -0.329 728 H GLU 93 H GLU 93 6.715 3.679 -2.935 729 HA GLU 93 HA GLU 93 4.814 2.134 -4.439 730 1HB GLU 93 1HB GLU 93 6.812 0.511 -5.019 731 2HB GLU 93 2HB GLU 93 6.475 1.883 -6.054 732 1HG GLU 93 1HG GLU 93 8.411 2.978 -5.467 733 2HG GLU 93 2HG GLU 93 8.289 2.509 -3.782 734 H GLN 94 H GLN 94 4.071 0.391 -3.240 735 HA GLN 94 HA GLN 94 5.683 -0.299 -0.911 736 1HB GLN 94 1HB GLN 94 3.268 1.078 -0.791 737 2HB GLN 94 2HB GLN 94 2.759 -0.581 -0.547 738 1HG GLN 94 1HG GLN 94 5.067 0.672 1.005 739 2HG GLN 94 2HG GLN 94 3.409 0.732 1.570 740 1HE2 GLN 94 1HE2 GLN 94 2.239 -1.389 1.616 741 2HE2 GLN 94 2HE2 GLN 94 3.095 -2.779 2.196 742 H GLU 95 H GLU 95 5.879 -2.508 -0.485 743 HA GLU 95 HA GLU 95 4.669 -4.197 -2.505 744 1HB GLU 95 1HB GLU 95 7.032 -4.551 -0.626 745 2HB GLU 95 2HB GLU 95 6.359 -5.904 -1.514 746 1HG GLU 95 1HG GLU 95 7.109 -5.123 -3.567 747 2HG GLU 95 2HG GLU 95 6.919 -3.438 -3.121 748 H LEU 96 H LEU 96 2.514 -4.211 -1.546 749 HA LEU 96 HA LEU 96 1.789 -4.670 0.987 750 1HB LEU 96 1HB LEU 96 0.606 -5.914 -1.500 751 2HB LEU 96 2HB LEU 96 -0.185 -5.861 0.065 752 HG LEU 96 HG LEU 96 0.596 -3.462 -1.616 753 1HD1 LEU 96 1HD1 LEU 96 -1.249 -4.191 -2.727 754 2HD1 LEU 96 2HD1 LEU 96 -1.915 -5.036 -1.309 755 3HD1 LEU 96 3HD1 LEU 96 -2.055 -3.266 -1.437 756 1HD2 LEU 96 1HD2 LEU 96 -1.088 -2.457 0.229 757 2HD2 LEU 96 2HD2 LEU 96 -0.294 -3.720 1.199 758 3HD2 LEU 96 3HD2 LEU 96 0.683 -2.461 0.405 759 H TYR 97 H TYR 97 1.948 -6.238 2.526 760 HA TYR 97 HA TYR 97 3.004 -8.832 1.618 761 1HB TYR 97 1HB TYR 97 3.929 -8.617 4.154 762 2HB TYR 97 2HB TYR 97 4.804 -7.860 2.837 763 HD1 TYR 97 1HD TYR 97 2.282 -7.184 5.499 764 HD2 TYR 97 2HD TYR 97 5.147 -5.519 2.793 765 HE1 TYR 97 1HE TYR 97 2.057 -4.924 6.641 766 HE2 TYR 97 2HE TYR 97 4.911 -3.264 3.943 767 HH TYR 97 HH TYR 97 3.985 -2.147 5.536 768 H ASN 98 H ASN 98 2.521 -10.656 3.151 769 HA ASN 98 HA ASN 98 -0.153 -10.866 3.571 770 1HB ASN 98 1HB ASN 98 1.936 -12.594 3.711 771 2HB ASN 98 2HB ASN 98 1.706 -12.353 5.432 772 1HD2 ASN 98 1HD2 ASN 98 -0.064 -13.053 2.434 773 2HD2 ASN 98 2HD2 ASN 98 -1.239 -14.130 3.112 774 H ASN 99 H ASN 99 -1.441 -10.889 5.608 775 HA ASN 99 HA ASN 99 -2.045 -10.231 7.591 776 1HB ASN 99 1HB ASN 99 0.707 -10.779 8.003 777 2HB ASN 99 2HB ASN 99 0.488 -9.179 8.683 778 1HD2 ASN 99 1HD2 ASN 99 0.955 -11.868 9.875 779 2HD2 ASN 99 2HD2 ASN 99 -0.282 -12.095 11.064 780 H PHE 100 H PHE 100 -2.272 -8.444 5.459 781 HA PHE 100 HA PHE 100 -1.275 -5.888 6.472 782 1HB PHE 100 1HB PHE 100 -0.791 -6.534 4.098 783 2HB PHE 100 2HB PHE 100 -2.489 -6.865 3.819 784 HD1 PHE 100 1HD PHE 100 0.078 -4.351 3.845 785 HD2 PHE 100 2HD PHE 100 -4.124 -4.944 3.855 786 HE1 PHE 100 1HE PHE 100 -0.258 -1.986 3.075 787 HE2 PHE 100 2HE PHE 100 -4.459 -2.579 3.084 788 HZ PHE 100 HZ PHE 100 -2.522 -1.127 2.704 789 H VAL 101 H VAL 101 -2.651 -4.339 7.271 790 HA VAL 101 HA VAL 101 -5.521 -4.843 6.905 791 HB VAL 101 HB VAL 101 -4.915 -5.536 9.120 792 1HG1 VAL 101 1HG1 VAL 101 -2.801 -4.388 9.403 793 2HG1 VAL 101 2HG1 VAL 101 -3.618 -2.806 9.410 794 3HG1 VAL 101 3HG1 VAL 101 -3.887 -3.952 10.744 795 1HG2 VAL 101 1HG2 VAL 101 -6.281 -3.944 10.478 796 2HG2 VAL 101 2HG2 VAL 101 -6.280 -2.825 9.094 797 3HG2 VAL 101 3HG2 VAL 101 -7.051 -4.423 8.946 798 H TYR 102 H TYR 102 -6.865 -2.860 7.052 799 HA TYR 102 HA TYR 102 -5.293 -0.489 6.292 800 1HB TYR 102 1HB TYR 102 -7.126 -2.046 4.820 801 2HB TYR 102 2HB TYR 102 -8.167 -0.799 5.476 802 HD1 TYR 102 1HD TYR 102 -4.609 -0.411 4.419 803 HD2 TYR 102 2HD TYR 102 -8.709 0.445 3.544 804 HE1 TYR 102 1HE TYR 102 -3.891 1.172 2.564 805 HE2 TYR 102 2HE TYR 102 -7.976 2.026 1.692 806 HH TYR 102 HH TYR 102 -6.220 3.200 0.922 807 H ASN 103 H ASN 103 -5.430 1.117 7.770 808 HA ASN 103 HA ASN 103 -7.669 1.034 9.590 809 1HB ASN 103 1HB ASN 103 -4.905 1.742 9.808 810 2HB ASN 103 2HB ASN 103 -5.791 3.238 10.035 811 1HD2 ASN 103 1HD2 ASN 103 -4.333 1.046 11.724 812 2HD2 ASN 103 2HD2 ASN 103 -5.351 0.849 13.112 813 H SER 104 H SER 104 -9.310 2.623 9.538 814 HA SER 104 HA SER 104 -8.786 5.050 8.083 815 1HB SER 104 1HB SER 104 -10.543 4.831 6.506 816 2HB SER 104 2HB SER 104 -9.736 3.276 6.466 817 HG SER 104 HG SER 104 -12.302 3.641 6.832 818 HA PRO 105 HA PRO 105 -11.428 5.358 11.813 819 1HB PRO 105 1HB PRO 105 -9.776 6.885 13.365 820 2HB PRO 105 2HB PRO 105 -9.857 5.137 13.481 821 1HG PRO 105 1HG PRO 105 -7.759 6.817 12.249 822 2HG PRO 105 2HG PRO 105 -7.670 5.140 12.750 823 1HD PRO 105 1HD PRO 105 -7.937 6.116 10.066 824 2HD PRO 105 2HD PRO 105 -7.964 4.441 10.580 825 H ARG 106 H ARG 106 -10.295 7.226 9.402 826 HA ARG 106 HA ARG 106 -11.761 9.513 10.442 827 1HB ARG 106 1HB ARG 106 -9.354 9.221 8.678 828 2HB ARG 106 2HB ARG 106 -10.464 10.500 8.228 829 1HG ARG 106 1HG ARG 106 -8.939 11.540 9.738 830 2HG ARG 106 2HG ARG 106 -10.381 11.264 10.694 831 1HD ARG 106 1HD ARG 106 -9.227 8.967 11.327 832 2HD ARG 106 2HD ARG 106 -7.758 9.737 10.760 833 HE ARG 106 HE ARG 106 -7.750 11.066 12.682 834 1HH1 ARG 106 2HH2 ARG 106 -10.986 9.769 12.209 835 2HH1 ARG 106 1HH2 ARG 106 -11.590 10.378 13.714 836 1HH2 ARG 106 2HH1 ARG 106 -8.545 11.871 14.668 837 2HH2 ARG 106 1HH1 ARG 106 -10.191 11.582 15.122 838 H GLY 107 H GLY 107 -11.336 7.202 7.745 839 1HA GLY 107 1HA GLY 107 -13.284 6.492 6.556 840 2HA GLY 107 2HA GLY 107 -13.909 8.127 6.632 841 H TYR 108 H TYR 108 -11.946 9.795 5.795 842 HA TYR 108 HA TYR 108 -11.400 8.805 3.087 843 1HB TYR 108 1HB TYR 108 -12.084 10.959 2.508 844 2HB TYR 108 2HB TYR 108 -12.677 11.083 4.152 845 HD1 TYR 108 1HD TYR 108 -11.154 12.082 5.933 846 HD2 TYR 108 2HD TYR 108 -10.270 12.294 1.752 847 HE1 TYR 108 1HE TYR 108 -9.534 13.994 6.365 848 HE2 TYR 108 2HE TYR 108 -8.651 14.203 2.198 849 HH TYR 108 HH TYR 108 -7.282 14.827 4.822 850 H PHE 109 H PHE 109 -9.847 8.838 5.953 851 HA PHE 109 HA PHE 109 -7.293 9.394 4.649 852 1HB PHE 109 1HB PHE 109 -8.117 11.342 6.108 853 2HB PHE 109 2HB PHE 109 -8.191 10.241 7.469 854 HD1 PHE 109 1HD PHE 109 -6.222 12.631 5.855 855 HD2 PHE 109 2HD PHE 109 -5.913 8.951 7.944 856 HE1 PHE 109 1HE PHE 109 -3.823 13.139 6.395 857 HE2 PHE 109 2HE PHE 109 -3.514 9.458 8.483 858 HZ PHE 109 HZ PHE 109 -2.498 11.546 7.702 859 H HIS 110 H HIS 110 -6.445 7.346 4.572 860 HA HIS 110 HA HIS 110 -6.782 5.691 6.948 861 1HB HIS 110 1HB HIS 110 -5.693 4.839 4.261 862 2HB HIS 110 2HB HIS 110 -6.266 3.815 5.564 863 HD2 HIS 110 2HD HIS 110 -9.090 5.971 5.750 864 HE1 HIS 110 1HE HIS 110 -9.933 3.871 2.147 865 HE2 HIS 110 2HE HIS 110 -10.888 5.321 4.066 866 H THR 111 H THR 111 -4.962 4.723 8.004 867 HA THR 111 HA THR 111 -2.449 6.154 7.445 868 HB THR 111 HB THR 111 -2.120 5.343 9.974 869 HG1 THR 111 1HG THR 111 -4.111 4.791 10.880 870 1HG2 THR 111 1HG2 THR 111 -4.281 7.445 9.577 871 2HG2 THR 111 2HG2 THR 111 -2.951 7.428 10.760 872 3HG2 THR 111 3HG2 THR 111 -2.614 7.775 9.047 873 H PHE 112 H PHE 112 -0.495 5.042 7.324 874 HA PHE 112 HA PHE 112 -0.726 2.128 7.395 875 1HB PHE 112 1HB PHE 112 -0.922 2.864 5.032 876 2HB PHE 112 2HB PHE 112 0.408 3.987 5.227 877 HD1 PHE 112 1HD PHE 112 -0.217 0.326 5.675 878 HD2 PHE 112 2HD PHE 112 2.418 3.359 4.309 879 HE1 PHE 112 1HE PHE 112 1.385 -1.430 4.868 880 HE2 PHE 112 2HE PHE 112 4.020 1.603 3.501 881 HZ PHE 112 HZ PHE 112 3.484 -0.771 3.790 882 H ALA 113 H ALA 113 1.568 1.102 7.266 883 HA ALA 113 HA ALA 113 3.506 2.872 8.578 884 1HB ALA 113 1HB ALA 113 3.898 1.331 10.296 885 2HB ALA 113 2HB ALA 113 2.131 1.240 10.101 886 3HB ALA 113 3HB ALA 113 3.171 -0.017 9.390 887 H GLY 114 H GLY 114 5.303 2.984 7.338 888 1HA GLY 114 1HA GLY 114 5.744 1.033 5.255 889 2HA GLY 114 2HA GLY 114 6.676 2.479 5.590 890 H ASP 115 H ASP 115 8.601 1.079 5.224 891 HA ASP 115 HA ASP 115 9.275 -1.161 6.428 892 1HB ASP 115 1HB ASP 115 11.235 1.151 6.553 893 2HB ASP 115 2HB ASP 115 11.561 -0.528 6.170 894 H THR 116 H THR 116 10.070 2.116 7.841 895 HA THR 116 HA THR 116 9.368 1.148 10.487 896 HB THR 116 HB THR 116 11.708 0.452 10.334 897 HG1 THR 116 1HG THR 116 12.309 1.716 12.140 898 1HG2 THR 116 1HG2 THR 116 13.449 1.760 9.478 899 2HG2 THR 116 2HG2 THR 116 12.124 2.354 8.448 900 3HG2 THR 116 3HG2 THR 116 12.628 3.288 9.877 901 H CYS 117 H CYS 117 8.577 3.191 8.294 902 HA CYS 117 HA CYS 117 8.574 5.457 10.150 903 1HB CYS 117 1HB CYS 117 10.106 5.672 8.055 904 2HB CYS 117 2HB CYS 117 8.612 5.859 7.159 905 HG CYS 117 HG CYS 117 8.803 7.460 9.974 906 H GLN 118 H GLN 118 6.510 6.266 10.543 907 HA GLN 118 HA GLN 118 4.360 4.815 9.357 908 1HB GLN 118 1HB GLN 118 4.329 5.348 11.761 909 2HB GLN 118 2HB GLN 118 4.411 7.064 11.416 910 1HG GLN 118 1HG GLN 118 2.131 7.010 11.509 911 2HG GLN 118 2HG GLN 118 2.220 6.328 9.897 912 1HE2 GLN 118 1HE2 GLN 118 1.114 5.912 13.004 913 2HE2 GLN 118 2HE2 GLN 118 0.736 4.222 12.988 914 H VAL 119 H VAL 119 3.221 5.426 7.567 915 HA VAL 119 HA VAL 119 3.273 8.280 6.878 916 HB VAL 119 HB VAL 119 3.398 7.607 4.513 917 1HG1 VAL 119 1HG1 VAL 119 5.441 7.921 6.276 918 2HG1 VAL 119 2HG1 VAL 119 5.819 6.308 5.625 919 3HG1 VAL 119 3HG1 VAL 119 5.660 7.697 4.524 920 1HG2 VAL 119 1HG2 VAL 119 2.539 5.207 5.107 921 2HG2 VAL 119 2HG2 VAL 119 3.690 5.429 3.768 922 3HG2 VAL 119 3HG2 VAL 119 4.265 4.849 5.351 923 H ALA 120 H ALA 120 1.349 9.087 5.878 924 HA ALA 120 HA ALA 120 -0.928 7.247 6.170 925 1HB ALA 120 1HB ALA 120 -1.949 8.812 7.425 926 2HB ALA 120 2HB ALA 120 -0.395 9.678 7.482 927 3HB ALA 120 3HB ALA 120 -1.595 10.084 6.231 928 H LEU 121 H LEU 121 -2.835 7.915 4.709 929 HA LEU 121 HA LEU 121 -1.833 9.048 2.202 930 1HB LEU 121 1HB LEU 121 -3.087 7.305 0.976 931 2HB LEU 121 2HB LEU 121 -1.684 6.718 1.848 932 HG LEU 121 HG LEU 121 -4.318 6.544 3.238 933 1HD1 LEU 121 1HD1 LEU 121 -5.031 4.578 2.089 934 2HD1 LEU 121 2HD1 LEU 121 -4.763 5.848 0.870 935 3HD1 LEU 121 3HD1 LEU 121 -3.560 4.555 1.087 936 1HD2 LEU 121 1HD2 LEU 121 -1.731 5.630 3.712 937 2HD2 LEU 121 2HD2 LEU 121 -3.214 5.149 4.571 938 3HD2 LEU 121 3HD2 LEU 121 -2.628 4.181 3.197 939 H ASN 122 H ASN 122 -3.201 10.516 1.267 940 HA ASN 122 HA ASN 122 -5.839 10.680 2.501 941 1HB ASN 122 1HB ASN 122 -4.078 12.955 1.444 942 2HB ASN 122 2HB ASN 122 -5.702 13.165 2.068 943 1HD2 ASN 122 1HD2 ASN 122 -2.823 11.307 3.056 944 2HD2 ASN 122 2HD2 ASN 122 -2.746 11.876 4.691 945 H PHE 123 H PHE 123 -7.432 10.244 0.970 946 HA PHE 123 HA PHE 123 -6.748 10.139 -1.794 947 1HB PHE 123 1HB PHE 123 -9.454 10.037 -0.331 948 2HB PHE 123 2HB PHE 123 -9.151 9.418 -1.942 949 HD1 PHE 123 1HD PHE 123 -7.550 7.458 -2.194 950 HD2 PHE 123 2HD PHE 123 -9.096 8.689 1.561 951 HE1 PHE 123 1HE PHE 123 -6.981 5.213 -1.224 952 HE2 PHE 123 2HE PHE 123 -8.527 6.446 2.532 953 HZ PHE 123 HZ PHE 123 -7.476 4.735 1.127 954 H ALA 124 H ALA 124 -8.013 11.264 -3.521 955 HA ALA 124 HA ALA 124 -8.069 14.056 -2.991 956 1HB ALA 124 1HB ALA 124 -8.247 14.260 -5.298 957 2HB ALA 124 2HB ALA 124 -7.502 12.649 -5.164 958 3HB ALA 124 3HB ALA 124 -9.251 12.799 -5.458 959 H ASN 125 H ASN 125 -10.516 11.453 -3.465 960 HA ASN 125 HA ASN 125 -12.514 13.430 -2.686 961 1HB ASN 125 1HB ASN 125 -12.505 11.219 -4.700 962 2HB ASN 125 2HB ASN 125 -13.961 11.301 -3.727 963 1HD2 ASN 125 1HD2 ASN 125 -11.945 12.888 -6.067 964 2HD2 ASN 125 2HD2 ASN 125 -13.040 14.142 -6.543 965 H GLU 126 H GLU 126 -14.380 12.415 -1.364 966 HA GLU 126 HA GLU 126 -13.245 10.809 0.672 967 1HB GLU 126 1HB GLU 126 -14.831 12.594 1.223 968 2HB GLU 126 2HB GLU 126 -16.073 11.858 0.229 969 1HG GLU 126 1HG GLU 126 -16.513 10.166 1.768 970 2HG GLU 126 2HG GLU 126 -14.866 10.122 2.363 971 H GLU 127 H GLU 127 -15.903 10.383 -1.764 972 HA GLU 127 HA GLU 127 -16.647 7.867 -1.046 973 1HB GLU 127 1HB GLU 127 -17.453 9.598 -2.943 974 2HB GLU 127 2HB GLU 127 -16.517 8.538 -3.976 975 1HG GLU 127 1HG GLU 127 -18.509 7.359 -2.014 976 2HG GLU 127 2HG GLU 127 -19.072 8.015 -3.538 977 H GLU 128 H GLU 128 -14.064 8.877 -3.383 978 HA GLU 128 HA GLU 128 -13.355 6.376 -4.216 979 1HB GLU 128 1HB GLU 128 -12.081 9.059 -4.113 980 2HB GLU 128 2HB GLU 128 -10.945 7.728 -4.220 981 1HG GLU 128 1HG GLU 128 -12.439 6.825 -6.151 982 2HG GLU 128 2HG GLU 128 -13.207 8.400 -6.143 983 H ALA 129 H ALA 129 -12.744 8.014 -1.143 984 HA ALA 129 HA ALA 129 -10.622 6.249 -0.369 985 1HB ALA 129 1HB ALA 129 -10.812 8.605 0.406 986 2HB ALA 129 2HB ALA 129 -12.319 8.186 1.256 987 3HB ALA 129 3HB ALA 129 -10.779 7.451 1.761 988 H LYS 130 H LYS 130 -14.172 6.533 0.092 989 HA LYS 130 HA LYS 130 -14.345 4.521 2.053 990 1HB LYS 130 1HB LYS 130 -16.131 6.240 0.535 991 2HB LYS 130 2HB LYS 130 -16.785 4.621 0.671 992 1HG LYS 130 1HG LYS 130 -17.547 5.474 2.685 993 2HG LYS 130 2HG LYS 130 -15.991 4.876 3.224 994 1HD LYS 130 1HD LYS 130 -14.986 7.123 2.923 995 2HD LYS 130 2HD LYS 130 -16.496 7.738 2.282 996 1HE LYS 130 1HE LYS 130 -16.601 6.410 4.981 997 2HE LYS 130 2HE LYS 130 -15.821 7.977 4.898 998 1HZ LYS 130 1HZ LYS 130 -17.750 8.974 4.264 999 2HZ LYS 130 2HZ LYS 130 -18.401 7.630 3.601 1000 3HZ LYS 130 3HZ LYS 130 -18.354 7.800 5.225 1001 H LYS 131 H LYS 131 -14.651 4.521 -1.549 1002 HA LYS 131 HA LYS 131 -15.255 1.769 -1.693 1003 1HB LYS 131 1HB LYS 131 -14.814 2.060 -4.100 1004 2HB LYS 131 2HB LYS 131 -15.890 3.286 -3.462 1005 1HG LYS 131 1HG LYS 131 -14.477 4.755 -4.503 1006 2HG LYS 131 2HG LYS 131 -13.474 4.534 -3.084 1007 1HD LYS 131 1HD LYS 131 -11.932 4.068 -4.778 1008 2HD LYS 131 2HD LYS 131 -12.507 2.453 -4.413 1009 1HE LYS 131 1HE LYS 131 -13.072 2.252 -6.604 1010 2HE LYS 131 2HE LYS 131 -14.360 3.403 -6.311 1011 1HZ LYS 131 1HZ LYS 131 -11.674 4.405 -6.799 1012 2HZ LYS 131 2HZ LYS 131 -12.567 3.889 -8.067 1013 3HZ LYS 131 3HZ LYS 131 -13.113 5.106 -7.124 1014 H PHE 132 H PHE 132 -12.289 3.636 -1.298 1015 HA PHE 132 HA PHE 132 -10.489 1.757 -2.301 1016 1HB PHE 132 1HB PHE 132 -10.522 4.303 -1.081 1017 2HB PHE 132 2HB PHE 132 -9.726 3.322 0.133 1018 HD1 PHE 132 1HD PHE 132 -7.540 2.345 -0.291 1019 HD2 PHE 132 2HD PHE 132 -9.472 4.706 -3.241 1020 HE1 PHE 132 1HE PHE 132 -5.376 2.547 -1.547 1021 HE2 PHE 132 2HE PHE 132 -7.309 4.908 -4.497 1022 HZ PHE 132 HZ PHE 132 -5.286 3.826 -3.635 1023 H ARG 133 H ARG 133 -11.524 2.405 1.130 1024 HA ARG 133 HA ARG 133 -10.098 0.250 2.135 1025 1HB ARG 133 1HB ARG 133 -11.310 2.355 3.282 1026 2HB ARG 133 2HB ARG 133 -12.631 1.221 3.479 1027 1HG ARG 133 1HG ARG 133 -10.434 -0.287 4.303 1028 2HG ARG 133 2HG ARG 133 -10.008 1.319 4.861 1029 1HD ARG 133 1HD ARG 133 -11.606 1.294 6.497 1030 2HD ARG 133 2HD ARG 133 -12.838 0.693 5.405 1031 HE ARG 133 HE ARG 133 -10.865 -1.348 6.112 1032 1HH1 ARG 133 2HH2 ARG 133 -13.846 0.227 7.118 1033 2HH1 ARG 133 1HH2 ARG 133 -14.370 -1.103 8.096 1034 1HH2 ARG 133 2HH1 ARG 133 -11.555 -3.103 7.402 1035 2HH2 ARG 133 1HH1 ARG 133 -13.057 -3.010 8.259 1036 H LYS 134 H LYS 134 -13.393 0.618 0.796 1037 HA LYS 134 HA LYS 134 -14.423 -1.815 1.751 1038 1HB LYS 134 1HB LYS 134 -15.356 0.403 0.320 1039 2HB LYS 134 2HB LYS 134 -15.548 -0.940 -0.788 1040 1HG LYS 134 1HG LYS 134 -16.352 -1.575 2.001 1041 2HG LYS 134 2HG LYS 134 -17.303 -0.297 1.271 1042 1HD LYS 134 1HD LYS 134 -16.966 -2.371 -0.706 1043 2HD LYS 134 2HD LYS 134 -17.454 -3.141 0.790 1044 1HE LYS 134 1HE LYS 134 -19.527 -2.589 -0.201 1045 2HE LYS 134 2HE LYS 134 -19.285 -1.271 0.928 1046 1HZ LYS 134 1HZ LYS 134 -19.107 -1.253 -1.955 1047 2HZ LYS 134 2HZ LYS 134 -19.702 -0.118 -0.942 1048 3HZ LYS 134 3HZ LYS 134 -18.088 -0.261 -1.151 1049 H ALA 135 H ALA 135 -12.616 -0.874 -1.217 1050 HA ALA 135 HA ALA 135 -12.885 -3.359 -2.495 1051 1HB ALA 135 1HB ALA 135 -10.501 -1.540 -2.842 1052 2HB ALA 135 2HB ALA 135 -11.408 -2.459 -4.067 1053 3HB ALA 135 3HB ALA 135 -12.119 -0.995 -3.345 1054 H VAL 136 H VAL 136 -10.292 -1.945 -0.390 1055 HA VAL 136 HA VAL 136 -8.552 -4.081 -0.499 1056 HB VAL 136 HB VAL 136 -9.164 -2.064 1.662 1057 1HG1 VAL 136 1HG1 VAL 136 -8.099 -3.681 2.934 1058 2HG1 VAL 136 2HG1 VAL 136 -7.112 -4.260 1.570 1059 3HG1 VAL 136 3HG1 VAL 136 -6.720 -2.714 2.361 1060 1HG2 VAL 136 1HG2 VAL 136 -8.067 -1.674 -0.806 1061 2HG2 VAL 136 2HG2 VAL 136 -7.726 -0.667 0.622 1062 3HG2 VAL 136 3HG2 VAL 136 -6.612 -1.981 0.171 1063 H THR 137 H THR 137 -11.154 -3.414 1.953 1064 HA THR 137 HA THR 137 -10.830 -5.783 3.368 1065 HB THR 137 HB THR 137 -13.302 -5.232 3.986 1066 HG1 THR 137 1HG THR 137 -13.952 -4.083 2.135 1067 1HG2 THR 137 1HG2 THR 137 -12.723 -3.196 5.194 1068 2HG2 THR 137 2HG2 THR 137 -11.268 -4.220 5.193 1069 3HG2 THR 137 3HG2 THR 137 -11.390 -2.846 4.068 1070 H ASP 138 H ASP 138 -12.933 -5.061 0.522 1071 HA ASP 138 HA ASP 138 -14.227 -7.459 0.467 1072 1HB ASP 138 1HB ASP 138 -13.701 -5.233 -1.354 1073 2HB ASP 138 2HB ASP 138 -13.695 -6.743 -2.243 1074 H LEU 139 H LEU 139 -10.980 -6.469 -0.719 1075 HA LEU 139 HA LEU 139 -10.505 -8.899 -2.132 1076 1HB LEU 139 1HB LEU 139 -9.143 -6.360 -1.615 1077 2HB LEU 139 2HB LEU 139 -8.054 -7.733 -1.655 1078 HG LEU 139 HG LEU 139 -8.692 -8.300 -3.891 1079 1HD1 LEU 139 1HD1 LEU 139 -10.580 -6.031 -4.251 1080 2HD1 LEU 139 2HD1 LEU 139 -10.560 -7.647 -4.996 1081 3HD1 LEU 139 3HD1 LEU 139 -11.167 -7.440 -3.336 1082 1HD2 LEU 139 1HD2 LEU 139 -7.662 -6.587 -5.014 1083 2HD2 LEU 139 2HD2 LEU 139 -8.527 -5.319 -4.112 1084 3HD2 LEU 139 3HD2 LEU 139 -7.193 -6.208 -3.338 1085 H LEU 140 H LEU 140 -9.562 -7.527 1.078 1086 HA LEU 140 HA LEU 140 -7.972 -9.706 1.824 1087 1HB LEU 140 1HB LEU 140 -9.203 -7.351 3.117 1088 2HB LEU 140 2HB LEU 140 -8.836 -8.694 4.182 1089 HG LEU 140 HG LEU 140 -6.498 -8.488 2.770 1090 1HD1 LEU 140 1HD1 LEU 140 -6.019 -5.941 2.999 1091 2HD1 LEU 140 2HD1 LEU 140 -6.854 -6.556 1.551 1092 3HD1 LEU 140 3HD1 LEU 140 -7.785 -5.776 2.853 1093 1HD2 LEU 140 1HD2 LEU 140 -6.655 -6.735 5.145 1094 2HD2 LEU 140 2HD2 LEU 140 -7.263 -8.393 5.368 1095 3HD2 LEU 140 3HD2 LEU 140 -5.598 -8.125 4.801 1096 H GLY 141 H GLY 141 -11.484 -9.086 1.933 1097 1HA GLY 141 1HA GLY 141 -12.159 -11.196 3.687 1098 2HA GLY 141 2HA GLY 141 -13.217 -10.382 2.551 1099 H ARG 142 H ARG 142 -12.016 -10.927 0.066 1100 HA ARG 142 HA ARG 142 -12.919 -13.537 -0.317 1101 1HB ARG 142 1HB ARG 142 -12.003 -11.286 -1.942 1102 2HB ARG 142 2HB ARG 142 -11.322 -12.776 -2.563 1103 1HG ARG 142 1HG ARG 142 -13.964 -13.505 -2.034 1104 2HG ARG 142 2HG ARG 142 -14.136 -11.845 -2.568 1105 1HD ARG 142 1HD ARG 142 -13.830 -12.487 -4.722 1106 2HD ARG 142 2HD ARG 142 -12.239 -13.107 -4.329 1107 HE ARG 142 HE ARG 142 -14.451 -14.890 -3.560 1108 1HH1 ARG 142 2HH2 ARG 142 -12.151 -14.016 -6.075 1109 2HH1 ARG 142 1HH2 ARG 142 -12.243 -15.551 -6.871 1110 1HH2 ARG 142 2HH1 ARG 142 -14.573 -16.916 -4.610 1111 2HH2 ARG 142 1HH1 ARG 142 -13.630 -17.212 -6.033 1112 H ARG 143 H ARG 143 -9.650 -11.998 -0.196 1113 HA ARG 143 HA ARG 143 -8.109 -14.002 -1.062 1114 1HB ARG 143 1HB ARG 143 -7.801 -11.770 0.875 1115 2HB ARG 143 2HB ARG 143 -6.666 -13.076 1.151 1116 1HG ARG 143 1HG ARG 143 -7.107 -11.856 -1.609 1117 2HG ARG 143 2HG ARG 143 -5.916 -11.228 -0.487 1118 1HD ARG 143 1HD ARG 143 -5.922 -14.192 -1.121 1119 2HD ARG 143 2HD ARG 143 -5.226 -13.073 -2.277 1120 HE ARG 143 HE ARG 143 -4.189 -12.432 0.306 1121 1HH1 ARG 143 2HH2 ARG 143 -4.002 -14.994 -2.097 1122 2HH1 ARG 143 1HH2 ARG 143 -2.411 -15.492 -1.630 1123 1HH2 ARG 143 2HH1 ARG 143 -2.088 -13.087 0.923 1124 2HH2 ARG 143 1HH1 ARG 143 -1.315 -14.400 0.099 1125 H GLN 144 H GLN 144 -7.304 -15.987 -0.267 1126 HA GLN 144 HA GLN 144 -7.594 -17.893 0.800 1127 1HB GLN 144 1HB GLN 144 -6.084 -16.062 2.314 1128 2HB GLN 144 2HB GLN 144 -7.133 -16.822 3.495 1129 1HG GLN 144 1HG GLN 144 -5.130 -18.175 3.347 1130 2HG GLN 144 2HG GLN 144 -6.425 -19.085 2.593 1131 1HE2 GLN 144 1HE2 GLN 144 -5.621 -20.186 0.978 1132 2HE2 GLN 144 2HE2 GLN 144 -4.572 -19.603 -0.271 Start of MODEL 8 1 1H ASP 1 H ASP 1 -8.896 18.446 10.994 2 HA ASP 1 HA ASP 1 -10.317 17.601 9.322 3 1HB ASP 1 1HB ASP 1 -8.147 18.632 7.435 4 2HB ASP 1 2HB ASP 1 -9.478 17.613 6.925 5 H LEU 2 H LEU 2 -6.698 17.646 8.873 6 HA LEU 2 HA LEU 2 -6.488 14.919 8.247 7 1HB LEU 2 1HB LEU 2 -4.412 16.787 9.399 8 2HB LEU 2 2HB LEU 2 -4.103 15.250 8.614 9 HG LEU 2 HG LEU 2 -5.535 16.584 6.680 10 1HD1 LEU 2 1HD1 LEU 2 -5.650 18.710 7.573 11 2HD1 LEU 2 2HD1 LEU 2 -4.049 18.596 8.343 12 3HD1 LEU 2 3HD1 LEU 2 -4.176 18.808 6.580 13 1HD2 LEU 2 1HD2 LEU 2 -3.651 15.342 6.074 14 2HD2 LEU 2 2HD2 LEU 2 -3.207 17.021 5.687 15 3HD2 LEU 2 3HD2 LEU 2 -2.578 16.251 7.164 16 HA PRO 3 HA PRO 3 -6.849 13.142 12.168 17 1HB PRO 3 1HB PRO 3 -5.748 10.687 11.691 18 2HB PRO 3 2HB PRO 3 -7.396 11.098 11.260 19 1HG PRO 3 1HG PRO 3 -5.036 10.821 9.503 20 2HG PRO 3 2HG PRO 3 -6.734 10.808 9.070 21 1HD PRO 3 1HD PRO 3 -4.890 12.975 8.712 22 2HD PRO 3 2HD PRO 3 -6.611 12.999 8.388 23 HA PRO 4 HA PRO 4 -3.262 13.557 14.393 24 1HB PRO 4 1HB PRO 4 -3.662 11.971 16.583 25 2HB PRO 4 2HB PRO 4 -4.358 13.571 16.418 26 1HG PRO 4 1HG PRO 4 -5.677 10.939 16.151 27 2HG PRO 4 2HG PRO 4 -6.406 12.511 16.412 28 1HD PRO 4 1HD PRO 4 -6.315 11.049 13.946 29 2HD PRO 4 2HD PRO 4 -6.941 12.669 14.181 30 HA PRO 5 HA PRO 5 -0.595 10.469 13.174 31 1HB PRO 5 1HB PRO 5 1.769 11.564 13.997 32 2HB PRO 5 2HB PRO 5 0.998 11.979 12.480 33 1HG PRO 5 1HG PRO 5 1.139 13.553 14.978 34 2HG PRO 5 2HG PRO 5 0.762 14.100 13.356 35 1HD PRO 5 1HD PRO 5 -1.098 13.657 15.495 36 2HD PRO 5 2HD PRO 5 -1.485 14.092 13.842 37 H GLU 6 H GLU 6 -0.024 8.506 13.916 38 HA GLU 6 HA GLU 6 0.107 8.420 16.820 39 1HB GLU 6 1HB GLU 6 -1.151 6.747 14.799 40 2HB GLU 6 2HB GLU 6 -0.047 5.782 15.757 41 1HG GLU 6 1HG GLU 6 -1.255 7.242 17.746 42 2HG GLU 6 2HG GLU 6 -2.564 7.170 16.582 43 HA PRO 7 HA PRO 7 4.259 7.176 16.630 44 1HB PRO 7 1HB PRO 7 4.533 5.706 18.917 45 2HB PRO 7 2HB PRO 7 4.540 7.458 18.898 46 1HG PRO 7 1HG PRO 7 2.396 5.621 19.774 47 2HG PRO 7 2HG PRO 7 2.596 7.324 20.132 48 1HD PRO 7 1HD PRO 7 0.768 6.171 18.247 49 2HD PRO 7 2HD PRO 7 1.051 7.879 18.522 50 H TYR 8 H TYR 8 5.202 5.920 15.164 51 HA TYR 8 HA TYR 8 4.072 3.251 14.900 52 1HB TYR 8 1HB TYR 8 4.370 4.488 12.835 53 2HB TYR 8 2HB TYR 8 5.887 5.180 13.374 54 HD1 TYR 8 1HD TYR 8 7.816 4.393 12.362 55 HD2 TYR 8 2HD TYR 8 4.450 1.772 12.693 56 HE1 TYR 8 1HE TYR 8 9.082 2.594 11.088 57 HE2 TYR 8 2HE TYR 8 5.728 -0.018 11.417 58 HH TYR 8 HH TYR 8 7.622 -0.597 10.546 59 H VAL 9 H VAL 9 4.999 1.502 15.836 60 HA VAL 9 HA VAL 9 7.873 1.690 16.415 61 HB VAL 9 HB VAL 9 6.514 1.902 18.437 62 1HG1 VAL 9 1HG1 VAL 9 4.657 0.721 18.804 63 2HG1 VAL 9 2HG1 VAL 9 4.855 -0.005 17.191 64 3HG1 VAL 9 3HG1 VAL 9 5.536 -0.815 18.622 65 1HG2 VAL 9 1HG2 VAL 9 8.724 0.739 18.466 66 2HG2 VAL 9 2HG2 VAL 9 7.618 0.204 19.754 67 3HG2 VAL 9 3HG2 VAL 9 7.867 -0.813 18.314 68 H GLN 10 H GLN 10 9.112 0.113 15.513 69 HA GLN 10 HA GLN 10 7.798 -1.772 13.857 70 1HB GLN 10 1HB GLN 10 10.068 -2.430 13.188 71 2HB GLN 10 2HB GLN 10 9.933 -0.683 13.209 72 1HG GLN 10 1HG GLN 10 10.828 -1.968 15.768 73 2HG GLN 10 2HG GLN 10 11.959 -2.043 14.430 74 1HE2 GLN 10 1HE2 GLN 10 12.942 -0.710 16.351 75 2HE2 GLN 10 2HE2 GLN 10 12.856 1.012 16.176 76 H THR 11 H THR 11 8.124 -4.151 13.962 77 HA THR 11 HA THR 11 9.019 -5.216 16.502 78 HB THR 11 HB THR 11 6.790 -6.336 16.886 79 HG1 THR 11 1HG THR 11 5.064 -5.188 15.509 80 1HG2 THR 11 1HG2 THR 11 7.333 -3.949 17.833 81 2HG2 THR 11 2HG2 THR 11 6.281 -3.353 16.527 82 3HG2 THR 11 3HG2 THR 11 5.624 -4.442 17.773 83 H THR 12 H THR 12 7.236 -5.970 13.434 84 HA THR 12 HA THR 12 9.300 -7.690 12.556 85 HB THR 12 HB THR 12 8.273 -9.065 14.444 86 HG1 THR 12 1HG THR 12 9.213 -9.813 12.261 87 1HG2 THR 12 1HG2 THR 12 6.086 -10.178 13.877 88 2HG2 THR 12 2HG2 THR 12 5.882 -8.437 14.181 89 3HG2 THR 12 3HG2 THR 12 5.893 -9.053 12.512 90 H LYS 13 H LYS 13 9.072 -8.239 10.389 91 HA LYS 13 HA LYS 13 6.526 -7.820 9.121 92 1HB LYS 13 1HB LYS 13 8.250 -5.609 9.354 93 2HB LYS 13 2HB LYS 13 8.461 -6.181 7.711 94 1HG LYS 13 1HG LYS 13 6.554 -5.021 7.243 95 2HG LYS 13 2HG LYS 13 5.711 -6.360 7.994 96 1HD LYS 13 1HD LYS 13 5.706 -5.215 10.170 97 2HD LYS 13 2HD LYS 13 6.717 -3.928 9.542 98 1HE LYS 13 1HE LYS 13 4.201 -4.427 8.005 99 2HE LYS 13 2HE LYS 13 3.970 -3.819 9.632 100 1HZ LYS 13 1HZ LYS 13 5.584 -2.583 7.515 101 2HZ LYS 13 2HZ LYS 13 4.213 -1.997 8.181 102 3HZ LYS 13 3HZ LYS 13 5.586 -2.062 9.063 103 H SER 14 H SER 14 6.522 -8.623 6.900 104 HA SER 14 HA SER 14 8.867 -9.677 5.795 105 1HB SER 14 1HB SER 14 8.036 -12.130 5.904 106 2HB SER 14 2HB SER 14 8.816 -11.473 7.329 107 HG SER 14 HG SER 14 6.830 -11.245 8.365 108 H TYR 15 H TYR 15 8.487 -10.387 3.603 109 HA TYR 15 HA TYR 15 5.733 -9.880 2.709 110 1HB TYR 15 1HB TYR 15 8.487 -9.775 1.326 111 2HB TYR 15 2HB TYR 15 6.979 -9.360 0.537 112 HD1 TYR 15 1HD TYR 15 5.546 -7.568 2.129 113 HD2 TYR 15 2HD TYR 15 9.799 -7.953 1.870 114 HE1 TYR 15 1HE TYR 15 5.818 -5.159 2.893 115 HE2 TYR 15 2HE TYR 15 10.056 -5.542 2.635 116 HH TYR 15 HH TYR 15 8.363 -3.399 2.431 117 HA PRO 16 HA PRO 16 5.609 -13.986 1.333 118 1HB PRO 16 1HB PRO 16 3.469 -13.853 -0.362 119 2HB PRO 16 2HB PRO 16 3.306 -13.999 1.376 120 1HG PRO 16 1HG PRO 16 2.883 -11.623 -0.331 121 2HG PRO 16 2HG PRO 16 2.330 -11.911 1.307 122 1HD PRO 16 1HD PRO 16 4.527 -10.250 0.504 123 2HD PRO 16 2HD PRO 16 4.046 -10.630 2.146 124 H SER 17 H SER 17 5.626 -11.444 -1.061 125 HA SER 17 HA SER 17 6.231 -13.090 -3.201 126 1HB SER 17 1HB SER 17 5.604 -10.974 -3.896 127 2HB SER 17 2HB SER 17 6.434 -10.170 -2.578 128 HG SER 17 HG SER 17 7.827 -11.456 -4.764 129 H LYS 18 H LYS 18 8.225 -11.608 -0.631 130 HA LYS 18 HA LYS 18 10.539 -13.019 -1.761 131 1HB LYS 18 1HB LYS 18 10.242 -10.230 -1.414 132 2HB LYS 18 2HB LYS 18 11.307 -10.761 -0.128 133 1HG LYS 18 1HG LYS 18 12.939 -11.574 -1.616 134 2HG LYS 18 2HG LYS 18 11.784 -11.842 -2.908 135 1HD LYS 18 1HD LYS 18 12.757 -9.915 -3.735 136 2HD LYS 18 2HD LYS 18 11.524 -9.162 -2.743 137 1HE LYS 18 1HE LYS 18 13.273 -8.030 -1.796 138 2HE LYS 18 2HE LYS 18 13.517 -9.500 -0.874 139 1HZ LYS 18 1HZ LYS 18 14.792 -10.046 -3.149 140 2HZ LYS 18 2HZ LYS 18 15.068 -8.442 -3.023 141 3HZ LYS 18 3HZ LYS 18 15.512 -9.446 -1.812 142 H LEU 19 H LEU 19 9.160 -14.640 -0.296 143 HA LEU 19 HA LEU 19 10.000 -14.283 2.484 144 1HB LEU 19 1HB LEU 19 7.643 -14.600 2.203 145 2HB LEU 19 2HB LEU 19 7.891 -16.011 1.194 146 HG LEU 19 HG LEU 19 8.581 -17.347 3.021 147 1HD1 LEU 19 1HD1 LEU 19 8.543 -15.971 5.372 148 2HD1 LEU 19 2HD1 LEU 19 10.010 -16.357 4.440 149 3HD1 LEU 19 3HD1 LEU 19 9.241 -14.761 4.269 150 1HD2 LEU 19 1HD2 LEU 19 6.608 -16.200 4.735 151 2HD2 LEU 19 2HD2 LEU 19 6.085 -15.984 3.047 152 3HD2 LEU 19 3HD2 LEU 19 6.475 -17.610 3.656 153 H ALA 20 H ALA 20 10.654 -15.996 -0.481 154 HA ALA 20 HA ALA 20 12.240 -17.457 -0.995 155 1HB ALA 20 1HB ALA 20 14.128 -17.762 0.430 156 2HB ALA 20 2HB ALA 20 13.556 -16.105 0.740 157 3HB ALA 20 3HB ALA 20 13.177 -17.407 1.892 158 H ARG 21 H ARG 21 9.527 -18.024 0.487 159 HA ARG 21 HA ARG 21 8.431 -19.714 1.319 160 1HB ARG 21 1HB ARG 21 9.994 -20.725 -1.000 161 2HB ARG 21 2HB ARG 21 9.404 -22.001 0.045 162 1HG ARG 21 1HG ARG 21 7.164 -21.535 -0.398 163 2HG ARG 21 2HG ARG 21 7.452 -19.825 -0.650 164 1HD ARG 21 1HD ARG 21 8.467 -20.268 -2.854 165 2HD ARG 21 2HD ARG 21 8.369 -21.998 -2.595 166 HE ARG 21 HE ARG 21 5.753 -20.821 -2.298 167 1HH1 ARG 21 2HH2 ARG 21 8.124 -21.678 -4.753 168 2HH1 ARG 21 1HH2 ARG 21 6.944 -21.880 -6.005 169 1HH2 ARG 21 2HH1 ARG 21 4.196 -21.088 -3.950 170 2HH2 ARG 21 1HH1 ARG 21 4.694 -21.542 -5.544 171 H ASN 22 H ASN 22 9.096 -19.827 3.525 172 HA ASN 22 HA ASN 22 11.439 -21.404 4.092 173 1HB ASN 22 1HB ASN 22 9.789 -19.375 5.511 174 2HB ASN 22 2HB ASN 22 10.290 -20.697 6.546 175 1HD2 ASN 22 1HD2 ASN 22 11.061 -17.770 6.146 176 2HD2 ASN 22 2HD2 ASN 22 12.792 -17.761 6.113 177 H GLU 23 H GLU 23 11.273 -23.228 5.708 178 HA GLU 23 HA GLU 23 9.537 -25.125 5.100 179 1HB GLU 23 1HB GLU 23 11.528 -24.885 6.936 180 2HB GLU 23 2HB GLU 23 10.156 -24.931 8.025 181 1HG GLU 23 1HG GLU 23 9.379 -27.012 6.628 182 2HG GLU 23 2HG GLU 23 11.016 -27.034 6.006 183 H SER 24 H SER 24 9.079 -23.004 8.029 184 HA SER 24 HA SER 24 7.290 -22.609 9.227 185 1HB SER 24 1HB SER 24 6.039 -22.200 6.474 186 2HB SER 24 2HB SER 24 5.412 -21.546 7.974 187 HG SER 24 HG SER 24 7.527 -20.425 8.215 188 H ARG 25 H ARG 25 7.342 -25.097 9.678 189 HA ARG 25 HA ARG 25 6.392 -27.056 9.796 190 1HB ARG 25 1HB ARG 25 4.343 -25.005 10.402 191 2HB ARG 25 2HB ARG 25 3.633 -26.547 9.967 192 1HG ARG 25 1HG ARG 25 5.874 -27.031 11.743 193 2HG ARG 25 2HG ARG 25 4.850 -25.803 12.460 194 1HD ARG 25 1HD ARG 25 3.012 -27.695 11.471 195 2HD ARG 25 2HD ARG 25 4.324 -28.680 12.085 196 HE ARG 25 HE ARG 25 3.544 -26.538 13.924 197 1HH1 ARG 25 2HH2 ARG 25 2.875 -29.836 12.897 198 2HH1 ARG 25 1HH2 ARG 25 2.140 -30.291 14.398 199 1HH2 ARG 25 2HH1 ARG 25 2.575 -27.137 15.905 200 2HH2 ARG 25 1HH1 ARG 25 1.968 -28.744 16.120 201 H GLY 26 H GLY 26 6.812 -27.969 7.699 202 1HA GLY 26 1HA GLY 26 5.184 -29.254 6.229 203 2HA GLY 26 2HA GLY 26 4.648 -27.667 5.713 204 H SER 27 H SER 27 6.270 -30.093 4.477 205 HA SER 27 HA SER 27 7.783 -28.455 2.775 206 1HB SER 27 1HB SER 27 9.149 -29.369 5.117 207 2HB SER 27 2HB SER 27 9.764 -30.320 3.780 208 HG SER 27 HG SER 27 9.492 -27.544 3.285 209 H GLY 28 H GLY 28 6.557 -29.536 1.156 210 1HA GLY 28 1HA GLY 28 7.133 -32.427 0.884 211 2HA GLY 28 2HA GLY 28 5.604 -31.686 0.453 212 H SER 29 H SER 29 6.829 -33.130 -1.513 213 HA SER 29 HA SER 29 7.764 -33.094 -3.486 214 1HB SER 29 1HB SER 29 6.493 -30.321 -3.539 215 2HB SER 29 2HB SER 29 7.070 -31.163 -4.964 216 HG SER 29 HG SER 29 5.387 -32.761 -3.425 217 H GLY 30 H GLY 30 10.014 -33.164 -3.077 218 1HA GLY 30 1HA GLY 30 11.443 -30.693 -2.530 219 2HA GLY 30 2HA GLY 30 12.092 -32.320 -2.590 220 H SER 31 H SER 31 10.495 -29.909 -4.800 221 HA SER 31 HA SER 31 12.675 -30.319 -6.635 222 1HB SER 31 1HB SER 31 9.779 -30.975 -7.256 223 2HB SER 31 2HB SER 31 10.868 -30.469 -8.533 224 HG SER 31 HG SER 31 11.722 -32.548 -6.762 225 H LEU 32 H LEU 32 12.571 -28.632 -8.461 226 HA LEU 32 HA LEU 32 12.175 -26.109 -7.368 227 1HB LEU 32 1HB LEU 32 13.013 -27.282 -9.900 228 2HB LEU 32 2HB LEU 32 12.134 -25.783 -10.123 229 HG LEU 32 HG LEU 32 14.552 -25.425 -10.009 230 1HD1 LEU 32 1HD1 LEU 32 13.927 -24.105 -7.499 231 2HD1 LEU 32 2HD1 LEU 32 14.198 -23.419 -9.119 232 3HD1 LEU 32 3HD1 LEU 32 12.578 -23.995 -8.655 233 1HD2 LEU 32 1HD2 LEU 32 15.031 -25.762 -7.207 234 2HD2 LEU 32 2HD2 LEU 32 14.429 -27.296 -7.881 235 3HD2 LEU 32 3HD2 LEU 32 15.862 -26.513 -8.591 236 H PHE 33 H PHE 33 10.430 -27.205 -10.337 237 HA PHE 33 HA PHE 33 8.376 -26.812 -11.038 238 1HB PHE 33 1HB PHE 33 8.282 -28.094 -8.534 239 2HB PHE 33 2HB PHE 33 7.212 -26.730 -8.277 240 HD1 PHE 33 1HD PHE 33 7.103 -30.019 -8.956 241 HD2 PHE 33 2HD PHE 33 5.704 -26.386 -10.641 242 HE1 PHE 33 1HE PHE 33 5.243 -31.264 -10.092 243 HE2 PHE 33 2HE PHE 33 3.844 -27.630 -11.779 244 HZ PHE 33 HZ PHE 33 3.636 -30.054 -11.490 245 H SER 34 H SER 34 8.703 -24.634 -11.743 246 HA SER 34 HA SER 34 7.360 -22.738 -9.999 247 1HB SER 34 1HB SER 34 9.772 -22.324 -9.740 248 2HB SER 34 2HB SER 34 9.983 -22.256 -11.478 249 HG SER 34 HG SER 34 8.471 -20.389 -11.462 250 H PHE 35 H PHE 35 5.731 -21.678 -11.087 251 HA PHE 35 HA PHE 35 5.466 -22.186 -13.902 252 1HB PHE 35 1HB PHE 35 3.788 -21.846 -11.701 253 2HB PHE 35 2HB PHE 35 3.702 -20.248 -12.416 254 HD1 PHE 35 1HD PHE 35 2.596 -23.656 -12.636 255 HD2 PHE 35 2HD PHE 35 2.938 -20.031 -14.814 256 HE1 PHE 35 1HE PHE 35 0.884 -24.481 -14.276 257 HE2 PHE 35 2HE PHE 35 1.227 -20.856 -16.456 258 HZ PHE 35 HZ PHE 35 0.220 -23.071 -16.167 259 H LEU 36 H LEU 36 5.774 -20.752 -15.583 260 HA LEU 36 HA LEU 36 7.186 -18.337 -14.942 261 1HB LEU 36 1HB LEU 36 7.197 -20.152 -17.023 262 2HB LEU 36 2HB LEU 36 6.395 -18.762 -17.725 263 HG LEU 36 HG LEU 36 8.955 -18.336 -16.226 264 1HD1 LEU 36 1HD1 LEU 36 8.910 -20.291 -18.124 265 2HD1 LEU 36 2HD1 LEU 36 9.292 -18.856 -19.105 266 3HD1 LEU 36 3HD1 LEU 36 10.327 -19.289 -17.723 267 1HD2 LEU 36 1HD2 LEU 36 9.189 -16.434 -17.573 268 2HD2 LEU 36 2HD2 LEU 36 8.027 -17.031 -18.781 269 3HD2 LEU 36 3HD2 LEU 36 7.453 -16.496 -17.184 270 H GLY 37 H GLY 37 5.500 -17.238 -13.708 271 1HA GLY 37 1HA GLY 37 3.475 -16.028 -15.493 272 2HA GLY 37 2HA GLY 37 3.110 -16.537 -13.857 273 H LYS 38 H LYS 38 3.608 -13.830 -15.599 274 HA LYS 38 HA LYS 38 4.342 -12.321 -13.287 275 1HB LYS 38 1HB LYS 38 6.580 -12.920 -13.949 276 2HB LYS 38 2HB LYS 38 6.267 -12.493 -15.620 277 1HG LYS 38 1HG LYS 38 5.610 -10.121 -14.504 278 2HG LYS 38 2HG LYS 38 6.686 -10.690 -13.243 279 1HD LYS 38 1HD LYS 38 7.553 -10.825 -16.148 280 2HD LYS 38 2HD LYS 38 7.674 -9.313 -15.269 281 1HE LYS 38 1HE LYS 38 9.593 -10.018 -14.289 282 2HE LYS 38 2HE LYS 38 8.741 -11.364 -13.558 283 1HZ LYS 38 1HZ LYS 38 9.927 -12.629 -14.897 284 2HZ LYS 38 2HZ LYS 38 9.059 -12.069 -16.163 285 3HZ LYS 38 3HZ LYS 38 10.482 -11.368 -15.773 286 H LYS 39 H LYS 39 2.154 -11.602 -13.695 287 HA LYS 39 HA LYS 39 2.132 -9.480 -15.675 288 1HB LYS 39 1HB LYS 39 0.983 -11.941 -16.299 289 2HB LYS 39 2HB LYS 39 -0.376 -10.979 -15.752 290 1HG LYS 39 1HG LYS 39 -0.395 -9.999 -17.799 291 2HG LYS 39 2HG LYS 39 1.094 -9.191 -17.354 292 1HD LYS 39 1HD LYS 39 2.455 -10.920 -18.359 293 2HD LYS 39 2HD LYS 39 1.090 -12.009 -18.510 294 1HE LYS 39 1HE LYS 39 0.051 -10.589 -20.211 295 2HE LYS 39 2HE LYS 39 1.230 -9.320 -19.950 296 1HZ LYS 39 1HZ LYS 39 2.064 -12.002 -20.766 297 2HZ LYS 39 2HZ LYS 39 1.601 -10.888 -21.866 298 3HZ LYS 39 3HZ LYS 39 2.887 -10.598 -20.904 299 H CYS 40 H CYS 40 2.013 -7.859 -14.163 300 HA CYS 40 HA CYS 40 0.449 -8.152 -11.822 301 1HB CYS 40 1HB CYS 40 1.759 -5.711 -13.063 302 2HB CYS 40 2HB CYS 40 0.975 -5.723 -11.495 303 HG CYS 40 HG CYS 40 3.835 -6.706 -12.469 304 H VAL 41 H VAL 41 -1.623 -7.236 -11.370 305 HA VAL 41 HA VAL 41 -2.985 -6.069 -13.695 306 HB VAL 41 HB VAL 41 -4.016 -8.146 -11.755 307 1HG1 VAL 41 1HG1 VAL 41 -5.674 -6.332 -12.398 308 2HG1 VAL 41 2HG1 VAL 41 -5.537 -6.921 -14.072 309 3HG1 VAL 41 3HG1 VAL 41 -6.150 -8.000 -12.795 310 1HG2 VAL 41 1HG2 VAL 41 -4.286 -8.738 -14.589 311 2HG2 VAL 41 2HG2 VAL 41 -2.588 -8.446 -14.144 312 3HG2 VAL 41 3HG2 VAL 41 -3.530 -9.693 -13.292 313 H THR 42 H THR 42 -4.527 -4.426 -13.217 314 HA THR 42 HA THR 42 -4.334 -3.437 -10.447 315 HB THR 42 HB THR 42 -4.555 -1.953 -13.120 316 HG1 THR 42 1HG THR 42 -2.593 -2.479 -11.022 317 1HG2 THR 42 1HG2 THR 42 -3.959 0.020 -11.502 318 2HG2 THR 42 2HG2 THR 42 -5.657 -0.512 -11.551 319 3HG2 THR 42 3HG2 THR 42 -4.600 -1.028 -10.215 320 H MET 43 H MET 43 -6.184 -2.698 -9.401 321 HA MET 43 HA MET 43 -8.639 -3.370 -10.831 322 1HB MET 43 1HB MET 43 -7.975 -3.606 -7.842 323 2HB MET 43 2HB MET 43 -9.552 -3.945 -8.526 324 1HG MET 43 1HG MET 43 -8.796 -5.888 -9.659 325 2HG MET 43 2HG MET 43 -7.122 -5.371 -9.643 326 1HE MET 43 1HE MET 43 -6.008 -5.824 -6.011 327 2HE MET 43 2HE MET 43 -5.842 -4.899 -7.522 328 3HE MET 43 3HE MET 43 -7.035 -4.400 -6.299 329 H SER 44 H SER 44 -7.321 -1.435 -8.045 330 HA SER 44 HA SER 44 -9.445 0.475 -8.534 331 1HB SER 44 1HB SER 44 -9.174 -0.294 -6.215 332 2HB SER 44 2HB SER 44 -7.482 0.164 -6.220 333 HG SER 44 HG SER 44 -9.656 2.034 -6.635 334 H SER 45 H SER 45 -8.624 2.902 -8.037 335 HA SER 45 HA SER 45 -6.002 3.552 -8.572 336 1HB SER 45 1HB SER 45 -6.171 4.410 -10.901 337 2HB SER 45 2HB SER 45 -6.365 2.670 -10.829 338 HG SER 45 HG SER 45 -8.093 4.530 -11.817 339 H ALA 46 H ALA 46 -6.790 4.869 -6.734 340 HA ALA 46 HA ALA 46 -8.477 7.109 -7.616 341 1HB ALA 46 1HB ALA 46 -8.280 7.019 -4.780 342 2HB ALA 46 2HB ALA 46 -9.700 6.653 -5.788 343 3HB ALA 46 3HB ALA 46 -8.577 5.352 -5.327 344 H VAL 47 H VAL 47 -7.934 9.215 -6.379 345 HA VAL 47 HA VAL 47 -5.047 9.540 -6.556 346 HB VAL 47 HB VAL 47 -6.200 11.084 -7.870 347 1HG1 VAL 47 1HG1 VAL 47 -8.104 11.354 -5.537 348 2HG1 VAL 47 2HG1 VAL 47 -8.033 12.564 -6.841 349 3HG1 VAL 47 3HG1 VAL 47 -8.452 10.875 -7.217 350 1HG2 VAL 47 1HG2 VAL 47 -5.921 13.302 -6.608 351 2HG2 VAL 47 2HG2 VAL 47 -5.397 12.313 -5.226 352 3HG2 VAL 47 3HG2 VAL 47 -4.487 12.259 -6.755 353 H VAL 48 H VAL 48 -3.764 9.725 -4.785 354 HA VAL 48 HA VAL 48 -5.006 10.592 -2.294 355 HB VAL 48 HB VAL 48 -4.543 8.726 -1.105 356 1HG1 VAL 48 1HG1 VAL 48 -5.375 6.838 -2.204 357 2HG1 VAL 48 2HG1 VAL 48 -6.014 8.188 -3.171 358 3HG1 VAL 48 3HG1 VAL 48 -4.601 7.271 -3.747 359 1HG2 VAL 48 1HG2 VAL 48 -2.166 8.517 -2.883 360 2HG2 VAL 48 2HG2 VAL 48 -2.301 8.345 -1.117 361 3HG2 VAL 48 3HG2 VAL 48 -2.774 6.999 -2.180 362 H GLN 49 H GLN 49 -3.240 11.066 -0.611 363 HA GLN 49 HA GLN 49 -0.828 11.906 -2.018 364 1HB GLN 49 1HB GLN 49 -2.369 13.460 0.106 365 2HB GLN 49 2HB GLN 49 -0.805 13.934 -0.525 366 1HG GLN 49 1HG GLN 49 -1.692 14.721 -2.486 367 2HG GLN 49 2HG GLN 49 -2.778 13.357 -2.657 368 1HE2 GLN 49 1HE2 GLN 49 -4.165 15.167 -3.401 369 2HE2 GLN 49 2HE2 GLN 49 -5.154 15.987 -2.240 370 H LEU 50 H LEU 50 1.011 11.046 -1.149 371 HA LEU 50 HA LEU 50 0.797 9.582 1.308 372 1HB LEU 50 1HB LEU 50 2.019 8.545 -0.397 373 2HB LEU 50 2HB LEU 50 2.932 9.995 -0.765 374 HG LEU 50 HG LEU 50 3.411 9.200 1.975 375 1HD1 LEU 50 1HD1 LEU 50 4.807 7.112 0.889 376 2HD1 LEU 50 2HD1 LEU 50 3.276 6.974 1.788 377 3HD1 LEU 50 3HD1 LEU 50 3.261 7.021 0.009 378 1HD2 LEU 50 1HD2 LEU 50 5.787 9.081 1.059 379 2HD2 LEU 50 2HD2 LEU 50 5.094 9.580 -0.503 380 3HD2 LEU 50 3HD2 LEU 50 4.941 10.640 0.919 381 H TYR 51 H TYR 51 1.294 10.282 3.323 382 HA TYR 51 HA TYR 51 2.895 12.742 3.503 383 1HB TYR 51 1HB TYR 51 0.237 11.827 4.676 384 2HB TYR 51 2HB TYR 51 1.249 12.839 5.687 385 HD1 TYR 51 1HD TYR 51 -0.752 12.714 2.593 386 HD2 TYR 51 2HD TYR 51 1.589 15.192 5.178 387 HE1 TYR 51 1HE TYR 51 -1.654 14.789 1.433 388 HE2 TYR 51 2HE TYR 51 0.679 17.258 4.009 389 HH TYR 51 HH TYR 51 -0.782 17.176 1.082 390 H ALA 52 H ALA 52 4.037 13.008 5.591 391 HA ALA 52 HA ALA 52 4.476 10.419 6.913 392 1HB ALA 52 1HB ALA 52 6.580 12.528 6.289 393 2HB ALA 52 2HB ALA 52 6.847 10.925 7.017 394 3HB ALA 52 3HB ALA 52 6.316 11.057 5.323 395 H ALA 53 H ALA 53 3.899 10.513 9.021 396 HA ALA 53 HA ALA 53 3.187 12.949 10.233 397 1HB ALA 53 1HB ALA 53 3.722 10.183 11.389 398 2HB ALA 53 2HB ALA 53 2.921 11.518 12.252 399 3HB ALA 53 3HB ALA 53 2.157 10.803 10.811 400 H ASP 54 H ASP 54 4.966 14.401 10.107 401 HA ASP 54 HA ASP 54 7.533 13.916 10.617 402 1HB ASP 54 1HB ASP 54 5.738 16.219 10.764 403 2HB ASP 54 2HB ASP 54 6.977 16.351 11.996 404 H ARG 55 H ARG 55 8.799 14.750 12.728 405 HA ARG 55 HA ARG 55 7.980 13.084 14.814 406 1HB ARG 55 1HB ARG 55 10.170 15.153 14.449 407 2HB ARG 55 2HB ARG 55 9.901 14.465 16.037 408 1HG ARG 55 1HG ARG 55 9.919 12.162 14.596 409 2HG ARG 55 2HG ARG 55 10.915 13.140 13.538 410 1HD ARG 55 1HD ARG 55 12.687 13.106 14.985 411 2HD ARG 55 2HD ARG 55 11.675 13.465 16.371 412 HE ARG 55 HE ARG 55 11.426 11.154 16.790 413 1HH1 ARG 55 2HH2 ARG 55 12.958 11.665 13.664 414 2HH1 ARG 55 1HH2 ARG 55 13.400 10.002 13.465 415 1HH2 ARG 55 2HH1 ARG 55 12.009 8.960 16.529 416 2HH2 ARG 55 1HH1 ARG 55 12.856 8.453 15.107 417 H ASN 56 H ASN 56 7.488 16.496 14.012 418 HA ASN 56 HA ASN 56 6.633 17.091 16.694 419 1HB ASN 56 1HB ASN 56 6.883 18.741 14.134 420 2HB ASN 56 2HB ASN 56 6.148 19.398 15.583 421 1HD2 ASN 56 1HD2 ASN 56 7.905 20.946 15.376 422 2HD2 ASN 56 2HD2 ASN 56 9.448 20.603 16.082 423 H CYS 57 H CYS 57 5.160 15.066 15.106 424 HA CYS 57 HA CYS 57 3.169 14.570 14.273 425 1HB CYS 57 1HB CYS 57 2.380 16.436 16.530 426 2HB CYS 57 2HB CYS 57 1.238 15.425 15.667 427 HG CYS 57 HG CYS 57 3.926 14.583 17.401 428 H MET 58 H MET 58 3.840 15.781 12.224 429 HA MET 58 HA MET 58 1.770 17.651 11.609 430 1HB MET 58 1HB MET 58 4.687 18.410 11.885 431 2HB MET 58 2HB MET 58 3.806 19.121 10.548 432 1HG MET 58 1HG MET 58 2.026 19.446 12.682 433 2HG MET 58 2HG MET 58 3.585 19.675 13.452 434 1HE MET 58 1HE MET 58 2.720 21.107 9.461 435 2HE MET 58 2HE MET 58 1.557 20.202 10.460 436 3HE MET 58 3HE MET 58 1.417 21.971 10.313 437 H TRP 59 H TRP 59 1.060 16.096 10.080 438 HA TRP 59 HA TRP 59 2.464 14.550 8.411 439 1HB TRP 59 1HB TRP 59 0.077 16.124 7.456 440 2HB TRP 59 2HB TRP 59 0.595 14.528 6.950 441 HD1 TRP 59 HD TRP 59 -1.439 16.255 9.667 442 HE1 TRP 59 1HE TRP 59 -2.635 14.521 11.256 443 HE3 TRP 59 3HE TRP 59 1.007 12.160 7.907 444 HZ2 TRP 59 2HZ TRP 59 -2.430 11.695 11.590 445 HZ3 TRP 59 3HZ TRP 59 0.451 9.951 8.919 446 HH2 TRP 59 HH TRP 59 -1.203 9.680 10.700 447 H SER 60 H SER 60 3.493 14.756 6.347 448 HA SER 60 HA SER 60 3.770 17.451 5.346 449 1HB SER 60 1HB SER 60 5.732 16.485 6.996 450 2HB SER 60 2HB SER 60 6.321 15.900 5.453 451 HG SER 60 HG SER 60 7.177 17.982 5.792 452 H LYS 61 H LYS 61 3.282 17.324 3.189 453 HA LYS 61 HA LYS 61 3.115 14.840 1.876 454 1HB LYS 61 1HB LYS 61 2.545 16.187 -0.091 455 2HB LYS 61 2HB LYS 61 1.649 16.696 1.327 456 1HG LYS 61 1HG LYS 61 2.393 18.802 0.922 457 2HG LYS 61 2HG LYS 61 3.977 18.263 1.443 458 1HD LYS 61 1HD LYS 61 4.814 18.342 -0.674 459 2HD LYS 61 2HD LYS 61 3.453 17.451 -1.329 460 1HE LYS 61 1HE LYS 61 2.909 19.424 -2.350 461 2HE LYS 61 2HE LYS 61 2.256 19.877 -0.788 462 1HZ LYS 61 1HZ LYS 61 5.057 20.294 -0.956 463 2HZ LYS 61 2HZ LYS 61 4.240 21.147 -2.085 464 3HZ LYS 61 3HZ LYS 61 3.879 21.330 -0.503 465 H LYS 62 H LYS 62 4.679 13.625 0.963 466 HA LYS 62 HA LYS 62 7.257 14.933 0.516 467 1HB LYS 62 1HB LYS 62 6.401 12.290 1.470 468 2HB LYS 62 2HB LYS 62 7.656 12.212 0.250 469 1HG LYS 62 1HG LYS 62 8.801 14.132 1.674 470 2HG LYS 62 2HG LYS 62 7.734 13.584 2.953 471 1HD LYS 62 1HD LYS 62 9.107 11.837 3.389 472 2HD LYS 62 2HD LYS 62 8.910 11.244 1.752 473 1HE LYS 62 1HE LYS 62 10.684 13.004 1.056 474 2HE LYS 62 2HE LYS 62 11.000 13.219 2.766 475 1HZ LYS 62 1HZ LYS 62 10.974 10.514 1.718 476 2HZ LYS 62 2HZ LYS 62 12.268 11.453 1.383 477 3HZ LYS 62 3HZ LYS 62 11.862 11.146 2.934 478 H CYS 63 H CYS 63 4.660 12.995 -1.024 479 HA CYS 63 HA CYS 63 5.161 14.113 -3.522 480 1HB CYS 63 1HB CYS 63 6.752 11.715 -2.930 481 2HB CYS 63 2HB CYS 63 5.766 11.544 -4.369 482 HG CYS 63 HG CYS 63 6.468 14.207 -5.049 483 H SER 64 H SER 64 2.951 14.291 -3.853 484 HA SER 64 HA SER 64 1.360 11.933 -3.276 485 1HB SER 64 1HB SER 64 -0.497 13.824 -3.852 486 2HB SER 64 2HB SER 64 0.174 13.602 -2.248 487 HG SER 64 HG SER 64 1.227 15.478 -2.386 488 H GLY 65 H GLY 65 -0.640 11.736 -4.904 489 1HA GLY 65 1HA GLY 65 -0.627 12.653 -7.481 490 2HA GLY 65 2HA GLY 65 0.490 11.303 -7.502 491 H VAL 66 H VAL 66 -0.811 9.883 -8.729 492 HA VAL 66 HA VAL 66 -3.392 9.193 -7.521 493 HB VAL 66 HB VAL 66 -2.348 8.601 -10.296 494 1HG1 VAL 66 1HG1 VAL 66 -4.088 7.053 -9.545 495 2HG1 VAL 66 2HG1 VAL 66 -5.138 8.422 -9.107 496 3HG1 VAL 66 3HG1 VAL 66 -4.715 8.135 -10.813 497 1HG2 VAL 66 1HG2 VAL 66 -2.560 11.043 -9.877 498 2HG2 VAL 66 2HG2 VAL 66 -3.708 10.443 -11.098 499 3HG2 VAL 66 3HG2 VAL 66 -4.268 10.795 -9.446 500 H ALA 67 H ALA 67 -3.705 7.191 -6.632 501 HA ALA 67 HA ALA 67 -1.405 5.377 -6.782 502 1HB ALA 67 1HB ALA 67 -1.967 6.151 -4.536 503 2HB ALA 67 2HB ALA 67 -3.662 5.660 -4.757 504 3HB ALA 67 3HB ALA 67 -2.380 4.427 -4.686 505 H CYS 68 H CYS 68 -1.956 2.996 -6.796 506 HA CYS 68 HA CYS 68 -4.559 2.394 -7.890 507 1HB CYS 68 1HB CYS 68 -3.834 1.462 -9.941 508 2HB CYS 68 2HB CYS 68 -3.091 3.047 -9.853 509 HG CYS 68 HG CYS 68 -0.967 1.760 -8.400 510 H LEU 69 H LEU 69 -5.117 0.190 -7.472 511 HA LEU 69 HA LEU 69 -3.247 -1.145 -5.679 512 1HB LEU 69 1HB LEU 69 -5.843 -0.602 -5.357 513 2HB LEU 69 2HB LEU 69 -6.004 -2.150 -6.163 514 HG LEU 69 HG LEU 69 -4.054 -2.152 -3.952 515 1HD1 LEU 69 1HD1 LEU 69 -5.786 -0.538 -3.125 516 2HD1 LEU 69 2HD1 LEU 69 -6.984 -1.848 -3.258 517 3HD1 LEU 69 3HD1 LEU 69 -5.606 -2.012 -2.144 518 1HD2 LEU 69 1HD2 LEU 69 -4.868 -4.295 -3.556 519 2HD2 LEU 69 2HD2 LEU 69 -6.456 -3.937 -4.276 520 3HD2 LEU 69 3HD2 LEU 69 -5.025 -4.113 -5.320 521 H VAL 70 H VAL 70 -1.804 -2.460 -6.666 522 HA VAL 70 HA VAL 70 -2.700 -3.872 -9.064 523 HB VAL 70 HB VAL 70 0.020 -3.283 -7.890 524 1HG1 VAL 70 1HG1 VAL 70 -0.035 -5.547 -8.906 525 2HG1 VAL 70 2HG1 VAL 70 -0.606 -4.825 -10.430 526 3HG1 VAL 70 3HG1 VAL 70 1.008 -4.414 -9.800 527 1HG2 VAL 70 1HG2 VAL 70 -0.584 -2.486 -10.656 528 2HG2 VAL 70 2HG2 VAL 70 -1.613 -1.697 -9.437 529 3HG2 VAL 70 3HG2 VAL 70 0.158 -1.561 -9.328 530 H LYS 71 H LYS 71 -2.971 -6.074 -9.105 531 HA LYS 71 HA LYS 71 -2.181 -7.502 -6.663 532 1HB LYS 71 1HB LYS 71 -4.218 -8.642 -6.575 533 2HB LYS 71 2HB LYS 71 -4.675 -6.983 -6.904 534 1HG LYS 71 1HG LYS 71 -5.943 -8.027 -8.539 535 2HG LYS 71 2HG LYS 71 -4.471 -7.789 -9.460 536 1HD LYS 71 1HD LYS 71 -4.813 -10.057 -9.851 537 2HD LYS 71 2HD LYS 71 -3.795 -10.155 -8.428 538 1HE LYS 71 1HE LYS 71 -5.588 -10.714 -7.006 539 2HE LYS 71 2HE LYS 71 -6.785 -9.951 -8.035 540 1HZ LYS 71 1HZ LYS 71 -5.689 -12.588 -8.184 541 2HZ LYS 71 2HZ LYS 71 -7.141 -12.033 -8.686 542 3HZ LYS 71 3HZ LYS 71 -5.824 -11.844 -9.632 543 H ASP 72 H ASP 72 -0.600 -8.929 -7.112 544 HA ASP 72 HA ASP 72 0.010 -9.586 -9.760 545 1HB ASP 72 1HB ASP 72 1.132 -9.954 -7.122 546 2HB ASP 72 2HB ASP 72 1.129 -11.513 -7.922 547 H ASN 73 H ASN 73 -0.353 -11.597 -10.893 548 HA ASN 73 HA ASN 73 -2.644 -13.006 -10.019 549 1HB ASN 73 1HB ASN 73 -1.140 -12.661 -12.467 550 2HB ASN 73 2HB ASN 73 -1.273 -14.384 -12.170 551 1HD2 ASN 73 1HD2 ASN 73 -2.577 -12.213 -13.967 552 2HD2 ASN 73 2HD2 ASN 73 -4.266 -12.594 -13.935 553 HA PRO 74 HA PRO 74 0.737 -16.360 -9.562 554 1HB PRO 74 1HB PRO 74 3.369 -15.643 -9.699 555 2HB PRO 74 2HB PRO 74 2.478 -16.283 -11.065 556 1HG PRO 74 1HG PRO 74 3.310 -13.496 -10.537 557 2HG PRO 74 2HG PRO 74 2.810 -14.224 -12.050 558 1HD PRO 74 1HD PRO 74 1.244 -12.501 -10.375 559 2HD PRO 74 2HD PRO 74 0.708 -13.322 -11.827 560 H GLN 75 H GLN 75 1.857 -13.271 -8.313 561 HA GLN 75 HA GLN 75 2.780 -14.419 -5.927 562 1HB GLN 75 1HB GLN 75 2.921 -11.914 -7.183 563 2HB GLN 75 2HB GLN 75 1.992 -11.590 -5.734 564 1HG GLN 75 1HG GLN 75 4.587 -13.183 -5.649 565 2HG GLN 75 2HG GLN 75 4.576 -11.433 -5.548 566 1HE2 GLN 75 1HE2 GLN 75 4.133 -14.382 -3.921 567 2HE2 GLN 75 2HE2 GLN 75 3.644 -13.787 -2.370 568 H ARG 76 H ARG 76 -0.366 -13.309 -7.098 569 HA ARG 76 HA ARG 76 -2.351 -13.349 -6.249 570 1HB ARG 76 1HB ARG 76 -0.955 -15.482 -4.755 571 2HB ARG 76 2HB ARG 76 -2.298 -14.821 -3.845 572 1HG ARG 76 1HG ARG 76 -3.650 -16.167 -5.079 573 2HG ARG 76 2HG ARG 76 -3.367 -15.074 -6.419 574 1HD ARG 76 1HD ARG 76 -1.276 -16.449 -6.981 575 2HD ARG 76 2HD ARG 76 -1.787 -17.605 -5.767 576 HE ARG 76 HE ARG 76 -4.029 -17.208 -7.425 577 1HH1 ARG 76 2HH2 ARG 76 -0.735 -18.387 -7.797 578 2HH1 ARG 76 1HH2 ARG 76 -1.125 -19.442 -9.114 579 1HH2 ARG 76 2HH1 ARG 76 -4.545 -18.602 -9.162 580 2HH2 ARG 76 1HH1 ARG 76 -3.306 -19.565 -9.895 581 H SER 77 H SER 77 0.002 -11.580 -5.079 582 HA SER 77 HA SER 77 -1.426 -10.771 -2.670 583 1HB SER 77 1HB SER 77 1.462 -10.183 -3.459 584 2HB SER 77 2HB SER 77 0.701 -9.728 -1.947 585 HG SER 77 HG SER 77 1.481 -12.325 -2.873 586 H TYR 78 H TYR 78 -1.032 -8.242 -2.243 587 HA TYR 78 HA TYR 78 -1.607 -6.900 -4.796 588 1HB TYR 78 1HB TYR 78 -2.276 -6.181 -1.875 589 2HB TYR 78 2HB TYR 78 -2.905 -5.357 -3.288 590 HD1 TYR 78 1HD TYR 78 -3.512 -7.906 -0.892 591 HD2 TYR 78 2HD TYR 78 -4.316 -6.820 -4.951 592 HE1 TYR 78 1HE TYR 78 -5.516 -9.472 -0.922 593 HE2 TYR 78 2HE TYR 78 -6.316 -8.389 -4.967 594 HH TYR 78 HH TYR 78 -7.762 -9.472 -3.576 595 H PHE 79 H PHE 79 -0.702 -4.804 -5.184 596 HA PHE 79 HA PHE 79 1.498 -4.125 -3.365 597 1HB PHE 79 1HB PHE 79 1.307 -4.173 -6.434 598 2HB PHE 79 2HB PHE 79 2.630 -3.391 -5.591 599 HD1 PHE 79 1HD PHE 79 1.369 -6.475 -6.878 600 HD2 PHE 79 2HD PHE 79 4.092 -4.830 -4.070 601 HE1 PHE 79 1HE PHE 79 2.608 -8.657 -6.801 602 HE2 PHE 79 2HE PHE 79 5.331 -7.011 -3.994 603 HZ PHE 79 HZ PHE 79 4.574 -8.899 -5.360 604 H LEU 80 H LEU 80 1.571 -2.003 -2.727 605 HA LEU 80 HA LEU 80 -0.432 -0.250 -3.926 606 1HB LEU 80 1HB LEU 80 0.459 -0.773 -1.273 607 2HB LEU 80 2HB LEU 80 0.855 0.892 -1.651 608 HG LEU 80 HG LEU 80 -1.312 0.749 -0.573 609 1HD1 LEU 80 1HD1 LEU 80 -0.983 1.799 -3.304 610 2HD1 LEU 80 2HD1 LEU 80 -2.673 1.601 -2.780 611 3HD1 LEU 80 3HD1 LEU 80 -1.554 2.598 -1.819 612 1HD2 LEU 80 1HD2 LEU 80 -2.981 -0.679 -1.087 613 2HD2 LEU 80 2HD2 LEU 80 -2.660 -0.607 -2.836 614 3HD2 LEU 80 3HD2 LEU 80 -1.652 -1.634 -1.788 615 H ARG 81 H ARG 81 0.263 0.981 -5.587 616 HA ARG 81 HA ARG 81 2.915 2.131 -5.269 617 1HB ARG 81 1HB ARG 81 1.648 0.947 -7.782 618 2HB ARG 81 2HB ARG 81 3.025 2.027 -7.861 619 1HG ARG 81 1HG ARG 81 4.394 0.497 -6.531 620 2HG ARG 81 2HG ARG 81 3.011 -0.520 -6.179 621 1HD ARG 81 1HD ARG 81 3.232 -1.653 -8.144 622 2HD ARG 81 2HD ARG 81 3.311 -0.171 -9.074 623 HE ARG 81 HE ARG 81 5.799 -0.274 -7.873 624 1HH1 ARG 81 2HH2 ARG 81 3.949 -2.549 -9.818 625 2HH1 ARG 81 1HH2 ARG 81 5.351 -3.313 -10.490 626 1HH2 ARG 81 2HH1 ARG 81 7.650 -1.281 -8.759 627 2HH2 ARG 81 1HH1 ARG 81 7.470 -2.587 -9.884 628 H ILE 82 H ILE 82 3.081 4.352 -5.827 629 HA ILE 82 HA ILE 82 0.555 5.579 -6.694 630 HB ILE 82 HB ILE 82 2.568 6.377 -4.626 631 1HG1 ILE 82 1HG1 ILE 82 -0.225 7.002 -4.140 632 2HG1 ILE 82 2HG1 ILE 82 -0.034 5.316 -4.581 633 1HG2 ILE 82 1HG2 ILE 82 2.624 8.441 -5.517 634 2HG2 ILE 82 2HG2 ILE 82 1.157 8.181 -6.492 635 3HG2 ILE 82 3HG2 ILE 82 1.018 8.595 -4.767 636 1HD1 ILE 82 1HD1 ILE 82 0.845 4.836 -2.552 637 2HD1 ILE 82 2HD1 ILE 82 2.110 6.068 -2.771 638 3HD1 ILE 82 3HD1 ILE 82 0.539 6.521 -2.066 639 H PHE 83 H PHE 83 0.600 6.890 -8.480 640 HA PHE 83 HA PHE 83 3.261 7.307 -9.649 641 1HB PHE 83 1HB PHE 83 1.489 7.534 -11.731 642 2HB PHE 83 2HB PHE 83 2.167 5.990 -11.256 643 HD1 PHE 83 1HD PHE 83 0.813 4.697 -9.405 644 HD2 PHE 83 2HD PHE 83 -0.811 7.752 -11.862 645 HE1 PHE 83 1HE PHE 83 -1.497 3.815 -8.975 646 HE2 PHE 83 2HE PHE 83 -3.121 6.870 -11.432 647 HZ PHE 83 HZ PHE 83 -3.437 4.912 -9.993 648 H ASP 84 H ASP 84 3.671 9.331 -10.722 649 HA ASP 84 HA ASP 84 2.430 11.485 -9.429 650 1HB ASP 84 1HB ASP 84 4.835 11.256 -10.438 651 2HB ASP 84 2HB ASP 84 4.093 11.669 -11.970 652 H ILE 85 H ILE 85 1.407 13.380 -10.705 653 HA ILE 85 HA ILE 85 -0.282 12.277 -12.834 654 HB ILE 85 HB ILE 85 -1.525 12.954 -10.906 655 1HG1 ILE 85 1HG1 ILE 85 -1.944 15.190 -12.882 656 2HG1 ILE 85 2HG1 ILE 85 -2.263 13.527 -13.331 657 1HG2 ILE 85 1HG2 ILE 85 -1.258 15.742 -10.747 658 2HG2 ILE 85 2HG2 ILE 85 -0.738 14.528 -9.555 659 3HG2 ILE 85 3HG2 ILE 85 0.401 15.102 -10.795 660 1HD1 ILE 85 1HD1 ILE 85 -3.644 15.235 -11.259 661 2HD1 ILE 85 2HD1 ILE 85 -4.352 14.176 -12.503 662 3HD1 ILE 85 3HD1 ILE 85 -3.620 13.467 -11.044 663 H LYS 86 H LYS 86 2.449 14.213 -12.236 664 HA LYS 86 HA LYS 86 1.938 15.752 -14.686 665 1HB LYS 86 1HB LYS 86 3.060 16.475 -12.077 666 2HB LYS 86 2HB LYS 86 4.100 16.934 -13.410 667 1HG LYS 86 1HG LYS 86 2.356 18.229 -14.464 668 2HG LYS 86 2HG LYS 86 1.114 17.532 -13.441 669 1HD LYS 86 1HD LYS 86 1.502 19.672 -12.483 670 2HD LYS 86 2HD LYS 86 2.387 18.580 -11.437 671 1HE LYS 86 1HE LYS 86 4.118 19.368 -13.631 672 2HE LYS 86 2HE LYS 86 3.413 20.810 -12.927 673 1HZ LYS 86 1HZ LYS 86 4.986 18.748 -11.573 674 2HZ LYS 86 2HZ LYS 86 5.292 20.349 -11.676 675 3HZ LYS 86 3HZ LYS 86 4.072 19.809 -10.734 676 H ASP 87 H ASP 87 4.261 13.718 -12.842 677 HA ASP 87 HA ASP 87 5.969 13.669 -15.168 678 1HB ASP 87 1HB ASP 87 6.265 13.222 -12.286 679 2HB ASP 87 2HB ASP 87 6.956 11.888 -13.188 680 H GLY 88 H GLY 88 3.331 11.985 -13.729 681 1HA GLY 88 1HA GLY 88 2.461 9.910 -13.936 682 2HA GLY 88 2HA GLY 88 2.961 10.074 -15.607 683 H LYS 89 H LYS 89 4.834 9.674 -12.514 684 HA LYS 89 HA LYS 89 5.820 7.131 -13.560 685 1HB LYS 89 1HB LYS 89 7.472 9.549 -12.867 686 2HB LYS 89 2HB LYS 89 8.127 7.941 -12.627 687 1HG LYS 89 1HG LYS 89 6.791 8.498 -15.267 688 2HG LYS 89 2HG LYS 89 8.344 9.258 -14.982 689 1HD LYS 89 1HD LYS 89 9.453 7.299 -15.293 690 2HD LYS 89 2HD LYS 89 8.436 6.465 -14.135 691 1HE LYS 89 1HE LYS 89 6.955 5.700 -15.762 692 2HE LYS 89 2HE LYS 89 7.190 7.095 -16.795 693 1HZ LYS 89 1HZ LYS 89 9.463 5.350 -16.400 694 2HZ LYS 89 2HZ LYS 89 8.248 4.788 -17.336 695 3HZ LYS 89 3HZ LYS 89 9.007 6.179 -17.731 696 H LEU 90 H LEU 90 7.160 6.004 -11.707 697 HA LEU 90 HA LEU 90 5.389 5.754 -9.535 698 1HB LEU 90 1HB LEU 90 7.847 4.509 -10.516 699 2HB LEU 90 2HB LEU 90 7.750 4.554 -8.768 700 HG LEU 90 HG LEU 90 6.866 2.472 -9.913 701 1HD1 LEU 90 1HD1 LEU 90 6.386 2.934 -7.586 702 2HD1 LEU 90 2HD1 LEU 90 5.034 3.997 -8.043 703 3HD1 LEU 90 3HD1 LEU 90 4.944 2.252 -8.377 704 1HD2 LEU 90 1HD2 LEU 90 5.566 2.923 -11.696 705 2HD2 LEU 90 2HD2 LEU 90 4.272 2.991 -10.476 706 3HD2 LEU 90 3HD2 LEU 90 5.033 4.494 -11.052 707 H LEU 91 H LEU 91 5.200 6.943 -7.716 708 HA LEU 91 HA LEU 91 7.492 8.652 -7.037 709 1HB LEU 91 1HB LEU 91 4.552 9.120 -7.080 710 2HB LEU 91 2HB LEU 91 5.477 9.885 -5.804 711 HG LEU 91 HG LEU 91 5.969 10.208 -8.778 712 1HD1 LEU 91 1HD1 LEU 91 3.883 11.268 -7.985 713 2HD1 LEU 91 2HD1 LEU 91 4.825 12.184 -6.785 714 3HD1 LEU 91 3HD1 LEU 91 5.097 12.452 -8.524 715 1HD2 LEU 91 1HD2 LEU 91 7.478 12.086 -8.000 716 2HD2 LEU 91 2HD2 LEU 91 7.378 11.373 -6.371 717 3HD2 LEU 91 3HD2 LEU 91 8.069 10.431 -7.714 718 H TRP 92 H TRP 92 5.641 5.911 -6.179 719 HA TRP 92 HA TRP 92 7.033 5.698 -3.698 720 1HB TRP 92 1HB TRP 92 5.079 7.214 -3.160 721 2HB TRP 92 2HB TRP 92 4.025 5.862 -3.520 722 HD1 TRP 92 HD TRP 92 7.017 6.560 -1.094 723 HE1 TRP 92 1HE TRP 92 6.664 5.289 1.190 724 HE3 TRP 92 3HE TRP 92 2.715 4.218 -2.457 725 HZ2 TRP 92 2HZ TRP 92 4.670 3.486 2.150 726 HZ3 TRP 92 3HZ TRP 92 1.629 2.718 -0.788 727 HH2 TRP 92 HH TRP 92 2.539 2.336 1.449 728 H GLU 93 H GLU 93 6.955 3.486 -2.941 729 HA GLU 93 HA GLU 93 5.360 1.704 -4.574 730 1HB GLU 93 1HB GLU 93 7.275 0.223 -5.014 731 2HB GLU 93 2HB GLU 93 7.580 1.818 -5.672 732 1HG GLU 93 1HG GLU 93 8.683 2.222 -3.248 733 2HG GLU 93 2HG GLU 93 8.835 0.477 -3.280 734 H GLN 94 H GLN 94 4.386 0.135 -3.336 735 HA GLN 94 HA GLN 94 5.601 -0.363 -0.734 736 1HB GLN 94 1HB GLN 94 3.655 1.085 -0.392 737 2HB GLN 94 2HB GLN 94 2.645 0.034 -1.363 738 1HG GLN 94 1HG GLN 94 2.306 -0.346 1.082 739 2HG GLN 94 2HG GLN 94 2.870 -1.792 0.267 740 1HE2 GLN 94 1HE2 GLN 94 3.646 -2.614 2.212 741 2HE2 GLN 94 2HE2 GLN 94 5.120 -2.069 2.941 742 H GLU 95 H GLU 95 5.716 -2.529 -0.108 743 HA GLU 95 HA GLU 95 4.592 -4.385 -2.056 744 1HB GLU 95 1HB GLU 95 7.254 -4.072 -1.214 745 2HB GLU 95 2HB GLU 95 6.703 -5.476 -0.323 746 1HG GLU 95 1HG GLU 95 6.266 -6.722 -2.274 747 2HG GLU 95 2HG GLU 95 6.033 -5.295 -3.264 748 H LEU 96 H LEU 96 2.533 -4.248 -0.804 749 HA LEU 96 HA LEU 96 2.081 -4.638 1.777 750 1HB LEU 96 1HB LEU 96 0.642 -6.168 -0.392 751 2HB LEU 96 2HB LEU 96 0.018 -5.746 1.190 752 HG LEU 96 HG LEU 96 0.682 -3.830 -1.061 753 1HD1 LEU 96 1HD1 LEU 96 -1.361 -4.421 -1.747 754 2HD1 LEU 96 2HD1 LEU 96 -1.757 -5.213 -0.202 755 3HD1 LEU 96 3HD1 LEU 96 -1.950 -3.452 -0.375 756 1HD2 LEU 96 1HD2 LEU 96 -0.304 -2.084 0.430 757 2HD2 LEU 96 2HD2 LEU 96 -0.251 -3.263 1.763 758 3HD2 LEU 96 3HD2 LEU 96 1.260 -2.730 0.985 759 H TYR 97 H TYR 97 1.782 -6.436 3.246 760 HA TYR 97 HA TYR 97 3.384 -8.778 2.461 761 1HB TYR 97 1HB TYR 97 3.624 -8.709 5.150 762 2HB TYR 97 2HB TYR 97 4.648 -7.684 4.163 763 HD1 TYR 97 1HD TYR 97 1.979 -7.777 6.626 764 HD2 TYR 97 2HD TYR 97 4.091 -5.251 3.893 765 HE1 TYR 97 1HE TYR 97 1.102 -5.720 7.837 766 HE2 TYR 97 2HE TYR 97 3.206 -3.204 5.114 767 HH TYR 97 HH TYR 97 2.297 -2.533 7.074 768 H ASN 98 H ASN 98 2.828 -10.796 3.702 769 HA ASN 98 HA ASN 98 0.282 -11.517 3.346 770 1HB ASN 98 1HB ASN 98 2.447 -12.850 4.164 771 2HB ASN 98 2HB ASN 98 1.776 -12.594 5.763 772 1HD2 ASN 98 1HD2 ASN 98 2.065 -14.847 3.586 773 2HD2 ASN 98 2HD2 ASN 98 0.559 -15.697 3.681 774 H ASN 99 H ASN 99 -1.673 -11.448 4.584 775 HA ASN 99 HA ASN 99 -3.092 -10.828 6.101 776 1HB ASN 99 1HB ASN 99 -0.635 -11.265 7.723 777 2HB ASN 99 2HB ASN 99 -1.770 -10.164 8.476 778 1HD2 ASN 99 1HD2 ASN 99 -1.099 -12.670 9.494 779 2HD2 ASN 99 2HD2 ASN 99 -2.488 -13.705 9.476 780 H PHE 100 H PHE 100 -2.652 -8.827 4.425 781 HA PHE 100 HA PHE 100 -1.542 -6.520 5.749 782 1HB PHE 100 1HB PHE 100 -1.227 -6.991 3.304 783 2HB PHE 100 2HB PHE 100 -2.962 -7.061 3.074 784 HD1 PHE 100 1HD PHE 100 -0.781 -4.592 4.838 785 HD2 PHE 100 2HD PHE 100 -3.603 -5.289 1.746 786 HE1 PHE 100 1HE PHE 100 -0.810 -2.138 4.312 787 HE2 PHE 100 2HE PHE 100 -3.631 -2.835 1.220 788 HZ PHE 100 HZ PHE 100 -2.235 -1.289 2.509 789 H VAL 101 H VAL 101 -2.677 -4.800 6.628 790 HA VAL 101 HA VAL 101 -5.603 -4.982 6.443 791 HB VAL 101 HB VAL 101 -4.869 -5.806 8.600 792 1HG1 VAL 101 1HG1 VAL 101 -3.163 -4.965 9.779 793 2HG1 VAL 101 2HG1 VAL 101 -2.809 -3.942 8.366 794 3HG1 VAL 101 3HG1 VAL 101 -3.818 -3.312 9.690 795 1HG2 VAL 101 1HG2 VAL 101 -6.140 -4.294 10.050 796 2HG2 VAL 101 2HG2 VAL 101 -6.039 -3.011 8.820 797 3HG2 VAL 101 3HG2 VAL 101 -6.953 -4.500 8.479 798 H TYR 102 H TYR 102 -6.706 -2.861 6.765 799 HA TYR 102 HA TYR 102 -4.946 -0.667 5.894 800 1HB TYR 102 1HB TYR 102 -7.026 -1.931 4.545 801 2HB TYR 102 2HB TYR 102 -7.934 -0.711 5.416 802 HD1 TYR 102 1HD TYR 102 -5.457 1.306 5.278 803 HD2 TYR 102 2HD TYR 102 -7.669 -0.944 2.391 804 HE1 TYR 102 1HE TYR 102 -4.873 3.015 3.490 805 HE2 TYR 102 2HE TYR 102 -7.078 0.771 0.610 806 HH TYR 102 HH TYR 102 -6.455 3.390 0.774 807 H ASN 103 H ASN 103 -4.677 0.809 7.490 808 HA ASN 103 HA ASN 103 -6.581 0.908 9.605 809 1HB ASN 103 1HB ASN 103 -3.830 1.738 9.145 810 2HB ASN 103 2HB ASN 103 -4.734 3.119 9.735 811 1HD2 ASN 103 1HD2 ASN 103 -2.651 1.400 10.957 812 2HD2 ASN 103 2HD2 ASN 103 -3.293 0.838 12.464 813 H SER 104 H SER 104 -8.385 2.258 9.551 814 HA SER 104 HA SER 104 -8.128 4.702 7.992 815 1HB SER 104 1HB SER 104 -9.420 3.217 6.590 816 2HB SER 104 2HB SER 104 -10.410 2.691 7.938 817 HG SER 104 HG SER 104 -11.752 4.246 7.351 818 HA PRO 105 HA PRO 105 -9.605 5.631 12.153 819 1HB PRO 105 1HB PRO 105 -8.011 7.807 12.594 820 2HB PRO 105 2HB PRO 105 -7.565 6.180 13.070 821 1HG PRO 105 1HG PRO 105 -6.557 7.793 10.806 822 2HG PRO 105 2HG PRO 105 -5.845 6.372 11.545 823 1HD PRO 105 1HD PRO 105 -7.262 6.483 9.054 824 2HD PRO 105 2HD PRO 105 -6.652 5.046 9.850 825 H ARG 106 H ARG 106 -9.553 7.247 9.199 826 HA ARG 106 HA ARG 106 -11.567 9.056 10.276 827 1HB ARG 106 1HB ARG 106 -9.192 9.763 9.003 828 2HB ARG 106 2HB ARG 106 -10.329 9.793 7.670 829 1HG ARG 106 1HG ARG 106 -10.338 12.007 8.638 830 2HG ARG 106 2HG ARG 106 -11.856 11.255 9.087 831 1HD ARG 106 1HD ARG 106 -9.734 10.683 11.054 832 2HD ARG 106 2HD ARG 106 -9.982 12.405 10.848 833 HE ARG 106 HE ARG 106 -11.872 10.497 12.012 834 1HH1 ARG 106 2HH2 ARG 106 -11.549 13.630 10.443 835 2HH1 ARG 106 1HH2 ARG 106 -13.027 14.252 11.096 836 1HH2 ARG 106 2HH1 ARG 106 -13.823 11.317 12.875 837 2HH2 ARG 106 1HH1 ARG 106 -14.329 12.928 12.489 838 H GLY 107 H GLY 107 -12.624 9.992 7.810 839 1HA GLY 107 1HA GLY 107 -13.959 7.557 6.855 840 2HA GLY 107 2HA GLY 107 -14.543 9.204 6.726 841 H TYR 108 H TYR 108 -11.615 10.016 5.934 842 HA TYR 108 HA TYR 108 -11.500 8.818 3.280 843 1HB TYR 108 1HB TYR 108 -11.979 10.879 2.231 844 2HB TYR 108 2HB TYR 108 -12.898 11.141 3.700 845 HD1 TYR 108 1HD TYR 108 -10.864 11.778 5.700 846 HD2 TYR 108 2HD TYR 108 -11.082 12.926 1.585 847 HE1 TYR 108 1HE TYR 108 -9.472 13.847 6.197 848 HE2 TYR 108 2HE TYR 108 -9.689 14.991 2.094 849 HH TYR 108 HH TYR 108 -8.776 15.774 5.417 850 H PHE 109 H PHE 109 -9.902 8.886 5.909 851 HA PHE 109 HA PHE 109 -7.387 9.592 4.615 852 1HB PHE 109 1HB PHE 109 -8.565 11.317 6.373 853 2HB PHE 109 2HB PHE 109 -7.877 10.217 7.552 854 HD1 PHE 109 1HD PHE 109 -7.215 12.909 5.259 855 HD2 PHE 109 2HD PHE 109 -5.385 9.863 7.580 856 HE1 PHE 109 1HE PHE 109 -5.011 14.097 5.082 857 HE2 PHE 109 2HE PHE 109 -3.182 11.050 7.403 858 HZ PHE 109 HZ PHE 109 -3.020 13.154 6.156 859 H HIS 110 H HIS 110 -6.487 7.568 4.481 860 HA HIS 110 HA HIS 110 -6.701 5.888 6.862 861 1HB HIS 110 1HB HIS 110 -5.829 5.060 4.085 862 2HB HIS 110 2HB HIS 110 -6.235 4.014 5.431 863 HD2 HIS 110 2HD HIS 110 -9.101 6.021 5.957 864 HE1 HIS 110 1HE HIS 110 -10.223 4.012 2.377 865 HE2 HIS 110 2HE HIS 110 -11.034 5.350 4.438 866 H THR 111 H THR 111 -4.831 5.026 7.863 867 HA THR 111 HA THR 111 -2.299 6.189 6.907 868 HB THR 111 HB THR 111 -1.732 6.452 9.351 869 HG1 THR 111 1HG THR 111 -3.102 5.095 10.480 870 1HG2 THR 111 1HG2 THR 111 -4.443 7.709 8.675 871 2HG2 THR 111 2HG2 THR 111 -3.277 8.296 9.886 872 3HG2 THR 111 3HG2 THR 111 -2.878 8.377 8.153 873 H PHE 112 H PHE 112 -0.345 4.987 7.690 874 HA PHE 112 HA PHE 112 -0.723 2.308 8.557 875 1HB PHE 112 1HB PHE 112 0.088 1.280 6.426 876 2HB PHE 112 2HB PHE 112 -1.381 2.186 6.119 877 HD1 PHE 112 1HD PHE 112 -1.014 4.684 5.361 878 HD2 PHE 112 2HD PHE 112 1.921 1.633 5.059 879 HE1 PHE 112 1HE PHE 112 0.168 5.997 3.578 880 HE2 PHE 112 2HE PHE 112 3.103 2.948 3.276 881 HZ PHE 112 HZ PHE 112 2.212 5.114 2.557 882 H ALA 113 H ALA 113 1.600 1.090 7.953 883 HA ALA 113 HA ALA 113 3.552 2.918 9.105 884 1HB ALA 113 1HB ALA 113 3.899 1.063 10.337 885 2HB ALA 113 2HB ALA 113 2.945 0.057 9.221 886 3HB ALA 113 3HB ALA 113 4.668 0.360 8.892 887 H GLY 114 H GLY 114 5.395 3.600 8.044 888 1HA GLY 114 1HA GLY 114 5.471 3.084 5.172 889 2HA GLY 114 2HA GLY 114 6.348 4.312 6.063 890 H ASP 115 H ASP 115 8.040 3.254 4.449 891 HA ASP 115 HA ASP 115 9.050 0.813 4.668 892 1HB ASP 115 1HB ASP 115 10.965 3.158 4.769 893 2HB ASP 115 2HB ASP 115 11.096 1.686 3.827 894 H THR 116 H THR 116 10.433 3.642 6.520 895 HA THR 116 HA THR 116 10.823 1.845 8.813 896 HB THR 116 HB THR 116 13.099 2.681 9.062 897 HG1 THR 116 1HG THR 116 13.755 4.410 7.573 898 1HG2 THR 116 1HG2 THR 116 12.599 1.022 7.048 899 2HG2 THR 116 2HG2 THR 116 12.895 2.458 6.038 900 3HG2 THR 116 3HG2 THR 116 14.174 1.849 7.116 901 H CYS 117 H CYS 117 9.348 4.572 7.560 902 HA CYS 117 HA CYS 117 9.200 5.701 10.256 903 1HB CYS 117 1HB CYS 117 9.132 7.953 9.351 904 2HB CYS 117 2HB CYS 117 10.618 7.160 8.863 905 HG CYS 117 HG CYS 117 8.387 6.332 6.826 906 H GLN 118 H GLN 118 7.080 6.908 10.585 907 HA GLN 118 HA GLN 118 4.992 5.347 9.476 908 1HB GLN 118 1HB GLN 118 4.977 6.103 11.839 909 2HB GLN 118 2HB GLN 118 4.914 7.775 11.321 910 1HG GLN 118 1HG GLN 118 2.645 7.479 11.553 911 2HG GLN 118 2HG GLN 118 2.773 6.827 9.932 912 1HE2 GLN 118 1HE2 GLN 118 1.275 6.308 12.655 913 2HE2 GLN 118 2HE2 GLN 118 1.216 4.580 12.759 914 H VAL 119 H VAL 119 3.417 5.939 7.954 915 HA VAL 119 HA VAL 119 3.551 8.662 6.915 916 HB VAL 119 HB VAL 119 3.394 7.587 4.592 917 1HG1 VAL 119 1HG1 VAL 119 6.007 7.466 6.138 918 2HG1 VAL 119 2HG1 VAL 119 5.845 7.526 4.366 919 3HG1 VAL 119 3HG1 VAL 119 5.313 8.907 5.356 920 1HG2 VAL 119 1HG2 VAL 119 3.043 5.283 5.209 921 2HG2 VAL 119 2HG2 VAL 119 4.620 5.414 4.396 922 3HG2 VAL 119 3HG2 VAL 119 4.542 5.260 6.168 923 H ALA 120 H ALA 120 1.593 9.247 5.673 924 HA ALA 120 HA ALA 120 -0.648 7.433 6.213 925 1HB ALA 120 1HB ALA 120 -1.904 9.721 6.616 926 2HB ALA 120 2HB ALA 120 -0.975 8.966 7.934 927 3HB ALA 120 3HB ALA 120 -0.272 10.315 7.010 928 H LEU 121 H LEU 121 -2.571 7.943 4.802 929 HA LEU 121 HA LEU 121 -1.692 9.208 2.301 930 1HB LEU 121 1HB LEU 121 -2.910 7.512 1.065 931 2HB LEU 121 2HB LEU 121 -1.607 6.824 2.014 932 HG LEU 121 HG LEU 121 -4.342 6.837 3.218 933 1HD1 LEU 121 1HD1 LEU 121 -5.288 5.275 1.886 934 2HD1 LEU 121 2HD1 LEU 121 -4.227 6.011 0.660 935 3HD1 LEU 121 3HD1 LEU 121 -3.732 4.511 1.481 936 1HD2 LEU 121 1HD2 LEU 121 -2.207 6.010 4.343 937 2HD2 LEU 121 2HD2 LEU 121 -3.609 4.914 4.354 938 3HD2 LEU 121 3HD2 LEU 121 -2.274 4.638 3.210 939 H ASN 122 H ASN 122 -3.146 10.607 1.335 940 HA ASN 122 HA ASN 122 -5.704 10.825 2.716 941 1HB ASN 122 1HB ASN 122 -4.197 12.720 3.336 942 2HB ASN 122 2HB ASN 122 -3.936 13.086 1.642 943 1HD2 ASN 122 1HD2 ASN 122 -4.856 14.986 3.356 944 2HD2 ASN 122 2HD2 ASN 122 -6.500 15.404 3.005 945 H PHE 123 H PHE 123 -7.359 10.427 1.241 946 HA PHE 123 HA PHE 123 -6.786 10.318 -1.542 947 1HB PHE 123 1HB PHE 123 -9.426 10.300 0.042 948 2HB PHE 123 2HB PHE 123 -9.235 9.708 -1.597 949 HD1 PHE 123 1HD PHE 123 -7.493 7.777 -1.907 950 HD2 PHE 123 2HD PHE 123 -9.257 8.813 1.811 951 HE1 PHE 123 1HE PHE 123 -6.961 5.491 -1.018 952 HE2 PHE 123 2HE PHE 123 -8.725 6.527 2.700 953 HZ PHE 123 HZ PHE 123 -7.583 4.893 1.276 954 H ALA 124 H ALA 124 -7.858 11.552 -3.243 955 HA ALA 124 HA ALA 124 -7.961 14.326 -2.608 956 1HB ALA 124 1HB ALA 124 -7.891 14.618 -4.898 957 2HB ALA 124 2HB ALA 124 -7.226 12.971 -4.789 958 3HB ALA 124 3HB ALA 124 -8.936 13.214 -5.220 959 H ASN 125 H ASN 125 -10.331 11.724 -3.364 960 HA ASN 125 HA ASN 125 -12.414 13.668 -2.750 961 1HB ASN 125 1HB ASN 125 -12.223 11.384 -4.690 962 2HB ASN 125 2HB ASN 125 -13.767 11.547 -3.877 963 1HD2 ASN 125 1HD2 ASN 125 -12.650 12.082 -6.670 964 2HD2 ASN 125 2HD2 ASN 125 -13.243 13.653 -7.097 965 H GLU 126 H GLU 126 -14.341 12.684 -1.530 966 HA GLU 126 HA GLU 126 -13.352 11.084 0.587 967 1HB GLU 126 1HB GLU 126 -15.203 13.010 0.519 968 2HB GLU 126 2HB GLU 126 -16.289 11.667 0.220 969 1HG GLU 126 1HG GLU 126 -16.261 11.123 2.419 970 2HG GLU 126 2HG GLU 126 -14.528 10.877 2.356 971 H GLU 127 H GLU 127 -15.861 10.666 -2.006 972 HA GLU 127 HA GLU 127 -16.659 8.155 -1.314 973 1HB GLU 127 1HB GLU 127 -16.648 9.791 -3.810 974 2HB GLU 127 2HB GLU 127 -16.870 8.069 -4.043 975 1HG GLU 127 1HG GLU 127 -18.491 9.033 -1.796 976 2HG GLU 127 2HG GLU 127 -18.839 9.945 -3.250 977 H GLU 128 H GLU 128 -13.980 9.140 -3.553 978 HA GLU 128 HA GLU 128 -13.234 6.658 -4.362 979 1HB GLU 128 1HB GLU 128 -11.901 9.311 -4.086 980 2HB GLU 128 2HB GLU 128 -10.811 7.944 -4.217 981 1HG GLU 128 1HG GLU 128 -12.170 7.188 -6.261 982 2HG GLU 128 2HG GLU 128 -13.017 8.721 -6.177 983 H ALA 129 H ALA 129 -12.672 8.286 -1.248 984 HA ALA 129 HA ALA 129 -10.668 6.457 -0.378 985 1HB ALA 129 1HB ALA 129 -10.868 8.785 0.450 986 2HB ALA 129 2HB ALA 129 -12.447 8.386 1.168 987 3HB ALA 129 3HB ALA 129 -10.968 7.605 1.778 988 H LYS 130 H LYS 130 -14.237 6.800 -0.023 989 HA LYS 130 HA LYS 130 -14.483 4.669 1.811 990 1HB LYS 130 1HB LYS 130 -16.098 6.684 0.986 991 2HB LYS 130 2HB LYS 130 -16.776 5.362 0.056 992 1HG LYS 130 1HG LYS 130 -16.647 4.038 2.357 993 2HG LYS 130 2HG LYS 130 -16.556 5.638 3.065 994 1HD LYS 130 1HD LYS 130 -18.650 6.163 1.535 995 2HD LYS 130 2HD LYS 130 -18.812 4.420 1.445 996 1HE LYS 130 1HE LYS 130 -18.348 5.355 4.208 997 2HE LYS 130 2HE LYS 130 -19.785 6.065 3.501 998 1HZ LYS 130 1HZ LYS 130 -20.810 4.120 3.561 999 2HZ LYS 130 2HZ LYS 130 -19.546 3.291 2.940 1000 3HZ LYS 130 3HZ LYS 130 -19.616 3.596 4.544 1001 H LYS 131 H LYS 131 -14.344 4.934 -1.740 1002 HA LYS 131 HA LYS 131 -15.222 2.237 -2.134 1003 1HB LYS 131 1HB LYS 131 -13.815 4.006 -4.141 1004 2HB LYS 131 2HB LYS 131 -14.905 2.670 -4.449 1005 1HG LYS 131 1HG LYS 131 -16.074 4.802 -2.738 1006 2HG LYS 131 2HG LYS 131 -15.648 5.343 -4.349 1007 1HD LYS 131 1HD LYS 131 -17.009 2.708 -4.329 1008 2HD LYS 131 2HD LYS 131 -17.992 3.995 -3.657 1009 1HE LYS 131 1HE LYS 131 -17.312 5.371 -5.774 1010 2HE LYS 131 2HE LYS 131 -16.758 3.845 -6.436 1011 1HZ LYS 131 1HZ LYS 131 -18.875 3.017 -6.458 1012 2HZ LYS 131 2HZ LYS 131 -19.436 4.022 -5.299 1013 3HZ LYS 131 3HZ LYS 131 -19.163 4.586 -6.808 1014 H PHE 132 H PHE 132 -12.177 3.949 -1.559 1015 HA PHE 132 HA PHE 132 -10.436 2.040 -2.594 1016 1HB PHE 132 1HB PHE 132 -10.403 4.508 -1.205 1017 2HB PHE 132 2HB PHE 132 -9.662 3.412 -0.056 1018 HD1 PHE 132 1HD PHE 132 -7.692 1.976 -0.923 1019 HD2 PHE 132 2HD PHE 132 -9.128 5.431 -2.924 1020 HE1 PHE 132 1HE PHE 132 -5.505 2.180 -2.138 1021 HE2 PHE 132 2HE PHE 132 -6.941 5.636 -4.139 1022 HZ PHE 132 HZ PHE 132 -5.156 4.009 -3.732 1023 H ARG 133 H ARG 133 -11.565 2.539 0.832 1024 HA ARG 133 HA ARG 133 -10.262 0.307 1.793 1025 1HB ARG 133 1HB ARG 133 -11.658 2.375 2.917 1026 2HB ARG 133 2HB ARG 133 -12.856 1.106 3.082 1027 1HG ARG 133 1HG ARG 133 -10.600 -0.228 3.930 1028 2HG ARG 133 2HG ARG 133 -10.211 1.405 4.434 1029 1HD ARG 133 1HD ARG 133 -12.715 1.384 5.375 1030 2HD ARG 133 2HD ARG 133 -12.507 -0.355 5.321 1031 HE ARG 133 HE ARG 133 -10.241 0.969 6.589 1032 1HH1 ARG 133 2HH2 ARG 133 -13.509 -0.214 7.142 1033 2HH1 ARG 133 1HH2 ARG 133 -13.283 -0.419 8.847 1034 1HH2 ARG 133 2HH1 ARG 133 -9.942 0.698 8.838 1035 2HH2 ARG 133 1HH1 ARG 133 -11.240 0.104 9.818 1036 H LYS 134 H LYS 134 -13.575 0.806 0.461 1037 HA LYS 134 HA LYS 134 -14.648 -1.656 1.145 1038 1HB LYS 134 1HB LYS 134 -15.389 0.629 -0.368 1039 2HB LYS 134 2HB LYS 134 -15.641 -0.762 -1.404 1040 1HG LYS 134 1HG LYS 134 -17.658 -0.802 -0.264 1041 2HG LYS 134 2HG LYS 134 -16.719 -1.805 0.823 1042 1HD LYS 134 1HD LYS 134 -16.221 0.912 1.590 1043 2HD LYS 134 2HD LYS 134 -17.949 0.775 1.340 1044 1HE LYS 134 1HE LYS 134 -17.687 0.136 3.604 1045 2HE LYS 134 2HE LYS 134 -17.805 -1.403 2.774 1046 1HZ LYS 134 1HZ LYS 134 -15.747 -0.554 4.343 1047 2HZ LYS 134 2HZ LYS 134 -15.770 -1.896 3.412 1048 3HZ LYS 134 3HZ LYS 134 -15.140 -0.507 2.827 1049 H ALA 135 H ALA 135 -12.613 -0.640 -1.645 1050 HA ALA 135 HA ALA 135 -12.830 -3.070 -3.034 1051 1HB ALA 135 1HB ALA 135 -10.375 -1.336 -3.166 1052 2HB ALA 135 2HB ALA 135 -11.284 -2.117 -4.481 1053 3HB ALA 135 3HB ALA 135 -11.937 -0.662 -3.690 1054 H VAL 136 H VAL 136 -10.257 -1.765 -0.820 1055 HA VAL 136 HA VAL 136 -8.609 -3.953 -0.852 1056 HB VAL 136 HB VAL 136 -9.272 -1.959 1.316 1057 1HG1 VAL 136 1HG1 VAL 136 -8.304 -3.559 2.648 1058 2HG1 VAL 136 2HG1 VAL 136 -7.356 -4.261 1.315 1059 3HG1 VAL 136 3HG1 VAL 136 -6.841 -2.731 2.063 1060 1HG2 VAL 136 1HG2 VAL 136 -7.245 -2.120 -0.904 1061 2HG2 VAL 136 2HG2 VAL 136 -8.291 -0.764 -0.416 1062 3HG2 VAL 136 3HG2 VAL 136 -6.879 -1.200 0.576 1063 H THR 137 H THR 137 -11.200 -3.245 1.605 1064 HA THR 137 HA THR 137 -11.053 -5.628 2.960 1065 HB THR 137 HB THR 137 -13.360 -5.037 3.676 1066 HG1 THR 137 1HG THR 137 -13.022 -3.397 1.273 1067 1HG2 THR 137 1HG2 THR 137 -12.360 -3.328 4.829 1068 2HG2 THR 137 2HG2 THR 137 -11.188 -3.057 3.517 1069 3HG2 THR 137 3HG2 THR 137 -12.785 -2.274 3.458 1070 H ASP 138 H ASP 138 -13.048 -4.882 0.033 1071 HA ASP 138 HA ASP 138 -14.328 -7.266 -0.120 1072 1HB ASP 138 1HB ASP 138 -13.602 -5.076 -1.948 1073 2HB ASP 138 2HB ASP 138 -13.683 -6.609 -2.793 1074 H LEU 139 H LEU 139 -11.019 -6.305 -1.177 1075 HA LEU 139 HA LEU 139 -10.476 -8.724 -2.552 1076 1HB LEU 139 1HB LEU 139 -8.712 -6.514 -1.496 1077 2HB LEU 139 2HB LEU 139 -8.113 -7.877 -2.419 1078 HG LEU 139 HG LEU 139 -9.810 -5.572 -3.317 1079 1HD1 LEU 139 1HD1 LEU 139 -8.141 -5.164 -4.840 1080 2HD1 LEU 139 2HD1 LEU 139 -7.207 -5.859 -3.493 1081 3HD1 LEU 139 3HD1 LEU 139 -7.622 -6.867 -4.900 1082 1HD2 LEU 139 1HD2 LEU 139 -9.888 -8.360 -4.422 1083 2HD2 LEU 139 2HD2 LEU 139 -11.204 -7.184 -4.194 1084 3HD2 LEU 139 3HD2 LEU 139 -10.034 -6.966 -5.518 1085 H LEU 140 H LEU 140 -9.820 -7.461 0.765 1086 HA LEU 140 HA LEU 140 -8.308 -9.680 1.577 1087 1HB LEU 140 1HB LEU 140 -9.611 -7.342 2.831 1088 2HB LEU 140 2HB LEU 140 -9.343 -8.717 3.883 1089 HG LEU 140 HG LEU 140 -6.903 -8.462 2.609 1090 1HD1 LEU 140 1HD1 LEU 140 -6.393 -6.355 2.062 1091 2HD1 LEU 140 2HD1 LEU 140 -8.154 -6.101 1.987 1092 3HD1 LEU 140 3HD1 LEU 140 -7.254 -5.677 3.464 1093 1HD2 LEU 140 1HD2 LEU 140 -7.103 -6.920 5.096 1094 2HD2 LEU 140 2HD2 LEU 140 -7.875 -8.521 5.177 1095 3HD2 LEU 140 3HD2 LEU 140 -6.161 -8.381 4.716 1096 H GLY 141 H GLY 141 -11.820 -8.956 1.540 1097 1HA GLY 141 1HA GLY 141 -12.658 -11.114 3.132 1098 2HA GLY 141 2HA GLY 141 -13.612 -10.249 1.943 1099 H ARG 142 H ARG 142 -12.301 -10.754 -0.469 1100 HA ARG 142 HA ARG 142 -13.226 -13.302 -1.018 1101 1HB ARG 142 1HB ARG 142 -11.829 -11.115 -2.471 1102 2HB ARG 142 2HB ARG 142 -11.487 -12.708 -3.119 1103 1HG ARG 142 1HG ARG 142 -13.688 -13.074 -3.784 1104 2HG ARG 142 2HG ARG 142 -14.361 -12.118 -2.479 1105 1HD ARG 142 1HD ARG 142 -14.618 -10.400 -3.941 1106 2HD ARG 142 2HD ARG 142 -12.873 -10.266 -4.031 1107 HE ARG 142 HE ARG 142 -13.389 -12.336 -5.774 1108 1HH1 ARG 142 2HH2 ARG 142 -14.715 -9.092 -5.452 1109 2HH1 ARG 142 1HH2 ARG 142 -15.067 -8.930 -7.140 1110 1HH2 ARG 142 2HH1 ARG 142 -13.855 -12.123 -8.001 1111 2HH2 ARG 142 1HH1 ARG 142 -14.575 -10.665 -8.600 1112 H ARG 143 H ARG 143 -9.936 -11.961 -0.403 1113 HA ARG 143 HA ARG 143 -7.964 -12.913 -0.341 1114 1HB ARG 143 1HB ARG 143 -9.109 -13.456 1.895 1115 2HB ARG 143 2HB ARG 143 -9.418 -15.066 1.273 1116 1HG ARG 143 1HG ARG 143 -6.675 -14.645 0.747 1117 2HG ARG 143 2HG ARG 143 -6.920 -13.926 2.326 1118 1HD ARG 143 1HD ARG 143 -8.307 -16.519 2.067 1119 2HD ARG 143 2HD ARG 143 -6.584 -16.665 1.789 1120 HE ARG 143 HE ARG 143 -6.638 -15.120 4.048 1121 1HH1 ARG 143 2HH2 ARG 143 -8.290 -18.112 3.212 1122 2HH1 ARG 143 1HH2 ARG 143 -8.368 -18.676 4.848 1123 1HH2 ARG 143 2HH1 ARG 143 -6.739 -15.863 6.206 1124 2HH2 ARG 143 1HH1 ARG 143 -7.479 -17.389 6.563 1125 H GLN 144 H GLN 144 -7.707 -13.552 -2.593 1126 HA GLN 144 HA GLN 144 -7.214 -14.950 -4.181 1127 1HB GLN 144 1HB GLN 144 -6.656 -16.445 -1.813 1128 2HB GLN 144 2HB GLN 144 -7.445 -17.554 -2.917 1129 1HG GLN 144 1HG GLN 144 -5.790 -16.521 -4.717 1130 2HG GLN 144 2HG GLN 144 -4.872 -16.004 -3.316 1131 1HE2 GLN 144 1HE2 GLN 144 -4.607 -17.750 -1.591 1132 2HE2 GLN 144 2HE2 GLN 144 -4.136 -19.325 -2.137 Start of MODEL 9 1 1H ASP 1 H ASP 1 -11.144 16.047 8.452 2 HA ASP 1 HA ASP 1 -8.939 17.686 7.776 3 1HB ASP 1 1HB ASP 1 -9.989 16.666 10.457 4 2HB ASP 1 2HB ASP 1 -8.704 17.848 10.304 5 H LEU 2 H LEU 2 -6.697 17.316 8.714 6 HA LEU 2 HA LEU 2 -5.852 14.654 8.244 7 1HB LEU 2 1HB LEU 2 -4.547 17.216 9.083 8 2HB LEU 2 2HB LEU 2 -3.659 15.710 9.202 9 HG LEU 2 HG LEU 2 -3.134 16.857 7.131 10 1HD1 LEU 2 1HD1 LEU 2 -3.464 15.049 5.571 11 2HD1 LEU 2 2HD1 LEU 2 -3.158 14.376 7.190 12 3HD1 LEU 2 3HD1 LEU 2 -4.814 14.407 6.537 13 1HD2 LEU 2 1HD2 LEU 2 -6.081 16.636 6.458 14 2HD2 LEU 2 2HD2 LEU 2 -5.204 18.131 6.862 15 3HD2 LEU 2 3HD2 LEU 2 -4.798 17.234 5.380 16 HA PRO 3 HA PRO 3 -6.474 13.195 12.288 17 1HB PRO 3 1HB PRO 3 -5.456 10.683 11.948 18 2HB PRO 3 2HB PRO 3 -7.098 11.117 11.517 19 1HG PRO 3 1HG PRO 3 -4.776 10.660 9.746 20 2HG PRO 3 2HG PRO 3 -6.481 10.672 9.340 21 1HD PRO 3 1HD PRO 3 -4.577 12.754 8.821 22 2HD PRO 3 2HD PRO 3 -6.303 12.813 8.521 23 HA PRO 4 HA PRO 4 -2.842 13.598 14.443 24 1HB PRO 4 1HB PRO 4 -3.215 12.081 16.685 25 2HB PRO 4 2HB PRO 4 -3.897 13.682 16.488 26 1HG PRO 4 1HG PRO 4 -5.249 11.059 16.323 27 2HG PRO 4 2HG PRO 4 -5.957 12.646 16.553 28 1HD PRO 4 1HD PRO 4 -5.931 11.114 14.128 29 2HD PRO 4 2HD PRO 4 -6.534 12.747 14.330 30 HA PRO 5 HA PRO 5 -0.243 10.442 13.247 31 1HB PRO 5 1HB PRO 5 2.154 11.551 13.947 32 2HB PRO 5 2HB PRO 5 1.336 11.910 12.440 33 1HG PRO 5 1HG PRO 5 1.570 13.582 14.867 34 2HG PRO 5 2HG PRO 5 1.142 14.066 13.237 35 1HD PRO 5 1HD PRO 5 -0.648 13.726 15.452 36 2HD PRO 5 2HD PRO 5 -1.088 14.095 13.797 37 H GLU 6 H GLU 6 0.284 8.500 14.058 38 HA GLU 6 HA GLU 6 0.535 8.535 16.954 39 1HB GLU 6 1HB GLU 6 -0.599 6.627 14.962 40 2HB GLU 6 2HB GLU 6 0.263 5.882 16.294 41 1HG GLU 6 1HG GLU 6 -1.131 7.137 17.929 42 2HG GLU 6 2HG GLU 6 -1.965 7.947 16.618 43 HA PRO 7 HA PRO 7 4.683 7.303 16.617 44 1HB PRO 7 1HB PRO 7 5.100 6.160 19.064 45 2HB PRO 7 2HB PRO 7 5.114 7.892 18.801 46 1HG PRO 7 1HG PRO 7 3.022 6.226 20.061 47 2HG PRO 7 2HG PRO 7 3.256 7.961 20.165 48 1HD PRO 7 1HD PRO 7 1.301 6.583 18.581 49 2HD PRO 7 2HD PRO 7 1.610 8.308 18.597 50 H TYR 8 H TYR 8 5.528 5.840 15.289 51 HA TYR 8 HA TYR 8 4.353 3.186 15.444 52 1HB TYR 8 1HB TYR 8 4.707 4.495 13.287 53 2HB TYR 8 2HB TYR 8 6.423 4.574 13.629 54 HD1 TYR 8 1HD TYR 8 7.016 3.524 11.508 55 HD2 TYR 8 2HD TYR 8 4.515 1.505 14.331 56 HE1 TYR 8 1HE TYR 8 7.362 1.336 10.260 57 HE2 TYR 8 2HE TYR 8 4.870 -0.676 13.074 58 HH TYR 8 HH TYR 8 7.274 -1.007 10.684 59 H VAL 9 H VAL 9 5.312 1.484 16.442 60 HA VAL 9 HA VAL 9 8.060 1.881 17.354 61 HB VAL 9 HB VAL 9 6.276 1.407 18.996 62 1HG1 VAL 9 1HG1 VAL 9 4.713 0.030 17.947 63 2HG1 VAL 9 2HG1 VAL 9 5.956 -1.077 17.319 64 3HG1 VAL 9 3HG1 VAL 9 5.547 -1.089 19.050 65 1HG2 VAL 9 1HG2 VAL 9 8.644 0.784 19.410 66 2HG2 VAL 9 2HG2 VAL 9 7.493 -0.290 20.240 67 3HG2 VAL 9 3HG2 VAL 9 8.310 -0.837 18.755 68 H GLN 10 H GLN 10 9.709 0.359 16.907 69 HA GLN 10 HA GLN 10 9.667 -0.720 14.404 70 1HB GLN 10 1HB GLN 10 11.499 -0.503 16.548 71 2HB GLN 10 2HB GLN 10 11.437 -2.217 16.189 72 1HG GLN 10 1HG GLN 10 11.730 -1.575 13.703 73 2HG GLN 10 2HG GLN 10 12.089 0.049 14.257 74 1HE2 GLN 10 1HE2 GLN 10 14.081 -0.656 13.015 75 2HE2 GLN 10 2HE2 GLN 10 15.383 -1.344 13.926 76 H THR 11 H THR 11 9.195 -2.752 13.505 77 HA THR 11 HA THR 11 8.464 -4.927 15.271 78 HB THR 11 HB THR 11 6.389 -3.482 15.059 79 HG1 THR 11 1HG THR 11 6.536 -5.951 15.130 80 1HG2 THR 11 1HG2 THR 11 6.285 -4.463 12.181 81 2HG2 THR 11 2HG2 THR 11 5.278 -3.222 12.967 82 3HG2 THR 11 3HG2 THR 11 6.974 -2.866 12.560 83 H THR 12 H THR 12 8.266 -6.977 14.158 84 HA THR 12 HA THR 12 10.002 -7.007 11.834 85 HB THR 12 HB THR 12 10.359 -8.549 13.771 86 HG1 THR 12 1HG THR 12 10.279 -10.490 12.317 87 1HG2 THR 12 1HG2 THR 12 8.778 -10.434 14.103 88 2HG2 THR 12 2HG2 THR 12 7.947 -8.892 14.419 89 3HG2 THR 12 3HG2 THR 12 7.682 -9.746 12.880 90 H LYS 13 H LYS 13 9.347 -7.053 9.782 91 HA LYS 13 HA LYS 13 6.564 -7.879 9.327 92 1HB LYS 13 1HB LYS 13 8.157 -5.576 8.339 93 2HB LYS 13 2HB LYS 13 7.149 -6.374 7.149 94 1HG LYS 13 1HG LYS 13 5.225 -5.577 8.082 95 2HG LYS 13 2HG LYS 13 5.728 -6.015 9.703 96 1HD LYS 13 1HD LYS 13 6.212 -3.851 10.160 97 2HD LYS 13 2HD LYS 13 7.391 -3.822 8.865 98 1HE LYS 13 1HE LYS 13 4.461 -3.582 8.154 99 2HE LYS 13 2HE LYS 13 5.275 -2.186 8.832 100 1HZ LYS 13 1HZ LYS 13 5.686 -3.471 6.289 101 2HZ LYS 13 2HZ LYS 13 5.799 -1.892 6.690 102 3HZ LYS 13 3HZ LYS 13 7.031 -2.910 7.025 103 H SER 14 H SER 14 6.129 -9.298 7.599 104 HA SER 14 HA SER 14 8.515 -10.340 6.297 105 1HB SER 14 1HB SER 14 6.276 -11.901 7.639 106 2HB SER 14 2HB SER 14 7.315 -12.635 6.433 107 HG SER 14 HG SER 14 9.095 -11.606 7.972 108 H TYR 15 H TYR 15 8.304 -10.473 4.075 109 HA TYR 15 HA TYR 15 5.626 -9.960 3.004 110 1HB TYR 15 1HB TYR 15 8.525 -9.751 1.988 111 2HB TYR 15 2HB TYR 15 7.153 -9.463 0.937 112 HD1 TYR 15 1HD TYR 15 6.345 -7.290 0.701 113 HD2 TYR 15 2HD TYR 15 8.576 -8.301 4.209 114 HE1 TYR 15 1HE TYR 15 6.298 -4.858 1.441 115 HE2 TYR 15 2HE TYR 15 8.522 -5.866 4.936 116 HH TYR 15 HH TYR 15 7.534 -3.374 2.821 117 HA PRO 16 HA PRO 16 5.520 -13.960 1.344 118 1HB PRO 16 1HB PRO 16 3.536 -13.655 -0.509 119 2HB PRO 16 2HB PRO 16 3.224 -13.909 1.196 120 1HG PRO 16 1HG PRO 16 3.003 -11.415 -0.377 121 2HG PRO 16 2HG PRO 16 2.306 -11.792 1.186 122 1HD PRO 16 1HD PRO 16 4.602 -10.148 0.682 123 2HD PRO 16 2HD PRO 16 3.975 -10.620 2.248 124 H SER 17 H SER 17 5.564 -11.352 -1.017 125 HA SER 17 HA SER 17 6.458 -12.925 -3.099 126 1HB SER 17 1HB SER 17 6.955 -10.858 -4.224 127 2HB SER 17 2HB SER 17 5.547 -10.560 -3.226 128 HG SER 17 HG SER 17 8.145 -9.500 -3.038 129 H LYS 18 H LYS 18 8.189 -11.174 -0.477 130 HA LYS 18 HA LYS 18 10.692 -12.333 -1.484 131 1HB LYS 18 1HB LYS 18 10.158 -9.698 -1.042 132 2HB LYS 18 2HB LYS 18 10.803 -10.156 0.521 133 1HG LYS 18 1HG LYS 18 12.922 -10.489 -0.298 134 2HG LYS 18 2HG LYS 18 12.346 -11.262 -1.760 135 1HD LYS 18 1HD LYS 18 13.154 -9.298 -2.690 136 2HD LYS 18 2HD LYS 18 11.515 -8.781 -2.353 137 1HE LYS 18 1HE LYS 18 12.699 -7.033 -1.363 138 2HE LYS 18 2HE LYS 18 12.523 -8.098 0.017 139 1HZ LYS 18 1HZ LYS 18 14.737 -9.050 -0.998 140 2HZ LYS 18 2HZ LYS 18 14.878 -7.517 -1.540 141 3HZ LYS 18 3HZ LYS 18 14.732 -7.807 0.060 142 H LEU 19 H LEU 19 9.057 -14.133 -0.254 143 HA LEU 19 HA LEU 19 9.952 -14.188 2.533 144 1HB LEU 19 1HB LEU 19 7.476 -14.644 1.355 145 2HB LEU 19 2HB LEU 19 8.077 -16.252 1.703 146 HG LEU 19 HG LEU 19 7.999 -14.053 3.779 147 1HD1 LEU 19 1HD1 LEU 19 5.825 -15.829 2.785 148 2HD1 LEU 19 2HD1 LEU 19 5.950 -15.579 4.542 149 3HD1 LEU 19 3HD1 LEU 19 5.752 -14.183 3.457 150 1HD2 LEU 19 1HD2 LEU 19 9.465 -15.697 4.533 151 2HD2 LEU 19 2HD2 LEU 19 7.916 -16.146 5.286 152 3HD2 LEU 19 3HD2 LEU 19 8.494 -17.022 3.848 153 H ALA 20 H ALA 20 11.384 -14.867 -0.202 154 HA ALA 20 HA ALA 20 12.993 -16.269 -0.794 155 1HB ALA 20 1HB ALA 20 13.341 -18.139 1.245 156 2HB ALA 20 2HB ALA 20 14.201 -16.589 1.086 157 3HB ALA 20 3HB ALA 20 12.742 -16.696 2.099 158 H ARG 21 H ARG 21 9.902 -16.824 -0.843 159 HA ARG 21 HA ARG 21 8.525 -18.438 -1.361 160 1HB ARG 21 1HB ARG 21 10.390 -18.100 -3.372 161 2HB ARG 21 2HB ARG 21 10.502 -19.831 -3.121 162 1HG ARG 21 1HG ARG 21 8.613 -20.100 -4.342 163 2HG ARG 21 2HG ARG 21 7.717 -19.251 -3.100 164 1HD ARG 21 1HD ARG 21 7.326 -17.593 -4.604 165 2HD ARG 21 2HD ARG 21 9.031 -17.197 -4.538 166 HE ARG 21 HE ARG 21 8.524 -19.446 -6.313 167 1HH1 ARG 21 2HH2 ARG 21 8.432 -15.935 -6.103 168 2HH1 ARG 21 1HH2 ARG 21 8.612 -15.700 -7.811 169 1HH2 ARG 21 2HH1 ARG 21 8.762 -19.138 -8.566 170 2HH2 ARG 21 1HH1 ARG 21 8.801 -17.535 -9.220 171 H ASN 22 H ASN 22 9.509 -19.166 1.061 172 HA ASN 22 HA ASN 22 10.049 -20.787 2.411 173 1HB ASN 22 1HB ASN 22 8.520 -22.319 0.257 174 2HB ASN 22 2HB ASN 22 9.063 -23.113 1.721 175 1HD2 ASN 22 1HD2 ASN 22 7.203 -23.482 2.735 176 2HD2 ASN 22 2HD2 ASN 22 6.074 -22.278 3.260 177 H GLU 23 H GLU 23 12.415 -20.485 1.800 178 HA GLU 23 HA GLU 23 13.593 -22.941 1.240 179 1HB GLU 23 1HB GLU 23 12.866 -21.588 -1.107 180 2HB GLU 23 2HB GLU 23 14.563 -21.193 -0.920 181 1HG GLU 23 1HG GLU 23 15.132 -23.255 -1.663 182 2HG GLU 23 2HG GLU 23 14.301 -23.981 -0.303 183 H SER 24 H SER 24 15.911 -22.881 1.631 184 HA SER 24 HA SER 24 16.907 -20.251 2.351 185 1HB SER 24 1HB SER 24 16.071 -22.088 4.270 186 2HB SER 24 2HB SER 24 17.791 -22.409 4.174 187 HG SER 24 HG SER 24 16.527 -20.342 5.403 188 H ARG 25 H ARG 25 18.309 -20.223 0.536 189 HA ARG 25 HA ARG 25 20.019 -22.517 0.205 190 1HB ARG 25 1HB ARG 25 18.864 -20.585 -1.559 191 2HB ARG 25 2HB ARG 25 20.593 -20.303 -1.615 192 1HG ARG 25 1HG ARG 25 19.889 -23.180 -1.687 193 2HG ARG 25 2HG ARG 25 19.221 -22.280 -3.033 194 1HD ARG 25 1HD ARG 25 21.256 -22.220 -4.035 195 2HD ARG 25 2HD ARG 25 21.934 -21.377 -2.657 196 HE ARG 25 HE ARG 25 22.835 -23.400 -1.876 197 1HH1 ARG 25 2HH2 ARG 25 20.444 -24.065 -4.370 198 2HH1 ARG 25 1HH2 ARG 25 20.837 -25.748 -4.478 199 1HH2 ARG 25 2HH1 ARG 25 23.354 -25.621 -2.017 200 2HH2 ARG 25 1HH1 ARG 25 22.504 -26.639 -3.130 201 H GLY 26 H GLY 26 20.310 -18.890 0.432 202 1HA GLY 26 1HA GLY 26 22.030 -17.577 1.071 203 2HA GLY 26 2HA GLY 26 22.167 -18.704 2.406 204 H SER 27 H SER 27 22.963 -18.666 -1.151 205 HA SER 27 HA SER 27 25.704 -19.062 -0.538 206 1HB SER 27 1HB SER 27 24.669 -21.395 -0.349 207 2HB SER 27 2HB SER 27 24.294 -21.294 -2.059 208 HG SER 27 HG SER 27 26.273 -22.043 -2.364 209 H GLY 28 H GLY 28 23.247 -19.688 -3.159 210 1HA GLY 28 1HA GLY 28 22.997 -18.117 -4.944 211 2HA GLY 28 2HA GLY 28 24.710 -17.758 -4.849 212 H SER 29 H SER 29 24.682 -18.247 -7.223 213 HA SER 29 HA SER 29 25.135 -19.518 -8.922 214 1HB SER 29 1HB SER 29 26.603 -21.335 -8.640 215 2HB SER 29 2HB SER 29 26.857 -20.402 -7.179 216 HG SER 29 HG SER 29 26.325 -22.161 -6.098 217 H GLY 30 H GLY 30 23.447 -20.175 -10.198 218 1HA GLY 30 1HA GLY 30 22.179 -22.675 -9.837 219 2HA GLY 30 2HA GLY 30 21.130 -21.398 -9.255 220 H SER 31 H SER 31 19.757 -22.250 -11.129 221 HA SER 31 HA SER 31 20.535 -20.771 -13.513 222 1HB SER 31 1HB SER 31 19.358 -22.611 -14.844 223 2HB SER 31 2HB SER 31 20.904 -23.045 -14.141 224 HG SER 31 HG SER 31 19.933 -24.582 -13.024 225 H LEU 32 H LEU 32 18.604 -20.141 -14.887 226 HA LEU 32 HA LEU 32 16.026 -20.365 -13.641 227 1HB LEU 32 1HB LEU 32 17.425 -18.399 -12.586 228 2HB LEU 32 2HB LEU 32 16.973 -17.561 -14.058 229 HG LEU 32 HG LEU 32 14.539 -18.430 -13.354 230 1HD1 LEU 32 1HD1 LEU 32 16.172 -18.505 -10.839 231 2HD1 LEU 32 2HD1 LEU 32 14.473 -17.976 -10.776 232 3HD1 LEU 32 3HD1 LEU 32 14.879 -19.595 -11.397 233 1HD2 LEU 32 1HD2 LEU 32 14.163 -16.243 -13.250 234 2HD2 LEU 32 2HD2 LEU 32 15.120 -16.084 -11.757 235 3HD2 LEU 32 3HD2 LEU 32 15.924 -15.998 -13.344 236 H PHE 33 H PHE 33 14.317 -19.868 -15.113 237 HA PHE 33 HA PHE 33 15.019 -18.836 -17.701 238 1HB PHE 33 1HB PHE 33 14.545 -21.742 -17.018 239 2HB PHE 33 2HB PHE 33 13.714 -21.166 -18.450 240 HD1 PHE 33 1HD PHE 33 16.505 -22.845 -17.469 241 HD2 PHE 33 2HD PHE 33 15.430 -19.558 -19.928 242 HE1 PHE 33 1HE PHE 33 18.600 -23.165 -18.813 243 HE2 PHE 33 2HE PHE 33 17.525 -19.878 -21.272 244 HZ PHE 33 HZ PHE 33 19.086 -21.677 -20.699 245 H SER 34 H SER 34 13.170 -18.153 -18.901 246 HA SER 34 HA SER 34 10.887 -17.786 -17.234 247 1HB SER 34 1HB SER 34 10.141 -16.233 -18.896 248 2HB SER 34 2HB SER 34 11.879 -16.027 -18.792 249 HG SER 34 HG SER 34 12.174 -17.040 -20.749 250 H PHE 35 H PHE 35 9.214 -19.236 -17.135 251 HA PHE 35 HA PHE 35 8.713 -20.830 -19.550 252 1HB PHE 35 1HB PHE 35 9.748 -21.910 -17.372 253 2HB PHE 35 2HB PHE 35 8.191 -21.608 -16.628 254 HD1 PHE 35 1HD PHE 35 6.173 -22.790 -17.463 255 HD2 PHE 35 2HD PHE 35 10.052 -23.711 -18.915 256 HE1 PHE 35 1HE PHE 35 5.314 -24.962 -18.381 257 HE2 PHE 35 2HE PHE 35 9.193 -25.883 -19.833 258 HZ PHE 35 HZ PHE 35 6.834 -26.483 -19.554 259 H LEU 36 H LEU 36 7.279 -19.572 -16.458 260 HA LEU 36 HA LEU 36 4.667 -19.629 -17.767 261 1HB LEU 36 1HB LEU 36 5.645 -19.765 -14.969 262 2HB LEU 36 2HB LEU 36 4.131 -18.921 -15.232 263 HG LEU 36 HG LEU 36 4.548 -21.680 -16.367 264 1HD1 LEU 36 1HD1 LEU 36 3.110 -21.905 -13.935 265 2HD1 LEU 36 2HD1 LEU 36 4.680 -22.625 -14.368 266 3HD1 LEU 36 3HD1 LEU 36 4.618 -21.031 -13.578 267 1HD2 LEU 36 1HD2 LEU 36 2.223 -21.796 -16.488 268 2HD2 LEU 36 2HD2 LEU 36 1.993 -20.480 -15.313 269 3HD2 LEU 36 3HD2 LEU 36 2.584 -20.116 -16.951 270 H GLY 37 H GLY 37 6.653 -17.430 -15.655 271 1HA GLY 37 1HA GLY 37 7.161 -15.222 -16.268 272 2HA GLY 37 2HA GLY 37 5.772 -15.187 -17.336 273 H LYS 38 H LYS 38 5.903 -13.037 -15.761 274 HA LYS 38 HA LYS 38 3.878 -13.591 -13.714 275 1HB LYS 38 1HB LYS 38 4.931 -12.142 -12.148 276 2HB LYS 38 2HB LYS 38 6.142 -13.288 -12.686 277 1HG LYS 38 1HG LYS 38 6.245 -11.076 -14.508 278 2HG LYS 38 2HG LYS 38 6.163 -10.391 -12.897 279 1HD LYS 38 1HD LYS 38 8.129 -11.597 -12.172 280 2HD LYS 38 2HD LYS 38 8.098 -12.643 -13.578 281 1HE LYS 38 1HE LYS 38 9.722 -11.142 -14.287 282 2HE LYS 38 2HE LYS 38 8.306 -10.313 -14.901 283 1HZ LYS 38 1HZ LYS 38 8.568 -9.516 -12.299 284 2HZ LYS 38 2HZ LYS 38 10.086 -9.485 -12.902 285 3HZ LYS 38 3HZ LYS 38 8.899 -8.633 -13.633 286 H LYS 39 H LYS 39 2.170 -12.139 -13.649 287 HA LYS 39 HA LYS 39 2.404 -9.751 -15.301 288 1HB LYS 39 1HB LYS 39 0.138 -10.311 -16.309 289 2HB LYS 39 2HB LYS 39 1.517 -11.199 -16.923 290 1HG LYS 39 1HG LYS 39 0.847 -13.204 -15.955 291 2HG LYS 39 2HG LYS 39 0.100 -12.420 -14.577 292 1HD LYS 39 1HD LYS 39 -1.836 -11.751 -15.915 293 2HD LYS 39 2HD LYS 39 -1.062 -12.279 -17.396 294 1HE LYS 39 1HE LYS 39 -1.128 -14.623 -16.672 295 2HE LYS 39 2HE LYS 39 -1.697 -14.165 -15.079 296 1HZ LYS 39 1HZ LYS 39 -3.656 -14.584 -16.050 297 2HZ LYS 39 2HZ LYS 39 -3.540 -13.038 -16.564 298 3HZ LYS 39 3HZ LYS 39 -3.144 -14.264 -17.567 299 H CYS 40 H CYS 40 1.492 -8.004 -14.321 300 HA CYS 40 HA CYS 40 -0.029 -8.588 -11.897 301 1HB CYS 40 1HB CYS 40 0.552 -6.279 -11.212 302 2HB CYS 40 2HB CYS 40 1.963 -7.286 -11.473 303 HG CYS 40 HG CYS 40 3.003 -5.603 -12.788 304 H VAL 41 H VAL 41 -2.111 -7.633 -11.608 305 HA VAL 41 HA VAL 41 -3.181 -6.359 -14.031 306 HB VAL 41 HB VAL 41 -3.917 -8.749 -13.113 307 1HG1 VAL 41 1HG1 VAL 41 -5.947 -6.975 -11.745 308 2HG1 VAL 41 2HG1 VAL 41 -5.737 -8.737 -11.617 309 3HG1 VAL 41 3HG1 VAL 41 -4.542 -7.644 -10.881 310 1HG2 VAL 41 1HG2 VAL 41 -6.004 -6.775 -14.076 311 2HG2 VAL 41 2HG2 VAL 41 -4.735 -7.444 -15.130 312 3HG2 VAL 41 3HG2 VAL 41 -5.926 -8.528 -14.371 313 H THR 42 H THR 42 -4.817 -4.679 -13.681 314 HA THR 42 HA THR 42 -4.228 -3.200 -11.232 315 HB THR 42 HB THR 42 -5.456 -2.506 -13.945 316 HG1 THR 42 1HG THR 42 -3.061 -2.794 -13.515 317 1HG2 THR 42 1HG2 THR 42 -4.662 -0.257 -12.236 318 2HG2 THR 42 2HG2 THR 42 -6.184 -0.497 -13.127 319 3HG2 THR 42 3HG2 THR 42 -5.991 -1.178 -11.494 320 H MET 43 H MET 43 -5.735 -2.584 -9.714 321 HA MET 43 HA MET 43 -8.246 -4.035 -9.965 322 1HB MET 43 1HB MET 43 -6.719 -2.898 -7.559 323 2HB MET 43 2HB MET 43 -8.311 -3.617 -7.419 324 1HG MET 43 1HG MET 43 -7.028 -5.606 -8.806 325 2HG MET 43 2HG MET 43 -5.669 -4.936 -7.925 326 1HE MET 43 1HE MET 43 -9.525 -5.208 -5.914 327 2HE MET 43 2HE MET 43 -9.284 -5.374 -7.669 328 3HE MET 43 3HE MET 43 -9.468 -6.825 -6.654 329 H SER 44 H SER 44 -7.070 -0.990 -8.343 330 HA SER 44 HA SER 44 -9.145 0.453 -9.703 331 1HB SER 44 1HB SER 44 -10.113 -0.516 -7.512 332 2HB SER 44 2HB SER 44 -9.026 0.567 -6.664 333 HG SER 44 HG SER 44 -10.188 2.146 -8.427 334 H SER 45 H SER 45 -8.782 2.804 -9.612 335 HA SER 45 HA SER 45 -6.193 3.482 -8.462 336 1HB SER 45 1HB SER 45 -5.931 5.049 -10.491 337 2HB SER 45 2HB SER 45 -5.699 3.336 -10.779 338 HG SER 45 HG SER 45 -7.388 4.954 -12.051 339 H ALA 46 H ALA 46 -6.444 5.102 -6.969 340 HA ALA 46 HA ALA 46 -8.523 7.100 -7.504 341 1HB ALA 46 1HB ALA 46 -8.437 6.880 -4.739 342 2HB ALA 46 2HB ALA 46 -9.689 6.186 -5.796 343 3HB ALA 46 3HB ALA 46 -8.310 5.188 -5.277 344 H VAL 47 H VAL 47 -7.986 9.228 -6.863 345 HA VAL 47 HA VAL 47 -5.208 9.753 -6.788 346 HB VAL 47 HB VAL 47 -6.604 11.282 -7.900 347 1HG1 VAL 47 1HG1 VAL 47 -8.292 11.175 -5.409 348 2HG1 VAL 47 2HG1 VAL 47 -8.376 12.585 -6.494 349 3HG1 VAL 47 3HG1 VAL 47 -8.768 10.961 -7.111 350 1HG2 VAL 47 1HG2 VAL 47 -6.360 13.414 -6.425 351 2HG2 VAL 47 2HG2 VAL 47 -5.528 12.327 -5.287 352 3HG2 VAL 47 3HG2 VAL 47 -4.896 12.540 -6.938 353 H VAL 48 H VAL 48 -3.844 9.839 -5.076 354 HA VAL 48 HA VAL 48 -4.986 10.430 -2.460 355 HB VAL 48 HB VAL 48 -4.353 8.504 -1.456 356 1HG1 VAL 48 1HG1 VAL 48 -5.137 6.657 -2.670 357 2HG1 VAL 48 2HG1 VAL 48 -5.929 8.046 -3.451 358 3HG1 VAL 48 3HG1 VAL 48 -4.513 7.285 -4.215 359 1HG2 VAL 48 1HG2 VAL 48 -2.089 8.558 -3.391 360 2HG2 VAL 48 2HG2 VAL 48 -2.096 8.263 -1.635 361 3HG2 VAL 48 3HG2 VAL 48 -2.570 6.966 -2.757 362 H GLN 49 H GLN 49 -3.261 11.040 -0.871 363 HA GLN 49 HA GLN 49 -0.941 12.064 -2.314 364 1HB GLN 49 1HB GLN 49 -2.475 13.355 -0.015 365 2HB GLN 49 2HB GLN 49 -0.963 13.970 -0.655 366 1HG GLN 49 1HG GLN 49 -2.032 14.990 -2.377 367 2HG GLN 49 2HG GLN 49 -2.795 13.488 -2.859 368 1HE2 GLN 49 1HE2 GLN 49 -2.961 15.852 -0.196 369 2HE2 GLN 49 2HE2 GLN 49 -4.688 15.968 -0.114 370 H LEU 50 H LEU 50 1.038 11.422 -1.539 371 HA LEU 50 HA LEU 50 1.061 9.656 0.718 372 1HB LEU 50 1HB LEU 50 2.407 9.659 -1.566 373 2HB LEU 50 2HB LEU 50 3.541 10.613 -0.632 374 HG LEU 50 HG LEU 50 4.054 8.178 -0.702 375 1HD1 LEU 50 1HD1 LEU 50 5.207 8.932 1.065 376 2HD1 LEU 50 2HD1 LEU 50 3.817 9.830 1.722 377 3HD1 LEU 50 3HD1 LEU 50 3.973 8.083 2.027 378 1HD2 LEU 50 1HD2 LEU 50 1.738 7.744 1.178 379 2HD2 LEU 50 2HD2 LEU 50 1.571 7.537 -0.582 380 3HD2 LEU 50 3HD2 LEU 50 2.736 6.542 0.324 381 H TYR 51 H TYR 51 1.424 10.193 2.804 382 HA TYR 51 HA TYR 51 2.852 12.706 3.309 383 1HB TYR 51 1HB TYR 51 0.132 11.647 4.184 384 2HB TYR 51 2HB TYR 51 1.031 12.607 5.342 385 HD1 TYR 51 1HD TYR 51 -0.922 12.659 2.266 386 HD2 TYR 51 2HD TYR 51 1.553 14.995 4.857 387 HE1 TYR 51 1HE TYR 51 -1.789 14.791 1.183 388 HE2 TYR 51 2HE TYR 51 0.679 17.119 3.766 389 HH TYR 51 HH TYR 51 -0.344 17.876 1.870 390 H ALA 52 H ALA 52 3.988 12.786 5.344 391 HA ALA 52 HA ALA 52 4.224 10.159 6.641 392 1HB ALA 52 1HB ALA 52 6.283 11.917 5.390 393 2HB ALA 52 2HB ALA 52 6.709 11.191 6.957 394 3HB ALA 52 3HB ALA 52 6.256 10.149 5.589 395 H ALA 53 H ALA 53 4.074 10.197 8.854 396 HA ALA 53 HA ALA 53 3.237 12.607 10.076 397 1HB ALA 53 1HB ALA 53 3.956 9.836 11.093 398 2HB ALA 53 2HB ALA 53 3.376 11.139 12.160 399 3HB ALA 53 3HB ALA 53 2.335 10.531 10.851 400 H ASP 54 H ASP 54 4.926 14.152 9.750 401 HA ASP 54 HA ASP 54 7.561 13.738 10.212 402 1HB ASP 54 1HB ASP 54 6.160 15.850 9.410 403 2HB ASP 54 2HB ASP 54 6.231 16.314 11.098 404 H ARG 55 H ARG 55 8.765 15.055 12.170 405 HA ARG 55 HA ARG 55 8.256 13.617 14.450 406 1HB ARG 55 1HB ARG 55 10.168 15.542 13.541 407 2HB ARG 55 2HB ARG 55 9.572 16.151 15.073 408 1HG ARG 55 1HG ARG 55 10.101 14.003 16.180 409 2HG ARG 55 2HG ARG 55 10.585 13.299 14.649 410 1HD ARG 55 1HD ARG 55 12.661 14.241 14.760 411 2HD ARG 55 2HD ARG 55 12.009 15.822 15.140 412 HE ARG 55 HE ARG 55 11.774 14.076 17.430 413 1HH1 ARG 55 2HH2 ARG 55 14.124 15.961 15.613 414 2HH1 ARG 55 1HH2 ARG 55 15.183 16.183 16.966 415 1HH2 ARG 55 2HH1 ARG 55 13.169 14.369 19.215 416 2HH2 ARG 55 1HH1 ARG 55 14.635 15.272 19.029 417 H ASN 56 H ASN 56 7.614 14.471 16.655 418 HA ASN 56 HA ASN 56 6.301 15.526 18.026 419 1HB ASN 56 1HB ASN 56 7.121 17.618 16.252 420 2HB ASN 56 2HB ASN 56 5.392 17.826 16.454 421 1HD2 ASN 56 1HD2 ASN 56 4.576 17.640 18.731 422 2HD2 ASN 56 2HD2 ASN 56 5.494 18.400 19.988 423 H CYS 57 H CYS 57 4.944 16.663 14.834 424 HA CYS 57 HA CYS 57 3.066 14.812 14.377 425 1HB CYS 57 1HB CYS 57 0.969 15.985 15.385 426 2HB CYS 57 2HB CYS 57 1.904 14.887 16.379 427 HG CYS 57 HG CYS 57 1.009 17.654 17.075 428 H MET 58 H MET 58 2.984 15.420 12.235 429 HA MET 58 HA MET 58 1.545 17.500 11.336 430 1HB MET 58 1HB MET 58 4.228 18.341 12.231 431 2HB MET 58 2HB MET 58 4.006 18.689 10.528 432 1HG MET 58 1HG MET 58 1.719 19.406 12.342 433 2HG MET 58 2HG MET 58 3.173 20.372 12.502 434 1HE MET 58 1HE MET 58 4.568 20.660 10.413 435 2HE MET 58 2HE MET 58 3.948 20.956 8.771 436 3HE MET 58 3HE MET 58 3.889 22.252 9.991 437 H TRP 59 H TRP 59 1.023 15.837 9.832 438 HA TRP 59 HA TRP 59 2.659 14.230 8.432 439 1HB TRP 59 1HB TRP 59 0.324 15.637 7.147 440 2HB TRP 59 2HB TRP 59 0.953 14.040 6.796 441 HD1 TRP 59 HD TRP 59 -1.352 15.846 9.254 442 HE1 TRP 59 1HE TRP 59 -2.660 14.149 10.793 443 HE3 TRP 59 3HE TRP 59 1.271 11.727 7.837 444 HZ2 TRP 59 2HZ TRP 59 -2.457 11.337 11.236 445 HZ3 TRP 59 3HZ TRP 59 0.653 9.544 8.871 446 HH2 TRP 59 HH TRP 59 -1.140 9.310 10.516 447 H SER 60 H SER 60 3.767 14.357 6.361 448 HA SER 60 HA SER 60 4.193 17.070 5.423 449 1HB SER 60 1HB SER 60 6.067 15.845 7.011 450 2HB SER 60 2HB SER 60 6.602 15.308 5.431 451 HG SER 60 HG SER 60 6.928 17.751 6.595 452 H LYS 61 H LYS 61 3.256 16.879 3.397 453 HA LYS 61 HA LYS 61 3.106 14.521 1.948 454 1HB LYS 61 1HB LYS 61 1.584 16.258 1.453 455 2HB LYS 61 2HB LYS 61 2.857 17.435 1.208 456 1HG LYS 61 1HG LYS 61 2.966 15.010 -0.549 457 2HG LYS 61 2HG LYS 61 1.625 16.100 -0.835 458 1HD LYS 61 1HD LYS 61 4.133 17.585 -0.475 459 2HD LYS 61 2HD LYS 61 4.279 16.405 -1.763 460 1HE LYS 61 1HE LYS 61 3.121 17.786 -3.138 461 2HE LYS 61 2HE LYS 61 1.715 17.615 -2.107 462 1HZ LYS 61 1HZ LYS 61 3.771 19.434 -1.207 463 2HZ LYS 61 2HZ LYS 61 2.889 19.905 -2.498 464 3HZ LYS 61 3HZ LYS 61 2.147 19.556 -1.085 465 H LYS 62 H LYS 62 4.415 13.492 0.469 466 HA LYS 62 HA LYS 62 7.088 14.664 0.190 467 1HB LYS 62 1HB LYS 62 6.061 11.872 0.464 468 2HB LYS 62 2HB LYS 62 7.479 12.121 -0.534 469 1HG LYS 62 1HG LYS 62 7.403 13.478 2.159 470 2HG LYS 62 2HG LYS 62 7.666 11.746 2.125 471 1HD LYS 62 1HD LYS 62 9.514 12.223 0.358 472 2HD LYS 62 2HD LYS 62 9.361 13.909 0.812 473 1HE LYS 62 1HE LYS 62 9.877 13.336 3.182 474 2HE LYS 62 2HE LYS 62 9.979 11.637 2.764 475 1HZ LYS 62 1HZ LYS 62 12.028 11.942 2.056 476 2HZ LYS 62 2HZ LYS 62 11.613 13.174 1.069 477 3HZ LYS 62 3HZ LYS 62 11.989 13.471 2.630 478 H CYS 63 H CYS 63 4.299 13.205 -1.536 479 HA CYS 63 HA CYS 63 4.582 14.754 -3.764 480 1HB CYS 63 1HB CYS 63 6.575 12.683 -3.764 481 2HB CYS 63 2HB CYS 63 5.423 12.348 -5.041 482 HG CYS 63 HG CYS 63 6.422 15.425 -4.485 483 H SER 64 H SER 64 2.345 14.738 -3.924 484 HA SER 64 HA SER 64 0.953 12.268 -3.562 485 1HB SER 64 1HB SER 64 -1.026 13.928 -4.254 486 2HB SER 64 2HB SER 64 -0.324 13.962 -2.649 487 HG SER 64 HG SER 64 0.114 16.014 -3.050 488 H GLY 65 H GLY 65 -1.073 12.096 -5.304 489 1HA GLY 65 1HA GLY 65 -0.919 12.811 -7.906 490 2HA GLY 65 2HA GLY 65 0.235 11.495 -7.808 491 H VAL 66 H VAL 66 -0.973 9.994 -9.038 492 HA VAL 66 HA VAL 66 -3.584 9.274 -7.914 493 HB VAL 66 HB VAL 66 -2.450 8.492 -10.597 494 1HG1 VAL 66 1HG1 VAL 66 -4.525 7.382 -9.393 495 2HG1 VAL 66 2HG1 VAL 66 -5.366 8.836 -9.985 496 3HG1 VAL 66 3HG1 VAL 66 -4.561 7.742 -11.136 497 1HG2 VAL 66 1HG2 VAL 66 -2.425 10.805 -10.831 498 2HG2 VAL 66 2HG2 VAL 66 -4.056 10.385 -11.402 499 3HG2 VAL 66 3HG2 VAL 66 -3.828 11.035 -9.760 500 H ALA 67 H ALA 67 -3.906 7.274 -7.009 501 HA ALA 67 HA ALA 67 -1.544 5.531 -6.970 502 1HB ALA 67 1HB ALA 67 -2.602 6.602 -4.834 503 2HB ALA 67 2HB ALA 67 -3.876 5.380 -5.054 504 3HB ALA 67 3HB ALA 67 -2.189 4.871 -4.812 505 H CYS 68 H CYS 68 -1.944 3.173 -7.055 506 HA CYS 68 HA CYS 68 -4.519 2.442 -8.169 507 1HB CYS 68 1HB CYS 68 -3.547 2.795 -10.240 508 2HB CYS 68 2HB CYS 68 -1.937 2.372 -9.694 509 HG CYS 68 HG CYS 68 -4.544 0.337 -9.907 510 H LEU 69 H LEU 69 -5.089 0.339 -7.519 511 HA LEU 69 HA LEU 69 -3.165 -0.949 -5.751 512 1HB LEU 69 1HB LEU 69 -5.542 -0.334 -5.083 513 2HB LEU 69 2HB LEU 69 -6.075 -1.629 -6.136 514 HG LEU 69 HG LEU 69 -4.015 -2.297 -4.081 515 1HD1 LEU 69 1HD1 LEU 69 -6.584 -1.099 -3.416 516 2HD1 LEU 69 2HD1 LEU 69 -6.409 -2.738 -2.744 517 3HD1 LEU 69 3HD1 LEU 69 -5.194 -1.490 -2.375 518 1HD2 LEU 69 1HD2 LEU 69 -6.303 -4.057 -4.298 519 2HD2 LEU 69 2HD2 LEU 69 -5.606 -3.713 -5.899 520 3HD2 LEU 69 3HD2 LEU 69 -4.580 -4.380 -4.605 521 H VAL 70 H VAL 70 -1.838 -2.431 -6.643 522 HA VAL 70 HA VAL 70 -2.828 -3.881 -8.981 523 HB VAL 70 HB VAL 70 -0.057 -3.472 -7.841 524 1HG1 VAL 70 1HG1 VAL 70 0.474 -5.371 -8.913 525 2HG1 VAL 70 2HG1 VAL 70 -1.088 -5.431 -9.764 526 3HG1 VAL 70 3HG1 VAL 70 0.242 -4.444 -10.415 527 1HG2 VAL 70 1HG2 VAL 70 -0.555 -2.568 -10.572 528 2HG2 VAL 70 2HG2 VAL 70 -1.620 -1.767 -9.391 529 3HG2 VAL 70 3HG2 VAL 70 0.147 -1.697 -9.188 530 H LYS 71 H LYS 71 -2.888 -6.158 -9.044 531 HA LYS 71 HA LYS 71 -2.202 -7.525 -6.560 532 1HB LYS 71 1HB LYS 71 -4.509 -7.056 -6.202 533 2HB LYS 71 2HB LYS 71 -4.938 -7.487 -7.846 534 1HG LYS 71 1HG LYS 71 -3.537 -9.637 -6.325 535 2HG LYS 71 2HG LYS 71 -5.108 -9.198 -5.685 536 1HD LYS 71 1HD LYS 71 -6.224 -9.726 -7.746 537 2HD LYS 71 2HD LYS 71 -4.727 -9.734 -8.655 538 1HE LYS 71 1HE LYS 71 -4.835 -12.007 -8.380 539 2HE LYS 71 2HE LYS 71 -4.162 -11.677 -6.796 540 1HZ LYS 71 1HZ LYS 71 -6.002 -12.520 -5.970 541 2HZ LYS 71 2HZ LYS 71 -6.867 -11.277 -6.583 542 3HZ LYS 71 3HZ LYS 71 -6.701 -12.658 -7.439 543 H ASP 72 H ASP 72 -0.713 -8.996 -7.171 544 HA ASP 72 HA ASP 72 -0.598 -9.849 -9.858 545 1HB ASP 72 1HB ASP 72 1.003 -10.081 -7.402 546 2HB ASP 72 2HB ASP 72 0.986 -11.591 -8.291 547 H ASN 73 H ASN 73 -1.650 -11.652 -10.728 548 HA ASN 73 HA ASN 73 -3.284 -13.190 -8.998 549 1HB ASN 73 1HB ASN 73 -2.771 -14.042 -11.846 550 2HB ASN 73 2HB ASN 73 -4.289 -13.977 -10.973 551 1HD2 ASN 73 1HD2 ASN 73 -5.376 -12.019 -10.710 552 2HD2 ASN 73 2HD2 ASN 73 -5.087 -10.644 -11.724 553 HA PRO 74 HA PRO 74 -0.017 -16.396 -10.410 554 1HB PRO 74 1HB PRO 74 2.301 -15.509 -11.553 555 2HB PRO 74 2HB PRO 74 0.926 -16.068 -12.484 556 1HG PRO 74 1HG PRO 74 1.861 -13.300 -12.040 557 2HG PRO 74 2HG PRO 74 0.780 -13.908 -13.278 558 1HD PRO 74 1HD PRO 74 0.043 -12.453 -10.919 559 2HD PRO 74 2HD PRO 74 -1.045 -13.161 -12.097 560 H GLN 75 H GLN 75 1.464 -13.376 -9.392 561 HA GLN 75 HA GLN 75 3.255 -14.768 -7.692 562 1HB GLN 75 1HB GLN 75 2.874 -12.061 -8.653 563 2HB GLN 75 2HB GLN 75 3.049 -12.022 -6.910 564 1HG GLN 75 1HG GLN 75 4.957 -13.565 -8.725 565 2HG GLN 75 2HG GLN 75 5.231 -11.897 -8.261 566 1HE2 GLN 75 1HE2 GLN 75 5.784 -11.363 -6.182 567 2HE2 GLN 75 2HE2 GLN 75 6.278 -12.516 -4.988 568 H ARG 76 H ARG 76 -0.063 -13.903 -7.528 569 HA ARG 76 HA ARG 76 -1.541 -13.809 -5.950 570 1HB ARG 76 1HB ARG 76 -0.049 -16.122 -5.506 571 2HB ARG 76 2HB ARG 76 -0.042 -15.384 -3.917 572 1HG ARG 76 1HG ARG 76 -2.082 -16.377 -3.656 573 2HG ARG 76 2HG ARG 76 -2.690 -15.051 -4.628 574 1HD ARG 76 1HD ARG 76 -1.651 -16.980 -6.472 575 2HD ARG 76 2HD ARG 76 -2.572 -17.884 -5.287 576 HE ARG 76 HE ARG 76 -3.664 -16.169 -7.314 577 1HH1 ARG 76 2HH2 ARG 76 -4.146 -17.048 -3.941 578 2HH1 ARG 76 1HH2 ARG 76 -5.839 -16.684 -3.955 579 1HH2 ARG 76 2HH1 ARG 76 -5.898 -15.688 -7.333 580 2HH2 ARG 76 1HH1 ARG 76 -6.843 -15.905 -5.898 581 H SER 77 H SER 77 0.326 -11.631 -5.916 582 HA SER 77 HA SER 77 0.211 -11.002 -3.082 583 1HB SER 77 1HB SER 77 2.577 -11.665 -3.880 584 2HB SER 77 2HB SER 77 2.565 -10.195 -4.835 585 HG SER 77 HG SER 77 3.505 -9.600 -2.904 586 H TYR 78 H TYR 78 0.082 -8.637 -2.659 587 HA TYR 78 HA TYR 78 -1.017 -7.232 -4.995 588 1HB TYR 78 1HB TYR 78 -1.317 -6.832 -1.953 589 2HB TYR 78 2HB TYR 78 -2.223 -5.953 -3.169 590 HD1 TYR 78 1HD TYR 78 -1.606 -9.440 -1.948 591 HD2 TYR 78 2HD TYR 78 -4.322 -6.734 -3.845 592 HE1 TYR 78 1HE TYR 78 -3.428 -11.211 -1.881 593 HE2 TYR 78 2HE TYR 78 -6.136 -8.514 -3.772 594 HH TYR 78 HH TYR 78 -5.585 -11.631 -3.401 595 H PHE 79 H PHE 79 -0.586 -4.911 -5.185 596 HA PHE 79 HA PHE 79 1.666 -3.955 -3.616 597 1HB PHE 79 1HB PHE 79 1.481 -4.075 -6.687 598 2HB PHE 79 2HB PHE 79 2.772 -3.276 -5.811 599 HD1 PHE 79 1HD PHE 79 1.421 -6.475 -6.896 600 HD2 PHE 79 2HD PHE 79 4.452 -4.594 -4.597 601 HE1 PHE 79 1HE PHE 79 2.722 -8.621 -6.856 602 HE2 PHE 79 2HE PHE 79 5.753 -6.741 -4.557 603 HZ PHE 79 HZ PHE 79 4.872 -8.729 -5.687 604 H LEU 80 H LEU 80 1.369 -1.844 -3.044 605 HA LEU 80 HA LEU 80 -0.596 -0.341 -4.631 606 1HB LEU 80 1HB LEU 80 -1.306 -1.055 -2.332 607 2HB LEU 80 2HB LEU 80 -0.028 -0.048 -1.681 608 HG LEU 80 HG LEU 80 -1.070 1.948 -2.367 609 1HD1 LEU 80 1HD1 LEU 80 -3.159 1.929 -3.797 610 2HD1 LEU 80 2HD1 LEU 80 -1.636 1.520 -4.624 611 3HD1 LEU 80 3HD1 LEU 80 -2.779 0.231 -4.175 612 1HD2 LEU 80 1HD2 LEU 80 -2.128 0.975 -0.420 613 2HD2 LEU 80 2HD2 LEU 80 -3.345 1.812 -1.414 614 3HD2 LEU 80 3HD2 LEU 80 -3.234 0.035 -1.450 615 H ARG 81 H ARG 81 0.334 1.231 -5.816 616 HA ARG 81 HA ARG 81 2.570 2.604 -4.571 617 1HB ARG 81 1HB ARG 81 2.440 1.951 -7.554 618 2HB ARG 81 2HB ARG 81 3.794 2.651 -6.688 619 1HG ARG 81 1HG ARG 81 4.474 0.622 -5.821 620 2HG ARG 81 2HG ARG 81 2.834 0.039 -5.606 621 1HD ARG 81 1HD ARG 81 3.403 -1.319 -7.386 622 2HD ARG 81 2HD ARG 81 2.889 0.070 -8.321 623 HE ARG 81 HE ARG 81 5.677 0.327 -7.591 624 1HH1 ARG 81 2HH2 ARG 81 3.528 -1.363 -9.807 625 2HH1 ARG 81 1HH2 ARG 81 4.747 -1.589 -11.017 626 1HH2 ARG 81 2HH1 ARG 81 7.285 0.028 -9.188 627 2HH2 ARG 81 1HH1 ARG 81 6.898 -0.792 -10.663 628 H ILE 82 H ILE 82 2.861 4.864 -5.383 629 HA ILE 82 HA ILE 82 0.379 5.882 -6.584 630 HB ILE 82 HB ILE 82 2.084 6.916 -4.344 631 1HG1 ILE 82 1HG1 ILE 82 -0.817 7.234 -4.207 632 2HG1 ILE 82 2HG1 ILE 82 -0.350 5.564 -4.464 633 1HG2 ILE 82 1HG2 ILE 82 1.924 8.746 -5.970 634 2HG2 ILE 82 2HG2 ILE 82 0.152 8.578 -5.985 635 3HG2 ILE 82 3HG2 ILE 82 0.986 9.084 -4.496 636 1HD1 ILE 82 1HD1 ILE 82 0.126 5.432 -2.255 637 2HD1 ILE 82 2HD1 ILE 82 1.489 6.541 -2.540 638 3HD1 ILE 82 3HD1 ILE 82 -0.098 7.186 -2.057 639 H PHE 83 H PHE 83 0.547 7.289 -8.321 640 HA PHE 83 HA PHE 83 3.300 7.774 -9.225 641 1HB PHE 83 1HB PHE 83 1.662 7.927 -11.464 642 2HB PHE 83 2HB PHE 83 2.489 6.461 -10.976 643 HD1 PHE 83 1HD PHE 83 1.144 5.079 -9.096 644 HD2 PHE 83 2HD PHE 83 -0.592 7.759 -11.891 645 HE1 PHE 83 1HE PHE 83 -1.066 3.917 -8.838 646 HE2 PHE 83 2HE PHE 83 -2.802 6.596 -11.634 647 HZ PHE 83 HZ PHE 83 -3.012 4.689 -10.110 648 H ASP 84 H ASP 84 3.699 9.790 -10.364 649 HA ASP 84 HA ASP 84 2.250 11.909 -9.212 650 1HB ASP 84 1HB ASP 84 4.734 11.865 -9.863 651 2HB ASP 84 2HB ASP 84 4.228 12.026 -11.534 652 H ILE 85 H ILE 85 1.330 13.757 -10.658 653 HA ILE 85 HA ILE 85 -0.023 12.561 -12.974 654 HB ILE 85 HB ILE 85 -1.535 13.041 -11.149 655 1HG1 ILE 85 1HG1 ILE 85 -1.993 15.167 -13.243 656 2HG1 ILE 85 2HG1 ILE 85 -2.102 13.461 -13.629 657 1HG2 ILE 85 1HG2 ILE 85 -1.917 15.465 -10.507 658 2HG2 ILE 85 2HG2 ILE 85 -0.431 14.705 -9.885 659 3HG2 ILE 85 3HG2 ILE 85 -0.349 15.818 -11.272 660 1HD1 ILE 85 1HD1 ILE 85 -3.795 15.056 -11.678 661 2HD1 ILE 85 2HD1 ILE 85 -4.327 14.061 -13.054 662 3HD1 ILE 85 3HD1 ILE 85 -3.704 13.281 -11.580 663 H LYS 86 H LYS 86 2.535 14.493 -12.124 664 HA LYS 86 HA LYS 86 2.085 16.285 -14.406 665 1HB LYS 86 1HB LYS 86 2.806 16.865 -11.741 666 2HB LYS 86 2HB LYS 86 4.269 17.079 -12.681 667 1HG LYS 86 1HG LYS 86 1.673 18.215 -13.744 668 2HG LYS 86 2HG LYS 86 2.496 19.060 -12.448 669 1HD LYS 86 1HD LYS 86 4.282 19.681 -13.787 670 2HD LYS 86 2HD LYS 86 4.234 18.204 -14.728 671 1HE LYS 86 1HE LYS 86 3.202 19.377 -16.375 672 2HE LYS 86 2HE LYS 86 1.789 19.472 -15.342 673 1HZ LYS 86 1HZ LYS 86 3.407 21.540 -16.136 674 2HZ LYS 86 2HZ LYS 86 2.157 21.612 -15.088 675 3HZ LYS 86 3HZ LYS 86 3.675 21.373 -14.535 676 H ASP 87 H ASP 87 4.399 14.100 -12.720 677 HA ASP 87 HA ASP 87 6.049 14.208 -15.104 678 1HB ASP 87 1HB ASP 87 6.497 13.650 -12.216 679 2HB ASP 87 2HB ASP 87 7.361 12.562 -13.286 680 H GLY 88 H GLY 88 3.596 12.393 -13.510 681 1HA GLY 88 1HA GLY 88 2.747 10.326 -13.757 682 2HA GLY 88 2HA GLY 88 3.388 10.388 -15.387 683 H LYS 89 H LYS 89 5.159 10.396 -12.224 684 HA LYS 89 HA LYS 89 6.353 7.841 -13.050 685 1HB LYS 89 1HB LYS 89 8.476 8.570 -12.174 686 2HB LYS 89 2HB LYS 89 7.917 9.728 -13.364 687 1HG LYS 89 1HG LYS 89 8.071 11.380 -11.824 688 2HG LYS 89 2HG LYS 89 6.844 10.588 -10.856 689 1HD LYS 89 1HD LYS 89 8.579 10.562 -9.318 690 2HD LYS 89 2HD LYS 89 8.902 9.034 -10.113 691 1HE LYS 89 1HE LYS 89 10.143 11.350 -11.491 692 2HE LYS 89 2HE LYS 89 10.718 11.134 -9.851 693 1HZ LYS 89 1HZ LYS 89 12.042 9.661 -10.849 694 2HZ LYS 89 2HZ LYS 89 10.771 8.646 -10.724 695 3HZ LYS 89 3HZ LYS 89 11.059 9.424 -12.130 696 H LEU 90 H LEU 90 7.470 6.794 -10.985 697 HA LEU 90 HA LEU 90 5.339 6.378 -9.154 698 1HB LEU 90 1HB LEU 90 7.679 5.042 -9.999 699 2HB LEU 90 2HB LEU 90 7.847 5.290 -8.273 700 HG LEU 90 HG LEU 90 5.224 4.376 -8.565 701 1HD1 LEU 90 1HD1 LEU 90 6.445 3.707 -10.941 702 2HD1 LEU 90 2HD1 LEU 90 6.660 2.237 -9.958 703 3HD1 LEU 90 3HD1 LEU 90 5.029 2.898 -10.227 704 1HD2 LEU 90 1HD2 LEU 90 6.111 3.423 -6.750 705 2HD2 LEU 90 2HD2 LEU 90 6.661 2.138 -7.853 706 3HD2 LEU 90 3HD2 LEU 90 7.762 3.467 -7.417 707 H LEU 91 H LEU 91 4.924 7.352 -7.232 708 HA LEU 91 HA LEU 91 7.008 9.173 -6.248 709 1HB LEU 91 1HB LEU 91 3.999 9.367 -6.154 710 2HB LEU 91 2HB LEU 91 5.059 10.382 -5.197 711 HG LEU 91 HG LEU 91 5.018 10.252 -8.225 712 1HD1 LEU 91 1HD1 LEU 91 2.998 11.282 -7.475 713 2HD1 LEU 91 2HD1 LEU 91 3.876 12.280 -6.290 714 3HD1 LEU 91 3HD1 LEU 91 4.092 12.571 -8.033 715 1HD2 LEU 91 1HD2 LEU 91 6.308 12.582 -7.468 716 2HD2 LEU 91 2HD2 LEU 91 6.939 11.365 -6.332 717 3HD2 LEU 91 3HD2 LEU 91 7.074 11.100 -8.088 718 H TRP 92 H TRP 92 5.217 6.280 -5.701 719 HA TRP 92 HA TRP 92 6.498 5.929 -3.177 720 1HB TRP 92 1HB TRP 92 4.619 7.329 -2.466 721 2HB TRP 92 2HB TRP 92 3.487 6.214 -3.208 722 HD1 TRP 92 HD TRP 92 6.229 6.030 -0.418 723 HE1 TRP 92 1HE TRP 92 5.476 4.383 1.503 724 HE3 TRP 92 3HE TRP 92 1.890 4.583 -2.640 725 HZ2 TRP 92 2HZ TRP 92 3.201 2.699 1.868 726 HZ3 TRP 92 3HZ TRP 92 0.461 2.934 -1.434 727 HH2 TRP 92 HH TRP 92 1.055 1.999 0.744 728 H GLU 93 H GLU 93 6.438 3.670 -2.576 729 HA GLU 93 HA GLU 93 4.922 1.961 -4.342 730 1HB GLU 93 1HB GLU 93 7.064 2.168 -5.505 731 2HB GLU 93 2HB GLU 93 7.950 1.824 -4.033 732 1HG GLU 93 1HG GLU 93 6.393 -0.399 -4.093 733 2HG GLU 93 2HG GLU 93 6.412 -0.051 -5.809 734 H GLN 94 H GLN 94 3.978 0.328 -3.178 735 HA GLN 94 HA GLN 94 5.278 -0.353 -0.659 736 1HB GLN 94 1HB GLN 94 3.311 1.057 -0.191 737 2HB GLN 94 2HB GLN 94 2.292 0.014 -1.162 738 1HG GLN 94 1HG GLN 94 2.216 -0.370 1.383 739 2HG GLN 94 2HG GLN 94 2.445 -1.796 0.391 740 1HE2 GLN 94 1HE2 GLN 94 3.694 -3.123 1.472 741 2HE2 GLN 94 2HE2 GLN 94 5.213 -2.752 2.218 742 H GLU 95 H GLU 95 5.445 -2.557 -0.210 743 HA GLU 95 HA GLU 95 4.386 -4.270 -2.310 744 1HB GLU 95 1HB GLU 95 6.796 -4.466 -0.483 745 2HB GLU 95 2HB GLU 95 6.143 -5.912 -1.229 746 1HG GLU 95 1HG GLU 95 6.398 -4.896 -3.483 747 2HG GLU 95 2HG GLU 95 6.980 -3.407 -2.765 748 H LEU 96 H LEU 96 2.229 -4.239 -1.262 749 HA LEU 96 HA LEU 96 1.554 -4.787 1.250 750 1HB LEU 96 1HB LEU 96 0.335 -6.041 -1.213 751 2HB LEU 96 2HB LEU 96 -0.430 -5.945 0.361 752 HG LEU 96 HG LEU 96 0.438 -3.497 -1.192 753 1HD1 LEU 96 1HD1 LEU 96 -1.114 -4.384 -2.663 754 2HD1 LEU 96 2HD1 LEU 96 -2.096 -5.103 -1.364 755 3HD1 LEU 96 3HD1 LEU 96 -2.119 -3.342 -1.628 756 1HD2 LEU 96 1HD2 LEU 96 -1.163 -2.338 0.278 757 2HD2 LEU 96 2HD2 LEU 96 -1.463 -3.866 1.140 758 3HD2 LEU 96 3HD2 LEU 96 0.152 -3.119 1.188 759 H TYR 97 H TYR 97 1.598 -6.452 2.730 760 HA TYR 97 HA TYR 97 2.792 -8.964 1.768 761 1HB TYR 97 1HB TYR 97 3.583 -8.823 4.360 762 2HB TYR 97 2HB TYR 97 4.504 -8.006 3.111 763 HD1 TYR 97 1HD TYR 97 2.219 -7.564 5.949 764 HD2 TYR 97 2HD TYR 97 4.418 -5.562 2.873 765 HE1 TYR 97 1HE TYR 97 1.886 -5.346 7.146 766 HE2 TYR 97 2HE TYR 97 4.077 -3.351 4.081 767 HH TYR 97 HH TYR 97 3.072 -2.328 5.709 768 H ASN 98 H ASN 98 2.299 -10.867 3.198 769 HA ASN 98 HA ASN 98 -0.365 -11.216 3.463 770 1HB ASN 98 1HB ASN 98 2.016 -12.687 4.052 771 2HB ASN 98 2HB ASN 98 1.058 -12.750 5.517 772 1HD2 ASN 98 1HD2 ASN 98 1.057 -13.344 2.048 773 2HD2 ASN 98 2HD2 ASN 98 -0.198 -14.537 2.012 774 H ASN 99 H ASN 99 -1.843 -11.176 5.313 775 HA ASN 99 HA ASN 99 -2.670 -10.504 7.205 776 1HB ASN 99 1HB ASN 99 -0.144 -11.387 7.981 777 2HB ASN 99 2HB ASN 99 -0.132 -9.742 8.582 778 1HD2 ASN 99 1HD2 ASN 99 -2.283 -9.072 9.640 779 2HD2 ASN 99 2HD2 ASN 99 -2.951 -10.177 10.795 780 H PHE 100 H PHE 100 -2.740 -8.606 5.303 781 HA PHE 100 HA PHE 100 -1.505 -6.195 6.403 782 1HB PHE 100 1HB PHE 100 -1.198 -6.906 3.963 783 2HB PHE 100 2HB PHE 100 -2.935 -6.818 3.748 784 HD1 PHE 100 1HD PHE 100 0.151 -4.949 3.883 785 HD2 PHE 100 2HD PHE 100 -4.078 -4.601 3.883 786 HE1 PHE 100 1HE PHE 100 0.350 -2.523 3.266 787 HE2 PHE 100 2HE PHE 100 -3.879 -2.176 3.266 788 HZ PHE 100 HZ PHE 100 -1.667 -1.167 2.965 789 H VAL 101 H VAL 101 -2.726 -4.461 7.138 790 HA VAL 101 HA VAL 101 -5.638 -4.785 6.935 791 HB VAL 101 HB VAL 101 -4.870 -5.439 9.150 792 1HG1 VAL 101 1HG1 VAL 101 -3.484 -4.217 10.519 793 2HG1 VAL 101 2HG1 VAL 101 -2.822 -3.776 8.927 794 3HG1 VAL 101 3HG1 VAL 101 -3.927 -2.664 9.769 795 1HG2 VAL 101 1HG2 VAL 101 -6.609 -4.435 10.188 796 2HG2 VAL 101 2HG2 VAL 101 -6.035 -2.796 9.798 797 3HG2 VAL 101 3HG2 VAL 101 -6.922 -3.743 8.579 798 H TYR 102 H TYR 102 -6.851 -2.773 6.886 799 HA TYR 102 HA TYR 102 -5.160 -0.487 6.126 800 1HB TYR 102 1HB TYR 102 -6.764 -1.959 4.477 801 2HB TYR 102 2HB TYR 102 -8.022 -0.974 5.196 802 HD1 TYR 102 1HD TYR 102 -4.538 0.056 4.316 803 HD2 TYR 102 2HD TYR 102 -8.706 0.399 3.411 804 HE1 TYR 102 1HE TYR 102 -4.033 1.917 2.659 805 HE2 TYR 102 2HE TYR 102 -8.186 2.259 1.759 806 HH TYR 102 HH TYR 102 -6.553 3.221 0.591 807 H ASN 103 H ASN 103 -5.277 1.079 7.655 808 HA ASN 103 HA ASN 103 -7.554 1.128 9.380 809 1HB ASN 103 1HB ASN 103 -4.832 2.371 9.287 810 2HB ASN 103 2HB ASN 103 -6.062 3.367 10.040 811 1HD2 ASN 103 1HD2 ASN 103 -3.942 2.433 11.469 812 2HD2 ASN 103 2HD2 ASN 103 -4.443 1.255 12.636 813 H SER 104 H SER 104 -8.722 3.291 9.769 814 HA SER 104 HA SER 104 -8.448 5.338 7.875 815 1HB SER 104 1HB SER 104 -10.717 5.075 6.805 816 2HB SER 104 2HB SER 104 -9.559 3.851 6.325 817 HG SER 104 HG SER 104 -11.570 3.522 8.388 818 HA PRO 105 HA PRO 105 -10.588 6.224 11.799 819 1HB PRO 105 1HB PRO 105 -8.796 8.020 12.811 820 2HB PRO 105 2HB PRO 105 -8.774 6.315 13.213 821 1HG PRO 105 1HG PRO 105 -6.971 7.819 11.416 822 2HG PRO 105 2HG PRO 105 -6.725 6.249 12.155 823 1HD PRO 105 1HD PRO 105 -7.443 6.768 9.427 824 2HD PRO 105 2HD PRO 105 -7.311 5.199 10.196 825 H ARG 106 H ARG 106 -9.509 7.968 9.122 826 HA ARG 106 HA ARG 106 -11.162 10.204 9.948 827 1HB ARG 106 1HB ARG 106 -8.638 10.131 8.752 828 2HB ARG 106 2HB ARG 106 -9.684 10.435 7.379 829 1HG ARG 106 1HG ARG 106 -9.394 12.624 8.072 830 2HG ARG 106 2HG ARG 106 -10.785 12.227 9.061 831 1HD ARG 106 1HD ARG 106 -8.958 11.399 10.811 832 2HD ARG 106 2HD ARG 106 -7.875 12.417 9.885 833 HE ARG 106 HE ARG 106 -8.982 14.327 10.699 834 1HH1 ARG 106 2HH2 ARG 106 -10.883 11.453 11.417 835 2HH1 ARG 106 1HH2 ARG 106 -11.991 12.290 12.454 836 1HH2 ARG 106 2HH1 ARG 106 -10.443 15.430 12.066 837 2HH2 ARG 106 1HH1 ARG 106 -11.739 14.567 12.825 838 H GLY 107 H GLY 107 -11.937 11.288 7.502 839 1HA GLY 107 1HA GLY 107 -13.978 9.432 6.667 840 2HA GLY 107 2HA GLY 107 -13.760 11.094 6.154 841 H TYR 108 H TYR 108 -11.083 11.055 5.201 842 HA TYR 108 HA TYR 108 -11.056 8.934 3.191 843 1HB TYR 108 1HB TYR 108 -10.593 10.828 1.509 844 2HB TYR 108 2HB TYR 108 -12.219 10.861 2.158 845 HD1 TYR 108 1HD TYR 108 -12.561 12.383 4.297 846 HD2 TYR 108 2HD TYR 108 -9.316 12.779 1.538 847 HE1 TYR 108 1HE TYR 108 -12.203 14.784 5.051 848 HE2 TYR 108 2HE TYR 108 -8.969 15.179 2.301 849 HH TYR 108 HH TYR 108 -11.266 16.820 4.185 850 H PHE 109 H PHE 109 -9.449 9.153 5.539 851 HA PHE 109 HA PHE 109 -6.872 9.586 4.248 852 1HB PHE 109 1HB PHE 109 -7.690 11.592 5.697 853 2HB PHE 109 2HB PHE 109 -7.650 10.510 7.076 854 HD1 PHE 109 1HD PHE 109 -5.673 12.506 4.780 855 HD2 PHE 109 2HD PHE 109 -5.489 9.646 7.909 856 HE1 PHE 109 1HE PHE 109 -3.247 13.048 5.134 857 HE2 PHE 109 2HE PHE 109 -3.064 10.187 8.263 858 HZ PHE 109 HZ PHE 109 -1.972 11.882 6.872 859 H HIS 110 H HIS 110 -6.148 7.486 4.224 860 HA HIS 110 HA HIS 110 -6.562 5.925 6.652 861 1HB HIS 110 1HB HIS 110 -5.589 4.988 3.942 862 2HB HIS 110 2HB HIS 110 -6.066 3.984 5.296 863 HD2 HIS 110 2HD HIS 110 -8.859 6.204 5.600 864 HE1 HIS 110 1HE HIS 110 -9.977 3.929 2.182 865 HE2 HIS 110 2HE HIS 110 -10.778 5.491 4.083 866 H THR 111 H THR 111 -4.696 4.574 7.433 867 HA THR 111 HA THR 111 -2.148 5.970 6.937 868 HB THR 111 HB THR 111 -1.773 5.235 9.443 869 HG1 THR 111 1HG THR 111 -4.687 5.390 9.189 870 1HG2 THR 111 1HG2 THR 111 -3.046 7.572 8.294 871 2HG2 THR 111 2HG2 THR 111 -3.885 7.157 9.808 872 3HG2 THR 111 3HG2 THR 111 -2.131 7.458 9.817 873 H PHE 112 H PHE 112 -0.202 4.681 7.161 874 HA PHE 112 HA PHE 112 -0.693 1.809 6.997 875 1HB PHE 112 1HB PHE 112 -0.562 2.528 4.671 876 2HB PHE 112 2HB PHE 112 0.685 3.707 5.030 877 HD1 PHE 112 1HD PHE 112 0.072 0.039 4.933 878 HD2 PHE 112 2HD PHE 112 2.930 3.167 4.709 879 HE1 PHE 112 1HE PHE 112 1.833 -1.618 4.259 880 HE2 PHE 112 2HE PHE 112 4.691 1.511 4.035 881 HZ PHE 112 HZ PHE 112 4.121 -0.863 3.818 882 H ALA 113 H ALA 113 1.547 0.610 6.978 883 HA ALA 113 HA ALA 113 3.384 2.097 8.725 884 1HB ALA 113 1HB ALA 113 1.944 0.393 9.914 885 2HB ALA 113 2HB ALA 113 2.709 -0.862 8.910 886 3HB ALA 113 3HB ALA 113 3.695 0.098 10.039 887 H GLY 114 H GLY 114 5.323 2.376 7.751 888 1HA GLY 114 1HA GLY 114 5.998 0.732 5.448 889 2HA GLY 114 2HA GLY 114 6.815 2.175 6.013 890 H ASP 115 H ASP 115 8.859 0.974 5.727 891 HA ASP 115 HA ASP 115 9.482 -1.388 6.842 892 1HB ASP 115 1HB ASP 115 10.903 0.985 5.921 893 2HB ASP 115 2HB ASP 115 11.728 0.319 7.315 894 H THR 116 H THR 116 10.124 1.892 8.321 895 HA THR 116 HA THR 116 9.359 0.899 10.925 896 HB THR 116 HB THR 116 11.706 0.152 10.808 897 HG1 THR 116 1HG THR 116 12.410 1.581 12.596 898 1HG2 THR 116 1HG2 THR 116 13.418 1.402 9.915 899 2HG2 THR 116 2HG2 THR 116 12.133 2.364 9.149 900 3HG2 THR 116 3HG2 THR 116 12.837 2.892 10.696 901 H CYS 117 H CYS 117 8.606 2.947 8.783 902 HA CYS 117 HA CYS 117 8.692 5.229 10.615 903 1HB CYS 117 1HB CYS 117 8.843 6.757 8.736 904 2HB CYS 117 2HB CYS 117 10.196 5.644 8.703 905 HG CYS 117 HG CYS 117 7.319 5.249 7.108 906 H GLN 118 H GLN 118 6.723 6.596 10.497 907 HA GLN 118 HA GLN 118 4.461 4.979 9.669 908 1HB GLN 118 1HB GLN 118 4.929 6.216 12.050 909 2HB GLN 118 2HB GLN 118 4.057 7.499 11.235 910 1HG GLN 118 1HG GLN 118 2.922 4.711 11.060 911 2HG GLN 118 2HG GLN 118 2.783 5.549 12.593 912 1HE2 GLN 118 1HE2 GLN 118 0.670 5.981 12.630 913 2HE2 GLN 118 2HE2 GLN 118 -0.180 6.979 11.497 914 H VAL 119 H VAL 119 3.283 5.514 7.876 915 HA VAL 119 HA VAL 119 3.419 8.300 6.977 916 HB VAL 119 HB VAL 119 3.570 7.465 4.654 917 1HG1 VAL 119 1HG1 VAL 119 5.980 6.329 6.006 918 2HG1 VAL 119 2HG1 VAL 119 5.859 7.483 4.659 919 3HG1 VAL 119 3HG1 VAL 119 5.572 8.031 6.328 920 1HG2 VAL 119 1HG2 VAL 119 2.697 5.158 5.183 921 2HG2 VAL 119 2HG2 VAL 119 4.138 5.198 4.141 922 3HG2 VAL 119 3HG2 VAL 119 4.297 4.781 5.865 923 H ALA 120 H ALA 120 1.531 9.012 5.796 924 HA ALA 120 HA ALA 120 -0.725 7.145 5.942 925 1HB ALA 120 1HB ALA 120 -2.115 9.096 6.735 926 2HB ALA 120 2HB ALA 120 -0.905 8.535 7.915 927 3HB ALA 120 3HB ALA 120 -0.604 10.010 6.964 928 H LEU 121 H LEU 121 -2.534 7.793 4.474 929 HA LEU 121 HA LEU 121 -1.573 9.506 2.294 930 1HB LEU 121 1HB LEU 121 -2.689 7.910 0.728 931 2HB LEU 121 2HB LEU 121 -1.206 7.346 1.475 932 HG LEU 121 HG LEU 121 -2.970 5.611 1.298 933 1HD1 LEU 121 1HD1 LEU 121 -1.288 6.191 3.477 934 2HD1 LEU 121 2HD1 LEU 121 -2.836 5.659 4.178 935 3HD1 LEU 121 3HD1 LEU 121 -1.980 4.617 3.016 936 1HD2 LEU 121 1HD2 LEU 121 -5.042 5.750 2.208 937 2HD2 LEU 121 2HD2 LEU 121 -4.508 6.777 3.560 938 3HD2 LEU 121 3HD2 LEU 121 -4.762 7.489 1.949 939 H ASN 122 H ASN 122 -3.145 10.817 1.310 940 HA ASN 122 HA ASN 122 -5.749 10.668 2.613 941 1HB ASN 122 1HB ASN 122 -4.324 12.662 3.322 942 2HB ASN 122 2HB ASN 122 -4.313 13.198 1.654 943 1HD2 ASN 122 1HD2 ASN 122 -5.241 15.085 2.898 944 2HD2 ASN 122 2HD2 ASN 122 -6.965 15.195 3.017 945 H PHE 123 H PHE 123 -7.432 10.435 1.120 946 HA PHE 123 HA PHE 123 -6.777 10.459 -1.667 947 1HB PHE 123 1HB PHE 123 -9.470 10.206 -0.203 948 2HB PHE 123 2HB PHE 123 -9.128 9.634 -1.824 949 HD1 PHE 123 1HD PHE 123 -7.333 7.791 -2.059 950 HD2 PHE 123 2HD PHE 123 -9.206 8.774 1.619 951 HE1 PHE 123 1HE PHE 123 -6.694 5.547 -1.135 952 HE2 PHE 123 2HE PHE 123 -8.567 6.530 2.545 953 HZ PHE 123 HZ PHE 123 -7.318 4.943 1.157 954 H ALA 124 H ALA 124 -8.003 11.682 -3.310 955 HA ALA 124 HA ALA 124 -8.387 14.403 -2.422 956 1HB ALA 124 1HB ALA 124 -8.984 13.942 -5.213 957 2HB ALA 124 2HB ALA 124 -7.624 14.833 -4.491 958 3HB ALA 124 3HB ALA 124 -7.489 13.081 -4.772 959 H ASN 125 H ASN 125 -10.267 11.532 -3.081 960 HA ASN 125 HA ASN 125 -12.654 13.205 -2.998 961 1HB ASN 125 1HB ASN 125 -11.859 11.170 -4.923 962 2HB ASN 125 2HB ASN 125 -13.290 10.610 -4.078 963 1HD2 ASN 125 1HD2 ASN 125 -11.975 12.784 -6.364 964 2HD2 ASN 125 2HD2 ASN 125 -13.421 13.623 -6.819 965 H GLU 126 H GLU 126 -14.338 12.428 -1.562 966 HA GLU 126 HA GLU 126 -13.412 10.852 0.557 967 1HB GLU 126 1HB GLU 126 -15.202 12.738 0.543 968 2HB GLU 126 2HB GLU 126 -16.327 11.508 0.005 969 1HG GLU 126 1HG GLU 126 -16.266 10.352 2.032 970 2HG GLU 126 2HG GLU 126 -14.622 10.839 2.391 971 H GLU 127 H GLU 127 -15.869 10.289 -2.057 972 HA GLU 127 HA GLU 127 -16.607 7.777 -1.274 973 1HB GLU 127 1HB GLU 127 -16.718 9.386 -3.767 974 2HB GLU 127 2HB GLU 127 -16.778 7.655 -4.036 975 1HG GLU 127 1HG GLU 127 -18.684 7.431 -2.483 976 2HG GLU 127 2HG GLU 127 -18.575 9.128 -2.053 977 H GLU 128 H GLU 128 -13.975 8.780 -3.562 978 HA GLU 128 HA GLU 128 -13.164 6.290 -4.298 979 1HB GLU 128 1HB GLU 128 -11.882 8.987 -4.113 980 2HB GLU 128 2HB GLU 128 -10.788 7.630 -4.284 981 1HG GLU 128 1HG GLU 128 -12.621 6.943 -6.181 982 2HG GLU 128 2HG GLU 128 -12.825 8.683 -6.217 983 H ALA 129 H ALA 129 -12.620 8.054 -1.257 984 HA ALA 129 HA ALA 129 -10.537 6.328 -0.352 985 1HB ALA 129 1HB ALA 129 -10.824 8.690 0.378 986 2HB ALA 129 2HB ALA 129 -12.355 8.241 1.169 987 3HB ALA 129 3HB ALA 129 -10.818 7.557 1.750 988 H LYS 130 H LYS 130 -14.110 6.529 -0.029 989 HA LYS 130 HA LYS 130 -14.245 4.459 1.910 990 1HB LYS 130 1HB LYS 130 -16.184 6.041 0.271 991 2HB LYS 130 2HB LYS 130 -16.739 4.535 0.972 992 1HG LYS 130 1HG LYS 130 -16.801 5.417 3.069 993 2HG LYS 130 2HG LYS 130 -15.183 6.073 2.924 994 1HD LYS 130 1HD LYS 130 -15.932 8.155 2.305 995 2HD LYS 130 2HD LYS 130 -17.205 7.511 1.288 996 1HE LYS 130 1HE LYS 130 -18.182 6.783 3.737 997 2HE LYS 130 2HE LYS 130 -17.270 8.205 4.204 998 1HZ LYS 130 1HZ LYS 130 -18.454 9.256 2.211 999 2HZ LYS 130 2HZ LYS 130 -19.512 8.020 2.352 1000 3HZ LYS 130 3HZ LYS 130 -19.289 9.050 3.599 1001 H LYS 131 H LYS 131 -14.155 4.645 -1.638 1002 HA LYS 131 HA LYS 131 -15.012 1.935 -1.972 1003 1HB LYS 131 1HB LYS 131 -13.635 3.678 -4.022 1004 2HB LYS 131 2HB LYS 131 -14.708 2.321 -4.298 1005 1HG LYS 131 1HG LYS 131 -15.948 4.408 -2.614 1006 2HG LYS 131 2HG LYS 131 -15.458 5.021 -4.181 1007 1HD LYS 131 1HD LYS 131 -16.931 2.383 -4.056 1008 2HD LYS 131 2HD LYS 131 -17.845 3.863 -3.846 1009 1HE LYS 131 1HE LYS 131 -16.142 4.351 -6.073 1010 2HE LYS 131 2HE LYS 131 -16.738 2.719 -6.299 1011 1HZ LYS 131 1HZ LYS 131 -18.601 3.639 -6.983 1012 2HZ LYS 131 2HZ LYS 131 -18.890 4.184 -5.470 1013 3HZ LYS 131 3HZ LYS 131 -18.128 5.142 -6.553 1014 H PHE 132 H PHE 132 -11.958 3.706 -1.548 1015 HA PHE 132 HA PHE 132 -10.218 1.787 -2.522 1016 1HB PHE 132 1HB PHE 132 -10.205 4.277 -1.156 1017 2HB PHE 132 2HB PHE 132 -9.411 3.200 -0.026 1018 HD1 PHE 132 1HD PHE 132 -7.510 1.696 -1.081 1019 HD2 PHE 132 2HD PHE 132 -8.928 5.318 -2.777 1020 HE1 PHE 132 1HE PHE 132 -5.365 1.936 -2.361 1021 HE2 PHE 132 2HE PHE 132 -6.783 5.559 -4.057 1022 HZ PHE 132 HZ PHE 132 -5.027 3.866 -3.834 1023 H ARG 133 H ARG 133 -11.267 2.353 0.919 1024 HA ARG 133 HA ARG 133 -9.952 0.125 1.880 1025 1HB ARG 133 1HB ARG 133 -11.852 0.401 3.757 1026 2HB ARG 133 2HB ARG 133 -10.570 1.586 3.593 1027 1HG ARG 133 1HG ARG 133 -11.972 3.196 2.668 1028 2HG ARG 133 2HG ARG 133 -12.999 2.013 1.882 1029 1HD ARG 133 1HD ARG 133 -13.306 1.536 4.675 1030 2HD ARG 133 2HD ARG 133 -13.326 3.280 4.498 1031 HE ARG 133 HE ARG 133 -14.986 2.345 2.447 1032 1HH1 ARG 133 2HH2 ARG 133 -14.910 2.058 5.953 1033 2HH1 ARG 133 1HH2 ARG 133 -16.628 1.905 6.106 1034 1HH2 ARG 133 2HH1 ARG 133 -17.253 2.142 2.647 1035 2HH2 ARG 133 1HH1 ARG 133 -17.970 1.953 4.213 1036 H LYS 134 H LYS 134 -13.213 0.610 0.480 1037 HA LYS 134 HA LYS 134 -14.362 -1.789 1.301 1038 1HB LYS 134 1HB LYS 134 -14.998 0.419 -0.421 1039 2HB LYS 134 2HB LYS 134 -15.371 -1.072 -1.262 1040 1HG LYS 134 1HG LYS 134 -16.592 -1.856 0.845 1041 2HG LYS 134 2HG LYS 134 -16.355 -0.251 1.509 1042 1HD LYS 134 1HD LYS 134 -17.996 0.667 0.205 1043 2HD LYS 134 2HD LYS 134 -17.467 -0.188 -1.230 1044 1HE LYS 134 1HE LYS 134 -18.511 -2.314 -0.157 1045 2HE LYS 134 2HE LYS 134 -19.269 -1.233 0.994 1046 1HZ LYS 134 1HZ LYS 134 -19.607 -1.213 -1.921 1047 2HZ LYS 134 2HZ LYS 134 -20.741 -1.546 -0.793 1048 3HZ LYS 134 3HZ LYS 134 -20.169 -0.025 -0.951 1049 H ALA 135 H ALA 135 -12.440 -0.942 -1.645 1050 HA ALA 135 HA ALA 135 -12.642 -3.449 -2.847 1051 1HB ALA 135 1HB ALA 135 -10.175 -1.746 -3.114 1052 2HB ALA 135 2HB ALA 135 -11.112 -2.593 -4.368 1053 3HB ALA 135 3HB ALA 135 -11.739 -1.089 -3.652 1054 H VAL 136 H VAL 136 -10.026 -2.040 -0.751 1055 HA VAL 136 HA VAL 136 -8.394 -4.238 -0.680 1056 HB VAL 136 HB VAL 136 -9.007 -2.031 1.266 1057 1HG1 VAL 136 1HG1 VAL 136 -8.352 -3.721 2.775 1058 2HG1 VAL 136 2HG1 VAL 136 -7.125 -4.365 1.657 1059 3HG1 VAL 136 3HG1 VAL 136 -6.864 -2.796 2.455 1060 1HG2 VAL 136 1HG2 VAL 136 -7.792 -1.559 -0.870 1061 2HG2 VAL 136 2HG2 VAL 136 -6.853 -1.177 0.594 1062 3HG2 VAL 136 3HG2 VAL 136 -6.501 -2.658 -0.329 1063 H THR 137 H THR 137 -10.972 -3.383 1.743 1064 HA THR 137 HA THR 137 -10.813 -5.695 3.228 1065 HB THR 137 HB THR 137 -13.249 -5.071 3.774 1066 HG1 THR 137 1HG THR 137 -13.921 -4.148 1.806 1067 1HG2 THR 137 1HG2 THR 137 -11.546 -3.888 5.066 1068 2HG2 THR 137 2HG2 THR 137 -11.126 -2.869 3.669 1069 3HG2 THR 137 3HG2 THR 137 -12.699 -2.668 4.477 1070 H ASP 138 H ASP 138 -12.751 -5.078 0.244 1071 HA ASP 138 HA ASP 138 -14.138 -7.402 0.219 1072 1HB ASP 138 1HB ASP 138 -13.327 -5.356 -1.694 1073 2HB ASP 138 2HB ASP 138 -13.297 -6.924 -2.473 1074 H LEU 139 H LEU 139 -10.788 -6.673 -0.951 1075 HA LEU 139 HA LEU 139 -10.322 -9.210 -2.075 1076 1HB LEU 139 1HB LEU 139 -8.391 -7.118 -1.063 1077 2HB LEU 139 2HB LEU 139 -7.965 -8.502 -2.051 1078 HG LEU 139 HG LEU 139 -9.852 -6.291 -2.908 1079 1HD1 LEU 139 1HD1 LEU 139 -7.350 -5.728 -2.533 1080 2HD1 LEU 139 2HD1 LEU 139 -7.080 -6.695 -4.002 1081 3HD1 LEU 139 3HD1 LEU 139 -8.127 -5.256 -4.064 1082 1HD2 LEU 139 1HD2 LEU 139 -8.644 -7.871 -5.022 1083 2HD2 LEU 139 2HD2 LEU 139 -9.593 -8.882 -3.905 1084 3HD2 LEU 139 3HD2 LEU 139 -10.353 -7.489 -4.711 1085 H LEU 140 H LEU 140 -9.818 -7.789 1.189 1086 HA LEU 140 HA LEU 140 -8.412 -10.029 2.182 1087 1HB LEU 140 1HB LEU 140 -9.632 -7.551 3.271 1088 2HB LEU 140 2HB LEU 140 -9.379 -8.869 4.398 1089 HG LEU 140 HG LEU 140 -6.960 -8.669 2.986 1090 1HD1 LEU 140 1HD1 LEU 140 -6.551 -6.132 3.712 1091 2HD1 LEU 140 2HD1 LEU 140 -7.098 -6.591 2.082 1092 3HD1 LEU 140 3HD1 LEU 140 -8.276 -6.016 3.285 1093 1HD2 LEU 140 1HD2 LEU 140 -7.538 -7.454 5.694 1094 2HD2 LEU 140 2HD2 LEU 140 -7.422 -9.208 5.412 1095 3HD2 LEU 140 3HD2 LEU 140 -6.016 -8.161 5.100 1096 H GLY 141 H GLY 141 -11.847 -9.151 1.833 1097 1HA GLY 141 1HA GLY 141 -12.848 -11.165 3.581 1098 2HA GLY 141 2HA GLY 141 -13.741 -10.248 2.383 1099 H ARG 142 H ARG 142 -12.481 -10.884 -0.025 1100 HA ARG 142 HA ARG 142 -13.555 -13.421 -0.472 1101 1HB ARG 142 1HB ARG 142 -12.213 -11.287 -2.060 1102 2HB ARG 142 2HB ARG 142 -11.972 -12.899 -2.703 1103 1HG ARG 142 1HG ARG 142 -14.748 -12.643 -1.925 1104 2HG ARG 142 2HG ARG 142 -14.319 -11.245 -2.892 1105 1HD ARG 142 1HD ARG 142 -14.060 -12.485 -4.811 1106 2HD ARG 142 2HD ARG 142 -13.261 -13.802 -3.975 1107 HE ARG 142 HE ARG 142 -15.866 -14.008 -3.079 1108 1HH1 ARG 142 2HH2 ARG 142 -14.420 -13.826 -6.282 1109 2HH1 ARG 142 1HH2 ARG 142 -15.670 -14.755 -7.039 1110 1HH2 ARG 142 2HH1 ARG 142 -17.516 -15.235 -4.078 1111 2HH2 ARG 142 1HH1 ARG 142 -17.443 -15.562 -5.777 1112 H ARG 143 H ARG 143 -10.234 -12.125 -0.013 1113 HA ARG 143 HA ARG 143 -8.366 -13.094 0.494 1114 1HB ARG 143 1HB ARG 143 -10.290 -15.036 1.380 1115 2HB ARG 143 2HB ARG 143 -9.006 -15.932 0.592 1116 1HG ARG 143 1HG ARG 143 -7.310 -14.900 2.027 1117 2HG ARG 143 2HG ARG 143 -8.486 -13.792 2.707 1118 1HD ARG 143 1HD ARG 143 -8.857 -16.806 2.937 1119 2HD ARG 143 2HD ARG 143 -7.868 -15.926 4.086 1120 HE ARG 143 HE ARG 143 -10.776 -15.880 3.909 1121 1HH1 ARG 143 2HH2 ARG 143 -7.963 -14.011 4.899 1122 2HH1 ARG 143 1HH2 ARG 143 -8.843 -13.052 6.041 1123 1HH2 ARG 143 2HH1 ARG 143 -11.937 -14.615 5.417 1124 2HH2 ARG 143 1HH1 ARG 143 -11.119 -13.398 6.338 1125 H GLN 144 H GLN 144 -10.231 -15.523 -1.490 1126 HA GLN 144 HA GLN 144 -8.266 -16.654 -2.857 1127 1HB GLN 144 1HB GLN 144 -11.096 -16.185 -3.269 1128 2HB GLN 144 2HB GLN 144 -10.276 -16.085 -4.814 1129 1HG GLN 144 1HG GLN 144 -9.381 -18.299 -4.620 1130 2HG GLN 144 2HG GLN 144 -9.688 -18.369 -2.896 1131 1HE2 GLN 144 1HE2 GLN 144 -10.856 -18.996 -6.013 1132 2HE2 GLN 144 2HE2 GLN 144 -12.460 -19.523 -5.626 Start of MODEL 10 1 1H ASP 1 H ASP 1 -9.567 19.080 10.289 2 HA ASP 1 HA ASP 1 -10.389 17.488 9.068 3 1HB ASP 1 1HB ASP 1 -8.509 18.875 7.185 4 2HB ASP 1 2HB ASP 1 -9.112 17.317 6.655 5 H LEU 2 H LEU 2 -6.784 17.602 8.538 6 HA LEU 2 HA LEU 2 -6.484 14.864 8.064 7 1HB LEU 2 1HB LEU 2 -4.608 17.049 8.943 8 2HB LEU 2 2HB LEU 2 -4.068 15.395 8.734 9 HG LEU 2 HG LEU 2 -5.057 15.579 6.347 10 1HD1 LEU 2 1HD1 LEU 2 -6.338 17.572 6.508 11 2HD1 LEU 2 2HD1 LEU 2 -4.957 18.493 7.149 12 3HD1 LEU 2 3HD1 LEU 2 -4.947 17.937 5.459 13 1HD2 LEU 2 1HD2 LEU 2 -2.835 15.393 6.141 14 2HD2 LEU 2 2HD2 LEU 2 -2.878 17.145 5.836 15 3HD2 LEU 2 3HD2 LEU 2 -2.510 16.535 7.467 16 HA PRO 3 HA PRO 3 -6.840 13.256 12.059 17 1HB PRO 3 1HB PRO 3 -5.695 10.802 11.692 18 2HB PRO 3 2HB PRO 3 -7.349 11.166 11.241 19 1HG PRO 3 1HG PRO 3 -4.979 10.853 9.502 20 2HG PRO 3 2HG PRO 3 -6.676 10.791 9.067 21 1HD PRO 3 1HD PRO 3 -4.867 12.973 8.618 22 2HD PRO 3 2HD PRO 3 -6.589 12.954 8.289 23 HA PRO 4 HA PRO 4 -3.267 13.812 14.277 24 1HB PRO 4 1HB PRO 4 -3.625 12.277 16.511 25 2HB PRO 4 2HB PRO 4 -4.363 13.853 16.302 26 1HG PRO 4 1HG PRO 4 -5.612 11.181 16.109 27 2HG PRO 4 2HG PRO 4 -6.382 12.739 16.327 28 1HD PRO 4 1HD PRO 4 -6.252 11.213 13.902 29 2HD PRO 4 2HD PRO 4 -6.920 12.821 14.093 30 HA PRO 5 HA PRO 5 -0.511 10.767 13.153 31 1HB PRO 5 1HB PRO 5 1.819 11.935 13.977 32 2HB PRO 5 2HB PRO 5 1.052 12.302 12.445 33 1HG PRO 5 1HG PRO 5 1.131 13.926 14.915 34 2HG PRO 5 2HG PRO 5 0.756 14.432 13.279 35 1HD PRO 5 1HD PRO 5 -1.113 13.986 15.409 36 2HD PRO 5 2HD PRO 5 -1.495 14.379 13.744 37 H GLU 6 H GLU 6 0.304 8.871 13.918 38 HA GLU 6 HA GLU 6 0.475 8.869 16.831 39 1HB GLU 6 1HB GLU 6 -0.687 6.871 14.887 40 2HB GLU 6 2HB GLU 6 -0.021 6.287 16.398 41 1HG GLU 6 1HG GLU 6 -1.683 7.263 17.680 42 2HG GLU 6 2HG GLU 6 -1.824 8.661 16.633 43 HA PRO 7 HA PRO 7 4.551 7.484 16.249 44 1HB PRO 7 1HB PRO 7 5.106 6.510 18.742 45 2HB PRO 7 2HB PRO 7 5.173 8.216 18.342 46 1HG PRO 7 1HG PRO 7 3.116 6.751 19.879 47 2HG PRO 7 2HG PRO 7 3.428 8.474 19.829 48 1HD PRO 7 1HD PRO 7 1.301 7.076 18.506 49 2HD PRO 7 2HD PRO 7 1.684 8.781 18.363 50 H TYR 8 H TYR 8 5.212 5.889 14.970 51 HA TYR 8 HA TYR 8 4.027 3.279 15.552 52 1HB TYR 8 1HB TYR 8 3.805 4.159 13.255 53 2HB TYR 8 2HB TYR 8 5.484 4.658 13.224 54 HD1 TYR 8 1HD TYR 8 7.292 2.967 12.962 55 HD2 TYR 8 2HD TYR 8 3.158 1.890 12.737 56 HE1 TYR 8 1HE TYR 8 7.919 0.764 11.859 57 HE2 TYR 8 2HE TYR 8 3.798 -0.310 11.634 58 HH TYR 8 HH TYR 8 5.409 -1.460 10.722 59 H VAL 9 H VAL 9 5.197 1.769 16.618 60 HA VAL 9 HA VAL 9 8.113 1.891 16.309 61 HB VAL 9 HB VAL 9 6.475 1.574 18.823 62 1HG1 VAL 9 1HG1 VAL 9 8.021 -0.094 19.218 63 2HG1 VAL 9 2HG1 VAL 9 9.276 0.679 18.220 64 3HG1 VAL 9 3HG1 VAL 9 8.898 1.328 19.834 65 1HG2 VAL 9 1HG2 VAL 9 8.369 3.617 17.727 66 2HG2 VAL 9 2HG2 VAL 9 6.857 3.829 18.642 67 3HG2 VAL 9 3HG2 VAL 9 8.346 3.341 19.486 68 H GLN 10 H GLN 10 8.766 0.088 15.267 69 HA GLN 10 HA GLN 10 8.158 -2.431 16.232 70 1HB GLN 10 1HB GLN 10 6.171 -1.377 14.403 71 2HB GLN 10 2HB GLN 10 6.988 -2.725 13.637 72 1HG GLN 10 1HG GLN 10 6.272 -4.268 15.244 73 2HG GLN 10 2HG GLN 10 6.166 -3.066 16.514 74 1HE2 GLN 10 1HE2 GLN 10 4.416 -5.043 14.632 75 2HE2 GLN 10 2HE2 GLN 10 2.895 -4.215 14.557 76 H THR 11 H THR 11 8.992 -4.194 14.602 77 HA THR 11 HA THR 11 10.542 -3.416 12.398 78 HB THR 11 HB THR 11 11.876 -2.309 14.260 79 HG1 THR 11 1HG THR 11 12.982 -4.701 12.963 80 1HG2 THR 11 1HG2 THR 11 12.649 -3.492 16.069 81 2HG2 THR 11 2HG2 THR 11 11.429 -4.717 15.644 82 3HG2 THR 11 3HG2 THR 11 13.098 -4.881 15.052 83 H THR 12 H THR 12 8.883 -5.250 12.079 84 HA THR 12 HA THR 12 10.358 -7.622 11.737 85 HB THR 12 HB THR 12 10.063 -7.849 14.186 86 HG1 THR 12 1HG THR 12 9.752 -9.712 12.706 87 1HG2 THR 12 1HG2 THR 12 8.015 -7.651 15.291 88 2HG2 THR 12 2HG2 THR 12 7.731 -6.470 13.989 89 3HG2 THR 12 3HG2 THR 12 7.082 -8.122 13.850 90 H LYS 13 H LYS 13 9.658 -7.446 9.617 91 HA LYS 13 HA LYS 13 6.796 -8.016 9.301 92 1HB LYS 13 1HB LYS 13 8.399 -5.810 8.157 93 2HB LYS 13 2HB LYS 13 7.411 -6.677 7.000 94 1HG LYS 13 1HG LYS 13 6.393 -5.500 9.630 95 2HG LYS 13 2HG LYS 13 6.192 -4.757 8.056 96 1HD LYS 13 1HD LYS 13 4.430 -6.102 7.533 97 2HD LYS 13 2HD LYS 13 5.294 -7.550 8.013 98 1HE LYS 13 1HE LYS 13 4.347 -7.581 10.107 99 2HE LYS 13 2HE LYS 13 4.482 -5.844 10.306 100 1HZ LYS 13 1HZ LYS 13 2.589 -6.682 8.324 101 2HZ LYS 13 2HZ LYS 13 2.206 -7.111 9.851 102 3HZ LYS 13 3HZ LYS 13 2.450 -5.540 9.481 103 H SER 14 H SER 14 6.395 -8.977 7.003 104 HA SER 14 HA SER 14 8.671 -10.359 5.964 105 1HB SER 14 1HB SER 14 6.823 -11.656 7.824 106 2HB SER 14 2HB SER 14 6.792 -12.457 6.266 107 HG SER 14 HG SER 14 9.002 -12.090 8.063 108 H TYR 15 H TYR 15 8.349 -10.920 3.767 109 HA TYR 15 HA TYR 15 5.710 -10.165 2.711 110 1HB TYR 15 1HB TYR 15 8.540 -10.318 1.493 111 2HB TYR 15 2HB TYR 15 7.125 -9.761 0.621 112 HD1 TYR 15 1HD TYR 15 5.843 -7.720 1.731 113 HD2 TYR 15 2HD TYR 15 9.918 -8.751 2.529 114 HE1 TYR 15 1HE TYR 15 6.296 -5.349 2.527 115 HE2 TYR 15 2HE TYR 15 10.356 -6.376 3.322 116 HH TYR 15 HH TYR 15 9.564 -4.331 3.397 117 HA PRO 16 HA PRO 16 5.291 -14.240 1.301 118 1HB PRO 16 1HB PRO 16 3.302 -13.907 -0.542 119 2HB PRO 16 2HB PRO 16 3.001 -14.031 1.179 120 1HG PRO 16 1HG PRO 16 2.933 -11.632 -0.546 121 2HG PRO 16 2HG PRO 16 2.238 -11.858 1.046 122 1HD PRO 16 1HD PRO 16 4.637 -10.420 0.410 123 2HD PRO 16 2HD PRO 16 4.004 -10.746 2.012 124 H SER 17 H SER 17 5.796 -11.707 -1.033 125 HA SER 17 HA SER 17 6.324 -13.349 -3.179 126 1HB SER 17 1HB SER 17 7.258 -11.411 -4.223 127 2HB SER 17 2HB SER 17 6.003 -10.815 -3.156 128 HG SER 17 HG SER 17 8.607 -10.131 -3.179 129 H LYS 18 H LYS 18 8.415 -12.135 -0.508 130 HA LYS 18 HA LYS 18 10.511 -13.947 -1.487 131 1HB LYS 18 1HB LYS 18 10.806 -11.296 -1.445 132 2HB LYS 18 2HB LYS 18 11.187 -11.600 0.239 133 1HG LYS 18 1HG LYS 18 12.899 -13.293 -0.458 134 2HG LYS 18 2HG LYS 18 12.523 -12.977 -2.140 135 1HD LYS 18 1HD LYS 18 13.382 -10.740 -2.037 136 2HD LYS 18 2HD LYS 18 13.355 -10.717 -0.285 137 1HE LYS 18 1HE LYS 18 15.145 -12.476 -0.239 138 2HE LYS 18 2HE LYS 18 15.178 -12.481 -1.991 139 1HZ LYS 18 1HZ LYS 18 16.022 -10.347 -2.033 140 2HZ LYS 18 2HZ LYS 18 15.581 -10.000 -0.500 141 3HZ LYS 18 3HZ LYS 18 16.822 -11.023 -0.781 142 H LEU 19 H LEU 19 8.798 -15.356 -0.168 143 HA LEU 19 HA LEU 19 9.532 -15.216 2.665 144 1HB LEU 19 1HB LEU 19 7.178 -15.046 2.301 145 2HB LEU 19 2HB LEU 19 7.176 -16.434 1.232 146 HG LEU 19 HG LEU 19 7.494 -17.959 3.010 147 1HD1 LEU 19 1HD1 LEU 19 7.669 -16.761 5.427 148 2HD1 LEU 19 2HD1 LEU 19 9.072 -17.322 4.485 149 3HD1 LEU 19 3HD1 LEU 19 8.592 -15.609 4.432 150 1HD2 LEU 19 1HD2 LEU 19 5.596 -17.569 4.448 151 2HD2 LEU 19 2HD2 LEU 19 5.624 -15.828 4.077 152 3HD2 LEU 19 3HD2 LEU 19 5.218 -17.003 2.803 153 H ALA 20 H ALA 20 10.964 -16.373 0.103 154 HA ALA 20 HA ALA 20 12.372 -18.044 -0.255 155 1HB ALA 20 1HB ALA 20 13.446 -18.428 1.684 156 2HB ALA 20 2HB ALA 20 11.980 -18.070 2.628 157 3HB ALA 20 3HB ALA 20 12.263 -19.716 2.012 158 H ARG 21 H ARG 21 9.252 -18.145 -0.477 159 HA ARG 21 HA ARG 21 7.727 -19.519 -1.155 160 1HB ARG 21 1HB ARG 21 10.041 -20.168 -2.601 161 2HB ARG 21 2HB ARG 21 9.478 -21.737 -2.058 162 1HG ARG 21 1HG ARG 21 7.117 -20.934 -2.900 163 2HG ARG 21 2HG ARG 21 8.009 -19.701 -3.770 164 1HD ARG 21 1HD ARG 21 8.570 -21.194 -5.387 165 2HD ARG 21 2HD ARG 21 9.335 -22.237 -4.205 166 HE ARG 21 HE ARG 21 6.496 -22.559 -3.998 167 1HH1 ARG 21 2HH2 ARG 21 9.147 -23.297 -6.190 168 2HH1 ARG 21 1HH2 ARG 21 8.367 -24.687 -6.870 169 1HH2 ARG 21 2HH1 ARG 21 5.466 -24.391 -4.895 170 2HH2 ARG 21 1HH1 ARG 21 6.259 -25.313 -6.129 171 H ASN 22 H ASN 22 6.951 -20.051 1.002 172 HA ASN 22 HA ASN 22 6.418 -21.345 2.658 173 1HB ASN 22 1HB ASN 22 7.140 -23.443 0.572 174 2HB ASN 22 2HB ASN 22 6.634 -23.943 2.174 175 1HD2 ASN 22 1HD2 ASN 22 4.616 -24.538 2.185 176 2HD2 ASN 22 2HD2 ASN 22 3.285 -23.776 1.378 177 H GLU 23 H GLU 23 7.328 -23.220 4.223 178 HA GLU 23 HA GLU 23 10.222 -22.860 4.297 179 1HB GLU 23 1HB GLU 23 8.100 -22.802 6.390 180 2HB GLU 23 2HB GLU 23 9.564 -23.652 6.845 181 1HG GLU 23 1HG GLU 23 10.827 -21.551 5.904 182 2HG GLU 23 2HG GLU 23 9.270 -20.751 5.987 183 H SER 24 H SER 24 11.310 -24.765 5.656 184 HA SER 24 HA SER 24 11.313 -26.977 4.215 185 1HB SER 24 1HB SER 24 12.054 -28.185 6.362 186 2HB SER 24 2HB SER 24 12.955 -26.750 5.918 187 HG SER 24 HG SER 24 11.894 -27.173 8.257 188 H ARG 25 H ARG 25 9.358 -26.612 7.270 189 HA ARG 25 HA ARG 25 7.588 -27.619 7.993 190 1HB ARG 25 1HB ARG 25 7.065 -27.283 5.079 191 2HB ARG 25 2HB ARG 25 6.051 -28.492 5.842 192 1HG ARG 25 1HG ARG 25 6.419 -25.731 7.071 193 2HG ARG 25 2HG ARG 25 5.207 -26.025 5.839 194 1HD ARG 25 1HD ARG 25 4.804 -28.149 7.626 195 2HD ARG 25 2HD ARG 25 5.211 -26.816 8.689 196 HE ARG 25 HE ARG 25 3.395 -25.636 7.015 197 1HH1 ARG 25 2HH2 ARG 25 3.317 -28.673 8.792 198 2HH1 ARG 25 1HH2 ARG 25 1.595 -28.670 8.972 199 1HH2 ARG 25 2HH1 ARG 25 1.123 -25.633 7.252 200 2HH2 ARG 25 1HH1 ARG 25 0.338 -26.930 8.090 201 H GLY 26 H GLY 26 6.194 -29.796 7.872 202 1HA GLY 26 1HA GLY 26 8.113 -31.975 7.357 203 2HA GLY 26 2HA GLY 26 6.811 -31.994 8.529 204 H SER 27 H SER 27 7.219 -34.035 6.537 205 HA SER 27 HA SER 27 6.095 -35.233 5.120 206 1HB SER 27 1HB SER 27 3.862 -33.383 6.010 207 2HB SER 27 2HB SER 27 3.569 -34.586 4.770 208 HG SER 27 HG SER 27 4.081 -36.253 6.225 209 H GLY 28 H GLY 28 5.178 -35.261 2.844 210 1HA GLY 28 1HA GLY 28 6.329 -33.096 1.316 211 2HA GLY 28 2HA GLY 28 5.618 -34.580 0.712 212 H SER 29 H SER 29 5.060 -32.140 -0.550 213 HA SER 29 HA SER 29 2.235 -32.123 -0.266 214 1HB SER 29 1HB SER 29 2.185 -29.554 -0.015 215 2HB SER 29 2HB SER 29 2.532 -30.490 1.426 216 HG SER 29 HG SER 29 4.369 -29.001 -0.225 217 H GLY 30 H GLY 30 1.217 -30.737 -2.040 218 1HA GLY 30 1HA GLY 30 2.209 -29.286 -3.977 219 2HA GLY 30 2HA GLY 30 2.950 -30.817 -4.402 220 H SER 31 H SER 31 0.930 -29.264 -5.925 221 HA SER 31 HA SER 31 -0.823 -31.449 -6.410 222 1HB SER 31 1HB SER 31 -1.960 -30.162 -4.537 223 2HB SER 31 2HB SER 31 -2.058 -28.779 -5.608 224 HG SER 31 HG SER 31 -3.289 -30.156 -7.113 225 H LEU 32 H LEU 32 -2.054 -31.118 -8.468 226 HA LEU 32 HA LEU 32 -0.770 -29.037 -10.094 227 1HB LEU 32 1HB LEU 32 -1.448 -31.887 -10.582 228 2HB LEU 32 2HB LEU 32 -1.669 -30.779 -11.921 229 HG LEU 32 HG LEU 32 0.859 -30.123 -10.970 230 1HD1 LEU 32 1HD1 LEU 32 1.888 -31.854 -10.035 231 2HD1 LEU 32 2HD1 LEU 32 0.297 -32.639 -9.888 232 3HD1 LEU 32 3HD1 LEU 32 1.322 -32.964 -11.307 233 1HD2 LEU 32 1HD2 LEU 32 -0.251 -31.622 -13.298 234 2HD2 LEU 32 2HD2 LEU 32 0.676 -30.103 -13.241 235 3HD2 LEU 32 3HD2 LEU 32 1.510 -31.662 -13.037 236 H PHE 33 H PHE 33 -2.039 -27.576 -11.188 237 HA PHE 33 HA PHE 33 -4.843 -28.116 -11.515 238 1HB PHE 33 1HB PHE 33 -3.660 -26.490 -9.331 239 2HB PHE 33 2HB PHE 33 -4.737 -25.524 -10.319 240 HD1 PHE 33 1HD PHE 33 -7.121 -26.373 -10.668 241 HD2 PHE 33 2HD PHE 33 -4.518 -27.951 -7.710 242 HE1 PHE 33 1HE PHE 33 -9.094 -27.305 -9.428 243 HE2 PHE 33 2HE PHE 33 -6.492 -28.883 -6.470 244 HZ PHE 33 HZ PHE 33 -8.756 -28.549 -7.344 245 H SER 34 H SER 34 -5.938 -26.234 -12.697 246 HA SER 34 HA SER 34 -4.519 -25.631 -14.936 247 1HB SER 34 1HB SER 34 -6.317 -23.897 -15.343 248 2HB SER 34 2HB SER 34 -6.925 -25.490 -14.938 249 HG SER 34 HG SER 34 -7.322 -24.788 -12.779 250 H PHE 35 H PHE 35 -2.849 -24.230 -15.349 251 HA PHE 35 HA PHE 35 -1.977 -22.463 -13.299 252 1HB PHE 35 1HB PHE 35 -0.577 -23.781 -15.012 253 2HB PHE 35 2HB PHE 35 -1.216 -22.740 -16.269 254 HD1 PHE 35 1HD PHE 35 -0.223 -20.659 -16.728 255 HD2 PHE 35 2HD PHE 35 0.815 -22.722 -13.168 256 HE1 PHE 35 1HE PHE 35 1.642 -19.028 -16.326 257 HE2 PHE 35 2HE PHE 35 2.679 -21.091 -12.765 258 HZ PHE 35 HZ PHE 35 3.070 -19.263 -14.350 259 H LEU 36 H LEU 36 -2.506 -20.352 -12.977 260 HA LEU 36 HA LEU 36 -3.533 -18.866 -15.277 261 1HB LEU 36 1HB LEU 36 -5.362 -19.834 -13.779 262 2HB LEU 36 2HB LEU 36 -4.812 -18.708 -12.556 263 HG LEU 36 HG LEU 36 -5.137 -16.962 -14.562 264 1HD1 LEU 36 1HD1 LEU 36 -7.565 -18.006 -15.405 265 2HD1 LEU 36 2HD1 LEU 36 -6.069 -17.884 -16.362 266 3HD1 LEU 36 3HD1 LEU 36 -6.450 -19.391 -15.494 267 1HD2 LEU 36 1HD2 LEU 36 -6.154 -16.716 -12.399 268 2HD2 LEU 36 2HD2 LEU 36 -7.406 -16.505 -13.647 269 3HD2 LEU 36 3HD2 LEU 36 -7.304 -18.032 -12.737 270 H GLY 37 H GLY 37 -3.036 -16.628 -15.256 271 1HA GLY 37 1HA GLY 37 -2.207 -14.966 -13.378 272 2HA GLY 37 2HA GLY 37 -0.783 -15.979 -13.516 273 H LYS 38 H LYS 38 -1.369 -13.059 -14.275 274 HA LYS 38 HA LYS 38 0.152 -13.078 -16.659 275 1HB LYS 38 1HB LYS 38 -1.544 -11.937 -18.098 276 2HB LYS 38 2HB LYS 38 -1.869 -13.632 -17.794 277 1HG LYS 38 1HG LYS 38 -3.073 -11.851 -15.760 278 2HG LYS 38 2HG LYS 38 -3.659 -11.524 -17.378 279 1HD LYS 38 1HD LYS 38 -4.733 -13.561 -17.558 280 2HD LYS 38 2HD LYS 38 -3.491 -14.418 -16.668 281 1HE LYS 38 1HE LYS 38 -4.665 -14.259 -14.727 282 2HE LYS 38 2HE LYS 38 -4.830 -12.522 -14.899 283 1HZ LYS 38 1HZ LYS 38 -6.586 -13.170 -16.632 284 2HZ LYS 38 2HZ LYS 38 -6.603 -14.615 -15.872 285 3HZ LYS 38 3HZ LYS 38 -6.969 -13.255 -15.046 286 H LYS 39 H LYS 39 1.445 -11.887 -15.093 287 HA LYS 39 HA LYS 39 2.218 -10.040 -14.165 288 1HB LYS 39 1HB LYS 39 0.522 -8.918 -16.378 289 2HB LYS 39 2HB LYS 39 1.278 -7.828 -15.234 290 1HG LYS 39 1HG LYS 39 3.410 -8.274 -15.996 291 2HG LYS 39 2HG LYS 39 3.071 -9.969 -16.284 292 1HD LYS 39 1HD LYS 39 1.539 -8.192 -18.083 293 2HD LYS 39 2HD LYS 39 3.270 -7.976 -18.244 294 1HE LYS 39 1HE LYS 39 3.620 -10.305 -18.778 295 2HE LYS 39 2HE LYS 39 2.010 -10.748 -18.246 296 1HZ LYS 39 1HZ LYS 39 1.723 -10.600 -20.472 297 2HZ LYS 39 2HZ LYS 39 1.335 -9.063 -20.076 298 3HZ LYS 39 3HZ LYS 39 2.812 -9.400 -20.685 299 H CYS 40 H CYS 40 1.266 -7.685 -13.204 300 HA CYS 40 HA CYS 40 -0.498 -8.624 -11.160 301 1HB CYS 40 1HB CYS 40 -0.179 -6.327 -10.217 302 2HB CYS 40 2HB CYS 40 1.310 -7.216 -10.466 303 HG CYS 40 HG CYS 40 2.381 -5.708 -11.945 304 H VAL 41 H VAL 41 -2.671 -7.927 -10.819 305 HA VAL 41 HA VAL 41 -3.870 -6.664 -13.174 306 HB VAL 41 HB VAL 41 -4.545 -8.978 -12.365 307 1HG1 VAL 41 1HG1 VAL 41 -5.891 -7.355 -10.178 308 2HG1 VAL 41 2HG1 VAL 41 -6.140 -9.087 -10.502 309 3HG1 VAL 41 3HG1 VAL 41 -4.550 -8.504 -9.954 310 1HG2 VAL 41 1HG2 VAL 41 -7.111 -7.702 -12.282 311 2HG2 VAL 41 2HG2 VAL 41 -6.066 -6.813 -13.415 312 3HG2 VAL 41 3HG2 VAL 41 -6.330 -8.559 -13.631 313 H THR 42 H THR 42 -5.076 -4.771 -13.002 314 HA THR 42 HA THR 42 -4.645 -3.298 -10.533 315 HB THR 42 HB THR 42 -5.711 -2.544 -13.305 316 HG1 THR 42 1HG THR 42 -3.262 -1.908 -11.828 317 1HG2 THR 42 1HG2 THR 42 -4.722 -0.706 -11.071 318 2HG2 THR 42 2HG2 THR 42 -5.463 -0.231 -12.618 319 3HG2 THR 42 3HG2 THR 42 -6.452 -1.010 -11.360 320 H MET 43 H MET 43 -6.144 -2.823 -9.025 321 HA MET 43 HA MET 43 -8.728 -4.037 -9.451 322 1HB MET 43 1HB MET 43 -6.996 -3.260 -7.148 323 2HB MET 43 2HB MET 43 -8.695 -2.932 -6.874 324 1HG MET 43 1HG MET 43 -8.155 -5.600 -8.085 325 2HG MET 43 2HG MET 43 -7.479 -5.392 -6.481 326 1HE MET 43 1HE MET 43 -10.084 -4.688 -4.150 327 2HE MET 43 2HE MET 43 -8.696 -3.867 -4.904 328 3HE MET 43 3HE MET 43 -10.349 -3.280 -5.204 329 H SER 44 H SER 44 -7.435 -0.891 -8.141 330 HA SER 44 HA SER 44 -9.394 0.506 -9.667 331 1HB SER 44 1HB SER 44 -10.364 -0.301 -7.294 332 2HB SER 44 2HB SER 44 -9.502 1.112 -6.720 333 HG SER 44 HG SER 44 -11.400 1.163 -8.907 334 H SER 45 H SER 45 -9.036 2.922 -9.510 335 HA SER 45 HA SER 45 -6.393 3.494 -8.426 336 1HB SER 45 1HB SER 45 -6.843 3.290 -11.103 337 2HB SER 45 2HB SER 45 -7.276 4.974 -10.877 338 HG SER 45 HG SER 45 -4.915 4.290 -9.550 339 H ALA 46 H ALA 46 -6.274 5.385 -7.206 340 HA ALA 46 HA ALA 46 -8.340 7.389 -7.542 341 1HB ALA 46 1HB ALA 46 -7.888 6.392 -4.744 342 2HB ALA 46 2HB ALA 46 -9.318 7.176 -5.457 343 3HB ALA 46 3HB ALA 46 -8.972 5.466 -5.810 344 H VAL 47 H VAL 47 -7.440 9.391 -7.344 345 HA VAL 47 HA VAL 47 -4.665 9.591 -6.860 346 HB VAL 47 HB VAL 47 -6.899 11.586 -7.216 347 1HG1 VAL 47 1HG1 VAL 47 -5.148 12.591 -5.794 348 2HG1 VAL 47 2HG1 VAL 47 -3.926 12.177 -7.020 349 3HG1 VAL 47 3HG1 VAL 47 -5.213 13.344 -7.405 350 1HG2 VAL 47 1HG2 VAL 47 -6.393 11.583 -9.424 351 2HG2 VAL 47 2HG2 VAL 47 -4.648 11.383 -9.137 352 3HG2 VAL 47 3HG2 VAL 47 -5.730 9.973 -9.057 353 H VAL 48 H VAL 48 -3.580 9.760 -4.967 354 HA VAL 48 HA VAL 48 -5.038 10.864 -2.682 355 HB VAL 48 HB VAL 48 -4.536 9.098 -1.280 356 1HG1 VAL 48 1HG1 VAL 48 -5.669 7.293 -2.176 357 2HG1 VAL 48 2HG1 VAL 48 -6.146 8.592 -3.297 358 3HG1 VAL 48 3HG1 VAL 48 -4.873 7.437 -3.762 359 1HG2 VAL 48 1HG2 VAL 48 -2.603 7.975 -3.336 360 2HG2 VAL 48 2HG2 VAL 48 -2.139 8.929 -1.907 361 3HG2 VAL 48 3HG2 VAL 48 -2.914 7.339 -1.703 362 H GLN 49 H GLN 49 -3.445 11.439 -0.866 363 HA GLN 49 HA GLN 49 -0.991 12.364 -2.144 364 1HB GLN 49 1HB GLN 49 -2.465 13.607 0.219 365 2HB GLN 49 2HB GLN 49 -1.028 14.252 -0.548 366 1HG GLN 49 1HG GLN 49 -2.221 14.647 -2.638 367 2HG GLN 49 2HG GLN 49 -3.623 13.761 -2.074 368 1HE2 GLN 49 1HE2 GLN 49 -4.751 15.723 -2.650 369 2HE2 GLN 49 2HE2 GLN 49 -4.863 17.034 -1.524 370 H LEU 50 H LEU 50 0.860 11.408 -1.425 371 HA LEU 50 HA LEU 50 0.730 9.726 0.894 372 1HB LEU 50 1HB LEU 50 1.936 9.310 -1.337 373 2HB LEU 50 2HB LEU 50 3.179 10.383 -0.723 374 HG LEU 50 HG LEU 50 3.844 8.114 -0.329 375 1HD1 LEU 50 1HD1 LEU 50 4.246 9.901 1.439 376 2HD1 LEU 50 2HD1 LEU 50 2.934 9.132 2.366 377 3HD1 LEU 50 3HD1 LEU 50 4.399 8.205 1.958 378 1HD2 LEU 50 1HD2 LEU 50 2.167 6.986 1.545 379 2HD2 LEU 50 2HD2 LEU 50 1.034 7.762 0.412 380 3HD2 LEU 50 3HD2 LEU 50 2.224 6.584 -0.189 381 H TYR 51 H TYR 51 1.128 10.343 2.947 382 HA TYR 51 HA TYR 51 2.880 12.673 3.320 383 1HB TYR 51 1HB TYR 51 0.094 11.938 4.325 384 2HB TYR 51 2HB TYR 51 1.128 12.857 5.400 385 HD1 TYR 51 1HD TYR 51 -0.888 12.949 2.354 386 HD2 TYR 51 2HD TYR 51 1.827 15.162 4.812 387 HE1 TYR 51 1HE TYR 51 -1.579 15.103 1.192 388 HE2 TYR 51 2HE TYR 51 1.126 17.307 3.642 389 HH TYR 51 HH TYR 51 -1.268 17.939 2.323 390 H ALA 52 H ALA 52 3.943 12.750 5.449 391 HA ALA 52 HA ALA 52 4.050 10.100 6.717 392 1HB ALA 52 1HB ALA 52 6.525 11.701 6.802 393 2HB ALA 52 2HB ALA 52 6.291 9.978 6.421 394 3HB ALA 52 3HB ALA 52 6.049 11.210 5.159 395 H ALA 53 H ALA 53 3.815 10.114 8.919 396 HA ALA 53 HA ALA 53 3.245 12.661 10.134 397 1HB ALA 53 1HB ALA 53 2.858 9.767 10.734 398 2HB ALA 53 2HB ALA 53 3.041 10.844 12.140 399 3HB ALA 53 3HB ALA 53 1.747 11.141 10.953 400 H ASP 54 H ASP 54 5.252 13.775 10.169 401 HA ASP 54 HA ASP 54 6.906 12.939 12.335 402 1HB ASP 54 1HB ASP 54 7.666 12.211 9.709 403 2HB ASP 54 2HB ASP 54 8.621 13.638 10.051 404 H ARG 55 H ARG 55 9.027 14.725 12.068 405 HA ARG 55 HA ARG 55 9.621 16.797 12.195 406 1HB ARG 55 1HB ARG 55 8.423 16.710 9.745 407 2HB ARG 55 2HB ARG 55 7.384 17.896 10.508 408 1HG ARG 55 1HG ARG 55 9.052 19.492 10.634 409 2HG ARG 55 2HG ARG 55 10.310 18.313 10.946 410 1HD ARG 55 1HD ARG 55 10.917 18.331 8.758 411 2HD ARG 55 2HD ARG 55 9.305 17.838 8.278 412 HE ARG 55 HE ARG 55 9.078 20.571 8.866 413 1HH1 ARG 55 2HH2 ARG 55 10.965 18.604 6.641 414 2HH1 ARG 55 1HH2 ARG 55 11.085 19.848 5.442 415 1HH2 ARG 55 2HH1 ARG 55 9.237 22.213 7.284 416 2HH2 ARG 55 1HH1 ARG 55 10.094 21.914 5.810 417 H ASN 56 H ASN 56 8.635 16.420 14.466 418 HA ASN 56 HA ASN 56 7.679 17.330 16.195 419 1HB ASN 56 1HB ASN 56 7.588 19.483 14.307 420 2HB ASN 56 2HB ASN 56 5.995 19.424 15.034 421 1HD2 ASN 56 1HD2 ASN 56 8.442 21.215 15.251 422 2HD2 ASN 56 2HD2 ASN 56 8.704 21.424 16.951 423 H CYS 57 H CYS 57 6.403 15.328 14.323 424 HA CYS 57 HA CYS 57 4.541 14.176 14.179 425 1HB CYS 57 1HB CYS 57 3.934 15.821 16.599 426 2HB CYS 57 2HB CYS 57 2.596 14.983 15.838 427 HG CYS 57 HG CYS 57 5.359 13.309 16.000 428 H MET 58 H MET 58 4.684 15.515 12.035 429 HA MET 58 HA MET 58 2.088 16.698 11.672 430 1HB MET 58 1HB MET 58 4.600 18.225 11.796 431 2HB MET 58 2HB MET 58 3.873 18.390 10.211 432 1HG MET 58 1HG MET 58 2.369 18.857 12.831 433 2HG MET 58 2HG MET 58 3.100 20.135 11.880 434 1HE MET 58 1HE MET 58 1.925 21.451 10.504 435 2HE MET 58 2HE MET 58 2.297 20.454 9.078 436 3HE MET 58 3HE MET 58 0.634 21.024 9.355 437 H TRP 59 H TRP 59 1.210 15.881 9.815 438 HA TRP 59 HA TRP 59 2.457 14.037 8.242 439 1HB TRP 59 1HB TRP 59 0.302 15.902 7.253 440 2HB TRP 59 2HB TRP 59 0.636 14.263 6.729 441 HD1 TRP 59 HD TRP 59 -1.504 16.130 9.150 442 HE1 TRP 59 1HE TRP 59 -2.830 14.546 10.792 443 HE3 TRP 59 3HE TRP 59 1.122 11.917 8.049 444 HZ2 TRP 59 2HZ TRP 59 -2.637 11.772 11.432 445 HZ3 TRP 59 3HZ TRP 59 0.488 9.813 9.227 446 HH2 TRP 59 HH TRP 59 -1.320 9.697 10.867 447 H SER 60 H SER 60 4.081 14.142 6.744 448 HA SER 60 HA SER 60 4.667 16.802 5.704 449 1HB SER 60 1HB SER 60 6.427 14.465 6.462 450 2HB SER 60 2HB SER 60 6.989 15.594 5.244 451 HG SER 60 HG SER 60 7.729 16.484 7.128 452 H LYS 61 H LYS 61 3.866 16.990 3.639 453 HA LYS 61 HA LYS 61 3.127 14.855 2.047 454 1HB LYS 61 1HB LYS 61 2.214 17.047 1.702 455 2HB LYS 61 2HB LYS 61 3.795 17.732 1.382 456 1HG LYS 61 1HG LYS 61 4.015 16.475 -0.692 457 2HG LYS 61 2HG LYS 61 2.603 15.503 -0.325 458 1HD LYS 61 1HD LYS 61 1.332 17.016 -1.435 459 2HD LYS 61 2HD LYS 61 1.688 18.183 -0.177 460 1HE LYS 61 1HE LYS 61 2.553 19.371 -1.961 461 2HE LYS 61 2HE LYS 61 3.986 18.434 -1.583 462 1HZ LYS 61 1HZ LYS 61 3.445 18.287 -3.899 463 2HZ LYS 61 2HZ LYS 61 3.274 16.813 -3.217 464 3HZ LYS 61 3HZ LYS 61 1.954 17.705 -3.578 465 H LYS 62 H LYS 62 4.140 13.579 0.527 466 HA LYS 62 HA LYS 62 7.035 14.017 0.301 467 1HB LYS 62 1HB LYS 62 5.552 11.745 1.131 468 2HB LYS 62 2HB LYS 62 6.216 11.357 -0.443 469 1HG LYS 62 1HG LYS 62 8.471 12.280 0.439 470 2HG LYS 62 2HG LYS 62 7.739 12.279 2.031 471 1HD LYS 62 1HD LYS 62 7.448 9.745 0.459 472 2HD LYS 62 2HD LYS 62 9.074 10.135 0.982 473 1HE LYS 62 1HE LYS 62 7.279 10.631 3.196 474 2HE LYS 62 2HE LYS 62 6.915 9.044 2.548 475 1HZ LYS 62 1HZ LYS 62 8.663 8.964 4.183 476 2HZ LYS 62 2HZ LYS 62 9.240 8.493 2.730 477 3HZ LYS 62 3HZ LYS 62 9.597 9.978 3.308 478 H CYS 63 H CYS 63 3.989 13.175 -1.420 479 HA CYS 63 HA CYS 63 4.359 14.624 -3.612 480 1HB CYS 63 1HB CYS 63 6.276 12.405 -3.688 481 2HB CYS 63 2HB CYS 63 5.232 12.442 -5.096 482 HG CYS 63 HG CYS 63 6.818 13.914 -6.135 483 H SER 64 H SER 64 2.216 14.571 -4.190 484 HA SER 64 HA SER 64 0.837 12.044 -3.879 485 1HB SER 64 1HB SER 64 -0.392 14.757 -4.512 486 2HB SER 64 2HB SER 64 -1.213 13.336 -3.896 487 HG SER 64 HG SER 64 -0.050 15.326 -2.488 488 H GLY 65 H GLY 65 -1.021 11.733 -5.646 489 1HA GLY 65 1HA GLY 65 -0.945 12.765 -8.173 490 2HA GLY 65 2HA GLY 65 0.313 11.544 -8.179 491 H VAL 66 H VAL 66 -0.969 10.299 -9.730 492 HA VAL 66 HA VAL 66 -3.490 9.258 -8.741 493 HB VAL 66 HB VAL 66 -2.161 8.471 -11.310 494 1HG1 VAL 66 1HG1 VAL 66 -4.124 7.414 -11.503 495 2HG1 VAL 66 2HG1 VAL 66 -4.802 8.262 -10.093 496 3HG1 VAL 66 3HG1 VAL 66 -4.872 9.017 -11.704 497 1HG2 VAL 66 1HG2 VAL 66 -1.929 10.661 -11.823 498 2HG2 VAL 66 2HG2 VAL 66 -3.686 10.586 -12.095 499 3HG2 VAL 66 3HG2 VAL 66 -3.050 11.190 -10.546 500 H ALA 67 H ALA 67 -3.580 7.447 -7.524 501 HA ALA 67 HA ALA 67 -1.305 5.600 -7.744 502 1HB ALA 67 1HB ALA 67 -2.200 6.959 -5.531 503 2HB ALA 67 2HB ALA 67 -3.087 5.423 -5.386 504 3HB ALA 67 3HB ALA 67 -1.309 5.420 -5.481 505 H CYS 68 H CYS 68 -1.911 3.252 -7.316 506 HA CYS 68 HA CYS 68 -4.658 2.612 -7.890 507 1HB CYS 68 1HB CYS 68 -4.481 1.839 -10.004 508 2HB CYS 68 2HB CYS 68 -3.130 2.951 -10.102 509 HG CYS 68 HG CYS 68 -2.285 0.808 -11.191 510 H LEU 69 H LEU 69 -5.158 0.527 -7.063 511 HA LEU 69 HA LEU 69 -2.957 -0.711 -5.594 512 1HB LEU 69 1HB LEU 69 -4.776 -0.072 -4.216 513 2HB LEU 69 2HB LEU 69 -5.954 -0.785 -5.300 514 HG LEU 69 HG LEU 69 -3.930 -2.640 -4.159 515 1HD1 LEU 69 1HD1 LEU 69 -5.459 -0.875 -2.461 516 2HD1 LEU 69 2HD1 LEU 69 -5.953 -2.568 -2.214 517 3HD1 LEU 69 3HD1 LEU 69 -4.244 -2.102 -2.030 518 1HD2 LEU 69 1HD2 LEU 69 -6.279 -3.857 -3.814 519 2HD2 LEU 69 2HD2 LEU 69 -6.762 -2.701 -5.080 520 3HD2 LEU 69 3HD2 LEU 69 -5.427 -3.841 -5.377 521 H VAL 70 H VAL 70 -1.915 -2.315 -6.643 522 HA VAL 70 HA VAL 70 -3.502 -3.933 -8.502 523 HB VAL 70 HB VAL 70 -1.086 -4.616 -9.196 524 1HG1 VAL 70 1HG1 VAL 70 -2.550 -3.466 -10.705 525 2HG1 VAL 70 2HG1 VAL 70 -2.355 -1.934 -9.823 526 3HG1 VAL 70 3HG1 VAL 70 -0.985 -2.618 -10.728 527 1HG2 VAL 70 1HG2 VAL 70 0.676 -3.170 -8.711 528 2HG2 VAL 70 2HG2 VAL 70 -0.407 -1.855 -8.196 529 3HG2 VAL 70 3HG2 VAL 70 -0.179 -3.279 -7.153 530 H LYS 71 H LYS 71 -3.130 -6.285 -8.506 531 HA LYS 71 HA LYS 71 -1.994 -7.286 -6.008 532 1HB LYS 71 1HB LYS 71 -4.213 -7.234 -5.328 533 2HB LYS 71 2HB LYS 71 -4.836 -7.574 -6.930 534 1HG LYS 71 1HG LYS 71 -3.082 -9.705 -5.788 535 2HG LYS 71 2HG LYS 71 -4.590 -9.454 -4.930 536 1HD LYS 71 1HD LYS 71 -4.478 -9.796 -7.958 537 2HD LYS 71 2HD LYS 71 -4.635 -11.159 -6.868 538 1HE LYS 71 1HE LYS 71 -6.745 -10.305 -5.978 539 2HE LYS 71 2HE LYS 71 -6.546 -8.779 -6.818 540 1HZ LYS 71 1HZ LYS 71 -7.608 -11.181 -7.789 541 2HZ LYS 71 2HZ LYS 71 -7.608 -9.705 -8.489 542 3HZ LYS 71 3HZ LYS 71 -6.356 -10.724 -8.732 543 H ASP 72 H ASP 72 -0.520 -8.824 -6.464 544 HA ASP 72 HA ASP 72 -0.345 -9.778 -9.119 545 1HB ASP 72 1HB ASP 72 1.260 -9.817 -6.653 546 2HB ASP 72 2HB ASP 72 1.331 -11.359 -7.481 547 H ASN 73 H ASN 73 -1.421 -11.602 -9.892 548 HA ASN 73 HA ASN 73 -2.914 -13.175 -8.086 549 1HB ASN 73 1HB ASN 73 -2.384 -14.064 -10.930 550 2HB ASN 73 2HB ASN 73 -3.883 -14.122 -10.023 551 1HD2 ASN 73 1HD2 ASN 73 -3.673 -13.160 -12.623 552 2HD2 ASN 73 2HD2 ASN 73 -4.038 -11.467 -12.660 553 HA PRO 74 HA PRO 74 0.487 -16.267 -9.436 554 1HB PRO 74 1HB PRO 74 2.749 -15.307 -10.632 555 2HB PRO 74 2HB PRO 74 1.394 -15.961 -11.531 556 1HG PRO 74 1HG PRO 74 2.199 -13.137 -11.182 557 2HG PRO 74 2HG PRO 74 1.136 -13.835 -12.388 558 1HD PRO 74 1HD PRO 74 0.351 -12.344 -10.068 559 2HD PRO 74 2HD PRO 74 -0.712 -13.140 -11.212 560 H GLN 75 H GLN 75 1.812 -13.147 -8.517 561 HA GLN 75 HA GLN 75 3.678 -14.409 -6.785 562 1HB GLN 75 1HB GLN 75 3.235 -11.778 -7.882 563 2HB GLN 75 2HB GLN 75 3.349 -11.626 -6.140 564 1HG GLN 75 1HG GLN 75 5.459 -13.157 -6.330 565 2HG GLN 75 2HG GLN 75 5.397 -12.819 -8.048 566 1HE2 GLN 75 1HE2 GLN 75 7.603 -12.044 -7.047 567 2HE2 GLN 75 2HE2 GLN 75 7.707 -10.344 -6.729 568 H ARG 76 H ARG 76 0.386 -14.139 -6.620 569 HA ARG 76 HA ARG 76 -1.109 -13.868 -5.039 570 1HB ARG 76 1HB ARG 76 0.946 -15.573 -3.542 571 2HB ARG 76 2HB ARG 76 -0.735 -15.418 -3.070 572 1HG ARG 76 1HG ARG 76 -1.511 -16.693 -4.860 573 2HG ARG 76 2HG ARG 76 -0.211 -16.198 -5.924 574 1HD ARG 76 1HD ARG 76 0.202 -18.515 -5.403 575 2HD ARG 76 2HD ARG 76 1.383 -17.598 -4.489 576 HE ARG 76 HE ARG 76 0.319 -18.230 -2.487 577 1HH1 ARG 76 2HH2 ARG 76 -1.746 -19.006 -5.230 578 2HH1 ARG 76 1HH2 ARG 76 -2.871 -19.925 -4.285 579 1HH2 ARG 76 2HH1 ARG 76 -1.165 -19.442 -1.242 580 2HH2 ARG 76 1HH1 ARG 76 -2.538 -20.174 -2.002 581 H SER 77 H SER 77 0.458 -11.545 -5.065 582 HA SER 77 HA SER 77 0.334 -10.847 -2.268 583 1HB SER 77 1HB SER 77 2.532 -9.638 -2.412 584 2HB SER 77 2HB SER 77 2.687 -11.380 -2.514 585 HG SER 77 HG SER 77 3.979 -10.503 -4.152 586 H TYR 78 H TYR 78 0.394 -8.380 -1.998 587 HA TYR 78 HA TYR 78 -0.846 -7.163 -4.367 588 1HB TYR 78 1HB TYR 78 -0.859 -6.507 -1.353 589 2HB TYR 78 2HB TYR 78 -1.790 -5.631 -2.552 590 HD1 TYR 78 1HD TYR 78 -1.471 -8.839 -0.743 591 HD2 TYR 78 2HD TYR 78 -3.857 -6.521 -3.433 592 HE1 TYR 78 1HE TYR 78 -3.410 -10.454 -0.427 593 HE2 TYR 78 2HE TYR 78 -5.788 -8.144 -3.108 594 HH TYR 78 HH TYR 78 -6.199 -10.002 -0.745 595 H PHE 79 H PHE 79 -0.485 -4.734 -4.564 596 HA PHE 79 HA PHE 79 2.004 -3.816 -3.419 597 1HB PHE 79 1HB PHE 79 1.419 -4.272 -6.401 598 2HB PHE 79 2HB PHE 79 2.706 -3.210 -5.867 599 HD1 PHE 79 1HD PHE 79 1.555 -6.712 -5.917 600 HD2 PHE 79 2HD PHE 79 4.784 -4.084 -5.091 601 HE1 PHE 79 1HE PHE 79 3.115 -8.673 -5.775 602 HE2 PHE 79 2HE PHE 79 6.344 -6.045 -4.951 603 HZ PHE 79 HZ PHE 79 5.491 -8.317 -5.295 604 H LEU 80 H LEU 80 1.949 -1.621 -3.058 605 HA LEU 80 HA LEU 80 -0.198 -0.156 -4.428 606 1HB LEU 80 1HB LEU 80 0.273 -0.596 -1.611 607 2HB LEU 80 2HB LEU 80 0.342 1.114 -1.985 608 HG LEU 80 HG LEU 80 -1.959 -0.617 -2.896 609 1HD1 LEU 80 1HD1 LEU 80 -3.150 0.412 -0.858 610 2HD1 LEU 80 2HD1 LEU 80 -2.069 -0.978 -0.595 611 3HD1 LEU 80 3HD1 LEU 80 -1.512 0.668 -0.209 612 1HD2 LEU 80 1HD2 LEU 80 -1.341 2.295 -2.849 613 2HD2 LEU 80 2HD2 LEU 80 -2.221 1.321 -4.051 614 3HD2 LEU 80 3HD2 LEU 80 -3.022 1.802 -2.535 615 H ARG 81 H ARG 81 0.609 1.329 -5.799 616 HA ARG 81 HA ARG 81 3.038 2.666 -4.938 617 1HB ARG 81 1HB ARG 81 2.475 1.821 -7.824 618 2HB ARG 81 2HB ARG 81 3.938 2.583 -7.232 619 1HG ARG 81 1HG ARG 81 4.182 0.541 -5.649 620 2HG ARG 81 2HG ARG 81 2.923 -0.220 -6.603 621 1HD ARG 81 1HD ARG 81 4.292 -0.491 -8.458 622 2HD ARG 81 2HD ARG 81 5.172 0.996 -8.165 623 HE ARG 81 HE ARG 81 6.667 -0.164 -6.742 624 1HH1 ARG 81 2HH2 ARG 81 3.961 -2.229 -7.636 625 2HH1 ARG 81 1HH2 ARG 81 4.700 -3.675 -7.033 626 1HH2 ARG 81 2HH1 ARG 81 7.642 -2.071 -5.946 627 2HH2 ARG 81 1HH1 ARG 81 6.808 -3.584 -6.065 628 H ILE 82 H ILE 82 3.271 4.883 -5.819 629 HA ILE 82 HA ILE 82 0.734 5.920 -6.878 630 HB ILE 82 HB ILE 82 2.532 6.979 -4.717 631 1HG1 ILE 82 1HG1 ILE 82 -0.462 6.993 -4.663 632 2HG1 ILE 82 2HG1 ILE 82 0.366 5.461 -4.465 633 1HG2 ILE 82 1HG2 ILE 82 2.308 9.052 -5.484 634 2HG2 ILE 82 2HG2 ILE 82 1.203 8.529 -6.777 635 3HG2 ILE 82 3HG2 ILE 82 0.564 8.910 -5.160 636 1HD1 ILE 82 1HD1 ILE 82 0.480 6.065 -2.262 637 2HD1 ILE 82 2HD1 ILE 82 1.852 7.071 -2.787 638 3HD1 ILE 82 3HD1 ILE 82 0.231 7.789 -2.626 639 H PHE 83 H PHE 83 0.855 7.243 -8.667 640 HA PHE 83 HA PHE 83 3.580 7.764 -9.630 641 1HB PHE 83 1HB PHE 83 1.457 7.831 -11.653 642 2HB PHE 83 2HB PHE 83 2.863 6.787 -11.604 643 HD1 PHE 83 1HD PHE 83 2.528 5.007 -9.444 644 HD2 PHE 83 2HD PHE 83 -0.482 6.639 -11.950 645 HE1 PHE 83 1HE PHE 83 1.049 3.040 -8.948 646 HE2 PHE 83 2HE PHE 83 -1.961 4.673 -11.455 647 HZ PHE 83 HZ PHE 83 -1.178 2.897 -9.960 648 H ASP 84 H ASP 84 4.033 9.812 -10.532 649 HA ASP 84 HA ASP 84 2.395 11.875 -9.542 650 1HB ASP 84 1HB ASP 84 4.974 11.826 -9.957 651 2HB ASP 84 2HB ASP 84 4.589 12.173 -11.632 652 H ILE 85 H ILE 85 1.538 13.687 -11.024 653 HA ILE 85 HA ILE 85 0.476 12.489 -13.480 654 HB ILE 85 HB ILE 85 -1.232 13.050 -11.916 655 1HG1 ILE 85 1HG1 ILE 85 -1.237 15.263 -13.979 656 2HG1 ILE 85 2HG1 ILE 85 -1.495 13.581 -14.398 657 1HG2 ILE 85 1HG2 ILE 85 -1.195 15.841 -11.658 658 2HG2 ILE 85 2HG2 ILE 85 -0.886 14.627 -10.394 659 3HG2 ILE 85 3HG2 ILE 85 0.470 15.310 -11.324 660 1HD1 ILE 85 1HD1 ILE 85 -3.264 15.454 -12.869 661 2HD1 ILE 85 2HD1 ILE 85 -3.697 14.169 -14.022 662 3HD1 ILE 85 3HD1 ILE 85 -3.260 13.753 -12.347 663 H LYS 86 H LYS 86 2.863 14.594 -12.297 664 HA LYS 86 HA LYS 86 2.804 16.135 -14.797 665 1HB LYS 86 1HB LYS 86 3.295 16.877 -12.003 666 2HB LYS 86 2HB LYS 86 4.562 17.423 -13.083 667 1HG LYS 86 1HG LYS 86 1.637 17.826 -13.805 668 2HG LYS 86 2HG LYS 86 2.455 18.950 -12.737 669 1HD LYS 86 1HD LYS 86 3.244 20.012 -14.579 670 2HD LYS 86 2HD LYS 86 4.262 18.617 -14.876 671 1HE LYS 86 1HE LYS 86 3.095 18.193 -16.773 672 2HE LYS 86 2HE LYS 86 1.665 17.887 -15.809 673 1HZ LYS 86 1HZ LYS 86 1.208 19.625 -17.318 674 2HZ LYS 86 2HZ LYS 86 1.279 20.302 -15.835 675 3HZ LYS 86 3HZ LYS 86 2.525 20.483 -16.875 676 H ASP 87 H ASP 87 4.759 14.156 -12.529 677 HA ASP 87 HA ASP 87 6.951 14.276 -14.405 678 1HB ASP 87 1HB ASP 87 6.589 13.619 -11.537 679 2HB ASP 87 2HB ASP 87 7.674 12.515 -12.358 680 H GLY 88 H GLY 88 4.153 12.420 -13.635 681 1HA GLY 88 1HA GLY 88 3.459 10.320 -14.089 682 2HA GLY 88 2HA GLY 88 4.332 10.552 -15.590 683 H LYS 89 H LYS 89 5.902 10.499 -12.367 684 HA LYS 89 HA LYS 89 7.073 7.908 -13.106 685 1HB LYS 89 1HB LYS 89 8.354 10.440 -12.146 686 2HB LYS 89 2HB LYS 89 9.038 8.912 -11.631 687 1HG LYS 89 1HG LYS 89 8.370 9.032 -14.530 688 2HG LYS 89 2HG LYS 89 9.608 10.166 -14.032 689 1HD LYS 89 1HD LYS 89 11.152 8.515 -13.748 690 2HD LYS 89 2HD LYS 89 10.044 7.535 -12.806 691 1HE LYS 89 1HE LYS 89 10.678 6.344 -14.875 692 2HE LYS 89 2HE LYS 89 8.966 6.712 -14.897 693 1HZ LYS 89 1HZ LYS 89 10.530 8.797 -16.012 694 2HZ LYS 89 2HZ LYS 89 10.742 7.385 -16.804 695 3HZ LYS 89 3HZ LYS 89 9.244 8.015 -16.644 696 H LEU 90 H LEU 90 8.121 6.890 -10.981 697 HA LEU 90 HA LEU 90 5.935 6.451 -9.247 698 1HB LEU 90 1HB LEU 90 8.539 5.329 -9.792 699 2HB LEU 90 2HB LEU 90 8.278 5.456 -8.064 700 HG LEU 90 HG LEU 90 6.352 4.108 -9.975 701 1HD1 LEU 90 1HD1 LEU 90 7.848 2.460 -10.092 702 2HD1 LEU 90 2HD1 LEU 90 8.853 3.163 -8.803 703 3HD1 LEU 90 3HD1 LEU 90 7.461 2.136 -8.385 704 1HD2 LEU 90 1HD2 LEU 90 4.986 4.471 -8.215 705 2HD2 LEU 90 2HD2 LEU 90 5.822 3.044 -7.556 706 3HD2 LEU 90 3HD2 LEU 90 6.331 4.677 -7.067 707 H LEU 91 H LEU 91 5.377 7.395 -7.336 708 HA LEU 91 HA LEU 91 7.266 9.402 -6.320 709 1HB LEU 91 1HB LEU 91 4.250 9.359 -6.361 710 2HB LEU 91 2HB LEU 91 5.180 10.471 -5.376 711 HG LEU 91 HG LEU 91 5.282 10.289 -8.400 712 1HD1 LEU 91 1HD1 LEU 91 3.183 11.206 -7.842 713 2HD1 LEU 91 2HD1 LEU 91 3.868 12.187 -6.523 714 3HD1 LEU 91 3HD1 LEU 91 4.229 12.597 -8.217 715 1HD2 LEU 91 1HD2 LEU 91 6.394 12.689 -7.760 716 2HD2 LEU 91 2HD2 LEU 91 6.979 11.670 -6.421 717 3HD2 LEU 91 3HD2 LEU 91 7.312 11.203 -8.107 718 H TRP 92 H TRP 92 5.356 6.514 -5.694 719 HA TRP 92 HA TRP 92 6.729 6.128 -3.227 720 1HB TRP 92 1HB TRP 92 5.134 7.595 -2.285 721 2HB TRP 92 2HB TRP 92 3.811 6.876 -3.181 722 HD1 TRP 92 HD TRP 92 6.088 6.109 -0.145 723 HE1 TRP 92 1HE TRP 92 4.988 4.302 1.431 724 HE3 TRP 92 3HE TRP 92 2.183 5.043 -3.221 725 HZ2 TRP 92 2HZ TRP 92 2.659 2.665 1.218 726 HZ3 TRP 92 3HZ TRP 92 0.541 3.328 -2.462 727 HH2 TRP 92 HH TRP 92 0.731 2.156 -0.326 728 H GLU 93 H GLU 93 6.671 3.897 -2.674 729 HA GLU 93 HA GLU 93 4.779 2.231 -4.024 730 1HB GLU 93 1HB GLU 93 6.581 0.779 -5.039 731 2HB GLU 93 2HB GLU 93 6.417 2.352 -5.793 732 1HG GLU 93 1HG GLU 93 8.315 2.348 -3.516 733 2HG GLU 93 2HG GLU 93 8.791 1.266 -4.810 734 H GLN 94 H GLN 94 4.184 0.632 -2.614 735 HA GLN 94 HA GLN 94 6.184 -0.147 -0.644 736 1HB GLN 94 1HB GLN 94 3.912 1.353 -0.055 737 2HB GLN 94 2HB GLN 94 3.387 -0.279 0.305 738 1HG GLN 94 1HG GLN 94 5.892 1.076 1.410 739 2HG GLN 94 2HG GLN 94 4.411 0.779 2.299 740 1HE2 GLN 94 1HE2 GLN 94 3.648 -1.523 2.323 741 2HE2 GLN 94 2HE2 GLN 94 4.831 -2.767 2.558 742 H GLU 95 H GLU 95 6.345 -2.366 -0.257 743 HA GLU 95 HA GLU 95 4.836 -3.988 -2.081 744 1HB GLU 95 1HB GLU 95 7.367 -4.218 -0.558 745 2HB GLU 95 2HB GLU 95 6.457 -5.714 -0.628 746 1HG GLU 95 1HG GLU 95 6.658 -5.903 -2.943 747 2HG GLU 95 2HG GLU 95 6.711 -4.169 -3.194 748 H LEU 96 H LEU 96 2.704 -3.982 -1.196 749 HA LEU 96 HA LEU 96 1.907 -4.191 1.348 750 1HB LEU 96 1HB LEU 96 0.825 -5.397 -1.178 751 2HB LEU 96 2HB LEU 96 0.018 -5.670 0.354 752 HG LEU 96 HG LEU 96 0.476 -3.025 -1.042 753 1HD1 LEU 96 1HD1 LEU 96 -1.431 -3.738 -2.016 754 2HD1 LEU 96 2HD1 LEU 96 -1.815 -4.872 -0.700 755 3HD1 LEU 96 3HD1 LEU 96 -2.166 -3.138 -0.510 756 1HD2 LEU 96 1HD2 LEU 96 -0.916 -2.133 0.943 757 2HD2 LEU 96 2HD2 LEU 96 -0.354 -3.590 1.796 758 3HD2 LEU 96 3HD2 LEU 96 0.827 -2.413 1.174 759 H TYR 97 H TYR 97 1.584 -5.795 2.933 760 HA TYR 97 HA TYR 97 3.384 -8.057 2.634 761 1HB TYR 97 1HB TYR 97 1.609 -7.363 5.021 762 2HB TYR 97 2HB TYR 97 3.222 -8.050 5.049 763 HD1 TYR 97 1HD TYR 97 1.520 -5.265 5.986 764 HD2 TYR 97 2HD TYR 97 4.954 -6.308 3.657 765 HE1 TYR 97 1HE TYR 97 2.502 -2.954 6.386 766 HE2 TYR 97 2HE TYR 97 5.925 -3.994 4.066 767 HH TYR 97 HH TYR 97 4.669 -1.902 6.419 768 H ASN 98 H ASN 98 2.674 -10.237 3.433 769 HA ASN 98 HA ASN 98 0.601 -11.181 1.993 770 1HB ASN 98 1HB ASN 98 2.442 -12.476 3.267 771 2HB ASN 98 2HB ASN 98 1.444 -12.328 4.702 772 1HD2 ASN 98 1HD2 ASN 98 -0.813 -13.082 4.530 773 2HD2 ASN 98 2HD2 ASN 98 -1.154 -14.508 3.608 774 H ASN 99 H ASN 99 0.636 -10.743 5.622 775 HA ASN 99 HA ASN 99 -2.242 -10.735 5.580 776 1HB ASN 99 1HB ASN 99 -1.999 -10.762 8.087 777 2HB ASN 99 2HB ASN 99 -1.123 -12.075 7.325 778 1HD2 ASN 99 1HD2 ASN 99 -0.503 -11.291 9.845 779 2HD2 ASN 99 2HD2 ASN 99 1.048 -10.522 9.904 780 H PHE 100 H PHE 100 -1.412 -8.493 4.250 781 HA PHE 100 HA PHE 100 -0.747 -6.311 5.904 782 1HB PHE 100 1HB PHE 100 -0.321 -6.421 3.452 783 2HB PHE 100 2HB PHE 100 -2.027 -6.655 3.131 784 HD1 PHE 100 1HD PHE 100 0.324 -4.180 4.624 785 HD2 PHE 100 2HD PHE 100 -3.353 -4.823 2.607 786 HE1 PHE 100 1HE PHE 100 0.032 -1.701 4.367 787 HE2 PHE 100 2HE PHE 100 -3.646 -2.343 2.350 788 HZ PHE 100 HZ PHE 100 -1.950 -0.812 3.233 789 H VAL 101 H VAL 101 -2.034 -4.592 6.703 790 HA VAL 101 HA VAL 101 -4.926 -5.094 6.590 791 HB VAL 101 HB VAL 101 -4.108 -5.807 8.736 792 1HG1 VAL 101 1HG1 VAL 101 -2.243 -4.914 9.575 793 2HG1 VAL 101 2HG1 VAL 101 -2.340 -3.530 8.460 794 3HG1 VAL 101 3HG1 VAL 101 -3.195 -3.478 10.019 795 1HG2 VAL 101 1HG2 VAL 101 -5.376 -4.263 10.224 796 2HG2 VAL 101 2HG2 VAL 101 -5.494 -3.110 8.874 797 3HG2 VAL 101 3HG2 VAL 101 -6.266 -4.709 8.748 798 H TYR 102 H TYR 102 -6.257 -3.127 6.829 799 HA TYR 102 HA TYR 102 -4.756 -0.736 5.996 800 1HB TYR 102 1HB TYR 102 -6.624 -2.275 4.591 801 2HB TYR 102 2HB TYR 102 -7.682 -1.118 5.373 802 HD1 TYR 102 1HD TYR 102 -4.230 -0.494 4.100 803 HD2 TYR 102 2HD TYR 102 -8.418 0.182 3.546 804 HE1 TYR 102 1HE TYR 102 -3.721 1.206 2.278 805 HE2 TYR 102 2HE TYR 102 -7.896 1.879 1.726 806 HH TYR 102 HH TYR 102 -6.232 3.209 0.932 807 H ASN 103 H ASN 103 -4.747 0.754 7.603 808 HA ASN 103 HA ASN 103 -6.900 0.668 9.511 809 1HB ASN 103 1HB ASN 103 -4.524 2.588 9.490 810 2HB ASN 103 2HB ASN 103 -5.500 2.125 10.869 811 1HD2 ASN 103 1HD2 ASN 103 -2.640 1.961 10.517 812 2HD2 ASN 103 2HD2 ASN 103 -2.171 0.305 10.714 813 H SER 104 H SER 104 -8.106 2.702 10.058 814 HA SER 104 HA SER 104 -7.766 5.005 8.508 815 1HB SER 104 1HB SER 104 -8.767 3.874 6.664 816 2HB SER 104 2HB SER 104 -9.943 3.063 7.679 817 HG SER 104 HG SER 104 -10.966 5.136 8.068 818 HA PRO 105 HA PRO 105 -9.999 5.635 12.329 819 1HB PRO 105 1HB PRO 105 -8.775 7.977 13.025 820 2HB PRO 105 2HB PRO 105 -8.179 6.403 13.513 821 1HG PRO 105 1HG PRO 105 -7.120 8.223 11.439 822 2HG PRO 105 2HG PRO 105 -6.324 6.876 12.227 823 1HD PRO 105 1HD PRO 105 -7.424 6.908 9.579 824 2HD PRO 105 2HD PRO 105 -6.732 5.529 10.410 825 H ARG 106 H ARG 106 -9.809 7.349 9.442 826 HA ARG 106 HA ARG 106 -12.305 8.621 10.189 827 1HB ARG 106 1HB ARG 106 -9.784 9.941 9.412 828 2HB ARG 106 2HB ARG 106 -11.099 10.393 8.344 829 1HG ARG 106 1HG ARG 106 -11.808 10.371 11.241 830 2HG ARG 106 2HG ARG 106 -10.603 11.562 10.797 831 1HD ARG 106 1HD ARG 106 -12.183 12.284 8.892 832 2HD ARG 106 2HD ARG 106 -13.402 11.255 9.619 833 HE ARG 106 HE ARG 106 -12.537 13.848 10.590 834 1HH1 ARG 106 2HH2 ARG 106 -13.760 10.724 11.651 835 2HH1 ARG 106 1HH2 ARG 106 -14.456 11.348 13.108 836 1HH2 ARG 106 2HH1 ARG 106 -13.454 14.672 12.514 837 2HH2 ARG 106 1HH1 ARG 106 -14.281 13.609 13.603 838 H GLY 107 H GLY 107 -13.898 8.446 8.586 839 1HA GLY 107 1HA GLY 107 -13.476 6.660 6.440 840 2HA GLY 107 2HA GLY 107 -14.894 7.648 6.734 841 H TYR 108 H TYR 108 -11.452 7.945 5.607 842 HA TYR 108 HA TYR 108 -11.873 8.902 3.142 843 1HB TYR 108 1HB TYR 108 -13.146 10.814 3.780 844 2HB TYR 108 2HB TYR 108 -12.387 10.904 5.356 845 HD1 TYR 108 1HD TYR 108 -10.741 12.521 5.775 846 HD2 TYR 108 2HD TYR 108 -11.673 11.489 1.729 847 HE1 TYR 108 1HE TYR 108 -9.256 14.408 4.943 848 HE2 TYR 108 2HE TYR 108 -10.185 13.380 0.912 849 HH TYR 108 HH TYR 108 -9.258 15.376 1.626 850 H PHE 109 H PHE 109 -10.101 9.037 6.182 851 HA PHE 109 HA PHE 109 -7.648 9.461 4.623 852 1HB PHE 109 1HB PHE 109 -8.734 11.095 6.598 853 2HB PHE 109 2HB PHE 109 -7.765 10.019 7.584 854 HD1 PHE 109 1HD PHE 109 -7.740 12.892 5.471 855 HD2 PHE 109 2HD PHE 109 -5.280 9.794 7.008 856 HE1 PHE 109 1HE PHE 109 -5.698 14.257 4.954 857 HE2 PHE 109 2HE PHE 109 -3.239 11.160 6.491 858 HZ PHE 109 HZ PHE 109 -3.472 13.374 5.470 859 H HIS 110 H HIS 110 -6.694 7.480 4.423 860 HA HIS 110 HA HIS 110 -6.890 5.680 6.710 861 1HB HIS 110 1HB HIS 110 -5.856 4.996 3.956 862 2HB HIS 110 2HB HIS 110 -6.404 3.903 5.210 863 HD2 HIS 110 2HD HIS 110 -9.245 6.018 5.544 864 HE1 HIS 110 1HE HIS 110 -10.114 4.104 1.844 865 HE2 HIS 110 2HE HIS 110 -11.058 5.440 3.849 866 H THR 111 H THR 111 -5.012 4.753 7.672 867 HA THR 111 HA THR 111 -2.480 6.013 6.862 868 HB THR 111 HB THR 111 -2.039 6.074 9.419 869 HG1 THR 111 1HG THR 111 -3.738 5.164 10.503 870 1HG2 THR 111 1HG2 THR 111 -3.784 7.850 7.813 871 2HG2 THR 111 2HG2 THR 111 -4.153 7.907 9.554 872 3HG2 THR 111 3HG2 THR 111 -2.510 8.280 8.980 873 H PHE 112 H PHE 112 -0.553 4.800 7.372 874 HA PHE 112 HA PHE 112 -0.865 2.132 8.344 875 1HB PHE 112 1HB PHE 112 -0.288 1.043 6.222 876 2HB PHE 112 2HB PHE 112 -1.628 2.118 5.877 877 HD1 PHE 112 1HD PHE 112 -1.018 4.476 4.981 878 HD2 PHE 112 2HD PHE 112 1.666 1.189 4.966 879 HE1 PHE 112 1HE PHE 112 0.340 5.593 3.189 880 HE2 PHE 112 2HE PHE 112 3.023 2.305 3.174 881 HZ PHE 112 HZ PHE 112 2.343 4.494 2.306 882 H ALA 113 H ALA 113 1.378 0.908 7.942 883 HA ALA 113 HA ALA 113 3.376 2.741 8.915 884 1HB ALA 113 1HB ALA 113 2.891 0.413 9.831 885 2HB ALA 113 2HB ALA 113 3.627 -0.233 8.345 886 3HB ALA 113 3HB ALA 113 4.599 0.754 9.463 887 H GLY 114 H GLY 114 5.167 3.488 7.812 888 1HA GLY 114 1HA GLY 114 5.171 3.002 4.927 889 2HA GLY 114 2HA GLY 114 5.999 4.280 5.795 890 H ASP 115 H ASP 115 7.735 3.360 4.177 891 HA ASP 115 HA ASP 115 8.901 1.015 4.247 892 1HB ASP 115 1HB ASP 115 9.755 3.737 3.766 893 2HB ASP 115 2HB ASP 115 11.053 2.902 4.596 894 H THR 116 H THR 116 10.274 3.673 6.329 895 HA THR 116 HA THR 116 10.648 1.676 8.464 896 HB THR 116 HB THR 116 12.813 2.132 7.432 897 HG1 THR 116 1HG THR 116 13.737 3.249 9.339 898 1HG2 THR 116 1HG2 THR 116 12.533 4.202 6.227 899 2HG2 THR 116 2HG2 THR 116 11.924 5.043 7.672 900 3HG2 THR 116 3HG2 THR 116 13.642 4.595 7.562 901 H CYS 117 H CYS 117 9.046 4.477 7.470 902 HA CYS 117 HA CYS 117 8.657 5.193 10.281 903 1HB CYS 117 1HB CYS 117 8.516 7.546 9.705 904 2HB CYS 117 2HB CYS 117 10.072 6.907 9.211 905 HG CYS 117 HG CYS 117 9.943 7.563 6.948 906 H GLN 118 H GLN 118 6.452 6.244 10.619 907 HA GLN 118 HA GLN 118 4.536 4.755 9.149 908 1HB GLN 118 1HB GLN 118 4.298 5.124 11.577 909 2HB GLN 118 2HB GLN 118 4.224 6.857 11.336 910 1HG GLN 118 1HG GLN 118 2.227 6.037 9.627 911 2HG GLN 118 2HG GLN 118 2.132 4.782 10.847 912 1HE2 GLN 118 1HE2 GLN 118 0.430 5.262 12.029 913 2HE2 GLN 118 2HE2 GLN 118 0.112 6.765 12.829 914 H VAL 119 H VAL 119 3.022 5.493 7.625 915 HA VAL 119 HA VAL 119 3.133 8.342 6.970 916 HB VAL 119 HB VAL 119 3.108 7.663 4.550 917 1HG1 VAL 119 1HG1 VAL 119 5.516 7.215 6.321 918 2HG1 VAL 119 2HG1 VAL 119 5.626 7.119 4.547 919 3HG1 VAL 119 3HG1 VAL 119 5.105 8.633 5.325 920 1HG2 VAL 119 1HG2 VAL 119 2.485 5.289 4.909 921 2HG2 VAL 119 2HG2 VAL 119 3.958 5.470 3.926 922 3HG2 VAL 119 3HG2 VAL 119 4.082 4.999 5.637 923 H ALA 120 H ALA 120 1.202 9.087 5.784 924 HA ALA 120 HA ALA 120 -1.060 7.247 6.157 925 1HB ALA 120 1HB ALA 120 -2.375 9.026 7.019 926 2HB ALA 120 2HB ALA 120 -0.811 9.163 7.859 927 3HB ALA 120 3HB ALA 120 -1.195 10.256 6.507 928 H LEU 121 H LEU 121 -2.930 7.751 4.693 929 HA LEU 121 HA LEU 121 -1.994 9.046 2.229 930 1HB LEU 121 1HB LEU 121 -3.189 7.345 0.951 931 2HB LEU 121 2HB LEU 121 -1.862 6.685 1.887 932 HG LEU 121 HG LEU 121 -4.372 6.546 3.362 933 1HD1 LEU 121 1HD1 LEU 121 -5.777 5.444 1.987 934 2HD1 LEU 121 2HD1 LEU 121 -4.886 6.318 0.718 935 3HD1 LEU 121 3HD1 LEU 121 -4.460 4.634 1.105 936 1HD2 LEU 121 1HD2 LEU 121 -2.009 4.893 2.761 937 2HD2 LEU 121 2HD2 LEU 121 -2.942 5.074 4.266 938 3HD2 LEU 121 3HD2 LEU 121 -3.521 3.982 2.986 939 H ASN 122 H ASN 122 -3.434 10.443 1.242 940 HA ASN 122 HA ASN 122 -6.066 10.563 2.485 941 1HB ASN 122 1HB ASN 122 -4.668 12.426 3.367 942 2HB ASN 122 2HB ASN 122 -4.246 12.913 1.738 943 1HD2 ASN 122 1HD2 ASN 122 -5.637 14.065 0.502 944 2HD2 ASN 122 2HD2 ASN 122 -7.145 14.714 1.057 945 H PHE 123 H PHE 123 -7.589 10.241 0.858 946 HA PHE 123 HA PHE 123 -6.794 10.418 -1.877 947 1HB PHE 123 1HB PHE 123 -9.549 10.082 -0.550 948 2HB PHE 123 2HB PHE 123 -9.151 9.623 -2.194 949 HD1 PHE 123 1HD PHE 123 -7.833 7.620 -2.643 950 HD2 PHE 123 2HD PHE 123 -8.856 8.712 1.328 951 HE1 PHE 123 1HE PHE 123 -7.219 5.319 -1.852 952 HE2 PHE 123 2HE PHE 123 -8.242 6.411 2.119 953 HZ PHE 123 HZ PHE 123 -7.430 4.741 0.520 954 H ALA 124 H ALA 124 -8.108 11.641 -3.528 955 HA ALA 124 HA ALA 124 -8.381 14.365 -2.631 956 1HB ALA 124 1HB ALA 124 -9.164 14.101 -5.338 957 2HB ALA 124 2HB ALA 124 -7.588 14.646 -4.715 958 3HB ALA 124 3HB ALA 124 -7.849 12.928 -5.095 959 H ASN 125 H ASN 125 -10.405 11.560 -3.306 960 HA ASN 125 HA ASN 125 -12.720 13.307 -2.991 961 1HB ASN 125 1HB ASN 125 -12.134 11.495 -5.104 962 2HB ASN 125 2HB ASN 125 -13.326 10.660 -4.129 963 1HD2 ASN 125 1HD2 ASN 125 -14.537 10.963 -6.170 964 2HD2 ASN 125 2HD2 ASN 125 -15.490 12.395 -6.372 965 H GLU 126 H GLU 126 -14.449 12.421 -1.602 966 HA GLU 126 HA GLU 126 -13.417 10.785 0.459 967 1HB GLU 126 1HB GLU 126 -15.072 12.722 0.707 968 2HB GLU 126 2HB GLU 126 -16.306 11.663 0.055 969 1HG GLU 126 1HG GLU 126 -16.457 10.426 1.986 970 2HG GLU 126 2HG GLU 126 -14.724 10.434 2.250 971 H GLU 127 H GLU 127 -15.986 10.420 -2.074 972 HA GLU 127 HA GLU 127 -16.830 7.925 -1.336 973 1HB GLU 127 1HB GLU 127 -17.047 9.679 -3.667 974 2HB GLU 127 2HB GLU 127 -16.969 8.000 -4.162 975 1HG GLU 127 1HG GLU 127 -18.800 7.464 -2.503 976 2HG GLU 127 2HG GLU 127 -18.914 9.169 -2.116 977 H GLU 128 H GLU 128 -14.222 8.862 -3.680 978 HA GLU 128 HA GLU 128 -13.563 6.326 -4.463 979 1HB GLU 128 1HB GLU 128 -12.288 8.999 -4.484 980 2HB GLU 128 2HB GLU 128 -11.136 7.678 -4.503 981 1HG GLU 128 1HG GLU 128 -13.217 6.947 -6.326 982 2HG GLU 128 2HG GLU 128 -12.852 8.629 -6.651 983 H ALA 129 H ALA 129 -12.847 8.070 -1.461 984 HA ALA 129 HA ALA 129 -10.764 6.269 -0.664 985 1HB ALA 129 1HB ALA 129 -10.925 8.691 -0.001 986 2HB ALA 129 2HB ALA 129 -12.356 8.279 0.976 987 3HB ALA 129 3HB ALA 129 -10.770 7.577 1.378 988 H LYS 130 H LYS 130 -14.290 6.704 -0.104 989 HA LYS 130 HA LYS 130 -14.482 4.781 1.933 990 1HB LYS 130 1HB LYS 130 -16.160 6.525 1.547 991 2HB LYS 130 2HB LYS 130 -16.563 5.829 -0.010 992 1HG LYS 130 1HG LYS 130 -16.702 3.691 1.896 993 2HG LYS 130 2HG LYS 130 -17.515 5.062 2.627 994 1HD LYS 130 1HD LYS 130 -18.834 5.341 0.459 995 2HD LYS 130 2HD LYS 130 -18.115 3.847 -0.109 996 1HE LYS 130 1HE LYS 130 -19.403 3.777 2.608 997 2HE LYS 130 2HE LYS 130 -20.477 3.923 1.233 998 1HZ LYS 130 1HZ LYS 130 -20.216 1.686 1.402 999 2HZ LYS 130 2HZ LYS 130 -19.034 2.009 0.323 1000 3HZ LYS 130 3HZ LYS 130 -18.659 1.755 1.892 1001 H LYS 131 H LYS 131 -14.751 4.627 -1.658 1002 HA LYS 131 HA LYS 131 -15.462 1.878 -1.649 1003 1HB LYS 131 1HB LYS 131 -15.173 2.037 -4.063 1004 2HB LYS 131 2HB LYS 131 -16.107 3.390 -3.457 1005 1HG LYS 131 1HG LYS 131 -14.598 4.505 -4.849 1006 2HG LYS 131 2HG LYS 131 -13.756 4.611 -3.317 1007 1HD LYS 131 1HD LYS 131 -12.172 2.978 -3.905 1008 2HD LYS 131 2HD LYS 131 -13.246 2.189 -5.044 1009 1HE LYS 131 1HE LYS 131 -12.700 4.968 -5.839 1010 2HE LYS 131 2HE LYS 131 -11.217 4.052 -5.662 1011 1HZ LYS 131 1HZ LYS 131 -11.678 3.011 -7.527 1012 2HZ LYS 131 2HZ LYS 131 -13.121 2.487 -6.972 1013 3HZ LYS 131 3HZ LYS 131 -13.014 3.927 -7.734 1014 H PHE 132 H PHE 132 -12.462 3.718 -1.440 1015 HA PHE 132 HA PHE 132 -10.711 1.788 -2.418 1016 1HB PHE 132 1HB PHE 132 -10.663 4.368 -1.328 1017 2HB PHE 132 2HB PHE 132 -9.921 3.444 -0.036 1018 HD1 PHE 132 1HD PHE 132 -7.703 2.606 -0.240 1019 HD2 PHE 132 2HD PHE 132 -9.605 4.388 -3.588 1020 HE1 PHE 132 1HE PHE 132 -5.507 2.671 -1.453 1021 HE2 PHE 132 2HE PHE 132 -7.408 4.455 -4.801 1022 HZ PHE 132 HZ PHE 132 -5.385 3.595 -3.718 1023 H ARG 133 H ARG 133 -11.636 2.544 1.022 1024 HA ARG 133 HA ARG 133 -10.212 0.406 2.051 1025 1HB ARG 133 1HB ARG 133 -11.481 2.561 3.131 1026 2HB ARG 133 2HB ARG 133 -12.693 1.343 3.477 1027 1HG ARG 133 1HG ARG 133 -10.749 -0.084 4.452 1028 2HG ARG 133 2HG ARG 133 -9.782 1.376 4.375 1029 1HD ARG 133 1HD ARG 133 -11.112 2.504 5.986 1030 2HD ARG 133 2HD ARG 133 -12.501 1.472 5.714 1031 HE ARG 133 HE ARG 133 -10.167 0.866 7.412 1032 1HH1 ARG 133 2HH2 ARG 133 -13.025 -0.398 5.796 1033 2HH1 ARG 133 1HH2 ARG 133 -13.135 -1.799 6.808 1034 1HH2 ARG 133 2HH1 ARG 133 -10.312 -0.982 8.748 1035 2HH2 ARG 133 1HH1 ARG 133 -11.582 -2.134 8.499 1036 H LYS 134 H LYS 134 -13.602 0.787 0.915 1037 HA LYS 134 HA LYS 134 -14.530 -1.679 1.897 1038 1HB LYS 134 1HB LYS 134 -15.640 0.559 0.722 1039 2HB LYS 134 2HB LYS 134 -15.830 -0.651 -0.531 1040 1HG LYS 134 1HG LYS 134 -16.561 -2.102 1.703 1041 2HG LYS 134 2HG LYS 134 -17.095 -0.499 2.165 1042 1HD LYS 134 1HD LYS 134 -18.849 -0.573 0.722 1043 2HD LYS 134 2HD LYS 134 -17.814 -1.025 -0.617 1044 1HE LYS 134 1HE LYS 134 -19.435 -2.817 -0.258 1045 2HE LYS 134 2HE LYS 134 -17.848 -3.412 0.188 1046 1HZ LYS 134 1HZ LYS 134 -19.598 -3.895 1.814 1047 2HZ LYS 134 2HZ LYS 134 -18.355 -3.056 2.461 1048 3HZ LYS 134 3HZ LYS 134 -19.762 -2.299 2.118 1049 H ALA 135 H ALA 135 -12.879 -0.651 -1.114 1050 HA ALA 135 HA ALA 135 -13.289 -3.073 -2.491 1051 1HB ALA 135 1HB ALA 135 -11.546 -0.645 -2.736 1052 2HB ALA 135 2HB ALA 135 -11.093 -2.093 -3.665 1053 3HB ALA 135 3HB ALA 135 -12.692 -1.349 -3.902 1054 H VAL 136 H VAL 136 -10.494 -1.774 -0.567 1055 HA VAL 136 HA VAL 136 -8.868 -3.993 -0.848 1056 HB VAL 136 HB VAL 136 -9.136 -1.713 1.043 1057 1HG1 VAL 136 1HG1 VAL 136 -8.698 -3.401 2.666 1058 2HG1 VAL 136 2HG1 VAL 136 -7.493 -4.193 1.624 1059 3HG1 VAL 136 3HG1 VAL 136 -7.143 -2.601 2.337 1060 1HG2 VAL 136 1HG2 VAL 136 -7.796 -2.007 -1.256 1061 2HG2 VAL 136 2HG2 VAL 136 -7.208 -0.973 0.068 1062 3HG2 VAL 136 3HG2 VAL 136 -6.548 -2.613 -0.141 1063 H THR 137 H THR 137 -11.377 -3.225 1.648 1064 HA THR 137 HA THR 137 -10.973 -5.532 3.179 1065 HB THR 137 HB THR 137 -13.307 -4.926 4.001 1066 HG1 THR 137 1HG THR 137 -14.401 -3.925 2.350 1067 1HG2 THR 137 1HG2 THR 137 -11.886 -3.531 5.210 1068 2HG2 THR 137 2HG2 THR 137 -11.057 -2.948 3.748 1069 3HG2 THR 137 3HG2 THR 137 -12.648 -2.285 4.192 1070 H ASP 138 H ASP 138 -13.267 -4.885 0.455 1071 HA ASP 138 HA ASP 138 -14.434 -7.387 0.569 1072 1HB ASP 138 1HB ASP 138 -14.349 -5.083 -1.258 1073 2HB ASP 138 2HB ASP 138 -14.453 -6.589 -2.147 1074 H LEU 139 H LEU 139 -11.428 -6.124 -0.879 1075 HA LEU 139 HA LEU 139 -11.001 -8.400 -2.560 1076 1HB LEU 139 1HB LEU 139 -10.018 -6.569 -3.460 1077 2HB LEU 139 2HB LEU 139 -9.616 -5.863 -1.907 1078 HG LEU 139 HG LEU 139 -7.637 -7.076 -1.703 1079 1HD1 LEU 139 1HD1 LEU 139 -7.486 -8.922 -3.822 1080 2HD1 LEU 139 2HD1 LEU 139 -7.632 -9.261 -2.081 1081 3HD1 LEU 139 3HD1 LEU 139 -9.094 -9.139 -3.091 1082 1HD2 LEU 139 1HD2 LEU 139 -7.979 -5.485 -3.864 1083 2HD2 LEU 139 2HD2 LEU 139 -6.426 -6.220 -3.399 1084 3HD2 LEU 139 3HD2 LEU 139 -7.433 -6.985 -4.653 1085 H LEU 140 H LEU 140 -9.672 -7.170 0.579 1086 HA LEU 140 HA LEU 140 -7.943 -9.348 0.950 1087 1HB LEU 140 1HB LEU 140 -8.802 -6.978 2.374 1088 2HB LEU 140 2HB LEU 140 -8.647 -8.341 3.463 1089 HG LEU 140 HG LEU 140 -6.316 -8.676 2.339 1090 1HD1 LEU 140 1HD1 LEU 140 -5.460 -7.102 1.000 1091 2HD1 LEU 140 2HD1 LEU 140 -7.150 -6.596 0.760 1092 3HD1 LEU 140 3HD1 LEU 140 -6.136 -5.769 1.967 1093 1HD2 LEU 140 1HD2 LEU 140 -7.161 -6.728 4.436 1094 2HD2 LEU 140 2HD2 LEU 140 -6.164 -8.197 4.562 1095 3HD2 LEU 140 3HD2 LEU 140 -5.465 -6.701 3.896 1096 H GLY 141 H GLY 141 -11.391 -8.768 1.705 1097 1HA GLY 141 1HA GLY 141 -11.771 -10.950 3.437 1098 2HA GLY 141 2HA GLY 141 -12.997 -10.128 2.493 1099 H ARG 142 H ARG 142 -12.115 -10.591 -0.158 1100 HA ARG 142 HA ARG 142 -13.115 -13.139 -0.543 1101 1HB ARG 142 1HB ARG 142 -12.488 -10.892 -2.136 1102 2HB ARG 142 2HB ARG 142 -11.456 -12.154 -2.777 1103 1HG ARG 142 1HG ARG 142 -13.596 -13.654 -2.764 1104 2HG ARG 142 2HG ARG 142 -14.490 -12.164 -2.540 1105 1HD ARG 142 1HD ARG 142 -14.424 -12.580 -4.922 1106 2HD ARG 142 2HD ARG 142 -13.337 -11.238 -4.619 1107 HE ARG 142 HE ARG 142 -11.939 -13.784 -4.482 1108 1HH1 ARG 142 2HH2 ARG 142 -13.203 -11.379 -6.719 1109 2HH1 ARG 142 1HH2 ARG 142 -12.095 -11.789 -7.986 1110 1HH2 ARG 142 2HH1 ARG 142 -10.477 -14.325 -6.153 1111 2HH2 ARG 142 1HH1 ARG 142 -10.533 -13.476 -7.661 1112 H ARG 143 H ARG 143 -9.770 -11.803 -0.466 1113 HA ARG 143 HA ARG 143 -8.307 -13.703 -1.544 1114 1HB ARG 143 1HB ARG 143 -7.457 -11.663 -0.322 1115 2HB ARG 143 2HB ARG 143 -7.742 -12.476 1.203 1116 1HG ARG 143 1HG ARG 143 -6.160 -14.307 0.494 1117 2HG ARG 143 2HG ARG 143 -5.844 -13.433 -0.992 1118 1HD ARG 143 1HD ARG 143 -4.071 -12.674 0.334 1119 2HD ARG 143 2HD ARG 143 -5.253 -11.416 0.636 1120 HE ARG 143 HE ARG 143 -5.422 -13.685 2.499 1121 1HH1 ARG 143 2HH2 ARG 143 -3.976 -10.540 1.869 1122 2HH1 ARG 143 1HH2 ARG 143 -3.621 -10.228 3.535 1123 1HH2 ARG 143 2HH1 ARG 143 -4.954 -13.274 4.697 1124 2HH2 ARG 143 1HH1 ARG 143 -4.181 -11.793 5.155 1125 H GLN 144 H GLN 144 -9.388 -13.773 1.938 1126 HA GLN 144 HA GLN 144 -8.769 -16.605 1.952 1127 1HB GLN 144 1HB GLN 144 -9.151 -14.513 4.104 1128 2HB GLN 144 2HB GLN 144 -9.330 -16.208 4.510 1129 1HG GLN 144 1HG GLN 144 -6.882 -15.197 3.010 1130 2HG GLN 144 2HG GLN 144 -6.965 -15.132 4.759 1131 1HE2 GLN 144 1HE2 GLN 144 -5.030 -16.538 4.324 1132 2HE2 GLN 144 2HE2 GLN 144 -5.271 -18.253 4.272 Start of MODEL 11 1 1H ASP 1 H ASP 1 -6.479 20.440 11.212 2 HA ASP 1 HA ASP 1 -9.048 19.166 11.211 3 1HB ASP 1 1HB ASP 1 -7.675 21.089 9.598 4 2HB ASP 1 2HB ASP 1 -7.954 19.704 8.562 5 H LEU 2 H LEU 2 -5.683 18.395 10.786 6 HA LEU 2 HA LEU 2 -6.159 16.187 8.983 7 1HB LEU 2 1HB LEU 2 -3.763 17.473 10.236 8 2HB LEU 2 2HB LEU 2 -3.634 15.849 9.589 9 HG LEU 2 HG LEU 2 -2.886 17.538 7.985 10 1HD1 LEU 2 1HD1 LEU 2 -5.451 16.216 7.064 11 2HD1 LEU 2 2HD1 LEU 2 -4.090 16.746 6.047 12 3HD1 LEU 2 3HD1 LEU 2 -3.871 15.408 7.199 13 1HD2 LEU 2 1HD2 LEU 2 -5.446 18.618 7.196 14 2HD2 LEU 2 2HD2 LEU 2 -5.097 19.006 8.897 15 3HD2 LEU 2 3HD2 LEU 2 -3.937 19.459 7.625 16 HA PRO 3 HA PRO 3 -6.604 13.197 12.060 17 1HB PRO 3 1HB PRO 3 -5.591 10.957 10.866 18 2HB PRO 3 2HB PRO 3 -7.193 11.581 10.529 19 1HG PRO 3 1HG PRO 3 -4.756 11.734 8.863 20 2HG PRO 3 2HG PRO 3 -6.427 11.960 8.387 21 1HD PRO 3 1HD PRO 3 -4.470 14.014 8.807 22 2HD PRO 3 2HD PRO 3 -6.169 14.244 8.444 23 HA PRO 4 HA PRO 4 -3.105 12.794 14.424 24 1HB PRO 4 1HB PRO 4 -3.821 10.852 16.210 25 2HB PRO 4 2HB PRO 4 -4.309 12.528 16.368 26 1HG PRO 4 1HG PRO 4 -5.916 10.202 15.502 27 2HG PRO 4 2HG PRO 4 -6.466 11.766 16.069 28 1HD PRO 4 1HD PRO 4 -6.405 10.851 13.351 29 2HD PRO 4 2HD PRO 4 -6.845 12.454 13.908 30 HA PRO 5 HA PRO 5 -0.782 9.706 12.624 31 1HB PRO 5 1HB PRO 5 1.669 10.353 13.644 32 2HB PRO 5 2HB PRO 5 0.987 11.125 12.227 33 1HG PRO 5 1HG PRO 5 1.241 12.187 14.974 34 2HG PRO 5 2HG PRO 5 0.968 13.062 13.481 35 1HD PRO 5 1HD PRO 5 -0.982 12.451 15.494 36 2HD PRO 5 2HD PRO 5 -1.277 13.222 13.949 37 H GLU 6 H GLU 6 -0.157 7.611 12.977 38 HA GLU 6 HA GLU 6 -0.243 6.962 15.818 39 1HB GLU 6 1HB GLU 6 -0.880 4.641 15.014 40 2HB GLU 6 2HB GLU 6 -2.066 5.887 14.673 41 1HG GLU 6 1HG GLU 6 -1.583 5.919 12.368 42 2HG GLU 6 2HG GLU 6 0.047 5.316 12.590 43 HA PRO 7 HA PRO 7 3.906 5.722 15.350 44 1HB PRO 7 1HB PRO 7 4.283 4.549 17.789 45 2HB PRO 7 2HB PRO 7 4.389 6.279 17.531 46 1HG PRO 7 1HG PRO 7 2.221 4.726 18.806 47 2HG PRO 7 2HG PRO 7 2.550 6.444 18.913 48 1HD PRO 7 1HD PRO 7 0.507 5.181 17.343 49 2HD PRO 7 2HD PRO 7 0.912 6.887 17.362 50 H TYR 8 H TYR 8 4.574 4.237 13.947 51 HA TYR 8 HA TYR 8 3.591 1.521 14.516 52 1HB TYR 8 1HB TYR 8 2.687 2.140 12.396 53 2HB TYR 8 2HB TYR 8 3.984 3.275 12.075 54 HD1 TYR 8 1HD TYR 8 5.871 2.651 10.771 55 HD2 TYR 8 2HD TYR 8 3.135 -0.348 12.125 56 HE1 TYR 8 1HE TYR 8 6.983 0.940 9.254 57 HE2 TYR 8 2HE TYR 8 4.257 -2.047 10.602 58 HH TYR 8 HH TYR 8 5.765 -1.585 8.192 59 H VAL 9 H VAL 9 5.105 -0.010 14.953 60 HA VAL 9 HA VAL 9 7.869 0.638 14.191 61 HB VAL 9 HB VAL 9 6.713 -0.519 16.716 62 1HG1 VAL 9 1HG1 VAL 9 9.017 -1.109 17.414 63 2HG1 VAL 9 2HG1 VAL 9 8.446 -2.086 16.041 64 3HG1 VAL 9 3HG1 VAL 9 9.589 -0.750 15.766 65 1HG2 VAL 9 1HG2 VAL 9 7.308 2.014 16.200 66 2HG2 VAL 9 2HG2 VAL 9 7.646 1.287 17.789 67 3HG2 VAL 9 3HG2 VAL 9 8.954 1.465 16.596 68 H GLN 10 H GLN 10 8.578 -0.693 12.613 69 HA GLN 10 HA GLN 10 8.512 -3.430 12.870 70 1HB GLN 10 1HB GLN 10 6.011 -2.468 11.976 71 2HB GLN 10 2HB GLN 10 6.800 -3.049 10.523 72 1HG GLN 10 1HG GLN 10 6.058 -5.109 11.172 73 2HG GLN 10 2HG GLN 10 7.411 -5.083 12.288 74 1HE2 GLN 10 1HE2 GLN 10 4.005 -4.215 11.907 75 2HE2 GLN 10 2HE2 GLN 10 3.535 -4.392 13.565 76 H THR 11 H THR 11 10.707 -3.089 12.269 77 HA THR 11 HA THR 11 11.509 -1.613 10.036 78 HB THR 11 HB THR 11 12.947 -2.318 11.977 79 HG1 THR 11 1HG THR 11 13.617 -3.365 9.316 80 1HG2 THR 11 1HG2 THR 11 13.864 -4.587 12.038 81 2HG2 THR 11 2HG2 THR 11 12.090 -4.727 12.089 82 3HG2 THR 11 3HG2 THR 11 12.963 -5.036 10.570 83 H THR 12 H THR 12 11.957 -2.093 7.903 84 HA THR 12 HA THR 12 11.489 -3.049 5.941 85 HB THR 12 HB THR 12 13.427 -4.418 6.904 86 HG1 THR 12 1HG THR 12 13.136 -5.836 5.114 87 1HG2 THR 12 1HG2 THR 12 12.535 -5.818 8.608 88 2HG2 THR 12 2HG2 THR 12 11.058 -6.161 7.675 89 3HG2 THR 12 3HG2 THR 12 12.601 -6.915 7.208 90 H LYS 13 H LYS 13 10.294 -5.078 4.831 91 HA LYS 13 HA LYS 13 7.652 -5.043 6.085 92 1HB LYS 13 1HB LYS 13 8.597 -5.381 3.236 93 2HB LYS 13 2HB LYS 13 6.974 -5.824 3.724 94 1HG LYS 13 1HG LYS 13 6.367 -3.652 3.505 95 2HG LYS 13 2HG LYS 13 7.393 -3.266 4.872 96 1HD LYS 13 1HD LYS 13 9.282 -2.771 3.450 97 2HD LYS 13 2HD LYS 13 8.519 -3.504 2.053 98 1HE LYS 13 1HE LYS 13 6.658 -1.702 2.331 99 2HE LYS 13 2HE LYS 13 7.759 -0.899 3.433 100 1HZ LYS 13 1HZ LYS 13 8.230 -1.509 0.604 101 2HZ LYS 13 2HZ LYS 13 8.134 -0.036 1.303 102 3HZ LYS 13 3HZ LYS 13 9.415 -1.002 1.607 103 H SER 14 H SER 14 6.496 -7.275 4.879 104 HA SER 14 HA SER 14 8.233 -9.479 5.559 105 1HB SER 14 1HB SER 14 5.816 -8.637 7.105 106 2HB SER 14 2HB SER 14 5.948 -10.353 6.775 107 HG SER 14 HG SER 14 8.294 -10.012 7.596 108 H TYR 15 H TYR 15 8.178 -10.035 3.310 109 HA TYR 15 HA TYR 15 5.516 -10.648 2.238 110 1HB TYR 15 1HB TYR 15 8.216 -9.731 1.272 111 2HB TYR 15 2HB TYR 15 7.459 -10.920 0.230 112 HD1 TYR 15 1HD TYR 15 4.565 -10.096 0.590 113 HD2 TYR 15 2HD TYR 15 8.107 -7.787 -0.065 114 HE1 TYR 15 1HE TYR 15 3.177 -8.259 -0.489 115 HE2 TYR 15 2HE TYR 15 6.707 -5.959 -1.143 116 HH TYR 15 HH TYR 15 4.719 -5.505 -2.030 117 HA PRO 16 HA PRO 16 6.464 -14.870 2.444 118 1HB PRO 16 1HB PRO 16 4.596 -15.867 0.716 119 2HB PRO 16 2HB PRO 16 4.234 -15.440 2.376 120 1HG PRO 16 1HG PRO 16 3.547 -13.984 -0.102 121 2HG PRO 16 2HG PRO 16 2.850 -13.818 1.497 122 1HD PRO 16 1HD PRO 16 4.728 -12.043 0.251 123 2HD PRO 16 2HD PRO 16 4.121 -11.942 1.891 124 H SER 17 H SER 17 5.976 -13.679 -0.840 125 HA SER 17 HA SER 17 7.440 -15.700 -2.021 126 1HB SER 17 1HB SER 17 6.129 -14.451 -3.507 127 2HB SER 17 2HB SER 17 6.603 -12.915 -2.810 128 HG SER 17 HG SER 17 8.140 -12.773 -4.280 129 H LYS 18 H LYS 18 8.383 -12.573 -0.542 130 HA LYS 18 HA LYS 18 11.186 -13.313 -1.022 131 1HB LYS 18 1HB LYS 18 9.738 -10.755 -1.385 132 2HB LYS 18 2HB LYS 18 11.286 -10.629 -0.574 133 1HG LYS 18 1HG LYS 18 12.191 -12.162 -2.500 134 2HG LYS 18 2HG LYS 18 10.706 -11.755 -3.337 135 1HD LYS 18 1HD LYS 18 11.476 -9.685 -3.881 136 2HD LYS 18 2HD LYS 18 11.932 -9.344 -2.223 137 1HE LYS 18 1HE LYS 18 13.928 -11.076 -2.826 138 2HE LYS 18 2HE LYS 18 13.587 -10.511 -4.449 139 1HZ LYS 18 1HZ LYS 18 15.032 -8.945 -3.745 140 2HZ LYS 18 2HZ LYS 18 13.654 -8.217 -3.256 141 3HZ LYS 18 3HZ LYS 18 14.583 -9.018 -2.177 142 H LEU 19 H LEU 19 10.107 -14.599 1.051 143 HA LEU 19 HA LEU 19 10.398 -12.927 3.412 144 1HB LEU 19 1HB LEU 19 8.637 -14.882 2.790 145 2HB LEU 19 2HB LEU 19 9.844 -15.824 3.644 146 HG LEU 19 HG LEU 19 8.777 -13.300 4.882 147 1HD1 LEU 19 1HD1 LEU 19 6.718 -14.271 4.440 148 2HD1 LEU 19 2HD1 LEU 19 7.341 -15.929 4.623 149 3HD1 LEU 19 3HD1 LEU 19 7.109 -14.901 6.058 150 1HD2 LEU 19 1HD2 LEU 19 10.202 -13.942 6.462 151 2HD2 LEU 19 2HD2 LEU 19 9.100 -15.300 6.797 152 3HD2 LEU 19 3HD2 LEU 19 10.468 -15.520 5.681 153 H ALA 20 H ALA 20 12.596 -13.941 1.397 154 HA ALA 20 HA ALA 20 14.759 -14.390 1.592 155 1HB ALA 20 1HB ALA 20 15.861 -13.874 3.556 156 2HB ALA 20 2HB ALA 20 14.299 -13.083 3.872 157 3HB ALA 20 3HB ALA 20 14.647 -14.679 4.579 158 H ARG 21 H ARG 21 12.382 -16.407 1.734 159 HA ARG 21 HA ARG 21 13.486 -18.609 3.106 160 1HB ARG 21 1HB ARG 21 10.980 -17.938 2.036 161 2HB ARG 21 2HB ARG 21 11.517 -19.228 0.979 162 1HG ARG 21 1HG ARG 21 12.040 -19.810 3.831 163 2HG ARG 21 2HG ARG 21 10.339 -19.553 3.501 164 1HD ARG 21 1HD ARG 21 10.545 -21.214 1.566 165 2HD ARG 21 2HD ARG 21 12.178 -21.555 2.104 166 HE ARG 21 HE ARG 21 9.708 -22.451 3.372 167 1HH1 ARG 21 2HH2 ARG 21 13.095 -21.693 3.953 168 2HH1 ARG 21 1HH2 ARG 21 13.212 -22.705 5.355 169 1HH2 ARG 21 2HH1 ARG 21 9.863 -23.786 5.221 170 2HH2 ARG 21 1HH1 ARG 21 11.363 -23.903 6.080 171 H ASN 22 H ASN 22 12.961 -17.792 -0.405 172 HA ASN 22 HA ASN 22 15.328 -19.359 -0.979 173 1HB ASN 22 1HB ASN 22 12.794 -20.389 -1.479 174 2HB ASN 22 2HB ASN 22 13.141 -19.595 -3.002 175 1HD2 ASN 22 1HD2 ASN 22 13.802 -21.024 -4.407 176 2HD2 ASN 22 2HD2 ASN 22 14.971 -22.278 -4.162 177 H GLU 23 H GLU 23 16.663 -17.869 -2.014 178 HA GLU 23 HA GLU 23 15.382 -16.136 -3.970 179 1HB GLU 23 1HB GLU 23 16.622 -15.310 -1.508 180 2HB GLU 23 2HB GLU 23 17.648 -14.772 -2.821 181 1HG GLU 23 1HG GLU 23 14.675 -14.352 -3.103 182 2HG GLU 23 2HG GLU 23 15.542 -13.318 -1.985 183 H SER 24 H SER 24 18.633 -17.127 -2.655 184 HA SER 24 HA SER 24 20.411 -17.902 -3.632 185 1HB SER 24 1HB SER 24 18.306 -18.910 -5.294 186 2HB SER 24 2HB SER 24 19.591 -18.391 -6.367 187 HG SER 24 HG SER 24 21.074 -19.660 -4.911 188 H ARG 25 H ARG 25 22.143 -16.665 -4.292 189 HA ARG 25 HA ARG 25 21.737 -14.141 -5.282 190 1HB ARG 25 1HB ARG 25 24.190 -15.950 -5.207 191 2HB ARG 25 2HB ARG 25 24.290 -14.311 -5.819 192 1HG ARG 25 1HG ARG 25 23.258 -13.521 -3.611 193 2HG ARG 25 2HG ARG 25 23.423 -15.162 -3.018 194 1HD ARG 25 1HD ARG 25 25.626 -14.838 -2.558 195 2HD ARG 25 2HD ARG 25 25.946 -14.328 -4.204 196 HE ARG 25 HE ARG 25 25.446 -12.582 -1.896 197 1HH1 ARG 25 2HH2 ARG 25 25.496 -12.807 -5.407 198 2HH1 ARG 25 1HH2 ARG 25 25.689 -11.101 -5.640 199 1HH2 ARG 25 2HH1 ARG 25 25.701 -10.333 -2.203 200 2HH2 ARG 25 1HH1 ARG 25 25.807 -9.684 -3.805 201 H GLY 26 H GLY 26 22.929 -13.314 -7.408 202 1HA GLY 26 1HA GLY 26 23.229 -15.033 -9.613 203 2HA GLY 26 2HA GLY 26 21.602 -14.381 -9.629 204 H SER 27 H SER 27 25.070 -13.374 -9.288 205 HA SER 27 HA SER 27 24.367 -10.715 -10.084 206 1HB SER 27 1HB SER 27 26.673 -10.167 -9.636 207 2HB SER 27 2HB SER 27 26.140 -11.240 -8.358 208 HG SER 27 HG SER 27 27.078 -12.877 -10.226 209 H GLY 28 H GLY 28 24.760 -9.781 -12.120 210 1HA GLY 28 1HA GLY 28 26.322 -11.238 -14.091 211 2HA GLY 28 2HA GLY 28 24.603 -11.135 -14.415 212 H SER 29 H SER 29 25.455 -9.900 -16.373 213 HA SER 29 HA SER 29 26.454 -7.286 -15.785 214 1HB SER 29 1HB SER 29 26.697 -7.039 -18.169 215 2HB SER 29 2HB SER 29 27.193 -8.672 -17.771 216 HG SER 29 HG SER 29 25.840 -8.946 -19.507 217 H GLY 30 H GLY 30 25.339 -5.337 -16.944 218 1HA GLY 30 1HA GLY 30 22.401 -5.635 -16.780 219 2HA GLY 30 2HA GLY 30 23.255 -4.296 -16.038 220 H SER 31 H SER 31 23.121 -6.006 -19.251 221 HA SER 31 HA SER 31 22.919 -3.360 -20.444 222 1HB SER 31 1HB SER 31 25.188 -3.922 -20.889 223 2HB SER 31 2HB SER 31 24.814 -5.609 -21.180 224 HG SER 31 HG SER 31 23.460 -3.890 -22.920 225 H LEU 32 H LEU 32 20.679 -3.567 -20.856 226 HA LEU 32 HA LEU 32 19.964 -5.032 -23.137 227 1HB LEU 32 1HB LEU 32 20.021 -6.634 -20.896 228 2HB LEU 32 2HB LEU 32 18.341 -6.143 -20.969 229 HG LEU 32 HG LEU 32 18.285 -6.934 -23.360 230 1HD1 LEU 32 1HD1 LEU 32 20.808 -6.806 -23.620 231 2HD1 LEU 32 2HD1 LEU 32 20.880 -8.344 -22.727 232 3HD1 LEU 32 3HD1 LEU 32 20.011 -8.255 -24.278 233 1HD2 LEU 32 1HD2 LEU 32 18.786 -9.473 -22.363 234 2HD2 LEU 32 2HD2 LEU 32 18.385 -8.517 -20.916 235 3HD2 LEU 32 3HD2 LEU 32 17.247 -8.584 -22.284 236 H PHE 33 H PHE 33 17.538 -4.778 -23.569 237 HA PHE 33 HA PHE 33 16.848 -2.100 -22.805 238 1HB PHE 33 1HB PHE 33 16.543 -3.695 -25.035 239 2HB PHE 33 2HB PHE 33 14.993 -3.994 -24.272 240 HD1 PHE 33 1HD PHE 33 16.373 -2.179 -26.750 241 HD2 PHE 33 2HD PHE 33 14.058 -1.539 -23.251 242 HE1 PHE 33 1HE PHE 33 15.480 -0.047 -27.730 243 HE2 PHE 33 2HE PHE 33 13.165 0.593 -24.231 244 HZ PHE 33 HZ PHE 33 13.888 1.313 -26.459 245 H SER 34 H SER 34 16.861 -3.370 -20.428 246 HA SER 34 HA SER 34 15.671 -3.763 -18.658 247 1HB SER 34 1HB SER 34 14.143 -1.913 -20.045 248 2HB SER 34 2HB SER 34 12.979 -3.195 -19.770 249 HG SER 34 HG SER 34 12.787 -2.113 -17.891 250 H PHE 35 H PHE 35 15.449 -5.879 -18.036 251 HA PHE 35 HA PHE 35 13.631 -7.534 -19.644 252 1HB PHE 35 1HB PHE 35 16.107 -8.061 -19.858 253 2HB PHE 35 2HB PHE 35 16.217 -8.213 -18.116 254 HD1 PHE 35 1HD PHE 35 13.990 -9.587 -20.793 255 HD2 PHE 35 2HD PHE 35 16.384 -10.379 -17.379 256 HE1 PHE 35 1HE PHE 35 13.435 -12.028 -20.969 257 HE2 PHE 35 2HE PHE 35 15.829 -12.820 -17.556 258 HZ PHE 35 HZ PHE 35 14.360 -13.616 -19.349 259 H LEU 36 H LEU 36 11.775 -7.572 -18.405 260 HA LEU 36 HA LEU 36 11.833 -9.059 -16.015 261 1HB LEU 36 1HB LEU 36 12.595 -6.513 -15.531 262 2HB LEU 36 2HB LEU 36 10.857 -6.338 -15.386 263 HG LEU 36 HG LEU 36 11.833 -6.733 -13.213 264 1HD1 LEU 36 1HD1 LEU 36 9.800 -7.648 -12.955 265 2HD1 LEU 36 2HD1 LEU 36 9.945 -8.650 -14.419 266 3HD1 LEU 36 3HD1 LEU 36 10.694 -9.186 -12.896 267 1HD2 LEU 36 1HD2 LEU 36 13.876 -7.867 -13.863 268 2HD2 LEU 36 2HD2 LEU 36 12.994 -8.835 -12.657 269 3HD2 LEU 36 3HD2 LEU 36 12.951 -9.299 -14.375 270 H GLY 37 H GLY 37 9.952 -10.171 -16.036 271 1HA GLY 37 1HA GLY 37 7.731 -9.016 -17.598 272 2HA GLY 37 2HA GLY 37 8.041 -10.723 -17.352 273 H LYS 38 H LYS 38 5.939 -8.354 -16.507 274 HA LYS 38 HA LYS 38 5.384 -9.650 -13.941 275 1HB LYS 38 1HB LYS 38 5.697 -6.703 -14.477 276 2HB LYS 38 2HB LYS 38 4.608 -7.262 -13.223 277 1HG LYS 38 1HG LYS 38 7.468 -8.283 -13.370 278 2HG LYS 38 2HG LYS 38 7.099 -6.763 -12.584 279 1HD LYS 38 1HD LYS 38 5.740 -7.809 -10.918 280 2HD LYS 38 2HD LYS 38 5.559 -9.278 -11.858 281 1HE LYS 38 1HE LYS 38 7.528 -10.159 -11.090 282 2HE LYS 38 2HE LYS 38 8.390 -8.644 -11.277 283 1HZ LYS 38 1HZ LYS 38 6.431 -8.772 -9.158 284 2HZ LYS 38 2HZ LYS 38 7.803 -9.631 -8.942 285 3HZ LYS 38 3HZ LYS 38 7.880 -8.019 -9.192 286 H LYS 39 H LYS 39 3.175 -9.945 -13.486 287 HA LYS 39 HA LYS 39 1.332 -8.965 -15.535 288 1HB LYS 39 1HB LYS 39 0.248 -11.197 -15.601 289 2HB LYS 39 2HB LYS 39 1.867 -11.185 -16.271 290 1HG LYS 39 1HG LYS 39 2.338 -11.749 -13.575 291 2HG LYS 39 2HG LYS 39 0.832 -12.592 -13.879 292 1HD LYS 39 1HD LYS 39 2.435 -14.207 -14.485 293 2HD LYS 39 2HD LYS 39 2.012 -13.507 -16.035 294 1HE LYS 39 1HE LYS 39 4.246 -13.146 -16.314 295 2HE LYS 39 2HE LYS 39 4.058 -11.819 -15.184 296 1HZ LYS 39 1HZ LYS 39 4.900 -13.050 -13.495 297 2HZ LYS 39 2HZ LYS 39 4.430 -14.489 -14.108 298 3HZ LYS 39 3HZ LYS 39 5.729 -13.721 -14.732 299 H CYS 40 H CYS 40 1.595 -7.576 -13.255 300 HA CYS 40 HA CYS 40 -0.070 -8.674 -11.204 301 1HB CYS 40 1HB CYS 40 0.303 -6.524 -10.064 302 2HB CYS 40 2HB CYS 40 1.807 -7.266 -10.571 303 HG CYS 40 HG CYS 40 0.057 -5.018 -12.264 304 H VAL 41 H VAL 41 -2.231 -8.008 -10.723 305 HA VAL 41 HA VAL 41 -3.518 -6.565 -12.929 306 HB VAL 41 HB VAL 41 -5.592 -7.662 -11.852 307 1HG1 VAL 41 1HG1 VAL 41 -4.103 -9.903 -12.975 308 2HG1 VAL 41 2HG1 VAL 41 -5.507 -9.022 -13.626 309 3HG1 VAL 41 3HG1 VAL 41 -3.860 -8.406 -13.908 310 1HG2 VAL 41 1HG2 VAL 41 -4.362 -8.373 -9.781 311 2HG2 VAL 41 2HG2 VAL 41 -5.244 -9.685 -10.601 312 3HG2 VAL 41 3HG2 VAL 41 -3.478 -9.555 -10.777 313 H THR 42 H THR 42 -5.167 -4.967 -12.400 314 HA THR 42 HA THR 42 -4.602 -3.702 -9.807 315 HB THR 42 HB THR 42 -5.645 -2.623 -12.478 316 HG1 THR 42 1HG THR 42 -3.402 -2.823 -12.582 317 1HG2 THR 42 1HG2 THR 42 -5.478 -0.409 -11.486 318 2HG2 THR 42 2HG2 THR 42 -6.494 -1.375 -10.390 319 3HG2 THR 42 3HG2 THR 42 -4.787 -1.072 -9.986 320 H MET 43 H MET 43 -6.331 -2.803 -8.551 321 HA MET 43 HA MET 43 -8.798 -4.281 -9.038 322 1HB MET 43 1HB MET 43 -7.132 -3.729 -6.658 323 2HB MET 43 2HB MET 43 -8.800 -3.272 -6.380 324 1HG MET 43 1HG MET 43 -9.054 -5.750 -7.656 325 2HG MET 43 2HG MET 43 -7.618 -5.970 -6.677 326 1HE MET 43 1HE MET 43 -8.686 -4.960 -3.184 327 2HE MET 43 2HE MET 43 -7.580 -4.483 -4.494 328 3HE MET 43 3HE MET 43 -9.044 -3.524 -4.173 329 H SER 44 H SER 44 -7.452 -1.133 -7.843 330 HA SER 44 HA SER 44 -9.563 0.231 -9.162 331 1HB SER 44 1HB SER 44 -10.315 1.440 -7.050 332 2HB SER 44 2HB SER 44 -10.834 -0.228 -7.182 333 HG SER 44 HG SER 44 -9.704 0.722 -5.093 334 H SER 45 H SER 45 -9.317 2.758 -8.539 335 HA SER 45 HA SER 45 -6.618 3.360 -7.761 336 1HB SER 45 1HB SER 45 -5.998 4.512 -9.773 337 2HB SER 45 2HB SER 45 -6.580 2.936 -10.269 338 HG SER 45 HG SER 45 -8.713 4.005 -10.644 339 H ALA 46 H ALA 46 -6.363 5.636 -7.160 340 HA ALA 46 HA ALA 46 -8.507 7.462 -7.506 341 1HB ALA 46 1HB ALA 46 -8.093 6.641 -4.631 342 2HB ALA 46 2HB ALA 46 -9.469 7.490 -5.377 343 3HB ALA 46 3HB ALA 46 -9.242 5.747 -5.655 344 H VAL 47 H VAL 47 -7.786 9.569 -7.126 345 HA VAL 47 HA VAL 47 -4.965 9.830 -6.788 346 HB VAL 47 HB VAL 47 -7.193 11.857 -7.047 347 1HG1 VAL 47 1HG1 VAL 47 -4.956 12.598 -5.970 348 2HG1 VAL 47 2HG1 VAL 47 -4.278 12.395 -7.603 349 3HG1 VAL 47 3HG1 VAL 47 -5.603 13.549 -7.328 350 1HG2 VAL 47 1HG2 VAL 47 -7.270 11.020 -9.138 351 2HG2 VAL 47 2HG2 VAL 47 -5.763 11.936 -9.381 352 3HG2 VAL 47 3HG2 VAL 47 -5.697 10.203 -8.978 353 H VAL 48 H VAL 48 -3.839 10.178 -4.937 354 HA VAL 48 HA VAL 48 -5.207 11.415 -2.700 355 HB VAL 48 HB VAL 48 -5.139 9.675 -1.264 356 1HG1 VAL 48 1HG1 VAL 48 -5.860 7.604 -2.307 357 2HG1 VAL 48 2HG1 VAL 48 -6.553 8.987 -3.189 358 3HG1 VAL 48 3HG1 VAL 48 -5.161 8.107 -3.865 359 1HG2 VAL 48 1HG2 VAL 48 -2.734 8.691 -2.810 360 2HG2 VAL 48 2HG2 VAL 48 -2.824 9.261 -1.126 361 3HG2 VAL 48 3HG2 VAL 48 -3.536 7.693 -1.573 362 H GLN 49 H GLN 49 -3.554 11.863 -0.889 363 HA GLN 49 HA GLN 49 -1.013 12.439 -2.200 364 1HB GLN 49 1HB GLN 49 -2.148 13.905 0.212 365 2HB GLN 49 2HB GLN 49 -0.822 14.408 -0.817 366 1HG GLN 49 1HG GLN 49 -2.397 14.627 -2.747 367 2HG GLN 49 2HG GLN 49 -3.725 14.112 -1.727 368 1HE2 GLN 49 1HE2 GLN 49 -4.567 16.205 -2.486 369 2HE2 GLN 49 2HE2 GLN 49 -4.214 17.636 -1.576 370 H LEU 50 H LEU 50 0.811 11.480 -1.383 371 HA LEU 50 HA LEU 50 0.493 9.749 0.885 372 1HB LEU 50 1HB LEU 50 1.710 9.114 -1.171 373 2HB LEU 50 2HB LEU 50 2.910 10.343 -0.828 374 HG LEU 50 HG LEU 50 3.697 8.120 -0.203 375 1HD1 LEU 50 1HD1 LEU 50 3.938 10.403 1.277 376 2HD1 LEU 50 2HD1 LEU 50 3.374 9.238 2.499 377 3HD1 LEU 50 3HD1 LEU 50 4.845 8.897 1.557 378 1HD2 LEU 50 1HD2 LEU 50 1.959 7.780 2.137 379 2HD2 LEU 50 2HD2 LEU 50 1.116 7.613 0.578 380 3HD2 LEU 50 3HD2 LEU 50 2.530 6.593 0.940 381 H TYR 51 H TYR 51 0.821 10.313 2.964 382 HA TYR 51 HA TYR 51 2.443 12.723 3.433 383 1HB TYR 51 1HB TYR 51 -0.058 11.431 4.587 384 2HB TYR 51 2HB TYR 51 0.959 12.316 5.708 385 HD1 TYR 51 1HD TYR 51 0.590 13.334 2.175 386 HD2 TYR 51 2HD TYR 51 -0.698 14.008 6.198 387 HE1 TYR 51 1HE TYR 51 -0.514 15.512 1.465 388 HE2 TYR 51 2HE TYR 51 -1.798 16.182 5.475 389 HH TYR 51 HH TYR 51 -1.620 17.252 2.088 390 H ALA 52 H ALA 52 3.745 12.755 5.427 391 HA ALA 52 HA ALA 52 4.434 10.046 6.332 392 1HB ALA 52 1HB ALA 52 6.044 11.970 4.889 393 2HB ALA 52 2HB ALA 52 6.734 11.697 6.507 394 3HB ALA 52 3HB ALA 52 6.464 10.321 5.410 395 H ALA 53 H ALA 53 4.028 9.835 8.470 396 HA ALA 53 HA ALA 53 3.551 12.189 10.041 397 1HB ALA 53 1HB ALA 53 3.650 9.275 10.904 398 2HB ALA 53 2HB ALA 53 2.820 10.622 11.719 399 3HB ALA 53 3HB ALA 53 2.228 10.033 10.148 400 H ASP 54 H ASP 54 5.533 13.314 10.196 401 HA ASP 54 HA ASP 54 7.364 12.045 12.023 402 1HB ASP 54 1HB ASP 54 7.927 12.293 9.240 403 2HB ASP 54 2HB ASP 54 8.854 13.560 10.016 404 H ARG 55 H ARG 55 9.124 13.867 12.658 405 HA ARG 55 HA ARG 55 9.609 15.863 13.350 406 1HB ARG 55 1HB ARG 55 8.249 16.444 10.950 407 2HB ARG 55 2HB ARG 55 7.450 17.468 12.127 408 1HG ARG 55 1HG ARG 55 9.632 18.412 12.833 409 2HG ARG 55 2HG ARG 55 10.478 17.334 11.741 410 1HD ARG 55 1HD ARG 55 8.371 18.859 10.353 411 2HD ARG 55 2HD ARG 55 9.532 19.916 11.132 412 HE ARG 55 HE ARG 55 10.835 17.748 9.685 413 1HH1 ARG 55 2HH2 ARG 55 9.363 20.923 9.318 414 2HH1 ARG 55 1HH2 ARG 55 10.247 21.308 7.879 415 1HH2 ARG 55 2HH1 ARG 55 12.003 18.255 7.787 416 2HH2 ARG 55 1HH1 ARG 55 11.760 19.780 7.003 417 H ASN 56 H ASN 56 8.987 15.449 15.524 418 HA ASN 56 HA ASN 56 7.687 15.331 17.292 419 1HB ASN 56 1HB ASN 56 8.028 17.990 16.453 420 2HB ASN 56 2HB ASN 56 6.307 17.908 16.774 421 1HD2 ASN 56 1HD2 ASN 56 6.699 19.374 18.496 422 2HD2 ASN 56 2HD2 ASN 56 7.275 18.828 20.036 423 H CYS 57 H CYS 57 6.425 14.116 14.935 424 HA CYS 57 HA CYS 57 4.493 13.229 14.378 425 1HB CYS 57 1HB CYS 57 3.369 14.646 16.816 426 2HB CYS 57 2HB CYS 57 2.477 13.499 15.836 427 HG CYS 57 HG CYS 57 4.759 11.788 16.023 428 H MET 58 H MET 58 4.826 14.679 12.466 429 HA MET 58 HA MET 58 2.550 16.394 12.184 430 1HB MET 58 1HB MET 58 5.428 17.365 12.233 431 2HB MET 58 2HB MET 58 4.312 18.146 11.129 432 1HG MET 58 1HG MET 58 2.845 18.034 13.516 433 2HG MET 58 2HG MET 58 4.477 18.343 14.077 434 1HE MET 58 1HE MET 58 2.597 20.720 10.665 435 2HE MET 58 2HE MET 58 2.499 18.971 10.981 436 3HE MET 58 3HE MET 58 1.441 20.097 11.865 437 H TRP 59 H TRP 59 1.688 15.363 10.413 438 HA TRP 59 HA TRP 59 2.873 13.828 8.580 439 1HB TRP 59 1HB TRP 59 0.755 15.849 7.848 440 2HB TRP 59 2HB TRP 59 1.061 14.296 7.096 441 HD1 TRP 59 HD TRP 59 -0.843 15.844 9.983 442 HE1 TRP 59 1HE TRP 59 -2.263 14.061 11.313 443 HE3 TRP 59 3HE TRP 59 1.238 11.766 7.771 444 HZ2 TRP 59 2HZ TRP 59 -2.354 11.209 11.290 445 HZ3 TRP 59 3HZ TRP 59 0.425 9.518 8.482 446 HH2 TRP 59 HH TRP 59 -1.306 9.203 10.178 447 H SER 60 H SER 60 4.191 14.060 6.759 448 HA SER 60 HA SER 60 4.911 16.807 6.107 449 1HB SER 60 1HB SER 60 6.769 15.931 7.374 450 2HB SER 60 2HB SER 60 6.737 14.408 6.508 451 HG SER 60 HG SER 60 7.934 15.252 4.939 452 H LYS 61 H LYS 61 4.169 17.174 4.048 453 HA LYS 61 HA LYS 61 3.374 15.196 2.299 454 1HB LYS 61 1HB LYS 61 4.270 18.025 1.673 455 2HB LYS 61 2HB LYS 61 3.330 16.993 0.616 456 1HG LYS 61 1HG LYS 61 1.886 16.867 3.000 457 2HG LYS 61 2HG LYS 61 2.472 18.517 3.009 458 1HD LYS 61 1HD LYS 61 1.628 18.128 0.350 459 2HD LYS 61 2HD LYS 61 0.425 17.275 1.295 460 1HE LYS 61 1HE LYS 61 -0.472 19.439 1.292 461 2HE LYS 61 2HE LYS 61 0.426 19.460 2.796 462 1HZ LYS 61 1HZ LYS 61 1.812 20.960 1.980 463 2HZ LYS 61 2HZ LYS 61 2.021 20.181 0.560 464 3HZ LYS 61 3HZ LYS 61 0.748 21.183 0.762 465 H LYS 62 H LYS 62 4.422 13.783 0.998 466 HA LYS 62 HA LYS 62 7.285 14.294 0.583 467 1HB LYS 62 1HB LYS 62 6.121 12.154 1.861 468 2HB LYS 62 2HB LYS 62 6.308 11.536 0.232 469 1HG LYS 62 1HG LYS 62 8.696 13.024 1.081 470 2HG LYS 62 2HG LYS 62 8.322 11.734 2.207 471 1HD LYS 62 1HD LYS 62 8.594 10.046 0.592 472 2HD LYS 62 2HD LYS 62 8.220 11.115 -0.747 473 1HE LYS 62 1HE LYS 62 10.523 10.979 -1.022 474 2HE LYS 62 2HE LYS 62 10.459 12.362 0.052 475 1HZ LYS 62 1HZ LYS 62 10.473 10.347 1.778 476 2HZ LYS 62 2HZ LYS 62 11.378 9.705 0.580 477 3HZ LYS 62 3HZ LYS 62 11.820 11.118 1.271 478 H CYS 63 H CYS 63 4.181 13.205 -0.870 479 HA CYS 63 HA CYS 63 4.823 14.370 -3.325 480 1HB CYS 63 1HB CYS 63 5.014 12.350 -4.740 481 2HB CYS 63 2HB CYS 63 6.379 12.546 -3.659 482 HG CYS 63 HG CYS 63 5.421 9.986 -4.024 483 H SER 64 H SER 64 3.089 13.278 -5.055 484 HA SER 64 HA SER 64 0.840 12.102 -3.877 485 1HB SER 64 1HB SER 64 0.194 14.896 -4.800 486 2HB SER 64 2HB SER 64 -0.691 13.865 -3.693 487 HG SER 64 HG SER 64 0.391 15.627 -2.593 488 H GLY 65 H GLY 65 -0.995 11.932 -5.544 489 1HA GLY 65 1HA GLY 65 -1.063 12.791 -8.084 490 2HA GLY 65 2HA GLY 65 0.184 11.563 -8.166 491 H VAL 66 H VAL 66 -1.144 10.208 -9.527 492 HA VAL 66 HA VAL 66 -3.641 9.271 -8.394 493 HB VAL 66 HB VAL 66 -2.352 8.309 -10.932 494 1HG1 VAL 66 1HG1 VAL 66 -4.672 7.586 -9.702 495 2HG1 VAL 66 2HG1 VAL 66 -5.251 8.888 -10.770 496 3HG1 VAL 66 3HG1 VAL 66 -4.392 7.487 -11.457 497 1HG2 VAL 66 1HG2 VAL 66 -2.153 10.655 -11.206 498 2HG2 VAL 66 2HG2 VAL 66 -3.640 10.194 -12.070 499 3HG2 VAL 66 3HG2 VAL 66 -3.743 10.957 -10.465 500 H ALA 67 H ALA 67 -3.815 7.473 -7.158 501 HA ALA 67 HA ALA 67 -1.526 5.628 -7.213 502 1HB ALA 67 1HB ALA 67 -2.266 7.117 -5.101 503 2HB ALA 67 2HB ALA 67 -3.387 5.754 -4.872 504 3HB ALA 67 3HB ALA 67 -1.631 5.464 -4.921 505 H CYS 68 H CYS 68 -1.927 3.456 -7.567 506 HA CYS 68 HA CYS 68 -4.756 2.730 -7.796 507 1HB CYS 68 1HB CYS 68 -4.172 1.298 -9.730 508 2HB CYS 68 2HB CYS 68 -3.921 3.003 -10.051 509 HG CYS 68 HG CYS 68 -1.911 0.502 -9.859 510 H LEU 69 H LEU 69 -5.273 0.684 -6.911 511 HA LEU 69 HA LEU 69 -3.132 -0.499 -5.332 512 1HB LEU 69 1HB LEU 69 -5.004 -0.010 -4.036 513 2HB LEU 69 2HB LEU 69 -6.130 -0.575 -5.253 514 HG LEU 69 HG LEU 69 -4.987 -2.913 -4.790 515 1HD1 LEU 69 1HD1 LEU 69 -4.121 -1.223 -2.489 516 2HD1 LEU 69 2HD1 LEU 69 -4.633 -2.895 -2.160 517 3HD1 LEU 69 3HD1 LEU 69 -3.299 -2.581 -3.295 518 1HD2 LEU 69 1HD2 LEU 69 -7.032 -1.603 -2.979 519 2HD2 LEU 69 2HD2 LEU 69 -7.339 -2.501 -4.485 520 3HD2 LEU 69 3HD2 LEU 69 -6.708 -3.353 -3.055 521 H VAL 70 H VAL 70 -1.924 -2.008 -6.351 522 HA VAL 70 HA VAL 70 -3.342 -3.797 -8.199 523 HB VAL 70 HB VAL 70 -0.554 -2.688 -8.113 524 1HG1 VAL 70 1HG1 VAL 70 -0.360 -5.159 -8.302 525 2HG1 VAL 70 2HG1 VAL 70 -1.403 -5.104 -9.744 526 3HG1 VAL 70 3HG1 VAL 70 0.187 -4.304 -9.763 527 1HG2 VAL 70 1HG2 VAL 70 -1.690 -2.939 -10.732 528 2HG2 VAL 70 2HG2 VAL 70 -2.903 -2.211 -9.652 529 3HG2 VAL 70 3HG2 VAL 70 -1.296 -1.463 -9.820 530 H LYS 71 H LYS 71 -3.061 -6.055 -7.995 531 HA LYS 71 HA LYS 71 -1.642 -6.875 -5.560 532 1HB LYS 71 1HB LYS 71 -3.415 -8.475 -5.089 533 2HB LYS 71 2HB LYS 71 -4.046 -6.842 -5.114 534 1HG LYS 71 1HG LYS 71 -5.639 -7.763 -6.491 535 2HG LYS 71 2HG LYS 71 -4.435 -7.484 -7.733 536 1HD LYS 71 1HD LYS 71 -4.359 -9.710 -8.143 537 2HD LYS 71 2HD LYS 71 -3.742 -9.977 -6.525 538 1HE LYS 71 1HE LYS 71 -5.690 -10.976 -5.933 539 2HE LYS 71 2HE LYS 71 -6.564 -9.494 -6.270 540 1HZ LYS 71 1HZ LYS 71 -6.057 -11.739 -8.060 541 2HZ LYS 71 2HZ LYS 71 -7.474 -11.005 -7.712 542 3HZ LYS 71 3HZ LYS 71 -6.386 -10.264 -8.679 543 H ASP 72 H ASP 72 -0.167 -8.479 -5.854 544 HA ASP 72 HA ASP 72 0.055 -9.480 -8.538 545 1HB ASP 72 1HB ASP 72 1.799 -9.424 -6.074 546 2HB ASP 72 2HB ASP 72 2.136 -10.643 -7.286 547 H ASN 73 H ASN 73 -1.226 -11.304 -8.944 548 HA ASN 73 HA ASN 73 -2.054 -13.299 -8.781 549 1HB ASN 73 1HB ASN 73 -0.365 -14.096 -6.404 550 2HB ASN 73 2HB ASN 73 -0.767 -15.033 -7.829 551 1HD2 ASN 73 1HD2 ASN 73 -0.057 -13.663 -9.932 552 2HD2 ASN 73 2HD2 ASN 73 1.625 -13.249 -9.955 553 HA PRO 74 HA PRO 74 -4.874 -12.936 -5.435 554 1HB PRO 74 1HB PRO 74 -6.368 -15.198 -5.783 555 2HB PRO 74 2HB PRO 74 -6.616 -13.733 -6.713 556 1HG PRO 74 1HG PRO 74 -5.340 -16.266 -7.551 557 2HG PRO 74 2HG PRO 74 -5.975 -14.972 -8.549 558 1HD PRO 74 1HD PRO 74 -3.214 -15.504 -7.978 559 2HD PRO 74 2HD PRO 74 -3.857 -14.145 -8.881 560 H GLN 75 H GLN 75 -2.404 -15.083 -5.503 561 HA GLN 75 HA GLN 75 -2.771 -15.523 -2.692 562 1HB GLN 75 1HB GLN 75 -3.010 -17.687 -4.736 563 2HB GLN 75 2HB GLN 75 -1.994 -18.063 -3.358 564 1HG GLN 75 1HG GLN 75 -4.162 -16.891 -2.104 565 2HG GLN 75 2HG GLN 75 -4.943 -17.644 -3.480 566 1HE2 GLN 75 1HE2 GLN 75 -5.158 -19.803 -3.604 567 2HE2 GLN 75 2HE2 GLN 75 -4.661 -20.929 -2.384 568 H ARG 76 H ARG 76 -0.969 -13.839 -3.121 569 HA ARG 76 HA ARG 76 1.485 -15.245 -2.897 570 1HB ARG 76 1HB ARG 76 1.165 -14.906 -5.419 571 2HB ARG 76 2HB ARG 76 1.225 -13.178 -5.136 572 1HG ARG 76 1HG ARG 76 3.472 -13.537 -5.572 573 2HG ARG 76 2HG ARG 76 3.494 -13.810 -3.841 574 1HD ARG 76 1HD ARG 76 3.710 -16.130 -4.059 575 2HD ARG 76 2HD ARG 76 2.863 -16.179 -5.592 576 HE ARG 76 HE ARG 76 5.267 -14.700 -5.987 577 1HH1 ARG 76 2HH2 ARG 76 4.255 -17.989 -5.251 578 2HH1 ARG 76 1HH2 ARG 76 5.647 -18.717 -5.981 579 1HH2 ARG 76 2HH1 ARG 76 7.104 -15.660 -6.951 580 2HH2 ARG 76 1HH1 ARG 76 7.277 -17.383 -6.954 581 H SER 77 H SER 77 0.252 -11.924 -3.778 582 HA SER 77 HA SER 77 0.425 -10.809 -1.336 583 1HB SER 77 1HB SER 77 3.103 -11.163 -2.531 584 2HB SER 77 2HB SER 77 2.773 -9.497 -2.099 585 HG SER 77 HG SER 77 2.853 -11.818 -0.408 586 H TYR 78 H TYR 78 0.542 -8.297 -1.489 587 HA TYR 78 HA TYR 78 -0.311 -7.498 -4.192 588 1HB TYR 78 1HB TYR 78 -1.042 -6.295 -1.459 589 2HB TYR 78 2HB TYR 78 -1.862 -5.996 -2.978 590 HD1 TYR 78 1HD TYR 78 -2.968 -7.006 -0.219 591 HD2 TYR 78 2HD TYR 78 -1.920 -8.969 -3.874 592 HE1 TYR 78 1HE TYR 78 -4.618 -8.869 0.300 593 HE2 TYR 78 2HE TYR 78 -3.574 -10.826 -3.342 594 HH TYR 78 HH TYR 78 -4.982 -11.625 -1.917 595 H PHE 79 H PHE 79 -0.006 -5.106 -4.636 596 HA PHE 79 HA PHE 79 2.097 -3.880 -3.069 597 1HB PHE 79 1HB PHE 79 2.230 -4.649 -6.044 598 2HB PHE 79 2HB PHE 79 3.341 -3.504 -5.321 599 HD1 PHE 79 1HD PHE 79 2.148 -7.014 -4.980 600 HD2 PHE 79 2HD PHE 79 5.317 -4.262 -4.354 601 HE1 PHE 79 1HE PHE 79 3.656 -8.904 -4.306 602 HE2 PHE 79 2HE PHE 79 6.826 -6.152 -3.680 603 HZ PHE 79 HZ PHE 79 5.977 -8.451 -3.663 604 H LEU 80 H LEU 80 1.810 -1.684 -2.957 605 HA LEU 80 HA LEU 80 -0.067 -0.543 -4.908 606 1HB LEU 80 1HB LEU 80 -1.165 -0.593 -2.837 607 2HB LEU 80 2HB LEU 80 0.266 -0.092 -1.956 608 HG LEU 80 HG LEU 80 0.079 2.139 -3.199 609 1HD1 LEU 80 1HD1 LEU 80 -1.628 2.613 -4.568 610 2HD1 LEU 80 2HD1 LEU 80 -1.818 0.847 -4.691 611 3HD1 LEU 80 3HD1 LEU 80 -2.816 1.773 -3.545 612 1HD2 LEU 80 1HD2 LEU 80 -0.426 2.408 -1.003 613 2HD2 LEU 80 2HD2 LEU 80 -2.043 2.716 -1.681 614 3HD2 LEU 80 3HD2 LEU 80 -1.651 1.116 -1.005 615 H ARG 81 H ARG 81 0.532 1.318 -5.990 616 HA ARG 81 HA ARG 81 3.007 2.536 -5.113 617 1HB ARG 81 1HB ARG 81 2.430 1.820 -8.031 618 2HB ARG 81 2HB ARG 81 3.888 2.577 -7.423 619 1HG ARG 81 1HG ARG 81 3.051 -0.075 -6.243 620 2HG ARG 81 2HG ARG 81 3.770 -0.065 -7.841 621 1HD ARG 81 1HD ARG 81 5.393 1.662 -6.239 622 2HD ARG 81 2HD ARG 81 5.074 0.248 -5.254 623 HE ARG 81 HE ARG 81 6.595 0.325 -7.778 624 1HH1 ARG 81 2HH2 ARG 81 4.965 -1.693 -5.400 625 2HH1 ARG 81 1HH2 ARG 81 5.821 -3.132 -5.845 626 1HH2 ARG 81 2HH1 ARG 81 7.725 -1.573 -8.365 627 2HH2 ARG 81 1HH1 ARG 81 7.402 -3.062 -7.544 628 H ILE 82 H ILE 82 3.335 4.748 -6.206 629 HA ILE 82 HA ILE 82 0.753 5.874 -7.033 630 HB ILE 82 HB ILE 82 2.663 6.804 -4.923 631 1HG1 ILE 82 1HG1 ILE 82 -0.301 7.133 -4.805 632 2HG1 ILE 82 2HG1 ILE 82 0.331 5.500 -4.714 633 1HG2 ILE 82 1HG2 ILE 82 2.624 8.721 -6.319 634 2HG2 ILE 82 2HG2 ILE 82 0.877 8.559 -6.618 635 3HG2 ILE 82 3HG2 ILE 82 1.464 9.026 -5.004 636 1HD1 ILE 82 1HD1 ILE 82 0.765 5.865 -2.522 637 2HD1 ILE 82 2HD1 ILE 82 2.015 7.031 -3.020 638 3HD1 ILE 82 3HD1 ILE 82 0.359 7.590 -2.685 639 H PHE 83 H PHE 83 0.838 7.458 -8.670 640 HA PHE 83 HA PHE 83 3.504 7.782 -9.857 641 1HB PHE 83 1HB PHE 83 1.522 8.109 -11.858 642 2HB PHE 83 2HB PHE 83 2.520 6.684 -11.646 643 HD1 PHE 83 1HD PHE 83 1.564 5.184 -9.522 644 HD2 PHE 83 2HD PHE 83 -0.710 7.654 -12.118 645 HE1 PHE 83 1HE PHE 83 -0.485 3.825 -9.020 646 HE2 PHE 83 2HE PHE 83 -2.759 6.294 -11.616 647 HZ PHE 83 HZ PHE 83 -2.623 4.395 -10.073 648 H ASP 84 H ASP 84 4.002 9.830 -10.772 649 HA ASP 84 HA ASP 84 2.594 11.951 -9.547 650 1HB ASP 84 1HB ASP 84 5.127 11.764 -10.129 651 2HB ASP 84 2HB ASP 84 4.666 12.188 -11.765 652 H ILE 85 H ILE 85 1.595 13.793 -10.786 653 HA ILE 85 HA ILE 85 0.257 12.796 -13.169 654 HB ILE 85 HB ILE 85 -1.180 13.622 -11.470 655 1HG1 ILE 85 1HG1 ILE 85 -1.073 15.845 -13.513 656 2HG1 ILE 85 2HG1 ILE 85 -1.570 14.220 -13.940 657 1HG2 ILE 85 1HG2 ILE 85 -0.765 16.341 -11.177 658 2HG2 ILE 85 2HG2 ILE 85 -0.340 15.074 -10.001 659 3HG2 ILE 85 3HG2 ILE 85 0.882 15.666 -11.152 660 1HD1 ILE 85 1HD1 ILE 85 -3.005 16.279 -12.359 661 2HD1 ILE 85 2HD1 ILE 85 -3.651 14.922 -13.313 662 3HD1 ILE 85 3HD1 ILE 85 -3.066 14.645 -11.654 663 H LYS 86 H LYS 86 3.019 14.592 -12.297 664 HA LYS 86 HA LYS 86 2.920 16.039 -14.852 665 1HB LYS 86 1HB LYS 86 3.972 16.746 -12.153 666 2HB LYS 86 2HB LYS 86 4.904 17.285 -13.536 667 1HG LYS 86 1HG LYS 86 3.443 19.054 -13.517 668 2HG LYS 86 2HG LYS 86 2.399 17.958 -14.400 669 1HD LYS 86 1HD LYS 86 1.253 17.282 -12.340 670 2HD LYS 86 2HD LYS 86 2.397 18.171 -11.354 671 1HE LYS 86 1HE LYS 86 0.519 19.438 -13.408 672 2HE LYS 86 2HE LYS 86 0.230 19.403 -11.679 673 1HZ LYS 86 1HZ LYS 86 1.682 21.255 -13.051 674 2HZ LYS 86 2HZ LYS 86 1.579 21.109 -11.427 675 3HZ LYS 86 3HZ LYS 86 2.803 20.391 -12.236 676 H ASP 87 H ASP 87 4.908 14.020 -12.623 677 HA ASP 87 HA ASP 87 6.955 13.814 -14.603 678 1HB ASP 87 1HB ASP 87 7.085 13.725 -11.940 679 2HB ASP 87 2HB ASP 87 6.737 12.022 -12.172 680 H GLY 88 H GLY 88 3.929 12.334 -13.877 681 1HA GLY 88 1HA GLY 88 2.947 10.368 -14.409 682 2HA GLY 88 2HA GLY 88 3.772 10.600 -15.937 683 H LYS 89 H LYS 89 5.281 9.983 -12.714 684 HA LYS 89 HA LYS 89 5.953 7.288 -13.591 685 1HB LYS 89 1HB LYS 89 7.850 9.545 -13.324 686 2HB LYS 89 2HB LYS 89 8.337 8.068 -12.515 687 1HG LYS 89 1HG LYS 89 7.683 6.866 -14.754 688 2HG LYS 89 2HG LYS 89 7.708 8.469 -15.463 689 1HD LYS 89 1HD LYS 89 10.092 8.561 -14.159 690 2HD LYS 89 2HD LYS 89 9.985 6.827 -14.393 691 1HE LYS 89 1HE LYS 89 10.328 6.985 -16.654 692 2HE LYS 89 2HE LYS 89 9.255 8.360 -16.820 693 1HZ LYS 89 1HZ LYS 89 11.011 9.748 -15.920 694 2HZ LYS 89 2HZ LYS 89 12.010 8.462 -15.803 695 3HZ LYS 89 3HZ LYS 89 11.509 8.975 -17.270 696 H LEU 90 H LEU 90 7.140 6.132 -11.646 697 HA LEU 90 HA LEU 90 5.341 6.214 -9.503 698 1HB LEU 90 1HB LEU 90 6.246 4.158 -9.762 699 2HB LEU 90 2HB LEU 90 7.823 4.769 -10.219 700 HG LEU 90 HG LEU 90 7.204 5.369 -7.431 701 1HD1 LEU 90 1HD1 LEU 90 7.724 2.497 -7.592 702 2HD1 LEU 90 2HD1 LEU 90 6.591 3.408 -6.564 703 3HD1 LEU 90 3HD1 LEU 90 6.125 2.956 -8.221 704 1HD2 LEU 90 1HD2 LEU 90 9.413 4.707 -7.060 705 2HD2 LEU 90 2HD2 LEU 90 9.431 3.629 -8.476 706 3HD2 LEU 90 3HD2 LEU 90 9.438 5.395 -8.703 707 H LEU 91 H LEU 91 5.232 7.490 -7.730 708 HA LEU 91 HA LEU 91 7.614 9.112 -7.158 709 1HB LEU 91 1HB LEU 91 4.751 9.749 -7.386 710 2HB LEU 91 2HB LEU 91 5.532 10.418 -5.967 711 HG LEU 91 HG LEU 91 6.346 10.860 -8.852 712 1HD1 LEU 91 1HD1 LEU 91 4.371 12.108 -8.315 713 2HD1 LEU 91 2HD1 LEU 91 5.081 12.677 -6.786 714 3HD1 LEU 91 3HD1 LEU 91 5.753 13.230 -8.339 715 1HD2 LEU 91 1HD2 LEU 91 7.690 12.671 -7.155 716 2HD2 LEU 91 2HD2 LEU 91 7.921 11.051 -6.455 717 3HD2 LEU 91 3HD2 LEU 91 8.385 11.365 -8.144 718 H TRP 92 H TRP 92 5.628 6.527 -6.134 719 HA TRP 92 HA TRP 92 7.027 6.380 -3.653 720 1HB TRP 92 1HB TRP 92 5.288 8.017 -3.058 721 2HB TRP 92 2HB TRP 92 4.047 6.882 -3.553 722 HD1 TRP 92 HD TRP 92 6.824 7.171 -0.837 723 HE1 TRP 92 1HE TRP 92 6.174 5.783 1.311 724 HE3 TRP 92 3HE TRP 92 2.603 5.121 -2.796 725 HZ2 TRP 92 2HZ TRP 92 4.016 4.024 1.936 726 HZ3 TRP 92 3HZ TRP 92 1.283 3.579 -1.351 727 HH2 TRP 92 HH TRP 92 1.928 3.020 0.940 728 H GLU 93 H GLU 93 6.847 4.222 -2.781 729 HA GLU 93 HA GLU 93 5.208 2.444 -4.398 730 1HB GLU 93 1HB GLU 93 7.028 0.809 -4.523 731 2HB GLU 93 2HB GLU 93 7.558 2.332 -5.208 732 1HG GLU 93 1HG GLU 93 8.822 2.900 -3.216 733 2HG GLU 93 2HG GLU 93 8.087 1.600 -2.297 734 H GLN 94 H GLN 94 4.300 0.658 -3.268 735 HA GLN 94 HA GLN 94 4.905 0.647 -0.415 736 1HB GLN 94 1HB GLN 94 2.714 1.765 -0.887 737 2HB GLN 94 2HB GLN 94 2.151 0.310 -1.684 738 1HG GLN 94 1HG GLN 94 1.535 0.682 0.840 739 2HG GLN 94 2HG GLN 94 2.027 -0.917 0.321 740 1HE2 GLN 94 1HE2 GLN 94 3.148 -1.810 1.874 741 2HE2 GLN 94 2HE2 GLN 94 4.461 -1.104 2.757 742 H GLU 95 H GLU 95 5.148 -1.391 0.539 743 HA GLU 95 HA GLU 95 4.865 -3.607 -1.337 744 1HB GLU 95 1HB GLU 95 6.862 -3.036 0.865 745 2HB GLU 95 2HB GLU 95 6.565 -4.690 0.372 746 1HG GLU 95 1HG GLU 95 7.223 -4.216 -1.924 747 2HG GLU 95 2HG GLU 95 7.251 -2.490 -1.625 748 H LEU 96 H LEU 96 2.513 -3.544 -0.606 749 HA LEU 96 HA LEU 96 1.523 -3.828 1.845 750 1HB LEU 96 1HB LEU 96 0.760 -5.513 -0.545 751 2HB LEU 96 2HB LEU 96 -0.231 -5.244 0.875 752 HG LEU 96 HG LEU 96 0.659 -3.111 -1.088 753 1HD1 LEU 96 1HD1 LEU 96 -0.940 -4.390 -2.220 754 2HD1 LEU 96 2HD1 LEU 96 -1.919 -4.639 -0.754 755 3HD1 LEU 96 3HD1 LEU 96 -1.868 -3.038 -1.527 756 1HD2 LEU 96 1HD2 LEU 96 -0.799 -1.591 0.113 757 2HD2 LEU 96 2HD2 LEU 96 -1.234 -2.875 1.266 758 3HD2 LEU 96 3HD2 LEU 96 0.434 -2.256 1.213 759 H TYR 97 H TYR 97 1.183 -5.467 3.415 760 HA TYR 97 HA TYR 97 3.277 -7.489 3.366 761 1HB TYR 97 1HB TYR 97 1.192 -6.918 5.534 762 2HB TYR 97 2HB TYR 97 2.832 -7.496 5.762 763 HD1 TYR 97 1HD TYR 97 0.702 -4.641 5.802 764 HD2 TYR 97 2HD TYR 97 4.756 -5.842 5.148 765 HE1 TYR 97 1HE TYR 97 1.486 -2.264 6.249 766 HE2 TYR 97 2HE TYR 97 5.527 -3.460 5.597 767 HH TYR 97 HH TYR 97 4.062 -1.360 7.162 768 H ASN 98 H ASN 98 2.751 -9.724 4.156 769 HA ASN 98 HA ASN 98 0.959 -10.934 2.548 770 1HB ASN 98 1HB ASN 98 2.649 -12.229 3.732 771 2HB ASN 98 2HB ASN 98 2.027 -11.741 5.296 772 1HD2 ASN 98 1HD2 ASN 98 0.908 -13.253 2.270 773 2HD2 ASN 98 2HD2 ASN 98 -0.068 -14.490 2.990 774 H ASN 99 H ASN 99 0.541 -9.554 5.846 775 HA ASN 99 HA ASN 99 -2.291 -10.220 5.655 776 1HB ASN 99 1HB ASN 99 -0.503 -10.813 7.719 777 2HB ASN 99 2HB ASN 99 -1.243 -9.335 8.300 778 1HD2 ASN 99 1HD2 ASN 99 -3.624 -9.211 8.215 779 2HD2 ASN 99 2HD2 ASN 99 -4.552 -10.626 8.581 780 H PHE 100 H PHE 100 -1.273 -7.976 4.247 781 HA PHE 100 HA PHE 100 -1.024 -5.614 5.603 782 1HB PHE 100 1HB PHE 100 -0.667 -5.941 3.162 783 2HB PHE 100 2HB PHE 100 -2.348 -6.381 2.937 784 HD1 PHE 100 1HD PHE 100 -0.358 -3.516 4.283 785 HD2 PHE 100 2HD PHE 100 -3.743 -4.777 2.056 786 HE1 PHE 100 1HE PHE 100 -0.918 -1.122 3.776 787 HE2 PHE 100 2HE PHE 100 -4.302 -2.383 1.549 788 HZ PHE 100 HZ PHE 100 -2.883 -0.585 2.415 789 H VAL 101 H VAL 101 -2.394 -4.110 6.536 790 HA VAL 101 HA VAL 101 -5.261 -4.732 6.389 791 HB VAL 101 HB VAL 101 -4.404 -5.482 8.515 792 1HG1 VAL 101 1HG1 VAL 101 -3.191 -4.133 10.052 793 2HG1 VAL 101 2HG1 VAL 101 -2.385 -3.939 8.477 794 3HG1 VAL 101 3HG1 VAL 101 -3.462 -2.661 9.091 795 1HG2 VAL 101 1HG2 VAL 101 -6.049 -4.554 9.824 796 2HG2 VAL 101 2HG2 VAL 101 -5.716 -2.897 9.267 797 3HG2 VAL 101 3HG2 VAL 101 -6.600 -4.028 8.216 798 H TYR 102 H TYR 102 -6.681 -2.855 6.602 799 HA TYR 102 HA TYR 102 -5.275 -0.354 5.941 800 1HB TYR 102 1HB TYR 102 -7.058 -1.969 4.434 801 2HB TYR 102 2HB TYR 102 -8.122 -0.756 5.118 802 HD1 TYR 102 1HD TYR 102 -4.578 -0.242 4.083 803 HD2 TYR 102 2HD TYR 102 -8.697 0.478 3.181 804 HE1 TYR 102 1HE TYR 102 -3.900 1.390 2.255 805 HE2 TYR 102 2HE TYR 102 -8.005 2.108 1.356 806 HH TYR 102 HH TYR 102 -6.351 3.221 0.473 807 H ASN 103 H ASN 103 -5.548 1.218 7.438 808 HA ASN 103 HA ASN 103 -7.889 0.955 9.149 809 1HB ASN 103 1HB ASN 103 -5.102 2.090 9.557 810 2HB ASN 103 2HB ASN 103 -6.414 2.706 10.542 811 1HD2 ASN 103 1HD2 ASN 103 -4.086 1.192 11.333 812 2HD2 ASN 103 2HD2 ASN 103 -4.630 -0.259 12.107 813 H SER 104 H SER 104 -9.250 2.836 9.436 814 HA SER 104 HA SER 104 -8.437 5.235 8.053 815 1HB SER 104 1HB SER 104 -9.662 4.330 6.265 816 2HB SER 104 2HB SER 104 -10.802 3.513 7.317 817 HG SER 104 HG SER 104 -11.829 5.494 7.780 818 HA PRO 105 HA PRO 105 -10.481 6.008 12.014 819 1HB PRO 105 1HB PRO 105 -8.627 7.741 13.024 820 2HB PRO 105 2HB PRO 105 -8.598 6.018 13.340 821 1HG PRO 105 1HG PRO 105 -6.873 7.599 11.533 822 2HG PRO 105 2HG PRO 105 -6.604 5.993 12.182 823 1HD PRO 105 1HD PRO 105 -7.449 6.650 9.521 824 2HD PRO 105 2HD PRO 105 -7.292 5.044 10.204 825 H ARG 106 H ARG 106 -9.765 7.721 9.279 826 HA ARG 106 HA ARG 106 -11.294 9.968 10.321 827 1HB ARG 106 1HB ARG 106 -8.883 9.809 8.671 828 2HB ARG 106 2HB ARG 106 -10.137 10.676 7.805 829 1HG ARG 106 1HG ARG 106 -9.265 11.308 10.665 830 2HG ARG 106 2HG ARG 106 -8.698 12.166 9.246 831 1HD ARG 106 1HD ARG 106 -10.793 13.172 8.839 832 2HD ARG 106 2HD ARG 106 -11.681 11.911 9.671 833 HE ARG 106 HE ARG 106 -11.318 13.012 11.718 834 1HH1 ARG 106 2HH2 ARG 106 -9.241 14.397 9.238 835 2HH1 ARG 106 1HH2 ARG 106 -8.739 15.731 10.223 836 1HH2 ARG 106 2HH1 ARG 106 -10.656 14.771 13.018 837 2HH2 ARG 106 1HH1 ARG 106 -9.549 15.945 12.387 838 H GLY 107 H GLY 107 -12.121 11.151 7.910 839 1HA GLY 107 1HA GLY 107 -14.241 9.391 7.118 840 2HA GLY 107 2HA GLY 107 -13.937 11.024 6.560 841 H TYR 108 H TYR 108 -11.505 11.035 5.361 842 HA TYR 108 HA TYR 108 -11.556 8.786 3.473 843 1HB TYR 108 1HB TYR 108 -11.131 10.594 1.717 844 2HB TYR 108 2HB TYR 108 -12.697 10.769 2.484 845 HD1 TYR 108 1HD TYR 108 -13.041 12.545 4.226 846 HD2 TYR 108 2HD TYR 108 -9.438 12.279 1.934 847 HE1 TYR 108 1HE TYR 108 -12.452 14.935 4.861 848 HE2 TYR 108 2HE TYR 108 -8.861 14.670 2.576 849 HH TYR 108 HH TYR 108 -11.134 16.748 4.012 850 H PHE 109 H PHE 109 -9.843 8.912 5.714 851 HA PHE 109 HA PHE 109 -7.307 9.328 4.329 852 1HB PHE 109 1HB PHE 109 -8.350 11.060 6.264 853 2HB PHE 109 2HB PHE 109 -7.459 9.936 7.271 854 HD1 PHE 109 1HD PHE 109 -7.045 12.999 6.479 855 HD2 PHE 109 2HD PHE 109 -5.176 9.348 5.389 856 HE1 PHE 109 1HE PHE 109 -4.919 14.236 5.979 857 HE2 PHE 109 2HE PHE 109 -3.051 10.585 4.890 858 HZ PHE 109 HZ PHE 109 -2.947 13.015 5.190 859 H HIS 110 H HIS 110 -6.486 7.285 4.207 860 HA HIS 110 HA HIS 110 -6.960 5.527 6.481 861 1HB HIS 110 1HB HIS 110 -5.816 4.785 3.782 862 2HB HIS 110 2HB HIS 110 -6.447 3.709 5.012 863 HD2 HIS 110 2HD HIS 110 -9.133 6.160 5.100 864 HE1 HIS 110 1HE HIS 110 -10.090 3.884 1.634 865 HE2 HIS 110 2HE HIS 110 -10.950 5.544 3.424 866 H THR 111 H THR 111 -5.342 4.962 7.878 867 HA THR 111 HA THR 111 -2.671 6.004 7.233 868 HB THR 111 HB THR 111 -2.482 5.646 9.833 869 HG1 THR 111 1HG THR 111 -4.490 4.338 9.839 870 1HG2 THR 111 1HG2 THR 111 -4.393 7.663 8.557 871 2HG2 THR 111 2HG2 THR 111 -3.983 7.697 10.289 872 3HG2 THR 111 3HG2 THR 111 -2.710 7.939 9.069 873 H PHE 112 H PHE 112 -0.848 4.728 7.259 874 HA PHE 112 HA PHE 112 -1.169 1.951 8.018 875 1HB PHE 112 1HB PHE 112 -0.472 1.172 5.794 876 2HB PHE 112 2HB PHE 112 -1.813 2.274 5.543 877 HD1 PHE 112 1HD PHE 112 -0.985 4.845 5.304 878 HD2 PHE 112 2HD PHE 112 1.318 1.405 4.374 879 HE1 PHE 112 1HE PHE 112 0.433 6.215 3.750 880 HE2 PHE 112 2HE PHE 112 2.736 2.774 2.819 881 HZ PHE 112 HZ PHE 112 2.276 5.163 2.526 882 H ALA 113 H ALA 113 1.320 1.237 6.516 883 HA ALA 113 HA ALA 113 3.247 2.921 7.955 884 1HB ALA 113 1HB ALA 113 3.296 1.113 9.381 885 2HB ALA 113 2HB ALA 113 2.756 -0.030 8.130 886 3HB ALA 113 3HB ALA 113 4.445 0.530 8.154 887 H GLY 114 H GLY 114 5.268 3.190 6.897 888 1HA GLY 114 1HA GLY 114 5.411 2.038 4.178 889 2HA GLY 114 2HA GLY 114 5.681 3.744 4.477 890 H ASP 115 H ASP 115 7.282 0.915 3.902 891 HA ASP 115 HA ASP 115 9.285 0.148 4.239 892 1HB ASP 115 1HB ASP 115 10.160 2.109 3.229 893 2HB ASP 115 2HB ASP 115 9.705 3.126 4.581 894 H THR 116 H THR 116 9.973 2.831 6.520 895 HA THR 116 HA THR 116 9.480 1.103 8.819 896 HB THR 116 HB THR 116 11.827 0.639 8.116 897 HG1 THR 116 1HG THR 116 11.633 2.555 10.329 898 1HG2 THR 116 1HG2 THR 116 13.484 2.559 8.429 899 2HG2 THR 116 2HG2 THR 116 12.472 2.709 6.972 900 3HG2 THR 116 3HG2 THR 116 12.097 3.673 8.421 901 H CYS 117 H CYS 117 8.570 3.751 7.372 902 HA CYS 117 HA CYS 117 8.620 5.289 9.862 903 1HB CYS 117 1HB CYS 117 8.966 6.354 7.043 904 2HB CYS 117 2HB CYS 117 8.580 7.367 8.421 905 HG CYS 117 HG CYS 117 10.681 5.850 9.760 906 H GLN 118 H GLN 118 6.655 6.755 10.036 907 HA GLN 118 HA GLN 118 4.375 5.287 9.217 908 1HB GLN 118 1HB GLN 118 4.884 7.755 10.878 909 2HB GLN 118 2HB GLN 118 3.252 7.440 10.323 910 1HG GLN 118 1HG GLN 118 2.970 5.673 11.751 911 2HG GLN 118 2HG GLN 118 4.569 5.032 11.431 912 1HE2 GLN 118 1HE2 GLN 118 3.051 7.896 12.911 913 2HE2 GLN 118 2HE2 GLN 118 4.065 7.981 14.314 914 H VAL 119 H VAL 119 2.787 5.842 7.678 915 HA VAL 119 HA VAL 119 3.137 8.340 6.236 916 HB VAL 119 HB VAL 119 2.817 6.786 4.112 917 1HG1 VAL 119 1HG1 VAL 119 5.087 8.048 5.433 918 2HG1 VAL 119 2HG1 VAL 119 5.590 6.665 4.429 919 3HG1 VAL 119 3HG1 VAL 119 4.654 7.996 3.707 920 1HG2 VAL 119 1HG2 VAL 119 2.899 4.739 5.691 921 2HG2 VAL 119 2HG2 VAL 119 3.855 4.688 4.191 922 3HG2 VAL 119 3HG2 VAL 119 4.654 5.033 5.744 923 H ALA 120 H ALA 120 1.197 9.102 5.315 924 HA ALA 120 HA ALA 120 -1.131 7.362 5.728 925 1HB ALA 120 1HB ALA 120 -2.323 9.541 6.403 926 2HB ALA 120 2HB ALA 120 -1.205 8.833 7.594 927 3HB ALA 120 3HB ALA 120 -0.695 10.230 6.616 928 H LEU 121 H LEU 121 -2.949 7.858 4.293 929 HA LEU 121 HA LEU 121 -2.130 9.458 1.974 930 1HB LEU 121 1HB LEU 121 -3.331 7.773 0.572 931 2HB LEU 121 2HB LEU 121 -1.804 7.256 1.261 932 HG LEU 121 HG LEU 121 -4.106 6.563 2.944 933 1HD1 LEU 121 1HD1 LEU 121 -5.290 6.353 0.861 934 2HD1 LEU 121 2HD1 LEU 121 -3.947 5.437 0.137 935 3HD1 LEU 121 3HD1 LEU 121 -4.894 4.726 1.466 936 1HD2 LEU 121 1HD2 LEU 121 -1.679 5.163 1.831 937 2HD2 LEU 121 2HD2 LEU 121 -2.063 5.584 3.517 938 3HD2 LEU 121 3HD2 LEU 121 -2.956 4.278 2.701 939 H ASN 122 H ASN 122 -3.609 10.954 1.310 940 HA ASN 122 HA ASN 122 -6.247 10.704 2.530 941 1HB ASN 122 1HB ASN 122 -6.207 13.329 2.261 942 2HB ASN 122 2HB ASN 122 -5.337 12.613 3.602 943 1HD2 ASN 122 1HD2 ASN 122 -5.106 14.994 1.565 944 2HD2 ASN 122 2HD2 ASN 122 -3.413 15.054 1.200 945 H PHE 123 H PHE 123 -7.589 10.095 0.809 946 HA PHE 123 HA PHE 123 -6.975 10.565 -1.868 947 1HB PHE 123 1HB PHE 123 -9.699 10.162 -0.496 948 2HB PHE 123 2HB PHE 123 -9.334 9.763 -2.163 949 HD1 PHE 123 1HD PHE 123 -8.050 7.774 -2.714 950 HD2 PHE 123 2HD PHE 123 -8.915 8.746 1.325 951 HE1 PHE 123 1HE PHE 123 -7.402 5.452 -2.016 952 HE2 PHE 123 2HE PHE 123 -8.267 6.425 2.023 953 HZ PHE 123 HZ PHE 123 -7.519 4.805 0.345 954 H ALA 124 H ALA 124 -8.391 11.810 -3.444 955 HA ALA 124 HA ALA 124 -8.557 14.521 -2.533 956 1HB ALA 124 1HB ALA 124 -8.786 15.043 -4.817 957 2HB ALA 124 2HB ALA 124 -7.774 13.578 -4.830 958 3HB ALA 124 3HB ALA 124 -9.511 13.464 -5.203 959 H ASN 125 H ASN 125 -10.813 11.863 -3.426 960 HA ASN 125 HA ASN 125 -12.977 13.624 -2.585 961 1HB ASN 125 1HB ASN 125 -12.754 12.183 -4.939 962 2HB ASN 125 2HB ASN 125 -13.627 11.034 -3.944 963 1HD2 ASN 125 1HD2 ASN 125 -15.455 11.246 -5.228 964 2HD2 ASN 125 2HD2 ASN 125 -16.514 12.613 -5.144 965 H GLU 126 H GLU 126 -14.705 12.560 -1.231 966 HA GLU 126 HA GLU 126 -13.522 10.841 0.679 967 1HB GLU 126 1HB GLU 126 -15.178 12.665 1.211 968 2HB GLU 126 2HB GLU 126 -16.428 11.730 0.415 969 1HG GLU 126 1HG GLU 126 -15.818 9.799 2.028 970 2HG GLU 126 2HG GLU 126 -14.860 10.968 2.915 971 H GLU 127 H GLU 127 -16.276 10.538 -1.672 972 HA GLU 127 HA GLU 127 -16.978 7.984 -1.089 973 1HB GLU 127 1HB GLU 127 -18.194 9.512 -2.641 974 2HB GLU 127 2HB GLU 127 -16.929 9.309 -3.837 975 1HG GLU 127 1HG GLU 127 -17.390 6.831 -3.867 976 2HG GLU 127 2HG GLU 127 -18.695 7.077 -2.724 977 H GLU 128 H GLU 128 -14.488 9.125 -3.470 978 HA GLU 128 HA GLU 128 -13.793 6.673 -4.442 979 1HB GLU 128 1HB GLU 128 -12.631 9.371 -4.353 980 2HB GLU 128 2HB GLU 128 -11.391 8.134 -4.365 981 1HG GLU 128 1HG GLU 128 -13.501 7.442 -6.261 982 2HG GLU 128 2HG GLU 128 -12.924 9.066 -6.578 983 H ALA 129 H ALA 129 -13.101 8.154 -1.312 984 HA ALA 129 HA ALA 129 -10.919 6.406 -0.697 985 1HB ALA 129 1HB ALA 129 -11.574 8.817 0.196 986 2HB ALA 129 2HB ALA 129 -12.527 7.883 1.373 987 3HB ALA 129 3HB ALA 129 -10.767 7.641 1.260 988 H LYS 130 H LYS 130 -14.466 6.513 -0.199 989 HA LYS 130 HA LYS 130 -14.531 4.387 1.654 990 1HB LYS 130 1HB LYS 130 -16.746 5.318 -0.190 991 2HB LYS 130 2HB LYS 130 -16.917 4.438 1.315 992 1HG LYS 130 1HG LYS 130 -15.743 7.246 1.037 993 2HG LYS 130 2HG LYS 130 -17.358 6.878 1.609 994 1HD LYS 130 1HD LYS 130 -14.824 5.823 2.949 995 2HD LYS 130 2HD LYS 130 -15.632 7.298 3.443 996 1HE LYS 130 1HE LYS 130 -16.689 5.819 4.884 997 2HE LYS 130 2HE LYS 130 -17.786 5.691 3.525 998 1HZ LYS 130 1HZ LYS 130 -17.271 3.570 3.420 999 2HZ LYS 130 2HZ LYS 130 -15.713 3.924 3.082 1000 3HZ LYS 130 3HZ LYS 130 -16.183 3.709 4.630 1001 H LYS 131 H LYS 131 -14.974 4.592 -1.933 1002 HA LYS 131 HA LYS 131 -15.490 1.860 -2.264 1003 1HB LYS 131 1HB LYS 131 -15.043 2.305 -4.638 1004 2HB LYS 131 2HB LYS 131 -16.106 3.505 -3.932 1005 1HG LYS 131 1HG LYS 131 -14.608 4.888 -5.071 1006 2HG LYS 131 2HG LYS 131 -13.858 4.846 -3.488 1007 1HD LYS 131 1HD LYS 131 -11.975 4.167 -4.579 1008 2HD LYS 131 2HD LYS 131 -12.750 2.598 -4.678 1009 1HE LYS 131 1HE LYS 131 -13.315 4.709 -6.786 1010 2HE LYS 131 2HE LYS 131 -11.862 3.734 -6.886 1011 1HZ LYS 131 1HZ LYS 131 -13.127 2.194 -7.791 1012 2HZ LYS 131 2HZ LYS 131 -13.889 1.982 -6.363 1013 3HZ LYS 131 3HZ LYS 131 -14.509 3.006 -7.474 1014 H PHE 132 H PHE 132 -12.531 3.727 -1.761 1015 HA PHE 132 HA PHE 132 -10.743 1.844 -2.821 1016 1HB PHE 132 1HB PHE 132 -10.731 4.408 -1.685 1017 2HB PHE 132 2HB PHE 132 -9.974 3.469 -0.415 1018 HD1 PHE 132 1HD PHE 132 -7.776 2.525 -0.707 1019 HD2 PHE 132 2HD PHE 132 -9.651 4.624 -3.882 1020 HE1 PHE 132 1HE PHE 132 -5.583 2.642 -1.925 1021 HE2 PHE 132 2HE PHE 132 -7.460 4.741 -5.100 1022 HZ PHE 132 HZ PHE 132 -5.451 3.747 -4.107 1023 H ARG 133 H ARG 133 -11.726 2.538 0.615 1024 HA ARG 133 HA ARG 133 -10.274 0.431 1.653 1025 1HB ARG 133 1HB ARG 133 -11.566 2.514 2.759 1026 2HB ARG 133 2HB ARG 133 -12.846 1.335 2.968 1027 1HG ARG 133 1HG ARG 133 -10.805 -0.166 3.906 1028 2HG ARG 133 2HG ARG 133 -10.106 1.409 4.219 1029 1HD ARG 133 1HD ARG 133 -11.437 1.691 6.037 1030 2HD ARG 133 2HD ARG 133 -12.877 1.459 5.067 1031 HE ARG 133 HE ARG 133 -11.469 -1.036 5.723 1032 1HH1 ARG 133 2HH2 ARG 133 -13.935 1.262 6.731 1033 2HH1 ARG 133 1HH2 ARG 133 -14.762 0.125 7.744 1034 1HH2 ARG 133 2HH1 ARG 133 -12.559 -2.536 7.058 1035 2HH2 ARG 133 1HH1 ARG 133 -13.974 -2.050 7.931 1036 H LYS 134 H LYS 134 -13.571 0.682 0.290 1037 HA LYS 134 HA LYS 134 -14.551 -1.754 1.270 1038 1HB LYS 134 1HB LYS 134 -15.513 0.400 -0.226 1039 2HB LYS 134 2HB LYS 134 -15.627 -0.962 -1.322 1040 1HG LYS 134 1HG LYS 134 -16.510 -1.994 1.157 1041 2HG LYS 134 2HG LYS 134 -17.200 -0.385 1.092 1042 1HD LYS 134 1HD LYS 134 -18.747 -1.057 -0.422 1043 2HD LYS 134 2HD LYS 134 -17.493 -1.597 -1.519 1044 1HE LYS 134 1HE LYS 134 -17.406 -3.640 0.297 1045 2HE LYS 134 2HE LYS 134 -19.086 -3.176 0.470 1046 1HZ LYS 134 1HZ LYS 134 -17.733 -4.285 -1.826 1047 2HZ LYS 134 2HZ LYS 134 -19.249 -4.552 -1.281 1048 3HZ LYS 134 3HZ LYS 134 -18.914 -3.200 -2.134 1049 H ALA 135 H ALA 135 -12.754 -0.848 -1.724 1050 HA ALA 135 HA ALA 135 -12.912 -3.371 -2.921 1051 1HB ALA 135 1HB ALA 135 -11.423 -0.836 -3.251 1052 2HB ALA 135 2HB ALA 135 -10.565 -2.278 -3.846 1053 3HB ALA 135 3HB ALA 135 -12.184 -1.884 -4.472 1054 H VAL 136 H VAL 136 -10.318 -1.832 -0.895 1055 HA VAL 136 HA VAL 136 -8.566 -3.942 -0.886 1056 HB VAL 136 HB VAL 136 -9.236 -1.845 1.178 1057 1HG1 VAL 136 1HG1 VAL 136 -8.174 -3.283 2.604 1058 2HG1 VAL 136 2HG1 VAL 136 -7.280 -4.098 1.298 1059 3HG1 VAL 136 3HG1 VAL 136 -6.744 -2.506 1.884 1060 1HG2 VAL 136 1HG2 VAL 136 -8.249 -1.311 -1.166 1061 2HG2 VAL 136 2HG2 VAL 136 -7.491 -0.588 0.272 1062 3HG2 VAL 136 3HG2 VAL 136 -6.744 -2.000 -0.512 1063 H THR 137 H THR 137 -11.088 -3.214 1.638 1064 HA THR 137 HA THR 137 -10.769 -5.532 3.092 1065 HB THR 137 HB THR 137 -13.221 -5.011 3.725 1066 HG1 THR 137 1HG THR 137 -13.999 -4.016 1.847 1067 1HG2 THR 137 1HG2 THR 137 -12.727 -2.748 4.645 1068 2HG2 THR 137 2HG2 THR 137 -11.344 -3.836 4.907 1069 3HG2 THR 137 3HG2 THR 137 -11.294 -2.631 3.597 1070 H ASP 138 H ASP 138 -12.856 -4.965 0.201 1071 HA ASP 138 HA ASP 138 -14.129 -7.365 0.226 1072 1HB ASP 138 1HB ASP 138 -13.546 -5.242 -1.701 1073 2HB ASP 138 2HB ASP 138 -13.538 -6.801 -2.501 1074 H LEU 139 H LEU 139 -10.904 -6.411 -1.101 1075 HA LEU 139 HA LEU 139 -10.382 -8.923 -2.302 1076 1HB LEU 139 1HB LEU 139 -9.377 -6.819 -3.039 1077 2HB LEU 139 2HB LEU 139 -8.539 -6.664 -1.508 1078 HG LEU 139 HG LEU 139 -8.044 -9.183 -3.002 1079 1HD1 LEU 139 1HD1 LEU 139 -7.161 -6.483 -4.037 1080 2HD1 LEU 139 2HD1 LEU 139 -6.325 -8.003 -4.436 1081 3HD1 LEU 139 3HD1 LEU 139 -8.027 -7.774 -4.904 1082 1HD2 LEU 139 1HD2 LEU 139 -5.652 -7.907 -2.275 1083 2HD2 LEU 139 2HD2 LEU 139 -6.796 -7.574 -0.952 1084 3HD2 LEU 139 3HD2 LEU 139 -6.466 -9.253 -1.442 1085 H LEU 140 H LEU 140 -9.422 -7.353 0.816 1086 HA LEU 140 HA LEU 140 -7.852 -9.484 1.705 1087 1HB LEU 140 1HB LEU 140 -9.072 -7.048 2.830 1088 2HB LEU 140 2HB LEU 140 -8.764 -8.324 3.991 1089 HG LEU 140 HG LEU 140 -6.388 -8.238 2.597 1090 1HD1 LEU 140 1HD1 LEU 140 -5.710 -5.972 2.298 1091 2HD1 LEU 140 2HD1 LEU 140 -7.235 -6.197 1.408 1092 3HD1 LEU 140 3HD1 LEU 140 -7.236 -5.358 2.978 1093 1HD2 LEU 140 1HD2 LEU 140 -6.384 -6.415 4.870 1094 2HD2 LEU 140 2HD2 LEU 140 -7.278 -7.917 5.204 1095 3HD2 LEU 140 3HD2 LEU 140 -5.585 -7.991 4.658 1096 H GLY 141 H GLY 141 -11.349 -8.964 1.579 1097 1HA GLY 141 1HA GLY 141 -12.075 -10.897 3.523 1098 2HA GLY 141 2HA GLY 141 -13.091 -10.216 2.268 1099 H ARG 142 H ARG 142 -11.823 -10.963 -0.104 1100 HA ARG 142 HA ARG 142 -12.687 -13.567 -0.346 1101 1HB ARG 142 1HB ARG 142 -12.377 -11.773 -2.178 1102 2HB ARG 142 2HB ARG 142 -10.674 -12.186 -2.185 1103 1HG ARG 142 1HG ARG 142 -11.663 -14.689 -2.433 1104 2HG ARG 142 2HG ARG 142 -13.032 -13.822 -3.102 1105 1HD ARG 142 1HD ARG 142 -11.888 -13.211 -5.004 1106 2HD ARG 142 2HD ARG 142 -10.405 -12.879 -4.131 1107 HE ARG 142 HE ARG 142 -9.701 -15.093 -4.495 1108 1HH1 ARG 142 2HH2 ARG 142 -13.120 -14.793 -5.274 1109 2HH1 ARG 142 1HH2 ARG 142 -13.225 -16.364 -5.993 1110 1HH2 ARG 142 2HH1 ARG 142 -9.840 -17.167 -5.445 1111 2HH2 ARG 142 1HH1 ARG 142 -11.346 -17.724 -6.091 1112 H ARG 143 H ARG 143 -9.456 -12.133 0.266 1113 HA ARG 143 HA ARG 143 -8.518 -14.824 0.793 1114 1HB ARG 143 1HB ARG 143 -7.730 -13.707 -1.499 1115 2HB ARG 143 2HB ARG 143 -6.642 -12.799 -0.468 1116 1HG ARG 143 1HG ARG 143 -6.831 -15.836 -0.317 1117 2HG ARG 143 2HG ARG 143 -5.761 -15.034 -1.450 1118 1HD ARG 143 1HD ARG 143 -5.384 -13.803 1.138 1119 2HD ARG 143 2HD ARG 143 -5.327 -15.541 1.358 1120 HE ARG 143 HE ARG 143 -3.768 -14.694 -0.950 1121 1HH1 ARG 143 2HH2 ARG 143 -3.702 -15.009 2.553 1122 2HH1 ARG 143 1HH2 ARG 143 -1.975 -15.119 2.639 1123 1HH2 ARG 143 2HH1 ARG 143 -1.490 -14.838 -0.838 1124 2HH2 ARG 143 1HH1 ARG 143 -0.709 -15.021 0.697 1125 H GLN 144 H GLN 144 -7.696 -14.919 2.865 1126 HA GLN 144 HA GLN 144 -6.572 -12.443 3.917 1127 1HB GLN 144 1HB GLN 144 -8.895 -12.962 4.822 1128 2HB GLN 144 2HB GLN 144 -8.237 -14.424 5.530 1129 1HG GLN 144 1HG GLN 144 -6.413 -12.534 6.409 1130 2HG GLN 144 2HG GLN 144 -7.888 -11.589 6.371 1131 1HE2 GLN 144 1HE2 GLN 144 -6.729 -11.989 8.734 1132 2HE2 GLN 144 2HE2 GLN 144 -7.615 -13.099 9.726 Start of MODEL 12 1 1H ASP 1 H ASP 1 -10.262 16.630 8.617 2 HA ASP 1 HA ASP 1 -8.386 18.704 8.873 3 1HB ASP 1 1HB ASP 1 -9.958 17.815 11.288 4 2HB ASP 1 2HB ASP 1 -8.243 18.106 11.504 5 H LEU 2 H LEU 2 -6.265 17.762 9.289 6 HA LEU 2 HA LEU 2 -6.056 15.024 8.698 7 1HB LEU 2 1HB LEU 2 -4.066 17.074 9.666 8 2HB LEU 2 2HB LEU 2 -3.628 15.429 9.253 9 HG LEU 2 HG LEU 2 -3.165 17.048 7.447 10 1HD1 LEU 2 1HD1 LEU 2 -3.873 15.681 5.666 11 2HD1 LEU 2 2HD1 LEU 2 -3.726 14.593 7.067 12 3HD1 LEU 2 3HD1 LEU 2 -5.331 15.151 6.538 13 1HD2 LEU 2 1HD2 LEU 2 -6.169 17.346 7.199 14 2HD2 LEU 2 2HD2 LEU 2 -5.084 18.559 7.921 15 3HD2 LEU 2 3HD2 LEU 2 -4.916 18.125 6.203 16 HA PRO 3 HA PRO 3 -6.445 13.360 12.672 17 1HB PRO 3 1HB PRO 3 -5.543 10.825 12.188 18 2HB PRO 3 2HB PRO 3 -7.175 11.347 11.824 19 1HG PRO 3 1HG PRO 3 -4.921 10.879 9.969 20 2HG PRO 3 2HG PRO 3 -6.634 10.980 9.613 21 1HD PRO 3 1HD PRO 3 -4.659 13.005 9.136 22 2HD PRO 3 2HD PRO 3 -6.387 13.148 8.887 23 HA PRO 4 HA PRO 4 -2.745 13.527 14.738 24 1HB PRO 4 1HB PRO 4 -3.136 11.954 16.938 25 2HB PRO 4 2HB PRO 4 -3.743 13.593 16.811 26 1HG PRO 4 1HG PRO 4 -5.227 11.045 16.597 27 2HG PRO 4 2HG PRO 4 -5.849 12.656 16.897 28 1HD PRO 4 1HD PRO 4 -5.959 11.207 14.424 29 2HD PRO 4 2HD PRO 4 -6.476 12.860 14.693 30 HA PRO 5 HA PRO 5 -0.327 10.293 13.382 31 1HB PRO 5 1HB PRO 5 2.135 11.245 14.088 32 2HB PRO 5 2HB PRO 5 1.316 11.710 12.611 33 1HG PRO 5 1HG PRO 5 1.672 13.264 15.100 34 2HG PRO 5 2HG PRO 5 1.246 13.838 13.500 35 1HD PRO 5 1HD PRO 5 -0.527 13.498 15.728 36 2HD PRO 5 2HD PRO 5 -0.970 13.959 14.096 37 H GLU 6 H GLU 6 0.206 8.300 14.086 38 HA GLU 6 HA GLU 6 0.269 8.132 16.970 39 1HB GLU 6 1HB GLU 6 -0.661 6.435 14.789 40 2HB GLU 6 2HB GLU 6 0.413 5.532 15.837 41 1HG GLU 6 1HG GLU 6 -0.957 6.456 17.823 42 2HG GLU 6 2HG GLU 6 -2.116 7.034 16.642 43 HA PRO 7 HA PRO 7 4.511 7.230 17.080 44 1HB PRO 7 1HB PRO 7 4.724 5.689 19.328 45 2HB PRO 7 2HB PRO 7 4.586 7.435 19.373 46 1HG PRO 7 1HG PRO 7 2.538 5.399 20.001 47 2HG PRO 7 2HG PRO 7 2.568 7.095 20.437 48 1HD PRO 7 1HD PRO 7 0.997 5.882 18.366 49 2HD PRO 7 2HD PRO 7 1.115 7.593 18.725 50 H TYR 8 H TYR 8 5.689 6.109 15.676 51 HA TYR 8 HA TYR 8 4.839 3.337 15.302 52 1HB TYR 8 1HB TYR 8 5.052 5.058 13.401 53 2HB TYR 8 2HB TYR 8 6.751 5.228 13.793 54 HD1 TYR 8 1HD TYR 8 8.135 4.218 12.240 55 HD2 TYR 8 2HD TYR 8 4.439 2.311 13.244 56 HE1 TYR 8 1HE TYR 8 8.684 2.305 10.658 57 HE2 TYR 8 2HE TYR 8 5.001 0.404 11.658 58 HH TYR 8 HH TYR 8 6.580 -0.527 10.455 59 H VAL 9 H VAL 9 6.132 1.600 15.796 60 HA VAL 9 HA VAL 9 8.825 2.259 16.771 61 HB VAL 9 HB VAL 9 7.205 1.657 18.544 62 1HG1 VAL 9 1HG1 VAL 9 5.725 0.022 18.223 63 2HG1 VAL 9 2HG1 VAL 9 6.509 -0.422 16.687 64 3HG1 VAL 9 3HG1 VAL 9 7.057 -1.159 18.211 65 1HG2 VAL 9 1HG2 VAL 9 9.675 1.186 18.689 66 2HG2 VAL 9 2HG2 VAL 9 8.655 0.142 19.707 67 3HG2 VAL 9 3HG2 VAL 9 9.323 -0.484 18.181 68 H GLN 10 H GLN 10 10.532 0.976 16.049 69 HA GLN 10 HA GLN 10 10.201 -0.231 13.598 70 1HB GLN 10 1HB GLN 10 12.356 0.220 15.519 71 2HB GLN 10 2HB GLN 10 12.534 -1.347 14.756 72 1HG GLN 10 1HG GLN 10 13.690 0.225 13.345 73 2HG GLN 10 2HG GLN 10 12.217 -0.201 12.498 74 1HE2 GLN 10 1HE2 GLN 10 10.586 1.266 12.234 75 2HE2 GLN 10 2HE2 GLN 10 10.737 2.958 12.574 76 H THR 11 H THR 11 10.047 -2.410 12.901 77 HA THR 11 HA THR 11 10.169 -4.574 14.739 78 HB THR 11 HB THR 11 7.966 -3.531 15.390 79 HG1 THR 11 1HG THR 11 6.870 -5.621 15.038 80 1HG2 THR 11 1HG2 THR 11 6.703 -4.543 12.878 81 2HG2 THR 11 2HG2 THR 11 6.264 -3.134 13.874 82 3HG2 THR 11 3HG2 THR 11 7.597 -3.014 12.701 83 H THR 12 H THR 12 11.132 -6.095 13.563 84 HA THR 12 HA THR 12 11.486 -6.042 10.864 85 HB THR 12 HB THR 12 12.628 -7.503 12.609 86 HG1 THR 12 1HG THR 12 13.138 -8.523 10.716 87 1HG2 THR 12 1HG2 THR 12 11.646 -9.554 13.313 88 2HG2 THR 12 2HG2 THR 12 10.297 -8.404 13.474 89 3HG2 THR 12 3HG2 THR 12 10.384 -9.481 12.059 90 H LYS 13 H LYS 13 10.541 -6.952 9.020 91 HA LYS 13 HA LYS 13 7.816 -7.951 9.419 92 1HB LYS 13 1HB LYS 13 8.713 -5.640 7.712 93 2HB LYS 13 2HB LYS 13 7.335 -6.607 7.225 94 1HG LYS 13 1HG LYS 13 7.495 -5.575 10.069 95 2HG LYS 13 2HG LYS 13 6.987 -4.492 8.789 96 1HD LYS 13 1HD LYS 13 5.139 -5.987 8.172 97 2HD LYS 13 2HD LYS 13 5.704 -7.218 9.283 98 1HE LYS 13 1HE LYS 13 4.484 -6.278 10.946 99 2HE LYS 13 2HE LYS 13 5.430 -4.810 10.814 100 1HZ LYS 13 1HZ LYS 13 3.776 -4.647 8.713 101 2HZ LYS 13 2HZ LYS 13 2.818 -5.354 9.830 102 3HZ LYS 13 3HZ LYS 13 3.529 -3.920 10.154 103 H SER 14 H SER 14 7.012 -9.146 7.434 104 HA SER 14 HA SER 14 9.247 -10.212 5.915 105 1HB SER 14 1HB SER 14 8.039 -11.623 7.992 106 2HB SER 14 2HB SER 14 7.172 -12.214 6.588 107 HG SER 14 HG SER 14 9.884 -12.550 7.313 108 H TYR 15 H TYR 15 8.788 -10.376 3.725 109 HA TYR 15 HA TYR 15 6.015 -9.801 2.961 110 1HB TYR 15 1HB TYR 15 8.799 -9.587 1.669 111 2HB TYR 15 2HB TYR 15 7.340 -9.331 0.734 112 HD1 TYR 15 1HD TYR 15 5.677 -7.808 2.705 113 HD2 TYR 15 2HD TYR 15 9.821 -7.472 1.694 114 HE1 TYR 15 1HE TYR 15 5.659 -5.365 3.410 115 HE2 TYR 15 2HE TYR 15 9.789 -5.031 2.403 116 HH TYR 15 HH TYR 15 8.404 -3.293 2.803 117 HA PRO 16 HA PRO 16 5.676 -13.773 1.267 118 1HB PRO 16 1HB PRO 16 3.537 -13.411 -0.395 119 2HB PRO 16 2HB PRO 16 3.377 -13.675 1.330 120 1HG PRO 16 1HG PRO 16 3.065 -11.163 -0.197 121 2HG PRO 16 2HG PRO 16 2.506 -11.542 1.420 122 1HD PRO 16 1HD PRO 16 4.780 -9.938 0.722 123 2HD PRO 16 2HD PRO 16 4.288 -10.412 2.335 124 H SER 17 H SER 17 5.907 -11.050 -0.883 125 HA SER 17 HA SER 17 6.356 -12.530 -3.178 126 1HB SER 17 1HB SER 17 7.223 -10.446 -4.122 127 2HB SER 17 2HB SER 17 5.820 -10.098 -3.131 128 HG SER 17 HG SER 17 7.209 -8.613 -2.348 129 H LYS 18 H LYS 18 8.537 -11.330 -0.579 130 HA LYS 18 HA LYS 18 10.693 -12.886 -1.831 131 1HB LYS 18 1HB LYS 18 10.640 -10.143 -0.715 132 2HB LYS 18 2HB LYS 18 12.008 -11.123 -0.225 133 1HG LYS 18 1HG LYS 18 12.597 -11.588 -2.561 134 2HG LYS 18 2HG LYS 18 11.130 -10.817 -3.133 135 1HD LYS 18 1HD LYS 18 12.606 -8.985 -1.402 136 2HD LYS 18 2HD LYS 18 13.657 -9.589 -2.666 137 1HE LYS 18 1HE LYS 18 11.607 -9.052 -4.264 138 2HE LYS 18 2HE LYS 18 11.071 -8.030 -2.945 139 1HZ LYS 18 1HZ LYS 18 13.646 -7.856 -4.347 140 2HZ LYS 18 2HZ LYS 18 12.426 -6.771 -4.396 141 3HZ LYS 18 3HZ LYS 18 13.278 -6.982 -3.018 142 H LEU 19 H LEU 19 9.067 -14.445 -0.462 143 HA LEU 19 HA LEU 19 10.050 -14.489 2.295 144 1HB LEU 19 1HB LEU 19 7.506 -14.725 1.250 145 2HB LEU 19 2HB LEU 19 7.959 -16.391 1.546 146 HG LEU 19 HG LEU 19 8.094 -14.192 3.627 147 1HD1 LEU 19 1HD1 LEU 19 5.872 -15.961 2.756 148 2HD1 LEU 19 2HD1 LEU 19 6.103 -15.757 4.509 149 3HD1 LEU 19 3HD1 LEU 19 5.840 -14.333 3.475 150 1HD2 LEU 19 1HD2 LEU 19 9.658 -15.980 4.088 151 2HD2 LEU 19 2HD2 LEU 19 8.293 -16.064 5.226 152 3HD2 LEU 19 3HD2 LEU 19 8.383 -17.200 3.858 153 H ALA 20 H ALA 20 11.309 -15.387 -0.470 154 HA ALA 20 HA ALA 20 12.800 -16.931 -1.031 155 1HB ALA 20 1HB ALA 20 13.892 -18.177 0.616 156 2HB ALA 20 2HB ALA 20 13.198 -16.842 1.567 157 3HB ALA 20 3HB ALA 20 12.401 -18.434 1.555 158 H ARG 21 H ARG 21 9.661 -17.187 -1.033 159 HA ARG 21 HA ARG 21 8.280 -18.515 -2.050 160 1HB ARG 21 1HB ARG 21 10.502 -20.585 -2.407 161 2HB ARG 21 2HB ARG 21 9.017 -20.473 -3.331 162 1HG ARG 21 1HG ARG 21 9.873 -18.882 -4.722 163 2HG ARG 21 2HG ARG 21 10.510 -17.939 -3.390 164 1HD ARG 21 1HD ARG 21 12.412 -18.670 -4.698 165 2HD ARG 21 2HD ARG 21 12.433 -19.605 -3.216 166 HE ARG 21 HE ARG 21 12.074 -21.537 -4.476 167 1HH1 ARG 21 2HH2 ARG 21 11.060 -18.750 -6.369 168 2HH1 ARG 21 1HH2 ARG 21 10.739 -19.676 -7.797 169 1HH2 ARG 21 2HH1 ARG 21 11.651 -22.759 -6.360 170 2HH2 ARG 21 1HH1 ARG 21 11.079 -21.972 -7.792 171 H ASN 22 H ASN 22 10.596 -20.803 -0.398 172 HA ASN 22 HA ASN 22 8.945 -21.227 1.777 173 1HB ASN 22 1HB ASN 22 7.981 -22.586 -0.499 174 2HB ASN 22 2HB ASN 22 8.899 -23.819 0.341 175 1HD2 ASN 22 1HD2 ASN 22 8.359 -24.409 2.454 176 2HD2 ASN 22 2HD2 ASN 22 6.792 -24.112 3.132 177 H GLU 23 H GLU 23 10.354 -22.087 3.336 178 HA GLU 23 HA GLU 23 12.029 -23.139 4.242 179 1HB GLU 23 1HB GLU 23 11.285 -25.085 2.770 180 2HB GLU 23 2HB GLU 23 12.507 -24.601 1.611 181 1HG GLU 23 1HG GLU 23 14.262 -25.322 2.938 182 2HG GLU 23 2HG GLU 23 13.463 -24.877 4.432 183 H SER 24 H SER 24 12.976 -22.616 0.762 184 HA SER 24 HA SER 24 15.561 -22.155 1.020 185 1HB SER 24 1HB SER 24 13.741 -21.758 -0.967 186 2HB SER 24 2HB SER 24 14.120 -20.087 -0.601 187 HG SER 24 HG SER 24 15.666 -22.021 -1.880 188 H ARG 25 H ARG 25 16.937 -20.189 1.258 189 HA ARG 25 HA ARG 25 15.655 -17.956 2.516 190 1HB ARG 25 1HB ARG 25 16.339 -19.749 4.310 191 2HB ARG 25 2HB ARG 25 17.990 -19.276 3.962 192 1HG ARG 25 1HG ARG 25 16.852 -16.800 4.290 193 2HG ARG 25 2HG ARG 25 15.829 -17.745 5.354 194 1HD ARG 25 1HD ARG 25 17.928 -18.666 6.459 195 2HD ARG 25 2HD ARG 25 18.878 -17.574 5.471 196 HE ARG 25 HE ARG 25 17.315 -16.862 7.816 197 1HH1 ARG 25 2HH2 ARG 25 18.506 -15.630 4.743 198 2HH1 ARG 25 1HH2 ARG 25 18.471 -13.974 5.247 199 1HH2 ARG 25 2HH1 ARG 25 17.268 -14.677 8.483 200 2HH2 ARG 25 1HH1 ARG 25 17.762 -13.428 7.389 201 H GLY 26 H GLY 26 16.415 -16.823 0.608 202 1HA GLY 26 1HA GLY 26 18.524 -15.279 0.629 203 2HA GLY 26 2HA GLY 26 19.311 -16.773 0.159 204 H SER 27 H SER 27 19.870 -15.722 -1.898 205 HA SER 27 HA SER 27 17.568 -15.715 -3.689 206 1HB SER 27 1HB SER 27 19.882 -13.780 -3.473 207 2HB SER 27 2HB SER 27 19.123 -14.032 -5.032 208 HG SER 27 HG SER 27 17.145 -13.703 -3.197 209 H GLY 28 H GLY 28 18.244 -16.147 -6.053 210 1HA GLY 28 1HA GLY 28 20.722 -17.716 -6.253 211 2HA GLY 28 2HA GLY 28 19.194 -18.489 -6.625 212 H SER 29 H SER 29 17.761 -17.388 -8.306 213 HA SER 29 HA SER 29 18.953 -17.204 -10.664 214 1HB SER 29 1HB SER 29 16.496 -17.217 -10.303 215 2HB SER 29 2HB SER 29 16.554 -15.554 -9.752 216 HG SER 29 HG SER 29 16.898 -14.823 -11.796 217 H GLY 30 H GLY 30 20.456 -15.871 -11.605 218 1HA GLY 30 1HA GLY 30 20.829 -13.196 -10.412 219 2HA GLY 30 2HA GLY 30 22.067 -14.151 -11.203 220 H SER 31 H SER 31 22.049 -14.395 -13.546 221 HA SER 31 HA SER 31 21.864 -13.635 -15.570 222 1HB SER 31 1HB SER 31 18.991 -13.108 -14.703 223 2HB SER 31 2HB SER 31 19.534 -12.920 -16.359 224 HG SER 31 HG SER 31 20.337 -15.238 -16.117 225 H LEU 32 H LEU 32 21.452 -11.588 -16.985 226 HA LEU 32 HA LEU 32 22.397 -9.340 -15.479 227 1HB LEU 32 1HB LEU 32 22.051 -10.059 -18.348 228 2HB LEU 32 2HB LEU 32 22.104 -8.357 -17.936 229 HG LEU 32 HG LEU 32 24.290 -9.470 -18.620 230 1HD1 LEU 32 1HD1 LEU 32 23.955 -7.828 -16.116 231 2HD1 LEU 32 2HD1 LEU 32 25.567 -8.288 -16.718 232 3HD1 LEU 32 3HD1 LEU 32 24.477 -7.320 -17.740 233 1HD2 LEU 32 1HD2 LEU 32 23.889 -10.768 -15.926 234 2HD2 LEU 32 2HD2 LEU 32 24.285 -11.525 -17.488 235 3HD2 LEU 32 3HD2 LEU 32 25.503 -10.541 -16.641 236 H PHE 33 H PHE 33 19.632 -9.753 -17.809 237 HA PHE 33 HA PHE 33 17.739 -8.743 -16.017 238 1HB PHE 33 1HB PHE 33 19.386 -6.859 -17.646 239 2HB PHE 33 2HB PHE 33 17.667 -6.639 -17.911 240 HD1 PHE 33 1HD PHE 33 16.261 -6.642 -15.601 241 HD2 PHE 33 2HD PHE 33 20.346 -5.569 -16.004 242 HE1 PHE 33 1HE PHE 33 16.109 -5.279 -13.498 243 HE2 PHE 33 2HE PHE 33 20.195 -4.206 -13.901 244 HZ PHE 33 HZ PHE 33 18.079 -4.078 -12.673 245 H SER 34 H SER 34 16.394 -10.377 -16.805 246 HA SER 34 HA SER 34 15.046 -9.764 -19.190 247 1HB SER 34 1HB SER 34 15.580 -11.787 -20.483 248 2HB SER 34 2HB SER 34 17.032 -10.846 -20.205 249 HG SER 34 HG SER 34 17.316 -12.330 -18.243 250 H PHE 35 H PHE 35 13.661 -9.774 -17.087 251 HA PHE 35 HA PHE 35 12.086 -12.115 -17.118 252 1HB PHE 35 1HB PHE 35 14.280 -12.500 -15.607 253 2HB PHE 35 2HB PHE 35 13.444 -11.476 -14.456 254 HD1 PHE 35 1HD PHE 35 13.348 -14.706 -16.212 255 HD2 PHE 35 2HD PHE 35 11.555 -12.289 -13.219 256 HE1 PHE 35 1HE PHE 35 12.080 -16.698 -15.363 257 HE2 PHE 35 2HE PHE 35 10.288 -14.281 -12.369 258 HZ PHE 35 HZ PHE 35 10.564 -16.463 -13.451 259 H LEU 36 H LEU 36 10.369 -10.665 -17.488 260 HA LEU 36 HA LEU 36 9.561 -9.204 -15.101 261 1HB LEU 36 1HB LEU 36 10.643 -7.953 -17.406 262 2HB LEU 36 2HB LEU 36 8.921 -7.626 -17.403 263 HG LEU 36 HG LEU 36 10.549 -7.181 -14.910 264 1HD1 LEU 36 1HD1 LEU 36 10.753 -5.690 -17.437 265 2HD1 LEU 36 2HD1 LEU 36 10.409 -4.683 -16.011 266 3HD1 LEU 36 3HD1 LEU 36 11.843 -5.737 -16.030 267 1HD2 LEU 36 1HD2 LEU 36 8.044 -7.134 -14.868 268 2HD2 LEU 36 2HD2 LEU 36 8.827 -5.627 -14.335 269 3HD2 LEU 36 3HD2 LEU 36 8.109 -5.729 -15.960 270 H GLY 37 H GLY 37 7.360 -9.300 -14.726 271 1HA GLY 37 1HA GLY 37 5.819 -10.833 -16.728 272 2HA GLY 37 2HA GLY 37 5.564 -10.873 -14.995 273 H LYS 38 H LYS 38 3.644 -10.181 -17.181 274 HA LYS 38 HA LYS 38 2.811 -7.628 -16.061 275 1HB LYS 38 1HB LYS 38 4.098 -7.112 -18.124 276 2HB LYS 38 2HB LYS 38 3.000 -8.118 -19.048 277 1HG LYS 38 1HG LYS 38 1.265 -6.590 -18.929 278 2HG LYS 38 2HG LYS 38 1.692 -6.064 -17.312 279 1HD LYS 38 1HD LYS 38 3.337 -4.550 -18.086 280 2HD LYS 38 2HD LYS 38 3.550 -5.395 -19.607 281 1HE LYS 38 1HE LYS 38 2.326 -3.333 -20.051 282 2HE LYS 38 2HE LYS 38 1.231 -4.678 -20.299 283 1HZ LYS 38 1HZ LYS 38 0.557 -4.300 -17.925 284 2HZ LYS 38 2HZ LYS 38 1.352 -2.875 -17.996 285 3HZ LYS 38 3HZ LYS 38 0.091 -3.157 -18.994 286 H LYS 39 H LYS 39 1.490 -9.334 -14.907 287 HA LYS 39 HA LYS 39 -0.995 -9.612 -16.335 288 1HB LYS 39 1HB LYS 39 0.693 -11.707 -16.637 289 2HB LYS 39 2HB LYS 39 -0.085 -12.174 -15.138 290 1HG LYS 39 1HG LYS 39 -1.856 -11.164 -17.355 291 2HG LYS 39 2HG LYS 39 -1.148 -12.754 -17.555 292 1HD LYS 39 1HD LYS 39 -2.038 -12.836 -14.913 293 2HD LYS 39 2HD LYS 39 -3.268 -11.857 -15.686 294 1HE LYS 39 1HE LYS 39 -4.203 -13.763 -16.490 295 2HE LYS 39 2HE LYS 39 -2.794 -13.974 -17.511 296 1HZ LYS 39 1HZ LYS 39 -1.871 -14.873 -15.214 297 2HZ LYS 39 2HZ LYS 39 -3.445 -15.263 -15.028 298 3HZ LYS 39 3HZ LYS 39 -2.608 -15.831 -16.310 299 H CYS 40 H CYS 40 -0.678 -7.831 -14.407 300 HA CYS 40 HA CYS 40 -1.569 -9.191 -11.969 301 1HB CYS 40 1HB CYS 40 -0.869 -7.049 -10.811 302 2HB CYS 40 2HB CYS 40 0.431 -8.039 -11.443 303 HG CYS 40 HG CYS 40 0.916 -6.738 -13.571 304 H VAL 41 H VAL 41 -3.553 -8.496 -11.042 305 HA VAL 41 HA VAL 41 -5.276 -7.080 -12.863 306 HB VAL 41 HB VAL 41 -6.984 -7.615 -11.119 307 1HG1 VAL 41 1HG1 VAL 41 -5.767 -10.250 -11.594 308 2HG1 VAL 41 2HG1 VAL 41 -7.332 -9.594 -12.129 309 3HG1 VAL 41 3HG1 VAL 41 -5.850 -9.221 -13.044 310 1HG2 VAL 41 1HG2 VAL 41 -4.686 -8.054 -9.509 311 2HG2 VAL 41 2HG2 VAL 41 -6.399 -8.234 -9.060 312 3HG2 VAL 41 3HG2 VAL 41 -5.498 -9.626 -9.705 313 H THR 42 H THR 42 -6.545 -5.179 -12.239 314 HA THR 42 HA THR 42 -5.177 -3.572 -10.182 315 HB THR 42 HB THR 42 -6.244 -2.734 -12.930 316 HG1 THR 42 1HG THR 42 -3.633 -2.940 -11.603 317 1HG2 THR 42 1HG2 THR 42 -5.242 -0.544 -12.420 318 2HG2 THR 42 2HG2 THR 42 -6.433 -0.924 -11.153 319 3HG2 THR 42 3HG2 THR 42 -4.695 -1.129 -10.830 320 H MET 43 H MET 43 -6.423 -2.916 -8.549 321 HA MET 43 HA MET 43 -9.148 -3.585 -8.569 322 1HB MET 43 1HB MET 43 -7.125 -2.434 -6.723 323 2HB MET 43 2HB MET 43 -8.721 -1.761 -6.456 324 1HG MET 43 1HG MET 43 -9.633 -3.804 -5.785 325 2HG MET 43 2HG MET 43 -8.553 -4.747 -6.792 326 1HE MET 43 1HE MET 43 -5.546 -5.459 -4.933 327 2HE MET 43 2HE MET 43 -6.344 -5.203 -6.504 328 3HE MET 43 3HE MET 43 -5.397 -3.890 -5.762 329 H SER 44 H SER 44 -7.701 -0.312 -7.917 330 HA SER 44 HA SER 44 -9.201 0.897 -9.957 331 1HB SER 44 1HB SER 44 -10.953 0.393 -8.114 332 2HB SER 44 2HB SER 44 -10.136 1.609 -7.153 333 HG SER 44 HG SER 44 -11.489 1.949 -9.679 334 H SER 45 H SER 45 -8.588 3.153 -10.212 335 HA SER 45 HA SER 45 -6.236 3.772 -8.636 336 1HB SER 45 1HB SER 45 -5.771 5.436 -10.461 337 2HB SER 45 2HB SER 45 -5.864 3.782 -11.033 338 HG SER 45 HG SER 45 -7.617 4.243 -12.201 339 H ALA 46 H ALA 46 -6.249 5.435 -7.146 340 HA ALA 46 HA ALA 46 -8.327 7.472 -7.410 341 1HB ALA 46 1HB ALA 46 -7.805 6.449 -4.660 342 2HB ALA 46 2HB ALA 46 -9.319 7.022 -5.400 343 3HB ALA 46 3HB ALA 46 -8.733 5.376 -5.735 344 H VAL 47 H VAL 47 -7.367 9.437 -7.351 345 HA VAL 47 HA VAL 47 -4.632 9.696 -6.777 346 HB VAL 47 HB VAL 47 -6.885 11.676 -7.120 347 1HG1 VAL 47 1HG1 VAL 47 -5.479 13.108 -6.053 348 2HG1 VAL 47 2HG1 VAL 47 -4.041 12.102 -6.361 349 3HG1 VAL 47 3HG1 VAL 47 -4.685 13.152 -7.647 350 1HG2 VAL 47 1HG2 VAL 47 -6.413 10.413 -9.124 351 2HG2 VAL 47 2HG2 VAL 47 -5.774 12.062 -9.323 352 3HG2 VAL 47 3HG2 VAL 47 -4.667 10.716 -8.957 353 H VAL 48 H VAL 48 -3.601 9.776 -4.853 354 HA VAL 48 HA VAL 48 -5.089 10.888 -2.590 355 HB VAL 48 HB VAL 48 -4.869 9.067 -1.300 356 1HG1 VAL 48 1HG1 VAL 48 -5.433 7.105 -2.430 357 2HG1 VAL 48 2HG1 VAL 48 -5.879 8.375 -3.594 358 3HG1 VAL 48 3HG1 VAL 48 -4.363 7.467 -3.805 359 1HG2 VAL 48 1HG2 VAL 48 -2.319 8.318 -2.773 360 2HG2 VAL 48 2HG2 VAL 48 -2.424 9.177 -1.216 361 3HG2 VAL 48 3HG2 VAL 48 -2.978 7.489 -1.342 362 H GLN 49 H GLN 49 -3.542 11.478 -0.753 363 HA GLN 49 HA GLN 49 -1.059 12.396 -1.977 364 1HB GLN 49 1HB GLN 49 -2.815 13.643 0.171 365 2HB GLN 49 2HB GLN 49 -1.172 14.180 -0.110 366 1HG GLN 49 1HG GLN 49 -1.721 14.689 -2.483 367 2HG GLN 49 2HG GLN 49 -3.354 14.100 -2.246 368 1HE2 GLN 49 1HE2 GLN 49 -4.874 15.384 -1.428 369 2HE2 GLN 49 2HE2 GLN 49 -4.639 17.004 -0.860 370 H LEU 50 H LEU 50 0.787 11.469 -1.204 371 HA LEU 50 HA LEU 50 0.604 9.779 1.110 372 1HB LEU 50 1HB LEU 50 1.883 9.426 -1.128 373 2HB LEU 50 2HB LEU 50 3.122 10.419 -0.389 374 HG LEU 50 HG LEU 50 3.474 7.952 -0.182 375 1HD1 LEU 50 1HD1 LEU 50 4.674 9.404 1.290 376 2HD1 LEU 50 2HD1 LEU 50 3.259 9.590 2.354 377 3HD1 LEU 50 3HD1 LEU 50 4.088 8.019 2.243 378 1HD2 LEU 50 1HD2 LEU 50 1.606 7.677 2.070 379 2HD2 LEU 50 2HD2 LEU 50 0.822 7.834 0.480 380 3HD2 LEU 50 3HD2 LEU 50 2.014 6.542 0.762 381 H TYR 51 H TYR 51 1.040 10.345 3.173 382 HA TYR 51 HA TYR 51 2.640 12.784 3.561 383 1HB TYR 51 1HB TYR 51 0.062 11.683 4.802 384 2HB TYR 51 2HB TYR 51 1.043 12.815 5.710 385 HD1 TYR 51 1HD TYR 51 -1.487 12.446 3.192 386 HD2 TYR 51 2HD TYR 51 1.518 15.116 4.658 387 HE1 TYR 51 1HE TYR 51 -2.629 14.389 2.015 388 HE2 TYR 51 2HE TYR 51 0.366 17.050 3.477 389 HH TYR 51 HH TYR 51 -2.722 16.927 2.410 390 H ALA 52 H ALA 52 3.883 12.865 5.564 391 HA ALA 52 HA ALA 52 4.294 10.198 6.733 392 1HB ALA 52 1HB ALA 52 6.412 12.283 6.064 393 2HB ALA 52 2HB ALA 52 6.696 10.691 6.808 394 3HB ALA 52 3HB ALA 52 6.102 10.799 5.133 395 H ALA 53 H ALA 53 4.066 10.146 8.919 396 HA ALA 53 HA ALA 53 3.371 12.542 10.277 397 1HB ALA 53 1HB ALA 53 3.861 9.672 11.151 398 2HB ALA 53 2HB ALA 53 3.317 10.957 12.258 399 3HB ALA 53 3HB ALA 53 2.296 10.477 10.880 400 H ASP 54 H ASP 54 5.192 13.953 10.061 401 HA ASP 54 HA ASP 54 7.771 13.193 10.643 402 1HB ASP 54 1HB ASP 54 6.434 15.529 9.860 403 2HB ASP 54 2HB ASP 54 7.089 15.964 11.426 404 H ARG 55 H ARG 55 9.006 14.447 12.611 405 HA ARG 55 HA ARG 55 8.289 13.222 14.908 406 1HB ARG 55 1HB ARG 55 9.925 15.718 14.334 407 2HB ARG 55 2HB ARG 55 9.686 15.203 15.992 408 1HG ARG 55 1HG ARG 55 10.757 13.073 15.594 409 2HG ARG 55 2HG ARG 55 10.699 13.282 13.856 410 1HD ARG 55 1HD ARG 55 12.798 14.148 13.979 411 2HD ARG 55 2HD ARG 55 12.098 15.559 14.747 412 HE ARG 55 HE ARG 55 12.524 13.397 16.651 413 1HH1 ARG 55 2HH2 ARG 55 14.120 16.036 14.957 414 2HH1 ARG 55 1HH2 ARG 55 15.364 16.220 16.150 415 1HH2 ARG 55 2HH1 ARG 55 14.163 13.638 18.224 416 2HH2 ARG 55 1HH1 ARG 55 15.388 14.846 18.021 417 H ASN 56 H ASN 56 7.643 14.324 17.072 418 HA ASN 56 HA ASN 56 6.231 15.427 18.294 419 1HB ASN 56 1HB ASN 56 6.887 17.375 16.182 420 2HB ASN 56 2HB ASN 56 5.260 17.626 16.781 421 1HD2 ASN 56 1HD2 ASN 56 6.597 19.653 17.341 422 2HD2 ASN 56 2HD2 ASN 56 7.243 19.727 18.946 423 H CYS 57 H CYS 57 4.871 16.501 15.102 424 HA CYS 57 HA CYS 57 3.097 14.550 14.584 425 1HB CYS 57 1HB CYS 57 0.935 15.562 15.579 426 2HB CYS 57 2HB CYS 57 1.943 14.563 16.607 427 HG CYS 57 HG CYS 57 3.017 17.555 16.521 428 H MET 58 H MET 58 3.946 15.584 12.594 429 HA MET 58 HA MET 58 2.147 17.634 11.720 430 1HB MET 58 1HB MET 58 5.113 18.050 12.179 431 2HB MET 58 2HB MET 58 4.406 18.804 10.763 432 1HG MET 58 1HG MET 58 3.398 19.168 13.628 433 2HG MET 58 2HG MET 58 4.384 20.325 12.757 434 1HE MET 58 1HE MET 58 3.812 21.546 10.778 435 2HE MET 58 2HE MET 58 3.096 20.325 9.700 436 3HE MET 58 3HE MET 58 2.189 21.805 10.095 437 H TRP 59 H TRP 59 1.396 15.971 10.281 438 HA TRP 59 HA TRP 59 2.782 14.252 8.772 439 1HB TRP 59 1HB TRP 59 0.508 15.901 7.668 440 2HB TRP 59 2HB TRP 59 0.984 14.280 7.200 441 HD1 TRP 59 HD TRP 59 -1.009 16.125 9.890 442 HE1 TRP 59 1HE TRP 59 -2.347 14.453 11.432 443 HE3 TRP 59 3HE TRP 59 1.184 11.899 8.104 444 HZ2 TRP 59 2HZ TRP 59 -2.339 11.614 11.725 445 HZ3 TRP 59 3HZ TRP 59 0.461 9.718 9.073 446 HH2 TRP 59 HH TRP 59 -1.236 9.534 10.822 447 H SER 60 H SER 60 3.981 14.282 6.814 448 HA SER 60 HA SER 60 4.514 16.939 5.760 449 1HB SER 60 1HB SER 60 6.347 16.015 7.353 450 2HB SER 60 2HB SER 60 6.698 14.850 6.092 451 HG SER 60 HG SER 60 6.791 16.923 4.665 452 H LYS 61 H LYS 61 4.245 17.000 3.551 453 HA LYS 61 HA LYS 61 3.373 14.773 2.149 454 1HB LYS 61 1HB LYS 61 4.520 17.400 1.161 455 2HB LYS 61 2HB LYS 61 3.714 16.225 0.142 456 1HG LYS 61 1HG LYS 61 2.047 16.689 2.458 457 2HG LYS 61 2HG LYS 61 2.524 18.247 1.813 458 1HD LYS 61 1HD LYS 61 1.769 16.336 -0.311 459 2HD LYS 61 2HD LYS 61 0.467 16.615 0.827 460 1HE LYS 61 1HE LYS 61 0.133 18.347 -0.733 461 2HE LYS 61 2HE LYS 61 1.035 19.164 0.527 462 1HZ LYS 61 1HZ LYS 61 3.052 18.474 -0.831 463 2HZ LYS 61 2HZ LYS 61 2.003 18.213 -2.057 464 3HZ LYS 61 3HZ LYS 61 2.137 19.701 -1.400 465 H LYS 62 H LYS 62 4.364 13.145 1.029 466 HA LYS 62 HA LYS 62 7.298 13.277 0.967 467 1HB LYS 62 1HB LYS 62 5.456 11.262 1.944 468 2HB LYS 62 2HB LYS 62 6.472 10.599 0.680 469 1HG LYS 62 1HG LYS 62 8.464 11.730 1.933 470 2HG LYS 62 2HG LYS 62 7.351 11.928 3.272 471 1HD LYS 62 1HD LYS 62 6.925 9.467 3.295 472 2HD LYS 62 2HD LYS 62 8.019 9.260 1.941 473 1HE LYS 62 1HE LYS 62 9.630 10.668 3.683 474 2HE LYS 62 2HE LYS 62 8.638 9.772 4.815 475 1HZ LYS 62 1HZ LYS 62 9.250 7.757 3.731 476 2HZ LYS 62 2HZ LYS 62 10.070 8.548 2.561 477 3HZ LYS 62 3HZ LYS 62 10.617 8.572 4.098 478 H CYS 63 H CYS 63 4.286 12.403 -0.793 479 HA CYS 63 HA CYS 63 5.227 13.280 -3.219 480 1HB CYS 63 1HB CYS 63 6.279 10.664 -2.578 481 2HB CYS 63 2HB CYS 63 5.203 10.547 -3.958 482 HG CYS 63 HG CYS 63 7.981 11.014 -4.301 483 H SER 64 H SER 64 3.284 13.765 -4.184 484 HA SER 64 HA SER 64 1.072 11.967 -3.567 485 1HB SER 64 1HB SER 64 -0.070 14.356 -4.452 486 2HB SER 64 2HB SER 64 0.054 13.832 -2.786 487 HG SER 64 HG SER 64 1.247 15.959 -3.961 488 H GLY 65 H GLY 65 -0.656 11.889 -5.350 489 1HA GLY 65 1HA GLY 65 -0.524 12.781 -7.876 490 2HA GLY 65 2HA GLY 65 0.674 11.503 -7.897 491 H VAL 66 H VAL 66 -0.541 10.132 -9.297 492 HA VAL 66 HA VAL 66 -3.162 9.302 -8.340 493 HB VAL 66 HB VAL 66 -2.928 9.941 -10.667 494 1HG1 VAL 66 1HG1 VAL 66 -0.664 7.971 -10.611 495 2HG1 VAL 66 2HG1 VAL 66 -1.583 8.192 -12.120 496 3HG1 VAL 66 3HG1 VAL 66 -0.760 9.580 -11.367 497 1HG2 VAL 66 1HG2 VAL 66 -3.475 7.464 -11.614 498 2HG2 VAL 66 2HG2 VAL 66 -3.668 7.179 -9.867 499 3HG2 VAL 66 3HG2 VAL 66 -4.629 8.440 -10.675 500 H ALA 67 H ALA 67 -3.543 7.366 -7.347 501 HA ALA 67 HA ALA 67 -1.275 5.494 -7.276 502 1HB ALA 67 1HB ALA 67 -1.821 6.830 -5.141 503 2HB ALA 67 2HB ALA 67 -3.316 5.869 -5.065 504 3HB ALA 67 3HB ALA 67 -1.734 5.059 -4.987 505 H CYS 68 H CYS 68 -1.775 3.265 -7.456 506 HA CYS 68 HA CYS 68 -4.587 2.652 -7.917 507 1HB CYS 68 1HB CYS 68 -3.133 3.095 -10.090 508 2HB CYS 68 2HB CYS 68 -2.560 1.467 -9.788 509 HG CYS 68 HG CYS 68 -5.741 1.992 -9.380 510 H LEU 69 H LEU 69 -5.140 0.543 -7.194 511 HA LEU 69 HA LEU 69 -3.044 -0.748 -5.639 512 1HB LEU 69 1HB LEU 69 -5.741 -0.170 -5.192 513 2HB LEU 69 2HB LEU 69 -5.693 -1.904 -5.441 514 HG LEU 69 HG LEU 69 -3.609 -0.879 -3.618 515 1HD1 LEU 69 1HD1 LEU 69 -5.898 0.452 -3.273 516 2HD1 LEU 69 2HD1 LEU 69 -6.303 -1.021 -2.359 517 3HD1 LEU 69 3HD1 LEU 69 -4.869 -0.064 -1.915 518 1HD2 LEU 69 1HD2 LEU 69 -4.116 -2.852 -2.374 519 2HD2 LEU 69 2HD2 LEU 69 -5.651 -3.081 -3.244 520 3HD2 LEU 69 3HD2 LEU 69 -4.104 -3.290 -4.098 521 H VAL 70 H VAL 70 -1.855 -2.280 -6.632 522 HA VAL 70 HA VAL 70 -3.197 -3.847 -8.719 523 HB VAL 70 HB VAL 70 -0.274 -3.249 -8.222 524 1HG1 VAL 70 1HG1 VAL 70 0.040 -5.224 -9.273 525 2HG1 VAL 70 2HG1 VAL 70 -1.626 -5.276 -9.900 526 3HG1 VAL 70 3HG1 VAL 70 -0.389 -4.304 -10.736 527 1HG2 VAL 70 1HG2 VAL 70 -1.944 -2.435 -10.610 528 2HG2 VAL 70 2HG2 VAL 70 -1.789 -1.413 -9.161 529 3HG2 VAL 70 3HG2 VAL 70 -0.345 -1.833 -10.114 530 H LYS 71 H LYS 71 -3.083 -6.133 -8.671 531 HA LYS 71 HA LYS 71 -1.978 -7.236 -6.188 532 1HB LYS 71 1HB LYS 71 -4.179 -7.355 -5.595 533 2HB LYS 71 2HB LYS 71 -4.753 -7.396 -7.249 534 1HG LYS 71 1HG LYS 71 -3.898 -9.750 -7.473 535 2HG LYS 71 2HG LYS 71 -3.370 -9.705 -5.802 536 1HD LYS 71 1HD LYS 71 -5.570 -9.705 -4.957 537 2HD LYS 71 2HD LYS 71 -6.248 -9.016 -6.418 538 1HE LYS 71 1HE LYS 71 -5.835 -11.151 -7.637 539 2HE LYS 71 2HE LYS 71 -5.107 -11.844 -6.202 540 1HZ LYS 71 1HZ LYS 71 -7.095 -12.189 -5.310 541 2HZ LYS 71 2HZ LYS 71 -7.697 -10.737 -5.750 542 3HZ LYS 71 3HZ LYS 71 -7.700 -11.977 -6.812 543 H ASP 72 H ASP 72 -0.721 -9.042 -6.445 544 HA ASP 72 HA ASP 72 -0.043 -9.703 -9.105 545 1HB ASP 72 1HB ASP 72 0.720 -11.070 -6.481 546 2HB ASP 72 2HB ASP 72 1.516 -11.324 -8.021 547 H ASN 73 H ASN 73 -1.431 -11.030 -10.299 548 HA ASN 73 HA ASN 73 -3.187 -12.802 -8.964 549 1HB ASN 73 1HB ASN 73 -2.647 -12.966 -11.940 550 2HB ASN 73 2HB ASN 73 -4.174 -13.118 -11.096 551 1HD2 ASN 73 1HD2 ASN 73 -3.730 -11.508 -13.344 552 2HD2 ASN 73 2HD2 ASN 73 -3.956 -9.844 -12.922 553 HA PRO 74 HA PRO 74 -0.047 -15.786 -11.021 554 1HB PRO 74 1HB PRO 74 2.418 -14.810 -11.683 555 2HB PRO 74 2HB PRO 74 1.112 -14.978 -12.839 556 1HG PRO 74 1HG PRO 74 2.152 -12.523 -11.562 557 2HG PRO 74 2HG PRO 74 1.165 -12.678 -13.002 558 1HD PRO 74 1HD PRO 74 0.281 -11.873 -10.395 559 2HD PRO 74 2HD PRO 74 -0.722 -12.140 -11.806 560 H GLN 75 H GLN 75 0.285 -13.723 -8.505 561 HA GLN 75 HA GLN 75 2.136 -15.603 -7.260 562 1HB GLN 75 1HB GLN 75 1.905 -12.630 -6.623 563 2HB GLN 75 2HB GLN 75 3.046 -13.757 -5.917 564 1HG GLN 75 1HG GLN 75 3.674 -14.190 -8.502 565 2HG GLN 75 2HG GLN 75 3.006 -12.581 -8.694 566 1HE2 GLN 75 1HE2 GLN 75 5.310 -14.496 -6.806 567 2HE2 GLN 75 2HE2 GLN 75 6.458 -13.235 -6.501 568 H ARG 76 H ARG 76 1.265 -13.299 -4.994 569 HA ARG 76 HA ARG 76 -1.356 -14.012 -4.436 570 1HB ARG 76 1HB ARG 76 -0.880 -15.342 -2.301 571 2HB ARG 76 2HB ARG 76 -0.566 -16.207 -3.793 572 1HG ARG 76 1HG ARG 76 1.789 -14.679 -2.889 573 2HG ARG 76 2HG ARG 76 1.249 -15.825 -1.679 574 1HD ARG 76 1HD ARG 76 1.083 -17.326 -4.027 575 2HD ARG 76 2HD ARG 76 2.492 -16.328 -4.325 576 HE ARG 76 HE ARG 76 2.960 -17.204 -1.767 577 1HH1 ARG 76 2HH2 ARG 76 2.071 -18.895 -4.721 578 2HH1 ARG 76 1HH2 ARG 76 2.870 -20.365 -4.272 579 1HH2 ARG 76 2HH1 ARG 76 4.014 -19.143 -1.173 580 2HH2 ARG 76 1HH1 ARG 76 3.983 -20.507 -2.241 581 H SER 77 H SER 77 0.379 -11.667 -4.592 582 HA SER 77 HA SER 77 -0.081 -10.686 -1.910 583 1HB SER 77 1HB SER 77 2.345 -11.344 -2.091 584 2HB SER 77 2HB SER 77 2.527 -10.222 -3.425 585 HG SER 77 HG SER 77 3.163 -9.051 -1.645 586 H TYR 78 H TYR 78 0.040 -8.183 -1.891 587 HA TYR 78 HA TYR 78 -0.866 -7.191 -4.510 588 1HB TYR 78 1HB TYR 78 -1.471 -6.228 -1.647 589 2HB TYR 78 2HB TYR 78 -2.282 -5.678 -3.100 590 HD1 TYR 78 1HD TYR 78 -3.683 -6.749 -0.656 591 HD2 TYR 78 2HD TYR 78 -2.298 -8.716 -4.193 592 HE1 TYR 78 1HE TYR 78 -5.450 -8.551 -0.354 593 HE2 TYR 78 2HE TYR 78 -4.069 -10.512 -3.880 594 HH TYR 78 HH TYR 78 -5.406 -11.306 -1.386 595 H PHE 79 H PHE 79 -0.417 -4.879 -4.950 596 HA PHE 79 HA PHE 79 1.817 -3.832 -3.385 597 1HB PHE 79 1HB PHE 79 1.564 -4.270 -6.418 598 2HB PHE 79 2HB PHE 79 2.770 -3.193 -5.738 599 HD1 PHE 79 1HD PHE 79 2.884 -5.958 -7.358 600 HD2 PHE 79 2HD PHE 79 3.566 -4.799 -3.332 601 HE1 PHE 79 1HE PHE 79 4.452 -7.896 -7.066 602 HE2 PHE 79 2HE PHE 79 5.134 -6.737 -3.040 603 HZ PHE 79 HZ PHE 79 5.558 -8.263 -4.910 604 H LEU 80 H LEU 80 1.682 -1.642 -3.018 605 HA LEU 80 HA LEU 80 -0.319 -0.198 -4.611 606 1HB LEU 80 1HB LEU 80 -1.075 -0.769 -2.309 607 2HB LEU 80 2HB LEU 80 0.263 0.165 -1.669 608 HG LEU 80 HG LEU 80 -0.650 2.209 -2.358 609 1HD1 LEU 80 1HD1 LEU 80 -2.851 2.117 -3.814 610 2HD1 LEU 80 2HD1 LEU 80 -1.238 2.078 -4.565 611 3HD1 LEU 80 3HD1 LEU 80 -2.157 0.569 -4.353 612 1HD2 LEU 80 1HD2 LEU 80 -1.839 1.262 -0.456 613 2HD2 LEU 80 2HD2 LEU 80 -2.939 2.233 -1.465 614 3HD2 LEU 80 3HD2 LEU 80 -2.987 0.456 -1.550 615 H ARG 81 H ARG 81 0.508 1.470 -5.749 616 HA ARG 81 HA ARG 81 2.815 2.794 -4.615 617 1HB ARG 81 1HB ARG 81 3.457 2.866 -7.295 618 2HB ARG 81 2HB ARG 81 4.133 1.717 -6.159 619 1HG ARG 81 1HG ARG 81 2.666 -0.022 -6.832 620 2HG ARG 81 2HG ARG 81 1.491 1.090 -7.503 621 1HD ARG 81 1HD ARG 81 2.537 0.199 -9.433 622 2HD ARG 81 2HD ARG 81 3.354 1.735 -9.222 623 HE ARG 81 HE ARG 81 4.821 -0.186 -7.734 624 1HH1 ARG 81 2HH2 ARG 81 4.007 0.474 -11.094 625 2HH1 ARG 81 1HH2 ARG 81 5.446 -0.260 -11.719 626 1HH2 ARG 81 2HH1 ARG 81 6.719 -1.154 -8.559 627 2HH2 ARG 81 1HH1 ARG 81 6.999 -1.192 -10.268 628 H ILE 82 H ILE 82 3.207 4.981 -5.713 629 HA ILE 82 HA ILE 82 0.675 6.003 -6.801 630 HB ILE 82 HB ILE 82 2.567 7.119 -4.768 631 1HG1 ILE 82 1HG1 ILE 82 -0.230 7.719 -4.414 632 2HG1 ILE 82 2HG1 ILE 82 -0.039 6.007 -4.736 633 1HG2 ILE 82 1HG2 ILE 82 2.545 8.904 -6.322 634 2HG2 ILE 82 2HG2 ILE 82 0.805 8.708 -6.641 635 3HG2 ILE 82 3HG2 ILE 82 1.356 9.322 -5.064 636 1HD1 ILE 82 1HD1 ILE 82 0.772 5.664 -2.653 637 2HD1 ILE 82 2HD1 ILE 82 2.067 6.855 -2.931 638 3HD1 ILE 82 3HD1 ILE 82 0.491 7.386 -2.298 639 H PHE 83 H PHE 83 0.787 7.449 -8.564 640 HA PHE 83 HA PHE 83 3.463 7.616 -9.765 641 1HB PHE 83 1HB PHE 83 1.065 7.810 -11.526 642 2HB PHE 83 2HB PHE 83 2.497 6.822 -11.740 643 HD1 PHE 83 1HD PHE 83 2.474 5.091 -9.393 644 HD2 PHE 83 2HD PHE 83 -0.760 6.418 -11.799 645 HE1 PHE 83 1HE PHE 83 1.159 3.051 -8.751 646 HE2 PHE 83 2HE PHE 83 -2.075 4.377 -11.158 647 HZ PHE 83 HZ PHE 83 -1.100 2.719 -9.642 648 H ASP 84 H ASP 84 3.973 9.556 -10.932 649 HA ASP 84 HA ASP 84 2.747 11.825 -9.809 650 1HB ASP 84 1HB ASP 84 5.203 11.353 -10.794 651 2HB ASP 84 2HB ASP 84 4.492 11.974 -12.270 652 H ILE 85 H ILE 85 1.615 13.554 -11.052 653 HA ILE 85 HA ILE 85 0.103 12.424 -13.274 654 HB ILE 85 HB ILE 85 -1.241 13.243 -11.504 655 1HG1 ILE 85 1HG1 ILE 85 -1.304 15.394 -13.634 656 2HG1 ILE 85 2HG1 ILE 85 -1.877 13.761 -13.907 657 1HG2 ILE 85 1HG2 ILE 85 -1.117 15.699 -10.847 658 2HG2 ILE 85 2HG2 ILE 85 0.187 14.640 -10.258 659 3HG2 ILE 85 3HG2 ILE 85 0.476 15.723 -11.640 660 1HD1 ILE 85 1HD1 ILE 85 -2.976 15.858 -12.018 661 2HD1 ILE 85 2HD1 ILE 85 -3.836 14.893 -13.240 662 3HD1 ILE 85 3HD1 ILE 85 -3.296 14.131 -11.724 663 H LYS 86 H LYS 86 2.860 14.327 -12.669 664 HA LYS 86 HA LYS 86 2.512 15.708 -15.237 665 1HB LYS 86 1HB LYS 86 3.543 16.569 -12.630 666 2HB LYS 86 2HB LYS 86 4.643 16.921 -13.947 667 1HG LYS 86 1HG LYS 86 2.469 17.797 -15.185 668 2HG LYS 86 2HG LYS 86 1.785 17.859 -13.573 669 1HD LYS 86 1HD LYS 86 4.512 19.057 -13.856 670 2HD LYS 86 2HD LYS 86 3.229 19.902 -14.700 671 1HE LYS 86 1HE LYS 86 2.158 20.537 -12.742 672 2HE LYS 86 2HE LYS 86 2.595 19.067 -11.894 673 1HZ LYS 86 1HZ LYS 86 4.927 20.447 -12.459 674 2HZ LYS 86 2HZ LYS 86 3.877 21.524 -11.824 675 3HZ LYS 86 3HZ LYS 86 4.256 20.167 -10.997 676 H ASP 87 H ASP 87 4.702 13.760 -13.148 677 HA ASP 87 HA ASP 87 6.573 13.560 -15.312 678 1HB ASP 87 1HB ASP 87 6.501 12.959 -12.415 679 2HB ASP 87 2HB ASP 87 7.321 11.715 -13.337 680 H GLY 88 H GLY 88 3.699 12.027 -14.202 681 1HA GLY 88 1HA GLY 88 2.699 10.047 -14.595 682 2HA GLY 88 2HA GLY 88 3.491 10.133 -16.155 683 H LYS 89 H LYS 89 5.327 9.976 -13.093 684 HA LYS 89 HA LYS 89 6.020 7.201 -13.763 685 1HB LYS 89 1HB LYS 89 7.770 9.562 -13.209 686 2HB LYS 89 2HB LYS 89 8.284 8.001 -12.606 687 1HG LYS 89 1HG LYS 89 8.024 7.032 -14.905 688 2HG LYS 89 2HG LYS 89 7.528 8.603 -15.506 689 1HD LYS 89 1HD LYS 89 9.780 9.498 -14.567 690 2HD LYS 89 2HD LYS 89 10.250 7.819 -14.382 691 1HE LYS 89 1HE LYS 89 9.106 8.292 -17.043 692 2HE LYS 89 2HE LYS 89 10.438 9.387 -16.736 693 1HZ LYS 89 1HZ LYS 89 11.338 7.028 -15.806 694 2HZ LYS 89 2HZ LYS 89 10.486 6.578 -17.124 695 3HZ LYS 89 3HZ LYS 89 11.697 7.665 -17.266 696 H LEU 90 H LEU 90 7.182 6.181 -11.694 697 HA LEU 90 HA LEU 90 5.197 6.262 -9.664 698 1HB LEU 90 1HB LEU 90 6.155 4.178 -10.171 699 2HB LEU 90 2HB LEU 90 7.792 4.793 -10.052 700 HG LEU 90 HG LEU 90 6.062 4.852 -7.605 701 1HD1 LEU 90 1HD1 LEU 90 6.316 2.494 -9.043 702 2HD1 LEU 90 2HD1 LEU 90 7.597 2.384 -7.811 703 3HD1 LEU 90 3HD1 LEU 90 5.908 2.649 -7.316 704 1HD2 LEU 90 1HD2 LEU 90 7.981 5.209 -6.515 705 2HD2 LEU 90 2HD2 LEU 90 8.850 3.954 -7.430 706 3HD2 LEU 90 3HD2 LEU 90 8.657 5.584 -8.119 707 H LEU 91 H LEU 91 5.131 7.405 -7.783 708 HA LEU 91 HA LEU 91 7.516 9.017 -7.198 709 1HB LEU 91 1HB LEU 91 4.600 9.611 -7.168 710 2HB LEU 91 2HB LEU 91 5.593 10.357 -5.932 711 HG LEU 91 HG LEU 91 5.852 10.659 -8.930 712 1HD1 LEU 91 1HD1 LEU 91 4.320 12.241 -8.471 713 2HD1 LEU 91 2HD1 LEU 91 4.718 12.280 -6.736 714 3HD1 LEU 91 3HD1 LEU 91 5.731 13.166 -7.902 715 1HD2 LEU 91 1HD2 LEU 91 7.644 12.441 -7.905 716 2HD2 LEU 91 2HD2 LEU 91 7.865 11.049 -6.817 717 3HD2 LEU 91 3HD2 LEU 91 8.058 10.844 -8.574 718 H TRP 92 H TRP 92 5.522 6.402 -6.218 719 HA TRP 92 HA TRP 92 7.006 6.129 -3.798 720 1HB TRP 92 1HB TRP 92 5.321 7.780 -3.083 721 2HB TRP 92 2HB TRP 92 4.042 6.682 -3.563 722 HD1 TRP 92 HD TRP 92 6.938 6.825 -0.961 723 HE1 TRP 92 1HE TRP 92 6.351 5.378 1.166 724 HE3 TRP 92 3HE TRP 92 2.592 4.930 -2.800 725 HZ2 TRP 92 2HZ TRP 92 4.184 3.643 1.827 726 HZ3 TRP 92 3HZ TRP 92 1.302 3.367 -1.350 727 HH2 TRP 92 HH TRP 92 2.032 2.718 0.890 728 H GLU 93 H GLU 93 6.877 3.938 -3.062 729 HA GLU 93 HA GLU 93 4.978 2.254 -4.436 730 1HB GLU 93 1HB GLU 93 6.583 0.781 -5.385 731 2HB GLU 93 2HB GLU 93 7.169 2.383 -5.783 732 1HG GLU 93 1HG GLU 93 8.689 2.298 -3.771 733 2HG GLU 93 2HG GLU 93 8.135 0.669 -3.445 734 H GLN 94 H GLN 94 4.209 0.629 -3.103 735 HA GLN 94 HA GLN 94 5.775 0.138 -0.695 736 1HB GLN 94 1HB GLN 94 3.292 1.461 -0.790 737 2HB GLN 94 2HB GLN 94 2.882 -0.169 -0.292 738 1HG GLN 94 1HG GLN 94 4.908 1.688 1.041 739 2HG GLN 94 2HG GLN 94 3.362 1.184 1.696 740 1HE2 GLN 94 1HE2 GLN 94 3.020 -1.158 1.986 741 2HE2 GLN 94 2HE2 GLN 94 4.342 -2.140 2.525 742 H GLU 95 H GLU 95 5.984 -2.027 -0.099 743 HA GLU 95 HA GLU 95 4.716 -3.882 -1.944 744 1HB GLU 95 1HB GLU 95 7.345 -3.757 -0.580 745 2HB GLU 95 2HB GLU 95 6.607 -5.346 -0.536 746 1HG GLU 95 1HG GLU 95 6.877 -5.677 -2.788 747 2HG GLU 95 2HG GLU 95 6.386 -4.042 -3.188 748 H LEU 96 H LEU 96 2.646 -3.928 -0.851 749 HA LEU 96 HA LEU 96 2.102 -4.169 1.755 750 1HB LEU 96 1HB LEU 96 0.792 -5.849 -0.383 751 2HB LEU 96 2HB LEU 96 0.093 -5.342 1.142 752 HG LEU 96 HG LEU 96 0.722 -3.643 -1.275 753 1HD1 LEU 96 1HD1 LEU 96 -1.385 -4.236 -1.734 754 2HD1 LEU 96 2HD1 LEU 96 -1.689 -4.814 -0.078 755 3HD1 LEU 96 3HD1 LEU 96 -1.837 -3.081 -0.457 756 1HD2 LEU 96 1HD2 LEU 96 -0.102 -1.700 0.073 757 2HD2 LEU 96 2HD2 LEU 96 0.034 -2.720 1.525 758 3HD2 LEU 96 3HD2 LEU 96 1.486 -2.331 0.572 759 H TYR 97 H TYR 97 1.723 -5.961 3.252 760 HA TYR 97 HA TYR 97 3.486 -8.243 2.658 761 1HB TYR 97 1HB TYR 97 3.491 -8.091 5.363 762 2HB TYR 97 2HB TYR 97 4.569 -7.075 4.427 763 HD1 TYR 97 1HD TYR 97 1.828 -7.144 6.764 764 HD2 TYR 97 2HD TYR 97 3.853 -4.677 3.915 765 HE1 TYR 97 1HE TYR 97 0.800 -5.071 7.817 766 HE2 TYR 97 2HE TYR 97 2.819 -2.612 4.979 767 HH TYR 97 HH TYR 97 0.488 -2.926 7.629 768 H ASN 98 H ASN 98 2.924 -10.256 3.901 769 HA ASN 98 HA ASN 98 0.420 -11.067 3.383 770 1HB ASN 98 1HB ASN 98 2.654 -12.244 4.440 771 2HB ASN 98 2HB ASN 98 1.668 -12.180 5.888 772 1HD2 ASN 98 1HD2 ASN 98 2.467 -13.972 3.250 773 2HD2 ASN 98 2HD2 ASN 98 1.099 -15.027 3.131 774 H ASN 99 H ASN 99 -1.541 -11.335 4.694 775 HA ASN 99 HA ASN 99 -3.077 -10.658 6.068 776 1HB ASN 99 1HB ASN 99 -0.672 -10.970 7.849 777 2HB ASN 99 2HB ASN 99 -2.032 -10.113 8.547 778 1HD2 ASN 99 1HD2 ASN 99 -4.127 -11.128 8.531 779 2HD2 ASN 99 2HD2 ASN 99 -4.271 -12.853 8.622 780 H PHE 100 H PHE 100 -2.630 -8.589 4.501 781 HA PHE 100 HA PHE 100 -1.649 -6.310 5.985 782 1HB PHE 100 1HB PHE 100 -1.184 -6.792 3.517 783 2HB PHE 100 2HB PHE 100 -2.902 -6.668 3.196 784 HD1 PHE 100 1HD PHE 100 -0.016 -4.709 4.484 785 HD2 PHE 100 2HD PHE 100 -3.855 -4.600 2.678 786 HE1 PHE 100 1HE PHE 100 0.233 -2.241 4.105 787 HE2 PHE 100 2HE PHE 100 -3.607 -2.131 2.299 788 HZ PHE 100 HZ PHE 100 -1.565 -0.981 3.018 789 H VAL 101 H VAL 101 -2.895 -4.604 6.764 790 HA VAL 101 HA VAL 101 -5.793 -4.890 6.381 791 HB VAL 101 HB VAL 101 -4.224 -4.302 8.891 792 1HG1 VAL 101 1HG1 VAL 101 -6.417 -3.945 10.002 793 2HG1 VAL 101 2HG1 VAL 101 -6.040 -2.693 8.794 794 3HG1 VAL 101 3HG1 VAL 101 -7.205 -3.982 8.406 795 1HG2 VAL 101 1HG2 VAL 101 -4.433 -6.629 8.656 796 2HG2 VAL 101 2HG2 VAL 101 -5.782 -6.181 9.728 797 3HG2 VAL 101 3HG2 VAL 101 -6.086 -6.510 8.005 798 H TYR 102 H TYR 102 -6.994 -2.817 6.599 799 HA TYR 102 HA TYR 102 -5.261 -0.551 5.873 800 1HB TYR 102 1HB TYR 102 -7.209 -1.919 4.386 801 2HB TYR 102 2HB TYR 102 -8.174 -0.655 5.120 802 HD1 TYR 102 1HD TYR 102 -5.640 1.314 5.109 803 HD2 TYR 102 2HD TYR 102 -7.676 -1.006 2.146 804 HE1 TYR 102 1HE TYR 102 -4.879 2.936 3.305 805 HE2 TYR 102 2HE TYR 102 -6.908 0.623 0.353 806 HH TYR 102 HH TYR 102 -6.201 3.335 0.570 807 H ASN 103 H ASN 103 -5.273 1.070 7.342 808 HA ASN 103 HA ASN 103 -7.358 1.048 9.314 809 1HB ASN 103 1HB ASN 103 -4.945 2.914 9.015 810 2HB ASN 103 2HB ASN 103 -5.962 2.785 10.436 811 1HD2 ASN 103 1HD2 ASN 103 -5.757 1.101 11.831 812 2HD2 ASN 103 2HD2 ASN 103 -4.489 -0.076 11.768 813 H SER 104 H SER 104 -9.052 2.575 9.352 814 HA SER 104 HA SER 104 -8.730 4.989 7.826 815 1HB SER 104 1HB SER 104 -10.734 4.688 6.486 816 2HB SER 104 2HB SER 104 -9.679 3.315 6.213 817 HG SER 104 HG SER 104 -10.996 2.215 7.961 818 HA PRO 105 HA PRO 105 -11.117 5.248 11.730 819 1HB PRO 105 1HB PRO 105 -9.414 6.844 13.151 820 2HB PRO 105 2HB PRO 105 -9.429 5.097 13.287 821 1HG PRO 105 1HG PRO 105 -7.479 6.833 11.900 822 2HG PRO 105 2HG PRO 105 -7.298 5.166 12.408 823 1HD PRO 105 1HD PRO 105 -7.781 6.103 9.740 824 2HD PRO 105 2HD PRO 105 -7.716 4.434 10.268 825 H ARG 106 H ARG 106 -10.190 7.140 9.241 826 HA ARG 106 HA ARG 106 -11.728 9.353 10.343 827 1HB ARG 106 1HB ARG 106 -9.287 9.215 8.642 828 2HB ARG 106 2HB ARG 106 -10.479 10.364 8.067 829 1HG ARG 106 1HG ARG 106 -9.487 10.281 10.954 830 2HG ARG 106 2HG ARG 106 -8.777 11.306 9.723 831 1HD ARG 106 1HD ARG 106 -10.353 12.866 10.223 832 2HD ARG 106 2HD ARG 106 -11.547 11.806 9.501 833 HE ARG 106 HE ARG 106 -11.355 10.735 12.003 834 1HH1 ARG 106 2HH2 ARG 106 -11.703 14.068 10.927 835 2HH1 ARG 106 1HH2 ARG 106 -12.558 14.571 12.348 836 1HH2 ARG 106 2HH1 ARG 106 -12.481 11.399 13.877 837 2HH2 ARG 106 1HH1 ARG 106 -13.003 13.043 14.037 838 H GLY 107 H GLY 107 -12.515 10.730 8.102 839 1HA GLY 107 1HA GLY 107 -14.582 9.105 7.034 840 2HA GLY 107 2HA GLY 107 -14.173 10.747 6.577 841 H TYR 108 H TYR 108 -11.654 10.673 5.536 842 HA TYR 108 HA TYR 108 -11.567 8.465 3.633 843 1HB TYR 108 1HB TYR 108 -11.225 10.330 1.853 844 2HB TYR 108 2HB TYR 108 -12.858 10.201 2.475 845 HD1 TYR 108 1HD TYR 108 -13.503 11.783 4.441 846 HD2 TYR 108 2HD TYR 108 -10.091 12.384 1.931 847 HE1 TYR 108 1HE TYR 108 -13.437 14.235 5.107 848 HE2 TYR 108 2HE TYR 108 -10.035 14.834 2.606 849 HH TYR 108 HH TYR 108 -12.622 16.249 4.472 850 H PHE 109 H PHE 109 -9.882 8.733 5.826 851 HA PHE 109 HA PHE 109 -7.398 9.425 4.465 852 1HB PHE 109 1HB PHE 109 -8.368 11.265 6.080 853 2HB PHE 109 2HB PHE 109 -8.066 10.127 7.378 854 HD1 PHE 109 1HD PHE 109 -6.580 12.490 5.070 855 HD2 PHE 109 2HD PHE 109 -5.739 9.477 7.937 856 HE1 PHE 109 1HE PHE 109 -4.214 13.313 5.241 857 HE2 PHE 109 2HE PHE 109 -3.374 10.300 8.109 858 HZ PHE 109 HZ PHE 109 -2.639 12.207 6.758 859 H HIS 110 H HIS 110 -6.494 7.404 4.319 860 HA HIS 110 HA HIS 110 -6.713 5.688 6.663 861 1HB HIS 110 1HB HIS 110 -5.673 4.960 3.918 862 2HB HIS 110 2HB HIS 110 -6.127 3.869 5.212 863 HD2 HIS 110 2HD HIS 110 -9.044 5.917 5.548 864 HE1 HIS 110 1HE HIS 110 -9.954 3.762 1.993 865 HE2 HIS 110 2HE HIS 110 -10.884 5.180 3.947 866 H THR 111 H THR 111 -4.907 4.976 7.821 867 HA THR 111 HA THR 111 -2.348 6.174 6.984 868 HB THR 111 HB THR 111 -1.949 6.358 9.510 869 HG1 THR 111 1HG THR 111 -3.714 4.759 9.934 870 1HG2 THR 111 1HG2 THR 111 -3.473 8.078 7.842 871 2HG2 THR 111 2HG2 THR 111 -4.450 7.883 9.317 872 3HG2 THR 111 3HG2 THR 111 -2.781 8.489 9.430 873 H PHE 112 H PHE 112 -0.415 5.002 7.566 874 HA PHE 112 HA PHE 112 -0.685 2.362 8.602 875 1HB PHE 112 1HB PHE 112 -0.061 1.220 6.507 876 2HB PHE 112 2HB PHE 112 -1.462 2.213 6.160 877 HD1 PHE 112 1HD PHE 112 -0.978 4.584 5.199 878 HD2 PHE 112 2HD PHE 112 1.838 1.411 5.183 879 HE1 PHE 112 1HE PHE 112 0.282 5.711 3.342 880 HE2 PHE 112 2HE PHE 112 3.098 2.537 3.326 881 HZ PHE 112 HZ PHE 112 2.304 4.673 2.428 882 H ALA 113 H ALA 113 1.580 1.158 8.205 883 HA ALA 113 HA ALA 113 3.553 3.059 9.107 884 1HB ALA 113 1HB ALA 113 3.575 1.089 10.364 885 2HB ALA 113 2HB ALA 113 3.293 0.057 8.943 886 3HB ALA 113 3HB ALA 113 4.891 0.797 9.203 887 H GLY 114 H GLY 114 5.384 3.722 7.989 888 1HA GLY 114 1HA GLY 114 5.359 3.146 5.116 889 2HA GLY 114 2HA GLY 114 6.187 4.459 5.931 890 H ASP 115 H ASP 115 8.020 3.644 4.485 891 HA ASP 115 HA ASP 115 9.172 1.251 4.584 892 1HB ASP 115 1HB ASP 115 10.926 3.698 4.921 893 2HB ASP 115 2HB ASP 115 11.186 2.304 3.889 894 H THR 116 H THR 116 10.244 4.039 6.690 895 HA THR 116 HA THR 116 10.755 2.092 8.838 896 HB THR 116 HB THR 116 12.868 3.220 9.288 897 HG1 THR 116 1HG THR 116 13.320 5.146 7.921 898 1HG2 THR 116 1HG2 THR 116 12.495 1.852 6.906 899 2HG2 THR 116 2HG2 THR 116 13.081 3.427 6.320 900 3HG2 THR 116 3HG2 THR 116 14.067 2.478 7.458 901 H CYS 117 H CYS 117 9.037 4.798 7.756 902 HA CYS 117 HA CYS 117 8.532 5.529 10.544 903 1HB CYS 117 1HB CYS 117 9.787 7.210 8.736 904 2HB CYS 117 2HB CYS 117 8.112 7.712 8.622 905 HG CYS 117 HG CYS 117 9.655 7.101 11.481 906 H GLN 118 H GLN 118 6.270 6.460 10.813 907 HA GLN 118 HA GLN 118 4.482 4.889 9.246 908 1HB GLN 118 1HB GLN 118 4.055 5.027 11.618 909 2HB GLN 118 2HB GLN 118 4.111 6.779 11.601 910 1HG GLN 118 1HG GLN 118 1.884 6.849 11.197 911 2HG GLN 118 2HG GLN 118 2.130 6.015 9.677 912 1HE2 GLN 118 1HE2 GLN 118 0.404 5.939 12.383 913 2HE2 GLN 118 2HE2 GLN 118 0.113 4.244 12.593 914 H VAL 119 H VAL 119 3.363 5.554 7.457 915 HA VAL 119 HA VAL 119 3.240 8.456 7.001 916 HB VAL 119 HB VAL 119 3.242 7.841 4.576 917 1HG1 VAL 119 1HG1 VAL 119 5.473 7.783 6.462 918 2HG1 VAL 119 2HG1 VAL 119 5.826 6.891 4.963 919 3HG1 VAL 119 3HG1 VAL 119 5.327 8.598 4.886 920 1HG2 VAL 119 1HG2 VAL 119 2.784 5.288 5.405 921 2HG2 VAL 119 2HG2 VAL 119 3.437 5.724 3.808 922 3HG2 VAL 119 3HG2 VAL 119 4.539 5.237 5.118 923 H ALA 120 H ALA 120 1.303 9.230 5.875 924 HA ALA 120 HA ALA 120 -0.946 7.355 6.145 925 1HB ALA 120 1HB ALA 120 -1.390 8.739 7.937 926 2HB ALA 120 2HB ALA 120 -0.539 10.127 7.217 927 3HB ALA 120 3HB ALA 120 -2.164 9.684 6.642 928 H LEU 121 H LEU 121 -2.708 7.713 4.625 929 HA LEU 121 HA LEU 121 -1.840 9.280 2.295 930 1HB LEU 121 1HB LEU 121 -2.926 7.623 0.886 931 2HB LEU 121 2HB LEU 121 -1.609 6.941 1.820 932 HG LEU 121 HG LEU 121 -4.150 6.632 3.207 933 1HD1 LEU 121 1HD1 LEU 121 -5.472 5.530 1.732 934 2HD1 LEU 121 2HD1 LEU 121 -4.647 6.604 0.577 935 3HD1 LEU 121 3HD1 LEU 121 -4.100 4.923 0.775 936 1HD2 LEU 121 1HD2 LEU 121 -2.126 4.630 2.167 937 2HD2 LEU 121 2HD2 LEU 121 -2.103 5.414 3.764 938 3HD2 LEU 121 3HD2 LEU 121 -3.426 4.302 3.337 939 H ASN 122 H ASN 122 -3.395 10.569 1.266 940 HA ASN 122 HA ASN 122 -5.997 10.566 2.570 941 1HB ASN 122 1HB ASN 122 -4.770 12.488 3.480 942 2HB ASN 122 2HB ASN 122 -4.233 12.971 1.884 943 1HD2 ASN 122 1HD2 ASN 122 -5.894 13.541 0.296 944 2HD2 ASN 122 2HD2 ASN 122 -7.325 14.365 0.817 945 H PHE 123 H PHE 123 -7.592 10.314 0.995 946 HA PHE 123 HA PHE 123 -6.853 10.456 -1.760 947 1HB PHE 123 1HB PHE 123 -9.585 10.166 -0.374 948 2HB PHE 123 2HB PHE 123 -9.224 9.682 -2.019 949 HD1 PHE 123 1HD PHE 123 -7.880 7.677 -2.458 950 HD2 PHE 123 2HD PHE 123 -8.931 8.792 1.499 951 HE1 PHE 123 1HE PHE 123 -7.278 5.377 -1.650 952 HE2 PHE 123 2HE PHE 123 -8.329 6.494 2.307 953 HZ PHE 123 HZ PHE 123 -7.510 4.813 0.722 954 H ALA 124 H ALA 124 -8.148 11.696 -3.395 955 HA ALA 124 HA ALA 124 -8.381 14.425 -2.513 956 1HB ALA 124 1HB ALA 124 -8.962 14.674 -5.034 957 2HB ALA 124 2HB ALA 124 -7.316 14.156 -4.600 958 3HB ALA 124 3HB ALA 124 -8.507 12.957 -5.159 959 H ASN 125 H ASN 125 -10.445 11.639 -2.969 960 HA ASN 125 HA ASN 125 -12.718 13.408 -2.548 961 1HB ASN 125 1HB ASN 125 -12.245 11.562 -4.770 962 2HB ASN 125 2HB ASN 125 -13.658 11.045 -3.870 963 1HD2 ASN 125 1HD2 ASN 125 -12.143 13.719 -5.576 964 2HD2 ASN 125 2HD2 ASN 125 -13.581 14.602 -5.964 965 H GLU 126 H GLU 126 -14.548 12.251 -1.382 966 HA GLU 126 HA GLU 126 -13.470 10.541 0.600 967 1HB GLU 126 1HB GLU 126 -15.230 12.310 1.003 968 2HB GLU 126 2HB GLU 126 -16.377 11.328 0.113 969 1HG GLU 126 1HG GLU 126 -16.426 9.637 1.761 970 2HG GLU 126 2HG GLU 126 -14.851 10.065 2.399 971 H GLU 127 H GLU 127 -15.933 10.201 -2.042 972 HA GLU 127 HA GLU 127 -16.618 7.607 -1.537 973 1HB GLU 127 1HB GLU 127 -16.997 9.541 -3.633 974 2HB GLU 127 2HB GLU 127 -16.563 8.021 -4.390 975 1HG GLU 127 1HG GLU 127 -18.355 6.851 -3.125 976 2HG GLU 127 2HG GLU 127 -18.765 8.339 -2.295 977 H GLU 128 H GLU 128 -13.977 8.903 -3.658 978 HA GLU 128 HA GLU 128 -13.116 6.505 -4.639 979 1HB GLU 128 1HB GLU 128 -12.068 9.239 -4.382 980 2HB GLU 128 2HB GLU 128 -10.786 8.046 -4.318 981 1HG GLU 128 1HG GLU 128 -12.124 6.995 -6.400 982 2HG GLU 128 2HG GLU 128 -12.722 8.635 -6.558 983 H ALA 129 H ALA 129 -12.649 7.980 -1.444 984 HA ALA 129 HA ALA 129 -10.530 6.189 -0.710 985 1HB ALA 129 1HB ALA 129 -10.793 8.528 0.161 986 2HB ALA 129 2HB ALA 129 -12.269 8.005 1.006 987 3HB ALA 129 3HB ALA 129 -10.694 7.302 1.446 988 H LYS 130 H LYS 130 -14.091 6.413 -0.386 989 HA LYS 130 HA LYS 130 -14.298 4.307 1.489 990 1HB LYS 130 1HB LYS 130 -15.971 6.182 0.951 991 2HB LYS 130 2HB LYS 130 -16.455 5.211 -0.424 992 1HG LYS 130 1HG LYS 130 -16.852 3.265 1.164 993 2HG LYS 130 2HG LYS 130 -16.509 4.343 2.503 994 1HD LYS 130 1HD LYS 130 -18.449 5.662 2.115 995 2HD LYS 130 2HD LYS 130 -18.606 5.122 0.455 996 1HE LYS 130 1HE LYS 130 -20.009 3.468 1.114 997 2HE LYS 130 2HE LYS 130 -18.743 2.776 2.109 998 1HZ LYS 130 1HZ LYS 130 -20.479 4.985 2.968 999 2HZ LYS 130 2HZ LYS 130 -20.724 3.418 3.354 1000 3HZ LYS 130 3HZ LYS 130 -19.391 4.192 3.892 1001 H LYS 131 H LYS 131 -14.510 4.523 -2.110 1002 HA LYS 131 HA LYS 131 -15.145 1.801 -2.449 1003 1HB LYS 131 1HB LYS 131 -14.628 2.221 -4.809 1004 2HB LYS 131 2HB LYS 131 -15.664 3.464 -4.137 1005 1HG LYS 131 1HG LYS 131 -14.117 4.843 -5.164 1006 2HG LYS 131 2HG LYS 131 -13.303 4.658 -3.624 1007 1HD LYS 131 1HD LYS 131 -11.536 3.663 -4.634 1008 2HD LYS 131 2HD LYS 131 -12.575 2.408 -5.281 1009 1HE LYS 131 1HE LYS 131 -12.639 3.361 -7.363 1010 2HE LYS 131 2HE LYS 131 -12.864 4.977 -6.722 1011 1HZ LYS 131 1HZ LYS 131 -10.757 5.323 -7.188 1012 2HZ LYS 131 2HZ LYS 131 -10.315 4.239 -6.049 1013 3HZ LYS 131 3HZ LYS 131 -10.501 3.764 -7.601 1014 H PHE 132 H PHE 132 -12.155 3.585 -1.853 1015 HA PHE 132 HA PHE 132 -10.373 1.685 -2.870 1016 1HB PHE 132 1HB PHE 132 -10.365 4.210 -1.623 1017 2HB PHE 132 2HB PHE 132 -9.645 3.197 -0.388 1018 HD1 PHE 132 1HD PHE 132 -7.430 2.343 -0.629 1019 HD2 PHE 132 2HD PHE 132 -9.268 4.411 -3.848 1020 HE1 PHE 132 1HE PHE 132 -5.215 2.488 -1.801 1021 HE2 PHE 132 2HE PHE 132 -7.053 4.555 -5.019 1022 HZ PHE 132 HZ PHE 132 -5.053 3.592 -3.982 1023 H ARG 133 H ARG 133 -11.464 2.302 0.548 1024 HA ARG 133 HA ARG 133 -10.118 0.108 1.559 1025 1HB ARG 133 1HB ARG 133 -11.367 2.212 2.691 1026 2HB ARG 133 2HB ARG 133 -12.685 1.066 2.841 1027 1HG ARG 133 1HG ARG 133 -10.625 -0.492 3.746 1028 2HG ARG 133 2HG ARG 133 -10.016 1.085 4.204 1029 1HD ARG 133 1HD ARG 133 -11.502 1.252 5.922 1030 2HD ARG 133 2HD ARG 133 -12.855 0.875 4.875 1031 HE ARG 133 HE ARG 133 -11.287 -1.500 5.456 1032 1HH1 ARG 133 2HH2 ARG 133 -13.739 0.646 6.785 1033 2HH1 ARG 133 1HH2 ARG 133 -14.408 -0.560 7.834 1034 1HH2 ARG 133 2HH1 ARG 133 -12.169 -3.090 6.840 1035 2HH2 ARG 133 1HH1 ARG 133 -13.509 -2.699 7.865 1036 H LYS 134 H LYS 134 -13.257 0.494 -0.046 1037 HA LYS 134 HA LYS 134 -14.401 -1.920 0.882 1038 1HB LYS 134 1HB LYS 134 -15.308 0.306 -0.435 1039 2HB LYS 134 2HB LYS 134 -15.286 -0.872 -1.732 1040 1HG LYS 134 1HG LYS 134 -16.352 -2.254 0.514 1041 2HG LYS 134 2HG LYS 134 -17.111 -0.675 0.542 1042 1HD LYS 134 1HD LYS 134 -16.947 -2.294 -2.030 1043 2HD LYS 134 2HD LYS 134 -18.239 -2.558 -0.876 1044 1HE LYS 134 1HE LYS 134 -17.638 0.264 -1.807 1045 2HE LYS 134 2HE LYS 134 -18.554 -0.807 -2.849 1046 1HZ LYS 134 1HZ LYS 134 -20.173 -1.070 -1.177 1047 2HZ LYS 134 2HZ LYS 134 -19.268 -0.317 -0.045 1048 3HZ LYS 134 3HZ LYS 134 -19.892 0.535 -1.291 1049 H ALA 135 H ALA 135 -12.368 -0.980 -1.927 1050 HA ALA 135 HA ALA 135 -12.608 -3.441 -3.267 1051 1HB ALA 135 1HB ALA 135 -10.078 -1.948 -3.591 1052 2HB ALA 135 2HB ALA 135 -11.306 -2.395 -4.800 1053 3HB ALA 135 3HB ALA 135 -11.541 -0.952 -3.786 1054 H VAL 136 H VAL 136 -10.092 -2.099 -1.018 1055 HA VAL 136 HA VAL 136 -8.430 -4.301 -1.030 1056 HB VAL 136 HB VAL 136 -9.060 -2.217 1.059 1057 1HG1 VAL 136 1HG1 VAL 136 -8.190 -4.250 2.168 1058 2HG1 VAL 136 2HG1 VAL 136 -6.770 -4.213 1.095 1059 3HG1 VAL 136 3HG1 VAL 136 -7.045 -2.890 2.254 1060 1HG2 VAL 136 1HG2 VAL 136 -7.349 -2.363 -1.311 1061 2HG2 VAL 136 2HG2 VAL 136 -7.885 -0.951 -0.370 1062 3HG2 VAL 136 3HG2 VAL 136 -6.460 -1.880 0.153 1063 H THR 137 H THR 137 -11.037 -3.493 1.378 1064 HA THR 137 HA THR 137 -10.903 -5.815 2.837 1065 HB THR 137 HB THR 137 -13.299 -5.221 3.402 1066 HG1 THR 137 1HG THR 137 -12.873 -3.050 1.518 1067 1HG2 THR 137 1HG2 THR 137 -12.007 -3.761 4.690 1068 2HG2 THR 137 2HG2 THR 137 -11.106 -3.156 3.278 1069 3HG2 THR 137 3HG2 THR 137 -12.755 -2.570 3.600 1070 H ASP 138 H ASP 138 -12.850 -5.201 -0.151 1071 HA ASP 138 HA ASP 138 -14.134 -7.583 -0.222 1072 1HB ASP 138 1HB ASP 138 -13.438 -5.451 -2.088 1073 2HB ASP 138 2HB ASP 138 -13.355 -6.997 -2.909 1074 H LEU 139 H LEU 139 -10.830 -6.672 -1.380 1075 HA LEU 139 HA LEU 139 -10.275 -9.181 -2.560 1076 1HB LEU 139 1HB LEU 139 -8.961 -6.626 -2.137 1077 2HB LEU 139 2HB LEU 139 -7.855 -7.965 -1.900 1078 HG LEU 139 HG LEU 139 -8.768 -8.828 -4.185 1079 1HD1 LEU 139 1HD1 LEU 139 -10.109 -6.249 -3.948 1080 2HD1 LEU 139 2HD1 LEU 139 -9.149 -6.387 -5.440 1081 3HD1 LEU 139 3HD1 LEU 139 -10.399 -7.599 -5.071 1082 1HD2 LEU 139 1HD2 LEU 139 -7.121 -7.310 -5.387 1083 2HD2 LEU 139 2HD2 LEU 139 -6.882 -6.496 -3.822 1084 3HD2 LEU 139 3HD2 LEU 139 -6.495 -8.225 -3.994 1085 H LEU 140 H LEU 140 -9.648 -7.696 0.666 1086 HA LEU 140 HA LEU 140 -8.086 -9.807 1.633 1087 1HB LEU 140 1HB LEU 140 -9.457 -7.428 2.695 1088 2HB LEU 140 2HB LEU 140 -9.257 -8.731 3.850 1089 HG LEU 140 HG LEU 140 -6.748 -8.649 2.842 1090 1HD1 LEU 140 1HD1 LEU 140 -6.244 -6.808 1.718 1091 2HD1 LEU 140 2HD1 LEU 140 -7.951 -6.310 1.787 1092 3HD1 LEU 140 3HD1 LEU 140 -6.822 -5.794 3.062 1093 1HD2 LEU 140 1HD2 LEU 140 -6.958 -6.617 4.882 1094 2HD2 LEU 140 2HD2 LEU 140 -8.044 -7.980 5.243 1095 3HD2 LEU 140 3HD2 LEU 140 -6.306 -8.271 4.983 1096 H GLY 141 H GLY 141 -11.618 -9.242 1.461 1097 1HA GLY 141 1HA GLY 141 -12.368 -11.377 3.161 1098 2HA GLY 141 2HA GLY 141 -13.371 -10.558 1.979 1099 H ARG 142 H ARG 142 -12.073 -11.054 -0.448 1100 HA ARG 142 HA ARG 142 -12.975 -13.582 -1.011 1101 1HB ARG 142 1HB ARG 142 -12.120 -11.402 -2.479 1102 2HB ARG 142 2HB ARG 142 -10.807 -12.523 -2.777 1103 1HG ARG 142 1HG ARG 142 -12.087 -13.776 -4.176 1104 2HG ARG 142 2HG ARG 142 -13.361 -13.921 -2.980 1105 1HD ARG 142 1HD ARG 142 -14.538 -12.700 -4.555 1106 2HD ARG 142 2HD ARG 142 -13.815 -11.352 -3.699 1107 HE ARG 142 HE ARG 142 -11.924 -12.103 -5.642 1108 1HH1 ARG 142 2HH2 ARG 142 -15.251 -10.957 -5.614 1109 2HH1 ARG 142 1HH2 ARG 142 -15.131 -10.183 -7.159 1110 1HH2 ARG 142 2HH1 ARG 142 -11.765 -11.082 -7.679 1111 2HH2 ARG 142 1HH1 ARG 142 -13.135 -10.255 -8.343 1112 H ARG 143 H ARG 143 -9.659 -12.328 -0.318 1113 HA ARG 143 HA ARG 143 -8.270 -14.592 -0.969 1114 1HB ARG 143 1HB ARG 143 -7.342 -12.291 -0.348 1115 2HB ARG 143 2HB ARG 143 -7.627 -12.685 1.335 1116 1HG ARG 143 1HG ARG 143 -6.087 -14.705 -0.268 1117 2HG ARG 143 2HG ARG 143 -5.269 -13.193 0.077 1118 1HD ARG 143 1HD ARG 143 -4.908 -13.805 2.237 1119 2HD ARG 143 2HD ARG 143 -6.613 -14.127 2.487 1120 HE ARG 143 HE ARG 143 -6.196 -16.408 2.183 1121 1HH1 ARG 143 2HH2 ARG 143 -3.512 -14.569 0.845 1122 2HH1 ARG 143 1HH2 ARG 143 -2.547 -15.971 0.521 1123 1HH2 ARG 143 2HH1 ARG 143 -4.924 -18.257 1.756 1124 2HH2 ARG 143 1HH1 ARG 143 -3.355 -18.083 1.043 1125 H GLN 144 H GLN 144 -9.608 -13.537 2.247 1126 HA GLN 144 HA GLN 144 -9.285 -16.303 3.111 1127 1HB GLN 144 1HB GLN 144 -8.220 -14.088 4.305 1128 2HB GLN 144 2HB GLN 144 -9.755 -14.167 5.147 1129 1HG GLN 144 1HG GLN 144 -8.670 -15.650 6.514 1130 2HG GLN 144 2HG GLN 144 -9.031 -16.810 5.250 1131 1HE2 GLN 144 1HE2 GLN 144 -7.049 -17.628 6.551 1132 2HE2 GLN 144 2HE2 GLN 144 -5.498 -17.309 5.850 Start of MODEL 13 1 1H ASP 1 H ASP 1 -9.481 17.031 6.590 2 HA ASP 1 HA ASP 1 -8.595 18.753 8.766 3 1HB ASP 1 1HB ASP 1 -10.866 16.774 8.642 4 2HB ASP 1 2HB ASP 1 -9.970 16.877 10.144 5 H LEU 2 H LEU 2 -6.407 17.996 8.687 6 HA LEU 2 HA LEU 2 -5.741 15.301 8.240 7 1HB LEU 2 1HB LEU 2 -4.327 17.776 9.104 8 2HB LEU 2 2HB LEU 2 -3.538 16.239 9.395 9 HG LEU 2 HG LEU 2 -2.814 17.288 7.296 10 1HD1 LEU 2 1HD1 LEU 2 -3.635 15.235 5.783 11 2HD1 LEU 2 2HD1 LEU 2 -2.410 15.071 7.065 12 3HD1 LEU 2 3HD1 LEU 2 -4.100 14.611 7.384 13 1HD2 LEU 2 1HD2 LEU 2 -5.612 17.758 6.947 14 2HD2 LEU 2 2HD2 LEU 2 -4.243 18.336 5.968 15 3HD2 LEU 2 3HD2 LEU 2 -5.019 16.781 5.581 16 HA PRO 3 HA PRO 3 -6.605 13.768 12.207 17 1HB PRO 3 1HB PRO 3 -5.694 11.217 11.847 18 2HB PRO 3 2HB PRO 3 -7.290 11.744 11.351 19 1HG PRO 3 1HG PRO 3 -4.910 11.216 9.679 20 2HG PRO 3 2HG PRO 3 -6.590 11.325 9.193 21 1HD PRO 3 1HD PRO 3 -4.565 13.322 8.822 22 2HD PRO 3 2HD PRO 3 -6.269 13.473 8.443 23 HA PRO 4 HA PRO 4 -3.067 13.938 14.542 24 1HB PRO 4 1HB PRO 4 -3.623 12.389 16.724 25 2HB PRO 4 2HB PRO 4 -4.214 14.029 16.536 26 1HG PRO 4 1HG PRO 4 -5.686 11.482 16.239 27 2HG PRO 4 2HG PRO 4 -6.323 13.097 16.477 28 1HD PRO 4 1HD PRO 4 -6.256 11.622 14.018 29 2HD PRO 4 2HD PRO 4 -6.786 13.279 14.232 30 HA PRO 5 HA PRO 5 -0.575 10.680 13.388 31 1HB PRO 5 1HB PRO 5 1.840 11.652 14.221 32 2HB PRO 5 2HB PRO 5 1.110 12.084 12.687 33 1HG PRO 5 1HG PRO 5 1.315 13.691 15.160 34 2HG PRO 5 2HG PRO 5 0.988 14.229 13.526 35 1HD PRO 5 1HD PRO 5 -0.918 13.933 15.649 36 2HD PRO 5 2HD PRO 5 -1.262 14.359 13.984 37 H GLU 6 H GLU 6 -0.140 8.700 14.172 38 HA GLU 6 HA GLU 6 0.007 8.670 17.079 39 1HB GLU 6 1HB GLU 6 -1.266 6.915 15.046 40 2HB GLU 6 2HB GLU 6 -0.449 6.050 16.333 41 1HG GLU 6 1HG GLU 6 -2.653 6.377 17.167 42 2HG GLU 6 2HG GLU 6 -1.703 7.603 17.982 43 HA PRO 7 HA PRO 7 4.049 7.115 16.794 44 1HB PRO 7 1HB PRO 7 4.325 5.891 19.222 45 2HB PRO 7 2HB PRO 7 4.481 7.621 18.999 46 1HG PRO 7 1HG PRO 7 2.240 6.099 20.181 47 2HG PRO 7 2HG PRO 7 2.606 7.806 20.329 48 1HD PRO 7 1HD PRO 7 0.582 6.623 18.677 49 2HD PRO 7 2HD PRO 7 1.025 8.317 18.740 50 H TYR 8 H TYR 8 4.798 5.621 15.445 51 HA TYR 8 HA TYR 8 3.573 2.970 15.779 52 1HB TYR 8 1HB TYR 8 3.225 4.063 13.579 53 2HB TYR 8 2HB TYR 8 4.908 4.547 13.500 54 HD1 TYR 8 1HD TYR 8 6.526 3.156 12.479 55 HD2 TYR 8 2HD TYR 8 2.674 1.561 13.442 56 HE1 TYR 8 1HE TYR 8 7.065 1.044 11.171 57 HE2 TYR 8 2HE TYR 8 3.227 -0.546 12.131 58 HH TYR 8 HH TYR 8 6.203 -1.451 11.349 59 H VAL 9 H VAL 9 4.836 1.196 16.215 60 HA VAL 9 HA VAL 9 7.719 1.727 16.408 61 HB VAL 9 HB VAL 9 5.833 0.018 18.016 62 1HG1 VAL 9 1HG1 VAL 9 7.786 -0.913 19.194 63 2HG1 VAL 9 2HG1 VAL 9 7.766 -1.386 17.479 64 3HG1 VAL 9 3HG1 VAL 9 8.869 -0.105 18.036 65 1HG2 VAL 9 1HG2 VAL 9 6.446 2.544 18.462 66 2HG2 VAL 9 2HG2 VAL 9 6.350 1.380 19.806 67 3HG2 VAL 9 3HG2 VAL 9 7.935 1.843 19.140 68 H GLN 10 H GLN 10 9.172 0.280 15.456 69 HA GLN 10 HA GLN 10 7.901 -1.503 13.562 70 1HB GLN 10 1HB GLN 10 10.026 -1.471 12.365 71 2HB GLN 10 2HB GLN 10 9.557 0.176 12.737 72 1HG GLN 10 1HG GLN 10 11.681 0.362 13.568 73 2HG GLN 10 2HG GLN 10 11.017 -0.428 14.984 74 1HE2 GLN 10 1HE2 GLN 10 13.526 -0.795 14.848 75 2HE2 GLN 10 2HE2 GLN 10 14.013 -2.336 14.225 76 H THR 11 H THR 11 8.097 -3.734 13.658 77 HA THR 11 HA THR 11 9.893 -4.782 15.746 78 HB THR 11 HB THR 11 7.984 -6.582 15.905 79 HG1 THR 11 1HG THR 11 6.608 -4.228 14.833 80 1HG2 THR 11 1HG2 THR 11 8.067 -3.813 17.006 81 2HG2 THR 11 2HG2 THR 11 6.446 -4.549 17.000 82 3HG2 THR 11 3HG2 THR 11 7.786 -5.355 17.850 83 H THR 12 H THR 12 7.942 -5.829 12.866 84 HA THR 12 HA THR 12 10.234 -6.691 11.469 85 HB THR 12 HB THR 12 10.132 -8.420 13.344 86 HG1 THR 12 1HG THR 12 11.051 -9.307 11.513 87 1HG2 THR 12 1HG2 THR 12 8.347 -9.939 13.516 88 2HG2 THR 12 2HG2 THR 12 7.452 -8.453 13.117 89 3HG2 THR 12 3HG2 THR 12 7.808 -9.644 11.844 90 H LYS 13 H LYS 13 9.619 -7.910 9.443 91 HA LYS 13 HA LYS 13 6.894 -8.007 8.714 92 1HB LYS 13 1HB LYS 13 8.346 -5.475 8.231 93 2HB LYS 13 2HB LYS 13 7.518 -6.129 6.834 94 1HG LYS 13 1HG LYS 13 5.489 -5.545 7.668 95 2HG LYS 13 2HG LYS 13 5.806 -6.377 9.177 96 1HD LYS 13 1HD LYS 13 5.446 -4.012 9.664 97 2HD LYS 13 2HD LYS 13 7.128 -4.389 9.974 98 1HE LYS 13 1HE LYS 13 7.333 -3.663 7.354 99 2HE LYS 13 2HE LYS 13 5.928 -2.712 7.793 100 1HZ LYS 13 1HZ LYS 13 8.635 -2.535 8.818 101 2HZ LYS 13 2HZ LYS 13 7.605 -1.339 8.397 102 3HZ LYS 13 3HZ LYS 13 7.411 -2.121 9.818 103 H SER 14 H SER 14 6.628 -9.183 6.789 104 HA SER 14 HA SER 14 9.035 -9.687 5.274 105 1HB SER 14 1HB SER 14 7.368 -11.847 6.628 106 2HB SER 14 2HB SER 14 8.473 -12.190 5.312 107 HG SER 14 HG SER 14 9.122 -12.169 7.834 108 H TYR 15 H TYR 15 8.571 -10.525 3.094 109 HA TYR 15 HA TYR 15 5.769 -10.047 2.339 110 1HB TYR 15 1HB TYR 15 8.376 -10.015 0.698 111 2HB TYR 15 2HB TYR 15 6.819 -9.422 0.153 112 HD1 TYR 15 1HD TYR 15 5.791 -7.427 1.488 113 HD2 TYR 15 2HD TYR 15 9.916 -8.545 1.679 114 HE1 TYR 15 1HE TYR 15 6.389 -5.105 2.333 115 HE2 TYR 15 2HE TYR 15 10.501 -6.220 2.523 116 HH TYR 15 HH TYR 15 8.190 -3.655 2.480 117 HA PRO 16 HA PRO 16 5.594 -14.156 0.981 118 1HB PRO 16 1HB PRO 16 3.446 -14.029 -0.704 119 2HB PRO 16 2HB PRO 16 3.292 -14.146 1.037 120 1HG PRO 16 1HG PRO 16 2.881 -11.794 -0.705 121 2HG PRO 16 2HG PRO 16 2.335 -12.049 0.940 122 1HD PRO 16 1HD PRO 16 4.542 -10.423 0.098 123 2HD PRO 16 2HD PRO 16 4.066 -10.772 1.749 124 H SER 17 H SER 17 5.756 -11.618 -1.383 125 HA SER 17 HA SER 17 6.237 -13.254 -3.558 126 1HB SER 17 1HB SER 17 5.668 -10.889 -3.806 127 2HB SER 17 2HB SER 17 7.121 -10.400 -2.958 128 HG SER 17 HG SER 17 8.380 -11.373 -4.710 129 H LYS 18 H LYS 18 8.413 -11.799 -1.079 130 HA LYS 18 HA LYS 18 10.593 -13.409 -2.215 131 1HB LYS 18 1HB LYS 18 12.140 -11.749 -1.302 132 2HB LYS 18 2HB LYS 18 11.031 -11.028 -2.449 133 1HG LYS 18 1HG LYS 18 9.803 -9.903 -0.773 134 2HG LYS 18 2HG LYS 18 10.294 -11.019 0.485 135 1HD LYS 18 1HD LYS 18 12.436 -9.380 -0.873 136 2HD LYS 18 2HD LYS 18 11.385 -8.573 0.276 137 1HE LYS 18 1HE LYS 18 12.194 -11.088 1.443 138 2HE LYS 18 2HE LYS 18 13.632 -10.304 0.818 139 1HZ LYS 18 1HZ LYS 18 13.543 -9.053 2.612 140 2HZ LYS 18 2HZ LYS 18 12.209 -8.321 2.021 141 3HZ LYS 18 3HZ LYS 18 12.060 -9.589 3.039 142 H LEU 19 H LEU 19 9.027 -14.956 -0.797 143 HA LEU 19 HA LEU 19 10.017 -14.852 1.960 144 1HB LEU 19 1HB LEU 19 7.626 -14.771 1.802 145 2HB LEU 19 2HB LEU 19 7.591 -16.158 0.731 146 HG LEU 19 HG LEU 19 8.140 -17.666 2.465 147 1HD1 LEU 19 1HD1 LEU 19 8.861 -15.256 4.152 148 2HD1 LEU 19 2HD1 LEU 19 8.749 -16.924 4.763 149 3HD1 LEU 19 3HD1 LEU 19 9.958 -16.510 3.526 150 1HD2 LEU 19 1HD2 LEU 19 6.503 -16.522 4.388 151 2HD2 LEU 19 2HD2 LEU 19 5.981 -15.750 2.870 152 3HD2 LEU 19 3HD2 LEU 19 5.986 -17.525 3.011 153 H ALA 20 H ALA 20 11.271 -15.864 -0.736 154 HA ALA 20 HA ALA 20 12.749 -17.444 -1.227 155 1HB ALA 20 1HB ALA 20 13.907 -18.013 0.610 156 2HB ALA 20 2HB ALA 20 12.509 -17.631 1.642 157 3HB ALA 20 3HB ALA 20 12.692 -19.265 0.961 158 H ARG 21 H ARG 21 9.646 -17.609 -1.404 159 HA ARG 21 HA ARG 21 8.151 -18.959 -2.184 160 1HB ARG 21 1HB ARG 21 10.674 -19.906 -3.381 161 2HB ARG 21 2HB ARG 21 9.486 -21.192 -3.293 162 1HG ARG 21 1HG ARG 21 7.812 -19.737 -4.440 163 2HG ARG 21 2HG ARG 21 8.982 -18.433 -4.509 164 1HD ARG 21 1HD ARG 21 10.422 -20.519 -5.644 165 2HD ARG 21 2HD ARG 21 8.794 -20.892 -6.176 166 HE ARG 21 HE ARG 21 10.420 -18.611 -7.012 167 1HH1 ARG 21 2HH2 ARG 21 7.129 -19.808 -6.665 168 2HH1 ARG 21 1HH2 ARG 21 6.479 -18.742 -7.865 169 1HH2 ARG 21 2HH1 ARG 21 9.563 -17.205 -8.597 170 2HH2 ARG 21 1HH1 ARG 21 7.873 -17.252 -8.972 171 H ASN 22 H ASN 22 7.002 -19.853 -0.465 172 HA ASN 22 HA ASN 22 6.358 -21.259 1.054 173 1HB ASN 22 1HB ASN 22 6.863 -22.852 -1.048 174 2HB ASN 22 2HB ASN 22 8.138 -23.470 -0.016 175 1HD2 ASN 22 1HD2 ASN 22 7.631 -25.140 1.158 176 2HD2 ASN 22 2HD2 ASN 22 6.069 -25.561 1.778 177 H GLU 23 H GLU 23 7.205 -22.833 2.915 178 HA GLU 23 HA GLU 23 10.020 -22.448 3.421 179 1HB GLU 23 1HB GLU 23 8.430 -20.571 4.472 180 2HB GLU 23 2HB GLU 23 8.131 -21.802 5.683 181 1HG GLU 23 1HG GLU 23 10.998 -21.590 5.059 182 2HG GLU 23 2HG GLU 23 10.342 -20.048 5.573 183 H SER 24 H SER 24 9.641 -24.825 2.783 184 HA SER 24 HA SER 24 8.590 -26.296 5.064 185 1HB SER 24 1HB SER 24 8.732 -26.826 2.117 186 2HB SER 24 2HB SER 24 8.928 -28.216 3.166 187 HG SER 24 HG SER 24 6.738 -28.102 2.897 188 H ARG 25 H ARG 25 10.248 -26.729 6.495 189 HA ARG 25 HA ARG 25 12.883 -26.677 5.917 190 1HB ARG 25 1HB ARG 25 11.178 -27.740 8.092 191 2HB ARG 25 2HB ARG 25 12.694 -28.609 7.951 192 1HG ARG 25 1HG ARG 25 13.980 -26.530 8.152 193 2HG ARG 25 2HG ARG 25 12.521 -25.563 8.072 194 1HD ARG 25 1HD ARG 25 12.615 -25.625 10.362 195 2HD ARG 25 2HD ARG 25 11.894 -27.213 10.185 196 HE ARG 25 HE ARG 25 14.625 -27.687 9.909 197 1HH1 ARG 25 2HH2 ARG 25 12.603 -26.186 12.367 198 2HH1 ARG 25 1HH2 ARG 25 13.655 -26.613 13.675 199 1HH2 ARG 25 2HH1 ARG 25 16.013 -28.250 11.635 200 2HH2 ARG 25 1HH1 ARG 25 15.608 -27.794 13.256 201 H GLY 26 H GLY 26 13.781 -27.826 4.200 202 1HA GLY 26 1HA GLY 26 14.191 -30.603 4.430 203 2HA GLY 26 2HA GLY 26 12.902 -30.313 3.279 204 H SER 27 H SER 27 13.409 -29.716 1.190 205 HA SER 27 HA SER 27 15.650 -28.200 0.564 206 1HB SER 27 1HB SER 27 16.555 -30.648 1.161 207 2HB SER 27 2HB SER 27 16.029 -31.008 -0.472 208 HG SER 27 HG SER 27 17.973 -30.238 -0.985 209 H GLY 28 H GLY 28 15.378 -27.374 -1.533 210 1HA GLY 28 1HA GLY 28 13.213 -28.621 -3.119 211 2HA GLY 28 2HA GLY 28 13.513 -26.897 -3.017 212 H SER 29 H SER 29 13.879 -26.590 -5.260 213 HA SER 29 HA SER 29 16.512 -27.403 -6.066 214 1HB SER 29 1HB SER 29 14.039 -28.094 -7.714 215 2HB SER 29 2HB SER 29 15.687 -28.224 -8.299 216 HG SER 29 HG SER 29 15.675 -29.542 -5.976 217 H GLY 30 H GLY 30 17.022 -26.298 -8.318 218 1HA GLY 30 1HA GLY 30 16.893 -23.603 -8.139 219 2HA GLY 30 2HA GLY 30 17.017 -24.475 -9.654 220 H SER 31 H SER 31 15.587 -21.909 -8.996 221 HA SER 31 HA SER 31 12.826 -22.607 -9.094 222 1HB SER 31 1HB SER 31 12.403 -20.285 -8.900 223 2HB SER 31 2HB SER 31 13.875 -20.525 -7.978 224 HG SER 31 HG SER 31 15.102 -19.584 -9.590 225 H LEU 32 H LEU 32 11.370 -21.854 -10.898 226 HA LEU 32 HA LEU 32 12.812 -21.843 -13.458 227 1HB LEU 32 1HB LEU 32 10.622 -23.540 -12.461 228 2HB LEU 32 2HB LEU 32 10.356 -22.869 -14.058 229 HG LEU 32 HG LEU 32 13.002 -24.151 -13.533 230 1HD1 LEU 32 1HD1 LEU 32 11.261 -26.197 -14.461 231 2HD1 LEU 32 2HD1 LEU 32 12.221 -26.145 -12.964 232 3HD1 LEU 32 3HD1 LEU 32 10.556 -25.516 -12.975 233 1HD2 LEU 32 1HD2 LEU 32 12.565 -24.967 -15.891 234 2HD2 LEU 32 2HD2 LEU 32 11.120 -23.929 -15.888 235 3HD2 LEU 32 3HD2 LEU 32 12.735 -23.207 -15.685 236 H PHE 33 H PHE 33 12.848 -19.603 -13.733 237 HA PHE 33 HA PHE 33 10.397 -18.135 -13.345 238 1HB PHE 33 1HB PHE 33 13.289 -17.601 -14.186 239 2HB PHE 33 2HB PHE 33 12.091 -16.339 -14.389 240 HD1 PHE 33 1HD PHE 33 10.833 -15.534 -12.332 241 HD2 PHE 33 2HD PHE 33 14.292 -17.980 -12.094 242 HE1 PHE 33 1HE PHE 33 11.160 -14.838 -9.943 243 HE2 PHE 33 2HE PHE 33 14.619 -17.285 -9.703 244 HZ PHE 33 HZ PHE 33 13.049 -15.723 -8.657 245 H SER 34 H SER 34 8.846 -17.999 -14.889 246 HA SER 34 HA SER 34 9.762 -18.265 -17.646 247 1HB SER 34 1HB SER 34 7.966 -19.888 -16.342 248 2HB SER 34 2HB SER 34 6.876 -18.707 -17.040 249 HG SER 34 HG SER 34 8.835 -19.572 -18.840 250 H PHE 35 H PHE 35 10.042 -16.089 -18.220 251 HA PHE 35 HA PHE 35 8.172 -14.112 -17.365 252 1HB PHE 35 1HB PHE 35 10.812 -14.332 -18.446 253 2HB PHE 35 2HB PHE 35 9.901 -13.507 -19.696 254 HD1 PHE 35 1HD PHE 35 8.909 -11.301 -19.261 255 HD2 PHE 35 2HD PHE 35 11.291 -13.257 -16.343 256 HE1 PHE 35 1HE PHE 35 9.163 -9.137 -18.017 257 HE2 PHE 35 2HE PHE 35 11.545 -11.092 -15.099 258 HZ PHE 35 HZ PHE 35 10.478 -9.057 -15.951 259 H LEU 36 H LEU 36 7.184 -12.569 -19.078 260 HA LEU 36 HA LEU 36 5.744 -12.236 -20.716 261 1HB LEU 36 1HB LEU 36 7.599 -14.217 -21.943 262 2HB LEU 36 2HB LEU 36 6.094 -13.884 -22.776 263 HG LEU 36 HG LEU 36 7.183 -11.362 -22.092 264 1HD1 LEU 36 1HD1 LEU 36 9.310 -12.500 -23.743 265 2HD1 LEU 36 2HD1 LEU 36 9.398 -11.395 -22.351 266 3HD1 LEU 36 3HD1 LEU 36 9.286 -13.152 -22.088 267 1HD2 LEU 36 1HD2 LEU 36 7.544 -12.385 -24.852 268 2HD2 LEU 36 2HD2 LEU 36 5.894 -12.450 -24.187 269 3HD2 LEU 36 3HD2 LEU 36 6.763 -10.898 -24.263 270 H GLY 37 H GLY 37 4.216 -13.007 -18.988 271 1HA GLY 37 1HA GLY 37 2.295 -14.728 -20.068 272 2HA GLY 37 2HA GLY 37 3.263 -15.656 -18.940 273 H LYS 38 H LYS 38 0.376 -14.553 -18.890 274 HA LYS 38 HA LYS 38 -1.034 -13.638 -17.454 275 1HB LYS 38 1HB LYS 38 1.049 -14.912 -15.757 276 2HB LYS 38 2HB LYS 38 -0.051 -13.819 -14.943 277 1HG LYS 38 1HG LYS 38 -1.148 -15.926 -14.830 278 2HG LYS 38 2HG LYS 38 -1.970 -15.091 -16.132 279 1HD LYS 38 1HD LYS 38 0.424 -16.650 -16.984 280 2HD LYS 38 2HD LYS 38 -0.881 -17.622 -16.333 281 1HE LYS 38 1HE LYS 38 -1.951 -15.585 -18.139 282 2HE LYS 38 2HE LYS 38 -0.702 -16.511 -18.947 283 1HZ LYS 38 1HZ LYS 38 -1.851 -18.520 -18.259 284 2HZ LYS 38 2HZ LYS 38 -3.029 -17.639 -17.549 285 3HZ LYS 38 3HZ LYS 38 -2.819 -17.570 -19.167 286 H LYS 39 H LYS 39 -1.145 -11.939 -15.438 287 HA LYS 39 HA LYS 39 0.887 -9.976 -15.425 288 1HB LYS 39 1HB LYS 39 -0.564 -9.803 -17.714 289 2HB LYS 39 2HB LYS 39 -1.535 -8.793 -16.663 290 1HG LYS 39 1HG LYS 39 0.570 -7.530 -16.016 291 2HG LYS 39 2HG LYS 39 1.459 -8.485 -17.186 292 1HD LYS 39 1HD LYS 39 -0.730 -7.564 -18.672 293 2HD LYS 39 2HD LYS 39 -0.370 -6.204 -17.627 294 1HE LYS 39 1HE LYS 39 2.084 -7.396 -18.740 295 2HE LYS 39 2HE LYS 39 0.981 -6.890 -20.004 296 1HZ LYS 39 1HZ LYS 39 1.268 -4.761 -19.473 297 2HZ LYS 39 2HZ LYS 39 1.272 -5.014 -17.860 298 3HZ LYS 39 3HZ LYS 39 2.633 -5.258 -18.728 299 H CYS 40 H CYS 40 0.302 -8.156 -13.970 300 HA CYS 40 HA CYS 40 -1.339 -9.154 -11.867 301 1HB CYS 40 1HB CYS 40 -0.670 -7.053 -10.702 302 2HB CYS 40 2HB CYS 40 0.686 -8.012 -11.264 303 HG CYS 40 HG CYS 40 -0.704 -5.311 -12.563 304 H VAL 41 H VAL 41 -3.380 -8.322 -11.194 305 HA VAL 41 HA VAL 41 -4.780 -6.858 -13.274 306 HB VAL 41 HB VAL 41 -6.771 -7.451 -11.928 307 1HG1 VAL 41 1HG1 VAL 41 -6.532 -9.978 -12.269 308 2HG1 VAL 41 2HG1 VAL 41 -6.264 -8.940 -13.690 309 3HG1 VAL 41 3HG1 VAL 41 -4.875 -9.634 -12.819 310 1HG2 VAL 41 1HG2 VAL 41 -5.573 -7.511 -9.720 311 2HG2 VAL 41 2HG2 VAL 41 -6.630 -8.910 -10.024 312 3HG2 VAL 41 3HG2 VAL 41 -4.867 -9.071 -10.208 313 H THR 42 H THR 42 -6.065 -4.940 -12.789 314 HA THR 42 HA THR 42 -4.891 -3.415 -10.559 315 HB THR 42 HB THR 42 -6.036 -2.533 -13.262 316 HG1 THR 42 1HG THR 42 -3.683 -2.003 -13.460 317 1HG2 THR 42 1HG2 THR 42 -4.498 -0.464 -12.279 318 2HG2 THR 42 2HG2 THR 42 -6.272 -0.520 -12.143 319 3HG2 THR 42 3HG2 THR 42 -5.257 -1.054 -10.781 320 H MET 43 H MET 43 -6.171 -3.365 -8.823 321 HA MET 43 HA MET 43 -8.857 -3.993 -8.920 322 1HB MET 43 1HB MET 43 -6.864 -3.362 -6.977 323 2HB MET 43 2HB MET 43 -8.142 -2.197 -6.694 324 1HG MET 43 1HG MET 43 -9.781 -3.916 -6.308 325 2HG MET 43 2HG MET 43 -8.771 -5.158 -7.021 326 1HE MET 43 1HE MET 43 -6.866 -6.535 -5.535 327 2HE MET 43 2HE MET 43 -6.153 -5.042 -6.191 328 3HE MET 43 3HE MET 43 -5.864 -5.495 -4.495 329 H SER 44 H SER 44 -7.350 -0.738 -8.267 330 HA SER 44 HA SER 44 -9.189 0.520 -9.988 331 1HB SER 44 1HB SER 44 -10.586 0.045 -7.887 332 2HB SER 44 2HB SER 44 -9.536 1.155 -7.029 333 HG SER 44 HG SER 44 -11.138 1.793 -9.359 334 H SER 45 H SER 45 -8.990 3.108 -9.507 335 HA SER 45 HA SER 45 -6.285 3.605 -8.568 336 1HB SER 45 1HB SER 45 -5.755 3.714 -10.813 337 2HB SER 45 2HB SER 45 -7.399 4.077 -11.300 338 HG SER 45 HG SER 45 -5.655 5.959 -9.955 339 H ALA 46 H ALA 46 -6.150 5.426 -7.260 340 HA ALA 46 HA ALA 46 -8.255 7.426 -7.482 341 1HB ALA 46 1HB ALA 46 -7.535 6.108 -4.837 342 2HB ALA 46 2HB ALA 46 -8.810 7.312 -5.139 343 3HB ALA 46 3HB ALA 46 -8.963 5.667 -5.804 344 H VAL 47 H VAL 47 -7.520 9.502 -7.010 345 HA VAL 47 HA VAL 47 -4.674 9.771 -6.857 346 HB VAL 47 HB VAL 47 -6.978 11.719 -6.975 347 1HG1 VAL 47 1HG1 VAL 47 -5.321 12.949 -5.841 348 2HG1 VAL 47 2HG1 VAL 47 -4.003 12.222 -6.791 349 3HG1 VAL 47 3HG1 VAL 47 -5.110 13.389 -7.553 350 1HG2 VAL 47 1HG2 VAL 47 -6.769 11.673 -9.217 351 2HG2 VAL 47 2HG2 VAL 47 -4.991 11.633 -9.149 352 3HG2 VAL 47 3HG2 VAL 47 -5.922 10.129 -8.948 353 H VAL 48 H VAL 48 -3.612 9.506 -4.962 354 HA VAL 48 HA VAL 48 -4.841 10.742 -2.600 355 HB VAL 48 HB VAL 48 -4.625 8.889 -1.345 356 1HG1 VAL 48 1HG1 VAL 48 -5.265 6.891 -2.513 357 2HG1 VAL 48 2HG1 VAL 48 -5.999 8.275 -3.359 358 3HG1 VAL 48 3HG1 VAL 48 -4.554 7.484 -4.033 359 1HG2 VAL 48 1HG2 VAL 48 -2.274 8.016 -3.060 360 2HG2 VAL 48 2HG2 VAL 48 -2.194 8.791 -1.458 361 3HG2 VAL 48 3HG2 VAL 48 -2.879 7.156 -1.623 362 H GLN 49 H GLN 49 -3.222 11.379 -0.931 363 HA GLN 49 HA GLN 49 -0.694 11.995 -2.252 364 1HB GLN 49 1HB GLN 49 -1.754 13.575 0.098 365 2HB GLN 49 2HB GLN 49 -0.637 14.083 -1.152 366 1HG GLN 49 1HG GLN 49 -2.423 14.149 -2.823 367 2HG GLN 49 2HG GLN 49 -3.559 13.402 -1.717 368 1HE2 GLN 49 1HE2 GLN 49 -1.139 15.960 -1.227 369 2HE2 GLN 49 2HE2 GLN 49 -2.227 17.200 -0.698 370 H LEU 50 H LEU 50 1.146 11.142 -1.359 371 HA LEU 50 HA LEU 50 0.857 9.548 1.010 372 1HB LEU 50 1HB LEU 50 2.194 9.071 -1.161 373 2HB LEU 50 2HB LEU 50 3.426 10.090 -0.444 374 HG LEU 50 HG LEU 50 3.894 7.740 -0.039 375 1HD1 LEU 50 1HD1 LEU 50 4.647 9.328 1.633 376 2HD1 LEU 50 2HD1 LEU 50 3.087 9.214 2.483 377 3HD1 LEU 50 3HD1 LEU 50 4.165 7.800 2.409 378 1HD2 LEU 50 1HD2 LEU 50 1.492 7.456 1.734 379 2HD2 LEU 50 2HD2 LEU 50 1.333 7.195 -0.020 380 3HD2 LEU 50 3HD2 LEU 50 2.472 6.208 0.927 381 H TYR 51 H TYR 51 1.151 10.241 3.055 382 HA TYR 51 HA TYR 51 2.879 12.593 3.419 383 1HB TYR 51 1HB TYR 51 0.085 11.819 4.357 384 2HB TYR 51 2HB TYR 51 1.069 12.757 5.462 385 HD1 TYR 51 1HD TYR 51 0.321 12.865 1.775 386 HD2 TYR 51 2HD TYR 51 0.580 15.017 5.465 387 HE1 TYR 51 1HE TYR 51 -0.369 15.004 0.586 388 HE2 TYR 51 2HE TYR 51 -0.111 17.147 4.263 389 HH TYR 51 HH TYR 51 -0.740 17.119 0.762 390 H ALA 52 H ALA 52 3.960 12.721 5.511 391 HA ALA 52 HA ALA 52 4.040 10.132 6.899 392 1HB ALA 52 1HB ALA 52 6.134 11.534 5.439 393 2HB ALA 52 2HB ALA 52 6.575 11.328 7.150 394 3HB ALA 52 3HB ALA 52 6.154 9.909 6.163 395 H ALA 53 H ALA 53 3.783 10.264 9.091 396 HA ALA 53 HA ALA 53 3.036 12.725 10.224 397 1HB ALA 53 1HB ALA 53 3.554 9.921 11.192 398 2HB ALA 53 2HB ALA 53 3.352 11.229 12.382 399 3HB ALA 53 3HB ALA 53 2.050 10.873 11.223 400 H ASP 54 H ASP 54 4.738 14.241 9.861 401 HA ASP 54 HA ASP 54 7.369 13.661 10.607 402 1HB ASP 54 1HB ASP 54 6.146 15.634 9.161 403 2HB ASP 54 2HB ASP 54 6.399 16.500 10.664 404 H ARG 55 H ARG 55 8.528 15.141 12.356 405 HA ARG 55 HA ARG 55 7.575 14.513 14.805 406 1HB ARG 55 1HB ARG 55 9.548 16.534 13.755 407 2HB ARG 55 2HB ARG 55 9.075 16.692 15.436 408 1HG ARG 55 1HG ARG 55 9.804 14.419 15.940 409 2HG ARG 55 2HG ARG 55 10.039 14.055 14.241 410 1HD ARG 55 1HD ARG 55 12.170 14.825 14.355 411 2HD ARG 55 2HD ARG 55 11.587 16.411 14.817 412 HE ARG 55 HE ARG 55 11.409 15.070 17.191 413 1HH1 ARG 55 2HH2 ARG 55 14.006 15.291 14.828 414 2HH1 ARG 55 1HH2 ARG 55 15.263 15.084 16.000 415 1HH2 ARG 55 2HH1 ARG 55 13.067 14.796 18.739 416 2HH2 ARG 55 1HH1 ARG 55 14.726 14.800 18.241 417 H ASN 56 H ASN 56 7.292 16.494 16.591 418 HA ASN 56 HA ASN 56 5.758 17.781 17.452 419 1HB ASN 56 1HB ASN 56 6.617 19.212 14.935 420 2HB ASN 56 2HB ASN 56 5.250 19.884 15.802 421 1HD2 ASN 56 1HD2 ASN 56 8.408 20.210 15.408 422 2HD2 ASN 56 2HD2 ASN 56 8.929 20.765 16.964 423 H CYS 57 H CYS 57 4.678 15.530 15.946 424 HA CYS 57 HA CYS 57 2.919 14.811 14.790 425 1HB CYS 57 1HB CYS 57 0.722 15.632 15.767 426 2HB CYS 57 2HB CYS 57 1.879 14.972 16.906 427 HG CYS 57 HG CYS 57 2.060 16.863 18.312 428 H MET 58 H MET 58 3.698 15.778 12.719 429 HA MET 58 HA MET 58 1.698 17.516 11.671 430 1HB MET 58 1HB MET 58 4.494 18.432 12.301 431 2HB MET 58 2HB MET 58 3.894 18.895 10.721 432 1HG MET 58 1HG MET 58 1.710 19.498 12.316 433 2HG MET 58 2HG MET 58 3.033 19.826 13.417 434 1HE MET 58 1HE MET 58 2.035 21.985 9.508 435 2HE MET 58 2HE MET 58 2.457 20.256 9.459 436 3HE MET 58 3HE MET 58 1.047 20.803 10.398 437 H TRP 59 H TRP 59 1.173 15.974 10.114 438 HA TRP 59 HA TRP 59 2.769 14.224 8.841 439 1HB TRP 59 1HB TRP 59 0.607 15.750 7.397 440 2HB TRP 59 2HB TRP 59 1.142 14.104 7.121 441 HD1 TRP 59 HD TRP 59 -1.186 16.127 9.371 442 HE1 TRP 59 1HE TRP 59 -2.680 14.569 10.888 443 HE3 TRP 59 3HE TRP 59 1.275 11.814 8.276 444 HZ2 TRP 59 2HZ TRP 59 -2.666 11.770 11.448 445 HZ3 TRP 59 3HZ TRP 59 0.471 9.713 9.351 446 HH2 TRP 59 HH TRP 59 -1.427 9.646 10.888 447 H SER 60 H SER 60 3.806 14.250 6.657 448 HA SER 60 HA SER 60 4.581 16.914 5.819 449 1HB SER 60 1HB SER 60 6.423 16.254 7.241 450 2HB SER 60 2HB SER 60 6.478 14.648 6.542 451 HG SER 60 HG SER 60 7.065 15.695 4.471 452 H LYS 61 H LYS 61 3.656 16.905 3.781 453 HA LYS 61 HA LYS 61 3.197 14.636 2.264 454 1HB LYS 61 1HB LYS 61 2.008 16.719 1.914 455 2HB LYS 61 2HB LYS 61 3.484 17.542 1.452 456 1HG LYS 61 1HG LYS 61 2.935 15.061 -0.101 457 2HG LYS 61 2HG LYS 61 1.735 16.320 -0.315 458 1HD LYS 61 1HD LYS 61 4.639 17.121 -0.435 459 2HD LYS 61 2HD LYS 61 3.984 16.233 -1.797 460 1HE LYS 61 1HE LYS 61 1.985 18.065 -1.467 461 2HE LYS 61 2HE LYS 61 3.328 18.999 -0.837 462 1HZ LYS 61 1HZ LYS 61 4.521 18.369 -2.913 463 2HZ LYS 61 2HZ LYS 61 3.112 17.780 -3.494 464 3HZ LYS 61 3HZ LYS 61 3.246 19.366 -3.129 465 H LYS 62 H LYS 62 4.384 13.433 0.830 466 HA LYS 62 HA LYS 62 7.159 14.322 0.460 467 1HB LYS 62 1HB LYS 62 6.038 11.837 1.427 468 2HB LYS 62 2HB LYS 62 6.973 11.547 -0.027 469 1HG LYS 62 1HG LYS 62 8.855 11.679 1.230 470 2HG LYS 62 2HG LYS 62 8.533 13.388 1.447 471 1HD LYS 62 1HD LYS 62 7.804 13.112 3.604 472 2HD LYS 62 2HD LYS 62 6.903 11.658 3.222 473 1HE LYS 62 1HE LYS 62 8.559 10.379 4.096 474 2HE LYS 62 2HE LYS 62 9.698 11.028 2.933 475 1HZ LYS 62 1HZ LYS 62 8.994 12.295 5.490 476 2HZ LYS 62 2HZ LYS 62 10.373 11.475 5.185 477 3HZ LYS 62 3HZ LYS 62 10.071 12.880 4.409 478 H CYS 63 H CYS 63 4.267 12.780 -1.034 479 HA CYS 63 HA CYS 63 4.958 13.978 -3.526 480 1HB CYS 63 1HB CYS 63 5.157 11.968 -4.856 481 2HB CYS 63 2HB CYS 63 6.395 11.966 -3.616 482 HG CYS 63 HG CYS 63 5.821 9.928 -2.560 483 H SER 64 H SER 64 3.169 13.115 -5.223 484 HA SER 64 HA SER 64 0.840 12.038 -4.084 485 1HB SER 64 1HB SER 64 0.131 14.752 -5.018 486 2HB SER 64 2HB SER 64 -0.461 13.859 -3.631 487 HG SER 64 HG SER 64 0.713 15.308 -2.550 488 H GLY 65 H GLY 65 -0.871 11.755 -5.755 489 1HA GLY 65 1HA GLY 65 -0.937 12.724 -8.290 490 2HA GLY 65 2HA GLY 65 0.283 11.468 -8.378 491 H VAL 66 H VAL 66 -0.975 10.065 -9.699 492 HA VAL 66 HA VAL 66 -3.536 9.204 -8.623 493 HB VAL 66 HB VAL 66 -2.263 8.196 -11.144 494 1HG1 VAL 66 1HG1 VAL 66 -4.674 7.688 -9.915 495 2HG1 VAL 66 2HG1 VAL 66 -5.108 8.939 -11.105 496 3HG1 VAL 66 3HG1 VAL 66 -4.320 7.436 -11.640 497 1HG2 VAL 66 1HG2 VAL 66 -1.940 10.413 -11.657 498 2HG2 VAL 66 2HG2 VAL 66 -3.630 10.217 -12.181 499 3HG2 VAL 66 3HG2 VAL 66 -3.268 10.967 -10.608 500 H ALA 67 H ALA 67 -3.679 7.478 -7.294 501 HA ALA 67 HA ALA 67 -1.442 5.575 -7.365 502 1HB ALA 67 1HB ALA 67 -2.246 7.075 -5.263 503 2HB ALA 67 2HB ALA 67 -3.325 5.676 -5.050 504 3HB ALA 67 3HB ALA 67 -1.561 5.442 -5.080 505 H CYS 68 H CYS 68 -1.874 3.365 -7.582 506 HA CYS 68 HA CYS 68 -4.694 2.652 -7.835 507 1HB CYS 68 1HB CYS 68 -4.218 1.322 -9.849 508 2HB CYS 68 2HB CYS 68 -3.933 3.030 -10.113 509 HG CYS 68 HG CYS 68 -1.325 1.966 -8.837 510 H LEU 69 H LEU 69 -5.132 0.488 -7.131 511 HA LEU 69 HA LEU 69 -2.882 -0.728 -5.708 512 1HB LEU 69 1HB LEU 69 -5.053 0.011 -4.564 513 2HB LEU 69 2HB LEU 69 -5.804 -1.361 -5.353 514 HG LEU 69 HG LEU 69 -3.320 -1.931 -3.822 515 1HD1 LEU 69 1HD1 LEU 69 -4.630 -0.241 -2.449 516 2HD1 LEU 69 2HD1 LEU 69 -5.900 -1.481 -2.319 517 3HD1 LEU 69 3HD1 LEU 69 -4.274 -1.801 -1.670 518 1HD2 LEU 69 1HD2 LEU 69 -4.401 -3.986 -3.327 519 2HD2 LEU 69 2HD2 LEU 69 -5.989 -3.352 -3.823 520 3HD2 LEU 69 3HD2 LEU 69 -4.723 -3.633 -5.042 521 H VAL 70 H VAL 70 -1.868 -2.380 -6.699 522 HA VAL 70 HA VAL 70 -3.460 -3.951 -8.603 523 HB VAL 70 HB VAL 70 -0.497 -3.368 -8.458 524 1HG1 VAL 70 1HG1 VAL 70 -1.074 -5.724 -9.187 525 2HG1 VAL 70 2HG1 VAL 70 -1.920 -5.003 -10.577 526 3HG1 VAL 70 3HG1 VAL 70 -0.169 -4.752 -10.372 527 1HG2 VAL 70 1HG2 VAL 70 -2.491 -2.671 -10.635 528 2HG2 VAL 70 2HG2 VAL 70 -2.011 -1.558 -9.332 529 3HG2 VAL 70 3HG2 VAL 70 -0.798 -2.140 -10.496 530 H LYS 71 H LYS 71 -3.498 -6.206 -8.426 531 HA LYS 71 HA LYS 71 -2.032 -7.305 -6.139 532 1HB LYS 71 1HB LYS 71 -4.003 -8.619 -5.514 533 2HB LYS 71 2HB LYS 71 -4.305 -6.898 -5.386 534 1HG LYS 71 1HG LYS 71 -5.720 -6.858 -7.265 535 2HG LYS 71 2HG LYS 71 -4.979 -8.269 -7.991 536 1HD LYS 71 1HD LYS 71 -6.506 -8.498 -5.372 537 2HD LYS 71 2HD LYS 71 -7.356 -8.514 -6.906 538 1HE LYS 71 1HE LYS 71 -6.667 -10.639 -7.402 539 2HE LYS 71 2HE LYS 71 -5.016 -10.319 -6.906 540 1HZ LYS 71 1HZ LYS 71 -5.430 -11.314 -5.003 541 2HZ LYS 71 2HZ LYS 71 -6.685 -10.326 -4.663 542 3HZ LYS 71 3HZ LYS 71 -6.934 -11.698 -5.510 543 H ASP 72 H ASP 72 -0.952 -9.182 -6.575 544 HA ASP 72 HA ASP 72 -1.154 -10.096 -9.291 545 1HB ASP 72 1HB ASP 72 0.673 -11.198 -7.122 546 2HB ASP 72 2HB ASP 72 0.912 -11.268 -8.856 547 H ASN 73 H ASN 73 -2.106 -12.093 -9.854 548 HA ASN 73 HA ASN 73 -3.543 -13.423 -7.799 549 1HB ASN 73 1HB ASN 73 -3.526 -13.313 -10.731 550 2HB ASN 73 2HB ASN 73 -3.615 -14.979 -10.193 551 1HD2 ASN 73 1HD2 ASN 73 -5.665 -13.728 -11.552 552 2HD2 ASN 73 2HD2 ASN 73 -7.051 -13.552 -10.528 553 HA PRO 74 HA PRO 74 -0.328 -16.726 -9.094 554 1HB PRO 74 1HB PRO 74 1.818 -15.978 -10.612 555 2HB PRO 74 2HB PRO 74 0.367 -16.690 -11.288 556 1HG PRO 74 1HG PRO 74 1.252 -13.870 -11.356 557 2HG PRO 74 2HG PRO 74 0.062 -14.671 -12.361 558 1HD PRO 74 1HD PRO 74 -0.458 -12.900 -10.167 559 2HD PRO 74 2HD PRO 74 -1.645 -13.791 -11.097 560 H GLN 75 H GLN 75 1.184 -13.573 -8.720 561 HA GLN 75 HA GLN 75 3.189 -14.668 -7.050 562 1HB GLN 75 1HB GLN 75 2.562 -12.099 -8.287 563 2HB GLN 75 2HB GLN 75 3.047 -11.868 -6.619 564 1HG GLN 75 1HG GLN 75 5.038 -11.815 -8.049 565 2HG GLN 75 2HG GLN 75 5.104 -13.237 -7.028 566 1HE2 GLN 75 1HE2 GLN 75 6.317 -14.519 -8.287 567 2HE2 GLN 75 2HE2 GLN 75 5.852 -15.128 -9.842 568 H ARG 76 H ARG 76 -0.074 -14.284 -6.568 569 HA ARG 76 HA ARG 76 -1.373 -13.773 -4.866 570 1HB ARG 76 1HB ARG 76 0.733 -15.562 -3.554 571 2HB ARG 76 2HB ARG 76 -0.810 -15.196 -2.808 572 1HG ARG 76 1HG ARG 76 -1.992 -16.555 -4.248 573 2HG ARG 76 2HG ARG 76 -0.993 -16.145 -5.628 574 1HD ARG 76 1HD ARG 76 0.523 -17.853 -5.223 575 2HD ARG 76 2HD ARG 76 0.374 -17.724 -3.482 576 HE ARG 76 HE ARG 76 -2.075 -18.712 -4.726 577 1HH1 ARG 76 2HH2 ARG 76 1.104 -19.655 -3.546 578 2HH1 ARG 76 1HH2 ARG 76 0.652 -21.304 -3.268 579 1HH2 ARG 76 2HH1 ARG 76 -2.672 -20.886 -4.359 580 2HH2 ARG 76 1HH1 ARG 76 -1.510 -22.009 -3.733 581 H SER 77 H SER 77 0.420 -11.605 -5.233 582 HA SER 77 HA SER 77 0.627 -10.719 -2.486 583 1HB SER 77 1HB SER 77 2.863 -9.792 -2.810 584 2HB SER 77 2HB SER 77 2.899 -11.510 -3.149 585 HG SER 77 HG SER 77 2.308 -10.290 -5.480 586 H TYR 78 H TYR 78 0.398 -8.392 -2.259 587 HA TYR 78 HA TYR 78 -0.696 -7.152 -4.684 588 1HB TYR 78 1HB TYR 78 -0.887 -6.311 -1.733 589 2HB TYR 78 2HB TYR 78 -1.953 -5.808 -3.030 590 HD1 TYR 78 1HD TYR 78 -2.442 -7.259 -0.219 591 HD2 TYR 78 2HD TYR 78 -2.425 -8.531 -4.304 592 HE1 TYR 78 1HE TYR 78 -4.041 -9.150 0.356 593 HE2 TYR 78 2HE TYR 78 -4.024 -10.418 -3.716 594 HH TYR 78 HH TYR 78 -4.496 -11.517 -0.739 595 H PHE 79 H PHE 79 -0.181 -4.919 -5.161 596 HA PHE 79 HA PHE 79 2.195 -3.931 -3.768 597 1HB PHE 79 1HB PHE 79 1.628 -4.293 -6.764 598 2HB PHE 79 2HB PHE 79 2.883 -3.206 -6.201 599 HD1 PHE 79 1HD PHE 79 2.550 -6.198 -7.658 600 HD2 PHE 79 2HD PHE 79 4.273 -4.579 -4.134 601 HE1 PHE 79 1HE PHE 79 4.169 -8.114 -7.569 602 HE2 PHE 79 2HE PHE 79 5.891 -6.495 -4.044 603 HZ PHE 79 HZ PHE 79 5.821 -8.240 -5.763 604 H LEU 80 H LEU 80 2.121 -1.758 -3.301 605 HA LEU 80 HA LEU 80 -0.040 -0.249 -4.601 606 1HB LEU 80 1HB LEU 80 0.379 -0.848 -1.849 607 2HB LEU 80 2HB LEU 80 0.655 0.868 -2.071 608 HG LEU 80 HG LEU 80 -1.837 -0.557 -3.035 609 1HD1 LEU 80 1HD1 LEU 80 -2.944 -0.102 -1.067 610 2HD1 LEU 80 2HD1 LEU 80 -1.326 -0.540 -0.470 611 3HD1 LEU 80 3HD1 LEU 80 -1.798 1.173 -0.584 612 1HD2 LEU 80 1HD2 LEU 80 -0.788 2.099 -3.414 613 2HD2 LEU 80 2HD2 LEU 80 -2.252 1.348 -4.092 614 3HD2 LEU 80 3HD2 LEU 80 -2.321 2.167 -2.513 615 H ARG 81 H ARG 81 0.836 1.129 -6.048 616 HA ARG 81 HA ARG 81 3.220 2.532 -5.153 617 1HB ARG 81 1HB ARG 81 4.096 2.479 -7.476 618 2HB ARG 81 2HB ARG 81 3.855 0.850 -6.876 619 1HG ARG 81 1HG ARG 81 2.092 0.419 -8.318 620 2HG ARG 81 2HG ARG 81 1.506 2.071 -8.274 621 1HD ARG 81 1HD ARG 81 2.402 1.619 -10.507 622 2HD ARG 81 2HD ARG 81 3.447 2.781 -9.712 623 HE ARG 81 HE ARG 81 5.143 1.120 -9.501 624 1HH1 ARG 81 2HH2 ARG 81 2.192 -0.224 -10.868 625 2HH1 ARG 81 1HH2 ARG 81 2.954 -1.685 -11.402 626 1HH2 ARG 81 2HH1 ARG 81 6.148 -0.808 -10.205 627 2HH2 ARG 81 1HH1 ARG 81 5.218 -2.020 -11.022 628 H ILE 82 H ILE 82 3.410 4.759 -5.970 629 HA ILE 82 HA ILE 82 0.868 5.767 -7.048 630 HB ILE 82 HB ILE 82 2.668 6.811 -4.890 631 1HG1 ILE 82 1HG1 ILE 82 -0.306 6.989 -4.829 632 2HG1 ILE 82 2HG1 ILE 82 0.393 5.385 -4.733 633 1HG2 ILE 82 1HG2 ILE 82 2.575 8.849 -5.818 634 2HG2 ILE 82 2HG2 ILE 82 1.263 8.396 -6.933 635 3HG2 ILE 82 3HG2 ILE 82 0.887 8.851 -5.254 636 1HD1 ILE 82 1HD1 ILE 82 0.587 5.834 -2.502 637 2HD1 ILE 82 2HD1 ILE 82 2.017 6.779 -2.981 638 3HD1 ILE 82 3HD1 ILE 82 0.450 7.592 -2.751 639 H PHE 83 H PHE 83 0.965 7.277 -8.736 640 HA PHE 83 HA PHE 83 3.666 7.649 -9.828 641 1HB PHE 83 1HB PHE 83 1.729 7.993 -11.869 642 2HB PHE 83 2HB PHE 83 2.715 6.563 -11.640 643 HD1 PHE 83 1HD PHE 83 1.713 5.045 -9.562 644 HD2 PHE 83 2HD PHE 83 -0.507 7.563 -12.158 645 HE1 PHE 83 1HE PHE 83 -0.352 3.692 -9.108 646 HE2 PHE 83 2HE PHE 83 -2.572 6.211 -11.704 647 HZ PHE 83 HZ PHE 83 -2.470 4.291 -10.185 648 H ASP 84 H ASP 84 4.135 9.686 -10.852 649 HA ASP 84 HA ASP 84 2.878 11.834 -9.557 650 1HB ASP 84 1HB ASP 84 5.318 11.582 -10.489 651 2HB ASP 84 2HB ASP 84 4.633 12.055 -12.031 652 H ILE 85 H ILE 85 1.874 13.740 -10.789 653 HA ILE 85 HA ILE 85 0.240 12.705 -12.985 654 HB ILE 85 HB ILE 85 -0.577 15.272 -11.974 655 1HG1 ILE 85 1HG1 ILE 85 -1.321 14.094 -9.702 656 2HG1 ILE 85 2HG1 ILE 85 0.172 13.208 -9.943 657 1HG2 ILE 85 1HG2 ILE 85 -1.727 13.042 -13.079 658 2HG2 ILE 85 2HG2 ILE 85 -2.237 12.924 -11.377 659 3HG2 ILE 85 3HG2 ILE 85 -2.604 14.391 -12.316 660 1HD1 ILE 85 1HD1 ILE 85 0.496 16.096 -10.455 661 2HD1 ILE 85 2HD1 ILE 85 -0.045 15.740 -8.797 662 3HD1 ILE 85 3HD1 ILE 85 1.456 15.013 -9.418 663 H LYS 86 H LYS 86 2.930 14.746 -12.229 664 HA LYS 86 HA LYS 86 2.599 16.116 -14.805 665 1HB LYS 86 1HB LYS 86 3.270 17.084 -12.181 666 2HB LYS 86 2HB LYS 86 4.635 17.345 -13.247 667 1HG LYS 86 1HG LYS 86 1.790 18.084 -14.055 668 2HG LYS 86 2HG LYS 86 2.828 19.196 -13.185 669 1HD LYS 86 1HD LYS 86 4.352 19.402 -14.982 670 2HD LYS 86 2HD LYS 86 3.886 17.870 -15.691 671 1HE LYS 86 1HE LYS 86 2.308 18.871 -16.984 672 2HE LYS 86 2HE LYS 86 1.562 19.620 -15.586 673 1HZ LYS 86 1HZ LYS 86 3.454 20.716 -17.430 674 2HZ LYS 86 2HZ LYS 86 2.318 21.470 -16.531 675 3HZ LYS 86 3HZ LYS 86 3.760 21.081 -15.868 676 H ASP 87 H ASP 87 4.486 13.876 -12.858 677 HA ASP 87 HA ASP 87 6.578 13.950 -14.871 678 1HB ASP 87 1HB ASP 87 6.677 13.788 -12.083 679 2HB ASP 87 2HB ASP 87 6.902 12.117 -12.561 680 H GLY 88 H GLY 88 3.734 12.290 -13.854 681 1HA GLY 88 1HA GLY 88 2.842 10.259 -14.267 682 2HA GLY 88 2HA GLY 88 3.608 10.437 -15.833 683 H LYS 89 H LYS 89 5.370 10.203 -12.709 684 HA LYS 89 HA LYS 89 6.244 7.520 -13.517 685 1HB LYS 89 1HB LYS 89 7.943 9.845 -12.584 686 2HB LYS 89 2HB LYS 89 8.502 8.186 -12.551 687 1HG LYS 89 1HG LYS 89 7.304 9.259 -15.113 688 2HG LYS 89 2HG LYS 89 8.936 9.736 -14.683 689 1HD LYS 89 1HD LYS 89 9.646 7.378 -14.556 690 2HD LYS 89 2HD LYS 89 8.002 6.831 -14.816 691 1HE LYS 89 1HE LYS 89 8.614 6.733 -17.022 692 2HE LYS 89 2HE LYS 89 8.320 8.460 -17.009 693 1HZ LYS 89 1HZ LYS 89 10.647 8.780 -16.460 694 2HZ LYS 89 2HZ LYS 89 10.913 7.169 -16.509 695 3HZ LYS 89 3HZ LYS 89 10.484 7.968 -17.867 696 H LEU 90 H LEU 90 7.145 6.249 -11.624 697 HA LEU 90 HA LEU 90 5.258 6.271 -9.555 698 1HB LEU 90 1HB LEU 90 6.023 4.217 -9.409 699 2HB LEU 90 2HB LEU 90 7.313 4.597 -10.532 700 HG LEU 90 HG LEU 90 7.655 5.297 -7.634 701 1HD1 LEU 90 1HD1 LEU 90 8.480 2.575 -8.578 702 2HD1 LEU 90 2HD1 LEU 90 8.172 3.171 -6.929 703 3HD1 LEU 90 3HD1 LEU 90 6.809 2.844 -8.026 704 1HD2 LEU 90 1HD2 LEU 90 9.963 5.126 -8.084 705 2HD2 LEU 90 2HD2 LEU 90 9.687 4.250 -9.609 706 3HD2 LEU 90 3HD2 LEU 90 9.264 5.975 -9.483 707 H LEU 91 H LEU 91 5.185 7.271 -7.591 708 HA LEU 91 HA LEU 91 7.540 8.891 -6.915 709 1HB LEU 91 1HB LEU 91 4.614 9.393 -6.355 710 2HB LEU 91 2HB LEU 91 5.935 10.368 -5.741 711 HG LEU 91 HG LEU 91 5.265 9.982 -8.673 712 1HD1 LEU 91 1HD1 LEU 91 4.582 12.391 -8.545 713 2HD1 LEU 91 2HD1 LEU 91 3.520 11.262 -7.670 714 3HD1 LEU 91 3HD1 LEU 91 4.684 12.264 -6.772 715 1HD2 LEU 91 1HD2 LEU 91 6.887 11.759 -9.092 716 2HD2 LEU 91 2HD2 LEU 91 7.283 11.824 -7.358 717 3HD2 LEU 91 3HD2 LEU 91 7.655 10.362 -8.303 718 H TRP 92 H TRP 92 5.389 6.299 -6.008 719 HA TRP 92 HA TRP 92 6.969 5.857 -3.640 720 1HB TRP 92 1HB TRP 92 5.410 7.323 -2.636 721 2HB TRP 92 2HB TRP 92 4.053 6.594 -3.473 722 HD1 TRP 92 HD TRP 92 6.499 5.800 -0.568 723 HE1 TRP 92 1HE TRP 92 5.464 4.010 1.071 724 HE3 TRP 92 3HE TRP 92 2.385 4.820 -3.393 725 HZ2 TRP 92 2HZ TRP 92 3.095 2.420 1.004 726 HZ3 TRP 92 3HZ TRP 92 0.761 3.136 -2.533 727 HH2 TRP 92 HH TRP 92 1.064 1.952 -0.415 728 H GLU 93 H GLU 93 6.804 3.624 -2.969 729 HA GLU 93 HA GLU 93 4.949 1.980 -4.416 730 1HB GLU 93 1HB GLU 93 6.792 2.052 -6.010 731 2HB GLU 93 2HB GLU 93 7.965 1.710 -4.754 732 1HG GLU 93 1HG GLU 93 6.483 -0.471 -4.367 733 2HG GLU 93 2HG GLU 93 5.927 -0.151 -5.997 734 H GLN 94 H GLN 94 4.220 0.362 -3.080 735 HA GLN 94 HA GLN 94 5.953 -0.291 -0.827 736 1HB GLN 94 1HB GLN 94 4.233 0.988 0.175 737 2HB GLN 94 2HB GLN 94 2.994 0.339 -0.880 738 1HG GLN 94 1HG GLN 94 2.803 -0.626 1.393 739 2HG GLN 94 2HG GLN 94 3.166 -1.874 0.218 740 1HE2 GLN 94 1HE2 GLN 94 4.109 -3.271 1.619 741 2HE2 GLN 94 2HE2 GLN 94 5.635 -3.007 2.396 742 H GLU 95 H GLU 95 6.204 -2.486 -0.364 743 HA GLU 95 HA GLU 95 4.935 -4.240 -2.291 744 1HB GLU 95 1HB GLU 95 7.381 -4.525 -0.508 745 2HB GLU 95 2HB GLU 95 6.697 -5.897 -1.356 746 1HG GLU 95 1HG GLU 95 7.011 -4.777 -3.529 747 2HG GLU 95 2HG GLU 95 7.543 -3.307 -2.737 748 H LEU 96 H LEU 96 2.832 -4.074 -1.107 749 HA LEU 96 HA LEU 96 2.274 -4.569 1.437 750 1HB LEU 96 1HB LEU 96 0.880 -5.843 -0.922 751 2HB LEU 96 2HB LEU 96 0.205 -5.657 0.685 752 HG LEU 96 HG LEU 96 1.046 -3.349 -1.090 753 1HD1 LEU 96 1HD1 LEU 96 -0.755 -4.300 -2.238 754 2HD1 LEU 96 2HD1 LEU 96 -1.613 -4.724 -0.738 755 3HD1 LEU 96 3HD1 LEU 96 -1.496 -3.022 -1.246 756 1HD2 LEU 96 1HD2 LEU 96 -0.905 -2.748 0.963 757 2HD2 LEU 96 2HD2 LEU 96 0.578 -3.435 1.668 758 3HD2 LEU 96 3HD2 LEU 96 0.673 -1.993 0.629 759 H TYR 97 H TYR 97 1.999 -6.353 2.860 760 HA TYR 97 HA TYR 97 3.375 -8.791 1.949 761 1HB TYR 97 1HB TYR 97 3.785 -8.764 4.632 762 2HB TYR 97 2HB TYR 97 4.849 -7.867 3.568 763 HD1 TYR 97 1HD TYR 97 1.838 -7.516 5.740 764 HD2 TYR 97 2HD TYR 97 5.061 -5.517 3.758 765 HE1 TYR 97 1HE TYR 97 1.276 -5.367 6.977 766 HE2 TYR 97 2HE TYR 97 4.488 -3.375 5.002 767 HH TYR 97 HH TYR 97 1.768 -2.705 6.273 768 H ASN 98 H ASN 98 2.743 -10.780 3.186 769 HA ASN 98 HA ASN 98 0.069 -11.185 3.070 770 1HB ASN 98 1HB ASN 98 2.255 -12.766 3.550 771 2HB ASN 98 2HB ASN 98 1.581 -12.731 5.166 772 1HD2 ASN 98 1HD2 ASN 98 1.179 -13.752 1.884 773 2HD2 ASN 98 2HD2 ASN 98 -0.195 -14.785 2.096 774 H ASN 99 H ASN 99 -1.620 -11.331 4.735 775 HA ASN 99 HA ASN 99 -2.701 -10.772 6.531 776 1HB ASN 99 1HB ASN 99 -0.305 -11.755 7.559 777 2HB ASN 99 2HB ASN 99 -0.372 -10.167 8.298 778 1HD2 ASN 99 1HD2 ASN 99 -0.793 -10.799 10.341 779 2HD2 ASN 99 2HD2 ASN 99 -2.257 -11.561 10.865 780 H PHE 100 H PHE 100 -2.322 -8.721 4.729 781 HA PHE 100 HA PHE 100 -1.175 -6.443 6.085 782 1HB PHE 100 1HB PHE 100 -0.999 -6.985 3.579 783 2HB PHE 100 2HB PHE 100 -2.734 -6.777 3.451 784 HD1 PHE 100 1HD PHE 100 0.250 -4.894 4.683 785 HD2 PHE 100 2HD PHE 100 -3.515 -4.732 2.731 786 HE1 PHE 100 1HE PHE 100 0.576 -2.442 4.258 787 HE2 PHE 100 2HE PHE 100 -3.189 -2.280 2.306 788 HZ PHE 100 HZ PHE 100 -1.148 -1.164 3.075 789 H VAL 101 H VAL 101 -2.310 -4.686 6.935 790 HA VAL 101 HA VAL 101 -5.236 -4.942 6.880 791 HB VAL 101 HB VAL 101 -4.436 -5.696 9.020 792 1HG1 VAL 101 1HG1 VAL 101 -3.005 -4.455 10.465 793 2HG1 VAL 101 2HG1 VAL 101 -2.222 -4.469 8.866 794 3HG1 VAL 101 3HG1 VAL 101 -3.083 -3.014 9.422 795 1HG2 VAL 101 1HG2 VAL 101 -5.549 -4.032 10.508 796 2HG2 VAL 101 2HG2 VAL 101 -5.606 -2.897 9.138 797 3HG2 VAL 101 3HG2 VAL 101 -6.500 -4.434 9.057 798 H TYR 102 H TYR 102 -6.392 -2.868 7.110 799 HA TYR 102 HA TYR 102 -4.708 -0.622 6.224 800 1HB TYR 102 1HB TYR 102 -6.671 -2.003 4.825 801 2HB TYR 102 2HB TYR 102 -7.673 -0.823 5.646 802 HD1 TYR 102 1HD TYR 102 -4.217 -0.345 4.304 803 HD2 TYR 102 2HD TYR 102 -8.373 0.585 3.896 804 HE1 TYR 102 1HE TYR 102 -3.664 1.375 2.515 805 HE2 TYR 102 2HE TYR 102 -7.807 2.301 2.108 806 HH TYR 102 HH TYR 102 -6.230 3.354 1.064 807 H ASN 103 H ASN 103 -4.557 0.884 7.810 808 HA ASN 103 HA ASN 103 -6.570 0.949 9.830 809 1HB ASN 103 1HB ASN 103 -3.883 2.231 9.355 810 2HB ASN 103 2HB ASN 103 -4.981 3.090 10.418 811 1HD2 ASN 103 1HD2 ASN 103 -3.162 0.164 9.879 812 2HD2 ASN 103 2HD2 ASN 103 -3.222 -0.470 11.489 813 H SER 104 H SER 104 -8.134 2.631 10.088 814 HA SER 104 HA SER 104 -7.901 4.984 8.490 815 1HB SER 104 1HB SER 104 -10.359 3.228 8.101 816 2HB SER 104 2HB SER 104 -9.984 4.722 7.265 817 HG SER 104 HG SER 104 -8.894 2.114 6.901 818 HA PRO 105 HA PRO 105 -9.903 5.720 12.423 819 1HB PRO 105 1HB PRO 105 -8.734 8.137 12.925 820 2HB PRO 105 2HB PRO 105 -8.048 6.614 13.451 821 1HG PRO 105 1HG PRO 105 -7.190 8.362 11.227 822 2HG PRO 105 2HG PRO 105 -6.294 7.088 12.030 823 1HD PRO 105 1HD PRO 105 -7.553 6.941 9.458 824 2HD PRO 105 2HD PRO 105 -6.757 5.634 10.312 825 H ARG 106 H ARG 106 -9.866 7.418 9.484 826 HA ARG 106 HA ARG 106 -12.420 8.541 10.280 827 1HB ARG 106 1HB ARG 106 -10.031 10.036 9.662 828 2HB ARG 106 2HB ARG 106 -11.154 10.287 8.341 829 1HG ARG 106 1HG ARG 106 -11.935 11.941 9.757 830 2HG ARG 106 2HG ARG 106 -12.906 10.615 10.363 831 1HD ARG 106 1HD ARG 106 -10.181 10.882 11.582 832 2HD ARG 106 2HD ARG 106 -11.306 12.173 11.954 833 HE ARG 106 HE ARG 106 -11.434 9.442 12.928 834 1HH1 ARG 106 2HH2 ARG 106 -13.433 12.199 12.046 835 2HH1 ARG 106 1HH2 ARG 106 -14.749 11.736 13.072 836 1HH2 ARG 106 2HH1 ARG 106 -13.170 8.830 14.283 837 2HH2 ARG 106 1HH1 ARG 106 -14.598 9.807 14.353 838 H GLY 107 H GLY 107 -13.921 8.877 8.437 839 1HA GLY 107 1HA GLY 107 -13.587 6.861 6.411 840 2HA GLY 107 2HA GLY 107 -14.958 7.924 6.654 841 H TYR 108 H TYR 108 -11.471 8.057 5.631 842 HA TYR 108 HA TYR 108 -11.775 8.972 3.133 843 1HB TYR 108 1HB TYR 108 -13.002 10.940 3.691 844 2HB TYR 108 2HB TYR 108 -12.283 11.044 5.285 845 HD1 TYR 108 1HD TYR 108 -10.115 12.158 5.622 846 HD2 TYR 108 2HD TYR 108 -11.929 11.964 1.752 847 HE1 TYR 108 1HE TYR 108 -8.543 13.972 4.786 848 HE2 TYR 108 2HE TYR 108 -10.350 13.780 0.929 849 HH TYR 108 HH TYR 108 -7.859 15.113 3.082 850 H PHE 109 H PHE 109 -10.103 9.123 6.231 851 HA PHE 109 HA PHE 109 -7.589 9.515 4.764 852 1HB PHE 109 1HB PHE 109 -8.583 11.157 6.659 853 2HB PHE 109 2HB PHE 109 -8.023 9.913 7.760 854 HD1 PHE 109 1HD PHE 109 -7.033 12.602 5.527 855 HD2 PHE 109 2HD PHE 109 -5.613 9.433 7.966 856 HE1 PHE 109 1HE PHE 109 -4.728 13.596 5.477 857 HE2 PHE 109 2HE PHE 109 -3.309 10.427 7.915 858 HZ PHE 109 HZ PHE 109 -2.894 12.496 6.673 859 H HIS 110 H HIS 110 -6.486 7.629 4.544 860 HA HIS 110 HA HIS 110 -6.821 5.664 6.687 861 1HB HIS 110 1HB HIS 110 -5.823 5.113 3.888 862 2HB HIS 110 2HB HIS 110 -6.355 3.956 5.092 863 HD2 HIS 110 2HD HIS 110 -9.162 6.117 5.564 864 HE1 HIS 110 1HE HIS 110 -10.134 4.319 1.830 865 HE2 HIS 110 2HE HIS 110 -11.016 5.616 3.888 866 H THR 111 H THR 111 -5.011 4.832 7.749 867 HA THR 111 HA THR 111 -2.499 6.227 7.119 868 HB THR 111 HB THR 111 -2.036 5.516 9.587 869 HG1 THR 111 1HG THR 111 -4.030 4.916 10.670 870 1HG2 THR 111 1HG2 THR 111 -3.320 7.783 8.578 871 2HG2 THR 111 2HG2 THR 111 -4.497 7.166 9.762 872 3HG2 THR 111 3HG2 THR 111 -2.839 7.559 10.277 873 H PHE 112 H PHE 112 -0.528 5.096 7.018 874 HA PHE 112 HA PHE 112 -0.888 2.197 6.726 875 1HB PHE 112 1HB PHE 112 -0.565 3.448 4.558 876 2HB PHE 112 2HB PHE 112 0.863 4.226 5.211 877 HD1 PHE 112 1HD PHE 112 -0.495 1.153 3.795 878 HD2 PHE 112 2HD PHE 112 2.948 2.974 5.480 879 HE1 PHE 112 1HE PHE 112 0.928 -0.715 2.907 880 HE2 PHE 112 2HE PHE 112 4.370 1.106 4.592 881 HZ PHE 112 HZ PHE 112 3.343 -0.717 3.316 882 H ALA 113 H ALA 113 1.420 1.079 6.755 883 HA ALA 113 HA ALA 113 2.952 2.336 8.928 884 1HB ALA 113 1HB ALA 113 2.919 0.388 10.113 885 2HB ALA 113 2HB ALA 113 1.442 0.077 9.168 886 3HB ALA 113 3HB ALA 113 2.995 -0.623 8.650 887 H GLY 114 H GLY 114 4.785 3.130 8.004 888 1HA GLY 114 1HA GLY 114 5.889 1.970 5.624 889 2HA GLY 114 2HA GLY 114 6.527 3.304 6.564 890 H ASP 115 H ASP 115 8.505 1.796 5.762 891 HA ASP 115 HA ASP 115 9.097 -0.574 6.800 892 1HB ASP 115 1HB ASP 115 11.160 1.643 6.975 893 2HB ASP 115 2HB ASP 115 11.399 -0.026 6.498 894 H THR 116 H THR 116 10.082 2.588 8.348 895 HA THR 116 HA THR 116 9.525 1.423 10.970 896 HB THR 116 HB THR 116 11.758 2.054 11.780 897 HG1 THR 116 1HG THR 116 12.693 3.654 10.576 898 1HG2 THR 116 1HG2 THR 116 11.504 -0.120 10.297 899 2HG2 THR 116 2HG2 THR 116 12.349 0.836 9.056 900 3HG2 THR 116 3HG2 THR 116 13.140 0.503 10.616 901 H CYS 117 H CYS 117 8.560 3.597 8.890 902 HA CYS 117 HA CYS 117 8.356 5.665 10.953 903 1HB CYS 117 1HB CYS 117 8.931 6.025 8.006 904 2HB CYS 117 2HB CYS 117 8.229 7.308 8.971 905 HG CYS 117 HG CYS 117 10.124 6.959 10.943 906 H GLN 118 H GLN 118 6.269 6.789 10.947 907 HA GLN 118 HA GLN 118 4.209 5.092 9.865 908 1HB GLN 118 1HB GLN 118 4.356 6.112 12.293 909 2HB GLN 118 2HB GLN 118 3.712 7.561 11.546 910 1HG GLN 118 1HG GLN 118 1.952 5.818 10.493 911 2HG GLN 118 2HG GLN 118 2.410 4.861 11.888 912 1HE2 GLN 118 1HE2 GLN 118 0.211 5.124 12.548 913 2HE2 GLN 118 2HE2 GLN 118 -0.304 6.545 13.394 914 H VAL 119 H VAL 119 3.113 5.558 8.004 915 HA VAL 119 HA VAL 119 3.178 8.354 7.106 916 HB VAL 119 HB VAL 119 3.265 7.463 4.801 917 1HG1 VAL 119 1HG1 VAL 119 5.655 6.379 6.281 918 2HG1 VAL 119 2HG1 VAL 119 5.586 7.279 4.746 919 3HG1 VAL 119 3HG1 VAL 119 5.301 8.124 6.288 920 1HG2 VAL 119 1HG2 VAL 119 2.942 5.301 4.366 921 2HG2 VAL 119 2HG2 VAL 119 4.380 4.876 5.325 922 3HG2 VAL 119 3HG2 VAL 119 2.785 4.976 6.109 923 H ALA 120 H ALA 120 1.285 9.063 5.914 924 HA ALA 120 HA ALA 120 -1.022 7.281 6.285 925 1HB ALA 120 1HB ALA 120 -1.701 8.766 7.851 926 2HB ALA 120 2HB ALA 120 -0.483 9.968 7.363 927 3HB ALA 120 3HB ALA 120 -2.027 9.858 6.484 928 H LEU 121 H LEU 121 -2.908 7.981 4.826 929 HA LEU 121 HA LEU 121 -1.919 9.257 2.389 930 1HB LEU 121 1HB LEU 121 -2.978 7.523 1.028 931 2HB LEU 121 2HB LEU 121 -1.630 6.926 1.976 932 HG LEU 121 HG LEU 121 -4.247 6.601 3.293 933 1HD1 LEU 121 1HD1 LEU 121 -5.352 5.290 1.832 934 2HD1 LEU 121 2HD1 LEU 121 -4.419 6.204 0.623 935 3HD1 LEU 121 3HD1 LEU 121 -3.860 4.598 1.149 936 1HD2 LEU 121 1HD2 LEU 121 -1.666 5.477 3.402 937 2HD2 LEU 121 2HD2 LEU 121 -3.094 5.045 4.372 938 3HD2 LEU 121 3HD2 LEU 121 -2.754 4.179 2.855 939 H ASN 122 H ASN 122 -3.407 10.599 1.399 940 HA ASN 122 HA ASN 122 -6.087 10.507 2.531 941 1HB ASN 122 1HB ASN 122 -6.079 13.063 2.370 942 2HB ASN 122 2HB ASN 122 -5.026 12.410 3.610 943 1HD2 ASN 122 1HD2 ASN 122 -2.955 12.920 3.616 944 2HD2 ASN 122 2HD2 ASN 122 -2.089 13.735 2.358 945 H PHE 123 H PHE 123 -7.616 10.400 0.869 946 HA PHE 123 HA PHE 123 -6.692 10.639 -1.835 947 1HB PHE 123 1HB PHE 123 -9.504 10.248 -0.653 948 2HB PHE 123 2HB PHE 123 -9.014 9.827 -2.281 949 HD1 PHE 123 1HD PHE 123 -7.813 7.792 -2.729 950 HD2 PHE 123 2HD PHE 123 -8.755 8.888 1.260 951 HE1 PHE 123 1HE PHE 123 -7.231 5.475 -1.955 952 HE2 PHE 123 2HE PHE 123 -8.172 6.573 2.035 953 HZ PHE 123 HZ PHE 123 -7.417 4.894 0.417 954 H ALA 124 H ALA 124 -7.973 11.910 -3.487 955 HA ALA 124 HA ALA 124 -8.292 14.598 -2.493 956 1HB ALA 124 1HB ALA 124 -8.093 15.232 -4.731 957 2HB ALA 124 2HB ALA 124 -7.140 13.730 -4.693 958 3HB ALA 124 3HB ALA 124 -8.801 13.713 -5.332 959 H ASN 125 H ASN 125 -10.266 11.815 -3.404 960 HA ASN 125 HA ASN 125 -12.605 13.532 -3.102 961 1HB ASN 125 1HB ASN 125 -11.919 11.819 -5.259 962 2HB ASN 125 2HB ASN 125 -13.124 10.917 -4.363 963 1HD2 ASN 125 1HD2 ASN 125 -12.410 13.866 -6.097 964 2HD2 ASN 125 2HD2 ASN 125 -14.037 14.384 -6.387 965 H GLU 126 H GLU 126 -14.437 12.508 -1.901 966 HA GLU 126 HA GLU 126 -13.475 10.863 0.192 967 1HB GLU 126 1HB GLU 126 -15.444 12.746 0.006 968 2HB GLU 126 2HB GLU 126 -16.417 11.294 -0.129 969 1HG GLU 126 1HG GLU 126 -16.148 10.793 2.075 970 2HG GLU 126 2HG GLU 126 -14.412 11.002 1.990 971 H GLU 127 H GLU 127 -15.901 10.481 -2.482 972 HA GLU 127 HA GLU 127 -16.686 7.943 -1.883 973 1HB GLU 127 1HB GLU 127 -16.450 9.456 -4.501 974 2HB GLU 127 2HB GLU 127 -17.051 7.810 -4.476 975 1HG GLU 127 1HG GLU 127 -18.749 8.551 -2.708 976 2HG GLU 127 2HG GLU 127 -18.223 10.200 -2.984 977 H GLU 128 H GLU 128 -13.949 9.023 -4.008 978 HA GLU 128 HA GLU 128 -13.151 6.542 -4.820 979 1HB GLU 128 1HB GLU 128 -12.041 9.249 -4.739 980 2HB GLU 128 2HB GLU 128 -10.781 8.054 -4.507 981 1HG GLU 128 1HG GLU 128 -12.016 6.835 -6.553 982 2HG GLU 128 2HG GLU 128 -12.609 8.451 -6.879 983 H ALA 129 H ALA 129 -12.740 8.171 -1.700 984 HA ALA 129 HA ALA 129 -10.687 6.370 -0.810 985 1HB ALA 129 1HB ALA 129 -11.143 8.850 -0.134 986 2HB ALA 129 2HB ALA 129 -12.376 8.159 0.947 987 3HB ALA 129 3HB ALA 129 -10.668 7.692 1.132 988 H LYS 130 H LYS 130 -14.247 6.756 -0.525 989 HA LYS 130 HA LYS 130 -14.567 4.760 1.435 990 1HB LYS 130 1HB LYS 130 -16.169 6.640 0.763 991 2HB LYS 130 2HB LYS 130 -16.635 5.631 -0.592 992 1HG LYS 130 1HG LYS 130 -16.642 3.959 1.751 993 2HG LYS 130 2HG LYS 130 -17.481 5.440 2.170 994 1HD LYS 130 1HD LYS 130 -18.504 4.901 -0.362 995 2HD LYS 130 2HD LYS 130 -18.277 3.288 0.284 996 1HE LYS 130 1HE LYS 130 -19.404 4.741 2.433 997 2HE LYS 130 2HE LYS 130 -20.268 5.320 1.023 998 1HZ LYS 130 1HZ LYS 130 -21.428 3.467 1.206 999 2HZ LYS 130 2HZ LYS 130 -20.127 2.645 0.660 1000 3HZ LYS 130 3HZ LYS 130 -20.390 2.783 2.265 1001 H LYS 131 H LYS 131 -14.619 4.760 -2.171 1002 HA LYS 131 HA LYS 131 -15.329 2.022 -2.340 1003 1HB LYS 131 1HB LYS 131 -14.918 2.279 -4.702 1004 2HB LYS 131 2HB LYS 131 -15.785 3.682 -4.111 1005 1HG LYS 131 1HG LYS 131 -14.130 4.767 -5.320 1006 2HG LYS 131 2HG LYS 131 -13.312 4.664 -3.774 1007 1HD LYS 131 1HD LYS 131 -12.094 2.654 -4.476 1008 2HD LYS 131 2HD LYS 131 -13.025 2.551 -5.958 1009 1HE LYS 131 1HE LYS 131 -12.063 4.663 -6.778 1010 2HE LYS 131 2HE LYS 131 -11.250 4.934 -5.249 1011 1HZ LYS 131 1HZ LYS 131 -9.589 3.899 -6.280 1012 2HZ LYS 131 2HZ LYS 131 -10.370 2.517 -5.900 1013 3HZ LYS 131 3HZ LYS 131 -10.541 3.168 -7.387 1014 H PHE 132 H PHE 132 -12.341 3.811 -1.806 1015 HA PHE 132 HA PHE 132 -10.543 1.885 -2.723 1016 1HB PHE 132 1HB PHE 132 -10.533 4.438 -1.586 1017 2HB PHE 132 2HB PHE 132 -9.918 3.482 -0.251 1018 HD1 PHE 132 1HD PHE 132 -7.660 2.916 -0.169 1019 HD2 PHE 132 2HD PHE 132 -9.336 4.161 -3.863 1020 HE1 PHE 132 1HE PHE 132 -5.369 2.958 -1.194 1021 HE2 PHE 132 2HE PHE 132 -7.045 4.204 -4.888 1022 HZ PHE 132 HZ PHE 132 -5.089 3.601 -3.542 1023 H ARG 133 H ARG 133 -11.667 2.587 0.669 1024 HA ARG 133 HA ARG 133 -10.356 0.423 1.757 1025 1HB ARG 133 1HB ARG 133 -11.633 2.531 2.819 1026 2HB ARG 133 2HB ARG 133 -12.970 1.404 2.930 1027 1HG ARG 133 1HG ARG 133 -11.239 -0.223 4.044 1028 2HG ARG 133 2HG ARG 133 -10.233 1.199 4.239 1029 1HD ARG 133 1HD ARG 133 -11.417 1.783 6.085 1030 2HD ARG 133 2HD ARG 133 -12.865 1.939 5.110 1031 HE ARG 133 HE ARG 133 -13.586 -0.171 5.854 1032 1HH1 ARG 133 2HH2 ARG 133 -10.193 0.276 6.673 1033 2HH1 ARG 133 1HH2 ARG 133 -10.115 -1.139 7.669 1034 1HH2 ARG 133 2HH1 ARG 133 -13.483 -2.039 7.168 1035 2HH2 ARG 133 1HH1 ARG 133 -11.999 -2.464 7.952 1036 H LYS 134 H LYS 134 -13.568 0.785 0.224 1037 HA LYS 134 HA LYS 134 -14.685 -1.616 1.121 1038 1HB LYS 134 1HB LYS 134 -15.462 0.563 -0.450 1039 2HB LYS 134 2HB LYS 134 -15.559 -0.807 -1.538 1040 1HG LYS 134 1HG LYS 134 -17.602 -1.158 -0.572 1041 2HG LYS 134 2HG LYS 134 -16.681 -1.903 0.720 1042 1HD LYS 134 1HD LYS 134 -16.501 0.597 1.633 1043 2HD LYS 134 2HD LYS 134 -17.900 0.866 0.614 1044 1HE LYS 134 1HE LYS 134 -19.294 -0.409 1.945 1045 2HE LYS 134 2HE LYS 134 -18.048 -1.585 2.313 1046 1HZ LYS 134 1HZ LYS 134 -18.632 0.923 3.634 1047 2HZ LYS 134 2HZ LYS 134 -18.201 -0.516 4.276 1048 3HZ LYS 134 3HZ LYS 134 -17.069 0.448 3.597 1049 H ALA 135 H ALA 135 -12.382 -0.817 -1.477 1050 HA ALA 135 HA ALA 135 -12.623 -3.366 -2.740 1051 1HB ALA 135 1HB ALA 135 -10.747 -0.997 -2.948 1052 2HB ALA 135 2HB ALA 135 -10.452 -2.500 -3.852 1053 3HB ALA 135 3HB ALA 135 -11.947 -1.574 -4.127 1054 H VAL 136 H VAL 136 -10.134 -1.755 -0.636 1055 HA VAL 136 HA VAL 136 -8.411 -3.888 -0.450 1056 HB VAL 136 HB VAL 136 -9.106 -1.550 1.285 1057 1HG1 VAL 136 1HG1 VAL 136 -8.587 -3.395 2.853 1058 2HG1 VAL 136 2HG1 VAL 136 -7.034 -3.646 2.020 1059 3HG1 VAL 136 3HG1 VAL 136 -7.347 -2.117 2.875 1060 1HG2 VAL 136 1HG2 VAL 136 -7.492 -1.845 -0.904 1061 2HG2 VAL 136 2HG2 VAL 136 -7.308 -0.576 0.331 1062 3HG2 VAL 136 3HG2 VAL 136 -6.326 -2.058 0.424 1063 H THR 137 H THR 137 -11.052 -2.991 1.888 1064 HA THR 137 HA THR 137 -10.837 -5.196 3.515 1065 HB THR 137 HB THR 137 -13.205 -4.617 4.102 1066 HG1 THR 137 1HG THR 137 -12.935 -2.713 1.910 1067 1HG2 THR 137 1HG2 THR 137 -12.140 -2.878 5.173 1068 2HG2 THR 137 2HG2 THR 137 -11.067 -2.575 3.786 1069 3HG2 THR 137 3HG2 THR 137 -12.710 -1.892 3.806 1070 H ASP 138 H ASP 138 -12.825 -4.852 0.510 1071 HA ASP 138 HA ASP 138 -14.032 -7.274 0.620 1072 1HB ASP 138 1HB ASP 138 -13.342 -5.291 -1.445 1073 2HB ASP 138 2HB ASP 138 -13.378 -6.914 -2.104 1074 H LEU 139 H LEU 139 -10.747 -6.343 -0.550 1075 HA LEU 139 HA LEU 139 -10.117 -8.882 -1.623 1076 1HB LEU 139 1HB LEU 139 -9.008 -6.947 -2.438 1077 2HB LEU 139 2HB LEU 139 -8.485 -6.476 -0.833 1078 HG LEU 139 HG LEU 139 -7.553 -9.045 -2.120 1079 1HD1 LEU 139 1HD1 LEU 139 -7.051 -6.533 -3.186 1080 2HD1 LEU 139 2HD1 LEU 139 -5.613 -6.872 -2.192 1081 3HD1 LEU 139 3HD1 LEU 139 -6.107 -8.015 -3.465 1082 1HD2 LEU 139 1HD2 LEU 139 -5.654 -7.773 -0.386 1083 2HD2 LEU 139 2HD2 LEU 139 -7.222 -7.905 0.448 1084 3HD2 LEU 139 3HD2 LEU 139 -6.446 -9.359 -0.226 1085 H LEU 140 H LEU 140 -9.419 -7.227 1.519 1086 HA LEU 140 HA LEU 140 -7.899 -9.299 2.591 1087 1HB LEU 140 1HB LEU 140 -9.259 -6.869 3.538 1088 2HB LEU 140 2HB LEU 140 -9.077 -8.116 4.756 1089 HG LEU 140 HG LEU 140 -6.559 -8.057 3.662 1090 1HD1 LEU 140 1HD1 LEU 140 -5.908 -6.027 2.922 1091 2HD1 LEU 140 2HD1 LEU 140 -7.628 -5.875 2.490 1092 3HD1 LEU 140 3HD1 LEU 140 -7.021 -5.150 3.999 1093 1HD2 LEU 140 1HD2 LEU 140 -6.507 -6.197 5.769 1094 2HD2 LEU 140 2HD2 LEU 140 -7.862 -7.296 6.119 1095 3HD2 LEU 140 3HD2 LEU 140 -6.229 -7.953 5.852 1096 H GLY 141 H GLY 141 -11.442 -8.699 2.499 1097 1HA GLY 141 1HA GLY 141 -12.235 -10.694 4.283 1098 2HA GLY 141 2HA GLY 141 -13.186 -10.036 2.967 1099 H ARG 142 H ARG 142 -11.719 -10.783 0.687 1100 HA ARG 142 HA ARG 142 -12.532 -13.425 0.448 1101 1HB ARG 142 1HB ARG 142 -12.212 -11.598 -1.385 1102 2HB ARG 142 2HB ARG 142 -10.516 -12.040 -1.376 1103 1HG ARG 142 1HG ARG 142 -10.949 -14.242 -2.170 1104 2HG ARG 142 2HG ARG 142 -12.631 -14.193 -1.682 1105 1HD ARG 142 1HD ARG 142 -11.451 -12.430 -3.884 1106 2HD ARG 142 2HD ARG 142 -12.261 -13.955 -4.188 1107 HE ARG 142 HE ARG 142 -13.880 -12.158 -2.555 1108 1HH1 ARG 142 2HH2 ARG 142 -12.945 -12.939 -5.856 1109 2HH1 ARG 142 1HH2 ARG 142 -14.376 -12.258 -6.557 1110 1HH2 ARG 142 2HH1 ARG 142 -15.766 -11.260 -3.479 1111 2HH2 ARG 142 1HH1 ARG 142 -15.991 -11.296 -5.196 1112 H ARG 143 H ARG 143 -9.362 -11.849 1.063 1113 HA ARG 143 HA ARG 143 -8.270 -14.524 1.429 1114 1HB ARG 143 1HB ARG 143 -7.383 -12.697 -0.434 1115 2HB ARG 143 2HB ARG 143 -6.366 -12.266 0.927 1116 1HG ARG 143 1HG ARG 143 -6.671 -15.119 -0.119 1117 2HG ARG 143 2HG ARG 143 -5.381 -14.039 -0.608 1118 1HD ARG 143 1HD ARG 143 -4.194 -14.565 1.254 1119 2HD ARG 143 2HD ARG 143 -5.501 -14.006 2.277 1120 HE ARG 143 HE ARG 143 -6.231 -16.227 2.555 1121 1HH1 ARG 143 2HH2 ARG 143 -3.858 -16.064 -0.039 1122 2HH1 ARG 143 1HH2 ARG 143 -3.693 -17.783 -0.168 1123 1HH2 ARG 143 2HH1 ARG 143 -6.013 -18.496 2.384 1124 2HH2 ARG 143 1HH1 ARG 143 -4.927 -19.176 1.219 1125 H GLN 144 H GLN 144 -8.678 -14.618 3.698 1126 HA GLN 144 HA GLN 144 -7.715 -12.396 5.272 1127 1HB GLN 144 1HB GLN 144 -9.984 -13.481 5.671 1128 2HB GLN 144 2HB GLN 144 -9.142 -14.918 6.212 1129 1HG GLN 144 1HG GLN 144 -7.975 -12.663 7.579 1130 2HG GLN 144 2HG GLN 144 -9.716 -12.511 7.702 1131 1HE2 GLN 144 1HE2 GLN 144 -10.950 -14.236 8.573 1132 2HE2 GLN 144 2HE2 GLN 144 -10.264 -15.368 9.690 Start of MODEL 14 1 1H ASP 1 H ASP 1 -9.218 19.300 11.783 2 HA ASP 1 HA ASP 1 -6.945 19.809 10.078 3 1HB ASP 1 1HB ASP 1 -7.413 19.260 12.982 4 2HB ASP 1 2HB ASP 1 -5.931 18.591 12.330 5 H LEU 2 H LEU 2 -5.190 17.849 10.317 6 HA LEU 2 HA LEU 2 -6.533 15.536 9.263 7 1HB LEU 2 1HB LEU 2 -3.855 16.694 9.243 8 2HB LEU 2 2HB LEU 2 -3.834 14.958 9.484 9 HG LEU 2 HG LEU 2 -5.570 15.097 7.412 10 1HD1 LEU 2 1HD1 LEU 2 -4.780 16.729 5.776 11 2HD1 LEU 2 2HD1 LEU 2 -5.413 17.534 7.232 12 3HD1 LEU 2 3HD1 LEU 2 -3.657 17.408 6.979 13 1HD2 LEU 2 1HD2 LEU 2 -3.676 13.627 7.467 14 2HD2 LEU 2 2HD2 LEU 2 -3.623 14.559 5.951 15 3HD2 LEU 2 3HD2 LEU 2 -2.546 14.992 7.301 16 HA PRO 3 HA PRO 3 -6.306 13.043 12.783 17 1HB PRO 3 1HB PRO 3 -5.470 10.598 11.889 18 2HB PRO 3 2HB PRO 3 -7.111 11.183 11.690 19 1HG PRO 3 1HG PRO 3 -4.961 10.971 9.673 20 2HG PRO 3 2HG PRO 3 -6.687 11.139 9.423 21 1HD PRO 3 1HD PRO 3 -4.705 13.194 9.146 22 2HD PRO 3 2HD PRO 3 -6.442 13.388 9.011 23 HA PRO 4 HA PRO 4 -2.503 12.881 14.654 24 1HB PRO 4 1HB PRO 4 -2.817 11.024 16.635 25 2HB PRO 4 2HB PRO 4 -3.395 12.672 16.767 26 1HG PRO 4 1HG PRO 4 -4.939 10.200 16.281 27 2HG PRO 4 2HG PRO 4 -5.513 11.761 16.831 28 1HD PRO 4 1HD PRO 4 -5.776 10.670 14.192 29 2HD PRO 4 2HD PRO 4 -6.245 12.276 14.714 30 HA PRO 5 HA PRO 5 -0.214 9.836 12.751 31 1HB PRO 5 1HB PRO 5 2.295 10.632 13.480 32 2HB PRO 5 2HB PRO 5 1.428 11.321 12.122 33 1HG PRO 5 1HG PRO 5 1.921 12.489 14.793 34 2HG PRO 5 2HG PRO 5 1.446 13.297 13.313 35 1HD PRO 5 1HD PRO 5 -0.244 12.666 15.543 36 2HD PRO 5 2HD PRO 5 -0.741 13.369 14.016 37 H GLU 6 H GLU 6 0.238 7.748 13.148 38 HA GLU 6 HA GLU 6 0.501 7.185 15.974 39 1HB GLU 6 1HB GLU 6 -1.041 6.017 13.999 40 2HB GLU 6 2HB GLU 6 0.317 4.913 14.069 41 1HG GLU 6 1HG GLU 6 -0.033 4.445 16.398 42 2HG GLU 6 2HG GLU 6 -1.074 5.837 16.611 43 HA PRO 7 HA PRO 7 4.738 6.347 15.372 44 1HB PRO 7 1HB PRO 7 5.329 5.414 17.872 45 2HB PRO 7 2HB PRO 7 5.263 7.120 17.477 46 1HG PRO 7 1HG PRO 7 3.307 5.487 18.976 47 2HG PRO 7 2HG PRO 7 3.478 7.230 18.934 48 1HD PRO 7 1HD PRO 7 1.495 5.668 17.572 49 2HD PRO 7 2HD PRO 7 1.740 7.398 17.439 50 H TYR 8 H TYR 8 5.549 4.815 14.103 51 HA TYR 8 HA TYR 8 5.025 2.076 15.025 52 1HB TYR 8 1HB TYR 8 3.513 2.427 13.162 53 2HB TYR 8 2HB TYR 8 4.634 3.503 12.351 54 HD1 TYR 8 1HD TYR 8 6.251 2.672 10.794 55 HD2 TYR 8 2HD TYR 8 3.938 -0.056 13.144 56 HE1 TYR 8 1HE TYR 8 7.049 0.737 9.349 57 HE2 TYR 8 2HE TYR 8 4.744 -1.980 11.691 58 HH TYR 8 HH TYR 8 5.597 -2.075 9.143 59 H VAL 9 H VAL 9 6.774 0.697 14.930 60 HA VAL 9 HA VAL 9 9.159 1.757 13.579 61 HB VAL 9 HB VAL 9 9.513 2.095 15.888 62 1HG1 VAL 9 1HG1 VAL 9 7.791 0.842 16.930 63 2HG1 VAL 9 2HG1 VAL 9 8.393 -0.693 16.260 64 3HG1 VAL 9 3HG1 VAL 9 9.319 0.149 17.525 65 1HG2 VAL 9 1HG2 VAL 9 11.397 1.074 14.649 66 2HG2 VAL 9 2HG2 VAL 9 11.409 0.643 16.376 67 3HG2 VAL 9 3HG2 VAL 9 10.846 -0.538 15.167 68 H GLN 10 H GLN 10 10.491 0.207 12.529 69 HA GLN 10 HA GLN 10 9.128 -1.876 11.377 70 1HB GLN 10 1HB GLN 10 11.860 -0.813 11.383 71 2HB GLN 10 2HB GLN 10 11.863 -2.558 11.228 72 1HG GLN 10 1HG GLN 10 9.779 -1.746 9.517 73 2HG GLN 10 2HG GLN 10 11.006 -0.514 9.287 74 1HE2 GLN 10 1HE2 GLN 10 11.719 -1.069 7.319 75 2HE2 GLN 10 2HE2 GLN 10 12.516 -2.554 6.920 76 H THR 11 H THR 11 8.672 -3.966 11.979 77 HA THR 11 HA THR 11 10.160 -5.033 14.286 78 HB THR 11 HB THR 11 7.915 -4.249 14.999 79 HG1 THR 11 1HG THR 11 8.949 -6.459 15.541 80 1HG2 THR 11 1HG2 THR 11 6.614 -6.350 13.267 81 2HG2 THR 11 2HG2 THR 11 5.915 -4.860 13.946 82 3HG2 THR 11 3HG2 THR 11 6.972 -4.775 12.517 83 H THR 12 H THR 12 11.389 -5.677 12.128 84 HA THR 12 HA THR 12 12.089 -7.416 10.928 85 HB THR 12 HB THR 12 10.427 -8.606 13.053 86 HG1 THR 12 1HG THR 12 12.724 -9.436 11.422 87 1HG2 THR 12 1HG2 THR 12 10.387 -10.881 11.974 88 2HG2 THR 12 2HG2 THR 12 9.269 -9.751 11.175 89 3HG2 THR 12 3HG2 THR 12 10.838 -10.128 10.425 90 H LYS 13 H LYS 13 8.478 -7.724 11.165 91 HA LYS 13 HA LYS 13 6.926 -7.739 9.596 92 1HB LYS 13 1HB LYS 13 9.052 -6.345 7.946 93 2HB LYS 13 2HB LYS 13 7.398 -6.572 7.414 94 1HG LYS 13 1HG LYS 13 7.973 -5.302 10.111 95 2HG LYS 13 2HG LYS 13 8.056 -4.339 8.650 96 1HD LYS 13 1HD LYS 13 5.618 -6.047 9.300 97 2HD LYS 13 2HD LYS 13 5.782 -4.412 9.909 98 1HE LYS 13 1HE LYS 13 4.928 -3.671 7.939 99 2HE LYS 13 2HE LYS 13 6.414 -4.183 7.165 100 1HZ LYS 13 1HZ LYS 13 5.350 -6.428 7.037 101 2HZ LYS 13 2HZ LYS 13 3.940 -5.721 7.460 102 3HZ LYS 13 3HZ LYS 13 4.692 -5.281 6.079 103 H SER 14 H SER 14 6.226 -8.886 7.577 104 HA SER 14 HA SER 14 8.174 -10.731 6.553 105 1HB SER 14 1HB SER 14 6.824 -11.624 8.708 106 2HB SER 14 2HB SER 14 5.606 -11.979 7.499 107 HG SER 14 HG SER 14 8.204 -12.766 6.764 108 H TYR 15 H TYR 15 7.877 -10.742 4.356 109 HA TYR 15 HA TYR 15 5.187 -10.068 3.381 110 1HB TYR 15 1HB TYR 15 8.012 -9.917 2.154 111 2HB TYR 15 2HB TYR 15 6.559 -9.371 1.340 112 HD1 TYR 15 1HD TYR 15 5.924 -7.130 1.508 113 HD2 TYR 15 2HD TYR 15 8.522 -8.781 4.479 114 HE1 TYR 15 1HE TYR 15 6.223 -4.825 2.538 115 HE2 TYR 15 2HE TYR 15 8.813 -6.470 5.499 116 HH TYR 15 HH TYR 15 8.648 -4.057 4.563 117 HA PRO 16 HA PRO 16 4.992 -13.941 1.463 118 1HB PRO 16 1HB PRO 16 3.228 -13.452 -0.566 119 2HB PRO 16 2HB PRO 16 2.730 -13.727 1.091 120 1HG PRO 16 1HG PRO 16 2.834 -11.185 -0.416 121 2HG PRO 16 2HG PRO 16 1.960 -11.552 1.059 122 1HD PRO 16 1HD PRO 16 4.399 -10.059 0.835 123 2HD PRO 16 2HD PRO 16 3.587 -10.526 2.317 124 H SER 17 H SER 17 5.643 -11.227 -0.641 125 HA SER 17 HA SER 17 6.512 -12.740 -2.783 126 1HB SER 17 1HB SER 17 7.331 -10.703 -3.676 127 2HB SER 17 2HB SER 17 5.999 -10.213 -2.647 128 HG SER 17 HG SER 17 7.351 -9.210 -1.292 129 H LYS 18 H LYS 18 8.233 -11.405 0.099 130 HA LYS 18 HA LYS 18 10.563 -13.009 -0.698 131 1HB LYS 18 1HB LYS 18 11.958 -11.420 0.459 132 2HB LYS 18 2HB LYS 18 10.965 -10.572 -0.709 133 1HG LYS 18 1HG LYS 18 9.719 -9.486 0.916 134 2HG LYS 18 2HG LYS 18 9.783 -10.840 2.028 135 1HD LYS 18 1HD LYS 18 11.765 -10.142 2.993 136 2HD LYS 18 2HD LYS 18 12.411 -9.523 1.486 137 1HE LYS 18 1HE LYS 18 10.057 -7.985 2.346 138 2HE LYS 18 2HE LYS 18 11.291 -8.004 3.590 139 1HZ LYS 18 1HZ LYS 18 12.712 -7.578 1.367 140 2HZ LYS 18 2HZ LYS 18 11.339 -6.763 1.025 141 3HZ LYS 18 3HZ LYS 18 12.189 -6.402 2.372 142 H LEU 19 H LEU 19 8.579 -14.472 0.398 143 HA LEU 19 HA LEU 19 8.980 -14.501 3.275 144 1HB LEU 19 1HB LEU 19 6.797 -14.926 1.670 145 2HB LEU 19 2HB LEU 19 7.296 -16.564 2.041 146 HG LEU 19 HG LEU 19 6.939 -14.519 4.228 147 1HD1 LEU 19 1HD1 LEU 19 4.860 -15.695 2.546 148 2HD1 LEU 19 2HD1 LEU 19 4.636 -16.042 4.277 149 3HD1 LEU 19 3HD1 LEU 19 4.775 -14.358 3.718 150 1HD2 LEU 19 1HD2 LEU 19 7.147 -16.232 5.679 151 2HD2 LEU 19 2HD2 LEU 19 6.298 -17.382 4.620 152 3HD2 LEU 19 3HD2 LEU 19 8.011 -16.996 4.324 153 H ALA 20 H ALA 20 10.176 -15.976 0.357 154 HA ALA 20 HA ALA 20 11.763 -17.488 0.032 155 1HB ALA 20 1HB ALA 20 13.413 -17.385 1.555 156 2HB ALA 20 2HB ALA 20 12.302 -16.487 2.618 157 3HB ALA 20 3HB ALA 20 12.429 -18.258 2.753 158 H ARG 21 H ARG 21 8.779 -18.006 0.956 159 HA ARG 21 HA ARG 21 9.121 -20.787 1.669 160 1HB ARG 21 1HB ARG 21 6.963 -18.746 1.977 161 2HB ARG 21 2HB ARG 21 6.384 -20.354 1.594 162 1HG ARG 21 1HG ARG 21 8.380 -20.775 3.556 163 2HG ARG 21 2HG ARG 21 7.530 -19.343 4.101 164 1HD ARG 21 1HD ARG 21 5.392 -20.494 4.098 165 2HD ARG 21 2HD ARG 21 6.049 -21.860 3.218 166 HE ARG 21 HE ARG 21 6.833 -22.732 5.236 167 1HH1 ARG 21 2HH2 ARG 21 6.279 -19.281 5.638 168 2HH1 ARG 21 1HH2 ARG 21 6.611 -19.295 7.338 169 1HH2 ARG 21 2HH1 ARG 21 7.272 -22.752 7.478 170 2HH2 ARG 21 1HH1 ARG 21 7.181 -21.284 8.392 171 H ASN 22 H ASN 22 9.527 -21.985 -0.201 172 HA ASN 22 HA ASN 22 7.409 -22.051 -2.113 173 1HB ASN 22 1HB ASN 22 9.509 -20.337 -2.708 174 2HB ASN 22 2HB ASN 22 10.080 -21.824 -3.439 175 1HD2 ASN 22 1HD2 ASN 22 9.694 -21.799 -5.512 176 2HD2 ASN 22 2HD2 ASN 22 8.230 -21.318 -6.304 177 H GLU 23 H GLU 23 7.685 -24.009 -3.566 178 HA GLU 23 HA GLU 23 8.518 -26.204 -2.216 179 1HB GLU 23 1HB GLU 23 7.700 -25.560 -4.972 180 2HB GLU 23 2HB GLU 23 8.793 -26.928 -4.909 181 1HG GLU 23 1HG GLU 23 6.275 -26.659 -3.199 182 2HG GLU 23 2HG GLU 23 6.358 -27.567 -4.695 183 H SER 24 H SER 24 10.561 -26.428 -1.357 184 HA SER 24 HA SER 24 12.772 -25.829 -3.150 185 1HB SER 24 1HB SER 24 12.310 -25.148 -0.461 186 2HB SER 24 2HB SER 24 13.481 -26.446 -0.362 187 HG SER 24 HG SER 24 14.937 -25.277 -1.642 188 H ARG 25 H ARG 25 11.832 -28.194 -0.538 189 HA ARG 25 HA ARG 25 13.736 -30.058 -1.389 190 1HB ARG 25 1HB ARG 25 11.716 -29.806 0.715 191 2HB ARG 25 2HB ARG 25 11.681 -31.426 0.047 192 1HG ARG 25 1HG ARG 25 14.387 -31.088 0.268 193 2HG ARG 25 2HG ARG 25 13.859 -30.044 1.573 194 1HD ARG 25 1HD ARG 25 12.316 -32.494 1.694 195 2HD ARG 25 2HD ARG 25 14.011 -32.919 1.554 196 HE ARG 25 HE ARG 25 13.643 -30.796 3.492 197 1HH1 ARG 25 2HH2 ARG 25 13.302 -34.271 3.056 198 2HH1 ARG 25 1HH2 ARG 25 13.483 -34.630 4.742 199 1HH2 ARG 25 2HH1 ARG 25 13.881 -31.268 5.715 200 2HH2 ARG 25 1HH1 ARG 25 13.813 -32.909 6.264 201 H GLY 26 H GLY 26 13.591 -31.650 -2.965 202 1HA GLY 26 1HA GLY 26 12.326 -33.350 -4.054 203 2HA GLY 26 2HA GLY 26 10.906 -32.326 -3.985 204 H SER 27 H SER 27 10.492 -32.286 -6.232 205 HA SER 27 HA SER 27 11.872 -30.319 -7.637 206 1HB SER 27 1HB SER 27 12.875 -31.663 -9.441 207 2HB SER 27 2HB SER 27 13.597 -32.074 -7.898 208 HG SER 27 HG SER 27 12.963 -34.091 -8.183 209 H GLY 28 H GLY 28 10.394 -29.475 -9.089 210 1HA GLY 28 1HA GLY 28 8.791 -30.806 -10.851 211 2HA GLY 28 2HA GLY 28 7.853 -30.779 -9.370 212 H SER 29 H SER 29 6.755 -29.441 -11.464 213 HA SER 29 HA SER 29 6.035 -27.525 -12.198 214 1HB SER 29 1HB SER 29 6.765 -26.437 -9.444 215 2HB SER 29 2HB SER 29 5.575 -25.764 -10.542 216 HG SER 29 HG SER 29 4.655 -27.121 -8.824 217 H GLY 30 H GLY 30 7.674 -27.151 -13.802 218 1HA GLY 30 1HA GLY 30 9.773 -25.232 -12.982 219 2HA GLY 30 2HA GLY 30 9.979 -26.462 -14.214 220 H SER 31 H SER 31 8.814 -23.250 -13.490 221 HA SER 31 HA SER 31 7.424 -23.062 -16.003 222 1HB SER 31 1HB SER 31 7.181 -21.791 -13.500 223 2HB SER 31 2HB SER 31 7.824 -20.542 -14.548 224 HG SER 31 HG SER 31 5.929 -21.730 -15.999 225 H LEU 32 H LEU 32 8.924 -23.085 -17.696 226 HA LEU 32 HA LEU 32 11.478 -22.123 -17.638 227 1HB LEU 32 1HB LEU 32 9.470 -22.748 -19.709 228 2HB LEU 32 2HB LEU 32 10.770 -21.689 -20.221 229 HG LEU 32 HG LEU 32 12.364 -23.466 -19.235 230 1HD1 LEU 32 1HD1 LEU 32 11.630 -25.594 -18.769 231 2HD1 LEU 32 2HD1 LEU 32 10.285 -24.618 -18.130 232 3HD1 LEU 32 3HD1 LEU 32 10.135 -25.410 -19.717 233 1HD2 LEU 32 1HD2 LEU 32 11.619 -24.963 -21.415 234 2HD2 LEU 32 2HD2 LEU 32 10.920 -23.369 -21.786 235 3HD2 LEU 32 3HD2 LEU 32 12.661 -23.521 -21.450 236 H PHE 33 H PHE 33 12.458 -20.151 -17.640 237 HA PHE 33 HA PHE 33 11.185 -17.896 -16.899 238 1HB PHE 33 1HB PHE 33 13.245 -16.779 -18.011 239 2HB PHE 33 2HB PHE 33 13.620 -18.094 -16.915 240 HD1 PHE 33 1HD PHE 33 14.735 -20.035 -17.678 241 HD2 PHE 33 2HD PHE 33 13.265 -17.219 -20.492 242 HE1 PHE 33 1HE PHE 33 16.005 -21.197 -19.505 243 HE2 PHE 33 2HE PHE 33 14.535 -18.379 -22.319 244 HZ PHE 33 HZ PHE 33 15.890 -20.355 -21.803 245 H SER 34 H SER 34 10.809 -15.800 -18.074 246 HA SER 34 HA SER 34 9.983 -16.306 -20.821 247 1HB SER 34 1HB SER 34 8.406 -15.093 -18.546 248 2HB SER 34 2HB SER 34 8.101 -14.536 -20.180 249 HG SER 34 HG SER 34 6.888 -16.527 -19.189 250 H PHE 35 H PHE 35 9.631 -14.117 -22.034 251 HA PHE 35 HA PHE 35 11.948 -12.502 -21.487 252 1HB PHE 35 1HB PHE 35 9.729 -12.654 -23.599 253 2HB PHE 35 2HB PHE 35 10.911 -11.362 -23.643 254 HD1 PHE 35 1HD PHE 35 10.795 -15.090 -23.426 255 HD2 PHE 35 2HD PHE 35 12.798 -11.666 -24.933 256 HE1 PHE 35 1HE PHE 35 12.368 -16.572 -24.703 257 HE2 PHE 35 2HE PHE 35 14.370 -13.147 -26.210 258 HZ PHE 35 HZ PHE 35 14.136 -15.583 -26.080 259 H LEU 36 H LEU 36 8.367 -11.976 -21.836 260 HA LEU 36 HA LEU 36 8.750 -9.456 -20.377 261 1HB LEU 36 1HB LEU 36 7.655 -9.816 -22.835 262 2HB LEU 36 2HB LEU 36 6.226 -9.943 -21.828 263 HG LEU 36 HG LEU 36 7.838 -7.663 -21.032 264 1HD1 LEU 36 1HD1 LEU 36 7.511 -8.117 -23.922 265 2HD1 LEU 36 2HD1 LEU 36 6.942 -6.530 -23.351 266 3HD1 LEU 36 3HD1 LEU 36 8.619 -7.039 -23.038 267 1HD2 LEU 36 1HD2 LEU 36 5.366 -8.225 -20.610 268 2HD2 LEU 36 2HD2 LEU 36 5.790 -6.542 -21.005 269 3HD2 LEU 36 3HD2 LEU 36 5.083 -7.599 -22.252 270 H GLY 37 H GLY 37 8.909 -10.965 -18.441 271 1HA GLY 37 1HA GLY 37 6.480 -12.312 -17.654 272 2HA GLY 37 2HA GLY 37 7.970 -12.159 -16.744 273 H LYS 38 H LYS 38 5.189 -10.160 -17.951 274 HA LYS 38 HA LYS 38 5.047 -8.947 -15.315 275 1HB LYS 38 1HB LYS 38 6.521 -7.433 -16.504 276 2HB LYS 38 2HB LYS 38 5.423 -7.356 -17.867 277 1HG LYS 38 1HG LYS 38 4.148 -6.702 -15.262 278 2HG LYS 38 2HG LYS 38 5.425 -5.594 -15.723 279 1HD LYS 38 1HD LYS 38 3.798 -6.155 -18.058 280 2HD LYS 38 2HD LYS 38 2.740 -5.712 -16.733 281 1HE LYS 38 1HE LYS 38 3.982 -3.622 -16.361 282 2HE LYS 38 2HE LYS 38 5.199 -4.086 -17.533 283 1HZ LYS 38 1HZ LYS 38 3.326 -2.569 -18.269 284 2HZ LYS 38 2HZ LYS 38 3.722 -3.806 -19.259 285 3HZ LYS 38 3HZ LYS 38 2.392 -3.906 -18.317 286 H LYS 39 H LYS 39 3.074 -9.851 -14.830 287 HA LYS 39 HA LYS 39 0.917 -9.166 -16.700 288 1HB LYS 39 1HB LYS 39 1.781 -11.713 -16.320 289 2HB LYS 39 2HB LYS 39 0.593 -11.603 -15.038 290 1HG LYS 39 1HG LYS 39 -0.407 -10.399 -17.528 291 2HG LYS 39 2HG LYS 39 0.076 -12.065 -17.774 292 1HD LYS 39 1HD LYS 39 -1.509 -11.528 -15.291 293 2HD LYS 39 2HD LYS 39 -2.374 -11.327 -16.802 294 1HE LYS 39 1HE LYS 39 -2.677 -13.582 -16.790 295 2HE LYS 39 2HE LYS 39 -0.982 -13.720 -17.208 296 1HZ LYS 39 1HZ LYS 39 -0.458 -14.317 -15.134 297 2HZ LYS 39 2HZ LYS 39 -1.533 -13.318 -14.417 298 3HZ LYS 39 3HZ LYS 39 -2.030 -14.751 -15.025 299 H CYS 40 H CYS 40 1.698 -7.353 -14.780 300 HA CYS 40 HA CYS 40 0.552 -7.735 -12.278 301 1HB CYS 40 1HB CYS 40 1.100 -5.158 -13.787 302 2HB CYS 40 2HB CYS 40 0.685 -5.251 -12.087 303 HG CYS 40 HG CYS 40 3.014 -5.210 -11.548 304 H VAL 41 H VAL 41 -1.538 -7.213 -11.459 305 HA VAL 41 HA VAL 41 -3.521 -6.594 -13.540 306 HB VAL 41 HB VAL 41 -3.678 -8.379 -11.108 307 1HG1 VAL 41 1HG1 VAL 41 -5.755 -6.794 -12.198 308 2HG1 VAL 41 2HG1 VAL 41 -6.052 -8.463 -12.741 309 3HG1 VAL 41 3HG1 VAL 41 -5.889 -8.109 -11.004 310 1HG2 VAL 41 1HG2 VAL 41 -4.233 -9.046 -14.012 311 2HG2 VAL 41 2HG2 VAL 41 -2.640 -9.256 -13.247 312 3HG2 VAL 41 3HG2 VAL 41 -4.044 -10.166 -12.641 313 H THR 42 H THR 42 -4.876 -4.867 -13.192 314 HA THR 42 HA THR 42 -4.371 -3.361 -10.724 315 HB THR 42 HB THR 42 -5.617 -2.507 -13.390 316 HG1 THR 42 1HG THR 42 -2.968 -2.144 -12.179 317 1HG2 THR 42 1HG2 THR 42 -4.382 -0.316 -12.263 318 2HG2 THR 42 2HG2 THR 42 -6.119 -0.658 -12.088 319 3HG2 THR 42 3HG2 THR 42 -4.985 -1.140 -10.805 320 H MET 43 H MET 43 -5.893 -3.019 -9.204 321 HA MET 43 HA MET 43 -8.418 -4.345 -9.696 322 1HB MET 43 1HB MET 43 -6.638 -3.919 -7.423 323 2HB MET 43 2HB MET 43 -8.214 -3.264 -7.023 324 1HG MET 43 1HG MET 43 -9.294 -5.424 -7.613 325 2HG MET 43 2HG MET 43 -7.746 -6.086 -8.104 326 1HE MET 43 1HE MET 43 -8.872 -4.849 -3.811 327 2HE MET 43 2HE MET 43 -9.027 -3.823 -5.258 328 3HE MET 43 3HE MET 43 -10.087 -5.238 -5.054 329 H SER 44 H SER 44 -7.277 -1.276 -8.093 330 HA SER 44 HA SER 44 -9.495 0.055 -9.395 331 1HB SER 44 1HB SER 44 -10.455 0.893 -7.447 332 2HB SER 44 2HB SER 44 -9.955 -0.695 -6.900 333 HG SER 44 HG SER 44 -9.037 1.831 -6.131 334 H SER 45 H SER 45 -9.231 2.618 -8.680 335 HA SER 45 HA SER 45 -6.503 3.335 -8.319 336 1HB SER 45 1HB SER 45 -6.483 2.831 -10.735 337 2HB SER 45 2HB SER 45 -7.866 3.875 -10.994 338 HG SER 45 HG SER 45 -6.329 5.569 -9.902 339 H ALA 46 H ALA 46 -6.652 5.070 -6.948 340 HA ALA 46 HA ALA 46 -8.717 7.060 -7.513 341 1HB ALA 46 1HB ALA 46 -8.222 6.344 -4.652 342 2HB ALA 46 2HB ALA 46 -9.710 6.908 -5.448 343 3HB ALA 46 3HB ALA 46 -9.198 5.212 -5.616 344 H VAL 47 H VAL 47 -8.072 9.185 -7.057 345 HA VAL 47 HA VAL 47 -5.244 9.532 -6.811 346 HB VAL 47 HB VAL 47 -7.568 11.455 -7.004 347 1HG1 VAL 47 1HG1 VAL 47 -5.493 12.369 -5.846 348 2HG1 VAL 47 2HG1 VAL 47 -4.643 12.136 -7.393 349 3HG1 VAL 47 3HG1 VAL 47 -6.034 13.243 -7.299 350 1HG2 VAL 47 1HG2 VAL 47 -7.437 11.261 -9.235 351 2HG2 VAL 47 2HG2 VAL 47 -5.659 11.323 -9.223 352 3HG2 VAL 47 3HG2 VAL 47 -6.497 9.780 -8.931 353 H VAL 48 H VAL 48 -4.082 9.875 -4.981 354 HA VAL 48 HA VAL 48 -5.451 10.985 -2.672 355 HB VAL 48 HB VAL 48 -5.279 9.204 -1.319 356 1HG1 VAL 48 1HG1 VAL 48 -5.820 7.124 -2.398 357 2HG1 VAL 48 2HG1 VAL 48 -6.548 8.443 -3.347 358 3HG1 VAL 48 3HG1 VAL 48 -5.058 7.653 -3.918 359 1HG2 VAL 48 1HG2 VAL 48 -2.734 8.562 -2.806 360 2HG2 VAL 48 2HG2 VAL 48 -2.965 8.979 -1.091 361 3HG2 VAL 48 3HG2 VAL 48 -3.470 7.382 -1.695 362 H GLN 49 H GLN 49 -3.766 11.480 -0.895 363 HA GLN 49 HA GLN 49 -1.325 12.286 -2.272 364 1HB GLN 49 1HB GLN 49 -2.763 13.560 0.096 365 2HB GLN 49 2HB GLN 49 -1.199 14.086 -0.494 366 1HG GLN 49 1HG GLN 49 -2.119 15.212 -2.249 367 2HG GLN 49 2HG GLN 49 -3.142 13.857 -2.687 368 1HE2 GLN 49 1HE2 GLN 49 -4.649 15.620 -3.149 369 2HE2 GLN 49 2HE2 GLN 49 -5.677 16.219 -1.890 370 H LEU 50 H LEU 50 0.588 11.412 -1.576 371 HA LEU 50 HA LEU 50 0.488 9.572 0.623 372 1HB LEU 50 1HB LEU 50 1.702 9.331 -1.631 373 2HB LEU 50 2HB LEU 50 2.926 10.378 -0.943 374 HG LEU 50 HG LEU 50 3.589 8.064 -0.729 375 1HD1 LEU 50 1HD1 LEU 50 4.130 9.732 1.080 376 2HD1 LEU 50 2HD1 LEU 50 2.798 9.027 2.027 377 3HD1 LEU 50 3HD1 LEU 50 4.193 8.022 1.569 378 1HD2 LEU 50 1HD2 LEU 50 1.944 6.903 1.181 379 2HD2 LEU 50 2HD2 LEU 50 0.809 7.690 0.058 380 3HD2 LEU 50 3HD2 LEU 50 1.998 6.516 -0.556 381 H TYR 51 H TYR 51 0.944 10.016 2.712 382 HA TYR 51 HA TYR 51 2.561 12.417 3.231 383 1HB TYR 51 1HB TYR 51 -0.004 11.284 4.496 384 2HB TYR 51 2HB TYR 51 0.969 12.478 5.333 385 HD1 TYR 51 1HD TYR 51 -1.964 12.246 3.720 386 HD2 TYR 51 2HD TYR 51 1.689 14.445 3.368 387 HE1 TYR 51 1HE TYR 51 -3.194 14.108 2.503 388 HE2 TYR 51 2HE TYR 51 0.446 16.301 2.152 389 HH TYR 51 HH TYR 51 -3.056 16.052 1.584 390 H ALA 52 H ALA 52 3.839 12.359 5.192 391 HA ALA 52 HA ALA 52 4.148 9.642 6.271 392 1HB ALA 52 1HB ALA 52 6.511 11.469 6.105 393 2HB ALA 52 2HB ALA 52 6.423 9.698 5.951 394 3HB ALA 52 3HB ALA 52 5.941 10.734 4.587 395 H ALA 53 H ALA 53 4.028 9.515 8.470 396 HA ALA 53 HA ALA 53 3.594 11.991 9.894 397 1HB ALA 53 1HB ALA 53 3.252 9.044 10.441 398 2HB ALA 53 2HB ALA 53 3.260 10.201 11.792 399 3HB ALA 53 3HB ALA 53 2.046 10.351 10.499 400 H ASP 54 H ASP 54 5.653 13.008 9.907 401 HA ASP 54 HA ASP 54 7.421 11.810 11.836 402 1HB ASP 54 1HB ASP 54 8.015 11.438 9.189 403 2HB ASP 54 2HB ASP 54 8.772 12.998 9.438 404 H ARG 55 H ARG 55 9.445 13.617 11.977 405 HA ARG 55 HA ARG 55 10.047 15.631 12.481 406 1HB ARG 55 1HB ARG 55 8.146 16.107 10.274 407 2HB ARG 55 2HB ARG 55 8.206 17.469 11.376 408 1HG ARG 55 1HG ARG 55 10.080 18.116 10.258 409 2HG ARG 55 2HG ARG 55 10.904 16.819 11.100 410 1HD ARG 55 1HD ARG 55 11.009 15.485 9.225 411 2HD ARG 55 2HD ARG 55 9.398 15.924 8.694 412 HE ARG 55 HE ARG 55 10.294 17.722 7.456 413 1HH1 ARG 55 2HH2 ARG 55 12.760 16.350 9.557 414 2HH1 ARG 55 1HH2 ARG 55 14.059 17.224 8.816 415 1HH2 ARG 55 2HH1 ARG 55 12.007 18.874 6.476 416 2HH2 ARG 55 1HH1 ARG 55 13.628 18.669 7.052 417 H ASN 56 H ASN 56 9.353 15.094 14.710 418 HA ASN 56 HA ASN 56 8.213 15.329 16.550 419 1HB ASN 56 1HB ASN 56 8.049 18.045 15.238 420 2HB ASN 56 2HB ASN 56 7.089 17.798 16.684 421 1HD2 ASN 56 1HD2 ASN 56 10.002 18.779 15.523 422 2HD2 ASN 56 2HD2 ASN 56 11.005 18.596 16.923 423 H CYS 57 H CYS 57 6.708 13.924 14.617 424 HA CYS 57 HA CYS 57 4.682 13.255 14.110 425 1HB CYS 57 1HB CYS 57 4.049 14.789 16.630 426 2HB CYS 57 2HB CYS 57 2.772 14.032 15.698 427 HG CYS 57 HG CYS 57 4.944 12.861 17.688 428 H MET 58 H MET 58 4.823 14.430 12.060 429 HA MET 58 HA MET 58 2.727 16.324 11.811 430 1HB MET 58 1HB MET 58 5.657 17.136 11.597 431 2HB MET 58 2HB MET 58 4.467 17.956 10.606 432 1HG MET 58 1HG MET 58 3.181 18.091 13.007 433 2HG MET 58 2HG MET 58 4.835 18.033 13.586 434 1HE MET 58 1HE MET 58 3.855 20.439 10.029 435 2HE MET 58 2HE MET 58 2.852 19.146 10.731 436 3HE MET 58 3HE MET 58 2.526 20.847 11.139 437 H TRP 59 H TRP 59 1.710 15.381 10.088 438 HA TRP 59 HA TRP 59 2.731 13.644 8.300 439 1HB TRP 59 1HB TRP 59 0.672 15.735 7.594 440 2HB TRP 59 2HB TRP 59 0.871 14.148 6.878 441 HD1 TRP 59 HD TRP 59 -0.921 15.867 9.703 442 HE1 TRP 59 1HE TRP 59 -2.305 14.189 11.197 443 HE3 TRP 59 3HE TRP 59 1.124 11.633 7.768 444 HZ2 TRP 59 2HZ TRP 59 -2.387 11.343 11.398 445 HZ3 TRP 59 3HZ TRP 59 0.337 9.446 8.669 446 HH2 TRP 59 HH TRP 59 -1.356 9.260 10.421 447 H SER 60 H SER 60 4.173 13.719 6.608 448 HA SER 60 HA SER 60 4.923 16.398 5.727 449 1HB SER 60 1HB SER 60 6.637 14.991 7.089 450 2HB SER 60 2HB SER 60 6.767 13.983 5.662 451 HG SER 60 HG SER 60 8.282 15.955 5.991 452 H LYS 61 H LYS 61 4.056 16.711 3.705 453 HA LYS 61 HA LYS 61 3.190 14.637 2.062 454 1HB LYS 61 1HB LYS 61 2.333 16.941 1.985 455 2HB LYS 61 2HB LYS 61 3.870 17.509 1.367 456 1HG LYS 61 1HG LYS 61 2.545 15.242 -0.107 457 2HG LYS 61 2HG LYS 61 1.823 16.832 -0.264 458 1HD LYS 61 1HD LYS 61 4.779 16.845 -0.545 459 2HD LYS 61 2HD LYS 61 3.968 15.882 -1.764 460 1HE LYS 61 1HE LYS 61 3.747 17.899 -2.845 461 2HE LYS 61 2HE LYS 61 2.354 18.086 -1.800 462 1HZ LYS 61 1HZ LYS 61 4.651 18.859 -0.416 463 2HZ LYS 61 2HZ LYS 61 4.621 19.637 -1.851 464 3HZ LYS 61 3HZ LYS 61 3.357 19.767 -0.827 465 H LYS 62 H LYS 62 4.138 13.426 0.459 466 HA LYS 62 HA LYS 62 7.004 13.928 0.066 467 1HB LYS 62 1HB LYS 62 5.397 11.441 0.422 468 2HB LYS 62 2HB LYS 62 6.741 11.371 -0.699 469 1HG LYS 62 1HG LYS 62 7.382 12.753 1.854 470 2HG LYS 62 2HG LYS 62 6.943 11.068 2.054 471 1HD LYS 62 1HD LYS 62 9.133 10.649 1.547 472 2HD LYS 62 2HD LYS 62 8.630 10.886 -0.115 473 1HE LYS 62 1HE LYS 62 9.690 12.923 -0.288 474 2HE LYS 62 2HE LYS 62 9.240 13.414 1.332 475 1HZ LYS 62 1HZ LYS 62 11.029 11.271 1.466 476 2HZ LYS 62 2HZ LYS 62 11.664 12.430 0.508 477 3HZ LYS 62 3HZ LYS 62 11.213 12.790 2.036 478 H CYS 63 H CYS 63 3.852 13.160 -1.472 479 HA CYS 63 HA CYS 63 4.150 14.665 -3.656 480 1HB CYS 63 1HB CYS 63 5.925 12.353 -3.899 481 2HB CYS 63 2HB CYS 63 4.770 12.434 -5.214 482 HG CYS 63 HG CYS 63 7.410 13.846 -4.993 483 H SER 64 H SER 64 2.123 14.614 -4.634 484 HA SER 64 HA SER 64 0.508 12.285 -3.970 485 1HB SER 64 1HB SER 64 -0.633 14.922 -4.923 486 2HB SER 64 2HB SER 64 -1.397 13.692 -3.937 487 HG SER 64 HG SER 64 0.326 15.795 -3.186 488 H GLY 65 H GLY 65 -1.273 11.795 -5.684 489 1HA GLY 65 1HA GLY 65 -1.225 12.634 -8.294 490 2HA GLY 65 2HA GLY 65 0.016 11.399 -8.208 491 H VAL 66 H VAL 66 -1.290 10.039 -9.630 492 HA VAL 66 HA VAL 66 -3.825 9.131 -8.550 493 HB VAL 66 HB VAL 66 -2.451 8.167 -11.049 494 1HG1 VAL 66 1HG1 VAL 66 -4.772 7.364 -9.860 495 2HG1 VAL 66 2HG1 VAL 66 -5.371 8.625 -10.964 496 3HG1 VAL 66 3HG1 VAL 66 -4.439 7.251 -11.605 497 1HG2 VAL 66 1HG2 VAL 66 -2.400 10.318 -11.735 498 2HG2 VAL 66 2HG2 VAL 66 -4.151 10.094 -11.966 499 3HG2 VAL 66 3HG2 VAL 66 -3.541 10.855 -10.478 500 H ALA 67 H ALA 67 -3.965 7.428 -7.191 501 HA ALA 67 HA ALA 67 -1.683 5.578 -7.158 502 1HB ALA 67 1HB ALA 67 -2.365 7.012 -5.101 503 2HB ALA 67 2HB ALA 67 -3.749 5.900 -4.971 504 3HB ALA 67 3HB ALA 67 -2.089 5.270 -4.858 505 H CYS 68 H CYS 68 -2.029 3.365 -7.411 506 HA CYS 68 HA CYS 68 -4.803 2.522 -7.694 507 1HB CYS 68 1HB CYS 68 -4.327 1.317 -9.767 508 2HB CYS 68 2HB CYS 68 -4.067 3.038 -9.971 509 HG CYS 68 HG CYS 68 -2.256 0.912 -10.897 510 H LEU 69 H LEU 69 -5.101 0.291 -7.100 511 HA LEU 69 HA LEU 69 -2.820 -0.797 -5.647 512 1HB LEU 69 1HB LEU 69 -4.759 -0.551 -4.320 513 2HB LEU 69 2HB LEU 69 -5.792 -1.265 -5.543 514 HG LEU 69 HG LEU 69 -3.757 -3.164 -4.787 515 1HD1 LEU 69 1HD1 LEU 69 -5.058 -1.664 -2.558 516 2HD1 LEU 69 2HD1 LEU 69 -4.872 -3.426 -2.399 517 3HD1 LEU 69 3HD1 LEU 69 -3.441 -2.400 -2.659 518 1HD2 LEU 69 1HD2 LEU 69 -6.109 -4.199 -3.899 519 2HD2 LEU 69 2HD2 LEU 69 -6.688 -2.994 -5.076 520 3HD2 LEU 69 3HD2 LEU 69 -5.547 -4.261 -5.587 521 H VAL 70 H VAL 70 -1.519 -2.160 -6.741 522 HA VAL 70 HA VAL 70 -2.722 -3.712 -8.907 523 HB VAL 70 HB VAL 70 0.163 -3.129 -8.206 524 1HG1 VAL 70 1HG1 VAL 70 0.056 -5.243 -9.340 525 2HG1 VAL 70 2HG1 VAL 70 -1.077 -4.601 -10.552 526 3HG1 VAL 70 3HG1 VAL 70 0.605 -4.023 -10.514 527 1HG2 VAL 70 1HG2 VAL 70 -1.359 -2.071 -10.594 528 2HG2 VAL 70 2HG2 VAL 70 -1.342 -1.211 -9.035 529 3HG2 VAL 70 3HG2 VAL 70 0.183 -1.504 -9.906 530 H LYS 71 H LYS 71 -2.454 -6.004 -9.023 531 HA LYS 71 HA LYS 71 -1.599 -7.205 -6.483 532 1HB LYS 71 1HB LYS 71 -4.000 -7.253 -6.504 533 2HB LYS 71 2HB LYS 71 -4.043 -7.845 -8.152 534 1HG LYS 71 1HG LYS 71 -2.687 -9.887 -7.284 535 2HG LYS 71 2HG LYS 71 -3.076 -9.324 -5.671 536 1HD LYS 71 1HD LYS 71 -5.161 -10.207 -5.802 537 2HD LYS 71 2HD LYS 71 -5.499 -9.309 -7.267 538 1HE LYS 71 1HE LYS 71 -4.725 -11.055 -8.679 539 2HE LYS 71 2HE LYS 71 -3.764 -11.791 -7.412 540 1HZ LYS 71 1HZ LYS 71 -5.748 -12.486 -6.328 541 2HZ LYS 71 2HZ LYS 71 -6.700 -11.684 -7.384 542 3HZ LYS 71 3HZ LYS 71 -5.830 -12.972 -7.885 543 H ASP 72 H ASP 72 -0.031 -8.725 -6.676 544 HA ASP 72 HA ASP 72 1.008 -9.209 -9.246 545 1HB ASP 72 1HB ASP 72 1.804 -9.558 -6.498 546 2HB ASP 72 2HB ASP 72 1.990 -11.108 -7.293 547 H ASN 73 H ASN 73 -0.572 -10.392 -10.486 548 HA ASN 73 HA ASN 73 -1.853 -12.644 -9.349 549 1HB ASN 73 1HB ASN 73 -2.326 -10.964 -11.532 550 2HB ASN 73 2HB ASN 73 -1.788 -12.434 -12.321 551 1HD2 ASN 73 1HD2 ASN 73 -4.323 -10.819 -10.778 552 2HD2 ASN 73 2HD2 ASN 73 -5.480 -12.104 -10.682 553 HA PRO 74 HA PRO 74 1.411 -14.636 -12.246 554 1HB PRO 74 1HB PRO 74 3.615 -13.158 -12.902 555 2HB PRO 74 2HB PRO 74 2.222 -13.318 -13.952 556 1HG PRO 74 1HG PRO 74 3.037 -11.011 -12.293 557 2HG PRO 74 2HG PRO 74 1.922 -11.052 -13.645 558 1HD PRO 74 1HD PRO 74 1.240 -10.911 -10.862 559 2HD PRO 74 2HD PRO 74 0.128 -11.069 -12.208 560 H GLN 75 H GLN 75 1.717 -13.076 -9.393 561 HA GLN 75 HA GLN 75 3.972 -14.804 -8.729 562 1HB GLN 75 1HB GLN 75 3.518 -11.917 -8.192 563 2HB GLN 75 2HB GLN 75 4.054 -12.831 -6.797 564 1HG GLN 75 1HG GLN 75 5.585 -13.622 -9.156 565 2HG GLN 75 2HG GLN 75 5.649 -11.882 -8.957 566 1HE2 GLN 75 1HE2 GLN 75 6.274 -11.013 -6.889 567 2HE2 GLN 75 2HE2 GLN 75 7.388 -11.869 -5.875 568 H ARG 76 H ARG 76 2.207 -12.785 -6.391 569 HA ARG 76 HA ARG 76 0.113 -14.226 -5.705 570 1HB ARG 76 1HB ARG 76 1.059 -15.704 -3.767 571 2HB ARG 76 2HB ARG 76 1.208 -16.316 -5.402 572 1HG ARG 76 1HG ARG 76 3.534 -14.830 -5.172 573 2HG ARG 76 2HG ARG 76 3.327 -15.393 -3.526 574 1HD ARG 76 1HD ARG 76 3.396 -17.154 -6.025 575 2HD ARG 76 2HD ARG 76 4.673 -17.012 -4.834 576 HE ARG 76 HE ARG 76 2.289 -18.633 -4.600 577 1HH1 ARG 76 2HH2 ARG 76 4.531 -16.700 -2.696 578 2HH1 ARG 76 1HH2 ARG 76 4.238 -17.574 -1.229 579 1HH2 ARG 76 2HH1 ARG 76 1.904 -19.787 -2.664 580 2HH2 ARG 76 1HH1 ARG 76 2.734 -19.341 -1.212 581 H SER 77 H SER 77 0.831 -11.596 -5.484 582 HA SER 77 HA SER 77 0.407 -11.124 -2.739 583 1HB SER 77 1HB SER 77 2.997 -9.987 -3.865 584 2HB SER 77 2HB SER 77 2.410 -9.859 -2.218 585 HG SER 77 HG SER 77 3.510 -12.137 -3.574 586 H TYR 78 H TYR 78 1.012 -8.391 -2.582 587 HA TYR 78 HA TYR 78 -0.291 -7.276 -4.972 588 1HB TYR 78 1HB TYR 78 -0.657 -6.562 -1.996 589 2HB TYR 78 2HB TYR 78 -1.554 -5.847 -3.321 590 HD1 TYR 78 1HD TYR 78 -1.237 -8.742 -1.113 591 HD2 TYR 78 2HD TYR 78 -3.296 -7.152 -4.510 592 HE1 TYR 78 1HE TYR 78 -3.032 -10.527 -0.870 593 HE2 TYR 78 2HE TYR 78 -5.083 -8.942 -4.255 594 HH TYR 78 HH TYR 78 -5.891 -10.367 -1.983 595 H PHE 79 H PHE 79 -0.043 -4.792 -5.018 596 HA PHE 79 HA PHE 79 2.314 -3.849 -3.639 597 1HB PHE 79 1HB PHE 79 1.984 -4.144 -6.682 598 2HB PHE 79 2HB PHE 79 3.215 -3.120 -5.971 599 HD1 PHE 79 1HD PHE 79 2.022 -6.642 -6.031 600 HD2 PHE 79 2HD PHE 79 5.293 -4.013 -5.399 601 HE1 PHE 79 1HE PHE 79 3.575 -8.609 -5.887 602 HE2 PHE 79 2HE PHE 79 6.845 -5.980 -5.254 603 HZ PHE 79 HZ PHE 79 5.968 -8.254 -5.500 604 H LEU 80 H LEU 80 2.061 -1.718 -3.102 605 HA LEU 80 HA LEU 80 -0.047 -0.274 -4.551 606 1HB LEU 80 1HB LEU 80 0.164 -0.891 -1.835 607 2HB LEU 80 2HB LEU 80 0.633 0.794 -1.942 608 HG LEU 80 HG LEU 80 -1.935 -0.320 -3.099 609 1HD1 LEU 80 1HD1 LEU 80 -3.026 0.807 -1.142 610 2HD1 LEU 80 2HD1 LEU 80 -2.065 -0.635 -0.737 611 3HD1 LEU 80 3HD1 LEU 80 -1.409 0.989 -0.421 612 1HD2 LEU 80 1HD2 LEU 80 -1.347 2.566 -2.467 613 2HD2 LEU 80 2HD2 LEU 80 -0.887 1.841 -4.026 614 3HD2 LEU 80 3HD2 LEU 80 -2.596 1.875 -3.530 615 H ARG 81 H ARG 81 0.802 1.146 -5.971 616 HA ARG 81 HA ARG 81 3.122 2.623 -5.030 617 1HB ARG 81 1HB ARG 81 3.825 2.676 -7.532 618 2HB ARG 81 2HB ARG 81 4.073 1.170 -6.670 619 1HG ARG 81 1HG ARG 81 2.512 0.045 -7.918 620 2HG ARG 81 2HG ARG 81 1.378 1.381 -7.887 621 1HD ARG 81 1HD ARG 81 2.083 1.091 -10.192 622 2HD ARG 81 2HD ARG 81 2.814 2.574 -9.610 623 HE ARG 81 HE ARG 81 4.688 0.550 -9.052 624 1HH1 ARG 81 2HH2 ARG 81 3.124 1.873 -11.914 625 2HH1 ARG 81 1HH2 ARG 81 4.449 1.500 -12.967 626 1HH2 ARG 81 2HH1 ARG 81 6.435 0.059 -10.440 627 2HH2 ARG 81 1HH1 ARG 81 6.344 0.462 -12.122 628 H ILE 82 H ILE 82 3.197 4.866 -5.711 629 HA ILE 82 HA ILE 82 0.664 5.786 -6.881 630 HB ILE 82 HB ILE 82 2.373 6.813 -4.662 631 1HG1 ILE 82 1HG1 ILE 82 -0.497 7.311 -4.581 632 2HG1 ILE 82 2HG1 ILE 82 -0.148 5.618 -4.870 633 1HG2 ILE 82 1HG2 ILE 82 2.278 8.611 -6.419 634 2HG2 ILE 82 2HG2 ILE 82 0.510 8.619 -6.219 635 3HG2 ILE 82 3HG2 ILE 82 1.562 9.044 -4.848 636 1HD1 ILE 82 1HD1 ILE 82 0.463 5.331 -2.712 637 2HD1 ILE 82 2HD1 ILE 82 1.685 6.617 -2.857 638 3HD1 ILE 82 3HD1 ILE 82 0.015 7.026 -2.398 639 H PHE 83 H PHE 83 0.727 7.330 -8.551 640 HA PHE 83 HA PHE 83 3.423 7.811 -9.611 641 1HB PHE 83 1HB PHE 83 1.588 7.976 -11.733 642 2HB PHE 83 2HB PHE 83 2.578 6.573 -11.386 643 HD1 PHE 83 1HD PHE 83 1.500 5.092 -9.350 644 HD2 PHE 83 2HD PHE 83 -0.641 7.546 -12.071 645 HE1 PHE 83 1HE PHE 83 -0.570 3.731 -8.949 646 HE2 PHE 83 2HE PHE 83 -2.711 6.184 -11.670 647 HZ PHE 83 HZ PHE 83 -2.652 4.293 -10.113 648 H ASP 84 H ASP 84 3.851 9.878 -10.496 649 HA ASP 84 HA ASP 84 2.136 11.899 -9.456 650 1HB ASP 84 1HB ASP 84 4.669 12.014 -9.471 651 2HB ASP 84 2HB ASP 84 4.620 12.138 -11.219 652 H ILE 85 H ILE 85 1.400 13.767 -10.924 653 HA ILE 85 HA ILE 85 0.730 12.722 -13.587 654 HB ILE 85 HB ILE 85 -1.192 12.928 -12.118 655 1HG1 ILE 85 1HG1 ILE 85 -1.451 15.199 -14.070 656 2HG1 ILE 85 2HG1 ILE 85 -1.138 13.579 -14.663 657 1HG2 ILE 85 1HG2 ILE 85 -1.904 15.338 -11.525 658 2HG2 ILE 85 2HG2 ILE 85 -0.671 14.538 -10.521 659 3HG2 ILE 85 3HG2 ILE 85 -0.183 15.739 -11.741 660 1HD1 ILE 85 1HD1 ILE 85 -3.550 14.629 -13.184 661 2HD1 ILE 85 2HD1 ILE 85 -3.474 13.586 -14.624 662 3HD1 ILE 85 3HD1 ILE 85 -3.123 12.910 -13.015 663 H LYS 86 H LYS 86 3.089 14.404 -12.314 664 HA LYS 86 HA LYS 86 2.852 16.629 -14.217 665 1HB LYS 86 1HB LYS 86 3.863 16.452 -11.438 666 2HB LYS 86 2HB LYS 86 4.865 17.375 -12.539 667 1HG LYS 86 1HG LYS 86 3.378 19.033 -11.837 668 2HG LYS 86 2HG LYS 86 2.563 18.473 -13.284 669 1HD LYS 86 1HD LYS 86 0.862 17.429 -12.101 670 2HD LYS 86 2HD LYS 86 1.906 16.990 -10.765 671 1HE LYS 86 1HE LYS 86 1.530 19.925 -11.088 672 2HE LYS 86 2HE LYS 86 0.054 19.056 -10.719 673 1HZ LYS 86 1HZ LYS 86 2.151 18.109 -9.120 674 2HZ LYS 86 2HZ LYS 86 2.047 19.732 -8.973 675 3HZ LYS 86 3HZ LYS 86 0.744 18.799 -8.659 676 H ASP 87 H ASP 87 4.987 14.076 -12.830 677 HA ASP 87 HA ASP 87 6.684 14.468 -15.165 678 1HB ASP 87 1HB ASP 87 7.241 14.047 -12.345 679 2HB ASP 87 2HB ASP 87 7.906 12.705 -13.255 680 H GLY 88 H GLY 88 4.336 12.477 -13.609 681 1HA GLY 88 1HA GLY 88 3.480 10.451 -14.065 682 2HA GLY 88 2HA GLY 88 4.292 10.526 -15.616 683 H LYS 89 H LYS 89 5.707 10.533 -12.279 684 HA LYS 89 HA LYS 89 6.979 7.975 -12.963 685 1HB LYS 89 1HB LYS 89 8.189 10.539 -12.031 686 2HB LYS 89 2HB LYS 89 8.834 9.057 -11.356 687 1HG LYS 89 1HG LYS 89 8.623 8.414 -14.057 688 2HG LYS 89 2HG LYS 89 9.038 10.114 -14.122 689 1HD LYS 89 1HD LYS 89 11.198 9.582 -13.694 690 2HD LYS 89 2HD LYS 89 10.723 8.992 -12.114 691 1HE LYS 89 1HE LYS 89 10.449 6.742 -12.905 692 2HE LYS 89 2HE LYS 89 10.407 7.244 -14.583 693 1HZ LYS 89 1HZ LYS 89 12.740 7.363 -12.803 694 2HZ LYS 89 2HZ LYS 89 12.530 6.350 -14.066 695 3HZ LYS 89 3HZ LYS 89 12.719 7.951 -14.326 696 H LEU 90 H LEU 90 8.028 7.125 -10.688 697 HA LEU 90 HA LEU 90 5.695 6.847 -9.001 698 1HB LEU 90 1HB LEU 90 8.315 5.421 -9.298 699 2HB LEU 90 2HB LEU 90 7.363 5.212 -7.842 700 HG LEU 90 HG LEU 90 6.501 4.566 -10.673 701 1HD1 LEU 90 1HD1 LEU 90 8.079 2.957 -9.770 702 2HD1 LEU 90 2HD1 LEU 90 7.097 2.784 -8.296 703 3HD1 LEU 90 3HD1 LEU 90 6.452 2.242 -9.864 704 1HD2 LEU 90 1HD2 LEU 90 4.466 5.137 -9.827 705 2HD2 LEU 90 2HD2 LEU 90 4.556 3.460 -9.236 706 3HD2 LEU 90 3HD2 LEU 90 4.943 4.811 -8.144 707 H LEU 91 H LEU 91 5.390 7.848 -7.069 708 HA LEU 91 HA LEU 91 7.681 9.380 -6.053 709 1HB LEU 91 1HB LEU 91 4.906 10.113 -5.301 710 2HB LEU 91 2HB LEU 91 6.320 11.121 -5.531 711 HG LEU 91 HG LEU 91 4.816 11.704 -7.247 712 1HD1 LEU 91 1HD1 LEU 91 6.049 10.373 -9.301 713 2HD1 LEU 91 2HD1 LEU 91 6.677 11.824 -8.482 714 3HD1 LEU 91 3HD1 LEU 91 7.234 10.208 -7.983 715 1HD2 LEU 91 1HD2 LEU 91 3.211 10.353 -7.957 716 2HD2 LEU 91 2HD2 LEU 91 4.413 9.295 -8.733 717 3HD2 LEU 91 3HD2 LEU 91 3.940 9.013 -7.040 718 H TRP 92 H TRP 92 5.585 6.711 -5.559 719 HA TRP 92 HA TRP 92 6.715 6.298 -2.951 720 1HB TRP 92 1HB TRP 92 4.873 7.719 -2.318 721 2HB TRP 92 2HB TRP 92 3.746 6.762 -3.259 722 HD1 TRP 92 HD TRP 92 5.806 6.542 0.010 723 HE1 TRP 92 1HE TRP 92 4.821 4.708 1.630 724 HE3 TRP 92 3HE TRP 92 2.401 4.706 -3.290 725 HZ2 TRP 92 2HZ TRP 92 2.774 2.738 1.356 726 HZ3 TRP 92 3HZ TRP 92 0.948 2.828 -2.534 727 HH2 TRP 92 HH TRP 92 1.093 1.847 -0.300 728 H GLU 93 H GLU 93 6.806 4.064 -2.520 729 HA GLU 93 HA GLU 93 5.152 2.322 -4.078 730 1HB GLU 93 1HB GLU 93 7.248 2.902 -5.481 731 2HB GLU 93 2HB GLU 93 8.166 1.990 -4.300 732 1HG GLU 93 1HG GLU 93 6.431 0.072 -4.727 733 2HG GLU 93 2HG GLU 93 5.979 0.981 -6.157 734 H GLN 94 H GLN 94 4.495 0.713 -2.716 735 HA GLN 94 HA GLN 94 6.393 -0.089 -0.660 736 1HB GLN 94 1HB GLN 94 4.019 1.362 -0.185 737 2HB GLN 94 2HB GLN 94 3.606 -0.290 0.231 738 1HG GLN 94 1HG GLN 94 5.905 1.372 1.351 739 2HG GLN 94 2HG GLN 94 4.506 0.778 2.223 740 1HE2 GLN 94 1HE2 GLN 94 4.252 -1.782 1.426 741 2HE2 GLN 94 2HE2 GLN 94 5.620 -2.738 1.888 742 H GLU 95 H GLU 95 6.512 -2.318 -0.288 743 HA GLU 95 HA GLU 95 5.104 -3.900 -2.226 744 1HB GLU 95 1HB GLU 95 7.643 -4.022 -0.985 745 2HB GLU 95 2HB GLU 95 6.773 -5.404 -0.349 746 1HG GLU 95 1HG GLU 95 6.633 -6.451 -2.410 747 2HG GLU 95 2HG GLU 95 6.472 -4.944 -3.291 748 H LEU 96 H LEU 96 2.926 -3.930 -1.491 749 HA LEU 96 HA LEU 96 1.927 -4.132 0.965 750 1HB LEU 96 1HB LEU 96 1.088 -5.517 -1.571 751 2HB LEU 96 2HB LEU 96 0.148 -5.641 -0.098 752 HG LEU 96 HG LEU 96 0.816 -3.071 -1.560 753 1HD1 LEU 96 1HD1 LEU 96 -0.770 -4.065 -2.911 754 2HD1 LEU 96 2HD1 LEU 96 -1.588 -4.868 -1.549 755 3HD1 LEU 96 3HD1 LEU 96 -1.781 -3.115 -1.796 756 1HD2 LEU 96 1HD2 LEU 96 -0.905 -2.096 0.021 757 2HD2 LEU 96 2HD2 LEU 96 -0.737 -3.586 0.982 758 3HD2 LEU 96 3HD2 LEU 96 0.668 -2.522 0.736 759 H TYR 97 H TYR 97 1.520 -5.703 2.565 760 HA TYR 97 HA TYR 97 3.015 -8.210 2.187 761 1HB TYR 97 1HB TYR 97 3.082 -7.781 4.877 762 2HB TYR 97 2HB TYR 97 4.289 -7.065 3.826 763 HD1 TYR 97 1HD TYR 97 1.915 -6.405 6.351 764 HD2 TYR 97 2HD TYR 97 3.653 -4.679 2.843 765 HE1 TYR 97 1HE TYR 97 1.249 -4.086 7.152 766 HE2 TYR 97 2HE TYR 97 2.981 -2.366 3.657 767 HH TYR 97 HH TYR 97 1.489 -1.937 6.834 768 H ASN 98 H ASN 98 2.248 -10.009 3.632 769 HA ASN 98 HA ASN 98 -0.416 -10.441 3.269 770 1HB ASN 98 1HB ASN 98 1.620 -12.019 4.014 771 2HB ASN 98 2HB ASN 98 1.024 -11.695 5.629 772 1HD2 ASN 98 1HD2 ASN 98 1.087 -14.187 4.187 773 2HD2 ASN 98 2HD2 ASN 98 -0.537 -14.777 4.059 774 H ASN 99 H ASN 99 1.295 -9.885 6.451 775 HA ASN 99 HA ASN 99 -1.088 -9.429 7.825 776 1HB ASN 99 1HB ASN 99 0.536 -8.460 9.598 777 2HB ASN 99 2HB ASN 99 0.818 -10.121 9.118 778 1HD2 ASN 99 1HD2 ASN 99 2.896 -9.176 10.197 779 2HD2 ASN 99 2HD2 ASN 99 4.129 -8.643 9.103 780 H PHE 100 H PHE 100 -1.890 -7.790 6.058 781 HA PHE 100 HA PHE 100 -0.881 -5.112 6.721 782 1HB PHE 100 1HB PHE 100 -0.454 -5.842 4.365 783 2HB PHE 100 2HB PHE 100 -2.124 -6.338 4.188 784 HD1 PHE 100 1HD PHE 100 -0.301 -3.241 5.236 785 HD2 PHE 100 2HD PHE 100 -3.424 -4.939 2.917 786 HE1 PHE 100 1HE PHE 100 -0.886 -0.965 4.356 787 HE2 PHE 100 2HE PHE 100 -4.009 -2.661 2.037 788 HZ PHE 100 HZ PHE 100 -2.732 -0.702 2.768 789 H VAL 101 H VAL 101 -2.339 -3.634 7.507 790 HA VAL 101 HA VAL 101 -5.174 -4.378 7.310 791 HB VAL 101 HB VAL 101 -3.609 -3.361 9.684 792 1HG1 VAL 101 1HG1 VAL 101 -5.973 -3.504 10.788 793 2HG1 VAL 101 2HG1 VAL 101 -5.522 -2.052 9.863 794 3HG1 VAL 101 3HG1 VAL 101 -6.568 -3.289 9.125 795 1HG2 VAL 101 1HG2 VAL 101 -3.458 -5.691 9.677 796 2HG2 VAL 101 2HG2 VAL 101 -4.867 -5.385 10.721 797 3HG2 VAL 101 3HG2 VAL 101 -5.105 -5.898 9.034 798 H TYR 102 H TYR 102 -6.666 -2.543 7.302 799 HA TYR 102 HA TYR 102 -5.323 -0.061 6.463 800 1HB TYR 102 1HB TYR 102 -6.934 -1.856 5.009 801 2HB TYR 102 2HB TYR 102 -8.125 -0.711 5.590 802 HD1 TYR 102 1HD TYR 102 -4.603 0.031 4.606 803 HD2 TYR 102 2HD TYR 102 -8.746 0.397 3.601 804 HE1 TYR 102 1HE TYR 102 -4.010 1.617 2.708 805 HE2 TYR 102 2HE TYR 102 -8.139 1.982 1.707 806 HH TYR 102 HH TYR 102 -6.559 3.135 0.765 807 H ASN 103 H ASN 103 -5.653 1.562 7.892 808 HA ASN 103 HA ASN 103 -8.033 1.369 9.540 809 1HB ASN 103 1HB ASN 103 -5.372 2.825 9.818 810 2HB ASN 103 2HB ASN 103 -6.745 3.317 10.787 811 1HD2 ASN 103 1HD2 ASN 103 -4.776 0.527 9.860 812 2HD2 ASN 103 2HD2 ASN 103 -4.922 -0.361 11.341 813 H SER 104 H SER 104 -9.545 3.147 9.593 814 HA SER 104 HA SER 104 -8.890 5.467 8.017 815 1HB SER 104 1HB SER 104 -11.468 3.943 7.471 816 2HB SER 104 2HB SER 104 -10.851 5.331 6.600 817 HG SER 104 HG SER 104 -8.877 3.658 6.350 818 HA PRO 105 HA PRO 105 -11.349 6.175 11.806 819 1HB PRO 105 1HB PRO 105 -9.558 7.733 13.159 820 2HB PRO 105 2HB PRO 105 -9.704 6.005 13.408 821 1HG PRO 105 1HG PRO 105 -7.607 7.497 11.954 822 2HG PRO 105 2HG PRO 105 -7.559 5.860 12.574 823 1HD PRO 105 1HD PRO 105 -7.925 6.651 9.840 824 2HD PRO 105 2HD PRO 105 -7.993 5.019 10.477 825 H ARG 106 H ARG 106 -10.116 7.889 9.273 826 HA ARG 106 HA ARG 106 -11.556 10.249 10.175 827 1HB ARG 106 1HB ARG 106 -9.012 9.875 8.804 828 2HB ARG 106 2HB ARG 106 -10.078 10.818 7.781 829 1HG ARG 106 1HG ARG 106 -10.034 11.592 10.675 830 2HG ARG 106 2HG ARG 106 -8.556 11.898 9.785 831 1HD ARG 106 1HD ARG 106 -11.022 12.707 8.329 832 2HD ARG 106 2HD ARG 106 -10.764 13.582 9.825 833 HE ARG 106 HE ARG 106 -8.361 13.371 8.147 834 1HH1 ARG 106 2HH2 ARG 106 -11.239 15.262 8.871 835 2HH1 ARG 106 1HH2 ARG 106 -10.597 16.728 8.209 836 1HH2 ARG 106 2HH1 ARG 106 -7.513 15.306 7.276 837 2HH2 ARG 106 1HH1 ARG 106 -8.464 16.754 7.296 838 H GLY 107 H GLY 107 -12.571 11.525 8.194 839 1HA GLY 107 1HA GLY 107 -14.610 10.079 7.079 840 2HA GLY 107 2HA GLY 107 -13.985 11.588 6.444 841 H TYR 108 H TYR 108 -11.724 11.288 5.216 842 HA TYR 108 HA TYR 108 -11.809 8.790 3.684 843 1HB TYR 108 1HB TYR 108 -11.308 10.454 1.697 844 2HB TYR 108 2HB TYR 108 -12.961 10.390 2.275 845 HD1 TYR 108 1HD TYR 108 -13.606 12.142 4.128 846 HD2 TYR 108 2HD TYR 108 -10.218 12.516 1.542 847 HE1 TYR 108 1HE TYR 108 -13.548 14.648 4.555 848 HE2 TYR 108 2HE TYR 108 -10.171 15.020 1.978 849 HH TYR 108 HH TYR 108 -12.152 16.459 4.439 850 H PHE 109 H PHE 109 -10.028 9.082 5.741 851 HA PHE 109 HA PHE 109 -7.549 9.479 4.259 852 1HB PHE 109 1HB PHE 109 -8.197 11.530 5.679 853 2HB PHE 109 2HB PHE 109 -8.188 10.495 7.093 854 HD1 PHE 109 1HD PHE 109 -6.121 12.213 4.621 855 HD2 PHE 109 2HD PHE 109 -6.089 9.667 8.016 856 HE1 PHE 109 1HE PHE 109 -3.670 12.654 4.930 857 HE2 PHE 109 2HE PHE 109 -3.637 10.108 8.325 858 HZ PHE 109 HZ PHE 109 -2.457 11.597 6.777 859 H HIS 110 H HIS 110 -6.764 7.409 4.242 860 HA HIS 110 HA HIS 110 -7.062 5.861 6.692 861 1HB HIS 110 1HB HIS 110 -6.056 4.847 4.033 862 2HB HIS 110 2HB HIS 110 -6.697 3.923 5.376 863 HD2 HIS 110 2HD HIS 110 -9.324 6.400 5.331 864 HE1 HIS 110 1HE HIS 110 -10.383 3.945 2.021 865 HE2 HIS 110 2HE HIS 110 -11.182 5.719 3.727 866 H THR 111 H THR 111 -5.268 4.994 7.810 867 HA THR 111 HA THR 111 -2.663 6.044 6.918 868 HB THR 111 HB THR 111 -2.213 6.239 9.439 869 HG1 THR 111 1HG THR 111 -4.125 4.749 9.831 870 1HG2 THR 111 1HG2 THR 111 -3.882 7.960 7.778 871 2HG2 THR 111 2HG2 THR 111 -4.486 7.978 9.452 872 3HG2 THR 111 3HG2 THR 111 -2.797 8.423 9.111 873 H PHE 112 H PHE 112 -0.790 4.773 7.470 874 HA PHE 112 HA PHE 112 -1.188 2.171 8.564 875 1HB PHE 112 1HB PHE 112 -0.671 0.960 6.478 876 2HB PHE 112 2HB PHE 112 -2.021 2.025 6.140 877 HD1 PHE 112 1HD PHE 112 -1.409 4.362 5.145 878 HD2 PHE 112 2HD PHE 112 1.193 1.010 5.096 879 HE1 PHE 112 1HE PHE 112 -0.126 5.385 3.245 880 HE2 PHE 112 2HE PHE 112 2.475 2.033 3.196 881 HZ PHE 112 HZ PHE 112 1.800 4.209 2.294 882 H ALA 113 H ALA 113 1.005 0.830 8.101 883 HA ALA 113 HA ALA 113 3.090 2.602 8.992 884 1HB ALA 113 1HB ALA 113 3.056 0.594 10.180 885 2HB ALA 113 2HB ALA 113 2.677 -0.375 8.736 886 3HB ALA 113 3HB ALA 113 4.318 0.273 8.966 887 H GLY 114 H GLY 114 5.004 3.114 7.886 888 1HA GLY 114 1HA GLY 114 4.884 2.620 4.986 889 2HA GLY 114 2HA GLY 114 5.718 3.934 5.789 890 H ASP 115 H ASP 115 7.451 2.979 4.206 891 HA ASP 115 HA ASP 115 8.622 0.636 4.343 892 1HB ASP 115 1HB ASP 115 9.395 3.256 3.593 893 2HB ASP 115 2HB ASP 115 10.682 2.710 4.650 894 H THR 116 H THR 116 9.940 3.389 6.342 895 HA THR 116 HA THR 116 10.372 1.466 8.531 896 HB THR 116 HB THR 116 12.529 1.897 7.490 897 HG1 THR 116 1HG THR 116 12.204 2.204 9.897 898 1HG2 THR 116 1HG2 THR 116 12.056 3.942 6.193 899 2HG2 THR 116 2HG2 THR 116 11.725 4.847 7.690 900 3HG2 THR 116 3HG2 THR 116 13.376 4.284 7.338 901 H CYS 117 H CYS 117 8.758 4.235 7.448 902 HA CYS 117 HA CYS 117 8.359 5.028 10.236 903 1HB CYS 117 1HB CYS 117 8.721 6.860 7.848 904 2HB CYS 117 2HB CYS 117 8.032 7.390 9.370 905 HG CYS 117 HG CYS 117 10.102 7.904 10.380 906 H GLN 118 H GLN 118 6.153 6.098 10.531 907 HA GLN 118 HA GLN 118 4.243 4.566 9.089 908 1HB GLN 118 1HB GLN 118 4.259 5.316 11.616 909 2HB GLN 118 2HB GLN 118 3.553 6.802 11.013 910 1HG GLN 118 1HG GLN 118 2.309 4.298 9.962 911 2HG GLN 118 2HG GLN 118 2.100 4.563 11.682 912 1HE2 GLN 118 1HE2 GLN 118 0.394 5.656 12.251 913 2HE2 GLN 118 2HE2 GLN 118 -0.452 6.851 11.326 914 H VAL 119 H VAL 119 2.917 5.214 7.409 915 HA VAL 119 HA VAL 119 3.008 8.069 6.721 916 HB VAL 119 HB VAL 119 2.940 7.322 4.338 917 1HG1 VAL 119 1HG1 VAL 119 5.482 6.195 5.396 918 2HG1 VAL 119 2HG1 VAL 119 5.204 7.465 4.182 919 3HG1 VAL 119 3HG1 VAL 119 5.065 7.846 5.914 920 1HG2 VAL 119 1HG2 VAL 119 2.172 4.971 4.900 921 2HG2 VAL 119 2HG2 VAL 119 3.488 5.090 3.708 922 3HG2 VAL 119 3HG2 VAL 119 3.849 4.628 5.389 923 H ALA 120 H ALA 120 1.087 8.818 5.500 924 HA ALA 120 HA ALA 120 -1.228 7.059 5.900 925 1HB ALA 120 1HB ALA 120 -2.465 9.213 6.532 926 2HB ALA 120 2HB ALA 120 -1.334 8.567 7.745 927 3HB ALA 120 3HB ALA 120 -0.860 9.955 6.736 928 H LEU 121 H LEU 121 -3.044 7.557 4.439 929 HA LEU 121 HA LEU 121 -2.126 9.018 2.060 930 1HB LEU 121 1HB LEU 121 -3.433 7.403 0.729 931 2HB LEU 121 2HB LEU 121 -2.037 6.714 1.535 932 HG LEU 121 HG LEU 121 -4.693 6.508 2.900 933 1HD1 LEU 121 1HD1 LEU 121 -5.612 4.942 1.542 934 2HD1 LEU 121 2HD1 LEU 121 -4.716 5.858 0.308 935 3HD1 LEU 121 3HD1 LEU 121 -4.037 4.349 0.962 936 1HD2 LEU 121 1HD2 LEU 121 -2.248 5.671 3.614 937 2HD2 LEU 121 2HD2 LEU 121 -3.742 4.819 4.071 938 3HD2 LEU 121 3HD2 LEU 121 -2.778 4.246 2.689 939 H ASN 122 H ASN 122 -3.582 10.445 1.107 940 HA ASN 122 HA ASN 122 -6.150 10.618 2.473 941 1HB ASN 122 1HB ASN 122 -4.505 12.459 3.135 942 2HB ASN 122 2HB ASN 122 -4.479 12.977 1.461 943 1HD2 ASN 122 1HD2 ASN 122 -5.295 14.498 3.722 944 2HD2 ASN 122 2HD2 ASN 122 -6.957 14.941 3.525 945 H PHE 123 H PHE 123 -7.741 10.206 0.933 946 HA PHE 123 HA PHE 123 -7.129 10.303 -1.836 947 1HB PHE 123 1HB PHE 123 -9.792 10.114 -0.305 948 2HB PHE 123 2HB PHE 123 -9.557 9.629 -1.973 949 HD1 PHE 123 1HD PHE 123 -8.159 7.630 -2.487 950 HD2 PHE 123 2HD PHE 123 -9.206 8.666 1.493 951 HE1 PHE 123 1HE PHE 123 -7.577 5.308 -1.728 952 HE2 PHE 123 2HE PHE 123 -8.623 6.345 2.251 953 HZ PHE 123 HZ PHE 123 -7.816 4.693 0.631 954 H ALA 124 H ALA 124 -8.533 11.503 -3.449 955 HA ALA 124 HA ALA 124 -8.660 14.272 -2.626 956 1HB ALA 124 1HB ALA 124 -9.536 13.875 -5.317 957 2HB ALA 124 2HB ALA 124 -7.983 14.535 -4.749 958 3HB ALA 124 3HB ALA 124 -8.155 12.787 -5.036 959 H ASN 125 H ASN 125 -10.795 11.528 -3.388 960 HA ASN 125 HA ASN 125 -13.042 13.331 -2.933 961 1HB ASN 125 1HB ASN 125 -12.605 11.743 -5.165 962 2HB ASN 125 2HB ASN 125 -13.572 10.664 -4.180 963 1HD2 ASN 125 1HD2 ASN 125 -15.695 10.979 -3.955 964 2HD2 ASN 125 2HD2 ASN 125 -16.602 12.285 -4.642 965 H GLU 126 H GLU 126 -14.856 12.354 -1.644 966 HA GLU 126 HA GLU 126 -13.825 10.725 0.430 967 1HB GLU 126 1HB GLU 126 -15.409 12.528 0.928 968 2HB GLU 126 2HB GLU 126 -16.617 11.817 -0.123 969 1HG GLU 126 1HG GLU 126 -17.250 10.259 1.438 970 2HG GLU 126 2HG GLU 126 -15.600 9.933 1.931 971 H GLU 127 H GLU 127 -16.388 10.346 -2.113 972 HA GLU 127 HA GLU 127 -17.155 7.814 -1.426 973 1HB GLU 127 1HB GLU 127 -17.074 9.223 -4.123 974 2HB GLU 127 2HB GLU 127 -17.819 7.652 -3.908 975 1HG GLU 127 1HG GLU 127 -19.689 8.586 -3.028 976 2HG GLU 127 2HG GLU 127 -18.754 9.430 -1.810 977 H GLU 128 H GLU 128 -14.580 8.882 -3.747 978 HA GLU 128 HA GLU 128 -13.860 6.390 -4.614 979 1HB GLU 128 1HB GLU 128 -12.427 9.033 -4.357 980 2HB GLU 128 2HB GLU 128 -11.500 7.621 -4.825 981 1HG GLU 128 1HG GLU 128 -12.384 8.862 -6.807 982 2HG GLU 128 2HG GLU 128 -12.970 7.212 -6.747 983 H ALA 129 H ALA 129 -13.234 8.016 -1.537 984 HA ALA 129 HA ALA 129 -11.093 6.255 -0.799 985 1HB ALA 129 1HB ALA 129 -11.386 8.660 -0.048 986 2HB ALA 129 2HB ALA 129 -12.752 8.107 0.950 987 3HB ALA 129 3HB ALA 129 -11.113 7.490 1.266 988 H LYS 130 H LYS 130 -14.635 6.541 -0.285 989 HA LYS 130 HA LYS 130 -14.782 4.530 1.678 990 1HB LYS 130 1HB LYS 130 -16.491 6.407 0.625 991 2HB LYS 130 2HB LYS 130 -17.144 4.924 -0.042 992 1HG LYS 130 1HG LYS 130 -16.670 4.124 2.546 993 2HG LYS 130 2HG LYS 130 -17.006 5.824 2.804 994 1HD LYS 130 1HD LYS 130 -19.092 5.429 1.258 995 2HD LYS 130 2HD LYS 130 -18.811 3.725 1.552 996 1HE LYS 130 1HE LYS 130 -18.641 4.869 4.117 997 2HE LYS 130 2HE LYS 130 -19.935 5.770 3.355 998 1HZ LYS 130 1HZ LYS 130 -21.236 4.008 3.461 999 2HZ LYS 130 2HZ LYS 130 -20.127 3.007 2.800 1000 3HZ LYS 130 3HZ LYS 130 -20.122 3.284 4.410 1001 H LYS 131 H LYS 131 -15.056 4.530 -1.920 1002 HA LYS 131 HA LYS 131 -15.694 1.779 -2.062 1003 1HB LYS 131 1HB LYS 131 -15.297 2.058 -4.460 1004 2HB LYS 131 2HB LYS 131 -16.309 3.339 -3.823 1005 1HG LYS 131 1HG LYS 131 -14.814 4.639 -5.026 1006 2HG LYS 131 2HG LYS 131 -13.951 4.585 -3.502 1007 1HD LYS 131 1HD LYS 131 -12.252 3.954 -4.977 1008 2HD LYS 131 2HD LYS 131 -12.860 2.382 -4.497 1009 1HE LYS 131 1HE LYS 131 -14.474 2.610 -6.559 1010 2HE LYS 131 2HE LYS 131 -13.396 3.890 -7.081 1011 1HZ LYS 131 1HZ LYS 131 -12.060 2.333 -7.833 1012 2HZ LYS 131 2HZ LYS 131 -11.822 1.757 -6.324 1013 3HZ LYS 131 3HZ LYS 131 -13.014 1.140 -7.255 1014 H PHE 132 H PHE 132 -12.720 3.635 -1.679 1015 HA PHE 132 HA PHE 132 -10.940 1.718 -2.667 1016 1HB PHE 132 1HB PHE 132 -10.904 4.302 -1.617 1017 2HB PHE 132 2HB PHE 132 -10.214 3.404 -0.279 1018 HD1 PHE 132 1HD PHE 132 -8.007 2.481 -0.415 1019 HD2 PHE 132 2HD PHE 132 -9.750 4.345 -3.806 1020 HE1 PHE 132 1HE PHE 132 -5.767 2.515 -1.548 1021 HE2 PHE 132 2HE PHE 132 -7.510 4.379 -4.939 1022 HZ PHE 132 HZ PHE 132 -5.546 3.463 -3.796 1023 H ARG 133 H ARG 133 -11.937 2.479 0.751 1024 HA ARG 133 HA ARG 133 -10.503 0.390 1.839 1025 1HB ARG 133 1HB ARG 133 -11.799 2.488 2.899 1026 2HB ARG 133 2HB ARG 133 -13.093 1.322 3.102 1027 1HG ARG 133 1HG ARG 133 -11.149 -0.200 4.126 1028 2HG ARG 133 2HG ARG 133 -10.341 1.337 4.357 1029 1HD ARG 133 1HD ARG 133 -11.619 1.776 6.181 1030 2HD ARG 133 2HD ARG 133 -13.082 1.638 5.227 1031 HE ARG 133 HE ARG 133 -11.935 -0.964 5.910 1032 1HH1 ARG 133 2HH2 ARG 133 -14.021 1.635 7.043 1033 2HH1 ARG 133 1HH2 ARG 133 -14.897 0.623 8.143 1034 1HH2 ARG 133 2HH1 ARG 133 -13.092 -2.297 7.362 1035 2HH2 ARG 133 1HH1 ARG 133 -14.365 -1.628 8.325 1036 H LYS 134 H LYS 134 -13.665 0.557 0.251 1037 HA LYS 134 HA LYS 134 -14.688 -1.860 1.319 1038 1HB LYS 134 1HB LYS 134 -15.613 0.275 -0.288 1039 2HB LYS 134 2HB LYS 134 -15.795 -1.171 -1.259 1040 1HG LYS 134 1HG LYS 134 -17.040 -2.290 0.559 1041 2HG LYS 134 2HG LYS 134 -16.767 -0.928 1.628 1042 1HD LYS 134 1HD LYS 134 -18.641 0.063 0.832 1043 2HD LYS 134 2HD LYS 134 -17.908 0.159 -0.757 1044 1HE LYS 134 1HE LYS 134 -18.681 -2.226 -1.192 1045 2HE LYS 134 2HE LYS 134 -19.524 -2.189 0.344 1046 1HZ LYS 134 1HZ LYS 134 -20.939 -1.586 -1.509 1047 2HZ LYS 134 2HZ LYS 134 -20.817 -0.350 -0.449 1048 3HZ LYS 134 3HZ LYS 134 -19.994 -0.301 -1.858 1049 H ALA 135 H ALA 135 -12.644 -0.958 -1.472 1050 HA ALA 135 HA ALA 135 -12.825 -3.516 -2.700 1051 1HB ALA 135 1HB ALA 135 -10.713 -1.350 -3.023 1052 2HB ALA 135 2HB ALA 135 -11.117 -2.641 -4.179 1053 3HB ALA 135 3HB ALA 135 -12.288 -1.342 -3.851 1054 H VAL 136 H VAL 136 -10.322 -1.819 -0.689 1055 HA VAL 136 HA VAL 136 -8.462 -3.831 -0.629 1056 HB VAL 136 HB VAL 136 -9.274 -1.744 1.391 1057 1HG1 VAL 136 1HG1 VAL 136 -8.198 -3.618 2.583 1058 2HG1 VAL 136 2HG1 VAL 136 -6.805 -3.512 1.479 1059 3HG1 VAL 136 3HG1 VAL 136 -7.176 -2.160 2.575 1060 1HG2 VAL 136 1HG2 VAL 136 -8.280 -1.160 -0.912 1061 2HG2 VAL 136 2HG2 VAL 136 -7.516 -0.445 0.527 1062 3HG2 VAL 136 3HG2 VAL 136 -6.759 -1.838 -0.281 1063 H THR 137 H THR 137 -11.043 -3.215 1.866 1064 HA THR 137 HA THR 137 -10.621 -5.504 3.339 1065 HB THR 137 HB THR 137 -13.043 -5.094 4.023 1066 HG1 THR 137 1HG THR 137 -12.864 -2.818 2.251 1067 1HG2 THR 137 1HG2 THR 137 -12.741 -2.609 4.591 1068 2HG2 THR 137 2HG2 THR 137 -11.423 -3.664 5.155 1069 3HG2 THR 137 3HG2 THR 137 -11.205 -2.670 3.695 1070 H ASP 138 H ASP 138 -12.791 -5.064 0.478 1071 HA ASP 138 HA ASP 138 -13.898 -7.537 0.504 1072 1HB ASP 138 1HB ASP 138 -13.385 -5.414 -1.482 1073 2HB ASP 138 2HB ASP 138 -13.437 -7.001 -2.222 1074 H LEU 139 H LEU 139 -10.720 -6.401 -0.771 1075 HA LEU 139 HA LEU 139 -10.058 -8.851 -2.029 1076 1HB LEU 139 1HB LEU 139 -9.096 -6.812 -2.797 1077 2HB LEU 139 2HB LEU 139 -8.466 -6.427 -1.209 1078 HG LEU 139 HG LEU 139 -7.555 -8.841 -2.789 1079 1HD1 LEU 139 1HD1 LEU 139 -7.009 -6.051 -3.297 1080 2HD1 LEU 139 2HD1 LEU 139 -5.520 -6.908 -2.830 1081 3HD1 LEU 139 3HD1 LEU 139 -6.493 -7.496 -4.199 1082 1HD2 LEU 139 1HD2 LEU 139 -5.482 -8.319 -1.250 1083 2HD2 LEU 139 2HD2 LEU 139 -6.713 -7.525 -0.238 1084 3HD2 LEU 139 3HD2 LEU 139 -6.871 -9.251 -0.641 1085 H LEU 140 H LEU 140 -9.217 -7.318 1.142 1086 HA LEU 140 HA LEU 140 -7.570 -9.407 1.999 1087 1HB LEU 140 1HB LEU 140 -8.872 -7.032 3.152 1088 2HB LEU 140 2HB LEU 140 -8.557 -8.320 4.296 1089 HG LEU 140 HG LEU 140 -6.198 -7.965 2.723 1090 1HD1 LEU 140 1HD1 LEU 140 -5.952 -5.489 3.843 1091 2HD1 LEU 140 2HD1 LEU 140 -6.334 -5.806 2.134 1092 3HD1 LEU 140 3HD1 LEU 140 -7.643 -5.463 3.289 1093 1HD2 LEU 140 1HD2 LEU 140 -5.667 -6.937 5.232 1094 2HD2 LEU 140 2HD2 LEU 140 -7.037 -8.036 5.520 1095 3HD2 LEU 140 3HD2 LEU 140 -5.554 -8.645 4.746 1096 H GLY 141 H GLY 141 -11.097 -8.953 1.955 1097 1HA GLY 141 1HA GLY 141 -11.796 -10.925 3.828 1098 2HA GLY 141 2HA GLY 141 -12.791 -10.317 2.520 1099 H ARG 142 H ARG 142 -11.142 -11.049 0.271 1100 HA ARG 142 HA ARG 142 -11.924 -13.739 0.086 1101 1HB ARG 142 1HB ARG 142 -11.137 -11.629 -1.694 1102 2HB ARG 142 2HB ARG 142 -10.057 -12.972 -2.014 1103 1HG ARG 142 1HG ARG 142 -12.397 -14.350 -1.880 1104 2HG ARG 142 2HG ARG 142 -13.034 -12.795 -2.377 1105 1HD ARG 142 1HD ARG 142 -11.386 -12.770 -4.295 1106 2HD ARG 142 2HD ARG 142 -10.840 -14.365 -3.817 1107 HE ARG 142 HE ARG 142 -13.706 -14.376 -4.119 1108 1HH1 ARG 142 2HH2 ARG 142 -10.741 -14.292 -6.013 1109 2HH1 ARG 142 1HH2 ARG 142 -11.458 -15.037 -7.403 1110 1HH2 ARG 142 2HH1 ARG 142 -14.651 -15.359 -5.952 1111 2HH2 ARG 142 1HH1 ARG 142 -13.696 -15.649 -7.369 1112 H ARG 143 H ARG 143 -8.886 -11.984 0.737 1113 HA ARG 143 HA ARG 143 -7.102 -13.976 0.160 1114 1HB ARG 143 1HB ARG 143 -6.664 -11.519 0.836 1115 2HB ARG 143 2HB ARG 143 -6.845 -12.030 2.501 1116 1HG ARG 143 1HG ARG 143 -4.484 -12.097 2.029 1117 2HG ARG 143 2HG ARG 143 -5.020 -13.765 2.091 1118 1HD ARG 143 1HD ARG 143 -5.418 -13.198 -0.584 1119 2HD ARG 143 2HD ARG 143 -4.037 -12.177 -0.237 1120 HE ARG 143 HE ARG 143 -4.027 -15.061 -0.411 1121 1HH1 ARG 143 2HH2 ARG 143 -2.546 -12.387 1.332 1122 2HH1 ARG 143 1HH2 ARG 143 -1.091 -13.258 1.689 1123 1HH2 ARG 143 2HH1 ARG 143 -2.109 -16.211 0.060 1124 2HH2 ARG 143 1HH1 ARG 143 -0.841 -15.447 0.960 1125 H GLN 144 H GLN 144 -6.626 -15.940 1.124 1126 HA GLN 144 HA GLN 144 -6.344 -17.424 2.729 1127 1HB GLN 144 1HB GLN 144 -6.461 -15.235 4.321 1128 2HB GLN 144 2HB GLN 144 -7.951 -16.006 4.830 1129 1HG GLN 144 1HG GLN 144 -6.777 -18.052 5.448 1130 2HG GLN 144 2HG GLN 144 -5.291 -17.494 4.706 1131 1HE2 GLN 144 1HE2 GLN 144 -7.711 -16.538 7.131 1132 2HE2 GLN 144 2HE2 GLN 144 -6.614 -15.854 8.283 Start of MODEL 15 1 1H ASP 1 H ASP 1 -10.103 19.658 9.699 2 HA ASP 1 HA ASP 1 -8.012 19.636 10.276 3 1HB ASP 1 1HB ASP 1 -9.163 18.467 12.834 4 2HB ASP 1 2HB ASP 1 -7.429 18.626 12.637 5 H LEU 2 H LEU 2 -6.085 18.099 10.492 6 HA LEU 2 HA LEU 2 -6.744 15.576 9.294 7 1HB LEU 2 1HB LEU 2 -4.145 16.930 10.010 8 2HB LEU 2 2HB LEU 2 -4.232 15.330 9.298 9 HG LEU 2 HG LEU 2 -5.771 16.771 7.548 10 1HD1 LEU 2 1HD1 LEU 2 -5.447 18.954 7.808 11 2HD1 LEU 2 2HD1 LEU 2 -4.182 18.689 9.030 12 3HD1 LEU 2 3HD1 LEU 2 -3.760 18.695 7.301 13 1HD2 LEU 2 1HD2 LEU 2 -4.100 15.173 6.889 14 2HD2 LEU 2 2HD2 LEU 2 -3.778 16.717 6.065 15 3HD2 LEU 2 3HD2 LEU 2 -2.792 16.234 7.466 16 HA PRO 3 HA PRO 3 -6.493 13.146 12.850 17 1HB PRO 3 1HB PRO 3 -5.453 10.792 11.927 18 2HB PRO 3 2HB PRO 3 -7.133 11.246 11.717 19 1HG PRO 3 1HG PRO 3 -4.950 11.244 9.723 20 2HG PRO 3 2HG PRO 3 -6.681 11.276 9.455 21 1HD PRO 3 1HD PRO 3 -4.869 13.488 9.236 22 2HD PRO 3 2HD PRO 3 -6.614 13.544 9.082 23 HA PRO 4 HA PRO 4 -2.700 13.375 14.737 24 1HB PRO 4 1HB PRO 4 -2.997 11.709 16.882 25 2HB PRO 4 2HB PRO 4 -3.617 13.348 16.848 26 1HG PRO 4 1HG PRO 4 -5.095 10.801 16.585 27 2HG PRO 4 2HG PRO 4 -5.713 12.394 16.976 28 1HD PRO 4 1HD PRO 4 -5.912 11.049 14.451 29 2HD PRO 4 2HD PRO 4 -6.427 12.685 14.810 30 HA PRO 5 HA PRO 5 -0.312 10.220 13.163 31 1HB PRO 5 1HB PRO 5 2.168 11.141 13.848 32 2HB PRO 5 2HB PRO 5 1.306 11.680 12.421 33 1HG PRO 5 1HG PRO 5 1.729 13.105 14.975 34 2HG PRO 5 2HG PRO 5 1.260 13.759 13.419 35 1HD PRO 5 1HD PRO 5 -0.451 13.300 15.675 36 2HD PRO 5 2HD PRO 5 -0.940 13.843 14.082 37 H GLU 6 H GLU 6 0.103 8.186 13.780 38 HA GLU 6 HA GLU 6 0.283 7.874 16.636 39 1HB GLU 6 1HB GLU 6 0.142 5.374 15.963 40 2HB GLU 6 2HB GLU 6 -1.271 6.370 15.681 41 1HG GLU 6 1HG GLU 6 -1.044 6.294 13.378 42 2HG GLU 6 2HG GLU 6 0.707 6.296 13.439 43 HA PRO 7 HA PRO 7 4.596 7.278 16.436 44 1HB PRO 7 1HB PRO 7 5.032 6.511 19.022 45 2HB PRO 7 2HB PRO 7 4.887 8.187 18.531 46 1HG PRO 7 1HG PRO 7 2.924 6.495 19.953 47 2HG PRO 7 2HG PRO 7 2.982 8.242 19.830 48 1HD PRO 7 1HD PRO 7 1.230 6.480 18.398 49 2HD PRO 7 2HD PRO 7 1.370 8.215 18.192 50 H TYR 8 H TYR 8 5.617 5.748 15.327 51 HA TYR 8 HA TYR 8 4.832 3.010 16.033 52 1HB TYR 8 1HB TYR 8 5.023 4.497 13.629 53 2HB TYR 8 2HB TYR 8 6.534 3.609 13.641 54 HD1 TYR 8 1HD TYR 8 6.604 1.283 13.119 55 HD2 TYR 8 2HD TYR 8 2.837 3.221 13.717 56 HE1 TYR 8 1HE TYR 8 5.399 -0.764 12.210 57 HE2 TYR 8 2HE TYR 8 1.645 1.168 12.807 58 HH TYR 8 HH TYR 8 3.306 -1.799 12.288 59 H VAL 9 H VAL 9 6.264 1.708 17.066 60 HA VAL 9 HA VAL 9 8.967 2.720 17.404 61 HB VAL 9 HB VAL 9 9.023 0.690 18.993 62 1HG1 VAL 9 1HG1 VAL 9 8.110 3.373 19.270 63 2HG1 VAL 9 2HG1 VAL 9 7.074 2.346 20.289 64 3HG1 VAL 9 3HG1 VAL 9 8.841 2.318 20.504 65 1HG2 VAL 9 1HG2 VAL 9 6.857 -0.226 17.902 66 2HG2 VAL 9 2HG2 VAL 9 7.021 -0.310 19.672 67 3HG2 VAL 9 3HG2 VAL 9 6.019 0.959 18.931 68 H GLN 10 H GLN 10 10.845 1.536 16.820 69 HA GLN 10 HA GLN 10 10.923 0.425 14.425 70 1HB GLN 10 1HB GLN 10 12.692 0.663 16.616 71 2HB GLN 10 2HB GLN 10 12.755 -1.034 16.182 72 1HG GLN 10 1HG GLN 10 12.916 -0.056 13.691 73 2HG GLN 10 2HG GLN 10 13.488 1.379 14.519 74 1HE2 GLN 10 1HE2 GLN 10 15.187 1.009 16.205 75 2HE2 GLN 10 2HE2 GLN 10 16.461 -0.110 15.847 76 H THR 11 H THR 11 10.405 -1.496 13.399 77 HA THR 11 HA THR 11 9.971 -3.881 14.974 78 HB THR 11 HB THR 11 7.780 -2.897 15.254 79 HG1 THR 11 1HG THR 11 7.737 -4.446 12.767 80 1HG2 THR 11 1HG2 THR 11 6.787 -2.583 12.611 81 2HG2 THR 11 2HG2 THR 11 7.078 -1.283 13.792 82 3HG2 THR 11 3HG2 THR 11 8.347 -1.726 12.624 83 H THR 12 H THR 12 9.237 -5.732 13.422 84 HA THR 12 HA THR 12 10.560 -5.301 10.827 85 HB THR 12 HB THR 12 12.173 -6.518 12.105 86 HG1 THR 12 1HG THR 12 10.355 -8.560 11.061 87 1HG2 THR 12 1HG2 THR 12 11.344 -7.347 14.107 88 2HG2 THR 12 2HG2 THR 12 9.739 -7.676 13.413 89 3HG2 THR 12 3HG2 THR 12 11.078 -8.816 13.138 90 H LYS 13 H LYS 13 9.638 -6.250 9.033 91 HA LYS 13 HA LYS 13 7.140 -7.698 9.570 92 1HB LYS 13 1HB LYS 13 7.657 -5.360 7.752 93 2HB LYS 13 2HB LYS 13 6.436 -6.539 7.320 94 1HG LYS 13 1HG LYS 13 5.034 -5.346 8.661 95 2HG LYS 13 2HG LYS 13 5.865 -6.108 10.003 96 1HD LYS 13 1HD LYS 13 6.109 -3.857 10.576 97 2HD LYS 13 2HD LYS 13 7.606 -4.127 9.705 98 1HE LYS 13 1HE LYS 13 7.037 -2.570 8.156 99 2HE LYS 13 2HE LYS 13 5.559 -3.434 7.780 100 1HZ LYS 13 1HZ LYS 13 5.736 -1.048 9.042 101 2HZ LYS 13 2HZ LYS 13 4.401 -1.983 8.947 102 3HZ LYS 13 3HZ LYS 13 5.375 -2.081 10.254 103 H SER 14 H SER 14 6.606 -9.375 8.067 104 HA SER 14 HA SER 14 8.941 -10.190 6.522 105 1HB SER 14 1HB SER 14 6.825 -11.759 8.017 106 2HB SER 14 2HB SER 14 7.713 -12.516 6.709 107 HG SER 14 HG SER 14 9.355 -11.138 8.518 108 H TYR 15 H TYR 15 8.703 -10.130 4.316 109 HA TYR 15 HA TYR 15 6.000 -9.809 3.271 110 1HB TYR 15 1HB TYR 15 8.882 -9.528 2.226 111 2HB TYR 15 2HB TYR 15 7.497 -9.309 1.175 112 HD1 TYR 15 1HD TYR 15 6.921 -7.111 0.749 113 HD2 TYR 15 2HD TYR 15 8.583 -8.092 4.567 114 HE1 TYR 15 1HE TYR 15 6.791 -4.668 1.441 115 HE2 TYR 15 2HE TYR 15 8.447 -5.647 5.247 116 HH TYR 15 HH TYR 15 6.589 -3.468 3.775 117 HA PRO 16 HA PRO 16 5.971 -13.823 1.644 118 1HB PRO 16 1HB PRO 16 3.981 -13.577 -0.211 119 2HB PRO 16 2HB PRO 16 3.673 -13.817 1.497 120 1HG PRO 16 1HG PRO 16 3.405 -11.348 -0.105 121 2HG PRO 16 2HG PRO 16 2.716 -11.720 1.463 122 1HD PRO 16 1HD PRO 16 4.979 -10.038 0.938 123 2HD PRO 16 2HD PRO 16 4.361 -10.503 2.511 124 H SER 17 H SER 17 5.823 -11.316 -0.837 125 HA SER 17 HA SER 17 6.879 -12.940 -2.813 126 1HB SER 17 1HB SER 17 7.232 -10.867 -4.061 127 2HB SER 17 2HB SER 17 5.700 -10.783 -3.216 128 HG SER 17 HG SER 17 8.109 -9.721 -2.038 129 H LYS 18 H LYS 18 8.314 -11.639 0.026 130 HA LYS 18 HA LYS 18 10.950 -12.334 -1.010 131 1HB LYS 18 1HB LYS 18 10.302 -9.729 -0.941 132 2HB LYS 18 2HB LYS 18 10.794 -9.917 0.730 133 1HG LYS 18 1HG LYS 18 12.902 -11.145 -0.263 134 2HG LYS 18 2HG LYS 18 12.437 -10.398 -1.779 135 1HD LYS 18 1HD LYS 18 12.609 -8.160 -0.819 136 2HD LYS 18 2HD LYS 18 12.808 -8.806 0.798 137 1HE LYS 18 1HE LYS 18 15.049 -9.040 0.503 138 2HE LYS 18 2HE LYS 18 14.815 -9.977 -0.959 139 1HZ LYS 18 1HZ LYS 18 15.291 -8.212 -2.171 140 2HZ LYS 18 2HZ LYS 18 14.242 -7.244 -1.380 141 3HZ LYS 18 3HZ LYS 18 15.759 -7.441 -0.810 142 H LEU 19 H LEU 19 9.489 -14.133 0.363 143 HA LEU 19 HA LEU 19 10.251 -13.806 3.169 144 1HB LEU 19 1HB LEU 19 7.907 -14.661 1.953 145 2HB LEU 19 2HB LEU 19 8.667 -16.151 2.476 146 HG LEU 19 HG LEU 19 8.415 -13.860 4.405 147 1HD1 LEU 19 1HD1 LEU 19 6.200 -15.546 3.333 148 2HD1 LEU 19 2HD1 LEU 19 6.226 -15.204 5.080 149 3HD1 LEU 19 3HD1 LEU 19 6.191 -13.862 3.911 150 1HD2 LEU 19 1HD2 LEU 19 8.790 -15.405 6.040 151 2HD2 LEU 19 2HD2 LEU 19 8.050 -16.735 5.117 152 3HD2 LEU 19 3HD2 LEU 19 9.684 -16.167 4.702 153 H ALA 20 H ALA 20 11.084 -15.396 0.181 154 HA ALA 20 HA ALA 20 12.791 -16.721 -0.321 155 1HB ALA 20 1HB ALA 20 14.659 -16.774 1.044 156 2HB ALA 20 2HB ALA 20 13.802 -15.383 1.750 157 3HB ALA 20 3HB ALA 20 13.701 -16.980 2.531 158 H ARG 21 H ARG 21 10.047 -17.522 0.919 159 HA ARG 21 HA ARG 21 8.997 -19.305 1.597 160 1HB ARG 21 1HB ARG 21 9.614 -19.898 -0.771 161 2HB ARG 21 2HB ARG 21 11.047 -20.718 -0.184 162 1HG ARG 21 1HG ARG 21 9.494 -22.184 1.246 163 2HG ARG 21 2HG ARG 21 8.145 -21.468 0.387 164 1HD ARG 21 1HD ARG 21 9.323 -22.204 -1.799 165 2HD ARG 21 2HD ARG 21 10.404 -23.146 -0.792 166 HE ARG 21 HE ARG 21 7.903 -23.915 0.104 167 1HH1 ARG 21 2HH2 ARG 21 9.404 -23.780 -3.075 168 2HH1 ARG 21 1HH2 ARG 21 8.478 -25.100 -3.709 169 1HH2 ARG 21 2HH1 ARG 21 6.681 -25.656 -0.731 170 2HH2 ARG 21 1HH1 ARG 21 6.920 -26.174 -2.368 171 H ASN 22 H ASN 22 9.441 -19.482 3.847 172 HA ASN 22 HA ASN 22 11.745 -20.196 5.012 173 1HB ASN 22 1HB ASN 22 8.947 -20.071 5.752 174 2HB ASN 22 2HB ASN 22 9.612 -21.536 6.446 175 1HD2 ASN 22 1HD2 ASN 22 8.803 -19.751 8.179 176 2HD2 ASN 22 2HD2 ASN 22 10.101 -18.897 8.946 177 H GLU 23 H GLU 23 12.998 -21.950 4.271 178 HA GLU 23 HA GLU 23 11.587 -24.495 4.053 179 1HB GLU 23 1HB GLU 23 13.021 -23.211 2.072 180 2HB GLU 23 2HB GLU 23 14.247 -24.263 2.747 181 1HG GLU 23 1HG GLU 23 12.957 -26.243 2.311 182 2HG GLU 23 2HG GLU 23 11.485 -25.328 2.050 183 H SER 24 H SER 24 13.017 -26.457 4.574 184 HA SER 24 HA SER 24 14.464 -25.801 6.985 185 1HB SER 24 1HB SER 24 13.019 -28.179 5.918 186 2HB SER 24 2HB SER 24 14.455 -28.552 6.851 187 HG SER 24 HG SER 24 13.338 -28.139 8.619 188 H ARG 25 H ARG 25 14.854 -27.964 4.076 189 HA ARG 25 HA ARG 25 17.682 -27.324 4.198 190 1HB ARG 25 1HB ARG 25 16.703 -29.801 4.957 191 2HB ARG 25 2HB ARG 25 17.007 -30.078 3.254 192 1HG ARG 25 1HG ARG 25 19.291 -28.672 4.128 193 2HG ARG 25 2HG ARG 25 18.927 -29.752 5.460 194 1HD ARG 25 1HD ARG 25 18.646 -31.571 3.528 195 2HD ARG 25 2HD ARG 25 19.613 -30.447 2.593 196 HE ARG 25 HE ARG 25 21.481 -31.003 3.893 197 1HH1 ARG 25 2HH2 ARG 25 18.563 -32.073 5.542 198 2HH1 ARG 25 1HH2 ARG 25 19.423 -32.937 6.774 199 1HH2 ARG 25 2HH1 ARG 25 22.616 -32.141 5.517 200 2HH2 ARG 25 1HH1 ARG 25 21.744 -32.975 6.759 201 H GLY 26 H GLY 26 15.120 -29.055 2.266 202 1HA GLY 26 1HA GLY 26 14.672 -27.696 0.138 203 2HA GLY 26 2HA GLY 26 16.362 -28.016 -0.197 204 H SER 27 H SER 27 16.408 -29.525 -1.822 205 HA SER 27 HA SER 27 16.202 -31.441 -2.824 206 1HB SER 27 1HB SER 27 16.674 -32.408 -0.532 207 2HB SER 27 2HB SER 27 14.946 -32.544 -0.274 208 HG SER 27 HG SER 27 16.541 -33.894 -2.272 209 H GLY 28 H GLY 28 14.730 -31.807 -4.449 210 1HA GLY 28 1HA GLY 28 11.864 -31.764 -3.736 211 2HA GLY 28 2HA GLY 28 12.485 -30.818 -5.074 212 H SER 29 H SER 29 11.817 -31.798 -6.944 213 HA SER 29 HA SER 29 12.669 -34.531 -7.302 214 1HB SER 29 1HB SER 29 9.884 -33.724 -6.960 215 2HB SER 29 2HB SER 29 10.123 -34.413 -8.553 216 HG SER 29 HG SER 29 9.968 -35.695 -6.153 217 H GLY 30 H GLY 30 12.264 -35.162 -9.757 218 1HA GLY 30 1HA GLY 30 13.283 -32.940 -11.338 219 2HA GLY 30 2HA GLY 30 13.213 -34.632 -11.786 220 H SER 31 H SER 31 11.965 -31.650 -12.537 221 HA SER 31 HA SER 31 9.395 -32.803 -13.291 222 1HB SER 31 1HB SER 31 9.988 -30.402 -11.921 223 2HB SER 31 2HB SER 31 9.571 -29.888 -13.544 224 HG SER 31 HG SER 31 7.953 -31.018 -11.545 225 H LEU 32 H LEU 32 8.544 -32.150 -15.463 226 HA LEU 32 HA LEU 32 10.700 -32.122 -17.373 227 1HB LEU 32 1HB LEU 32 7.767 -32.639 -17.402 228 2HB LEU 32 2HB LEU 32 8.517 -32.117 -18.898 229 HG LEU 32 HG LEU 32 10.182 -34.029 -18.578 230 1HD1 LEU 32 1HD1 LEU 32 10.031 -35.489 -16.890 231 2HD1 LEU 32 2HD1 LEU 32 9.058 -34.236 -16.084 232 3HD1 LEU 32 3HD1 LEU 32 8.254 -35.552 -16.972 233 1HD2 LEU 32 1HD2 LEU 32 8.315 -35.754 -19.245 234 2HD2 LEU 32 2HD2 LEU 32 7.282 -34.305 -19.270 235 3HD2 LEU 32 3HD2 LEU 32 8.723 -34.390 -20.312 236 H PHE 33 H PHE 33 7.713 -30.126 -16.796 237 HA PHE 33 HA PHE 33 9.231 -27.741 -17.239 238 1HB PHE 33 1HB PHE 33 8.182 -27.134 -19.320 239 2HB PHE 33 2HB PHE 33 8.539 -28.834 -19.543 240 HD1 PHE 33 1HD PHE 33 6.579 -30.455 -18.707 241 HD2 PHE 33 2HD PHE 33 6.068 -26.407 -19.876 242 HE1 PHE 33 1HE PHE 33 4.156 -30.900 -19.191 243 HE2 PHE 33 2HE PHE 33 3.646 -26.852 -20.359 244 HZ PHE 33 HZ PHE 33 2.719 -29.093 -20.011 245 H SER 34 H SER 34 7.887 -25.767 -16.883 246 HA SER 34 HA SER 34 5.224 -25.912 -16.205 247 1HB SER 34 1HB SER 34 6.481 -27.239 -14.255 248 2HB SER 34 2HB SER 34 6.814 -25.627 -13.657 249 HG SER 34 HG SER 34 4.758 -25.382 -13.072 250 H PHE 35 H PHE 35 4.597 -23.822 -16.596 251 HA PHE 35 HA PHE 35 5.964 -21.653 -15.354 252 1HB PHE 35 1HB PHE 35 6.867 -20.671 -17.369 253 2HB PHE 35 2HB PHE 35 7.293 -22.366 -17.507 254 HD1 PHE 35 1HD PHE 35 5.730 -23.865 -18.891 255 HD2 PHE 35 2HD PHE 35 5.622 -19.626 -19.048 256 HE1 PHE 35 1HE PHE 35 4.559 -23.977 -21.108 257 HE2 PHE 35 2HE PHE 35 4.451 -19.738 -21.265 258 HZ PHE 35 HZ PHE 35 3.934 -21.912 -22.269 259 H LEU 36 H LEU 36 4.719 -19.714 -15.400 260 HA LEU 36 HA LEU 36 2.494 -19.441 -17.125 261 1HB LEU 36 1HB LEU 36 0.718 -19.624 -15.464 262 2HB LEU 36 2HB LEU 36 1.506 -21.156 -15.782 263 HG LEU 36 HG LEU 36 2.759 -19.832 -13.528 264 1HD1 LEU 36 1HD1 LEU 36 1.080 -19.327 -12.111 265 2HD1 LEU 36 2HD1 LEU 36 0.174 -19.057 -13.619 266 3HD1 LEU 36 3HD1 LEU 36 0.009 -20.599 -12.746 267 1HD2 LEU 36 1HD2 LEU 36 2.550 -22.349 -14.358 268 2HD2 LEU 36 2HD2 LEU 36 2.785 -21.930 -12.643 269 3HD2 LEU 36 3HD2 LEU 36 1.159 -22.332 -13.247 270 H GLY 37 H GLY 37 3.369 -17.401 -17.537 271 1HA GLY 37 1HA GLY 37 3.632 -15.604 -15.212 272 2HA GLY 37 2HA GLY 37 4.414 -15.407 -16.768 273 H LYS 38 H LYS 38 2.541 -13.602 -15.176 274 HA LYS 38 HA LYS 38 0.884 -12.901 -17.433 275 1HB LYS 38 1HB LYS 38 -0.245 -14.530 -15.497 276 2HB LYS 38 2HB LYS 38 -0.719 -12.926 -14.975 277 1HG LYS 38 1HG LYS 38 -2.426 -13.266 -16.487 278 2HG LYS 38 2HG LYS 38 -1.242 -12.640 -17.617 279 1HD LYS 38 1HD LYS 38 -1.547 -14.577 -18.776 280 2HD LYS 38 2HD LYS 38 -0.571 -15.336 -17.536 281 1HE LYS 38 1HE LYS 38 -2.685 -15.761 -16.199 282 2HE LYS 38 2HE LYS 38 -3.618 -15.112 -17.533 283 1HZ LYS 38 1HZ LYS 38 -1.705 -17.231 -18.077 284 2HZ LYS 38 2HZ LYS 38 -3.130 -17.623 -17.380 285 3HZ LYS 38 3HZ LYS 38 -3.109 -16.885 -18.837 286 H LYS 39 H LYS 39 -0.311 -10.742 -16.877 287 HA LYS 39 HA LYS 39 1.707 -9.051 -15.679 288 1HB LYS 39 1HB LYS 39 -0.049 -8.817 -17.847 289 2HB LYS 39 2HB LYS 39 -0.692 -7.714 -16.647 290 1HG LYS 39 1HG LYS 39 1.488 -6.597 -16.420 291 2HG LYS 39 2HG LYS 39 2.250 -7.781 -17.464 292 1HD LYS 39 1HD LYS 39 1.731 -6.500 -19.258 293 2HD LYS 39 2HD LYS 39 0.030 -6.777 -18.943 294 1HE LYS 39 1HE LYS 39 1.454 -4.684 -17.297 295 2HE LYS 39 2HE LYS 39 1.065 -4.298 -18.961 296 1HZ LYS 39 1HZ LYS 39 -0.985 -5.441 -17.233 297 2HZ LYS 39 2HZ LYS 39 -0.645 -3.846 -17.141 298 3HZ LYS 39 3HZ LYS 39 -1.165 -4.491 -18.549 299 H CYS 40 H CYS 40 1.070 -7.322 -14.113 300 HA CYS 40 HA CYS 40 -0.245 -8.497 -11.932 301 1HB CYS 40 1HB CYS 40 0.470 -5.572 -12.314 302 2HB CYS 40 2HB CYS 40 0.139 -6.381 -10.794 303 HG CYS 40 HG CYS 40 2.643 -6.620 -12.902 304 H VAL 41 H VAL 41 -2.360 -8.142 -11.113 305 HA VAL 41 HA VAL 41 -4.204 -7.027 -13.063 306 HB VAL 41 HB VAL 41 -4.491 -8.725 -10.589 307 1HG1 VAL 41 1HG1 VAL 41 -6.618 -7.306 -12.195 308 2HG1 VAL 41 2HG1 VAL 41 -6.964 -8.823 -11.332 309 3HG1 VAL 41 3HG1 VAL 41 -6.413 -7.391 -10.429 310 1HG2 VAL 41 1HG2 VAL 41 -5.731 -9.687 -13.036 311 2HG2 VAL 41 2HG2 VAL 41 -4.001 -9.343 -13.278 312 3HG2 VAL 41 3HG2 VAL 41 -4.515 -10.463 -11.994 313 H THR 42 H THR 42 -5.324 -5.129 -12.790 314 HA THR 42 HA THR 42 -4.671 -3.628 -10.350 315 HB THR 42 HB THR 42 -5.656 -2.676 -13.091 316 HG1 THR 42 1HG THR 42 -3.065 -2.865 -11.723 317 1HG2 THR 42 1HG2 THR 42 -4.078 -0.726 -11.790 318 2HG2 THR 42 2HG2 THR 42 -5.843 -0.665 -12.007 319 3HG2 THR 42 3HG2 THR 42 -5.153 -1.343 -10.513 320 H MET 43 H MET 43 -6.267 -2.573 -9.136 321 HA MET 43 HA MET 43 -8.868 -3.802 -9.511 322 1HB MET 43 1HB MET 43 -7.399 -2.490 -7.182 323 2HB MET 43 2HB MET 43 -9.137 -2.706 -7.101 324 1HG MET 43 1HG MET 43 -7.567 -5.117 -7.945 325 2HG MET 43 2HG MET 43 -7.344 -4.606 -6.283 326 1HE MET 43 1HE MET 43 -10.497 -3.361 -5.620 327 2HE MET 43 2HE MET 43 -10.711 -4.833 -4.642 328 3HE MET 43 3HE MET 43 -9.119 -4.041 -4.722 329 H SER 44 H SER 44 -7.709 -0.611 -8.197 330 HA SER 44 HA SER 44 -9.366 0.721 -10.128 331 1HB SER 44 1HB SER 44 -10.830 0.194 -8.099 332 2HB SER 44 2HB SER 44 -9.790 1.242 -7.156 333 HG SER 44 HG SER 44 -11.898 1.996 -8.549 334 H SER 45 H SER 45 -9.147 3.277 -9.647 335 HA SER 45 HA SER 45 -6.444 3.721 -8.657 336 1HB SER 45 1HB SER 45 -5.911 5.142 -10.501 337 2HB SER 45 2HB SER 45 -6.626 3.706 -11.208 338 HG SER 45 HG SER 45 -8.613 4.827 -11.487 339 H ALA 46 H ALA 46 -6.270 5.440 -7.222 340 HA ALA 46 HA ALA 46 -8.395 7.438 -7.234 341 1HB ALA 46 1HB ALA 46 -7.594 6.412 -4.556 342 2HB ALA 46 2HB ALA 46 -9.181 6.964 -5.143 343 3HB ALA 46 3HB ALA 46 -8.606 5.326 -5.537 344 H VAL 47 H VAL 47 -7.425 9.398 -7.301 345 HA VAL 47 HA VAL 47 -4.635 9.630 -6.889 346 HB VAL 47 HB VAL 47 -6.831 11.679 -7.240 347 1HG1 VAL 47 1HG1 VAL 47 -4.291 12.177 -6.280 348 2HG1 VAL 47 2HG1 VAL 47 -4.110 12.444 -8.031 349 3HG1 VAL 47 3HG1 VAL 47 -5.338 13.350 -7.114 350 1HG2 VAL 47 1HG2 VAL 47 -6.857 10.948 -9.352 351 2HG2 VAL 47 2HG2 VAL 47 -5.201 11.581 -9.517 352 3HG2 VAL 47 3HG2 VAL 47 -5.463 9.879 -9.065 353 H VAL 48 H VAL 48 -3.608 9.672 -4.965 354 HA VAL 48 HA VAL 48 -4.927 11.115 -2.787 355 HB VAL 48 HB VAL 48 -4.939 9.384 -1.366 356 1HG1 VAL 48 1HG1 VAL 48 -5.717 7.408 -2.343 357 2HG1 VAL 48 2HG1 VAL 48 -6.030 8.633 -3.595 358 3HG1 VAL 48 3HG1 VAL 48 -4.625 7.552 -3.742 359 1HG2 VAL 48 1HG2 VAL 48 -2.363 8.538 -2.688 360 2HG2 VAL 48 2HG2 VAL 48 -2.658 9.040 -1.005 361 3HG2 VAL 48 3HG2 VAL 48 -3.220 7.448 -1.571 362 H GLN 49 H GLN 49 -3.279 11.595 -0.984 363 HA GLN 49 HA GLN 49 -0.735 12.146 -2.297 364 1HB GLN 49 1HB GLN 49 -1.919 14.205 -1.774 365 2HB GLN 49 2HB GLN 49 -2.231 13.678 -0.132 366 1HG GLN 49 1HG GLN 49 -0.118 14.224 0.592 367 2HG GLN 49 2HG GLN 49 0.648 13.650 -0.876 368 1HE2 GLN 49 1HE2 GLN 49 1.957 15.513 -0.827 369 2HE2 GLN 49 2HE2 GLN 49 1.390 17.049 -1.392 370 H LEU 50 H LEU 50 1.181 11.485 -1.306 371 HA LEU 50 HA LEU 50 0.831 9.693 0.942 372 1HB LEU 50 1HB LEU 50 2.178 9.311 -1.257 373 2HB LEU 50 2HB LEU 50 3.423 10.248 -0.455 374 HG LEU 50 HG LEU 50 3.757 7.822 -0.222 375 1HD1 LEU 50 1HD1 LEU 50 4.402 9.592 1.552 376 2HD1 LEU 50 2HD1 LEU 50 3.100 8.863 2.523 377 3HD1 LEU 50 3HD1 LEU 50 4.475 7.868 1.986 378 1HD2 LEU 50 1HD2 LEU 50 1.353 7.695 1.589 379 2HD2 LEU 50 2HD2 LEU 50 1.223 7.369 -0.156 380 3HD2 LEU 50 3HD2 LEU 50 2.289 6.369 0.859 381 H TYR 51 H TYR 51 1.194 10.260 3.018 382 HA TYR 51 HA TYR 51 2.883 12.629 3.462 383 1HB TYR 51 1HB TYR 51 0.164 11.698 4.498 384 2HB TYR 51 2HB TYR 51 1.161 12.671 5.560 385 HD1 TYR 51 1HD TYR 51 -1.360 12.784 3.122 386 HD2 TYR 51 2HD TYR 51 2.120 14.904 4.427 387 HE1 TYR 51 1HE TYR 51 -2.219 14.899 2.002 388 HE2 TYR 51 2HE TYR 51 1.249 17.011 3.303 389 HH TYR 51 HH TYR 51 -1.555 16.921 1.230 390 H ALA 52 H ALA 52 4.017 12.673 5.536 391 HA ALA 52 HA ALA 52 4.243 10.002 6.741 392 1HB ALA 52 1HB ALA 52 6.576 11.907 6.449 393 2HB ALA 52 2HB ALA 52 6.592 10.150 6.734 394 3HB ALA 52 3HB ALA 52 6.138 10.788 5.136 395 H ALA 53 H ALA 53 4.189 9.952 8.970 396 HA ALA 53 HA ALA 53 3.484 12.428 10.259 397 1HB ALA 53 1HB ALA 53 3.588 9.505 11.041 398 2HB ALA 53 2HB ALA 53 3.317 10.778 12.255 399 3HB ALA 53 3HB ALA 53 2.173 10.577 10.907 400 H ASP 54 H ASP 54 5.419 13.682 10.152 401 HA ASP 54 HA ASP 54 7.668 12.509 11.569 402 1HB ASP 54 1HB ASP 54 7.331 14.577 9.438 403 2HB ASP 54 2HB ASP 54 8.570 14.936 10.625 404 H ARG 55 H ARG 55 8.985 14.559 12.709 405 HA ARG 55 HA ARG 55 9.045 15.961 14.351 406 1HB ARG 55 1HB ARG 55 7.122 17.066 12.576 407 2HB ARG 55 2HB ARG 55 6.400 17.230 14.165 408 1HG ARG 55 1HG ARG 55 8.643 18.225 14.951 409 2HG ARG 55 2HG ARG 55 9.123 18.269 13.266 410 1HD ARG 55 1HD ARG 55 7.744 20.047 12.779 411 2HD ARG 55 2HD ARG 55 6.436 19.440 13.775 412 HE ARG 55 HE ARG 55 8.631 20.300 15.443 413 1HH1 ARG 55 2HH2 ARG 55 5.995 21.551 13.476 414 2HH1 ARG 55 1HH2 ARG 55 5.859 23.028 14.369 415 1HH2 ARG 55 2HH1 ARG 55 8.453 22.250 16.622 416 2HH2 ARG 55 1HH1 ARG 55 7.267 23.428 16.171 417 H ASN 56 H ASN 56 7.747 16.767 16.461 418 HA ASN 56 HA ASN 56 7.198 14.713 18.008 419 1HB ASN 56 1HB ASN 56 5.821 17.444 17.982 420 2HB ASN 56 2HB ASN 56 5.617 16.311 19.303 421 1HD2 ASN 56 1HD2 ASN 56 7.012 16.330 20.903 422 2HD2 ASN 56 2HD2 ASN 56 8.564 17.098 20.921 423 H CYS 57 H CYS 57 5.073 16.159 15.538 424 HA CYS 57 HA CYS 57 3.511 13.979 15.162 425 1HB CYS 57 1HB CYS 57 1.332 14.721 16.277 426 2HB CYS 57 2HB CYS 57 2.541 13.975 17.302 427 HG CYS 57 HG CYS 57 2.804 15.748 18.843 428 H MET 58 H MET 58 4.052 14.985 13.075 429 HA MET 58 HA MET 58 1.999 16.771 12.252 430 1HB MET 58 1HB MET 58 4.889 17.640 12.568 431 2HB MET 58 2HB MET 58 3.991 18.269 11.201 432 1HG MET 58 1HG MET 58 2.161 18.663 13.229 433 2HG MET 58 2HG MET 58 3.663 18.849 14.112 434 1HE MET 58 1HE MET 58 2.910 20.765 10.119 435 2HE MET 58 2HE MET 58 2.107 19.348 10.835 436 3HE MET 58 3HE MET 58 1.470 20.981 11.143 437 H TRP 59 H TRP 59 1.350 15.998 10.293 438 HA TRP 59 HA TRP 59 2.796 14.027 8.939 439 1HB TRP 59 1HB TRP 59 0.632 15.772 7.767 440 2HB TRP 59 2HB TRP 59 1.093 14.153 7.278 441 HD1 TRP 59 HD TRP 59 -1.018 15.975 9.894 442 HE1 TRP 59 1HE TRP 59 -2.496 14.299 11.296 443 HE3 TRP 59 3HE TRP 59 1.169 11.740 8.120 444 HZ2 TRP 59 2HZ TRP 59 -2.584 11.453 11.501 445 HZ3 TRP 59 3HZ TRP 59 0.327 9.554 8.973 446 HH2 TRP 59 HH TRP 59 -1.483 9.369 10.605 447 H SER 60 H SER 60 3.658 14.218 6.662 448 HA SER 60 HA SER 60 4.506 16.894 5.989 449 1HB SER 60 1HB SER 60 6.854 16.311 5.807 450 2HB SER 60 2HB SER 60 6.318 15.910 7.426 451 HG SER 60 HG SER 60 7.569 14.178 6.562 452 H LYS 61 H LYS 61 4.018 17.163 3.844 453 HA LYS 61 HA LYS 61 3.111 15.106 2.239 454 1HB LYS 61 1HB LYS 61 3.167 16.724 0.442 455 2HB LYS 61 2HB LYS 61 2.600 17.490 1.912 456 1HG LYS 61 1HG LYS 61 4.181 19.078 1.473 457 2HG LYS 61 2HG LYS 61 5.320 17.917 2.125 458 1HD LYS 61 1HD LYS 61 5.845 17.062 -0.101 459 2HD LYS 61 2HD LYS 61 4.540 17.980 -0.824 460 1HE LYS 61 1HE LYS 61 6.772 19.388 0.689 461 2HE LYS 61 2HE LYS 61 6.980 18.930 -0.989 462 1HZ LYS 61 1HZ LYS 61 5.608 21.110 0.015 463 2HZ LYS 61 2HZ LYS 61 5.808 20.687 -1.550 464 3HZ LYS 61 3HZ LYS 61 4.505 20.157 -0.721 465 H LYS 62 H LYS 62 4.066 13.546 1.022 466 HA LYS 62 HA LYS 62 6.989 13.722 0.798 467 1HB LYS 62 1HB LYS 62 5.400 11.733 1.941 468 2HB LYS 62 2HB LYS 62 5.824 11.080 0.372 469 1HG LYS 62 1HG LYS 62 8.242 12.174 1.191 470 2HG LYS 62 2HG LYS 62 7.563 11.642 2.716 471 1HD LYS 62 1HD LYS 62 8.681 9.706 1.997 472 2HD LYS 62 2HD LYS 62 7.047 9.393 1.446 473 1HE LYS 62 1HE LYS 62 7.673 10.335 -0.820 474 2HE LYS 62 2HE LYS 62 9.321 10.526 -0.253 475 1HZ LYS 62 1HZ LYS 62 7.908 8.126 -0.945 476 2HZ LYS 62 2HZ LYS 62 9.500 8.470 -1.065 477 3HZ LYS 62 3HZ LYS 62 8.871 8.002 0.368 478 H CYS 63 H CYS 63 3.902 12.941 -0.880 479 HA CYS 63 HA CYS 63 4.685 14.051 -3.263 480 1HB CYS 63 1HB CYS 63 5.015 11.975 -4.668 481 2HB CYS 63 2HB CYS 63 6.361 12.415 -3.634 482 HG CYS 63 HG CYS 63 5.518 10.858 -1.591 483 H SER 64 H SER 64 2.893 13.957 -4.767 484 HA SER 64 HA SER 64 0.706 12.242 -3.943 485 1HB SER 64 1HB SER 64 -0.504 14.673 -4.755 486 2HB SER 64 2HB SER 64 -0.499 13.976 -3.147 487 HG SER 64 HG SER 64 1.683 15.590 -4.141 488 H GLY 65 H GLY 65 -0.911 11.910 -5.701 489 1HA GLY 65 1HA GLY 65 -0.854 13.000 -8.217 490 2HA GLY 65 2HA GLY 65 0.358 11.736 -8.258 491 H VAL 66 H VAL 66 -0.671 10.177 -9.513 492 HA VAL 66 HA VAL 66 -3.361 9.388 -8.684 493 HB VAL 66 HB VAL 66 -3.017 9.995 -11.022 494 1HG1 VAL 66 1HG1 VAL 66 -0.845 7.917 -10.863 495 2HG1 VAL 66 2HG1 VAL 66 -1.668 8.240 -12.407 496 3HG1 VAL 66 3HG1 VAL 66 -0.802 9.549 -11.569 497 1HG2 VAL 66 1HG2 VAL 66 -4.038 8.037 -12.041 498 2HG2 VAL 66 2HG2 VAL 66 -3.478 7.010 -10.699 499 3HG2 VAL 66 3HG2 VAL 66 -4.694 8.276 -10.404 500 H ALA 67 H ALA 67 -3.786 7.401 -7.776 501 HA ALA 67 HA ALA 67 -1.520 5.541 -7.627 502 1HB ALA 67 1HB ALA 67 -2.372 7.086 -5.514 503 2HB ALA 67 2HB ALA 67 -3.336 5.606 -5.294 504 3HB ALA 67 3HB ALA 67 -1.560 5.509 -5.359 505 H CYS 68 H CYS 68 -2.181 3.270 -7.331 506 HA CYS 68 HA CYS 68 -4.984 2.723 -7.726 507 1HB CYS 68 1HB CYS 68 -4.964 2.079 -9.874 508 2HB CYS 68 2HB CYS 68 -3.482 3.003 -10.012 509 HG CYS 68 HG CYS 68 -1.991 0.895 -9.049 510 H LEU 69 H LEU 69 -5.481 0.514 -7.109 511 HA LEU 69 HA LEU 69 -3.331 -0.692 -5.556 512 1HB LEU 69 1HB LEU 69 -5.254 -0.323 -4.278 513 2HB LEU 69 2HB LEU 69 -6.327 -0.894 -5.540 514 HG LEU 69 HG LEU 69 -5.075 -3.188 -5.151 515 1HD1 LEU 69 1HD1 LEU 69 -3.445 -2.123 -3.555 516 2HD1 LEU 69 2HD1 LEU 69 -4.792 -1.957 -2.403 517 3HD1 LEU 69 3HD1 LEU 69 -4.279 -3.572 -2.945 518 1HD2 LEU 69 1HD2 LEU 69 -6.840 -2.991 -2.908 519 2HD2 LEU 69 2HD2 LEU 69 -7.497 -2.020 -4.247 520 3HD2 LEU 69 3HD2 LEU 69 -7.119 -3.741 -4.498 521 H VAL 70 H VAL 70 -2.104 -2.219 -6.508 522 HA VAL 70 HA VAL 70 -3.369 -3.792 -8.637 523 HB VAL 70 HB VAL 70 -0.477 -3.122 -8.066 524 1HG1 VAL 70 1HG1 VAL 70 -0.038 -5.072 -9.102 525 2HG1 VAL 70 2HG1 VAL 70 -1.702 -5.235 -9.713 526 3HG1 VAL 70 3HG1 VAL 70 -0.530 -4.216 -10.584 527 1HG2 VAL 70 1HG2 VAL 70 -0.886 -2.199 -10.543 528 2HG2 VAL 70 2HG2 VAL 70 -2.551 -2.052 -9.929 529 3HG2 VAL 70 3HG2 VAL 70 -1.218 -1.220 -9.093 530 H LYS 71 H LYS 71 -3.367 -6.045 -8.536 531 HA LYS 71 HA LYS 71 -2.370 -7.133 -5.994 532 1HB LYS 71 1HB LYS 71 -4.218 -8.605 -5.909 533 2HB LYS 71 2HB LYS 71 -4.875 -7.019 -6.259 534 1HG LYS 71 1HG LYS 71 -5.989 -8.191 -7.907 535 2HG LYS 71 2HG LYS 71 -4.527 -7.846 -8.808 536 1HD LYS 71 1HD LYS 71 -4.503 -10.119 -9.135 537 2HD LYS 71 2HD LYS 71 -3.730 -10.136 -7.563 538 1HE LYS 71 1HE LYS 71 -6.746 -10.140 -7.636 539 2HE LYS 71 2HE LYS 71 -5.920 -11.619 -8.085 540 1HZ LYS 71 1HZ LYS 71 -5.395 -11.977 -5.987 541 2HZ LYS 71 2HZ LYS 71 -4.807 -10.470 -5.756 542 3HZ LYS 71 3HZ LYS 71 -6.403 -10.762 -5.566 543 H ASP 72 H ASP 72 -0.932 -8.808 -6.087 544 HA ASP 72 HA ASP 72 0.000 -9.475 -8.705 545 1HB ASP 72 1HB ASP 72 1.184 -9.214 -6.201 546 2HB ASP 72 2HB ASP 72 1.098 -10.955 -6.373 547 H ASN 73 H ASN 73 -1.759 -10.806 -9.548 548 HA ASN 73 HA ASN 73 -2.739 -12.962 -8.003 549 1HB ASN 73 1HB ASN 73 -4.276 -12.051 -9.602 550 2HB ASN 73 2HB ASN 73 -3.077 -12.028 -10.880 551 1HD2 ASN 73 1HD2 ASN 73 -3.448 -13.442 -12.391 552 2HD2 ASN 73 2HD2 ASN 73 -4.092 -15.039 -12.211 553 HA PRO 74 HA PRO 74 0.203 -15.114 -11.128 554 1HB PRO 74 1HB PRO 74 2.289 -13.646 -12.106 555 2HB PRO 74 2HB PRO 74 0.797 -13.898 -12.991 556 1HG PRO 74 1HG PRO 74 1.726 -11.474 -11.577 557 2HG PRO 74 2HG PRO 74 0.477 -11.623 -12.799 558 1HD PRO 74 1HD PRO 74 0.088 -11.311 -9.974 559 2HD PRO 74 2HD PRO 74 -1.156 -11.576 -11.181 560 H GLN 75 H GLN 75 0.761 -13.374 -8.427 561 HA GLN 75 HA GLN 75 3.138 -14.986 -7.910 562 1HB GLN 75 1HB GLN 75 2.468 -12.171 -6.960 563 2HB GLN 75 2HB GLN 75 3.744 -13.134 -6.240 564 1HG GLN 75 1HG GLN 75 4.255 -13.367 -8.988 565 2HG GLN 75 2HG GLN 75 3.703 -11.711 -8.831 566 1HE2 GLN 75 1HE2 GLN 75 5.631 -10.741 -9.168 567 2HE2 GLN 75 2HE2 GLN 75 6.982 -10.820 -8.086 568 H ARG 76 H ARG 76 1.791 -13.012 -5.349 569 HA ARG 76 HA ARG 76 -0.221 -14.622 -4.458 570 1HB ARG 76 1HB ARG 76 1.999 -16.146 -4.240 571 2HB ARG 76 2HB ARG 76 2.189 -15.248 -2.748 572 1HG ARG 76 1HG ARG 76 0.928 -17.190 -2.147 573 2HG ARG 76 2HG ARG 76 -0.239 -15.882 -2.184 574 1HD ARG 76 1HD ARG 76 -1.462 -17.166 -3.613 575 2HD ARG 76 2HD ARG 76 -0.256 -16.806 -4.833 576 HE ARG 76 HE ARG 76 -0.447 -19.295 -3.227 577 1HH1 ARG 76 2HH2 ARG 76 1.341 -17.403 -5.596 578 2HH1 ARG 76 1HH2 ARG 76 2.261 -18.754 -6.168 579 1HH2 ARG 76 2HH1 ARG 76 0.769 -21.077 -3.981 580 2HH2 ARG 76 1HH1 ARG 76 1.934 -20.858 -5.244 581 H SER 77 H SER 77 0.244 -11.876 -4.599 582 HA SER 77 HA SER 77 -0.356 -11.075 -2.027 583 1HB SER 77 1HB SER 77 2.364 -11.454 -2.203 584 2HB SER 77 2HB SER 77 2.244 -9.769 -2.670 585 HG SER 77 HG SER 77 1.203 -10.960 -0.241 586 H TYR 78 H TYR 78 0.247 -8.373 -2.031 587 HA TYR 78 HA TYR 78 -0.629 -7.483 -4.696 588 1HB TYR 78 1HB TYR 78 -1.347 -6.450 -1.881 589 2HB TYR 78 2HB TYR 78 -2.015 -5.829 -3.377 590 HD1 TYR 78 1HD TYR 78 -1.892 -8.845 -1.197 591 HD2 TYR 78 2HD TYR 78 -3.924 -6.827 -4.376 592 HE1 TYR 78 1HE TYR 78 -3.803 -10.516 -1.047 593 HE2 TYR 78 2HE TYR 78 -5.827 -8.505 -4.216 594 HH TYR 78 HH TYR 78 -5.637 -11.328 -2.973 595 H PHE 79 H PHE 79 -0.293 -5.000 -4.928 596 HA PHE 79 HA PHE 79 1.941 -4.018 -3.379 597 1HB PHE 79 1HB PHE 79 1.931 -4.496 -6.420 598 2HB PHE 79 2HB PHE 79 3.160 -3.552 -5.602 599 HD1 PHE 79 1HD PHE 79 1.666 -6.954 -5.708 600 HD2 PHE 79 2HD PHE 79 5.053 -4.597 -4.717 601 HE1 PHE 79 1HE PHE 79 2.999 -9.042 -5.301 602 HE2 PHE 79 2HE PHE 79 6.387 -6.685 -4.311 603 HZ PHE 79 HZ PHE 79 5.345 -8.882 -4.609 604 H LEU 80 H LEU 80 1.688 -1.853 -3.027 605 HA LEU 80 HA LEU 80 -0.244 -0.487 -4.762 606 1HB LEU 80 1HB LEU 80 -0.580 -0.838 -2.206 607 2HB LEU 80 2HB LEU 80 0.591 0.454 -2.038 608 HG LEU 80 HG LEU 80 -0.877 1.926 -3.414 609 1HD1 LEU 80 1HD1 LEU 80 -2.481 1.039 -4.661 610 2HD1 LEU 80 2HD1 LEU 80 -2.256 -0.553 -3.896 611 3HD1 LEU 80 3HD1 LEU 80 -3.369 0.633 -3.172 612 1HD2 LEU 80 1HD2 LEU 80 -1.257 1.035 -0.718 613 2HD2 LEU 80 2HD2 LEU 80 -1.533 2.646 -1.423 614 3HD2 LEU 80 3HD2 LEU 80 -2.839 1.437 -1.429 615 H ARG 81 H ARG 81 0.309 1.432 -5.792 616 HA ARG 81 HA ARG 81 2.851 2.588 -5.152 617 1HB ARG 81 1HB ARG 81 2.316 1.817 -8.051 618 2HB ARG 81 2HB ARG 81 3.824 2.364 -7.348 619 1HG ARG 81 1HG ARG 81 4.007 0.276 -6.026 620 2HG ARG 81 2HG ARG 81 2.446 -0.263 -6.614 621 1HD ARG 81 1HD ARG 81 3.496 -1.227 -8.383 622 2HD ARG 81 2HD ARG 81 3.933 0.372 -8.954 623 HE ARG 81 HE ARG 81 5.820 -0.202 -6.970 624 1HH1 ARG 81 2HH2 ARG 81 4.792 -1.718 -9.974 625 2HH1 ARG 81 1HH2 ARG 81 6.341 -2.425 -10.296 626 1HH2 ARG 81 2HH1 ARG 81 7.863 -1.133 -7.394 627 2HH2 ARG 81 1HH1 ARG 81 8.099 -2.090 -8.818 628 H ILE 82 H ILE 82 3.125 4.752 -6.241 629 HA ILE 82 HA ILE 82 0.537 5.793 -7.164 630 HB ILE 82 HB ILE 82 2.521 6.890 -5.207 631 1HG1 ILE 82 1HG1 ILE 82 -0.468 7.121 -5.049 632 2HG1 ILE 82 2HG1 ILE 82 0.287 5.573 -4.723 633 1HG2 ILE 82 1HG2 ILE 82 2.303 8.619 -6.925 634 2HG2 ILE 82 2HG2 ILE 82 0.531 8.548 -6.781 635 3HG2 ILE 82 3HG2 ILE 82 1.514 9.107 -5.406 636 1HD1 ILE 82 1HD1 ILE 82 0.547 6.369 -2.601 637 2HD1 ILE 82 2HD1 ILE 82 1.909 7.294 -3.275 638 3HD1 ILE 82 3HD1 ILE 82 0.310 8.058 -3.112 639 H PHE 83 H PHE 83 0.565 7.245 -8.922 640 HA PHE 83 HA PHE 83 3.189 7.462 -10.223 641 1HB PHE 83 1HB PHE 83 0.786 7.628 -11.945 642 2HB PHE 83 2HB PHE 83 2.180 6.580 -12.125 643 HD1 PHE 83 1HD PHE 83 2.139 4.854 -9.835 644 HD2 PHE 83 2HD PHE 83 -1.138 6.370 -12.064 645 HE1 PHE 83 1HE PHE 83 0.750 2.886 -9.130 646 HE2 PHE 83 2HE PHE 83 -2.528 4.403 -11.359 647 HZ PHE 83 HZ PHE 83 -1.567 2.684 -9.901 648 H ASP 84 H ASP 84 3.741 9.459 -11.123 649 HA ASP 84 HA ASP 84 2.349 11.657 -10.077 650 1HB ASP 84 1HB ASP 84 4.870 11.400 -10.708 651 2HB ASP 84 2HB ASP 84 4.370 11.743 -12.352 652 H ILE 85 H ILE 85 1.359 13.437 -11.427 653 HA ILE 85 HA ILE 85 0.171 12.336 -13.873 654 HB ILE 85 HB ILE 85 -1.445 12.738 -12.141 655 1HG1 ILE 85 1HG1 ILE 85 -1.693 14.960 -14.185 656 2HG1 ILE 85 2HG1 ILE 85 -1.943 13.268 -14.570 657 1HG2 ILE 85 1HG2 ILE 85 -1.442 15.579 -11.906 658 2HG2 ILE 85 2HG2 ILE 85 -1.217 14.349 -10.640 659 3HG2 ILE 85 3HG2 ILE 85 0.192 14.984 -11.523 660 1HD1 ILE 85 1HD1 ILE 85 -4.027 14.684 -13.918 661 2HD1 ILE 85 2HD1 ILE 85 -3.844 13.088 -13.150 662 3HD1 ILE 85 3HD1 ILE 85 -3.417 14.565 -12.250 663 H LYS 86 H LYS 86 2.641 14.307 -12.793 664 HA LYS 86 HA LYS 86 2.313 16.124 -15.077 665 1HB LYS 86 1HB LYS 86 2.779 16.700 -12.371 666 2HB LYS 86 2HB LYS 86 4.336 16.919 -13.145 667 1HG LYS 86 1HG LYS 86 2.579 18.099 -14.973 668 2HG LYS 86 2HG LYS 86 1.854 18.508 -13.431 669 1HD LYS 86 1HD LYS 86 4.824 18.848 -13.586 670 2HD LYS 86 2HD LYS 86 3.888 19.940 -14.588 671 1HE LYS 86 1HE LYS 86 2.934 21.027 -12.771 672 2HE LYS 86 2HE LYS 86 2.901 19.582 -11.781 673 1HZ LYS 86 1HZ LYS 86 5.495 20.669 -12.476 674 2HZ LYS 86 2HZ LYS 86 4.612 21.474 -11.364 675 3HZ LYS 86 3HZ LYS 86 5.017 19.913 -11.109 676 H ASP 87 H ASP 87 4.535 13.946 -13.267 677 HA ASP 87 HA ASP 87 6.402 14.183 -15.469 678 1HB ASP 87 1HB ASP 87 6.619 12.813 -12.747 679 2HB ASP 87 2HB ASP 87 7.902 12.824 -13.941 680 H GLY 88 H GLY 88 3.800 12.270 -14.275 681 1HA GLY 88 1HA GLY 88 3.009 10.213 -14.726 682 2HA GLY 88 2HA GLY 88 3.773 10.409 -16.291 683 H LYS 89 H LYS 89 5.160 10.066 -12.948 684 HA LYS 89 HA LYS 89 6.359 7.546 -13.812 685 1HB LYS 89 1HB LYS 89 8.547 8.170 -13.112 686 2HB LYS 89 2HB LYS 89 7.983 9.410 -14.214 687 1HG LYS 89 1HG LYS 89 7.445 10.916 -12.367 688 2HG LYS 89 2HG LYS 89 7.725 9.654 -11.183 689 1HD LYS 89 1HD LYS 89 9.992 10.293 -13.054 690 2HD LYS 89 2HD LYS 89 9.612 11.491 -11.834 691 1HE LYS 89 1HE LYS 89 10.431 10.198 -10.133 692 2HE LYS 89 2HE LYS 89 9.656 8.746 -10.738 693 1HZ LYS 89 1HZ LYS 89 12.299 9.717 -11.219 694 2HZ LYS 89 2HZ LYS 89 11.725 8.188 -11.268 695 3HZ LYS 89 3HZ LYS 89 11.549 9.169 -12.563 696 H LEU 90 H LEU 90 7.619 6.669 -11.653 697 HA LEU 90 HA LEU 90 5.480 6.365 -9.775 698 1HB LEU 90 1HB LEU 90 7.906 4.991 -10.530 699 2HB LEU 90 2HB LEU 90 7.817 5.165 -8.788 700 HG LEU 90 HG LEU 90 5.625 3.969 -10.504 701 1HD1 LEU 90 1HD1 LEU 90 6.841 2.117 -10.612 702 2HD1 LEU 90 2HD1 LEU 90 8.116 2.836 -9.600 703 3HD1 LEU 90 3HD1 LEU 90 6.743 1.998 -8.839 704 1HD2 LEU 90 1HD2 LEU 90 4.329 3.885 -8.697 705 2HD2 LEU 90 2HD2 LEU 90 5.651 3.265 -7.680 706 3HD2 LEU 90 3HD2 LEU 90 5.473 5.017 -7.937 707 H LEU 91 H LEU 91 5.159 7.453 -7.897 708 HA LEU 91 HA LEU 91 7.332 9.250 -7.074 709 1HB LEU 91 1HB LEU 91 4.402 9.566 -7.313 710 2HB LEU 91 2HB LEU 91 5.128 10.258 -5.875 711 HG LEU 91 HG LEU 91 5.827 10.908 -8.750 712 1HD1 LEU 91 1HD1 LEU 91 4.182 12.389 -8.587 713 2HD1 LEU 91 2HD1 LEU 91 3.917 11.989 -6.873 714 3HD1 LEU 91 3HD1 LEU 91 5.120 13.220 -7.324 715 1HD2 LEU 91 1HD2 LEU 91 7.161 12.785 -7.420 716 2HD2 LEU 91 2HD2 LEU 91 7.253 11.493 -6.198 717 3HD2 LEU 91 3HD2 LEU 91 7.889 11.214 -7.838 718 H TRP 92 H TRP 92 5.300 6.526 -6.257 719 HA TRP 92 HA TRP 92 6.768 6.165 -3.826 720 1HB TRP 92 1HB TRP 92 5.228 7.634 -2.843 721 2HB TRP 92 2HB TRP 92 3.874 6.978 -3.742 722 HD1 TRP 92 HD TRP 92 6.123 6.096 -0.718 723 HE1 TRP 92 1HE TRP 92 4.959 4.314 0.841 724 HE3 TRP 92 3HE TRP 92 2.183 5.199 -3.803 725 HZ2 TRP 92 2HZ TRP 92 2.575 2.763 0.613 726 HZ3 TRP 92 3HZ TRP 92 0.481 3.536 -3.059 727 HH2 TRP 92 HH TRP 92 0.631 2.337 -0.935 728 H GLU 93 H GLU 93 6.573 3.949 -3.110 729 HA GLU 93 HA GLU 93 4.731 2.284 -4.546 730 1HB GLU 93 1HB GLU 93 6.534 0.735 -5.342 731 2HB GLU 93 2HB GLU 93 6.578 2.301 -6.127 732 1HG GLU 93 1HG GLU 93 8.649 2.766 -5.304 733 2HG GLU 93 2HG GLU 93 8.183 2.327 -3.674 734 H GLN 94 H GLN 94 4.029 0.618 -3.235 735 HA GLN 94 HA GLN 94 5.720 0.034 -0.933 736 1HB GLN 94 1HB GLN 94 3.968 1.352 -0.004 737 2HB GLN 94 2HB GLN 94 2.745 0.617 -1.023 738 1HG GLN 94 1HG GLN 94 2.580 -0.248 1.287 739 2HG GLN 94 2HG GLN 94 2.999 -1.539 0.178 740 1HE2 GLN 94 1HE2 GLN 94 4.021 -2.844 1.591 741 2HE2 GLN 94 2HE2 GLN 94 5.517 -2.476 2.383 742 H GLU 95 H GLU 95 5.973 -2.152 -0.439 743 HA GLU 95 HA GLU 95 4.723 -3.938 -2.348 744 1HB GLU 95 1HB GLU 95 7.113 -4.277 -0.489 745 2HB GLU 95 2HB GLU 95 6.473 -5.576 -1.476 746 1HG GLU 95 1HG GLU 95 7.031 -4.461 -3.522 747 2HG GLU 95 2HG GLU 95 7.224 -2.910 -2.728 748 H LEU 96 H LEU 96 2.606 -3.784 -1.207 749 HA LEU 96 HA LEU 96 1.968 -4.193 1.314 750 1HB LEU 96 1HB LEU 96 0.727 -5.686 -1.002 751 2HB LEU 96 2HB LEU 96 -0.019 -5.410 0.559 752 HG LEU 96 HG LEU 96 0.745 -3.265 -1.442 753 1HD1 LEU 96 1HD1 LEU 96 -1.111 -4.225 -2.402 754 2HD1 LEU 96 2HD1 LEU 96 -1.817 -4.697 -0.837 755 3HD1 LEU 96 3HD1 LEU 96 -1.860 -2.995 -1.356 756 1HD2 LEU 96 1HD2 LEU 96 -0.338 -1.678 0.016 757 2HD2 LEU 96 2HD2 LEU 96 -0.766 -2.967 1.166 758 3HD2 LEU 96 3HD2 LEU 96 0.941 -2.528 0.917 759 H TYR 97 H TYR 97 1.736 -5.892 2.839 760 HA TYR 97 HA TYR 97 3.279 -8.300 2.138 761 1HB TYR 97 1HB TYR 97 3.532 -8.119 4.826 762 2HB TYR 97 2HB TYR 97 4.586 -7.181 3.785 763 HD1 TYR 97 1HD TYR 97 1.607 -7.027 5.973 764 HD2 TYR 97 2HD TYR 97 4.434 -4.776 3.683 765 HE1 TYR 97 1HE TYR 97 0.811 -4.884 7.084 766 HE2 TYR 97 2HE TYR 97 3.628 -2.640 4.801 767 HH TYR 97 HH TYR 97 2.243 -2.404 7.445 768 H ASN 98 H ASN 98 2.694 -10.249 3.480 769 HA ASN 98 HA ASN 98 0.079 -10.859 3.198 770 1HB ASN 98 1HB ASN 98 2.377 -12.161 4.120 771 2HB ASN 98 2HB ASN 98 1.357 -12.174 5.545 772 1HD2 ASN 98 1HD2 ASN 98 0.315 -13.993 5.736 773 2HD2 ASN 98 2HD2 ASN 98 -0.439 -14.916 4.480 774 H ASN 99 H ASN 99 -1.576 -11.367 4.999 775 HA ASN 99 HA ASN 99 -2.927 -10.546 6.502 776 1HB ASN 99 1HB ASN 99 -0.284 -10.886 7.885 777 2HB ASN 99 2HB ASN 99 -1.477 -9.955 8.770 778 1HD2 ASN 99 1HD2 ASN 99 -1.212 -12.912 6.805 779 2HD2 ASN 99 2HD2 ASN 99 -2.227 -13.920 7.782 780 H PHE 100 H PHE 100 -2.835 -8.507 4.908 781 HA PHE 100 HA PHE 100 -1.658 -6.204 6.262 782 1HB PHE 100 1HB PHE 100 -1.189 -6.604 3.831 783 2HB PHE 100 2HB PHE 100 -2.905 -6.724 3.498 784 HD1 PHE 100 1HD PHE 100 -0.105 -4.492 3.934 785 HD2 PHE 100 2HD PHE 100 -4.337 -4.681 3.678 786 HE1 PHE 100 1HE PHE 100 -0.186 -2.029 3.459 787 HE2 PHE 100 2HE PHE 100 -4.418 -2.217 3.202 788 HZ PHE 100 HZ PHE 100 -2.341 -0.921 3.099 789 H VAL 101 H VAL 101 -2.891 -4.483 7.035 790 HA VAL 101 HA VAL 101 -5.798 -4.797 6.749 791 HB VAL 101 HB VAL 101 -5.159 -5.525 8.947 792 1HG1 VAL 101 1HG1 VAL 101 -3.876 -4.225 10.500 793 2HG1 VAL 101 2HG1 VAL 101 -2.952 -4.312 8.980 794 3HG1 VAL 101 3HG1 VAL 101 -3.844 -2.829 9.396 795 1HG2 VAL 101 1HG2 VAL 101 -6.685 -4.284 10.168 796 2HG2 VAL 101 2HG2 VAL 101 -6.161 -2.737 9.460 797 3HG2 VAL 101 3HG2 VAL 101 -7.145 -3.868 8.500 798 H TYR 102 H TYR 102 -7.014 -2.752 6.867 799 HA TYR 102 HA TYR 102 -5.318 -0.468 6.111 800 1HB TYR 102 1HB TYR 102 -7.209 -1.928 4.620 801 2HB TYR 102 2HB TYR 102 -8.202 -0.643 5.279 802 HD1 TYR 102 1HD TYR 102 -5.745 1.382 5.268 803 HD2 TYR 102 2HD TYR 102 -7.562 -1.141 2.329 804 HE1 TYR 102 1HE TYR 102 -4.947 2.941 3.425 805 HE2 TYR 102 2HE TYR 102 -6.758 0.427 0.497 806 HH TYR 102 HH TYR 102 -6.103 3.253 0.706 807 H ASN 103 H ASN 103 -5.354 1.089 7.648 808 HA ASN 103 HA ASN 103 -7.536 1.105 9.500 809 1HB ASN 103 1HB ASN 103 -4.772 2.094 9.401 810 2HB ASN 103 2HB ASN 103 -5.849 3.359 9.959 811 1HD2 ASN 103 1HD2 ASN 103 -5.036 -0.062 10.412 812 2HD2 ASN 103 2HD2 ASN 103 -5.365 -0.152 12.110 813 H SER 104 H SER 104 -8.870 3.072 9.873 814 HA SER 104 HA SER 104 -8.592 5.234 8.047 815 1HB SER 104 1HB SER 104 -10.904 5.006 7.101 816 2HB SER 104 2HB SER 104 -9.815 3.739 6.574 817 HG SER 104 HG SER 104 -10.817 2.639 8.681 818 HA PRO 105 HA PRO 105 -10.414 6.199 12.082 819 1HB PRO 105 1HB PRO 105 -8.669 8.179 12.790 820 2HB PRO 105 2HB PRO 105 -8.460 6.504 13.262 821 1HG PRO 105 1HG PRO 105 -7.009 8.042 11.196 822 2HG PRO 105 2HG PRO 105 -6.550 6.538 11.969 823 1HD PRO 105 1HD PRO 105 -7.623 6.853 9.327 824 2HD PRO 105 2HD PRO 105 -7.272 5.343 10.143 825 H ARG 106 H ARG 106 -9.866 7.822 9.198 826 HA ARG 106 HA ARG 106 -11.671 9.914 10.113 827 1HB ARG 106 1HB ARG 106 -9.201 10.242 8.945 828 2HB ARG 106 2HB ARG 106 -10.213 10.252 7.515 829 1HG ARG 106 1HG ARG 106 -10.855 12.380 7.953 830 2HG ARG 106 2HG ARG 106 -11.518 11.883 9.497 831 1HD ARG 106 1HD ARG 106 -9.582 12.469 10.685 832 2HD ARG 106 2HD ARG 106 -8.525 12.204 9.312 833 HE ARG 106 HE ARG 106 -9.923 14.676 9.975 834 1HH1 ARG 106 2HH2 ARG 106 -8.560 12.804 7.326 835 2HH1 ARG 106 1HH2 ARG 106 -8.318 14.183 6.305 836 1HH2 ARG 106 2HH1 ARG 106 -9.603 16.496 8.630 837 2HH2 ARG 106 1HH1 ARG 106 -8.916 16.297 7.053 838 H GLY 107 H GLY 107 -12.391 10.847 7.459 839 1HA GLY 107 1HA GLY 107 -14.284 8.751 6.741 840 2HA GLY 107 2HA GLY 107 -14.291 10.426 6.224 841 H TYR 108 H TYR 108 -11.550 10.651 5.326 842 HA TYR 108 HA TYR 108 -11.367 8.609 3.240 843 1HB TYR 108 1HB TYR 108 -11.086 10.499 1.597 844 2HB TYR 108 2HB TYR 108 -12.646 10.613 2.385 845 HD1 TYR 108 1HD TYR 108 -13.048 12.344 4.130 846 HD2 TYR 108 2HD TYR 108 -9.384 12.180 1.927 847 HE1 TYR 108 1HE TYR 108 -12.500 14.720 4.851 848 HE2 TYR 108 2HE TYR 108 -8.848 14.556 2.654 849 HH TYR 108 HH TYR 108 -11.210 16.503 4.331 850 H PHE 109 H PHE 109 -9.815 8.806 5.628 851 HA PHE 109 HA PHE 109 -7.241 9.430 4.407 852 1HB PHE 109 1HB PHE 109 -8.191 11.316 5.937 853 2HB PHE 109 2HB PHE 109 -8.112 10.171 7.261 854 HD1 PHE 109 1HD PHE 109 -6.291 12.545 5.298 855 HD2 PHE 109 2HD PHE 109 -5.841 9.217 7.892 856 HE1 PHE 109 1HE PHE 109 -3.904 13.197 5.721 857 HE2 PHE 109 2HE PHE 109 -3.455 9.868 8.314 858 HZ PHE 109 HZ PHE 109 -2.515 11.851 7.225 859 H HIS 110 H HIS 110 -6.362 7.396 4.314 860 HA HIS 110 HA HIS 110 -6.731 5.705 6.666 861 1HB HIS 110 1HB HIS 110 -5.678 4.866 3.959 862 2HB HIS 110 2HB HIS 110 -6.245 3.837 5.260 863 HD2 HIS 110 2HD HIS 110 -9.056 5.987 5.515 864 HE1 HIS 110 1HE HIS 110 -9.946 3.972 1.874 865 HE2 HIS 110 2HE HIS 110 -10.874 5.379 3.837 866 H THR 111 H THR 111 -4.899 4.678 7.667 867 HA THR 111 HA THR 111 -2.385 6.108 7.112 868 HB THR 111 HB THR 111 -1.981 5.357 9.598 869 HG1 THR 111 1HG THR 111 -3.862 3.889 9.530 870 1HG2 THR 111 1HG2 THR 111 -4.084 7.398 8.745 871 2HG2 THR 111 2HG2 THR 111 -3.674 7.150 10.459 872 3HG2 THR 111 3HG2 THR 111 -2.426 7.704 9.318 873 H PHE 112 H PHE 112 -0.369 4.906 7.390 874 HA PHE 112 HA PHE 112 -0.666 2.023 7.224 875 1HB PHE 112 1HB PHE 112 -0.772 2.816 4.875 876 2HB PHE 112 2HB PHE 112 0.565 3.916 5.141 877 HD1 PHE 112 1HD PHE 112 -0.163 0.259 5.391 878 HD2 PHE 112 2HD PHE 112 2.638 3.277 4.365 879 HE1 PHE 112 1HE PHE 112 1.440 -1.500 4.597 880 HE2 PHE 112 2HE PHE 112 4.241 1.517 3.570 881 HZ PHE 112 HZ PHE 112 3.624 -0.850 3.696 882 H ALA 113 H ALA 113 1.647 0.987 7.090 883 HA ALA 113 HA ALA 113 3.537 2.685 8.561 884 1HB ALA 113 1HB ALA 113 3.715 1.197 10.288 885 2HB ALA 113 2HB ALA 113 2.052 0.785 9.806 886 3HB ALA 113 3HB ALA 113 3.413 -0.214 9.245 887 H GLY 114 H GLY 114 5.398 2.849 7.426 888 1HA GLY 114 1HA GLY 114 5.901 1.074 5.213 889 2HA GLY 114 2HA GLY 114 6.856 2.449 5.727 890 H ASP 115 H ASP 115 8.789 1.102 5.382 891 HA ASP 115 HA ASP 115 9.283 -1.299 6.459 892 1HB ASP 115 1HB ASP 115 10.774 0.458 5.103 893 2HB ASP 115 2HB ASP 115 11.395 0.857 6.692 894 H THR 116 H THR 116 10.075 1.927 7.979 895 HA THR 116 HA THR 116 9.392 0.874 10.590 896 HB THR 116 HB THR 116 11.624 1.326 11.528 897 HG1 THR 116 1HG THR 116 12.115 2.036 8.721 898 1HG2 THR 116 1HG2 THR 116 11.364 -0.922 10.371 899 2HG2 THR 116 2HG2 THR 116 11.990 -0.174 8.883 900 3HG2 THR 116 3HG2 THR 116 13.030 -0.298 10.321 901 H CYS 117 H CYS 117 8.562 2.968 8.502 902 HA CYS 117 HA CYS 117 8.640 5.194 10.401 903 1HB CYS 117 1HB CYS 117 9.891 5.227 7.924 904 2HB CYS 117 2HB CYS 117 8.356 6.006 7.593 905 HG CYS 117 HG CYS 117 8.527 7.966 9.047 906 H GLN 118 H GLN 118 6.640 6.437 10.479 907 HA GLN 118 HA GLN 118 4.404 4.857 9.555 908 1HB GLN 118 1HB GLN 118 4.319 5.446 11.894 909 2HB GLN 118 2HB GLN 118 4.672 7.130 11.560 910 1HG GLN 118 1HG GLN 118 2.315 7.065 11.944 911 2HG GLN 118 2HG GLN 118 2.482 7.200 10.205 912 1HE2 GLN 118 1HE2 GLN 118 0.192 6.363 10.636 913 2HE2 GLN 118 2HE2 GLN 118 -0.042 4.650 10.538 914 H VAL 119 H VAL 119 3.197 5.428 7.791 915 HA VAL 119 HA VAL 119 3.297 8.238 6.964 916 HB VAL 119 HB VAL 119 3.421 7.473 4.623 917 1HG1 VAL 119 1HG1 VAL 119 5.647 6.887 6.563 918 2HG1 VAL 119 2HG1 VAL 119 5.869 6.583 4.824 919 3HG1 VAL 119 3HG1 VAL 119 5.480 8.222 5.398 920 1HG2 VAL 119 1HG2 VAL 119 2.525 5.203 4.927 921 2HG2 VAL 119 2HG2 VAL 119 4.101 5.176 4.102 922 3HG2 VAL 119 3HG2 VAL 119 3.990 4.742 5.825 923 H ALA 120 H ALA 120 1.368 9.019 5.977 924 HA ALA 120 HA ALA 120 -0.889 7.144 6.187 925 1HB ALA 120 1HB ALA 120 -2.187 9.319 6.742 926 2HB ALA 120 2HB ALA 120 -1.161 8.614 8.015 927 3HB ALA 120 3HB ALA 120 -0.588 10.020 7.086 928 H LEU 121 H LEU 121 -2.785 7.847 4.772 929 HA LEU 121 HA LEU 121 -1.861 9.332 2.428 930 1HB LEU 121 1HB LEU 121 -2.921 7.638 0.973 931 2HB LEU 121 2HB LEU 121 -1.477 7.087 1.800 932 HG LEU 121 HG LEU 121 -4.061 6.487 3.143 933 1HD1 LEU 121 1HD1 LEU 121 -4.682 6.079 0.829 934 2HD1 LEU 121 2HD1 LEU 121 -3.228 5.081 0.590 935 3HD1 LEU 121 3HD1 LEU 121 -4.504 4.541 1.707 936 1HD2 LEU 121 1HD2 LEU 121 -1.325 5.544 3.139 937 2HD2 LEU 121 2HD2 LEU 121 -2.628 5.264 4.318 938 3HD2 LEU 121 3HD2 LEU 121 -2.467 4.198 2.901 939 H ASN 122 H ASN 122 -3.395 10.696 1.557 940 HA ASN 122 HA ASN 122 -6.052 10.444 2.727 941 1HB ASN 122 1HB ASN 122 -6.178 12.949 2.747 942 2HB ASN 122 2HB ASN 122 -4.885 12.363 3.774 943 1HD2 ASN 122 1HD2 ASN 122 -5.627 14.698 1.714 944 2HD2 ASN 122 2HD2 ASN 122 -4.099 15.056 0.981 945 H PHE 123 H PHE 123 -7.560 10.164 1.077 946 HA PHE 123 HA PHE 123 -6.771 10.483 -1.631 947 1HB PHE 123 1HB PHE 123 -9.532 10.106 -0.327 948 2HB PHE 123 2HB PHE 123 -9.136 9.715 -1.989 949 HD1 PHE 123 1HD PHE 123 -7.833 7.725 -2.523 950 HD2 PHE 123 2HD PHE 123 -8.833 8.660 1.494 951 HE1 PHE 123 1HE PHE 123 -7.225 5.391 -1.828 952 HE2 PHE 123 2HE PHE 123 -8.226 6.326 2.188 953 HZ PHE 123 HZ PHE 123 -7.429 4.719 0.519 954 H ALA 124 H ALA 124 -8.099 11.753 -3.249 955 HA ALA 124 HA ALA 124 -8.409 14.444 -2.231 956 1HB ALA 124 1HB ALA 124 -8.786 14.843 -4.765 957 2HB ALA 124 2HB ALA 124 -7.168 14.321 -4.236 958 3HB ALA 124 3HB ALA 124 -8.289 13.145 -4.964 959 H ASN 125 H ASN 125 -10.336 11.634 -2.860 960 HA ASN 125 HA ASN 125 -12.695 13.332 -2.684 961 1HB ASN 125 1HB ASN 125 -11.978 11.573 -4.839 962 2HB ASN 125 2HB ASN 125 -13.286 10.784 -3.981 963 1HD2 ASN 125 1HD2 ASN 125 -12.262 13.724 -5.611 964 2HD2 ASN 125 2HD2 ASN 125 -13.831 14.336 -6.012 965 H GLU 126 H GLU 126 -14.482 12.318 -1.449 966 HA GLU 126 HA GLU 126 -13.504 10.592 0.569 967 1HB GLU 126 1HB GLU 126 -15.227 12.492 0.818 968 2HB GLU 126 2HB GLU 126 -16.400 11.405 0.100 969 1HG GLU 126 1HG GLU 126 -15.773 9.699 1.918 970 2HG GLU 126 2HG GLU 126 -14.837 10.967 2.685 971 H GLU 127 H GLU 127 -15.997 10.329 -2.056 972 HA GLU 127 HA GLU 127 -16.769 7.761 -1.501 973 1HB GLU 127 1HB GLU 127 -17.553 9.621 -3.286 974 2HB GLU 127 2HB GLU 127 -16.591 8.637 -4.373 975 1HG GLU 127 1HG GLU 127 -17.916 6.668 -3.937 976 2HG GLU 127 2HG GLU 127 -18.682 7.398 -2.539 977 H GLU 128 H GLU 128 -14.162 8.954 -3.723 978 HA GLU 128 HA GLU 128 -13.414 6.494 -4.676 979 1HB GLU 128 1HB GLU 128 -11.991 9.137 -4.319 980 2HB GLU 128 2HB GLU 128 -11.080 7.747 -4.874 981 1HG GLU 128 1HG GLU 128 -12.001 9.103 -6.769 982 2HG GLU 128 2HG GLU 128 -12.571 7.446 -6.794 983 H ALA 129 H ALA 129 -12.818 8.044 -1.553 984 HA ALA 129 HA ALA 129 -10.656 6.291 -0.856 985 1HB ALA 129 1HB ALA 129 -10.726 8.547 0.040 986 2HB ALA 129 2HB ALA 129 -12.350 8.272 0.716 987 3HB ALA 129 3HB ALA 129 -10.950 7.396 1.380 988 H LYS 130 H LYS 130 -14.206 6.476 -0.428 989 HA LYS 130 HA LYS 130 -14.339 4.428 1.510 990 1HB LYS 130 1HB LYS 130 -16.072 6.299 0.460 991 2HB LYS 130 2HB LYS 130 -16.695 4.804 -0.210 992 1HG LYS 130 1HG LYS 130 -16.235 3.987 2.360 993 2HG LYS 130 2HG LYS 130 -16.542 5.688 2.648 994 1HD LYS 130 1HD LYS 130 -18.614 5.231 0.986 995 2HD LYS 130 2HD LYS 130 -18.397 3.584 1.544 996 1HE LYS 130 1HE LYS 130 -18.263 4.927 3.941 997 2HE LYS 130 2HE LYS 130 -19.337 5.988 3.050 998 1HZ LYS 130 1HZ LYS 130 -20.725 4.428 3.968 999 2HZ LYS 130 2HZ LYS 130 -20.535 3.841 2.456 1000 3HZ LYS 130 3HZ LYS 130 -19.718 3.170 3.701 1001 H LYS 131 H LYS 131 -14.667 4.508 -2.090 1002 HA LYS 131 HA LYS 131 -15.239 1.767 -2.320 1003 1HB LYS 131 1HB LYS 131 -14.751 2.116 -4.706 1004 2HB LYS 131 2HB LYS 131 -15.825 3.340 -4.061 1005 1HG LYS 131 1HG LYS 131 -14.354 4.767 -5.114 1006 2HG LYS 131 2HG LYS 131 -13.471 4.607 -3.608 1007 1HD LYS 131 1HD LYS 131 -11.941 3.016 -4.527 1008 2HD LYS 131 2HD LYS 131 -12.995 2.645 -5.878 1009 1HE LYS 131 1HE LYS 131 -12.633 4.923 -6.815 1010 2HE LYS 131 2HE LYS 131 -11.628 5.344 -5.443 1011 1HZ LYS 131 1HZ LYS 131 -9.986 4.559 -6.674 1012 2HZ LYS 131 2HZ LYS 131 -10.535 3.057 -6.344 1013 3HZ LYS 131 3HZ LYS 131 -10.974 3.800 -7.730 1014 H PHE 132 H PHE 132 -12.265 3.625 -1.867 1015 HA PHE 132 HA PHE 132 -10.474 1.712 -2.840 1016 1HB PHE 132 1HB PHE 132 -10.448 4.288 -1.778 1017 2HB PHE 132 2HB PHE 132 -9.789 3.384 -0.428 1018 HD1 PHE 132 1HD PHE 132 -7.560 2.580 -0.466 1019 HD2 PHE 132 2HD PHE 132 -9.268 4.208 -3.993 1020 HE1 PHE 132 1HE PHE 132 -5.296 2.610 -1.550 1021 HE2 PHE 132 2HE PHE 132 -7.005 4.237 -5.077 1022 HZ PHE 132 HZ PHE 132 -5.046 3.437 -3.842 1023 H ARG 133 H ARG 133 -11.517 2.448 0.569 1024 HA ARG 133 HA ARG 133 -10.105 0.333 1.650 1025 1HB ARG 133 1HB ARG 133 -11.327 2.435 2.743 1026 2HB ARG 133 2HB ARG 133 -12.688 1.339 2.887 1027 1HG ARG 133 1HG ARG 133 -10.763 -0.290 3.886 1028 2HG ARG 133 2HG ARG 133 -10.018 1.248 4.270 1029 1HD ARG 133 1HD ARG 133 -11.481 1.634 5.974 1030 2HD ARG 133 2HD ARG 133 -12.866 1.301 4.952 1031 HE ARG 133 HE ARG 133 -11.550 -1.175 5.588 1032 1HH1 ARG 133 2HH2 ARG 133 -13.542 1.317 7.073 1033 2HH1 ARG 133 1HH2 ARG 133 -14.224 0.248 8.254 1034 1HH2 ARG 133 2HH1 ARG 133 -12.450 -2.585 7.145 1035 2HH2 ARG 133 1HH1 ARG 133 -13.598 -1.987 8.294 1036 H LYS 134 H LYS 134 -13.379 0.617 0.237 1037 HA LYS 134 HA LYS 134 -14.386 -1.813 1.224 1038 1HB LYS 134 1HB LYS 134 -15.375 0.355 -0.175 1039 2HB LYS 134 2HB LYS 134 -15.425 -0.920 -1.375 1040 1HG LYS 134 1HG LYS 134 -16.946 -2.211 -0.157 1041 2HG LYS 134 2HG LYS 134 -16.392 -1.606 1.392 1042 1HD LYS 134 1HD LYS 134 -17.564 0.488 1.110 1043 2HD LYS 134 2HD LYS 134 -17.850 0.185 -0.592 1044 1HE LYS 134 1HE LYS 134 -19.931 -0.398 0.306 1045 2HE LYS 134 2HE LYS 134 -19.143 -1.963 0.276 1046 1HZ LYS 134 1HZ LYS 134 -20.160 -1.478 2.402 1047 2HZ LYS 134 2HZ LYS 134 -18.546 -1.666 2.565 1048 3HZ LYS 134 3HZ LYS 134 -19.202 -0.171 2.605 1049 H ALA 135 H ALA 135 -12.626 -0.899 -1.793 1050 HA ALA 135 HA ALA 135 -12.809 -3.384 -3.030 1051 1HB ALA 135 1HB ALA 135 -10.349 -2.249 -3.773 1052 2HB ALA 135 2HB ALA 135 -11.919 -2.012 -4.578 1053 3HB ALA 135 3HB ALA 135 -11.374 -0.862 -3.335 1054 H VAL 136 H VAL 136 -10.258 -1.996 -0.854 1055 HA VAL 136 HA VAL 136 -8.578 -4.195 -0.892 1056 HB VAL 136 HB VAL 136 -9.088 -2.327 1.428 1057 1HG1 VAL 136 1HG1 VAL 136 -7.480 -3.597 2.350 1058 2HG1 VAL 136 2HG1 VAL 136 -7.050 -4.348 0.794 1059 3HG1 VAL 136 3HG1 VAL 136 -6.372 -2.762 1.233 1060 1HG2 VAL 136 1HG2 VAL 136 -8.291 -1.678 -1.246 1061 2HG2 VAL 136 2HG2 VAL 136 -8.433 -0.608 0.170 1062 3HG2 VAL 136 3HG2 VAL 136 -6.896 -1.443 -0.164 1063 H THR 137 H THR 137 -11.163 -3.347 1.524 1064 HA THR 137 HA THR 137 -10.959 -5.634 3.051 1065 HB THR 137 HB THR 137 -13.470 -5.042 3.491 1066 HG1 THR 137 1HG THR 137 -13.868 -4.022 1.446 1067 1HG2 THR 137 1HG2 THR 137 -12.642 -3.576 5.036 1068 2HG2 THR 137 2HG2 THR 137 -11.065 -3.659 4.214 1069 3HG2 THR 137 3HG2 THR 137 -12.248 -2.411 3.751 1070 H ASP 138 H ASP 138 -12.882 -5.092 0.045 1071 HA ASP 138 HA ASP 138 -14.241 -7.437 0.056 1072 1HB ASP 138 1HB ASP 138 -13.460 -5.404 -1.883 1073 2HB ASP 138 2HB ASP 138 -13.404 -6.983 -2.641 1074 H LEU 139 H LEU 139 -10.947 -6.667 -1.277 1075 HA LEU 139 HA LEU 139 -10.441 -9.236 -2.281 1076 1HB LEU 139 1HB LEU 139 -8.531 -7.061 -1.412 1077 2HB LEU 139 2HB LEU 139 -8.103 -8.472 -2.359 1078 HG LEU 139 HG LEU 139 -9.668 -6.043 -3.160 1079 1HD1 LEU 139 1HD1 LEU 139 -7.955 -5.658 -4.539 1080 2HD1 LEU 139 2HD1 LEU 139 -7.081 -6.887 -3.593 1081 3HD1 LEU 139 3HD1 LEU 139 -7.907 -7.347 -5.102 1082 1HD2 LEU 139 1HD2 LEU 139 -9.826 -8.680 -4.645 1083 2HD2 LEU 139 2HD2 LEU 139 -11.135 -7.973 -3.669 1084 3HD2 LEU 139 3HD2 LEU 139 -10.556 -7.129 -5.126 1085 H LEU 140 H LEU 140 -9.775 -7.652 0.890 1086 HA LEU 140 HA LEU 140 -8.314 -9.817 1.931 1087 1HB LEU 140 1HB LEU 140 -9.593 -7.345 2.975 1088 2HB LEU 140 2HB LEU 140 -9.228 -8.609 4.133 1089 HG LEU 140 HG LEU 140 -6.898 -8.314 2.559 1090 1HD1 LEU 140 1HD1 LEU 140 -6.599 -6.173 2.032 1091 2HD1 LEU 140 2HD1 LEU 140 -8.338 -5.944 2.337 1092 3HD1 LEU 140 3HD1 LEU 140 -7.157 -5.622 3.630 1093 1HD2 LEU 140 1HD2 LEU 140 -6.992 -6.974 5.198 1094 2HD2 LEU 140 2HD2 LEU 140 -7.505 -8.678 5.165 1095 3HD2 LEU 140 3HD2 LEU 140 -5.889 -8.224 4.574 1096 H GLY 141 H GLY 141 -11.767 -9.131 1.541 1097 1HA GLY 141 1HA GLY 141 -12.670 -11.064 3.444 1098 2HA GLY 141 2HA GLY 141 -13.613 -10.250 2.213 1099 H ARG 142 H ARG 142 -12.356 -10.965 -0.177 1100 HA ARG 142 HA ARG 142 -13.352 -13.542 -0.496 1101 1HB ARG 142 1HB ARG 142 -11.806 -11.591 -2.215 1102 2HB ARG 142 2HB ARG 142 -11.958 -13.244 -2.779 1103 1HG ARG 142 1HG ARG 142 -14.558 -12.441 -1.860 1104 2HG ARG 142 2HG ARG 142 -13.938 -11.125 -2.836 1105 1HD ARG 142 1HD ARG 142 -13.624 -13.939 -3.889 1106 2HD ARG 142 2HD ARG 142 -15.216 -13.209 -3.950 1107 HE ARG 142 HE ARG 142 -13.096 -11.462 -4.977 1108 1HH1 ARG 142 2HH2 ARG 142 -15.397 -13.998 -5.787 1109 2HH1 ARG 142 1HH2 ARG 142 -15.425 -13.610 -7.475 1110 1HH2 ARG 142 2HH1 ARG 142 -13.133 -10.950 -7.204 1111 2HH2 ARG 142 1HH1 ARG 142 -14.128 -11.864 -8.286 1112 H ARG 143 H ARG 143 -10.012 -12.167 -0.292 1113 HA ARG 143 HA ARG 143 -8.108 -13.057 0.224 1114 1HB ARG 143 1HB ARG 143 -9.547 -14.357 1.955 1115 2HB ARG 143 2HB ARG 143 -9.467 -15.718 0.852 1116 1HG ARG 143 1HG ARG 143 -6.876 -15.367 0.903 1117 2HG ARG 143 2HG ARG 143 -7.167 -14.351 2.301 1118 1HD ARG 143 1HD ARG 143 -8.239 -16.212 3.504 1119 2HD ARG 143 2HD ARG 143 -8.162 -17.232 2.080 1120 HE ARG 143 HE ARG 143 -5.514 -16.341 2.654 1121 1HH1 ARG 143 2HH2 ARG 143 -7.992 -18.418 4.043 1122 2HH1 ARG 143 1HH2 ARG 143 -6.857 -19.449 4.849 1123 1HH2 ARG 143 2HH1 ARG 143 -4.016 -17.700 3.718 1124 2HH2 ARG 143 1HH1 ARG 143 -4.580 -19.037 4.664 1125 H GLN 144 H GLN 144 -6.561 -13.669 -1.270 1126 HA GLN 144 HA GLN 144 -5.801 -14.368 -3.206 1127 1HB GLN 144 1HB GLN 144 -6.797 -16.928 -1.909 1128 2HB GLN 144 2HB GLN 144 -5.908 -16.965 -3.418 1129 1HG GLN 144 1HG GLN 144 -3.945 -16.012 -2.423 1130 2HG GLN 144 2HG GLN 144 -4.823 -15.451 -1.014 1131 1HE2 GLN 144 1HE2 GLN 144 -2.795 -16.663 -0.218 1132 2HE2 GLN 144 2HE2 GLN 144 -3.023 -18.316 0.249 Start of MODEL 16 1 1H ASP 1 H ASP 1 -10.799 16.168 9.333 2 HA ASP 1 HA ASP 1 -8.743 18.155 8.862 3 1HB ASP 1 1HB ASP 1 -10.099 17.620 11.400 4 2HB ASP 1 2HB ASP 1 -8.393 17.242 11.539 5 H LEU 2 H LEU 2 -6.517 17.221 9.406 6 HA LEU 2 HA LEU 2 -6.358 14.528 8.537 7 1HB LEU 2 1HB LEU 2 -4.334 16.535 9.518 8 2HB LEU 2 2HB LEU 2 -3.897 14.904 9.048 9 HG LEU 2 HG LEU 2 -5.248 15.619 6.833 10 1HD1 LEU 2 1HD1 LEU 2 -5.706 17.782 6.690 11 2HD1 LEU 2 2HD1 LEU 2 -4.942 18.081 8.270 12 3HD1 LEU 2 3HD1 LEU 2 -3.964 18.141 6.783 13 1HD2 LEU 2 1HD2 LEU 2 -3.006 14.705 6.856 14 2HD2 LEU 2 2HD2 LEU 2 -3.059 16.148 5.816 15 3HD2 LEU 2 3HD2 LEU 2 -2.347 16.250 7.444 16 HA PRO 3 HA PRO 3 -6.444 12.529 12.363 17 1HB PRO 3 1HB PRO 3 -5.182 10.182 11.756 18 2HB PRO 3 2HB PRO 3 -6.863 10.496 11.369 19 1HG PRO 3 1HG PRO 3 -4.521 10.467 9.566 20 2HG PRO 3 2HG PRO 3 -6.221 10.354 9.158 21 1HD PRO 3 1HD PRO 3 -4.540 12.659 8.874 22 2HD PRO 3 2HD PRO 3 -6.265 12.577 8.577 23 HA PRO 4 HA PRO 4 -2.855 13.087 14.554 24 1HB PRO 4 1HB PRO 4 -3.095 11.366 16.663 25 2HB PRO 4 2HB PRO 4 -3.910 12.916 16.593 26 1HG PRO 4 1HG PRO 4 -5.038 10.210 16.208 27 2HG PRO 4 2HG PRO 4 -5.874 11.707 16.563 28 1HD PRO 4 1HD PRO 4 -5.724 10.386 14.021 29 2HD PRO 4 2HD PRO 4 -6.463 11.940 14.352 30 HA PRO 5 HA PRO 5 0.003 10.270 13.124 31 1HB PRO 5 1HB PRO 5 2.298 11.505 13.947 32 2HB PRO 5 2HB PRO 5 1.459 11.928 12.468 33 1HG PRO 5 1HG PRO 5 1.544 13.393 15.034 34 2HG PRO 5 2HG PRO 5 1.086 13.982 13.448 35 1HD PRO 5 1HD PRO 5 -0.680 13.303 15.604 36 2HD PRO 5 2HD PRO 5 -1.141 13.781 13.982 37 H GLU 6 H GLU 6 0.662 8.310 13.774 38 HA GLU 6 HA GLU 6 0.923 8.119 16.663 39 1HB GLU 6 1HB GLU 6 -0.336 6.470 14.631 40 2HB GLU 6 2HB GLU 6 0.870 5.522 15.478 41 1HG GLU 6 1HG GLU 6 -0.321 6.833 17.593 42 2HG GLU 6 2HG GLU 6 -1.679 6.693 16.496 43 HA PRO 7 HA PRO 7 5.131 7.144 16.252 44 1HB PRO 7 1HB PRO 7 5.596 5.673 18.508 45 2HB PRO 7 2HB PRO 7 5.502 7.423 18.507 46 1HG PRO 7 1HG PRO 7 3.509 5.460 19.463 47 2HG PRO 7 2HG PRO 7 3.629 7.170 19.830 48 1HD PRO 7 1HD PRO 7 1.782 5.930 18.020 49 2HD PRO 7 2HD PRO 7 1.982 7.648 18.301 50 H TYR 8 H TYR 8 6.062 5.957 14.723 51 HA TYR 8 HA TYR 8 5.233 3.138 14.709 52 1HB TYR 8 1HB TYR 8 4.764 4.635 12.701 53 2HB TYR 8 2HB TYR 8 6.466 5.040 12.619 54 HD1 TYR 8 1HD TYR 8 7.502 4.072 10.791 55 HD2 TYR 8 2HD TYR 8 4.553 1.814 12.915 56 HE1 TYR 8 1HE TYR 8 7.893 2.093 9.245 57 HE2 TYR 8 2HE TYR 8 4.954 -0.158 11.362 58 HH TYR 8 HH TYR 8 7.524 -0.596 9.635 59 H VAL 9 H VAL 9 6.697 1.716 15.499 60 HA VAL 9 HA VAL 9 9.524 2.327 15.012 61 HB VAL 9 HB VAL 9 9.068 2.914 17.294 62 1HG1 VAL 9 1HG1 VAL 9 7.518 1.918 18.553 63 2HG1 VAL 9 2HG1 VAL 9 7.157 0.840 17.184 64 3HG1 VAL 9 3HG1 VAL 9 8.347 0.350 18.413 65 1HG2 VAL 9 1HG2 VAL 9 11.123 2.071 17.595 66 2HG2 VAL 9 2HG2 VAL 9 10.323 0.642 18.290 67 3HG2 VAL 9 3HG2 VAL 9 10.780 0.656 16.571 68 H GLN 10 H GLN 10 10.540 0.713 13.935 69 HA GLN 10 HA GLN 10 9.242 -1.431 12.947 70 1HB GLN 10 1HB GLN 10 11.998 -0.512 13.142 71 2HB GLN 10 2HB GLN 10 11.946 -2.259 13.272 72 1HG GLN 10 1HG GLN 10 10.201 -1.080 11.146 73 2HG GLN 10 2HG GLN 10 11.924 -0.898 10.887 74 1HE2 GLN 10 1HE2 GLN 10 10.669 -2.345 9.102 75 2HE2 GLN 10 2HE2 GLN 10 10.959 -4.045 9.266 76 H THR 11 H THR 11 9.206 -3.733 13.435 77 HA THR 11 HA THR 11 10.148 -4.553 16.048 78 HB THR 11 HB THR 11 7.261 -4.017 15.350 79 HG1 THR 11 1HG THR 11 7.866 -2.796 17.098 80 1HG2 THR 11 1HG2 THR 11 8.170 -6.172 17.327 81 2HG2 THR 11 2HG2 THR 11 6.497 -5.641 17.030 82 3HG2 THR 11 3HG2 THR 11 7.388 -6.526 15.767 83 H THR 12 H THR 12 7.949 -5.533 13.329 84 HA THR 12 HA THR 12 9.731 -7.596 12.536 85 HB THR 12 HB THR 12 8.393 -8.313 14.791 86 HG1 THR 12 1HG THR 12 8.777 -9.826 12.302 87 1HG2 THR 12 1HG2 THR 12 6.498 -9.800 14.081 88 2HG2 THR 12 2HG2 THR 12 6.118 -8.085 13.799 89 3HG2 THR 12 3HG2 THR 12 6.604 -9.124 12.438 90 H LYS 13 H LYS 13 9.421 -8.026 10.425 91 HA LYS 13 HA LYS 13 6.773 -7.793 9.317 92 1HB LYS 13 1HB LYS 13 8.784 -5.651 9.027 93 2HB LYS 13 2HB LYS 13 8.090 -6.204 7.517 94 1HG LYS 13 1HG LYS 13 5.993 -5.393 8.019 95 2HG LYS 13 2HG LYS 13 6.109 -5.835 9.711 96 1HD LYS 13 1HD LYS 13 6.304 -3.570 10.027 97 2HD LYS 13 2HD LYS 13 7.990 -3.856 9.645 98 1HE LYS 13 1HE LYS 13 7.228 -2.013 8.255 99 2HE LYS 13 2HE LYS 13 7.471 -3.396 7.208 100 1HZ LYS 13 1HZ LYS 13 5.347 -3.358 6.682 101 2HZ LYS 13 2HZ LYS 13 4.859 -3.392 8.240 102 3HZ LYS 13 3HZ LYS 13 5.172 -1.963 7.513 103 H SER 14 H SER 14 6.525 -9.119 7.530 104 HA SER 14 HA SER 14 8.873 -10.017 6.169 105 1HB SER 14 1HB SER 14 7.302 -11.793 8.039 106 2HB SER 14 2HB SER 14 7.962 -12.494 6.574 107 HG SER 14 HG SER 14 9.252 -12.069 8.868 108 H TYR 15 H TYR 15 8.327 -10.155 4.018 109 HA TYR 15 HA TYR 15 5.467 -10.341 3.399 110 1HB TYR 15 1HB TYR 15 7.896 -9.579 1.670 111 2HB TYR 15 2HB TYR 15 6.218 -9.241 1.294 112 HD1 TYR 15 1HD TYR 15 5.043 -7.375 2.327 113 HD2 TYR 15 2HD TYR 15 9.101 -8.250 3.361 114 HE1 TYR 15 1HE TYR 15 5.257 -5.101 3.443 115 HE2 TYR 15 2HE TYR 15 9.301 -5.972 4.472 116 HH TYR 15 HH TYR 15 6.825 -4.203 5.413 117 HA PRO 16 HA PRO 16 6.103 -14.209 1.562 118 1HB PRO 16 1HB PRO 16 3.927 -14.352 -0.084 119 2HB PRO 16 2HB PRO 16 3.853 -14.690 1.633 120 1HG PRO 16 1HG PRO 16 2.910 -12.300 0.172 121 2HG PRO 16 2HG PRO 16 2.478 -12.844 1.780 122 1HD PRO 16 1HD PRO 16 4.272 -10.708 1.117 123 2HD PRO 16 2HD PRO 16 3.930 -11.327 2.719 124 H SER 17 H SER 17 5.735 -11.423 -0.458 125 HA SER 17 HA SER 17 6.489 -12.704 -2.815 126 1HB SER 17 1HB SER 17 5.354 -10.472 -2.668 127 2HB SER 17 2HB SER 17 6.826 -9.776 -2.021 128 HG SER 17 HG SER 17 7.014 -11.206 -4.482 129 H LYS 18 H LYS 18 8.313 -10.933 -0.246 130 HA LYS 18 HA LYS 18 10.787 -11.881 -1.516 131 1HB LYS 18 1HB LYS 18 11.914 -9.980 -0.552 132 2HB LYS 18 2HB LYS 18 10.537 -9.423 -1.483 133 1HG LYS 18 1HG LYS 18 9.458 -8.597 0.363 134 2HG LYS 18 2HG LYS 18 9.869 -9.986 1.349 135 1HD LYS 18 1HD LYS 18 11.216 -8.454 2.422 136 2HD LYS 18 2HD LYS 18 12.345 -8.900 1.159 137 1HE LYS 18 1HE LYS 18 11.347 -6.983 -0.248 138 2HE LYS 18 2HE LYS 18 10.493 -6.475 1.196 139 1HZ LYS 18 1HZ LYS 18 13.240 -6.191 0.552 140 2HZ LYS 18 2HZ LYS 18 12.345 -5.387 1.656 141 3HZ LYS 18 3HZ LYS 18 13.026 -6.820 2.044 142 H LEU 19 H LEU 19 9.531 -13.832 -0.177 143 HA LEU 19 HA LEU 19 10.508 -13.749 2.570 144 1HB LEU 19 1HB LEU 19 8.149 -14.621 1.474 145 2HB LEU 19 2HB LEU 19 9.044 -16.118 1.646 146 HG LEU 19 HG LEU 19 8.719 -14.172 3.935 147 1HD1 LEU 19 1HD1 LEU 19 6.797 -16.209 2.880 148 2HD1 LEU 19 2HD1 LEU 19 6.936 -15.976 4.639 149 3HD1 LEU 19 3HD1 LEU 19 6.494 -14.606 3.592 150 1HD2 LEU 19 1HD2 LEU 19 10.524 -15.867 4.083 151 2HD2 LEU 19 2HD2 LEU 19 9.270 -16.056 5.333 152 3HD2 LEU 19 3HD2 LEU 19 9.295 -17.146 3.926 153 H ALA 20 H ALA 20 11.272 -14.940 -0.613 154 HA ALA 20 HA ALA 20 12.993 -16.110 -1.370 155 1HB ALA 20 1HB ALA 20 15.001 -16.174 -0.141 156 2HB ALA 20 2HB ALA 20 14.159 -14.752 0.520 157 3HB ALA 20 3HB ALA 20 14.153 -16.288 1.419 158 H ARG 21 H ARG 21 10.494 -17.247 0.110 159 HA ARG 21 HA ARG 21 11.323 -19.668 1.215 160 1HB ARG 21 1HB ARG 21 8.750 -18.398 0.380 161 2HB ARG 21 2HB ARG 21 8.728 -20.150 0.375 162 1HG ARG 21 1HG ARG 21 10.061 -19.164 2.785 163 2HG ARG 21 2HG ARG 21 8.476 -18.433 2.628 164 1HD ARG 21 1HD ARG 21 7.989 -21.112 1.961 165 2HD ARG 21 2HD ARG 21 9.193 -21.240 3.227 166 HE ARG 21 HE ARG 21 7.639 -20.410 4.781 167 1HH1 ARG 21 2HH2 ARG 21 6.453 -19.855 1.514 168 2HH1 ARG 21 1HH2 ARG 21 4.879 -19.352 2.033 169 1HH2 ARG 21 2HH1 ARG 21 5.562 -19.746 5.466 170 2HH2 ARG 21 1HH1 ARG 21 4.369 -19.289 4.297 171 H ASN 22 H ASN 22 12.697 -20.863 -0.178 172 HA ASN 22 HA ASN 22 11.447 -22.435 -2.080 173 1HB ASN 22 1HB ASN 22 12.576 -21.631 -4.154 174 2HB ASN 22 2HB ASN 22 11.521 -20.392 -3.505 175 1HD2 ASN 22 1HD2 ASN 22 12.399 -18.505 -3.880 176 2HD2 ASN 22 2HD2 ASN 22 14.035 -18.032 -3.572 177 H GLU 23 H GLU 23 13.000 -24.089 -2.885 178 HA GLU 23 HA GLU 23 15.133 -24.466 -1.102 179 1HB GLU 23 1HB GLU 23 14.059 -25.920 -3.521 180 2HB GLU 23 2HB GLU 23 15.626 -26.381 -2.887 181 1HG GLU 23 1HG GLU 23 14.461 -26.513 -0.561 182 2HG GLU 23 2HG GLU 23 12.947 -26.430 -1.440 183 H SER 24 H SER 24 17.444 -24.987 -1.900 184 HA SER 24 HA SER 24 19.297 -24.399 -2.868 185 1HB SER 24 1HB SER 24 17.348 -24.035 -5.063 186 2HB SER 24 2HB SER 24 18.779 -23.041 -5.247 187 HG SER 24 HG SER 24 18.660 -25.916 -4.947 188 H ARG 25 H ARG 25 19.498 -22.847 -1.058 189 HA ARG 25 HA ARG 25 18.601 -20.203 -1.454 190 1HB ARG 25 1HB ARG 25 19.074 -21.504 0.782 191 2HB ARG 25 2HB ARG 25 20.748 -21.050 0.534 192 1HG ARG 25 1HG ARG 25 20.063 -18.636 0.418 193 2HG ARG 25 2HG ARG 25 18.398 -19.104 0.702 194 1HD ARG 25 1HD ARG 25 18.745 -19.229 2.946 195 2HD ARG 25 2HD ARG 25 20.096 -20.324 2.730 196 HE ARG 25 HE ARG 25 21.578 -18.517 2.939 197 1HH1 ARG 25 2HH2 ARG 25 18.327 -17.300 2.365 198 2HH1 ARG 25 1HH2 ARG 25 18.754 -15.649 2.666 199 1HH2 ARG 25 2HH1 ARG 25 22.143 -16.338 3.335 200 2HH2 ARG 25 1HH1 ARG 25 20.939 -15.098 3.221 201 H GLY 26 H GLY 26 19.960 -18.282 -1.761 202 1HA GLY 26 1HA GLY 26 22.652 -18.868 -2.832 203 2HA GLY 26 2HA GLY 26 21.515 -17.850 -3.694 204 H SER 27 H SER 27 21.141 -15.700 -3.030 205 HA SER 27 HA SER 27 21.505 -13.807 -2.035 206 1HB SER 27 1HB SER 27 22.315 -15.482 0.383 207 2HB SER 27 2HB SER 27 22.048 -13.750 0.424 208 HG SER 27 HG SER 27 20.211 -15.433 0.951 209 H GLY 28 H GLY 28 23.297 -12.297 -1.269 210 1HA GLY 28 1HA GLY 28 25.890 -12.910 -0.770 211 2HA GLY 28 2HA GLY 28 25.781 -13.068 -2.511 212 H SER 29 H SER 29 27.419 -11.186 -2.246 213 HA SER 29 HA SER 29 26.055 -8.691 -1.712 214 1HB SER 29 1HB SER 29 28.564 -9.553 -1.024 215 2HB SER 29 2HB SER 29 28.935 -8.695 -2.508 216 HG SER 29 HG SER 29 27.197 -7.347 -0.727 217 H GLY 30 H GLY 30 26.006 -6.955 -3.295 218 1HA GLY 30 1HA GLY 30 25.757 -6.099 -5.357 219 2HA GLY 30 2HA GLY 30 27.144 -7.058 -5.836 220 H SER 31 H SER 31 24.776 -6.478 -7.463 221 HA SER 31 HA SER 31 24.366 -8.982 -8.513 222 1HB SER 31 1HB SER 31 22.450 -8.225 -6.375 223 2HB SER 31 2HB SER 31 21.683 -8.720 -7.871 224 HG SER 31 HG SER 31 23.754 -10.433 -7.275 225 H LEU 32 H LEU 32 23.836 -8.590 -10.645 226 HA LEU 32 HA LEU 32 22.918 -5.908 -11.281 227 1HB LEU 32 1HB LEU 32 24.624 -7.883 -12.492 228 2HB LEU 32 2HB LEU 32 23.353 -7.435 -13.613 229 HG LEU 32 HG LEU 32 25.357 -6.081 -13.937 230 1HD1 LEU 32 1HD1 LEU 32 24.323 -3.867 -13.911 231 2HD1 LEU 32 2HD1 LEU 32 23.177 -5.109 -14.471 232 3HD1 LEU 32 3HD1 LEU 32 23.053 -4.462 -12.816 233 1HD2 LEU 32 1HD2 LEU 32 25.009 -4.608 -11.375 234 2HD2 LEU 32 2HD2 LEU 32 25.795 -6.204 -11.305 235 3HD2 LEU 32 3HD2 LEU 32 26.473 -4.921 -12.337 236 H PHE 33 H PHE 33 20.882 -5.417 -11.956 237 HA PHE 33 HA PHE 33 18.724 -5.678 -12.334 238 1HB PHE 33 1HB PHE 33 20.208 -7.660 -14.006 239 2HB PHE 33 2HB PHE 33 18.528 -8.102 -13.778 240 HD1 PHE 33 1HD PHE 33 16.733 -6.553 -14.548 241 HD2 PHE 33 2HD PHE 33 20.825 -5.853 -15.432 242 HE1 PHE 33 1HE PHE 33 16.068 -4.959 -16.369 243 HE2 PHE 33 2HE PHE 33 20.159 -4.261 -17.253 244 HZ PHE 33 HZ PHE 33 17.788 -3.833 -17.701 245 H SER 34 H SER 34 16.746 -7.285 -12.184 246 HA SER 34 HA SER 34 17.060 -9.627 -10.734 247 1HB SER 34 1HB SER 34 17.647 -8.473 -8.767 248 2HB SER 34 2HB SER 34 16.603 -7.112 -9.126 249 HG SER 34 HG SER 34 15.533 -8.236 -7.524 250 H PHE 35 H PHE 35 14.962 -6.685 -11.100 251 HA PHE 35 HA PHE 35 12.514 -7.778 -10.790 252 1HB PHE 35 1HB PHE 35 13.775 -5.677 -12.589 253 2HB PHE 35 2HB PHE 35 12.090 -6.065 -12.876 254 HD1 PHE 35 1HD PHE 35 10.545 -5.995 -10.750 255 HD2 PHE 35 2HD PHE 35 14.300 -4.040 -11.037 256 HE1 PHE 35 1HE PHE 35 9.869 -4.428 -8.910 257 HE2 PHE 35 2HE PHE 35 13.625 -2.473 -9.196 258 HZ PHE 35 HZ PHE 35 11.418 -2.685 -8.155 259 H LEU 36 H LEU 36 11.885 -9.768 -11.551 260 HA LEU 36 HA LEU 36 12.214 -10.186 -14.441 261 1HB LEU 36 1HB LEU 36 13.053 -11.788 -12.212 262 2HB LEU 36 2HB LEU 36 11.840 -12.662 -13.126 263 HG LEU 36 HG LEU 36 13.563 -11.623 -15.075 264 1HD1 LEU 36 1HD1 LEU 36 15.787 -12.231 -14.429 265 2HD1 LEU 36 2HD1 LEU 36 15.147 -11.096 -13.218 266 3HD1 LEU 36 3HD1 LEU 36 15.224 -12.835 -12.852 267 1HD2 LEU 36 1HD2 LEU 36 14.356 -14.244 -14.736 268 2HD2 LEU 36 2HD2 LEU 36 12.727 -14.219 -14.018 269 3HD2 LEU 36 3HD2 LEU 36 12.967 -13.682 -15.697 270 H GLY 37 H GLY 37 10.455 -11.404 -15.490 271 1HA GLY 37 1HA GLY 37 8.257 -11.499 -15.995 272 2HA GLY 37 2HA GLY 37 8.114 -12.251 -14.419 273 H LYS 38 H LYS 38 5.875 -11.150 -14.696 274 HA LYS 38 HA LYS 38 5.728 -9.017 -12.926 275 1HB LYS 38 1HB LYS 38 6.704 -7.642 -14.666 276 2HB LYS 38 2HB LYS 38 5.527 -8.199 -15.837 277 1HG LYS 38 1HG LYS 38 3.902 -7.298 -13.758 278 2HG LYS 38 2HG LYS 38 5.239 -6.167 -13.696 279 1HD LYS 38 1HD LYS 38 4.056 -5.068 -15.328 280 2HD LYS 38 2HD LYS 38 4.834 -6.220 -16.396 281 1HE LYS 38 1HE LYS 38 2.896 -7.680 -16.389 282 2HE LYS 38 2HE LYS 38 2.159 -6.811 -15.057 283 1HZ LYS 38 1HZ LYS 38 2.331 -4.841 -16.691 284 2HZ LYS 38 2HZ LYS 38 2.412 -6.001 -17.835 285 3HZ LYS 38 3HZ LYS 38 1.114 -5.918 -16.847 286 H LYS 39 H LYS 39 4.241 -10.614 -12.116 287 HA LYS 39 HA LYS 39 1.846 -10.949 -13.765 288 1HB LYS 39 1HB LYS 39 3.236 -12.602 -11.726 289 2HB LYS 39 2HB LYS 39 1.484 -12.642 -11.683 290 1HG LYS 39 1HG LYS 39 2.146 -14.393 -13.192 291 2HG LYS 39 2HG LYS 39 1.519 -13.104 -14.199 292 1HD LYS 39 1HD LYS 39 3.485 -13.057 -15.322 293 2HD LYS 39 2HD LYS 39 4.287 -12.523 -13.860 294 1HE LYS 39 1HE LYS 39 4.383 -15.020 -13.170 295 2HE LYS 39 2HE LYS 39 3.891 -15.393 -14.811 296 1HZ LYS 39 1HZ LYS 39 6.360 -15.233 -14.260 297 2HZ LYS 39 2HZ LYS 39 5.836 -14.549 -15.647 298 3HZ LYS 39 3HZ LYS 39 6.157 -13.616 -14.346 299 H CYS 40 H CYS 40 1.768 -8.449 -13.092 300 HA CYS 40 HA CYS 40 0.266 -8.354 -10.577 301 1HB CYS 40 1HB CYS 40 1.980 -6.225 -11.891 302 2HB CYS 40 2HB CYS 40 0.862 -5.887 -10.584 303 HG CYS 40 HG CYS 40 2.420 -6.358 -8.872 304 H VAL 41 H VAL 41 -1.792 -7.302 -10.648 305 HA VAL 41 HA VAL 41 -2.647 -6.441 -13.320 306 HB VAL 41 HB VAL 41 -4.065 -8.262 -11.373 307 1HG1 VAL 41 1HG1 VAL 41 -5.574 -6.488 -12.335 308 2HG1 VAL 41 2HG1 VAL 41 -5.205 -7.139 -13.950 309 3HG1 VAL 41 3HG1 VAL 41 -6.027 -8.159 -12.746 310 1HG2 VAL 41 1HG2 VAL 41 -4.155 -9.780 -13.353 311 2HG2 VAL 41 2HG2 VAL 41 -3.137 -8.621 -14.241 312 3HG2 VAL 41 3HG2 VAL 41 -2.501 -9.437 -12.792 313 H THR 42 H THR 42 -4.337 -4.807 -13.317 314 HA THR 42 HA THR 42 -4.200 -3.185 -10.888 315 HB THR 42 HB THR 42 -5.042 -2.638 -13.782 316 HG1 THR 42 1HG THR 42 -2.939 -1.825 -13.809 317 1HG2 THR 42 1HG2 THR 42 -4.614 -0.187 -12.764 318 2HG2 THR 42 2HG2 THR 42 -6.229 -0.931 -12.685 319 3HG2 THR 42 3HG2 THR 42 -5.160 -0.969 -11.262 320 H MET 43 H MET 43 -6.070 -2.274 -9.895 321 HA MET 43 HA MET 43 -8.462 -3.839 -10.489 322 1HB MET 43 1HB MET 43 -6.918 -3.512 -8.031 323 2HB MET 43 2HB MET 43 -8.518 -2.843 -7.781 324 1HG MET 43 1HG MET 43 -8.563 -5.441 -9.210 325 2HG MET 43 2HG MET 43 -7.850 -5.550 -7.613 326 1HE MET 43 1HE MET 43 -10.299 -4.445 -5.170 327 2HE MET 43 2HE MET 43 -8.692 -4.035 -5.814 328 3HE MET 43 3HE MET 43 -10.071 -2.950 -6.109 329 H SER 44 H SER 44 -7.400 -0.844 -8.701 330 HA SER 44 HA SER 44 -9.224 0.685 -10.282 331 1HB SER 44 1HB SER 44 -10.307 -0.380 -8.005 332 2HB SER 44 2HB SER 44 -9.643 1.105 -7.353 333 HG SER 44 HG SER 44 -11.901 0.756 -8.848 334 H SER 45 H SER 45 -9.018 3.107 -9.670 335 HA SER 45 HA SER 45 -6.401 3.554 -8.462 336 1HB SER 45 1HB SER 45 -6.024 5.372 -10.113 337 2HB SER 45 2HB SER 45 -6.199 3.812 -10.893 338 HG SER 45 HG SER 45 -7.702 6.082 -11.222 339 H ALA 46 H ALA 46 -6.168 5.636 -7.340 340 HA ALA 46 HA ALA 46 -8.505 7.298 -7.099 341 1HB ALA 46 1HB ALA 46 -8.095 6.877 -4.437 342 2HB ALA 46 2HB ALA 46 -9.334 6.030 -5.395 343 3HB ALA 46 3HB ALA 46 -7.768 5.247 -5.076 344 H VAL 47 H VAL 47 -7.876 9.394 -6.723 345 HA VAL 47 HA VAL 47 -5.061 9.888 -6.611 346 HB VAL 47 HB VAL 47 -7.421 11.776 -6.495 347 1HG1 VAL 47 1HG1 VAL 47 -4.976 12.493 -5.807 348 2HG1 VAL 47 2HG1 VAL 47 -4.718 12.515 -7.569 349 3HG1 VAL 47 3HG1 VAL 47 -5.977 13.541 -6.841 350 1HG2 VAL 47 1HG2 VAL 47 -7.518 10.392 -8.505 351 2HG2 VAL 47 2HG2 VAL 47 -7.064 12.063 -8.920 352 3HG2 VAL 47 3HG2 VAL 47 -5.823 10.787 -8.881 353 H VAL 48 H VAL 48 -3.823 10.218 -4.830 354 HA VAL 48 HA VAL 48 -5.115 11.179 -2.414 355 HB VAL 48 HB VAL 48 -4.616 9.393 -1.076 356 1HG1 VAL 48 1HG1 VAL 48 -5.438 7.364 -2.128 357 2HG1 VAL 48 2HG1 VAL 48 -6.344 8.765 -2.749 358 3HG1 VAL 48 3HG1 VAL 48 -5.074 8.015 -3.744 359 1HG2 VAL 48 1HG2 VAL 48 -2.608 8.447 -3.148 360 2HG2 VAL 48 2HG2 VAL 48 -2.246 9.225 -1.589 361 3HG2 VAL 48 3HG2 VAL 48 -2.986 7.607 -1.626 362 H GLN 49 H GLN 49 -3.386 11.728 -0.721 363 HA GLN 49 HA GLN 49 -1.021 12.624 -2.176 364 1HB GLN 49 1HB GLN 49 -2.529 13.879 0.152 365 2HB GLN 49 2HB GLN 49 -0.925 14.405 -0.318 366 1HG GLN 49 1HG GLN 49 -1.800 15.676 -1.976 367 2HG GLN 49 2HG GLN 49 -2.511 14.256 -2.717 368 1HE2 GLN 49 1HE2 GLN 49 -4.595 13.543 -2.024 369 2HE2 GLN 49 2HE2 GLN 49 -5.759 14.660 -1.392 370 H LEU 50 H LEU 50 0.969 11.921 -1.472 371 HA LEU 50 HA LEU 50 0.995 10.028 0.683 372 1HB LEU 50 1HB LEU 50 2.254 10.008 -1.596 373 2HB LEU 50 2HB LEU 50 3.414 11.034 -0.777 374 HG LEU 50 HG LEU 50 4.104 8.692 -0.752 375 1HD1 LEU 50 1HD1 LEU 50 4.840 10.111 1.073 376 2HD1 LEU 50 2HD1 LEU 50 3.357 9.746 1.989 377 3HD1 LEU 50 3HD1 LEU 50 4.540 8.457 1.662 378 1HD2 LEU 50 1HD2 LEU 50 2.364 7.540 1.171 379 2HD2 LEU 50 2HD2 LEU 50 1.352 8.220 -0.126 380 3HD2 LEU 50 3HD2 LEU 50 2.636 7.050 -0.519 381 H TYR 51 H TYR 51 1.343 10.482 2.787 382 HA TYR 51 HA TYR 51 2.875 12.913 3.389 383 1HB TYR 51 1HB TYR 51 0.279 11.776 4.599 384 2HB TYR 51 2HB TYR 51 1.171 13.090 5.341 385 HD1 TYR 51 1HD TYR 51 -1.644 12.463 3.517 386 HD2 TYR 51 2HD TYR 51 1.802 14.995 3.383 387 HE1 TYR 51 1HE TYR 51 -2.923 14.140 2.098 388 HE2 TYR 51 2HE TYR 51 0.512 16.664 1.964 389 HH TYR 51 HH TYR 51 -1.608 16.332 0.277 390 H ALA 52 H ALA 52 4.250 12.787 5.192 391 HA ALA 52 HA ALA 52 4.300 10.168 6.523 392 1HB ALA 52 1HB ALA 52 6.822 11.723 5.978 393 2HB ALA 52 2HB ALA 52 6.596 9.972 6.210 394 3HB ALA 52 3HB ALA 52 6.107 10.738 4.680 395 H ALA 53 H ALA 53 3.921 10.396 8.665 396 HA ALA 53 HA ALA 53 3.715 12.885 9.891 397 1HB ALA 53 1HB ALA 53 4.221 10.201 11.230 398 2HB ALA 53 2HB ALA 53 3.371 11.611 11.909 399 3HB ALA 53 3HB ALA 53 2.643 10.692 10.569 400 H ASP 54 H ASP 54 5.656 14.068 9.358 401 HA ASP 54 HA ASP 54 8.180 13.340 9.607 402 1HB ASP 54 1HB ASP 54 6.683 15.828 9.839 403 2HB ASP 54 2HB ASP 54 8.045 15.870 10.941 404 H ARG 55 H ARG 55 9.834 13.808 11.437 405 HA ARG 55 HA ARG 55 8.984 12.483 13.744 406 1HB ARG 55 1HB ARG 55 11.527 13.958 12.951 407 2HB ARG 55 2HB ARG 55 11.348 13.314 14.571 408 1HG ARG 55 1HG ARG 55 11.076 11.045 13.735 409 2HG ARG 55 2HG ARG 55 10.921 11.606 12.081 410 1HD ARG 55 1HD ARG 55 13.164 11.234 11.896 411 2HD ARG 55 2HD ARG 55 13.376 12.696 12.839 412 HE ARG 55 HE ARG 55 12.917 10.278 14.453 413 1HH1 ARG 55 2HH2 ARG 55 15.314 12.363 12.941 414 2HH1 ARG 55 1HH2 ARG 55 16.603 11.847 13.976 415 1HH2 ARG 55 2HH1 ARG 55 14.617 9.596 15.819 416 2HH2 ARG 55 1HH1 ARG 55 16.204 10.262 15.624 417 H ASN 56 H ASN 56 7.115 14.293 13.890 418 HA ASN 56 HA ASN 56 7.694 15.749 16.195 419 1HB ASN 56 1HB ASN 56 8.486 17.126 13.900 420 2HB ASN 56 2HB ASN 56 6.856 17.726 14.126 421 1HD2 ASN 56 1HD2 ASN 56 8.309 19.685 14.399 422 2HD2 ASN 56 2HD2 ASN 56 8.774 20.109 16.013 423 H CYS 57 H CYS 57 5.781 13.786 15.174 424 HA CYS 57 HA CYS 57 3.630 13.386 14.850 425 1HB CYS 57 1HB CYS 57 3.521 15.491 17.026 426 2HB CYS 57 2HB CYS 57 2.109 14.591 16.512 427 HG CYS 57 HG CYS 57 3.187 12.198 16.848 428 H MET 58 H MET 58 4.557 14.904 12.745 429 HA MET 58 HA MET 58 2.218 16.495 12.172 430 1HB MET 58 1HB MET 58 5.054 17.493 12.401 431 2HB MET 58 2HB MET 58 4.146 18.088 11.025 432 1HG MET 58 1HG MET 58 2.275 18.420 13.013 433 2HG MET 58 2HG MET 58 3.746 18.630 13.940 434 1HE MET 58 1HE MET 58 1.999 21.366 10.757 435 2HE MET 58 2HE MET 58 2.368 19.690 10.285 436 3HE MET 58 3HE MET 58 1.241 20.009 11.625 437 H TRP 59 H TRP 59 1.451 15.975 10.163 438 HA TRP 59 HA TRP 59 2.854 14.115 8.572 439 1HB TRP 59 1HB TRP 59 0.512 15.777 7.672 440 2HB TRP 59 2HB TRP 59 0.984 14.176 7.141 441 HD1 TRP 59 HD TRP 59 -1.170 15.883 9.718 442 HE1 TRP 59 1HE TRP 59 -2.383 14.169 11.317 443 HE3 TRP 59 3HE TRP 59 1.518 11.820 8.264 444 HZ2 TRP 59 2HZ TRP 59 -2.087 11.369 11.784 445 HZ3 TRP 59 3HZ TRP 59 0.993 9.634 9.341 446 HH2 TRP 59 HH TRP 59 -0.739 9.371 11.044 447 H SER 60 H SER 60 3.636 14.474 6.343 448 HA SER 60 HA SER 60 4.068 17.219 5.618 449 1HB SER 60 1HB SER 60 6.127 15.640 6.900 450 2HB SER 60 2HB SER 60 6.608 15.937 5.240 451 HG SER 60 HG SER 60 5.868 17.915 7.221 452 H LYS 61 H LYS 61 3.770 17.392 3.417 453 HA LYS 61 HA LYS 61 3.115 15.176 1.885 454 1HB LYS 61 1HB LYS 61 2.277 17.341 1.316 455 2HB LYS 61 2HB LYS 61 3.888 18.009 1.155 456 1HG LYS 61 1HG LYS 61 3.535 15.643 -0.558 457 2HG LYS 61 2HG LYS 61 2.328 16.866 -0.901 458 1HD LYS 61 1HD LYS 61 4.185 18.582 -1.080 459 2HD LYS 61 2HD LYS 61 5.353 17.294 -0.857 460 1HE LYS 61 1HE LYS 61 5.269 17.386 -3.192 461 2HE LYS 61 2HE LYS 61 4.067 16.147 -2.883 462 1HZ LYS 61 1HZ LYS 61 3.571 18.987 -3.421 463 2HZ LYS 61 2HZ LYS 61 3.125 17.709 -4.333 464 3HZ LYS 61 3HZ LYS 61 2.408 17.972 -2.890 465 H LYS 62 H LYS 62 4.251 13.755 0.622 466 HA LYS 62 HA LYS 62 7.155 14.196 0.555 467 1HB LYS 62 1HB LYS 62 5.721 12.071 1.664 468 2HB LYS 62 2HB LYS 62 6.285 11.445 0.128 469 1HG LYS 62 1HG LYS 62 8.260 13.015 1.767 470 2HG LYS 62 2HG LYS 62 7.820 11.425 2.361 471 1HD LYS 62 1HD LYS 62 8.305 10.579 -0.058 472 2HD LYS 62 2HD LYS 62 9.077 12.131 -0.319 473 1HE LYS 62 1HE LYS 62 10.182 11.335 2.114 474 2HE LYS 62 2HE LYS 62 10.010 9.806 1.272 475 1HZ LYS 62 1HZ LYS 62 11.330 10.563 -0.461 476 2HZ LYS 62 2HZ LYS 62 11.201 12.136 -0.040 477 3HZ LYS 62 3HZ LYS 62 12.096 11.117 0.870 478 H CYS 63 H CYS 63 4.239 13.072 -1.233 479 HA CYS 63 HA CYS 63 4.903 14.245 -3.587 480 1HB CYS 63 1HB CYS 63 6.531 11.872 -3.183 481 2HB CYS 63 2HB CYS 63 5.503 11.683 -4.589 482 HG CYS 63 HG CYS 63 6.050 14.207 -5.477 483 H SER 64 H SER 64 2.673 14.502 -3.823 484 HA SER 64 HA SER 64 0.989 12.217 -3.426 485 1HB SER 64 1HB SER 64 0.253 15.034 -4.338 486 2HB SER 64 2HB SER 64 -0.863 13.808 -3.770 487 HG SER 64 HG SER 64 0.989 15.398 -2.300 488 H GLY 65 H GLY 65 -0.913 12.052 -5.214 489 1HA GLY 65 1HA GLY 65 -0.743 12.713 -7.809 490 2HA GLY 65 2HA GLY 65 0.446 11.431 -7.696 491 H VAL 66 H VAL 66 -1.102 10.327 -9.241 492 HA VAL 66 HA VAL 66 -3.544 9.380 -7.989 493 HB VAL 66 HB VAL 66 -2.448 8.733 -10.725 494 1HG1 VAL 66 1HG1 VAL 66 -4.376 7.402 -9.730 495 2HG1 VAL 66 2HG1 VAL 66 -5.332 8.902 -9.814 496 3HG1 VAL 66 3HG1 VAL 66 -4.683 8.176 -11.303 497 1HG2 VAL 66 1HG2 VAL 66 -2.478 11.153 -10.541 498 2HG2 VAL 66 2HG2 VAL 66 -3.828 10.619 -11.570 499 3HG2 VAL 66 3HG2 VAL 66 -4.134 11.117 -9.889 500 H ALA 67 H ALA 67 -3.782 7.394 -7.060 501 HA ALA 67 HA ALA 67 -1.466 5.600 -7.279 502 1HB ALA 67 1HB ALA 67 -2.436 6.735 -5.032 503 2HB ALA 67 2HB ALA 67 -3.484 5.298 -5.097 504 3HB ALA 67 3HB ALA 67 -1.714 5.109 -5.053 505 H CYS 68 H CYS 68 -1.879 3.306 -7.505 506 HA CYS 68 HA CYS 68 -4.604 2.713 -8.386 507 1HB CYS 68 1HB CYS 68 -2.609 3.022 -10.195 508 2HB CYS 68 2HB CYS 68 -2.395 1.325 -9.815 509 HG CYS 68 HG CYS 68 -4.387 2.705 -11.714 510 H LEU 69 H LEU 69 -5.365 0.690 -7.654 511 HA LEU 69 HA LEU 69 -3.601 -0.641 -5.759 512 1HB LEU 69 1HB LEU 69 -6.239 0.136 -5.650 513 2HB LEU 69 2HB LEU 69 -6.366 -1.575 -6.005 514 HG LEU 69 HG LEU 69 -4.544 -0.703 -3.791 515 1HD1 LEU 69 1HD1 LEU 69 -7.170 0.191 -3.840 516 2HD1 LEU 69 2HD1 LEU 69 -7.236 -1.278 -2.838 517 3HD1 LEU 69 3HD1 LEU 69 -6.122 0.043 -2.410 518 1HD2 LEU 69 1HD2 LEU 69 -5.956 -2.920 -2.981 519 2HD2 LEU 69 2HD2 LEU 69 -5.814 -3.171 -4.737 520 3HD2 LEU 69 3HD2 LEU 69 -4.351 -2.929 -3.751 521 H VAL 70 H VAL 70 -2.371 -2.279 -6.502 522 HA VAL 70 HA VAL 70 -3.369 -3.764 -8.813 523 HB VAL 70 HB VAL 70 -0.638 -3.535 -7.538 524 1HG1 VAL 70 1HG1 VAL 70 0.167 -5.200 -8.835 525 2HG1 VAL 70 2HG1 VAL 70 -1.528 -5.744 -8.866 526 3HG1 VAL 70 3HG1 VAL 70 -0.879 -4.775 -10.211 527 1HG2 VAL 70 1HG2 VAL 70 -0.371 -2.675 -10.109 528 2HG2 VAL 70 2HG2 VAL 70 -2.027 -2.136 -9.745 529 3HG2 VAL 70 3HG2 VAL 70 -0.673 -1.607 -8.718 530 H LYS 71 H LYS 71 -3.737 -5.990 -8.749 531 HA LYS 71 HA LYS 71 -3.555 -7.165 -6.061 532 1HB LYS 71 1HB LYS 71 -5.575 -8.414 -6.542 533 2HB LYS 71 2HB LYS 71 -5.876 -6.696 -6.715 534 1HG LYS 71 1HG LYS 71 -6.372 -6.897 -8.932 535 2HG LYS 71 2HG LYS 71 -4.957 -7.881 -9.245 536 1HD LYS 71 1HD LYS 71 -7.030 -9.305 -7.679 537 2HD LYS 71 2HD LYS 71 -7.603 -8.782 -9.251 538 1HE LYS 71 1HE LYS 71 -4.982 -9.831 -9.689 539 2HE LYS 71 2HE LYS 71 -5.771 -10.958 -8.604 540 1HZ LYS 71 1HZ LYS 71 -7.408 -11.373 -10.127 541 2HZ LYS 71 2HZ LYS 71 -7.210 -9.969 -10.938 542 3HZ LYS 71 3HZ LYS 71 -6.120 -11.173 -11.112 543 H ASP 72 H ASP 72 -2.703 -9.250 -5.876 544 HA ASP 72 HA ASP 72 -0.905 -9.956 -7.878 545 1HB ASP 72 1HB ASP 72 -0.900 -12.191 -6.450 546 2HB ASP 72 2HB ASP 72 -0.247 -10.713 -5.774 547 H ASN 73 H ASN 73 -1.087 -11.519 -9.555 548 HA ASN 73 HA ASN 73 -3.731 -12.322 -10.187 549 1HB ASN 73 1HB ASN 73 -1.331 -11.882 -11.611 550 2HB ASN 73 2HB ASN 73 -1.562 -13.615 -11.732 551 1HD2 ASN 73 1HD2 ASN 73 -1.862 -11.213 -13.581 552 2HD2 ASN 73 2HD2 ASN 73 -3.400 -11.423 -14.350 553 HA PRO 74 HA PRO 74 -1.656 -16.529 -9.254 554 1HB PRO 74 1HB PRO 74 0.814 -16.587 -8.086 555 2HB PRO 74 2HB PRO 74 0.567 -16.729 -9.816 556 1HG PRO 74 1HG PRO 74 1.558 -14.413 -8.269 557 2HG PRO 74 2HG PRO 74 1.703 -14.729 -9.986 558 1HD PRO 74 1HD PRO 74 -0.113 -12.902 -8.725 559 2HD PRO 74 2HD PRO 74 -0.046 -13.304 -10.429 560 H GLN 75 H GLN 75 -1.699 -13.900 -7.165 561 HA GLN 75 HA GLN 75 -2.625 -13.725 -5.189 562 1HB GLN 75 1HB GLN 75 -3.709 -16.131 -5.968 563 2HB GLN 75 2HB GLN 75 -2.855 -16.618 -4.519 564 1HG GLN 75 1HG GLN 75 -4.007 -14.361 -3.553 565 2HG GLN 75 2HG GLN 75 -5.169 -14.720 -4.814 566 1HE2 GLN 75 1HE2 GLN 75 -5.833 -17.082 -4.941 567 2HE2 GLN 75 2HE2 GLN 75 -6.212 -17.879 -3.449 568 H ARG 76 H ARG 76 -0.305 -13.030 -4.846 569 HA ARG 76 HA ARG 76 0.957 -14.882 -2.985 570 1HB ARG 76 1HB ARG 76 2.048 -13.396 -5.306 571 2HB ARG 76 2HB ARG 76 2.989 -13.147 -3.849 572 1HG ARG 76 1HG ARG 76 2.525 -15.891 -3.767 573 2HG ARG 76 2HG ARG 76 2.666 -15.600 -5.490 574 1HD ARG 76 1HD ARG 76 4.888 -14.804 -5.317 575 2HD ARG 76 2HD ARG 76 4.711 -14.363 -3.630 576 HE ARG 76 HE ARG 76 5.330 -16.535 -3.035 577 1HH1 ARG 76 2HH2 ARG 76 4.230 -16.546 -6.378 578 2HH1 ARG 76 1HH2 ARG 76 4.658 -18.202 -6.647 579 1HH2 ARG 76 2HH1 ARG 76 5.896 -18.720 -3.391 580 2HH2 ARG 76 1HH1 ARG 76 5.612 -19.447 -4.938 581 H SER 77 H SER 77 0.059 -11.532 -3.852 582 HA SER 77 HA SER 77 -0.413 -10.712 -1.333 583 1HB SER 77 1HB SER 77 2.409 -10.922 -1.702 584 2HB SER 77 2HB SER 77 2.045 -9.207 -1.713 585 HG SER 77 HG SER 77 1.948 -9.363 0.414 586 H TYR 78 H TYR 78 -0.494 -8.176 -1.207 587 HA TYR 78 HA TYR 78 -1.240 -7.244 -3.873 588 1HB TYR 78 1HB TYR 78 -1.682 -6.294 -0.975 589 2HB TYR 78 2HB TYR 78 -2.328 -5.438 -2.361 590 HD1 TYR 78 1HD TYR 78 -3.458 -7.242 0.188 591 HD2 TYR 78 2HD TYR 78 -3.390 -7.535 -4.081 592 HE1 TYR 78 1HE TYR 78 -5.537 -8.705 0.248 593 HE2 TYR 78 2HE TYR 78 -5.470 -8.996 -4.006 594 HH TYR 78 HH TYR 78 -6.690 -10.243 -1.012 595 H PHE 79 H PHE 79 -0.407 -5.350 -4.802 596 HA PHE 79 HA PHE 79 1.848 -4.171 -3.336 597 1HB PHE 79 1HB PHE 79 1.418 -4.851 -6.305 598 2HB PHE 79 2HB PHE 79 2.750 -3.853 -5.757 599 HD1 PHE 79 1HD PHE 79 1.270 -7.239 -5.421 600 HD2 PHE 79 2HD PHE 79 4.739 -4.833 -4.988 601 HE1 PHE 79 1HE PHE 79 2.650 -9.299 -5.028 602 HE2 PHE 79 2HE PHE 79 6.118 -6.893 -4.594 603 HZ PHE 79 HZ PHE 79 5.058 -9.101 -4.619 604 H LEU 80 H LEU 80 1.757 -1.983 -3.066 605 HA LEU 80 HA LEU 80 -0.361 -0.594 -4.533 606 1HB LEU 80 1HB LEU 80 0.550 -0.590 -1.811 607 2HB LEU 80 2HB LEU 80 0.725 1.020 -2.481 608 HG LEU 80 HG LEU 80 -1.401 0.952 -1.463 609 1HD1 LEU 80 1HD1 LEU 80 -1.201 1.880 -3.857 610 2HD1 LEU 80 2HD1 LEU 80 -2.136 0.443 -4.340 611 3HD1 LEU 80 3HD1 LEU 80 -2.827 1.609 -3.187 612 1HD2 LEU 80 1HD2 LEU 80 -2.074 -1.165 -1.022 613 2HD2 LEU 80 2HD2 LEU 80 -3.068 -0.887 -2.471 614 3HD2 LEU 80 3HD2 LEU 80 -1.540 -1.790 -2.601 615 H ARG 81 H ARG 81 0.060 1.295 -5.725 616 HA ARG 81 HA ARG 81 2.817 2.124 -5.841 617 1HB ARG 81 1HB ARG 81 1.215 1.114 -8.239 618 2HB ARG 81 2HB ARG 81 2.635 2.125 -8.426 619 1HG ARG 81 1HG ARG 81 2.842 -0.344 -6.694 620 2HG ARG 81 2HG ARG 81 2.830 -0.544 -8.435 621 1HD ARG 81 1HD ARG 81 4.650 1.495 -8.221 622 2HD ARG 81 2HD ARG 81 4.916 0.701 -6.683 623 HE ARG 81 HE ARG 81 5.709 -0.299 -9.265 624 1HH1 ARG 81 2HH2 ARG 81 4.458 -1.392 -6.162 625 2HH1 ARG 81 1HH2 ARG 81 5.142 -2.978 -6.301 626 1HH2 ARG 81 2HH1 ARG 81 6.613 -2.390 -9.447 627 2HH2 ARG 81 1HH1 ARG 81 6.376 -3.549 -8.181 628 H ILE 82 H ILE 82 3.050 4.340 -6.550 629 HA ILE 82 HA ILE 82 0.517 5.707 -7.113 630 HB ILE 82 HB ILE 82 2.543 6.271 -4.991 631 1HG1 ILE 82 1HG1 ILE 82 -0.437 6.719 -4.913 632 2HG1 ILE 82 2HG1 ILE 82 0.240 5.118 -4.697 633 1HG2 ILE 82 1HG2 ILE 82 2.650 8.303 -6.242 634 2HG2 ILE 82 2HG2 ILE 82 0.880 8.357 -6.419 635 3HG2 ILE 82 3HG2 ILE 82 1.621 8.593 -4.818 636 1HD1 ILE 82 1HD1 ILE 82 0.566 5.641 -2.517 637 2HD1 ILE 82 2HD1 ILE 82 1.823 6.785 -3.048 638 3HD1 ILE 82 3HD1 ILE 82 0.151 7.346 -2.815 639 H PHE 83 H PHE 83 0.601 7.245 -8.732 640 HA PHE 83 HA PHE 83 3.259 7.617 -9.926 641 1HB PHE 83 1HB PHE 83 1.336 8.132 -11.894 642 2HB PHE 83 2HB PHE 83 2.161 6.596 -11.705 643 HD1 PHE 83 1HD PHE 83 1.019 5.111 -9.705 644 HD2 PHE 83 2HD PHE 83 -0.944 7.999 -12.118 645 HE1 PHE 83 1HE PHE 83 -1.180 3.986 -9.263 646 HE2 PHE 83 2HE PHE 83 -3.143 6.873 -11.676 647 HZ PHE 83 HZ PHE 83 -3.235 4.879 -10.254 648 H ASP 84 H ASP 84 3.791 9.707 -10.735 649 HA ASP 84 HA ASP 84 2.592 11.787 -9.290 650 1HB ASP 84 1HB ASP 84 5.013 11.637 -10.111 651 2HB ASP 84 2HB ASP 84 4.425 11.992 -11.723 652 H ILE 85 H ILE 85 1.800 13.880 -10.497 653 HA ILE 85 HA ILE 85 0.063 13.032 -12.703 654 HB ILE 85 HB ILE 85 -1.164 13.722 -10.777 655 1HG1 ILE 85 1HG1 ILE 85 -1.379 16.149 -12.521 656 2HG1 ILE 85 2HG1 ILE 85 -1.684 14.576 -13.232 657 1HG2 ILE 85 1HG2 ILE 85 -0.787 16.365 -10.274 658 2HG2 ILE 85 2HG2 ILE 85 -0.041 15.042 -9.347 659 3HG2 ILE 85 3HG2 ILE 85 0.877 15.850 -10.640 660 1HD1 ILE 85 1HD1 ILE 85 -3.789 15.507 -12.391 661 2HD1 ILE 85 2HD1 ILE 85 -3.342 14.095 -11.403 662 3HD1 ILE 85 3HD1 ILE 85 -3.077 15.740 -10.776 663 H LYS 86 H LYS 86 2.965 14.623 -12.018 664 HA LYS 86 HA LYS 86 2.628 16.357 -14.364 665 1HB LYS 86 1HB LYS 86 3.341 17.099 -11.814 666 2HB LYS 86 2HB LYS 86 4.906 16.888 -12.573 667 1HG LYS 86 1HG LYS 86 3.037 18.275 -14.367 668 2HG LYS 86 2HG LYS 86 3.187 19.117 -12.837 669 1HD LYS 86 1HD LYS 86 5.284 19.840 -13.339 670 2HD LYS 86 2HD LYS 86 5.815 18.224 -13.760 671 1HE LYS 86 1HE LYS 86 5.597 18.621 -15.995 672 2HE LYS 86 2HE LYS 86 3.994 19.304 -15.799 673 1HZ LYS 86 1HZ LYS 86 6.464 20.637 -16.058 674 2HZ LYS 86 2HZ LYS 86 4.950 21.236 -16.192 675 3HZ LYS 86 3HZ LYS 86 5.670 21.152 -14.728 676 H ASP 87 H ASP 87 4.777 14.043 -12.624 677 HA ASP 87 HA ASP 87 6.431 13.914 -14.984 678 1HB ASP 87 1HB ASP 87 6.906 13.660 -12.218 679 2HB ASP 87 2HB ASP 87 7.031 12.015 -12.809 680 H GLY 88 H GLY 88 3.672 12.428 -13.555 681 1HA GLY 88 1HA GLY 88 2.605 10.457 -13.824 682 2HA GLY 88 2HA GLY 88 3.120 10.614 -15.491 683 H LYS 89 H LYS 89 4.981 9.987 -12.431 684 HA LYS 89 HA LYS 89 5.678 7.362 -13.498 685 1HB LYS 89 1HB LYS 89 7.617 9.575 -12.828 686 2HB LYS 89 2HB LYS 89 8.088 7.890 -12.717 687 1HG LYS 89 1HG LYS 89 6.658 8.580 -15.234 688 2HG LYS 89 2HG LYS 89 8.184 9.418 -15.030 689 1HD LYS 89 1HD LYS 89 9.413 7.515 -15.343 690 2HD LYS 89 2HD LYS 89 8.370 6.560 -14.308 691 1HE LYS 89 1HE LYS 89 7.040 5.849 -16.061 692 2HE LYS 89 2HE LYS 89 7.149 7.377 -16.909 693 1HZ LYS 89 1HZ LYS 89 9.622 6.580 -17.142 694 2HZ LYS 89 2HZ LYS 89 8.927 5.107 -17.016 695 3HZ LYS 89 3HZ LYS 89 8.468 6.128 -18.205 696 H LEU 90 H LEU 90 6.852 6.045 -11.721 697 HA LEU 90 HA LEU 90 5.186 6.011 -9.479 698 1HB LEU 90 1HB LEU 90 6.054 3.969 -10.010 699 2HB LEU 90 2HB LEU 90 7.647 4.601 -10.376 700 HG LEU 90 HG LEU 90 6.780 4.759 -7.533 701 1HD1 LEU 90 1HD1 LEU 90 6.855 2.234 -9.042 702 2HD1 LEU 90 2HD1 LEU 90 7.856 2.248 -7.569 703 3HD1 LEU 90 3HD1 LEU 90 6.118 2.619 -7.468 704 1HD2 LEU 90 1HD2 LEU 90 8.938 5.588 -7.986 705 2HD2 LEU 90 2HD2 LEU 90 9.187 3.987 -7.248 706 3HD2 LEU 90 3HD2 LEU 90 9.353 4.193 -9.009 707 H LEU 91 H LEU 91 5.168 7.226 -7.668 708 HA LEU 91 HA LEU 91 7.644 8.687 -7.058 709 1HB LEU 91 1HB LEU 91 4.775 9.474 -7.057 710 2HB LEU 91 2HB LEU 91 5.795 10.137 -5.796 711 HG LEU 91 HG LEU 91 6.287 10.393 -8.776 712 1HD1 LEU 91 1HD1 LEU 91 4.344 11.681 -8.052 713 2HD1 LEU 91 2HD1 LEU 91 5.311 12.442 -6.766 714 3HD1 LEU 91 3HD1 LEU 91 5.701 12.752 -8.475 715 1HD2 LEU 91 1HD2 LEU 91 7.991 12.107 -8.022 716 2HD2 LEU 91 2HD2 LEU 91 7.828 11.421 -6.387 717 3HD2 LEU 91 3HD2 LEU 91 8.407 10.401 -7.725 718 H TRP 92 H TRP 92 5.539 6.162 -6.140 719 HA TRP 92 HA TRP 92 6.923 5.894 -3.641 720 1HB TRP 92 1HB TRP 92 5.175 7.443 -2.967 721 2HB TRP 92 2HB TRP 92 3.943 6.401 -3.651 722 HD1 TRP 92 HD TRP 92 6.607 6.237 -0.799 723 HE1 TRP 92 1HE TRP 92 5.758 4.703 1.174 724 HE3 TRP 92 3HE TRP 92 2.319 4.757 -3.096 725 HZ2 TRP 92 2HZ TRP 92 3.441 3.079 1.544 726 HZ3 TRP 92 3HZ TRP 92 0.818 3.196 -1.859 727 HH2 TRP 92 HH TRP 92 1.320 2.362 0.382 728 H GLU 93 H GLU 93 6.737 3.694 -2.860 729 HA GLU 93 HA GLU 93 5.012 1.941 -4.329 730 1HB GLU 93 1HB GLU 93 7.010 2.063 -5.794 731 2HB GLU 93 2HB GLU 93 8.043 1.617 -4.450 732 1HG GLU 93 1HG GLU 93 5.810 -0.277 -4.795 733 2HG GLU 93 2HG GLU 93 6.789 -0.151 -6.242 734 H GLN 94 H GLN 94 4.190 0.475 -2.892 735 HA GLN 94 HA GLN 94 5.893 -0.191 -0.624 736 1HB GLN 94 1HB GLN 94 3.553 1.366 -0.484 737 2HB GLN 94 2HB GLN 94 3.026 -0.228 0.018 738 1HG GLN 94 1HG GLN 94 5.297 1.417 1.217 739 2HG GLN 94 2HG GLN 94 3.789 0.979 1.994 740 1HE2 GLN 94 1HE2 GLN 94 3.523 -1.658 1.224 741 2HE2 GLN 94 2HE2 GLN 94 4.758 -2.629 1.957 742 H GLU 95 H GLU 95 5.912 -2.376 -0.039 743 HA GLU 95 HA GLU 95 4.314 -4.065 -1.790 744 1HB GLU 95 1HB GLU 95 7.035 -4.325 -0.540 745 2HB GLU 95 2HB GLU 95 6.120 -5.801 -0.780 746 1HG GLU 95 1HG GLU 95 5.731 -4.972 -3.215 747 2HG GLU 95 2HG GLU 95 6.976 -3.782 -2.893 748 H LEU 96 H LEU 96 2.367 -4.015 -0.525 749 HA LEU 96 HA LEU 96 2.057 -4.225 2.128 750 1HB LEU 96 1HB LEU 96 0.430 -5.766 0.104 751 2HB LEU 96 2HB LEU 96 -0.082 -5.259 1.700 752 HG LEU 96 HG LEU 96 0.553 -3.440 -0.638 753 1HD1 LEU 96 1HD1 LEU 96 -1.526 -4.006 -1.243 754 2HD1 LEU 96 2HD1 LEU 96 -1.907 -4.708 0.347 755 3HD1 LEU 96 3HD1 LEU 96 -2.039 -2.951 0.095 756 1HD2 LEU 96 1HD2 LEU 96 -0.231 -1.601 0.786 757 2HD2 LEU 96 2HD2 LEU 96 -0.371 -2.725 2.158 758 3HD2 LEU 96 3HD2 LEU 96 1.225 -2.381 1.448 759 H TYR 97 H TYR 97 1.497 -6.102 3.566 760 HA TYR 97 HA TYR 97 3.223 -8.390 2.895 761 1HB TYR 97 1HB TYR 97 3.115 -8.427 5.587 762 2HB TYR 97 2HB TYR 97 4.211 -7.318 4.787 763 HD1 TYR 97 1HD TYR 97 0.983 -7.600 6.567 764 HD2 TYR 97 2HD TYR 97 3.854 -4.929 4.857 765 HE1 TYR 97 1HE TYR 97 -0.132 -5.640 7.740 766 HE2 TYR 97 2HE TYR 97 2.728 -2.977 6.035 767 HH TYR 97 HH TYR 97 1.350 -2.555 7.899 768 H ASN 98 H ASN 98 2.573 -10.470 3.978 769 HA ASN 98 HA ASN 98 0.083 -11.202 3.273 770 1HB ASN 98 1HB ASN 98 2.236 -12.512 4.295 771 2HB ASN 98 2HB ASN 98 1.247 -12.498 5.740 772 1HD2 ASN 98 1HD2 ASN 98 1.984 -14.819 4.432 773 2HD2 ASN 98 2HD2 ASN 98 0.593 -15.598 3.758 774 H ASN 99 H ASN 99 -1.917 -11.621 4.529 775 HA ASN 99 HA ASN 99 -3.520 -10.924 5.828 776 1HB ASN 99 1HB ASN 99 -1.340 -11.869 7.564 777 2HB ASN 99 2HB ASN 99 -2.333 -10.696 8.405 778 1HD2 ASN 99 1HD2 ASN 99 -3.549 -11.853 9.719 779 2HD2 ASN 99 2HD2 ASN 99 -4.596 -13.160 9.276 780 H PHE 100 H PHE 100 -2.959 -8.706 4.601 781 HA PHE 100 HA PHE 100 -1.876 -6.700 6.385 782 1HB PHE 100 1HB PHE 100 -1.420 -6.932 3.853 783 2HB PHE 100 2HB PHE 100 -3.109 -6.558 3.568 784 HD1 PHE 100 1HD PHE 100 0.063 -5.188 4.877 785 HD2 PHE 100 2HD PHE 100 -3.884 -4.317 3.587 786 HE1 PHE 100 1HE PHE 100 0.610 -2.738 4.858 787 HE2 PHE 100 2HE PHE 100 -3.338 -1.867 3.568 788 HZ PHE 100 HZ PHE 100 -1.097 -1.106 4.203 789 H VAL 101 H VAL 101 -3.039 -4.782 7.028 790 HA VAL 101 HA VAL 101 -5.956 -5.074 6.817 791 HB VAL 101 HB VAL 101 -5.293 -5.763 9.015 792 1HG1 VAL 101 1HG1 VAL 101 -3.435 -5.001 9.981 793 2HG1 VAL 101 2HG1 VAL 101 -3.260 -3.766 8.711 794 3HG1 VAL 101 3HG1 VAL 101 -4.199 -3.406 10.180 795 1HG2 VAL 101 1HG2 VAL 101 -6.676 -4.365 10.311 796 2HG2 VAL 101 2HG2 VAL 101 -6.255 -2.918 9.363 797 3HG2 VAL 101 3HG2 VAL 101 -7.284 -4.182 8.649 798 H TYR 102 H TYR 102 -7.141 -2.996 6.973 799 HA TYR 102 HA TYR 102 -5.443 -0.774 6.051 800 1HB TYR 102 1HB TYR 102 -7.506 -2.208 4.771 801 2HB TYR 102 2HB TYR 102 -8.389 -0.865 5.467 802 HD1 TYR 102 1HD TYR 102 -4.903 -0.784 4.141 803 HD2 TYR 102 2HD TYR 102 -8.979 0.362 3.535 804 HE1 TYR 102 1HE TYR 102 -4.206 0.690 2.190 805 HE2 TYR 102 2HE TYR 102 -8.270 1.832 1.587 806 HH TYR 102 HH TYR 102 -6.166 3.036 0.915 807 H ASN 103 H ASN 103 -5.424 0.992 7.348 808 HA ASN 103 HA ASN 103 -7.419 1.073 9.435 809 1HB ASN 103 1HB ASN 103 -4.743 2.449 8.971 810 2HB ASN 103 2HB ASN 103 -5.851 3.078 10.174 811 1HD2 ASN 103 1HD2 ASN 103 -3.993 0.278 9.141 812 2HD2 ASN 103 2HD2 ASN 103 -3.883 -0.517 10.676 813 H SER 104 H SER 104 -9.117 2.568 9.327 814 HA SER 104 HA SER 104 -8.700 4.956 7.764 815 1HB SER 104 1HB SER 104 -10.801 4.668 6.507 816 2HB SER 104 2HB SER 104 -9.691 3.358 6.160 817 HG SER 104 HG SER 104 -10.869 1.988 7.601 818 HA PRO 105 HA PRO 105 -11.044 5.449 11.660 819 1HB PRO 105 1HB PRO 105 -9.315 7.118 12.961 820 2HB PRO 105 2HB PRO 105 -9.328 5.382 13.194 821 1HG PRO 105 1HG PRO 105 -7.401 7.033 11.677 822 2HG PRO 105 2HG PRO 105 -7.213 5.396 12.275 823 1HD PRO 105 1HD PRO 105 -7.744 6.185 9.569 824 2HD PRO 105 2HD PRO 105 -7.670 4.548 10.187 825 H ARG 106 H ARG 106 -9.760 7.446 9.258 826 HA ARG 106 HA ARG 106 -11.392 9.640 10.200 827 1HB ARG 106 1HB ARG 106 -8.874 9.499 8.908 828 2HB ARG 106 2HB ARG 106 -9.959 10.094 7.669 829 1HG ARG 106 1HG ARG 106 -9.159 12.047 8.806 830 2HG ARG 106 2HG ARG 106 -10.800 11.818 9.374 831 1HD ARG 106 1HD ARG 106 -9.070 10.280 11.095 832 2HD ARG 106 2HD ARG 106 -8.361 11.873 10.923 833 HE ARG 106 HE ARG 106 -11.019 12.455 11.370 834 1HH1 ARG 106 2HH2 ARG 106 -8.683 10.436 13.061 835 2HH1 ARG 106 1HH2 ARG 106 -9.419 10.662 14.612 836 1HH2 ARG 106 2HH1 ARG 106 -11.990 12.753 13.417 837 2HH2 ARG 106 1HH1 ARG 106 -11.313 11.990 14.816 838 H GLY 107 H GLY 107 -12.329 10.933 8.045 839 1HA GLY 107 1HA GLY 107 -14.406 9.296 7.059 840 2HA GLY 107 2HA GLY 107 -14.007 10.923 6.546 841 H TYR 108 H TYR 108 -11.472 10.749 5.467 842 HA TYR 108 HA TYR 108 -11.541 8.534 3.564 843 1HB TYR 108 1HB TYR 108 -11.001 10.501 1.851 844 2HB TYR 108 2HB TYR 108 -12.673 10.249 2.310 845 HD1 TYR 108 1HD TYR 108 -13.884 12.162 2.782 846 HD2 TYR 108 2HD TYR 108 -9.695 12.120 3.647 847 HE1 TYR 108 1HE TYR 108 -14.019 14.571 3.584 848 HE2 TYR 108 2HE TYR 108 -9.843 14.529 4.446 849 HH TYR 108 HH TYR 108 -11.856 16.550 3.706 850 H PHE 109 H PHE 109 -9.823 8.807 5.792 851 HA PHE 109 HA PHE 109 -7.314 9.296 4.377 852 1HB PHE 109 1HB PHE 109 -8.305 11.120 6.128 853 2HB PHE 109 2HB PHE 109 -7.699 9.987 7.320 854 HD1 PHE 109 1HD PHE 109 -6.893 12.949 6.139 855 HD2 PHE 109 2HD PHE 109 -5.190 9.063 6.175 856 HE1 PHE 109 1HE PHE 109 -4.602 13.952 5.927 857 HE2 PHE 109 2HE PHE 109 -2.899 10.065 5.963 858 HZ PHE 109 HZ PHE 109 -2.632 12.498 5.841 859 H HIS 110 H HIS 110 -6.266 7.367 4.346 860 HA HIS 110 HA HIS 110 -6.642 5.636 6.675 861 1HB HIS 110 1HB HIS 110 -5.682 4.808 3.929 862 2HB HIS 110 2HB HIS 110 -6.177 3.767 5.249 863 HD2 HIS 110 2HD HIS 110 -8.994 5.910 5.622 864 HE1 HIS 110 1HE HIS 110 -10.032 3.851 2.044 865 HE2 HIS 110 2HE HIS 110 -10.881 5.274 4.032 866 H THR 111 H THR 111 -4.869 4.947 7.864 867 HA THR 111 HA THR 111 -2.359 6.295 7.201 868 HB THR 111 HB THR 111 -1.860 5.559 9.625 869 HG1 THR 111 1HG THR 111 -3.468 3.832 9.622 870 1HG2 THR 111 1HG2 THR 111 -4.034 7.444 8.769 871 2HG2 THR 111 2HG2 THR 111 -4.051 6.958 10.481 872 3HG2 THR 111 3HG2 THR 111 -2.612 7.751 9.796 873 H PHE 112 H PHE 112 -0.296 5.101 7.545 874 HA PHE 112 HA PHE 112 -0.477 2.242 7.263 875 1HB PHE 112 1HB PHE 112 -0.794 3.161 4.931 876 2HB PHE 112 2HB PHE 112 0.645 4.143 5.117 877 HD1 PHE 112 1HD PHE 112 -0.641 0.828 4.394 878 HD2 PHE 112 2HD PHE 112 2.876 3.079 5.149 879 HE1 PHE 112 1HE PHE 112 0.754 -1.036 3.457 880 HE2 PHE 112 2HE PHE 112 4.271 1.215 4.212 881 HZ PHE 112 HZ PHE 112 3.193 -0.821 3.377 882 H ALA 113 H ALA 113 1.856 1.305 6.996 883 HA ALA 113 HA ALA 113 3.581 2.911 8.737 884 1HB ALA 113 1HB ALA 113 3.619 0.961 9.868 885 2HB ALA 113 2HB ALA 113 2.861 0.080 8.519 886 3HB ALA 113 3HB ALA 113 4.623 0.326 8.543 887 H GLY 114 H GLY 114 4.596 4.286 7.238 888 1HA GLY 114 1HA GLY 114 5.463 3.676 4.706 889 2HA GLY 114 2HA GLY 114 6.202 4.856 5.770 890 H ASP 115 H ASP 115 8.126 3.980 4.365 891 HA ASP 115 HA ASP 115 9.196 1.596 4.403 892 1HB ASP 115 1HB ASP 115 10.150 4.089 3.874 893 2HB ASP 115 2HB ASP 115 11.061 3.763 5.335 894 H THR 116 H THR 116 10.093 4.029 6.976 895 HA THR 116 HA THR 116 9.868 1.954 9.006 896 HB THR 116 HB THR 116 12.172 2.184 9.715 897 HG1 THR 116 1HG THR 116 12.132 4.289 7.666 898 1HG2 THR 116 1HG2 THR 116 11.942 0.819 7.587 899 2HG2 THR 116 2HG2 THR 116 12.244 2.305 6.655 900 3HG2 THR 116 3HG2 THR 116 13.512 1.648 7.716 901 H CYS 117 H CYS 117 8.740 4.729 7.985 902 HA CYS 117 HA CYS 117 8.754 5.862 10.683 903 1HB CYS 117 1HB CYS 117 9.747 7.110 8.277 904 2HB CYS 117 2HB CYS 117 8.347 7.993 8.852 905 HG CYS 117 HG CYS 117 9.359 9.082 10.694 906 H GLN 118 H GLN 118 6.718 7.139 11.118 907 HA GLN 118 HA GLN 118 4.501 5.702 10.251 908 1HB GLN 118 1HB GLN 118 4.493 6.769 12.424 909 2HB GLN 118 2HB GLN 118 4.787 8.349 11.726 910 1HG GLN 118 1HG GLN 118 2.432 8.253 12.250 911 2HG GLN 118 2HG GLN 118 2.560 8.151 10.506 912 1HE2 GLN 118 1HE2 GLN 118 0.285 7.332 11.403 913 2HE2 GLN 118 2HE2 GLN 118 0.115 5.607 11.443 914 H VAL 119 H VAL 119 3.476 5.803 8.304 915 HA VAL 119 HA VAL 119 3.538 8.395 6.917 916 HB VAL 119 HB VAL 119 4.834 6.260 6.054 917 1HG1 VAL 119 1HG1 VAL 119 2.738 4.856 6.144 918 2HG1 VAL 119 2HG1 VAL 119 2.111 5.826 4.791 919 3HG1 VAL 119 3HG1 VAL 119 3.585 4.851 4.578 920 1HG2 VAL 119 1HG2 VAL 119 3.183 7.741 4.010 921 2HG2 VAL 119 2HG2 VAL 119 4.403 8.592 4.988 922 3HG2 VAL 119 3HG2 VAL 119 4.891 7.240 3.938 923 H ALA 120 H ALA 120 1.617 8.767 5.474 924 HA ALA 120 HA ALA 120 -0.721 7.197 6.151 925 1HB ALA 120 1HB ALA 120 -1.906 8.870 7.242 926 2HB ALA 120 2HB ALA 120 -0.262 9.169 7.858 927 3HB ALA 120 3HB ALA 120 -0.917 10.174 6.543 928 H LEU 121 H LEU 121 -2.622 7.896 4.769 929 HA LEU 121 HA LEU 121 -1.759 9.362 2.394 930 1HB LEU 121 1HB LEU 121 -2.761 7.659 0.945 931 2HB LEU 121 2HB LEU 121 -1.349 7.089 1.812 932 HG LEU 121 HG LEU 121 -3.926 6.521 3.145 933 1HD1 LEU 121 1HD1 LEU 121 -5.016 5.597 1.453 934 2HD1 LEU 121 2HD1 LEU 121 -3.689 6.006 0.340 935 3HD1 LEU 121 3HD1 LEU 121 -3.669 4.458 1.219 936 1HD2 LEU 121 1HD2 LEU 121 -1.233 5.410 2.928 937 2HD2 LEU 121 2HD2 LEU 121 -2.435 5.269 4.233 938 3HD2 LEU 121 3HD2 LEU 121 -2.506 4.170 2.835 939 H ASN 122 H ASN 122 -3.342 10.680 1.529 940 HA ASN 122 HA ASN 122 -5.969 10.389 2.755 941 1HB ASN 122 1HB ASN 122 -4.636 12.348 3.696 942 2HB ASN 122 2HB ASN 122 -4.569 13.031 2.083 943 1HD2 ASN 122 1HD2 ASN 122 -5.701 14.269 4.338 944 2HD2 ASN 122 2HD2 ASN 122 -7.397 14.500 4.078 945 H PHE 123 H PHE 123 -7.473 10.030 1.116 946 HA PHE 123 HA PHE 123 -6.752 10.336 -1.596 947 1HB PHE 123 1HB PHE 123 -9.469 9.985 -0.190 948 2HB PHE 123 2HB PHE 123 -9.173 9.641 -1.883 949 HD1 PHE 123 1HD PHE 123 -8.035 7.623 -2.559 950 HD2 PHE 123 2HD PHE 123 -8.576 8.510 1.555 951 HE1 PHE 123 1HE PHE 123 -7.418 5.262 -1.969 952 HE2 PHE 123 2HE PHE 123 -7.960 6.149 2.145 953 HZ PHE 123 HZ PHE 123 -7.388 4.554 0.375 954 H ALA 124 H ALA 124 -8.117 11.586 -3.212 955 HA ALA 124 HA ALA 124 -8.305 14.309 -2.288 956 1HB ALA 124 1HB ALA 124 -8.779 14.701 -4.747 957 2HB ALA 124 2HB ALA 124 -7.222 13.910 -4.401 958 3HB ALA 124 3HB ALA 124 -8.599 12.947 -4.991 959 H ASN 125 H ASN 125 -10.435 11.611 -3.288 960 HA ASN 125 HA ASN 125 -12.687 13.368 -2.702 961 1HB ASN 125 1HB ASN 125 -12.299 12.062 -5.047 962 2HB ASN 125 2HB ASN 125 -13.049 10.747 -4.164 963 1HD2 ASN 125 1HD2 ASN 125 -15.092 10.586 -4.651 964 2HD2 ASN 125 2HD2 ASN 125 -16.238 11.872 -4.832 965 H GLU 126 H GLU 126 -14.526 12.283 -1.514 966 HA GLU 126 HA GLU 126 -13.500 10.563 0.491 967 1HB GLU 126 1HB GLU 126 -15.155 12.362 0.964 968 2HB GLU 126 2HB GLU 126 -16.344 11.539 -0.027 969 1HG GLU 126 1HG GLU 126 -15.879 9.474 1.554 970 2HG GLU 126 2HG GLU 126 -15.181 10.662 2.635 971 H GLU 127 H GLU 127 -16.018 10.284 -2.110 972 HA GLU 127 HA GLU 127 -16.775 7.720 -1.584 973 1HB GLU 127 1HB GLU 127 -16.821 9.530 -3.953 974 2HB GLU 127 2HB GLU 127 -16.999 7.824 -4.317 975 1HG GLU 127 1HG GLU 127 -19.212 8.186 -3.850 976 2HG GLU 127 2HG GLU 127 -18.707 8.028 -2.179 977 H GLU 128 H GLU 128 -14.131 8.897 -3.771 978 HA GLU 128 HA GLU 128 -13.361 6.443 -4.703 979 1HB GLU 128 1HB GLU 128 -11.957 9.086 -4.309 980 2HB GLU 128 2HB GLU 128 -11.009 7.698 -4.808 981 1HG GLU 128 1HG GLU 128 -11.834 8.989 -6.770 982 2HG GLU 128 2HG GLU 128 -12.458 7.350 -6.772 983 H ALA 129 H ALA 129 -12.827 7.980 -1.560 984 HA ALA 129 HA ALA 129 -10.694 6.215 -0.816 985 1HB ALA 129 1HB ALA 129 -11.314 8.660 -0.016 986 2HB ALA 129 2HB ALA 129 -12.356 7.793 1.138 987 3HB ALA 129 3HB ALA 129 -10.601 7.494 1.123 988 H LYS 130 H LYS 130 -14.254 6.390 -0.496 989 HA LYS 130 HA LYS 130 -14.430 4.315 1.419 990 1HB LYS 130 1HB LYS 130 -16.196 5.930 1.235 991 2HB LYS 130 2HB LYS 130 -16.437 5.577 -0.464 992 1HG LYS 130 1HG LYS 130 -16.624 3.177 1.272 993 2HG LYS 130 2HG LYS 130 -17.828 4.396 1.641 994 1HD LYS 130 1HD LYS 130 -18.951 4.075 -0.335 995 2HD LYS 130 2HD LYS 130 -17.476 3.937 -1.269 996 1HE LYS 130 1HE LYS 130 -17.940 1.709 -1.400 997 2HE LYS 130 2HE LYS 130 -17.405 1.612 0.266 998 1HZ LYS 130 1HZ LYS 130 -20.080 2.514 0.064 999 2HZ LYS 130 2HZ LYS 130 -19.887 1.053 -0.640 1000 3HZ LYS 130 3HZ LYS 130 -19.470 1.267 0.925 1001 H LYS 131 H LYS 131 -14.775 4.462 -2.183 1002 HA LYS 131 HA LYS 131 -15.361 1.751 -2.497 1003 1HB LYS 131 1HB LYS 131 -14.795 2.131 -4.851 1004 2HB LYS 131 2HB LYS 131 -15.815 3.406 -4.216 1005 1HG LYS 131 1HG LYS 131 -14.189 4.677 -5.309 1006 2HG LYS 131 2HG LYS 131 -13.509 4.620 -3.695 1007 1HD LYS 131 1HD LYS 131 -11.644 3.644 -4.534 1008 2HD LYS 131 2HD LYS 131 -12.600 2.251 -5.001 1009 1HE LYS 131 1HE LYS 131 -11.776 2.876 -7.088 1010 2HE LYS 131 2HE LYS 131 -13.274 3.786 -7.080 1011 1HZ LYS 131 1HZ LYS 131 -10.564 4.741 -6.719 1012 2HZ LYS 131 2HZ LYS 131 -11.792 5.400 -7.571 1013 3HZ LYS 131 3HZ LYS 131 -11.756 5.545 -5.945 1014 H PHE 132 H PHE 132 -12.342 3.509 -1.915 1015 HA PHE 132 HA PHE 132 -10.599 1.512 -2.833 1016 1HB PHE 132 1HB PHE 132 -10.488 4.110 -1.847 1017 2HB PHE 132 2HB PHE 132 -9.910 3.226 -0.449 1018 HD1 PHE 132 1HD PHE 132 -7.657 2.713 -0.292 1019 HD2 PHE 132 2HD PHE 132 -9.306 3.522 -4.117 1020 HE1 PHE 132 1HE PHE 132 -5.362 2.613 -1.303 1021 HE2 PHE 132 2HE PHE 132 -7.011 3.422 -5.128 1022 HZ PHE 132 HZ PHE 132 -5.066 2.968 -3.709 1023 H ARG 133 H ARG 133 -11.663 2.379 0.539 1024 HA ARG 133 HA ARG 133 -10.361 0.242 1.702 1025 1HB ARG 133 1HB ARG 133 -11.522 2.408 2.720 1026 2HB ARG 133 2HB ARG 133 -12.934 1.379 2.844 1027 1HG ARG 133 1HG ARG 133 -10.892 -0.242 3.870 1028 2HG ARG 133 2HG ARG 133 -10.447 1.353 4.443 1029 1HD ARG 133 1HD ARG 133 -12.181 1.422 5.930 1030 2HD ARG 133 2HD ARG 133 -13.339 0.870 4.736 1031 HE ARG 133 HE ARG 133 -11.526 -1.241 5.673 1032 1HH1 ARG 133 2HH2 ARG 133 -14.570 0.428 6.247 1033 2HH1 ARG 133 1HH2 ARG 133 -15.264 -0.878 7.149 1034 1HH2 ARG 133 2HH1 ARG 133 -12.440 -2.964 6.864 1035 2HH2 ARG 133 1HH1 ARG 133 -14.043 -2.820 7.502 1036 H LYS 134 H LYS 134 -13.474 0.541 0.035 1037 HA LYS 134 HA LYS 134 -14.580 -1.860 1.105 1038 1HB LYS 134 1HB LYS 134 -15.589 0.346 -0.171 1039 2HB LYS 134 2HB LYS 134 -15.621 -0.837 -1.462 1040 1HG LYS 134 1HG LYS 134 -16.543 -2.219 0.851 1041 2HG LYS 134 2HG LYS 134 -17.324 -0.652 0.906 1042 1HD LYS 134 1HD LYS 134 -17.904 -1.041 -1.605 1043 2HD LYS 134 2HD LYS 134 -17.434 -2.708 -1.336 1044 1HE LYS 134 1HE LYS 134 -19.197 -1.865 0.817 1045 2HE LYS 134 2HE LYS 134 -19.946 -1.476 -0.720 1046 1HZ LYS 134 1HZ LYS 134 -18.819 -4.110 -0.065 1047 2HZ LYS 134 2HZ LYS 134 -20.404 -3.731 0.047 1048 3HZ LYS 134 3HZ LYS 134 -19.663 -3.722 -1.409 1049 H ALA 135 H ALA 135 -12.706 -0.907 -1.807 1050 HA ALA 135 HA ALA 135 -12.992 -3.352 -3.150 1051 1HB ALA 135 1HB ALA 135 -11.269 -0.921 -3.292 1052 2HB ALA 135 2HB ALA 135 -10.631 -2.391 -4.066 1053 3HB ALA 135 3HB ALA 135 -12.208 -1.735 -4.567 1054 H VAL 136 H VAL 136 -10.596 -2.108 -0.755 1055 HA VAL 136 HA VAL 136 -8.889 -4.328 -0.910 1056 HB VAL 136 HB VAL 136 -9.416 -2.258 1.224 1057 1HG1 VAL 136 1HG1 VAL 136 -8.450 -4.452 2.098 1058 2HG1 VAL 136 2HG1 VAL 136 -7.008 -4.089 1.120 1059 3HG1 VAL 136 3HG1 VAL 136 -7.502 -2.980 2.420 1060 1HG2 VAL 136 1HG2 VAL 136 -8.171 -2.065 -1.263 1061 2HG2 VAL 136 2HG2 VAL 136 -8.018 -0.923 0.094 1062 3HG2 VAL 136 3HG2 VAL 136 -6.823 -2.226 -0.113 1063 H THR 137 H THR 137 -11.470 -3.464 1.504 1064 HA THR 137 HA THR 137 -11.337 -5.787 2.984 1065 HB THR 137 HB THR 137 -13.822 -5.139 3.440 1066 HG1 THR 137 1HG THR 137 -14.523 -3.838 1.792 1067 1HG2 THR 137 1HG2 THR 137 -12.652 -3.953 5.034 1068 2HG2 THR 137 2HG2 THR 137 -11.373 -3.502 3.881 1069 3HG2 THR 137 3HG2 THR 137 -12.889 -2.571 3.938 1070 H ASP 138 H ASP 138 -13.153 -5.142 -0.060 1071 HA ASP 138 HA ASP 138 -14.541 -7.514 -0.064 1072 1HB ASP 138 1HB ASP 138 -13.885 -5.364 -1.938 1073 2HB ASP 138 2HB ASP 138 -13.885 -6.908 -2.767 1074 H LEU 139 H LEU 139 -11.266 -6.588 -1.276 1075 HA LEU 139 HA LEU 139 -10.759 -9.087 -2.520 1076 1HB LEU 139 1HB LEU 139 -9.473 -6.521 -2.193 1077 2HB LEU 139 2HB LEU 139 -8.328 -7.818 -1.914 1078 HG LEU 139 HG LEU 139 -9.116 -8.808 -4.139 1079 1HD1 LEU 139 1HD1 LEU 139 -10.873 -6.525 -3.980 1080 2HD1 LEU 139 2HD1 LEU 139 -9.859 -6.431 -5.439 1081 3HD1 LEU 139 3HD1 LEU 139 -10.860 -7.873 -5.142 1082 1HD2 LEU 139 1HD2 LEU 139 -7.870 -6.218 -4.809 1083 2HD2 LEU 139 2HD2 LEU 139 -7.069 -7.136 -3.510 1084 3HD2 LEU 139 3HD2 LEU 139 -7.313 -7.882 -5.109 1085 H LEU 140 H LEU 140 -10.020 -7.613 0.685 1086 HA LEU 140 HA LEU 140 -8.427 -9.756 1.567 1087 1HB LEU 140 1HB LEU 140 -9.736 -7.372 2.750 1088 2HB LEU 140 2HB LEU 140 -9.327 -8.671 3.854 1089 HG LEU 140 HG LEU 140 -6.972 -8.567 3.102 1090 1HD1 LEU 140 1HD1 LEU 140 -6.243 -6.579 1.772 1091 2HD1 LEU 140 2HD1 LEU 140 -7.195 -7.773 0.857 1092 3HD1 LEU 140 3HD1 LEU 140 -7.955 -6.261 1.406 1093 1HD2 LEU 140 1HD2 LEU 140 -8.313 -6.150 4.282 1094 2HD2 LEU 140 2HD2 LEU 140 -7.316 -7.395 5.071 1095 3HD2 LEU 140 3HD2 LEU 140 -6.552 -6.178 4.022 1096 H GLY 141 H GLY 141 -11.946 -9.056 1.661 1097 1HA GLY 141 1HA GLY 141 -12.643 -11.178 3.395 1098 2HA GLY 141 2HA GLY 141 -13.700 -10.314 2.297 1099 H ARG 142 H ARG 142 -12.635 -10.839 -0.226 1100 HA ARG 142 HA ARG 142 -13.603 -13.402 -0.651 1101 1HB ARG 142 1HB ARG 142 -13.349 -11.307 -2.261 1102 2HB ARG 142 2HB ARG 142 -11.776 -11.987 -2.624 1103 1HG ARG 142 1HG ARG 142 -12.689 -13.578 -3.963 1104 2HG ARG 142 2HG ARG 142 -13.787 -14.096 -2.699 1105 1HD ARG 142 1HD ARG 142 -15.173 -11.947 -3.309 1106 2HD ARG 142 2HD ARG 142 -14.218 -11.916 -4.778 1107 HE ARG 142 HE ARG 142 -16.338 -13.808 -4.129 1108 1HH1 ARG 142 2HH2 ARG 142 -13.371 -13.394 -5.977 1109 2HH1 ARG 142 1HH2 ARG 142 -13.779 -14.608 -7.143 1110 1HH2 ARG 142 2HH1 ARG 142 -16.876 -15.409 -5.669 1111 2HH2 ARG 142 1HH1 ARG 142 -15.785 -15.761 -6.967 1112 H ARG 143 H ARG 143 -10.287 -12.017 -0.408 1113 HA ARG 143 HA ARG 143 -9.265 -14.727 -0.667 1114 1HB ARG 143 1HB ARG 143 -7.861 -12.029 -1.013 1115 2HB ARG 143 2HB ARG 143 -7.036 -13.573 -1.099 1116 1HG ARG 143 1HG ARG 143 -9.453 -13.015 -2.857 1117 2HG ARG 143 2HG ARG 143 -7.863 -12.451 -3.328 1118 1HD ARG 143 1HD ARG 143 -6.987 -14.798 -3.163 1119 2HD ARG 143 2HD ARG 143 -8.585 -15.357 -2.706 1120 HE ARG 143 HE ARG 143 -7.705 -14.587 -5.392 1121 1HH1 ARG 143 2HH2 ARG 143 -10.492 -15.008 -3.285 1122 2HH1 ARG 143 1HH2 ARG 143 -11.608 -15.222 -4.592 1123 1HH2 ARG 143 2HH1 ARG 143 -9.178 -14.871 -7.116 1124 2HH2 ARG 143 1HH1 ARG 143 -10.855 -15.144 -6.786 1125 H GLN 144 H GLN 144 -9.568 -15.393 1.533 1126 HA GLN 144 HA GLN 144 -9.001 -13.802 3.708 1127 1HB GLN 144 1HB GLN 144 -9.058 -15.894 5.006 1128 2HB GLN 144 2HB GLN 144 -10.340 -15.882 3.811 1129 1HG GLN 144 1HG GLN 144 -8.557 -17.113 2.277 1130 2HG GLN 144 2HG GLN 144 -7.759 -17.470 3.796 1131 1HE2 GLN 144 1HE2 GLN 144 -10.222 -18.293 1.637 1132 2HE2 GLN 144 2HE2 GLN 144 -11.043 -19.503 2.567 Start of MODEL 17 1 1H ASP 1 H ASP 1 -10.729 17.140 9.363 2 HA ASP 1 HA ASP 1 -8.788 18.315 9.910 3 1HB ASP 1 1HB ASP 1 -7.890 18.051 12.308 4 2HB ASP 1 2HB ASP 1 -9.263 19.121 12.102 5 H LEU 2 H LEU 2 -6.641 17.221 9.999 6 HA LEU 2 HA LEU 2 -6.751 14.528 9.265 7 1HB LEU 2 1HB LEU 2 -4.518 16.399 10.020 8 2HB LEU 2 2HB LEU 2 -4.216 14.723 9.606 9 HG LEU 2 HG LEU 2 -5.866 16.219 7.654 10 1HD1 LEU 2 1HD1 LEU 2 -4.558 18.044 7.676 11 2HD1 LEU 2 2HD1 LEU 2 -3.237 17.223 8.542 12 3HD1 LEU 2 3HD1 LEU 2 -3.416 17.011 6.784 13 1HD2 LEU 2 1HD2 LEU 2 -4.422 13.835 7.724 14 2HD2 LEU 2 2HD2 LEU 2 -5.180 14.592 6.303 15 3HD2 LEU 2 3HD2 LEU 2 -3.469 14.910 6.673 16 HA PRO 3 HA PRO 3 -6.618 12.502 13.073 17 1HB PRO 3 1HB PRO 3 -5.485 10.113 12.383 18 2HB PRO 3 2HB PRO 3 -7.175 10.488 12.105 19 1HG PRO 3 1HG PRO 3 -4.955 10.381 10.155 20 2HG PRO 3 2HG PRO 3 -6.680 10.330 9.857 21 1HD PRO 3 1HD PRO 3 -4.936 12.574 9.470 22 2HD PRO 3 2HD PRO 3 -6.679 12.557 9.283 23 HA PRO 4 HA PRO 4 -2.880 12.928 15.028 24 1HB PRO 4 1HB PRO 4 -3.055 11.223 17.157 25 2HB PRO 4 2HB PRO 4 -3.810 12.804 17.131 26 1HG PRO 4 1HG PRO 4 -5.067 10.146 16.831 27 2HG PRO 4 2HG PRO 4 -5.820 11.677 17.230 28 1HD PRO 4 1HD PRO 4 -5.883 10.344 14.691 29 2HD PRO 4 2HD PRO 4 -6.535 11.927 15.059 30 HA PRO 5 HA PRO 5 -0.222 9.998 13.451 31 1HB PRO 5 1HB PRO 5 2.166 11.121 14.163 32 2HB PRO 5 2HB PRO 5 1.273 11.595 12.731 33 1HG PRO 5 1HG PRO 5 1.555 13.031 15.300 34 2HG PRO 5 2HG PRO 5 1.044 13.655 13.744 35 1HD PRO 5 1HD PRO 5 -0.640 13.035 15.982 36 2HD PRO 5 2HD PRO 5 -1.161 13.548 14.390 37 H GLU 6 H GLU 6 0.399 8.008 14.047 38 HA GLU 6 HA GLU 6 0.714 7.750 16.919 39 1HB GLU 6 1HB GLU 6 -0.402 6.071 14.770 40 2HB GLU 6 2HB GLU 6 0.674 5.172 15.822 41 1HG GLU 6 1HG GLU 6 -0.592 5.930 17.817 42 2HG GLU 6 2HG GLU 6 -1.632 6.918 16.809 43 HA PRO 7 HA PRO 7 4.966 7.021 16.365 44 1HB PRO 7 1HB PRO 7 5.594 6.079 18.852 45 2HB PRO 7 2HB PRO 7 5.441 7.785 18.485 46 1HG PRO 7 1HG PRO 7 3.565 6.030 19.947 47 2HG PRO 7 2HG PRO 7 3.648 7.780 19.935 48 1HD PRO 7 1HD PRO 7 1.754 6.142 18.537 49 2HD PRO 7 2HD PRO 7 1.909 7.884 18.434 50 H TYR 8 H TYR 8 5.873 5.553 15.083 51 HA TYR 8 HA TYR 8 5.140 2.779 15.721 52 1HB TYR 8 1HB TYR 8 5.073 4.426 13.378 53 2HB TYR 8 2HB TYR 8 6.481 3.409 13.145 54 HD1 TYR 8 1HD TYR 8 6.240 1.222 12.321 55 HD2 TYR 8 2HD TYR 8 2.833 3.234 13.949 56 HE1 TYR 8 1HE TYR 8 4.736 -0.666 11.524 57 HE2 TYR 8 2HE TYR 8 1.339 1.338 13.146 58 HH TYR 8 HH TYR 8 2.232 -1.512 12.516 59 H VAL 9 H VAL 9 6.701 1.576 16.672 60 HA VAL 9 HA VAL 9 9.446 2.515 16.468 61 HB VAL 9 HB VAL 9 8.365 1.995 18.652 62 1HG1 VAL 9 1HG1 VAL 9 6.976 0.128 18.154 63 2HG1 VAL 9 2HG1 VAL 9 8.344 -0.812 17.510 64 3HG1 VAL 9 3HG1 VAL 9 8.242 -0.469 19.255 65 1HG2 VAL 9 1HG2 VAL 9 10.953 1.478 17.776 66 2HG2 VAL 9 2HG2 VAL 9 10.410 1.582 19.468 67 3HG2 VAL 9 3HG2 VAL 9 10.502 -0.001 18.659 68 H GLN 10 H GLN 10 11.105 1.360 15.480 69 HA GLN 10 HA GLN 10 10.414 -0.237 13.361 70 1HB GLN 10 1HB GLN 10 12.788 0.877 14.477 71 2HB GLN 10 2HB GLN 10 13.112 -0.833 14.277 72 1HG GLN 10 1HG GLN 10 12.718 -0.771 11.932 73 2HG GLN 10 2HG GLN 10 11.800 0.719 12.026 74 1HE2 GLN 10 1HE2 GLN 10 14.628 -0.573 11.074 75 2HE2 GLN 10 2HE2 GLN 10 15.688 0.793 11.157 76 H THR 11 H THR 11 10.306 -2.479 13.002 77 HA THR 11 HA THR 11 11.120 -4.312 15.060 78 HB THR 11 HB THR 11 8.887 -3.432 15.882 79 HG1 THR 11 1HG THR 11 9.211 -5.567 16.496 80 1HG2 THR 11 1HG2 THR 11 7.061 -4.846 14.351 81 2HG2 THR 11 2HG2 THR 11 7.315 -3.089 14.225 82 3HG2 THR 11 3HG2 THR 11 8.139 -4.191 13.096 83 H THR 12 H THR 12 11.263 -6.464 14.330 84 HA THR 12 HA THR 12 11.962 -6.817 11.720 85 HB THR 12 HB THR 12 12.397 -8.353 13.682 86 HG1 THR 12 1HG THR 12 12.750 -9.579 11.869 87 1HG2 THR 12 1HG2 THR 12 10.639 -10.146 14.051 88 2HG2 THR 12 2HG2 THR 12 10.141 -8.549 14.660 89 3HG2 THR 12 3HG2 THR 12 9.495 -9.154 13.115 90 H LYS 13 H LYS 13 11.027 -7.287 9.782 91 HA LYS 13 HA LYS 13 8.115 -7.628 9.822 92 1HB LYS 13 1HB LYS 13 9.703 -5.462 8.580 93 2HB LYS 13 2HB LYS 13 8.515 -6.203 7.525 94 1HG LYS 13 1HG LYS 13 6.788 -5.893 9.383 95 2HG LYS 13 2HG LYS 13 7.992 -4.985 10.275 96 1HD LYS 13 1HD LYS 13 8.070 -3.804 7.732 97 2HD LYS 13 2HD LYS 13 6.368 -4.163 7.949 98 1HE LYS 13 1HE LYS 13 7.993 -2.779 10.123 99 2HE LYS 13 2HE LYS 13 7.229 -1.873 8.831 100 1HZ LYS 13 1HZ LYS 13 5.270 -3.499 9.693 101 2HZ LYS 13 2HZ LYS 13 6.040 -3.126 11.084 102 3HZ LYS 13 3HZ LYS 13 5.457 -1.936 10.130 103 H SER 14 H SER 14 7.267 -8.758 7.911 104 HA SER 14 HA SER 14 9.342 -10.168 6.449 105 1HB SER 14 1HB SER 14 7.755 -12.243 6.669 106 2HB SER 14 2HB SER 14 8.834 -11.854 7.993 107 HG SER 14 HG SER 14 6.011 -11.256 7.787 108 H TYR 15 H TYR 15 8.807 -10.571 4.263 109 HA TYR 15 HA TYR 15 6.201 -9.487 3.439 110 1HB TYR 15 1HB TYR 15 9.026 -9.693 2.266 111 2HB TYR 15 2HB TYR 15 7.665 -9.412 1.199 112 HD1 TYR 15 1HD TYR 15 7.757 -7.212 0.456 113 HD2 TYR 15 2HD TYR 15 8.490 -8.028 4.592 114 HE1 TYR 15 1HE TYR 15 7.906 -4.719 0.929 115 HE2 TYR 15 2HE TYR 15 8.637 -5.532 5.051 116 HH TYR 15 HH TYR 15 8.038 -3.507 4.185 117 HA PRO 16 HA PRO 16 5.253 -13.427 1.905 118 1HB PRO 16 1HB PRO 16 3.153 -12.803 0.271 119 2HB PRO 16 2HB PRO 16 2.993 -12.993 2.005 120 1HG PRO 16 1HG PRO 16 3.016 -10.505 0.408 121 2HG PRO 16 2HG PRO 16 2.444 -10.752 2.045 122 1HD PRO 16 1HD PRO 16 4.911 -9.519 1.258 123 2HD PRO 16 2HD PRO 16 4.391 -9.870 2.894 124 H SER 17 H SER 17 5.345 -10.907 -0.562 125 HA SER 17 HA SER 17 5.808 -12.651 -2.645 126 1HB SER 17 1HB SER 17 6.267 -10.724 -3.940 127 2HB SER 17 2HB SER 17 5.197 -10.137 -2.683 128 HG SER 17 HG SER 17 6.823 -8.661 -2.615 129 H LYS 18 H LYS 18 7.865 -11.551 -0.039 130 HA LYS 18 HA LYS 18 10.105 -12.950 -1.296 131 1HB LYS 18 1HB LYS 18 10.032 -10.206 -1.164 132 2HB LYS 18 2HB LYS 18 10.867 -10.606 0.322 133 1HG LYS 18 1HG LYS 18 12.483 -12.018 -0.948 134 2HG LYS 18 2HG LYS 18 11.634 -11.665 -2.439 135 1HD LYS 18 1HD LYS 18 12.483 -9.287 -0.825 136 2HD LYS 18 2HD LYS 18 13.778 -10.223 -1.545 137 1HE LYS 18 1HE LYS 18 11.685 -9.898 -3.522 138 2HE LYS 18 2HE LYS 18 12.039 -8.326 -2.830 139 1HZ LYS 18 1HZ LYS 18 13.929 -10.168 -4.104 140 2HZ LYS 18 2HZ LYS 18 13.535 -8.653 -4.572 141 3HZ LYS 18 3HZ LYS 18 14.423 -8.886 -3.221 142 H LEU 19 H LEU 19 8.513 -14.365 0.293 143 HA LEU 19 HA LEU 19 9.405 -14.052 3.036 144 1HB LEU 19 1HB LEU 19 7.067 -14.438 2.677 145 2HB LEU 19 2HB LEU 19 7.391 -15.858 1.701 146 HG LEU 19 HG LEU 19 8.035 -17.151 3.564 147 1HD1 LEU 19 1HD1 LEU 19 7.942 -15.761 5.897 148 2HD1 LEU 19 2HD1 LEU 19 9.431 -16.111 4.985 149 3HD1 LEU 19 3HD1 LEU 19 8.623 -14.536 4.799 150 1HD2 LEU 19 1HD2 LEU 19 6.107 -16.572 5.274 151 2HD2 LEU 19 2HD2 LEU 19 5.601 -15.465 3.974 152 3HD2 LEU 19 3HD2 LEU 19 5.750 -17.209 3.651 153 H ALA 20 H ALA 20 10.203 -15.776 0.114 154 HA ALA 20 HA ALA 20 11.815 -17.224 -0.340 155 1HB ALA 20 1HB ALA 20 13.732 -17.263 0.984 156 2HB ALA 20 2HB ALA 20 12.975 -15.739 1.504 157 3HB ALA 20 3HB ALA 20 12.809 -17.201 2.506 158 H ARG 21 H ARG 21 9.133 -17.799 1.268 159 HA ARG 21 HA ARG 21 8.013 -19.635 1.604 160 1HB ARG 21 1HB ARG 21 9.949 -20.654 -0.004 161 2HB ARG 21 2HB ARG 21 10.369 -21.514 1.465 162 1HG ARG 21 1HG ARG 21 7.454 -21.498 0.850 163 2HG ARG 21 2HG ARG 21 8.435 -22.325 -0.344 164 1HD ARG 21 1HD ARG 21 9.070 -22.937 2.523 165 2HD ARG 21 2HD ARG 21 7.526 -23.524 1.938 166 HE ARG 21 HE ARG 21 10.169 -24.483 1.140 167 1HH1 ARG 21 2HH2 ARG 21 6.806 -24.201 0.142 168 2HH1 ARG 21 1HH2 ARG 21 6.891 -25.532 -0.965 169 1HH2 ARG 21 2HH1 ARG 21 10.280 -26.238 -0.319 170 2HH2 ARG 21 1HH1 ARG 21 8.880 -26.698 -1.228 171 H ASN 22 H ASN 22 11.378 -20.044 2.944 172 HA ASN 22 HA ASN 22 10.470 -19.711 5.567 173 1HB ASN 22 1HB ASN 22 10.018 -22.301 4.647 174 2HB ASN 22 2HB ASN 22 11.610 -22.463 5.361 175 1HD2 ASN 22 1HD2 ASN 22 11.617 -23.060 7.376 176 2HD2 ASN 22 2HD2 ASN 22 10.436 -22.701 8.590 177 H GLU 23 H GLU 23 12.343 -19.523 7.009 178 HA GLU 23 HA GLU 23 14.649 -18.698 5.852 179 1HB GLU 23 1HB GLU 23 13.641 -19.066 8.491 180 2HB GLU 23 2HB GLU 23 15.213 -19.840 8.468 181 1HG GLU 23 1HG GLU 23 16.272 -17.789 7.616 182 2HG GLU 23 2HG GLU 23 14.713 -17.011 7.433 183 H SER 24 H SER 24 16.883 -19.638 5.909 184 HA SER 24 HA SER 24 18.334 -21.177 5.426 185 1HB SER 24 1HB SER 24 16.486 -23.240 6.698 186 2HB SER 24 2HB SER 24 18.218 -23.380 6.473 187 HG SER 24 HG SER 24 16.988 -22.438 8.618 188 H ARG 25 H ARG 25 18.797 -22.167 3.466 189 HA ARG 25 HA ARG 25 16.575 -23.519 2.175 190 1HB ARG 25 1HB ARG 25 17.650 -21.019 1.367 191 2HB ARG 25 2HB ARG 25 18.347 -22.177 0.251 192 1HG ARG 25 1HG ARG 25 16.353 -21.767 -0.860 193 2HG ARG 25 2HG ARG 25 15.832 -23.102 0.149 194 1HD ARG 25 1HD ARG 25 14.171 -21.665 0.809 195 2HD ARG 25 2HD ARG 25 15.397 -21.001 1.871 196 HE ARG 25 HE ARG 25 15.387 -19.061 0.578 197 1HH1 ARG 25 2HH2 ARG 25 14.182 -21.720 -1.387 198 2HH1 ARG 25 1HH2 ARG 25 13.808 -20.714 -2.747 199 1HH2 ARG 25 2HH1 ARG 25 14.894 -17.734 -1.215 200 2HH2 ARG 25 1HH1 ARG 25 14.216 -18.432 -2.649 201 H GLY 26 H GLY 26 20.116 -22.711 1.843 202 1HA GLY 26 1HA GLY 26 21.472 -24.843 2.285 203 2HA GLY 26 2HA GLY 26 20.590 -25.464 0.904 204 H SER 27 H SER 27 21.935 -25.495 -0.848 205 HA SER 27 HA SER 27 22.983 -23.012 -1.741 206 1HB SER 27 1HB SER 27 24.688 -24.176 -0.040 207 2HB SER 27 2HB SER 27 25.083 -25.156 -1.438 208 HG SER 27 HG SER 27 25.405 -22.330 -1.063 209 H GLY 28 H GLY 28 24.223 -23.412 -3.932 210 1HA GLY 28 1HA GLY 28 24.520 -24.623 -5.867 211 2HA GLY 28 2HA GLY 28 23.543 -25.929 -5.225 212 H SER 29 H SER 29 23.616 -23.350 -7.430 213 HA SER 29 HA SER 29 20.725 -23.529 -7.677 214 1HB SER 29 1HB SER 29 22.141 -21.205 -6.886 215 2HB SER 29 2HB SER 29 21.743 -20.936 -8.571 216 HG SER 29 HG SER 29 19.514 -21.937 -7.548 217 H GLY 30 H GLY 30 19.941 -23.339 -9.897 218 1HA GLY 30 1HA GLY 30 22.077 -23.478 -11.937 219 2HA GLY 30 2HA GLY 30 20.756 -24.628 -11.891 220 H SER 31 H SER 31 18.499 -23.145 -11.351 221 HA SER 31 HA SER 31 16.976 -21.929 -12.307 222 1HB SER 31 1HB SER 31 18.124 -19.986 -11.497 223 2HB SER 31 2HB SER 31 19.363 -20.098 -12.729 224 HG SER 31 HG SER 31 17.855 -18.437 -13.266 225 H LEU 32 H LEU 32 16.030 -22.851 -14.094 226 HA LEU 32 HA LEU 32 17.622 -22.958 -16.547 227 1HB LEU 32 1HB LEU 32 15.842 -24.768 -15.215 228 2HB LEU 32 2HB LEU 32 15.186 -24.385 -16.793 229 HG LEU 32 HG LEU 32 17.379 -25.027 -17.813 230 1HD1 LEU 32 1HD1 LEU 32 18.518 -24.695 -15.445 231 2HD1 LEU 32 2HD1 LEU 32 18.154 -26.430 -15.293 232 3HD1 LEU 32 3HD1 LEU 32 19.159 -25.846 -16.641 233 1HD2 LEU 32 1HD2 LEU 32 16.798 -27.235 -17.985 234 2HD2 LEU 32 2HD2 LEU 32 16.434 -27.396 -16.250 235 3HD2 LEU 32 3HD2 LEU 32 15.290 -26.559 -17.326 236 H PHE 33 H PHE 33 16.150 -22.752 -18.618 237 HA PHE 33 HA PHE 33 15.069 -21.338 -19.925 238 1HB PHE 33 1HB PHE 33 13.374 -22.119 -17.708 239 2HB PHE 33 2HB PHE 33 13.033 -20.429 -18.019 240 HD1 PHE 33 1HD PHE 33 13.625 -23.489 -20.092 241 HD2 PHE 33 2HD PHE 33 11.224 -20.064 -19.381 242 HE1 PHE 33 1HE PHE 33 12.129 -24.142 -21.999 243 HE2 PHE 33 2HE PHE 33 9.727 -20.717 -21.287 244 HZ PHE 33 HZ PHE 33 10.198 -22.748 -22.574 245 H SER 34 H SER 34 14.110 -18.995 -20.139 246 HA SER 34 HA SER 34 15.222 -17.227 -18.156 247 1HB SER 34 1HB SER 34 16.942 -17.744 -20.065 248 2HB SER 34 2HB SER 34 15.908 -16.750 -21.074 249 HG SER 34 HG SER 34 17.830 -15.837 -19.589 250 H PHE 35 H PHE 35 13.564 -15.834 -17.687 251 HA PHE 35 HA PHE 35 12.300 -14.317 -19.664 252 1HB PHE 35 1HB PHE 35 11.301 -16.952 -19.377 253 2HB PHE 35 2HB PHE 35 10.227 -16.019 -18.353 254 HD1 PHE 35 1HD PHE 35 10.540 -17.307 -21.513 255 HD2 PHE 35 2HD PHE 35 9.514 -13.670 -19.582 256 HE1 PHE 35 1HE PHE 35 9.223 -16.606 -23.532 257 HE2 PHE 35 2HE PHE 35 8.198 -12.969 -21.601 258 HZ PHE 35 HZ PHE 35 8.067 -14.446 -23.552 259 H LEU 36 H LEU 36 12.453 -12.488 -18.414 260 HA LEU 36 HA LEU 36 11.196 -12.651 -15.764 261 1HB LEU 36 1HB LEU 36 13.757 -11.434 -16.664 262 2HB LEU 36 2HB LEU 36 12.829 -10.566 -15.458 263 HG LEU 36 HG LEU 36 13.231 -13.455 -14.920 264 1HD1 LEU 36 1HD1 LEU 36 15.415 -13.392 -15.467 265 2HD1 LEU 36 2HD1 LEU 36 15.496 -11.614 -15.408 266 3HD1 LEU 36 3HD1 LEU 36 15.570 -12.560 -13.902 267 1HD2 LEU 36 1HD2 LEU 36 13.138 -12.829 -12.716 268 2HD2 LEU 36 2HD2 LEU 36 13.854 -11.227 -13.020 269 3HD2 LEU 36 3HD2 LEU 36 12.159 -11.544 -13.464 270 H GLY 37 H GLY 37 9.150 -11.902 -16.176 271 1HA GLY 37 1HA GLY 37 8.887 -9.120 -16.851 272 2HA GLY 37 2HA GLY 37 8.309 -10.186 -18.115 273 H LYS 38 H LYS 38 8.018 -9.483 -14.580 274 HA LYS 38 HA LYS 38 5.596 -11.012 -14.391 275 1HB LYS 38 1HB LYS 38 7.417 -9.565 -12.552 276 2HB LYS 38 2HB LYS 38 5.732 -9.594 -12.075 277 1HG LYS 38 1HG LYS 38 5.675 -11.931 -11.872 278 2HG LYS 38 2HG LYS 38 6.958 -12.175 -13.038 279 1HD LYS 38 1HD LYS 38 8.368 -12.436 -11.277 280 2HD LYS 38 2HD LYS 38 8.223 -10.711 -11.009 281 1HE LYS 38 1HE LYS 38 6.986 -11.006 -9.117 282 2HE LYS 38 2HE LYS 38 5.910 -12.144 -9.903 283 1HZ LYS 38 1HZ LYS 38 6.926 -13.581 -8.564 284 2HZ LYS 38 2HZ LYS 38 8.124 -13.583 -9.674 285 3HZ LYS 38 3HZ LYS 38 8.251 -12.654 -8.337 286 H LYS 39 H LYS 39 3.497 -10.278 -14.469 287 HA LYS 39 HA LYS 39 3.176 -7.382 -14.823 288 1HB LYS 39 1HB LYS 39 2.411 -9.601 -16.631 289 2HB LYS 39 2HB LYS 39 1.167 -8.398 -16.356 290 1HG LYS 39 1HG LYS 39 2.228 -6.940 -17.728 291 2HG LYS 39 2HG LYS 39 3.664 -7.001 -16.726 292 1HD LYS 39 1HD LYS 39 4.557 -7.822 -18.706 293 2HD LYS 39 2HD LYS 39 4.057 -9.334 -17.976 294 1HE LYS 39 1HE LYS 39 2.046 -7.846 -19.668 295 2HE LYS 39 2HE LYS 39 3.348 -8.687 -20.487 296 1HZ LYS 39 1HZ LYS 39 2.570 -10.531 -18.769 297 2HZ LYS 39 2HZ LYS 39 1.145 -9.768 -18.997 298 3HZ LYS 39 3HZ LYS 39 1.949 -10.395 -20.273 299 H CYS 40 H CYS 40 1.701 -6.469 -13.479 300 HA CYS 40 HA CYS 40 -0.010 -8.348 -12.021 301 1HB CYS 40 1HB CYS 40 0.960 -5.634 -11.069 302 2HB CYS 40 2HB CYS 40 0.022 -6.795 -10.150 303 HG CYS 40 HG CYS 40 3.145 -6.590 -10.854 304 H VAL 41 H VAL 41 -2.248 -7.929 -12.019 305 HA VAL 41 HA VAL 41 -3.134 -6.003 -13.972 306 HB VAL 41 HB VAL 41 -5.308 -7.026 -13.621 307 1HG1 VAL 41 1HG1 VAL 41 -4.227 -9.574 -13.828 308 2HG1 VAL 41 2HG1 VAL 41 -4.472 -8.422 -15.164 309 3HG1 VAL 41 3HG1 VAL 41 -2.893 -8.515 -14.345 310 1HG2 VAL 41 1HG2 VAL 41 -3.960 -8.205 -11.220 311 2HG2 VAL 41 2HG2 VAL 41 -5.607 -7.555 -11.405 312 3HG2 VAL 41 3HG2 VAL 41 -5.207 -9.163 -12.053 313 H THR 42 H THR 42 -4.714 -4.321 -13.522 314 HA THR 42 HA THR 42 -4.249 -3.150 -10.894 315 HB THR 42 HB THR 42 -5.540 -2.081 -13.461 316 HG1 THR 42 1HG THR 42 -2.936 -1.930 -12.118 317 1HG2 THR 42 1HG2 THR 42 -4.701 0.127 -12.261 318 2HG2 THR 42 2HG2 THR 42 -6.267 -0.567 -11.780 319 3HG2 THR 42 3HG2 THR 42 -4.825 -0.848 -10.776 320 H MET 43 H MET 43 -6.198 -1.928 -9.919 321 HA MET 43 HA MET 43 -8.567 -3.591 -10.230 322 1HB MET 43 1HB MET 43 -6.784 -3.454 -7.954 323 2HB MET 43 2HB MET 43 -8.280 -2.673 -7.481 324 1HG MET 43 1HG MET 43 -8.237 -5.406 -8.835 325 2HG MET 43 2HG MET 43 -8.141 -5.225 -7.095 326 1HE MET 43 1HE MET 43 -11.420 -3.721 -6.016 327 2HE MET 43 2HE MET 43 -9.673 -3.905 -5.723 328 3HE MET 43 3HE MET 43 -10.275 -2.535 -6.689 329 H SER 44 H SER 44 -7.321 -0.671 -8.441 330 HA SER 44 HA SER 44 -9.464 0.832 -9.664 331 1HB SER 44 1HB SER 44 -10.225 -0.051 -7.382 332 2HB SER 44 2HB SER 44 -8.975 0.942 -6.659 333 HG SER 44 HG SER 44 -10.615 2.312 -8.489 334 H SER 45 H SER 45 -9.100 3.245 -9.408 335 HA SER 45 HA SER 45 -6.357 3.848 -8.678 336 1HB SER 45 1HB SER 45 -6.131 5.283 -10.714 337 2HB SER 45 2HB SER 45 -6.300 3.582 -11.101 338 HG SER 45 HG SER 45 -7.762 4.488 -12.463 339 H ALA 46 H ALA 46 -6.333 5.560 -7.265 340 HA ALA 46 HA ALA 46 -8.293 7.676 -7.623 341 1HB ALA 46 1HB ALA 46 -7.965 6.572 -4.848 342 2HB ALA 46 2HB ALA 46 -9.344 7.432 -5.575 343 3HB ALA 46 3HB ALA 46 -9.049 5.722 -5.975 344 H VAL 47 H VAL 47 -7.243 9.595 -7.473 345 HA VAL 47 HA VAL 47 -4.515 9.692 -6.874 346 HB VAL 47 HB VAL 47 -6.643 11.826 -7.090 347 1HG1 VAL 47 1HG1 VAL 47 -4.468 12.388 -5.758 348 2HG1 VAL 47 2HG1 VAL 47 -3.694 12.375 -7.361 349 3HG1 VAL 47 3HG1 VAL 47 -5.031 13.502 -7.028 350 1HG2 VAL 47 1HG2 VAL 47 -6.501 10.919 -9.207 351 2HG2 VAL 47 2HG2 VAL 47 -5.244 12.175 -9.297 352 3HG2 VAL 47 3HG2 VAL 47 -4.787 10.476 -9.025 353 H VAL 48 H VAL 48 -3.470 9.657 -4.957 354 HA VAL 48 HA VAL 48 -4.911 10.722 -2.637 355 HB VAL 48 HB VAL 48 -4.557 8.869 -1.354 356 1HG1 VAL 48 1HG1 VAL 48 -5.649 7.170 -2.417 357 2HG1 VAL 48 2HG1 VAL 48 -5.876 8.435 -3.649 358 3HG1 VAL 48 3HG1 VAL 48 -4.585 7.225 -3.843 359 1HG2 VAL 48 1HG2 VAL 48 -2.128 8.527 -3.015 360 2HG2 VAL 48 2HG2 VAL 48 -2.374 8.286 -1.268 361 3HG2 VAL 48 3HG2 VAL 48 -2.870 7.022 -2.420 362 H GLN 49 H GLN 49 -3.324 11.171 -0.781 363 HA GLN 49 HA GLN 49 -0.770 11.964 -1.947 364 1HB GLN 49 1HB GLN 49 -2.295 13.481 0.214 365 2HB GLN 49 2HB GLN 49 -0.813 13.989 -0.573 366 1HG GLN 49 1HG GLN 49 -2.242 13.736 -2.804 367 2HG GLN 49 2HG GLN 49 -3.613 13.855 -1.719 368 1HE2 GLN 49 1HE2 GLN 49 -3.896 15.713 -0.434 369 2HE2 GLN 49 2HE2 GLN 49 -3.205 17.241 -0.863 370 H LEU 50 H LEU 50 0.878 10.813 -1.048 371 HA LEU 50 HA LEU 50 0.445 9.461 1.448 372 1HB LEU 50 1HB LEU 50 1.581 8.119 0.005 373 2HB LEU 50 2HB LEU 50 2.466 9.442 -0.729 374 HG LEU 50 HG LEU 50 3.158 8.918 2.097 375 1HD1 LEU 50 1HD1 LEU 50 4.423 6.972 0.261 376 2HD1 LEU 50 2HD1 LEU 50 3.963 6.817 1.974 377 3HD1 LEU 50 3HD1 LEU 50 2.731 6.641 0.702 378 1HD2 LEU 50 1HD2 LEU 50 4.290 10.171 -0.181 379 2HD2 LEU 50 2HD2 LEU 50 4.941 10.075 1.473 380 3HD2 LEU 50 3HD2 LEU 50 5.365 8.827 0.275 381 H TYR 51 H TYR 51 0.959 10.195 3.442 382 HA TYR 51 HA TYR 51 2.807 12.485 3.556 383 1HB TYR 51 1HB TYR 51 0.120 11.773 4.788 384 2HB TYR 51 2HB TYR 51 1.232 12.664 5.807 385 HD1 TYR 51 1HD TYR 51 -0.755 12.794 2.690 386 HD2 TYR 51 2HD TYR 51 1.701 14.999 5.412 387 HE1 TYR 51 1HE TYR 51 -1.493 14.971 1.603 388 HE2 TYR 51 2HE TYR 51 0.955 17.169 4.316 389 HH TYR 51 HH TYR 51 -1.596 17.195 1.924 390 H ALA 52 H ALA 52 3.950 12.707 5.687 391 HA ALA 52 HA ALA 52 4.386 10.051 6.876 392 1HB ALA 52 1HB ALA 52 6.314 12.233 6.045 393 2HB ALA 52 2HB ALA 52 6.753 11.035 7.286 394 3HB ALA 52 3HB ALA 52 6.344 10.501 5.638 395 H ALA 53 H ALA 53 3.928 9.934 9.018 396 HA ALA 53 HA ALA 53 3.036 12.259 10.377 397 1HB ALA 53 1HB ALA 53 3.371 9.331 10.958 398 2HB ALA 53 2HB ALA 53 3.169 10.447 12.330 399 3HB ALA 53 3HB ALA 53 1.918 10.356 11.066 400 H ASP 54 H ASP 54 4.762 13.770 10.425 401 HA ASP 54 HA ASP 54 7.322 13.419 10.880 402 1HB ASP 54 1HB ASP 54 5.436 15.534 11.263 403 2HB ASP 54 2HB ASP 54 6.426 15.506 12.710 404 H ARG 55 H ARG 55 8.713 13.580 12.916 405 HA ARG 55 HA ARG 55 8.129 11.630 14.692 406 1HB ARG 55 1HB ARG 55 10.348 12.951 14.243 407 2HB ARG 55 2HB ARG 55 9.780 14.073 15.463 408 1HG ARG 55 1HG ARG 55 9.411 11.470 16.574 409 2HG ARG 55 2HG ARG 55 10.991 11.443 15.815 410 1HD ARG 55 1HD ARG 55 10.074 13.630 17.743 411 2HD ARG 55 2HD ARG 55 11.009 12.231 18.232 412 HE ARG 55 HE ARG 55 12.460 13.317 16.108 413 1HH1 ARG 55 2HH2 ARG 55 11.296 14.506 19.209 414 2HH1 ARG 55 1HH2 ARG 55 12.589 15.642 19.403 415 1HH2 ARG 55 2HH1 ARG 55 14.167 14.815 16.364 416 2HH2 ARG 55 1HH1 ARG 55 14.233 15.819 17.774 417 H ASN 56 H ASN 56 7.834 15.227 15.193 418 HA ASN 56 HA ASN 56 6.806 15.080 17.733 419 1HB ASN 56 1HB ASN 56 7.271 17.090 15.737 420 2HB ASN 56 2HB ASN 56 5.605 17.289 16.242 421 1HD2 ASN 56 1HD2 ASN 56 8.419 18.566 16.732 422 2HD2 ASN 56 2HD2 ASN 56 8.421 18.921 18.427 423 H CYS 57 H CYS 57 4.924 16.074 14.771 424 HA CYS 57 HA CYS 57 3.050 14.185 14.644 425 1HB CYS 57 1HB CYS 57 1.115 15.265 15.999 426 2HB CYS 57 2HB CYS 57 2.259 14.225 16.825 427 HG CYS 57 HG CYS 57 3.259 17.267 16.506 428 H MET 58 H MET 58 3.882 15.444 12.621 429 HA MET 58 HA MET 58 1.805 17.314 11.938 430 1HB MET 58 1HB MET 58 4.749 17.969 12.187 431 2HB MET 58 2HB MET 58 3.892 18.677 10.833 432 1HG MET 58 1HG MET 58 2.287 18.955 13.254 433 2HG MET 58 2HG MET 58 3.899 19.581 13.542 434 1HE MET 58 1HE MET 58 1.033 20.962 10.211 435 2HE MET 58 2HE MET 58 1.965 19.456 10.033 436 3HE MET 58 3HE MET 58 0.771 19.614 11.343 437 H TRP 59 H TRP 59 1.050 15.693 10.478 438 HA TRP 59 HA TRP 59 2.410 14.085 8.833 439 1HB TRP 59 1HB TRP 59 -0.013 15.672 7.975 440 2HB TRP 59 2HB TRP 59 0.519 14.129 7.338 441 HD1 TRP 59 HD TRP 59 -1.371 15.619 10.308 442 HE1 TRP 59 1HE TRP 59 -2.495 13.746 11.789 443 HE3 TRP 59 3HE TRP 59 0.919 11.699 8.019 444 HZ2 TRP 59 2HZ TRP 59 -2.304 10.899 11.837 445 HZ3 TRP 59 3HZ TRP 59 0.396 9.405 8.844 446 HH2 TRP 59 HH TRP 59 -1.154 8.973 10.684 447 H SER 60 H SER 60 3.707 14.253 7.006 448 HA SER 60 HA SER 60 3.907 16.913 5.843 449 1HB SER 60 1HB SER 60 6.352 16.706 5.718 450 2HB SER 60 2HB SER 60 5.823 16.580 7.384 451 HG SER 60 HG SER 60 7.453 14.939 6.481 452 H LYS 61 H LYS 61 3.311 16.727 3.716 453 HA LYS 61 HA LYS 61 2.997 14.304 2.419 454 1HB LYS 61 1HB LYS 61 1.797 16.271 1.732 455 2HB LYS 61 2HB LYS 61 3.280 17.129 1.367 456 1HG LYS 61 1HG LYS 61 2.910 14.499 -0.024 457 2HG LYS 61 2HG LYS 61 1.822 15.784 -0.510 458 1HD LYS 61 1HD LYS 61 4.819 16.266 -0.322 459 2HD LYS 61 2HD LYS 61 4.113 15.553 -1.759 460 1HE LYS 61 1HE LYS 61 2.448 17.769 -1.194 461 2HE LYS 61 2HE LYS 61 4.067 18.351 -0.861 462 1HZ LYS 61 1HZ LYS 61 4.680 18.071 -3.003 463 2HZ LYS 61 2HZ LYS 61 3.672 16.818 -3.287 464 3HZ LYS 61 3HZ LYS 61 3.089 18.343 -3.256 465 H LYS 62 H LYS 62 4.313 12.965 1.249 466 HA LYS 62 HA LYS 62 7.092 13.873 0.974 467 1HB LYS 62 1HB LYS 62 6.082 11.660 2.350 468 2HB LYS 62 2HB LYS 62 6.688 10.987 0.850 469 1HG LYS 62 1HG LYS 62 8.889 12.005 1.202 470 2HG LYS 62 2HG LYS 62 8.305 12.909 2.586 471 1HD LYS 62 1HD LYS 62 7.644 10.418 3.432 472 2HD LYS 62 2HD LYS 62 8.963 9.982 2.364 473 1HE LYS 62 1HE LYS 62 9.713 12.299 3.980 474 2HE LYS 62 2HE LYS 62 9.158 11.000 5.017 475 1HZ LYS 62 1HZ LYS 62 10.849 9.679 4.378 476 2HZ LYS 62 2HZ LYS 62 10.958 10.291 2.867 477 3HZ LYS 62 3HZ LYS 62 11.594 11.111 4.129 478 H CYS 63 H CYS 63 4.329 12.135 -0.540 479 HA CYS 63 HA CYS 63 5.204 13.041 -3.096 480 1HB CYS 63 1HB CYS 63 5.643 10.189 -2.302 481 2HB CYS 63 2HB CYS 63 5.053 10.506 -3.922 482 HG CYS 63 HG CYS 63 6.898 12.503 -4.302 483 H SER 64 H SER 64 3.396 13.129 -4.501 484 HA SER 64 HA SER 64 1.055 11.642 -3.718 485 1HB SER 64 1HB SER 64 0.505 14.510 -4.330 486 2HB SER 64 2HB SER 64 -0.310 13.430 -3.217 487 HG SER 64 HG SER 64 0.745 14.695 -1.796 488 H GLY 65 H GLY 65 -0.579 11.564 -5.481 489 1HA GLY 65 1HA GLY 65 -0.520 12.833 -7.887 490 2HA GLY 65 2HA GLY 65 0.679 11.568 -8.065 491 H VAL 66 H VAL 66 -0.399 10.165 -9.463 492 HA VAL 66 HA VAL 66 -3.116 9.398 -8.792 493 HB VAL 66 HB VAL 66 -2.681 9.923 -11.076 494 1HG1 VAL 66 1HG1 VAL 66 -0.348 8.024 -10.795 495 2HG1 VAL 66 2HG1 VAL 66 -1.041 8.422 -12.385 496 3HG1 VAL 66 3HG1 VAL 66 -0.360 9.711 -11.363 497 1HG2 VAL 66 1HG2 VAL 66 -4.112 8.304 -11.615 498 2HG2 VAL 66 2HG2 VAL 66 -2.750 7.171 -11.784 499 3HG2 VAL 66 3HG2 VAL 66 -3.582 7.335 -10.219 500 H ALA 67 H ALA 67 -3.584 7.649 -7.567 501 HA ALA 67 HA ALA 67 -1.472 5.617 -7.325 502 1HB ALA 67 1HB ALA 67 -2.365 7.259 -5.329 503 2HB ALA 67 2HB ALA 67 -3.477 5.880 -5.152 504 3HB ALA 67 3HB ALA 67 -1.718 5.622 -5.061 505 H CYS 68 H CYS 68 -2.157 3.405 -7.269 506 HA CYS 68 HA CYS 68 -4.962 2.880 -7.633 507 1HB CYS 68 1HB CYS 68 -5.018 2.434 -9.827 508 2HB CYS 68 2HB CYS 68 -3.514 3.326 -9.941 509 HG CYS 68 HG CYS 68 -3.893 0.099 -9.283 510 H LEU 69 H LEU 69 -5.425 0.599 -7.228 511 HA LEU 69 HA LEU 69 -3.240 -0.692 -5.800 512 1HB LEU 69 1HB LEU 69 -5.528 -0.241 -4.797 513 2HB LEU 69 2HB LEU 69 -6.148 -1.480 -5.872 514 HG LEU 69 HG LEU 69 -3.816 -2.306 -4.253 515 1HD1 LEU 69 1HD1 LEU 69 -5.396 -0.745 -2.817 516 2HD1 LEU 69 2HD1 LEU 69 -6.398 -2.215 -2.750 517 3HD1 LEU 69 3HD1 LEU 69 -4.720 -2.254 -2.155 518 1HD2 LEU 69 1HD2 LEU 69 -5.406 -4.278 -3.877 519 2HD2 LEU 69 2HD2 LEU 69 -6.464 -3.493 -5.075 520 3HD2 LEU 69 3HD2 LEU 69 -4.817 -3.993 -5.533 521 H VAL 70 H VAL 70 -1.952 -1.982 -7.004 522 HA VAL 70 HA VAL 70 -3.188 -3.394 -9.245 523 HB VAL 70 HB VAL 70 -0.318 -2.793 -8.514 524 1HG1 VAL 70 1HG1 VAL 70 -0.211 -4.898 -9.579 525 2HG1 VAL 70 2HG1 VAL 70 -1.482 -4.469 -10.748 526 3HG1 VAL 70 3HG1 VAL 70 0.125 -3.714 -10.865 527 1HG2 VAL 70 1HG2 VAL 70 -0.725 -1.711 -10.973 528 2HG2 VAL 70 2HG2 VAL 70 -2.346 -1.521 -10.261 529 3HG2 VAL 70 3HG2 VAL 70 -0.927 -0.822 -9.444 530 H LYS 71 H LYS 71 -3.421 -5.600 -9.264 531 HA LYS 71 HA LYS 71 -2.464 -6.971 -6.854 532 1HB LYS 71 1HB LYS 71 -4.306 -8.515 -7.157 533 2HB LYS 71 2HB LYS 71 -4.908 -6.870 -7.096 534 1HG LYS 71 1HG LYS 71 -4.604 -7.023 -9.764 535 2HG LYS 71 2HG LYS 71 -4.733 -8.743 -9.457 536 1HD LYS 71 1HD LYS 71 -6.759 -6.920 -8.160 537 2HD LYS 71 2HD LYS 71 -6.909 -7.221 -9.881 538 1HE LYS 71 1HE LYS 71 -6.389 -9.745 -8.552 539 2HE LYS 71 2HE LYS 71 -7.696 -8.935 -7.710 540 1HZ LYS 71 1HZ LYS 71 -8.324 -10.322 -9.665 541 2HZ LYS 71 2HZ LYS 71 -8.924 -8.804 -9.674 542 3HZ LYS 71 3HZ LYS 71 -7.656 -9.187 -10.630 543 H ASP 72 H ASP 72 -1.180 -8.798 -7.029 544 HA ASP 72 HA ASP 72 0.247 -9.038 -9.418 545 1HB ASP 72 1HB ASP 72 0.770 -9.680 -6.855 546 2HB ASP 72 2HB ASP 72 0.198 -11.254 -7.369 547 H ASN 73 H ASN 73 0.521 -11.325 -10.517 548 HA ASN 73 HA ASN 73 -1.868 -12.066 -11.615 549 1HB ASN 73 1HB ASN 73 0.867 -12.742 -11.922 550 2HB ASN 73 2HB ASN 73 0.093 -14.272 -11.564 551 1HD2 ASN 73 1HD2 ASN 73 1.083 -12.415 -13.988 552 2HD2 ASN 73 2HD2 ASN 73 -0.042 -12.808 -15.245 553 HA PRO 74 HA PRO 74 -1.719 -15.712 -8.528 554 1HB PRO 74 1HB PRO 74 0.132 -15.716 -6.517 555 2HB PRO 74 2HB PRO 74 0.364 -16.560 -8.035 556 1HG PRO 74 1HG PRO 74 1.592 -14.035 -7.113 557 2HG PRO 74 2HG PRO 74 2.110 -15.101 -8.404 558 1HD PRO 74 1HD PRO 74 0.744 -12.595 -8.692 559 2HD PRO 74 2HD PRO 74 1.160 -13.716 -9.974 560 H GLN 75 H GLN 75 -1.791 -12.508 -7.902 561 HA GLN 75 HA GLN 75 -2.689 -11.258 -6.344 562 1HB GLN 75 1HB GLN 75 -4.786 -13.415 -5.963 563 2HB GLN 75 2HB GLN 75 -5.002 -11.676 -5.957 564 1HG GLN 75 1HG GLN 75 -5.456 -11.722 -8.175 565 2HG GLN 75 2HG GLN 75 -3.848 -12.337 -8.494 566 1HE2 GLN 75 1HE2 GLN 75 -6.564 -12.892 -9.630 567 2HE2 GLN 75 2HE2 GLN 75 -6.755 -14.613 -9.594 568 H ARG 76 H ARG 76 -0.691 -13.284 -5.376 569 HA ARG 76 HA ARG 76 -1.637 -14.266 -2.928 570 1HB ARG 76 1HB ARG 76 0.502 -14.869 -4.466 571 2HB ARG 76 2HB ARG 76 1.305 -13.748 -3.385 572 1HG ARG 76 1HG ARG 76 0.785 -15.069 -1.443 573 2HG ARG 76 2HG ARG 76 -0.415 -16.012 -2.304 574 1HD ARG 76 1HD ARG 76 1.545 -16.800 -3.833 575 2HD ARG 76 2HD ARG 76 2.612 -16.121 -2.621 576 HE ARG 76 HE ARG 76 0.685 -17.799 -1.316 577 1HH1 ARG 76 2HH2 ARG 76 3.495 -18.023 -3.423 578 2HH1 ARG 76 1HH2 ARG 76 3.940 -19.604 -2.873 579 1HH2 ARG 76 2HH1 ARG 76 1.271 -19.884 -0.591 580 2HH2 ARG 76 1HH1 ARG 76 2.666 -20.670 -1.251 581 H SER 77 H SER 77 -0.574 -11.153 -4.042 582 HA SER 77 HA SER 77 -0.979 -10.045 -1.492 583 1HB SER 77 1HB SER 77 1.326 -9.017 -1.278 584 2HB SER 77 2HB SER 77 1.272 -10.745 -0.992 585 HG SER 77 HG SER 77 1.834 -10.895 -3.406 586 H TYR 78 H TYR 78 -1.254 -7.730 -1.637 587 HA TYR 78 HA TYR 78 -1.436 -6.807 -4.403 588 1HB TYR 78 1HB TYR 78 -2.408 -5.687 -1.700 589 2HB TYR 78 2HB TYR 78 -2.895 -5.074 -3.267 590 HD1 TYR 78 1HD TYR 78 -4.158 -6.764 -0.636 591 HD2 TYR 78 2HD TYR 78 -3.658 -7.321 -4.848 592 HE1 TYR 78 1HE TYR 78 -6.121 -8.379 -0.663 593 HE2 TYR 78 2HE TYR 78 -5.622 -8.935 -4.861 594 HH TYR 78 HH TYR 78 -7.122 -9.971 -1.863 595 H PHE 79 H PHE 79 -0.609 -4.731 -5.050 596 HA PHE 79 HA PHE 79 1.484 -3.738 -3.245 597 1HB PHE 79 1HB PHE 79 1.345 -3.894 -6.317 598 2HB PHE 79 2HB PHE 79 2.690 -3.208 -5.425 599 HD1 PHE 79 1HD PHE 79 1.271 -6.190 -6.785 600 HD2 PHE 79 2HD PHE 79 4.000 -4.754 -3.870 601 HE1 PHE 79 1HE PHE 79 2.360 -8.449 -6.691 602 HE2 PHE 79 2HE PHE 79 5.089 -7.014 -3.776 603 HZ PHE 79 HZ PHE 79 4.257 -8.834 -5.188 604 H LEU 80 H LEU 80 1.330 -1.608 -2.696 605 HA LEU 80 HA LEU 80 -0.563 -0.006 -4.263 606 1HB LEU 80 1HB LEU 80 -0.215 -0.460 -1.451 607 2HB LEU 80 2HB LEU 80 0.053 1.237 -1.798 608 HG LEU 80 HG LEU 80 -2.249 0.919 -1.215 609 1HD1 LEU 80 1HD1 LEU 80 -1.416 2.230 -3.462 610 2HD1 LEU 80 2HD1 LEU 80 -2.712 1.194 -4.108 611 3HD1 LEU 80 3HD1 LEU 80 -3.055 2.316 -2.771 612 1HD2 LEU 80 1HD2 LEU 80 -3.278 -1.009 -1.588 613 2HD2 LEU 80 2HD2 LEU 80 -3.353 -0.610 -3.321 614 3HD2 LEU 80 3HD2 LEU 80 -1.974 -1.535 -2.679 615 H ARG 81 H ARG 81 0.281 1.514 -5.576 616 HA ARG 81 HA ARG 81 2.718 2.786 -4.694 617 1HB ARG 81 1HB ARG 81 3.382 2.633 -7.290 618 2HB ARG 81 2HB ARG 81 3.810 1.351 -6.175 619 1HG ARG 81 1HG ARG 81 2.367 -0.146 -7.138 620 2HG ARG 81 2HG ARG 81 1.086 1.039 -7.292 621 1HD ARG 81 1HD ARG 81 1.563 0.803 -9.541 622 2HD ARG 81 2HD ARG 81 2.753 2.038 -9.178 623 HE ARG 81 HE ARG 81 4.041 -0.383 -8.606 624 1HH1 ARG 81 2HH2 ARG 81 2.515 1.064 -11.427 625 2HH1 ARG 81 1HH2 ARG 81 3.525 0.228 -12.560 626 1HH2 ARG 81 2HH1 ARG 81 5.373 -1.486 -10.100 627 2HH2 ARG 81 1HH1 ARG 81 5.162 -1.232 -11.800 628 H ILE 82 H ILE 82 3.035 4.934 -5.684 629 HA ILE 82 HA ILE 82 0.572 5.924 -6.944 630 HB ILE 82 HB ILE 82 2.435 7.178 -4.942 631 1HG1 ILE 82 1HG1 ILE 82 -0.509 7.353 -4.689 632 2HG1 ILE 82 2HG1 ILE 82 0.152 5.733 -4.577 633 1HG2 ILE 82 1HG2 ILE 82 2.244 9.020 -6.274 634 2HG2 ILE 82 2HG2 ILE 82 0.696 8.496 -6.979 635 3HG2 ILE 82 3HG2 ILE 82 0.740 9.180 -5.336 636 1HD1 ILE 82 1HD1 ILE 82 0.614 6.223 -2.406 637 2HD1 ILE 82 2HD1 ILE 82 1.934 7.243 -3.030 638 3HD1 ILE 82 3HD1 ILE 82 0.347 7.963 -2.667 639 H PHE 83 H PHE 83 0.759 7.295 -8.752 640 HA PHE 83 HA PHE 83 3.483 7.429 -9.842 641 1HB PHE 83 1HB PHE 83 1.270 7.616 -11.777 642 2HB PHE 83 2HB PHE 83 2.596 6.470 -11.760 643 HD1 PHE 83 1HD PHE 83 2.212 4.869 -9.422 644 HD2 PHE 83 2HD PHE 83 -0.725 6.495 -12.017 645 HE1 PHE 83 1HE PHE 83 0.622 3.039 -8.769 646 HE2 PHE 83 2HE PHE 83 -2.315 4.666 -11.365 647 HZ PHE 83 HZ PHE 83 -1.623 2.959 -9.749 648 H ASP 84 H ASP 84 3.931 9.291 -11.261 649 HA ASP 84 HA ASP 84 2.895 11.635 -10.137 650 1HB ASP 84 1HB ASP 84 4.331 11.542 -12.807 651 2HB ASP 84 2HB ASP 84 4.430 12.773 -11.563 652 H ILE 85 H ILE 85 1.547 13.277 -11.206 653 HA ILE 85 HA ILE 85 -0.213 12.113 -13.212 654 HB ILE 85 HB ILE 85 -1.245 12.995 -11.224 655 1HG1 ILE 85 1HG1 ILE 85 -1.801 14.866 -13.541 656 2HG1 ILE 85 2HG1 ILE 85 -2.355 13.205 -13.473 657 1HG2 ILE 85 1HG2 ILE 85 -1.168 15.569 -10.937 658 2HG2 ILE 85 2HG2 ILE 85 0.184 14.585 -10.327 659 3HG2 ILE 85 3HG2 ILE 85 0.347 15.463 -11.866 660 1HD1 ILE 85 1HD1 ILE 85 -3.477 15.556 -12.182 661 2HD1 ILE 85 2HD1 ILE 85 -4.155 13.916 -12.300 662 3HD1 ILE 85 3HD1 ILE 85 -3.060 14.331 -10.960 663 H LYS 86 H LYS 86 2.532 14.170 -12.926 664 HA LYS 86 HA LYS 86 1.892 15.382 -15.525 665 1HB LYS 86 1HB LYS 86 2.592 16.634 -13.146 666 2HB LYS 86 2HB LYS 86 4.105 16.581 -14.028 667 1HG LYS 86 1HG LYS 86 1.577 17.444 -15.460 668 2HG LYS 86 2HG LYS 86 2.410 18.583 -14.421 669 1HD LYS 86 1HD LYS 86 4.565 17.797 -15.781 670 2HD LYS 86 2HD LYS 86 3.387 17.283 -16.973 671 1HE LYS 86 1HE LYS 86 2.643 19.479 -17.396 672 2HE LYS 86 2HE LYS 86 3.132 20.064 -15.818 673 1HZ LYS 86 1HZ LYS 86 4.728 19.692 -18.194 674 2HZ LYS 86 2HZ LYS 86 4.807 20.864 -17.059 675 3HZ LYS 86 3HZ LYS 86 5.468 19.399 -16.768 676 H ASP 87 H ASP 87 4.350 13.685 -13.519 677 HA ASP 87 HA ASP 87 6.099 13.516 -15.777 678 1HB ASP 87 1HB ASP 87 6.403 13.412 -12.988 679 2HB ASP 87 2HB ASP 87 6.661 11.748 -13.474 680 H GLY 88 H GLY 88 3.366 11.856 -14.500 681 1HA GLY 88 1HA GLY 88 2.456 9.818 -14.808 682 2HA GLY 88 2HA GLY 88 3.151 9.926 -16.414 683 H LYS 89 H LYS 89 5.101 9.869 -13.404 684 HA LYS 89 HA LYS 89 6.013 7.188 -14.189 685 1HB LYS 89 1HB LYS 89 7.486 9.618 -13.976 686 2HB LYS 89 2HB LYS 89 7.990 8.590 -12.651 687 1HG LYS 89 1HG LYS 89 7.683 7.131 -15.216 688 2HG LYS 89 2HG LYS 89 8.894 8.396 -15.280 689 1HD LYS 89 1HD LYS 89 9.504 7.248 -12.851 690 2HD LYS 89 2HD LYS 89 8.888 5.853 -13.715 691 1HE LYS 89 1HE LYS 89 10.869 5.674 -14.802 692 2HE LYS 89 2HE LYS 89 10.574 7.223 -15.566 693 1HZ LYS 89 1HZ LYS 89 12.023 8.191 -14.225 694 2HZ LYS 89 2HZ LYS 89 11.442 7.479 -12.874 695 3HZ LYS 89 3HZ LYS 89 12.534 6.699 -13.805 696 H LEU 90 H LEU 90 7.536 6.612 -11.905 697 HA LEU 90 HA LEU 90 5.384 6.123 -10.044 698 1HB LEU 90 1HB LEU 90 7.985 4.959 -10.707 699 2HB LEU 90 2HB LEU 90 7.687 5.045 -8.982 700 HG LEU 90 HG LEU 90 7.025 2.895 -10.118 701 1HD1 LEU 90 1HD1 LEU 90 6.022 2.827 -8.118 702 2HD1 LEU 90 2HD1 LEU 90 5.441 4.505 -8.238 703 3HD1 LEU 90 3HD1 LEU 90 4.534 3.191 -9.024 704 1HD2 LEU 90 1HD2 LEU 90 6.032 3.325 -12.126 705 2HD2 LEU 90 2HD2 LEU 90 4.578 3.159 -11.110 706 3HD2 LEU 90 3HD2 LEU 90 5.190 4.777 -11.532 707 H LEU 91 H LEU 91 5.033 7.184 -8.149 708 HA LEU 91 HA LEU 91 7.063 9.177 -7.420 709 1HB LEU 91 1HB LEU 91 4.161 9.281 -7.716 710 2HB LEU 91 2HB LEU 91 4.703 9.881 -6.160 711 HG LEU 91 HG LEU 91 5.548 10.884 -8.889 712 1HD1 LEU 91 1HD1 LEU 91 3.993 12.466 -8.697 713 2HD1 LEU 91 2HD1 LEU 91 3.303 11.490 -7.377 714 3HD1 LEU 91 3HD1 LEU 91 4.437 12.811 -7.008 715 1HD2 LEU 91 1HD2 LEU 91 6.714 12.688 -7.468 716 2HD2 LEU 91 2HD2 LEU 91 6.633 11.497 -6.147 717 3HD2 LEU 91 3HD2 LEU 91 7.509 11.105 -7.646 718 H TRP 92 H TRP 92 5.147 6.380 -6.437 719 HA TRP 92 HA TRP 92 6.808 6.042 -4.144 720 1HB TRP 92 1HB TRP 92 5.338 7.648 -3.148 721 2HB TRP 92 2HB TRP 92 3.917 6.815 -3.748 722 HD1 TRP 92 HD TRP 92 6.771 6.229 -1.163 723 HE1 TRP 92 1HE TRP 92 5.959 4.632 0.775 724 HE3 TRP 92 3HE TRP 92 2.228 5.199 -3.201 725 HZ2 TRP 92 2HZ TRP 92 3.563 3.151 1.228 726 HZ3 TRP 92 3HZ TRP 92 0.713 3.668 -1.947 727 HH2 TRP 92 HH TRP 92 1.316 2.656 0.195 728 H GLU 93 H GLU 93 6.634 3.847 -3.369 729 HA GLU 93 HA GLU 93 4.609 2.215 -4.589 730 1HB GLU 93 1HB GLU 93 6.117 0.684 -5.682 731 2HB GLU 93 2HB GLU 93 6.530 2.294 -6.238 732 1HG GLU 93 1HG GLU 93 8.651 1.458 -5.716 733 2HG GLU 93 2HG GLU 93 8.245 2.272 -4.218 734 H GLN 94 H GLN 94 3.923 0.685 -3.132 735 HA GLN 94 HA GLN 94 5.810 0.007 -1.017 736 1HB GLN 94 1HB GLN 94 3.407 1.503 -0.715 737 2HB GLN 94 2HB GLN 94 3.057 -0.089 -0.073 738 1HG GLN 94 1HG GLN 94 5.330 1.768 0.756 739 2HG GLN 94 2HG GLN 94 3.962 1.273 1.733 740 1HE2 GLN 94 1HE2 GLN 94 3.689 -1.249 1.717 741 2HE2 GLN 94 2HE2 GLN 94 5.110 -2.148 2.132 742 H GLU 95 H GLU 95 5.894 -2.181 -0.460 743 HA GLU 95 HA GLU 95 4.190 -3.870 -2.103 744 1HB GLU 95 1HB GLU 95 6.861 -4.406 -0.735 745 2HB GLU 95 2HB GLU 95 5.932 -5.648 -1.550 746 1HG GLU 95 1HG GLU 95 6.015 -4.313 -3.670 747 2HG GLU 95 2HG GLU 95 6.954 -3.081 -2.854 748 H LEU 96 H LEU 96 2.303 -3.844 -0.760 749 HA LEU 96 HA LEU 96 2.103 -4.036 1.903 750 1HB LEU 96 1HB LEU 96 0.411 -5.665 0.009 751 2HB LEU 96 2HB LEU 96 -0.041 -5.047 1.585 752 HG LEU 96 HG LEU 96 0.422 -3.462 -0.950 753 1HD1 LEU 96 1HD1 LEU 96 -1.748 -3.859 -1.235 754 2HD1 LEU 96 2HD1 LEU 96 -1.912 -4.557 0.394 755 3HD1 LEU 96 3HD1 LEU 96 -2.038 -2.797 0.164 756 1HD2 LEU 96 1HD2 LEU 96 -0.044 -1.435 0.317 757 2HD2 LEU 96 2HD2 LEU 96 -0.133 -2.377 1.825 758 3HD2 LEU 96 3HD2 LEU 96 1.409 -2.252 0.944 759 H TYR 97 H TYR 97 2.351 -5.542 3.538 760 HA TYR 97 HA TYR 97 3.377 -8.163 2.679 761 1HB TYR 97 1HB TYR 97 4.572 -7.761 5.079 762 2HB TYR 97 2HB TYR 97 5.280 -7.095 3.621 763 HD1 TYR 97 1HD TYR 97 3.445 -6.316 6.708 764 HD2 TYR 97 2HD TYR 97 5.190 -4.693 3.155 765 HE1 TYR 97 1HE TYR 97 3.306 -3.979 7.699 766 HE2 TYR 97 2HE TYR 97 5.045 -2.361 4.158 767 HH TYR 97 HH TYR 97 3.519 -1.849 7.315 768 H ASN 98 H ASN 98 3.087 -9.905 4.329 769 HA ASN 98 HA ASN 98 1.642 -11.133 5.415 770 1HB ASN 98 1HB ASN 98 2.763 -9.364 7.162 771 2HB ASN 98 2HB ASN 98 1.082 -8.922 7.391 772 1HD2 ASN 98 1HD2 ASN 98 3.492 -11.413 7.692 773 2HD2 ASN 98 2HD2 ASN 98 2.611 -12.499 8.714 774 H ASN 99 H ASN 99 -0.629 -10.439 7.110 775 HA ASN 99 HA ASN 99 -2.539 -9.989 5.092 776 1HB ASN 99 1HB ASN 99 -4.184 -10.268 6.918 777 2HB ASN 99 2HB ASN 99 -2.926 -11.477 7.081 778 1HD2 ASN 99 1HD2 ASN 99 -4.385 -11.002 9.227 779 2HD2 ASN 99 2HD2 ASN 99 -3.533 -10.103 10.438 780 H PHE 100 H PHE 100 -1.012 -7.730 4.938 781 HA PHE 100 HA PHE 100 -1.175 -5.635 6.525 782 1HB PHE 100 1HB PHE 100 -0.265 -5.733 4.169 783 2HB PHE 100 2HB PHE 100 -1.898 -5.770 3.537 784 HD1 PHE 100 1HD PHE 100 0.551 -3.655 5.323 785 HD2 PHE 100 2HD PHE 100 -3.126 -3.770 3.209 786 HE1 PHE 100 1HE PHE 100 0.539 -1.148 5.208 787 HE2 PHE 100 2HE PHE 100 -3.138 -1.263 3.094 788 HZ PHE 100 HZ PHE 100 -1.306 0.018 4.095 789 H VAL 101 H VAL 101 -2.647 -4.203 7.391 790 HA VAL 101 HA VAL 101 -5.439 -4.638 6.589 791 HB VAL 101 HB VAL 101 -5.000 -5.331 8.850 792 1HG1 VAL 101 1HG1 VAL 101 -3.412 -4.374 10.087 793 2HG1 VAL 101 2HG1 VAL 101 -3.220 -3.083 8.876 794 3HG1 VAL 101 3HG1 VAL 101 -4.398 -2.895 10.197 795 1HG2 VAL 101 1HG2 VAL 101 -6.788 -4.273 9.863 796 2HG2 VAL 101 2HG2 VAL 101 -6.329 -2.667 9.248 797 3HG2 VAL 101 3HG2 VAL 101 -7.069 -3.861 8.154 798 H TYR 102 H TYR 102 -6.848 -2.699 6.613 799 HA TYR 102 HA TYR 102 -5.285 -0.278 6.013 800 1HB TYR 102 1HB TYR 102 -6.878 -1.858 4.344 801 2HB TYR 102 2HB TYR 102 -8.073 -0.728 4.951 802 HD1 TYR 102 1HD TYR 102 -4.480 -0.032 4.205 803 HD2 TYR 102 2HD TYR 102 -8.555 0.571 3.045 804 HE1 TYR 102 1HE TYR 102 -3.743 1.683 2.478 805 HE2 TYR 102 2HE TYR 102 -7.802 2.283 1.322 806 HH TYR 102 HH TYR 102 -6.145 3.357 0.460 807 H ASN 103 H ASN 103 -5.556 1.226 7.584 808 HA ASN 103 HA ASN 103 -7.968 1.096 9.148 809 1HB ASN 103 1HB ASN 103 -5.413 1.547 9.912 810 2HB ASN 103 2HB ASN 103 -5.839 3.210 9.557 811 1HD2 ASN 103 1HD2 ASN 103 -5.460 1.282 12.009 812 2HD2 ASN 103 2HD2 ASN 103 -6.720 1.759 13.098 813 H SER 104 H SER 104 -9.262 3.133 9.516 814 HA SER 104 HA SER 104 -8.754 5.312 7.747 815 1HB SER 104 1HB SER 104 -9.946 4.008 6.141 816 2HB SER 104 2HB SER 104 -11.096 3.428 7.329 817 HG SER 104 HG SER 104 -12.318 5.161 7.016 818 HA PRO 105 HA PRO 105 -10.820 6.256 11.691 819 1HB PRO 105 1HB PRO 105 -8.945 7.973 12.693 820 2HB PRO 105 2HB PRO 105 -8.985 6.264 13.082 821 1HG PRO 105 1HG PRO 105 -7.149 7.711 11.273 822 2HG PRO 105 2HG PRO 105 -6.955 6.127 11.997 823 1HD PRO 105 1HD PRO 105 -7.688 6.695 9.282 824 2HD PRO 105 2HD PRO 105 -7.606 5.116 10.037 825 H ARG 106 H ARG 106 -9.783 7.930 8.979 826 HA ARG 106 HA ARG 106 -11.434 10.174 9.824 827 1HB ARG 106 1HB ARG 106 -8.825 10.302 9.007 828 2HB ARG 106 2HB ARG 106 -9.613 10.455 7.450 829 1HG ARG 106 1HG ARG 106 -9.208 12.678 8.518 830 2HG ARG 106 2HG ARG 106 -10.913 12.390 8.228 831 1HD ARG 106 1HD ARG 106 -9.966 11.431 10.881 832 2HD ARG 106 2HD ARG 106 -9.824 13.164 10.663 833 HE ARG 106 HE ARG 106 -12.268 11.721 11.063 834 1HH1 ARG 106 2HH2 ARG 106 -10.970 14.356 9.125 835 2HH1 ARG 106 1HH2 ARG 106 -12.500 15.150 8.949 836 1HH2 ARG 106 2HH1 ARG 106 -14.285 12.768 10.832 837 2HH2 ARG 106 1HH1 ARG 106 -14.399 14.240 9.927 838 H GLY 107 H GLY 107 -12.498 11.327 7.796 839 1HA GLY 107 1HA GLY 107 -14.315 9.640 6.605 840 2HA GLY 107 2HA GLY 107 -13.876 11.233 6.022 841 H TYR 108 H TYR 108 -11.243 10.987 5.194 842 HA TYR 108 HA TYR 108 -11.168 8.666 3.423 843 1HB TYR 108 1HB TYR 108 -10.406 10.580 1.691 844 2HB TYR 108 2HB TYR 108 -12.115 10.274 1.930 845 HD1 TYR 108 1HD TYR 108 -13.313 12.255 1.840 846 HD2 TYR 108 2HD TYR 108 -9.561 12.212 3.895 847 HE1 TYR 108 1HE TYR 108 -13.649 14.682 2.518 848 HE2 TYR 108 2HE TYR 108 -9.909 14.640 4.565 849 HH TYR 108 HH TYR 108 -11.337 16.634 3.425 850 H PHE 109 H PHE 109 -9.622 8.774 5.657 851 HA PHE 109 HA PHE 109 -7.006 9.348 4.504 852 1HB PHE 109 1HB PHE 109 -8.103 11.129 6.203 853 2HB PHE 109 2HB PHE 109 -7.694 9.936 7.422 854 HD1 PHE 109 1HD PHE 109 -6.311 12.246 4.911 855 HD2 PHE 109 2HD PHE 109 -5.424 9.600 8.109 856 HE1 PHE 109 1HE PHE 109 -3.976 13.162 5.021 857 HE2 PHE 109 2HE PHE 109 -3.089 10.516 8.219 858 HZ PHE 109 HZ PHE 109 -2.394 12.286 6.674 859 H HIS 110 H HIS 110 -6.228 7.275 4.344 860 HA HIS 110 HA HIS 110 -6.693 5.520 6.628 861 1HB HIS 110 1HB HIS 110 -5.609 4.769 3.905 862 2HB HIS 110 2HB HIS 110 -6.194 3.692 5.156 863 HD2 HIS 110 2HD HIS 110 -8.919 6.063 5.358 864 HE1 HIS 110 1HE HIS 110 -9.920 3.866 1.854 865 HE2 HIS 110 2HE HIS 110 -10.767 5.452 3.715 866 H THR 111 H THR 111 -5.005 4.708 7.870 867 HA THR 111 HA THR 111 -2.353 5.810 7.210 868 HB THR 111 HB THR 111 -2.086 5.521 9.793 869 HG1 THR 111 1HG THR 111 -4.082 4.155 9.843 870 1HG2 THR 111 1HG2 THR 111 -3.190 7.653 8.280 871 2HG2 THR 111 2HG2 THR 111 -4.330 7.407 9.624 872 3HG2 THR 111 3HG2 THR 111 -2.614 7.741 9.961 873 H PHE 112 H PHE 112 -0.508 4.507 7.414 874 HA PHE 112 HA PHE 112 -0.848 1.763 8.180 875 1HB PHE 112 1HB PHE 112 -0.223 0.903 5.937 876 2HB PHE 112 2HB PHE 112 -1.642 1.915 5.762 877 HD1 PHE 112 1HD PHE 112 -1.371 4.260 4.896 878 HD2 PHE 112 2HD PHE 112 1.802 1.444 4.835 879 HE1 PHE 112 1HE PHE 112 -0.172 5.648 3.183 880 HE2 PHE 112 2HE PHE 112 3.001 2.832 3.121 881 HZ PHE 112 HZ PHE 112 2.000 4.917 2.315 882 H ALA 113 H ALA 113 1.399 0.565 7.477 883 HA ALA 113 HA ALA 113 3.483 2.430 8.369 884 1HB ALA 113 1HB ALA 113 4.078 0.811 9.809 885 2HB ALA 113 2HB ALA 113 2.636 -0.101 9.305 886 3HB ALA 113 3HB ALA 113 4.195 -0.381 8.492 887 H GLY 114 H GLY 114 5.268 2.806 7.096 888 1HA GLY 114 1HA GLY 114 5.364 1.322 4.538 889 2HA GLY 114 2HA GLY 114 5.775 3.014 4.728 890 H ASP 115 H ASP 115 7.077 -0.056 4.423 891 HA ASP 115 HA ASP 115 9.042 -0.927 4.706 892 1HB ASP 115 1HB ASP 115 10.005 0.946 3.565 893 2HB ASP 115 2HB ASP 115 9.753 2.017 4.929 894 H THR 116 H THR 116 9.898 1.850 6.836 895 HA THR 116 HA THR 116 9.378 0.259 9.225 896 HB THR 116 HB THR 116 11.724 0.568 9.989 897 HG1 THR 116 1HG THR 116 11.997 1.634 7.268 898 1HG2 THR 116 1HG2 THR 116 11.335 -1.474 8.600 899 2HG2 THR 116 2HG2 THR 116 11.614 -0.518 7.125 900 3HG2 THR 116 3HG2 THR 116 12.944 -0.787 8.278 901 H CYS 117 H CYS 117 8.533 2.856 7.666 902 HA CYS 117 HA CYS 117 8.706 4.524 10.065 903 1HB CYS 117 1HB CYS 117 8.629 6.506 8.436 904 2HB CYS 117 2HB CYS 117 10.154 5.663 8.620 905 HG CYS 117 HG CYS 117 7.892 4.737 6.407 906 H GLN 118 H GLN 118 6.775 5.933 10.349 907 HA GLN 118 HA GLN 118 4.451 4.581 9.344 908 1HB GLN 118 1HB GLN 118 5.031 5.635 11.785 909 2HB GLN 118 2HB GLN 118 4.193 7.005 11.085 910 1HG GLN 118 1HG GLN 118 2.755 4.531 10.482 911 2HG GLN 118 2HG GLN 118 3.027 4.666 12.208 912 1HE2 GLN 118 1HE2 GLN 118 1.281 5.413 13.130 913 2HE2 GLN 118 2HE2 GLN 118 0.320 6.761 12.621 914 H VAL 119 H VAL 119 3.037 5.373 7.799 915 HA VAL 119 HA VAL 119 3.285 8.174 7.045 916 HB VAL 119 HB VAL 119 3.234 7.345 4.610 917 1HG1 VAL 119 1HG1 VAL 119 5.842 6.910 6.089 918 2HG1 VAL 119 2HG1 VAL 119 5.598 7.525 4.437 919 3HG1 VAL 119 3HG1 VAL 119 5.128 8.521 5.836 920 1HG2 VAL 119 1HG2 VAL 119 2.877 4.938 5.257 921 2HG2 VAL 119 2HG2 VAL 119 4.224 5.216 4.126 922 3HG2 VAL 119 3HG2 VAL 119 4.556 4.911 5.848 923 H ALA 120 H ALA 120 1.399 8.935 5.803 924 HA ALA 120 HA ALA 120 -0.891 7.113 6.062 925 1HB ALA 120 1HB ALA 120 -2.175 9.295 6.604 926 2HB ALA 120 2HB ALA 120 -1.166 8.587 7.888 927 3HB ALA 120 3HB ALA 120 -0.575 9.988 6.962 928 H LEU 121 H LEU 121 -2.752 7.811 4.612 929 HA LEU 121 HA LEU 121 -1.754 9.256 2.265 930 1HB LEU 121 1HB LEU 121 -2.656 7.633 0.780 931 2HB LEU 121 2HB LEU 121 -1.548 6.841 1.882 932 HG LEU 121 HG LEU 121 -4.330 6.766 2.811 933 1HD1 LEU 121 1HD1 LEU 121 -4.789 6.705 0.410 934 2HD1 LEU 121 2HD1 LEU 121 -3.640 5.360 0.216 935 3HD1 LEU 121 3HD1 LEU 121 -5.123 5.131 1.172 936 1HD2 LEU 121 1HD2 LEU 121 -2.215 4.649 2.329 937 2HD2 LEU 121 2HD2 LEU 121 -2.582 5.466 3.867 938 3HD2 LEU 121 3HD2 LEU 121 -3.783 4.379 3.130 939 H ASN 122 H ASN 122 -3.317 10.505 1.166 940 HA ASN 122 HA ASN 122 -5.922 10.528 2.465 941 1HB ASN 122 1HB ASN 122 -4.834 12.492 3.344 942 2HB ASN 122 2HB ASN 122 -4.081 12.867 1.808 943 1HD2 ASN 122 1HD2 ASN 122 -4.932 14.466 0.736 944 2HD2 ASN 122 2HD2 ASN 122 -6.578 15.005 0.772 945 H PHE 123 H PHE 123 -7.536 10.268 0.908 946 HA PHE 123 HA PHE 123 -6.799 10.302 -1.852 947 1HB PHE 123 1HB PHE 123 -9.531 10.085 -0.455 948 2HB PHE 123 2HB PHE 123 -9.174 9.539 -2.082 949 HD1 PHE 123 1HD PHE 123 -7.683 7.562 -2.413 950 HD2 PHE 123 2HD PHE 123 -9.054 8.718 1.432 951 HE1 PHE 123 1HE PHE 123 -7.101 5.288 -1.522 952 HE2 PHE 123 2HE PHE 123 -8.474 6.445 2.323 953 HZ PHE 123 HZ PHE 123 -7.503 4.757 0.835 954 H ALA 124 H ALA 124 -8.170 11.471 -3.516 955 HA ALA 124 HA ALA 124 -8.338 14.242 -2.738 956 1HB ALA 124 1HB ALA 124 -8.704 14.582 -5.160 957 2HB ALA 124 2HB ALA 124 -7.280 13.559 -4.857 958 3HB ALA 124 3HB ALA 124 -8.809 12.820 -5.391 959 H ASN 125 H ASN 125 -10.466 11.467 -3.324 960 HA ASN 125 HA ASN 125 -12.712 13.278 -2.898 961 1HB ASN 125 1HB ASN 125 -12.256 11.449 -5.045 962 2HB ASN 125 2HB ASN 125 -13.475 10.686 -4.043 963 1HD2 ASN 125 1HD2 ASN 125 -12.595 13.790 -5.525 964 2HD2 ASN 125 2HD2 ASN 125 -14.200 14.329 -5.891 965 H GLU 126 H GLU 126 -14.506 12.306 -1.571 966 HA GLU 126 HA GLU 126 -13.435 10.700 0.501 967 1HB GLU 126 1HB GLU 126 -15.125 12.600 0.761 968 2HB GLU 126 2HB GLU 126 -16.337 11.528 0.087 969 1HG GLU 126 1HG GLU 126 -15.802 9.854 1.917 970 2HG GLU 126 2HG GLU 126 -14.706 11.027 2.620 971 H GLU 127 H GLU 127 -16.049 10.293 -1.988 972 HA GLU 127 HA GLU 127 -16.783 7.759 -1.262 973 1HB GLU 127 1HB GLU 127 -16.866 9.304 -3.860 974 2HB GLU 127 2HB GLU 127 -17.368 7.625 -3.846 975 1HG GLU 127 1HG GLU 127 -19.399 8.673 -3.370 976 2HG GLU 127 2HG GLU 127 -18.820 8.355 -1.746 977 H GLU 128 H GLU 128 -14.280 8.834 -3.657 978 HA GLU 128 HA GLU 128 -13.568 6.350 -4.543 979 1HB GLU 128 1HB GLU 128 -12.368 9.055 -4.494 980 2HB GLU 128 2HB GLU 128 -11.178 7.772 -4.576 981 1HG GLU 128 1HG GLU 128 -13.239 7.012 -6.390 982 2HG GLU 128 2HG GLU 128 -12.993 8.726 -6.654 983 H ALA 129 H ALA 129 -12.848 7.988 -1.487 984 HA ALA 129 HA ALA 129 -10.698 6.213 -0.804 985 1HB ALA 129 1HB ALA 129 -10.760 8.539 -0.010 986 2HB ALA 129 2HB ALA 129 -12.304 8.228 0.821 987 3HB ALA 129 3HB ALA 129 -10.819 7.410 1.366 988 H LYS 130 H LYS 130 -14.218 6.548 -0.151 989 HA LYS 130 HA LYS 130 -14.317 4.541 1.814 990 1HB LYS 130 1HB LYS 130 -16.036 6.266 1.547 991 2HB LYS 130 2HB LYS 130 -16.471 5.627 -0.025 992 1HG LYS 130 1HG LYS 130 -17.070 3.436 1.042 993 2HG LYS 130 2HG LYS 130 -16.655 4.093 2.612 994 1HD LYS 130 1HD LYS 130 -18.543 5.453 2.708 995 2HD LYS 130 2HD LYS 130 -18.601 5.688 0.972 996 1HE LYS 130 1HE LYS 130 -19.036 2.866 1.742 997 2HE LYS 130 2HE LYS 130 -20.223 3.942 2.450 998 1HZ LYS 130 1HZ LYS 130 -21.190 3.867 0.482 999 2HZ LYS 130 2HZ LYS 130 -19.988 4.807 -0.099 1000 3HZ LYS 130 3HZ LYS 130 -19.903 3.184 -0.255 1001 H LYS 131 H LYS 131 -14.630 4.533 -1.772 1002 HA LYS 131 HA LYS 131 -15.314 1.775 -1.869 1003 1HB LYS 131 1HB LYS 131 -15.077 2.040 -4.276 1004 2HB LYS 131 2HB LYS 131 -16.013 3.357 -3.598 1005 1HG LYS 131 1HG LYS 131 -14.540 4.539 -4.977 1006 2HG LYS 131 2HG LYS 131 -13.678 4.602 -3.452 1007 1HD LYS 131 1HD LYS 131 -11.950 3.362 -4.265 1008 2HD LYS 131 2HD LYS 131 -13.030 2.142 -4.911 1009 1HE LYS 131 1HE LYS 131 -12.843 4.798 -6.343 1010 2HE LYS 131 2HE LYS 131 -11.527 3.657 -6.531 1011 1HZ LYS 131 1HZ LYS 131 -12.818 2.268 -7.690 1012 2HZ LYS 131 2HZ LYS 131 -14.168 2.558 -6.818 1013 3HZ LYS 131 3HZ LYS 131 -13.714 3.601 -7.990 1014 H PHE 132 H PHE 132 -12.336 3.654 -1.651 1015 HA PHE 132 HA PHE 132 -10.582 1.783 -2.730 1016 1HB PHE 132 1HB PHE 132 -10.550 4.326 -1.544 1017 2HB PHE 132 2HB PHE 132 -9.744 3.365 -0.321 1018 HD1 PHE 132 1HD PHE 132 -7.534 2.513 -0.673 1019 HD2 PHE 132 2HD PHE 132 -9.567 4.526 -3.808 1020 HE1 PHE 132 1HE PHE 132 -5.387 2.672 -1.963 1021 HE2 PHE 132 2HE PHE 132 -7.419 4.685 -5.099 1022 HZ PHE 132 HZ PHE 132 -5.355 3.756 -4.161 1023 H ARG 133 H ARG 133 -11.462 2.410 0.746 1024 HA ARG 133 HA ARG 133 -9.971 0.283 1.693 1025 1HB ARG 133 1HB ARG 133 -11.190 2.347 2.892 1026 2HB ARG 133 2HB ARG 133 -12.493 1.194 3.107 1027 1HG ARG 133 1HG ARG 133 -10.297 -0.312 3.883 1028 2HG ARG 133 2HG ARG 133 -9.817 1.290 4.406 1029 1HD ARG 133 1HD ARG 133 -11.405 1.365 6.064 1030 2HD ARG 133 2HD ARG 133 -12.642 0.648 5.051 1031 HE ARG 133 HE ARG 133 -10.564 -1.262 5.815 1032 1HH1 ARG 133 2HH2 ARG 133 -13.578 0.248 6.822 1033 2HH1 ARG 133 1HH2 ARG 133 -14.014 -1.040 7.895 1034 1HH2 ARG 133 2HH1 ARG 133 -11.138 -2.961 7.230 1035 2HH2 ARG 133 1HH1 ARG 133 -12.617 -2.878 8.129 1036 H LYS 134 H LYS 134 -13.416 0.605 0.676 1037 HA LYS 134 HA LYS 134 -14.284 -1.888 1.570 1038 1HB LYS 134 1HB LYS 134 -15.382 0.330 0.288 1039 2HB LYS 134 2HB LYS 134 -15.576 -0.961 -0.881 1040 1HG LYS 134 1HG LYS 134 -16.778 -2.347 0.696 1041 2HG LYS 134 2HG LYS 134 -16.329 -1.326 2.048 1042 1HD LYS 134 1HD LYS 134 -17.665 0.553 1.074 1043 2HD LYS 134 2HD LYS 134 -18.112 -0.466 -0.279 1044 1HE LYS 134 1HE LYS 134 -19.957 -0.873 1.054 1045 2HE LYS 134 2HE LYS 134 -18.910 -2.119 1.704 1046 1HZ LYS 134 1HZ LYS 134 -19.709 0.382 2.887 1047 2HZ LYS 134 2HZ LYS 134 -19.417 -1.061 3.595 1048 3HZ LYS 134 3HZ LYS 134 -18.173 -0.086 3.184 1049 H ALA 135 H ALA 135 -12.484 -0.855 -1.334 1050 HA ALA 135 HA ALA 135 -12.828 -3.320 -2.702 1051 1HB ALA 135 1HB ALA 135 -10.636 -1.248 -3.070 1052 2HB ALA 135 2HB ALA 135 -11.279 -2.384 -4.278 1053 3HB ALA 135 3HB ALA 135 -12.289 -1.039 -3.697 1054 H VAL 136 H VAL 136 -10.187 -1.844 -0.704 1055 HA VAL 136 HA VAL 136 -8.379 -3.916 -0.948 1056 HB VAL 136 HB VAL 136 -8.942 -1.877 1.193 1057 1HG1 VAL 136 1HG1 VAL 136 -7.881 -3.335 2.592 1058 2HG1 VAL 136 2HG1 VAL 136 -7.053 -4.184 1.265 1059 3HG1 VAL 136 3HG1 VAL 136 -6.444 -2.610 1.830 1060 1HG2 VAL 136 1HG2 VAL 136 -8.065 -1.140 -1.026 1061 2HG2 VAL 136 2HG2 VAL 136 -6.972 -0.778 0.331 1062 3HG2 VAL 136 3HG2 VAL 136 -6.626 -2.150 -0.748 1063 H THR 137 H THR 137 -10.772 -3.349 1.735 1064 HA THR 137 HA THR 137 -10.322 -5.697 3.095 1065 HB THR 137 HB THR 137 -12.581 -5.247 4.034 1066 HG1 THR 137 1HG THR 137 -12.681 -3.260 1.889 1067 1HG2 THR 137 1HG2 THR 137 -11.641 -3.443 5.077 1068 2HG2 THR 137 2HG2 THR 137 -10.545 -3.173 3.701 1069 3HG2 THR 137 3HG2 THR 137 -12.169 -2.446 3.701 1070 H ASP 138 H ASP 138 -12.668 -5.121 0.397 1071 HA ASP 138 HA ASP 138 -13.754 -7.615 0.396 1072 1HB ASP 138 1HB ASP 138 -13.475 -5.364 -1.486 1073 2HB ASP 138 2HB ASP 138 -13.546 -6.901 -2.326 1074 H LEU 139 H LEU 139 -10.680 -6.364 -0.975 1075 HA LEU 139 HA LEU 139 -10.113 -8.710 -2.482 1076 1HB LEU 139 1HB LEU 139 -8.985 -6.082 -2.044 1077 2HB LEU 139 2HB LEU 139 -7.736 -7.311 -1.992 1078 HG LEU 139 HG LEU 139 -8.507 -8.146 -4.212 1079 1HD1 LEU 139 1HD1 LEU 139 -10.565 -6.048 -3.788 1080 2HD1 LEU 139 2HD1 LEU 139 -9.895 -6.199 -5.429 1081 3HD1 LEU 139 3HD1 LEU 139 -10.660 -7.604 -4.649 1082 1HD2 LEU 139 1HD2 LEU 139 -7.441 -6.433 -5.500 1083 2HD2 LEU 139 2HD2 LEU 139 -7.785 -5.206 -4.256 1084 3HD2 LEU 139 3HD2 LEU 139 -6.633 -6.519 -3.916 1085 H LEU 140 H LEU 140 -9.044 -7.366 0.704 1086 HA LEU 140 HA LEU 140 -7.284 -9.448 1.293 1087 1HB LEU 140 1HB LEU 140 -8.546 -7.191 2.675 1088 2HB LEU 140 2HB LEU 140 -8.193 -8.549 3.726 1089 HG LEU 140 HG LEU 140 -5.840 -8.306 2.319 1090 1HD1 LEU 140 1HD1 LEU 140 -5.233 -5.922 2.361 1091 2HD1 LEU 140 2HD1 LEU 140 -6.551 -6.262 1.214 1092 3HD1 LEU 140 3HD1 LEU 140 -6.912 -5.510 2.786 1093 1HD2 LEU 140 1HD2 LEU 140 -6.200 -6.714 4.830 1094 2HD2 LEU 140 2HD2 LEU 140 -6.472 -8.474 4.864 1095 3HD2 LEU 140 3HD2 LEU 140 -4.894 -7.826 4.354 1096 H GLY 141 H GLY 141 -10.822 -9.053 1.746 1097 1HA GLY 141 1HA GLY 141 -11.232 -11.287 3.400 1098 2HA GLY 141 2HA GLY 141 -12.416 -10.509 2.369 1099 H ARG 142 H ARG 142 -11.413 -10.878 -0.209 1100 HA ARG 142 HA ARG 142 -12.175 -13.491 -0.677 1101 1HB ARG 142 1HB ARG 142 -11.665 -11.168 -2.205 1102 2HB ARG 142 2HB ARG 142 -10.516 -12.337 -2.824 1103 1HG ARG 142 1HG ARG 142 -12.774 -13.905 -2.660 1104 2HG ARG 142 2HG ARG 142 -13.499 -12.342 -2.981 1105 1HD ARG 142 1HD ARG 142 -11.232 -12.590 -4.735 1106 2HD ARG 142 2HD ARG 142 -12.118 -14.099 -4.827 1107 HE ARG 142 HE ARG 142 -13.029 -11.487 -5.767 1108 1HH1 ARG 142 2HH2 ARG 142 -14.086 -14.650 -4.645 1109 2HH1 ARG 142 1HH2 ARG 142 -15.622 -14.562 -5.441 1110 1HH2 ARG 142 2HH1 ARG 142 -15.055 -11.369 -6.817 1111 2HH2 ARG 142 1HH1 ARG 142 -16.177 -12.682 -6.685 1112 H ARG 143 H ARG 143 -8.943 -11.873 -0.578 1113 HA ARG 143 HA ARG 143 -6.960 -12.666 -0.202 1114 1HB ARG 143 1HB ARG 143 -8.403 -14.481 1.190 1115 2HB ARG 143 2HB ARG 143 -7.798 -15.563 -0.048 1116 1HG ARG 143 1HG ARG 143 -5.491 -15.070 0.510 1117 2HG ARG 143 2HG ARG 143 -5.952 -13.708 1.513 1118 1HD ARG 143 1HD ARG 143 -6.928 -15.152 3.199 1119 2HD ARG 143 2HD ARG 143 -6.875 -16.547 2.139 1120 HE ARG 143 HE ARG 143 -4.246 -15.331 2.664 1121 1HH1 ARG 143 2HH2 ARG 143 -6.606 -17.731 3.688 1122 2HH1 ARG 143 1HH2 ARG 143 -5.446 -18.692 4.545 1123 1HH2 ARG 143 2HH1 ARG 143 -2.716 -16.598 3.793 1124 2HH2 ARG 143 1HH1 ARG 143 -3.219 -18.042 4.605 1125 H GLN 144 H GLN 144 -8.794 -15.249 -2.012 1126 HA GLN 144 HA GLN 144 -6.572 -15.466 -3.829 1127 1HB GLN 144 1HB GLN 144 -8.889 -17.129 -3.047 1128 2HB GLN 144 2HB GLN 144 -8.576 -17.156 -4.771 1129 1HG GLN 144 1HG GLN 144 -6.797 -18.524 -4.464 1130 2HG GLN 144 2HG GLN 144 -6.035 -17.343 -3.418 1131 1HE2 GLN 144 1HE2 GLN 144 -6.438 -17.371 -1.179 1132 2HE2 GLN 144 2HE2 GLN 144 -6.968 -18.800 -0.357 Start of MODEL 18 1 1H ASP 1 H ASP 1 -3.918 20.010 11.143 2 HA ASP 1 HA ASP 1 -6.097 20.265 11.688 3 1HB ASP 1 1HB ASP 1 -6.321 21.000 8.774 4 2HB ASP 1 2HB ASP 1 -7.754 20.356 9.551 5 H LEU 2 H LEU 2 -4.267 18.038 10.521 6 HA LEU 2 HA LEU 2 -6.304 16.184 9.550 7 1HB LEU 2 1HB LEU 2 -3.473 15.360 9.705 8 2HB LEU 2 2HB LEU 2 -4.674 15.073 8.461 9 HG LEU 2 HG LEU 2 -3.528 17.830 8.825 10 1HD1 LEU 2 1HD1 LEU 2 -2.039 16.696 6.776 11 2HD1 LEU 2 2HD1 LEU 2 -1.465 17.102 8.411 12 3HD1 LEU 2 3HD1 LEU 2 -2.033 15.454 8.050 13 1HD2 LEU 2 1HD2 LEU 2 -5.469 16.808 7.166 14 2HD2 LEU 2 2HD2 LEU 2 -4.551 18.310 6.899 15 3HD2 LEU 2 3HD2 LEU 2 -4.023 16.794 6.129 16 HA PRO 3 HA PRO 3 -6.143 13.740 13.127 17 1HB PRO 3 1HB PRO 3 -5.533 11.180 12.392 18 2HB PRO 3 2HB PRO 3 -7.118 11.890 12.165 19 1HG PRO 3 1HG PRO 3 -5.020 11.362 10.152 20 2HG PRO 3 2HG PRO 3 -6.728 11.661 9.903 21 1HD PRO 3 1HD PRO 3 -4.581 13.514 9.477 22 2HD PRO 3 2HD PRO 3 -6.296 13.848 9.341 23 HA PRO 4 HA PRO 4 -2.342 13.394 14.974 24 1HB PRO 4 1HB PRO 4 -2.801 11.751 17.109 25 2HB PRO 4 2HB PRO 4 -3.219 13.452 17.102 26 1HG PRO 4 1HG PRO 4 -4.999 11.107 16.841 27 2HG PRO 4 2HG PRO 4 -5.413 12.758 17.258 28 1HD PRO 4 1HD PRO 4 -5.817 11.476 14.725 29 2HD PRO 4 2HD PRO 4 -6.122 13.158 15.109 30 HA PRO 5 HA PRO 5 -0.389 9.989 13.317 31 1HB PRO 5 1HB PRO 5 2.200 10.613 13.929 32 2HB PRO 5 2HB PRO 5 1.366 11.253 12.527 33 1HG PRO 5 1HG PRO 5 2.027 12.609 15.070 34 2HG PRO 5 2HG PRO 5 1.591 13.319 13.527 35 1HD PRO 5 1HD PRO 5 -0.096 13.054 15.833 36 2HD PRO 5 2HD PRO 5 -0.564 13.657 14.255 37 H GLU 6 H GLU 6 -0.246 7.922 13.934 38 HA GLU 6 HA GLU 6 -0.042 7.569 16.772 39 1HB GLU 6 1HB GLU 6 -1.185 6.122 14.528 40 2HB GLU 6 2HB GLU 6 -0.144 5.046 15.439 41 1HG GLU 6 1HG GLU 6 -1.489 6.384 17.471 42 2HG GLU 6 2HG GLU 6 -2.720 6.296 16.228 43 HA PRO 7 HA PRO 7 4.116 6.331 16.730 44 1HB PRO 7 1HB PRO 7 4.253 4.771 18.971 45 2HB PRO 7 2HB PRO 7 4.280 6.523 19.020 46 1HG PRO 7 1HG PRO 7 2.072 4.683 19.711 47 2HG PRO 7 2HG PRO 7 2.273 6.370 20.145 48 1HD PRO 7 1HD PRO 7 0.534 5.313 18.124 49 2HD PRO 7 2HD PRO 7 0.821 7.005 18.479 50 H TYR 8 H TYR 8 5.093 5.126 15.242 51 HA TYR 8 HA TYR 8 4.083 2.374 15.061 52 1HB TYR 8 1HB TYR 8 3.877 3.811 13.031 53 2HB TYR 8 2HB TYR 8 5.539 4.342 13.194 54 HD1 TYR 8 1HD TYR 8 7.075 3.410 11.735 55 HD2 TYR 8 2HD TYR 8 3.664 1.096 12.884 56 HE1 TYR 8 1HE TYR 8 7.820 1.530 10.192 57 HE2 TYR 8 2HE TYR 8 4.421 -0.774 11.337 58 HH TYR 8 HH TYR 8 6.174 -0.551 8.966 59 H VAL 9 H VAL 9 5.366 0.782 15.838 60 HA VAL 9 HA VAL 9 8.261 1.234 15.720 61 HB VAL 9 HB VAL 9 7.365 1.688 17.990 62 1HG1 VAL 9 1HG1 VAL 9 6.088 0.246 19.185 63 2HG1 VAL 9 2HG1 VAL 9 5.647 -0.365 17.572 64 3HG1 VAL 9 3HG1 VAL 9 6.900 -1.194 18.527 65 1HG2 VAL 9 1HG2 VAL 9 9.665 0.980 17.751 66 2HG2 VAL 9 2HG2 VAL 9 8.966 0.194 19.187 67 3HG2 VAL 9 3HG2 VAL 9 9.175 -0.730 17.680 68 H GLN 10 H GLN 10 9.178 -0.304 14.471 69 HA GLN 10 HA GLN 10 8.784 -2.986 14.882 70 1HB GLN 10 1HB GLN 10 6.655 -1.864 13.344 71 2HB GLN 10 2HB GLN 10 7.648 -2.766 12.217 72 1HG GLN 10 1HG GLN 10 6.908 -4.749 13.038 73 2HG GLN 10 2HG GLN 10 7.345 -4.299 14.675 74 1HE2 GLN 10 1HE2 GLN 10 5.792 -4.054 16.090 75 2HE2 GLN 10 2HE2 GLN 10 4.112 -3.785 15.765 76 H THR 11 H THR 11 11.024 -3.120 14.658 77 HA THR 11 HA THR 11 12.417 -1.844 12.544 78 HB THR 11 HB THR 11 13.413 -2.392 14.761 79 HG1 THR 11 1HG THR 11 15.275 -3.627 13.702 80 1HG2 THR 11 1HG2 THR 11 14.188 -4.929 14.863 81 2HG2 THR 11 2HG2 THR 11 12.574 -4.494 15.475 82 3HG2 THR 11 3HG2 THR 11 12.747 -5.214 13.857 83 H THR 12 H THR 12 13.092 -2.528 10.561 84 HA THR 12 HA THR 12 12.918 -3.668 8.650 85 HB THR 12 HB THR 12 14.356 -5.136 10.503 86 HG1 THR 12 1HG THR 12 14.648 -4.702 8.128 87 1HG2 THR 12 1HG2 THR 12 13.727 -7.447 10.359 88 2HG2 THR 12 2HG2 THR 12 12.208 -6.611 10.761 89 3HG2 THR 12 3HG2 THR 12 12.527 -7.122 9.086 90 H LYS 13 H LYS 13 11.840 -5.834 7.606 91 HA LYS 13 HA LYS 13 9.231 -6.289 8.754 92 1HB LYS 13 1HB LYS 13 9.677 -4.416 6.519 93 2HB LYS 13 2HB LYS 13 8.467 -5.642 6.198 94 1HG LYS 13 1HG LYS 13 8.317 -4.372 8.903 95 2HG LYS 13 2HG LYS 13 7.958 -3.312 7.554 96 1HD LYS 13 1HD LYS 13 6.130 -4.663 6.817 97 2HD LYS 13 2HD LYS 13 6.670 -6.058 7.728 98 1HE LYS 13 1HE LYS 13 4.916 -5.272 9.078 99 2HE LYS 13 2HE LYS 13 6.303 -4.526 9.846 100 1HZ LYS 13 1HZ LYS 13 5.621 -2.763 7.931 101 2HZ LYS 13 2HZ LYS 13 4.166 -3.301 8.439 102 3HZ LYS 13 3HZ LYS 13 5.212 -2.649 9.508 103 H SER 14 H SER 14 7.964 -7.773 7.018 104 HA SER 14 HA SER 14 9.960 -9.532 5.841 105 1HB SER 14 1HB SER 14 7.868 -10.162 7.886 106 2HB SER 14 2HB SER 14 8.053 -11.332 6.595 107 HG SER 14 HG SER 14 9.780 -10.715 8.719 108 H TYR 15 H TYR 15 9.561 -9.596 3.661 109 HA TYR 15 HA TYR 15 6.800 -9.162 2.784 110 1HB TYR 15 1HB TYR 15 9.583 -9.092 1.459 111 2HB TYR 15 2HB TYR 15 8.101 -8.784 0.574 112 HD1 TYR 15 1HD TYR 15 6.915 -6.678 0.799 113 HD2 TYR 15 2HD TYR 15 10.416 -7.466 3.127 114 HE1 TYR 15 1HE TYR 15 7.061 -4.218 1.423 115 HE2 TYR 15 2HE TYR 15 10.550 -5.003 3.744 116 HH TYR 15 HH TYR 15 9.288 -3.105 3.849 117 HA PRO 16 HA PRO 16 6.562 -13.280 1.461 118 1HB PRO 16 1HB PRO 16 4.442 -13.111 -0.253 119 2HB PRO 16 2HB PRO 16 4.261 -13.223 1.485 120 1HG PRO 16 1HG PRO 16 3.923 -10.865 -0.265 121 2HG PRO 16 2HG PRO 16 3.348 -11.108 1.373 122 1HD PRO 16 1HD PRO 16 5.600 -9.527 0.561 123 2HD PRO 16 2HD PRO 16 5.094 -9.865 2.205 124 H SER 17 H SER 17 6.462 -10.857 -1.085 125 HA SER 17 HA SER 17 7.182 -12.606 -3.100 126 1HB SER 17 1HB SER 17 7.403 -10.696 -4.445 127 2HB SER 17 2HB SER 17 6.308 -10.146 -3.193 128 HG SER 17 HG SER 17 7.915 -8.563 -3.434 129 H LYS 18 H LYS 18 9.104 -10.653 -0.768 130 HA LYS 18 HA LYS 18 11.502 -12.016 -1.781 131 1HB LYS 18 1HB LYS 18 11.057 -9.179 -0.902 132 2HB LYS 18 2HB LYS 18 12.629 -9.915 -0.663 133 1HG LYS 18 1HG LYS 18 12.821 -10.433 -3.055 134 2HG LYS 18 2HG LYS 18 11.172 -9.916 -3.347 135 1HD LYS 18 1HD LYS 18 11.722 -7.598 -2.794 136 2HD LYS 18 2HD LYS 18 13.318 -8.054 -2.233 137 1HE LYS 18 1HE LYS 18 12.736 -8.931 -5.013 138 2HE LYS 18 2HE LYS 18 12.715 -7.191 -4.807 139 1HZ LYS 18 1HZ LYS 18 14.917 -8.972 -4.718 140 2HZ LYS 18 2HZ LYS 18 14.900 -7.353 -4.935 141 3HZ LYS 18 3HZ LYS 18 14.892 -7.974 -3.424 142 H LEU 19 H LEU 19 10.236 -13.630 -0.189 143 HA LEU 19 HA LEU 19 11.082 -13.034 2.548 144 1HB LEU 19 1HB LEU 19 8.695 -13.946 1.556 145 2HB LEU 19 2HB LEU 19 9.476 -15.439 2.042 146 HG LEU 19 HG LEU 19 9.230 -13.069 3.903 147 1HD1 LEU 19 1HD1 LEU 19 7.206 -15.156 3.193 148 2HD1 LEU 19 2HD1 LEU 19 7.320 -14.597 4.879 149 3HD1 LEU 19 3HD1 LEU 19 6.991 -13.432 3.574 150 1HD2 LEU 19 1HD2 LEU 19 10.814 -14.475 4.818 151 2HD2 LEU 19 2HD2 LEU 19 9.316 -15.074 5.570 152 3HD2 LEU 19 3HD2 LEU 19 10.032 -15.947 4.194 153 H ALA 20 H ALA 20 11.840 -14.878 -0.308 154 HA ALA 20 HA ALA 20 13.493 -16.282 -0.754 155 1HB ALA 20 1HB ALA 20 15.076 -16.578 1.505 156 2HB ALA 20 2HB ALA 20 15.283 -15.332 0.250 157 3HB ALA 20 3HB ALA 20 14.366 -14.961 1.729 158 H ARG 21 H ARG 21 10.890 -16.915 0.894 159 HA ARG 21 HA ARG 21 11.529 -19.139 2.440 160 1HB ARG 21 1HB ARG 21 9.365 -17.768 2.492 161 2HB ARG 21 2HB ARG 21 8.885 -18.571 1.010 162 1HG ARG 21 1HG ARG 21 9.743 -20.275 3.355 163 2HG ARG 21 2HG ARG 21 8.157 -19.532 3.401 164 1HD ARG 21 1HD ARG 21 7.928 -20.522 0.939 165 2HD ARG 21 2HD ARG 21 9.226 -21.584 1.445 166 HE ARG 21 HE ARG 21 7.127 -21.494 3.444 167 1HH1 ARG 21 2HH2 ARG 21 7.972 -22.901 0.331 168 2HH1 ARG 21 1HH2 ARG 21 6.945 -24.281 0.532 169 1HH2 ARG 21 2HH1 ARG 21 5.771 -23.315 3.709 170 2HH2 ARG 21 1HH1 ARG 21 5.685 -24.519 2.466 171 H ASN 22 H ASN 22 10.354 -18.729 -0.966 172 HA ASN 22 HA ASN 22 10.632 -21.569 -1.364 173 1HB ASN 22 1HB ASN 22 9.526 -19.266 -3.027 174 2HB ASN 22 2HB ASN 22 9.829 -20.826 -3.767 175 1HD2 ASN 22 1HD2 ASN 22 8.722 -22.674 -3.035 176 2HD2 ASN 22 2HD2 ASN 22 7.200 -22.570 -2.215 177 H GLU 23 H GLU 23 11.569 -18.509 -3.131 178 HA GLU 23 HA GLU 23 14.238 -19.535 -3.407 179 1HB GLU 23 1HB GLU 23 12.352 -19.873 -5.513 180 2HB GLU 23 2HB GLU 23 13.396 -18.558 -6.017 181 1HG GLU 23 1HG GLU 23 14.978 -20.698 -4.802 182 2HG GLU 23 2HG GLU 23 13.978 -21.340 -6.090 183 H SER 24 H SER 24 15.651 -17.785 -4.605 184 HA SER 24 HA SER 24 14.583 -15.171 -4.620 185 1HB SER 24 1HB SER 24 15.421 -16.048 -2.104 186 2HB SER 24 2HB SER 24 16.831 -15.195 -2.701 187 HG SER 24 HG SER 24 14.166 -14.067 -2.762 188 H ARG 25 H ARG 25 15.783 -13.970 -6.087 189 HA ARG 25 HA ARG 25 18.550 -14.262 -6.305 190 1HB ARG 25 1HB ARG 25 17.494 -16.368 -7.534 191 2HB ARG 25 2HB ARG 25 17.121 -15.223 -8.807 192 1HG ARG 25 1HG ARG 25 19.335 -14.948 -9.409 193 2HG ARG 25 2HG ARG 25 19.912 -15.067 -7.759 194 1HD ARG 25 1HD ARG 25 18.822 -17.635 -8.414 195 2HD ARG 25 2HD ARG 25 19.786 -17.143 -9.792 196 HE ARG 25 HE ARG 25 21.350 -16.543 -7.530 197 1HH1 ARG 25 2HH2 ARG 25 19.916 -19.419 -8.964 198 2HH1 ARG 25 1HH2 ARG 25 21.135 -20.487 -8.354 199 1HH2 ARG 25 2HH1 ARG 25 22.959 -17.952 -6.725 200 2HH2 ARG 25 1HH1 ARG 25 22.878 -19.647 -7.072 201 H GLY 26 H GLY 26 19.433 -12.534 -7.590 202 1HA GLY 26 1HA GLY 26 17.444 -10.827 -8.953 203 2HA GLY 26 2HA GLY 26 18.592 -10.165 -7.806 204 H SER 27 H SER 27 18.062 -11.215 -11.082 205 HA SER 27 HA SER 27 20.731 -11.635 -11.793 206 1HB SER 27 1HB SER 27 18.171 -11.723 -13.046 207 2HB SER 27 2HB SER 27 19.135 -10.616 -14.003 208 HG SER 27 HG SER 27 20.073 -12.336 -14.847 209 H GLY 28 H GLY 28 21.845 -10.162 -13.541 210 1HA GLY 28 1HA GLY 28 22.454 -7.697 -12.407 211 2HA GLY 28 2HA GLY 28 22.816 -8.200 -14.046 212 H SER 29 H SER 29 21.789 -7.181 -15.732 213 HA SER 29 HA SER 29 19.364 -5.722 -15.035 214 1HB SER 29 1HB SER 29 21.862 -4.769 -16.410 215 2HB SER 29 2HB SER 29 20.334 -4.138 -16.993 216 HG SER 29 HG SER 29 21.225 -4.061 -14.235 217 H GLY 30 H GLY 30 18.186 -5.026 -17.226 218 1HA GLY 30 1HA GLY 30 17.720 -7.454 -18.686 219 2HA GLY 30 2HA GLY 30 16.923 -5.906 -18.890 220 H SER 31 H SER 31 17.061 -5.876 -21.181 221 HA SER 31 HA SER 31 19.745 -5.298 -22.112 222 1HB SER 31 1HB SER 31 19.514 -7.559 -22.835 223 2HB SER 31 2HB SER 31 17.829 -7.346 -23.268 224 HG SER 31 HG SER 31 18.508 -6.913 -25.243 225 H LEU 32 H LEU 32 19.616 -3.206 -22.837 226 HA LEU 32 HA LEU 32 18.958 -1.473 -24.056 227 1HB LEU 32 1HB LEU 32 18.090 -3.503 -25.579 228 2HB LEU 32 2HB LEU 32 16.543 -2.781 -25.183 229 HG LEU 32 HG LEU 32 17.359 -0.602 -26.067 230 1HD1 LEU 32 1HD1 LEU 32 19.567 -0.320 -26.189 231 2HD1 LEU 32 2HD1 LEU 32 19.883 -2.073 -26.181 232 3HD1 LEU 32 3HD1 LEU 32 19.485 -1.247 -27.706 233 1HD2 LEU 32 1HD2 LEU 32 17.782 -2.489 -28.325 234 2HD2 LEU 32 2HD2 LEU 32 16.261 -2.643 -27.412 235 3HD2 LEU 32 3HD2 LEU 32 16.688 -1.093 -28.176 236 H PHE 33 H PHE 33 15.798 -3.091 -23.280 237 HA PHE 33 HA PHE 33 15.308 -1.501 -21.032 238 1HB PHE 33 1HB PHE 33 13.586 0.000 -22.076 239 2HB PHE 33 2HB PHE 33 15.153 0.278 -22.809 240 HD1 PHE 33 1HD PHE 33 11.745 -0.484 -23.417 241 HD2 PHE 33 2HD PHE 33 15.644 -0.993 -25.013 242 HE1 PHE 33 1HE PHE 33 10.761 -0.917 -25.686 243 HE2 PHE 33 2HE PHE 33 14.659 -1.427 -27.281 244 HZ PHE 33 HZ PHE 33 12.230 -1.383 -27.590 245 H SER 34 H SER 34 14.723 -3.652 -20.321 246 HA SER 34 HA SER 34 12.025 -4.140 -20.454 247 1HB SER 34 1HB SER 34 12.184 -4.923 -22.701 248 2HB SER 34 2HB SER 34 13.691 -5.765 -22.398 249 HG SER 34 HG SER 34 12.042 -7.321 -22.469 250 H PHE 35 H PHE 35 11.990 -4.695 -18.294 251 HA PHE 35 HA PHE 35 13.608 -7.008 -17.537 252 1HB PHE 35 1HB PHE 35 13.975 -5.736 -15.328 253 2HB PHE 35 2HB PHE 35 14.798 -5.026 -16.703 254 HD1 PHE 35 1HD PHE 35 13.798 -3.004 -17.813 255 HD2 PHE 35 2HD PHE 35 12.327 -4.524 -14.133 256 HE1 PHE 35 1HE PHE 35 12.665 -0.811 -17.359 257 HE2 PHE 35 2HE PHE 35 11.194 -2.330 -13.680 258 HZ PHE 35 HZ PHE 35 11.377 -0.500 -15.299 259 H LEU 36 H LEU 36 11.065 -7.468 -18.249 260 HA LEU 36 HA LEU 36 9.096 -8.208 -17.578 261 1HB LEU 36 1HB LEU 36 9.260 -9.731 -15.981 262 2HB LEU 36 2HB LEU 36 10.936 -9.234 -15.858 263 HG LEU 36 HG LEU 36 10.256 -7.617 -14.053 264 1HD1 LEU 36 1HD1 LEU 36 7.837 -8.926 -13.248 265 2HD1 LEU 36 2HD1 LEU 36 8.125 -7.206 -13.603 266 3HD1 LEU 36 3HD1 LEU 36 7.648 -8.318 -14.909 267 1HD2 LEU 36 1HD2 LEU 36 11.300 -9.452 -13.169 268 2HD2 LEU 36 2HD2 LEU 36 9.703 -9.594 -12.395 269 3HD2 LEU 36 3HD2 LEU 36 10.096 -10.594 -13.815 270 H GLY 37 H GLY 37 7.475 -6.752 -17.715 271 1HA GLY 37 1HA GLY 37 6.889 -5.129 -15.371 272 2HA GLY 37 2HA GLY 37 7.288 -4.248 -16.833 273 H LYS 38 H LYS 38 5.523 -7.392 -16.461 274 HA LYS 38 HA LYS 38 2.989 -6.201 -16.926 275 1HB LYS 38 1HB LYS 38 3.984 -6.004 -19.198 276 2HB LYS 38 2HB LYS 38 4.201 -7.743 -19.239 277 1HG LYS 38 1HG LYS 38 1.958 -8.159 -19.562 278 2HG LYS 38 2HG LYS 38 1.453 -6.866 -18.492 279 1HD LYS 38 1HD LYS 38 2.716 -5.593 -20.715 280 2HD LYS 38 2HD LYS 38 1.694 -6.844 -21.394 281 1HE LYS 38 1HE LYS 38 -0.265 -5.979 -20.169 282 2HE LYS 38 2HE LYS 38 0.732 -4.806 -19.333 283 1HZ LYS 38 1HZ LYS 38 1.320 -4.196 -21.804 284 2HZ LYS 38 2HZ LYS 38 -0.173 -4.800 -22.072 285 3HZ LYS 38 3HZ LYS 38 0.029 -3.552 -21.039 286 H LYS 39 H LYS 39 2.117 -7.359 -15.253 287 HA LYS 39 HA LYS 39 1.525 -10.067 -15.701 288 1HB LYS 39 1HB LYS 39 4.037 -9.549 -14.337 289 2HB LYS 39 2HB LYS 39 2.926 -10.406 -13.288 290 1HG LYS 39 1HG LYS 39 2.491 -11.863 -15.507 291 2HG LYS 39 2HG LYS 39 4.082 -11.268 -15.939 292 1HD LYS 39 1HD LYS 39 5.123 -12.612 -14.416 293 2HD LYS 39 2HD LYS 39 3.991 -12.198 -13.145 294 1HE LYS 39 1HE LYS 39 3.574 -14.501 -13.473 295 2HE LYS 39 2HE LYS 39 2.300 -13.747 -14.412 296 1HZ LYS 39 1HZ LYS 39 4.212 -15.473 -15.323 297 2HZ LYS 39 2HZ LYS 39 3.126 -14.651 -16.225 298 3HZ LYS 39 3HZ LYS 39 4.615 -14.029 -15.971 299 H CYS 40 H CYS 40 2.217 -7.826 -12.917 300 HA CYS 40 HA CYS 40 -0.031 -8.623 -11.482 301 1HB CYS 40 1HB CYS 40 0.351 -6.466 -10.214 302 2HB CYS 40 2HB CYS 40 1.718 -7.560 -10.288 303 HG CYS 40 HG CYS 40 2.453 -5.007 -10.534 304 H VAL 41 H VAL 41 -2.179 -7.892 -11.512 305 HA VAL 41 HA VAL 41 -2.807 -6.014 -13.673 306 HB VAL 41 HB VAL 41 -5.148 -7.035 -13.263 307 1HG1 VAL 41 1HG1 VAL 41 -3.558 -9.212 -14.400 308 2HG1 VAL 41 2HG1 VAL 41 -4.760 -8.149 -15.170 309 3HG1 VAL 41 3HG1 VAL 41 -3.070 -7.613 -15.012 310 1HG2 VAL 41 1HG2 VAL 41 -4.358 -8.176 -11.118 311 2HG2 VAL 41 2HG2 VAL 41 -5.287 -9.175 -12.261 312 3HG2 VAL 41 3HG2 VAL 41 -3.517 -9.339 -12.171 313 H THR 42 H THR 42 -4.469 -4.372 -13.272 314 HA THR 42 HA THR 42 -4.283 -3.408 -10.520 315 HB THR 42 HB THR 42 -5.247 -2.093 -13.116 316 HG1 THR 42 1HG THR 42 -3.036 -1.081 -12.722 317 1HG2 THR 42 1HG2 THR 42 -4.631 0.011 -11.771 318 2HG2 THR 42 2HG2 THR 42 -6.112 -0.817 -11.230 319 3HG2 THR 42 3HG2 THR 42 -4.593 -1.026 -10.325 320 H MET 43 H MET 43 -6.202 -2.489 -9.453 321 HA MET 43 HA MET 43 -8.585 -3.960 -10.282 322 1HB MET 43 1HB MET 43 -7.062 -4.135 -7.848 323 2HB MET 43 2HB MET 43 -8.542 -3.296 -7.428 324 1HG MET 43 1HG MET 43 -9.907 -5.121 -8.375 325 2HG MET 43 2HG MET 43 -8.472 -5.932 -8.973 326 1HE MET 43 1HE MET 43 -9.769 -5.229 -4.691 327 2HE MET 43 2HE MET 43 -8.287 -4.325 -5.083 328 3HE MET 43 3HE MET 43 -9.759 -4.082 -6.052 329 H SER 44 H SER 44 -7.423 -1.189 -8.225 330 HA SER 44 HA SER 44 -9.625 0.339 -9.346 331 1HB SER 44 1HB SER 44 -10.435 1.050 -7.283 332 2HB SER 44 2HB SER 44 -9.970 -0.594 -6.897 333 HG SER 44 HG SER 44 -8.779 1.861 -6.113 334 H SER 45 H SER 45 -9.260 2.801 -8.878 335 HA SER 45 HA SER 45 -6.517 3.466 -8.396 336 1HB SER 45 1HB SER 45 -6.398 4.802 -10.575 337 2HB SER 45 2HB SER 45 -6.277 3.061 -10.738 338 HG SER 45 HG SER 45 -7.853 4.419 -12.168 339 H ALA 46 H ALA 46 -6.598 5.250 -7.084 340 HA ALA 46 HA ALA 46 -8.628 7.267 -7.660 341 1HB ALA 46 1HB ALA 46 -8.153 6.535 -4.793 342 2HB ALA 46 2HB ALA 46 -9.614 7.179 -5.579 343 3HB ALA 46 3HB ALA 46 -9.189 5.460 -5.764 344 H VAL 47 H VAL 47 -7.977 9.393 -7.105 345 HA VAL 47 HA VAL 47 -5.128 9.678 -6.887 346 HB VAL 47 HB VAL 47 -7.394 11.672 -7.076 347 1HG1 VAL 47 1HG1 VAL 47 -4.892 12.227 -6.125 348 2HG1 VAL 47 2HG1 VAL 47 -4.672 12.502 -7.870 349 3HG1 VAL 47 3HG1 VAL 47 -5.932 13.390 -6.980 350 1HG2 VAL 47 1HG2 VAL 47 -7.366 11.381 -9.292 351 2HG2 VAL 47 2HG2 VAL 47 -5.591 11.488 -9.354 352 3HG2 VAL 47 3HG2 VAL 47 -6.377 9.929 -9.008 353 H VAL 48 H VAL 48 -3.978 9.985 -5.046 354 HA VAL 48 HA VAL 48 -5.298 11.194 -2.769 355 HB VAL 48 HB VAL 48 -5.408 9.409 -1.448 356 1HG1 VAL 48 1HG1 VAL 48 -5.774 7.260 -2.561 357 2HG1 VAL 48 2HG1 VAL 48 -6.514 8.586 -3.490 358 3HG1 VAL 48 3HG1 VAL 48 -4.978 7.870 -4.032 359 1HG2 VAL 48 1HG2 VAL 48 -2.723 8.673 -2.603 360 2HG2 VAL 48 2HG2 VAL 48 -3.152 9.118 -0.935 361 3HG2 VAL 48 3HG2 VAL 48 -3.618 7.526 -1.578 362 H GLN 49 H GLN 49 -3.603 11.552 -0.961 363 HA GLN 49 HA GLN 49 -1.083 12.141 -2.305 364 1HB GLN 49 1HB GLN 49 -2.208 13.518 0.168 365 2HB GLN 49 2HB GLN 49 -0.822 14.022 -0.777 366 1HG GLN 49 1HG GLN 49 -2.117 14.942 -2.452 367 2HG GLN 49 2HG GLN 49 -3.343 13.694 -2.340 368 1HE2 GLN 49 1HE2 GLN 49 -5.155 14.048 -1.246 369 2HE2 GLN 49 2HE2 GLN 49 -5.518 15.451 -0.296 370 H LEU 50 H LEU 50 0.880 11.512 -1.336 371 HA LEU 50 HA LEU 50 0.552 9.582 0.824 372 1HB LEU 50 1HB LEU 50 1.691 9.034 -1.362 373 2HB LEU 50 2HB LEU 50 2.983 10.114 -0.879 374 HG LEU 50 HG LEU 50 3.687 7.906 -0.377 375 1HD1 LEU 50 1HD1 LEU 50 3.858 9.834 1.415 376 2HD1 LEU 50 2HD1 LEU 50 2.819 8.740 2.360 377 3HD1 LEU 50 3HD1 LEU 50 4.406 8.180 1.778 378 1HD2 LEU 50 1HD2 LEU 50 1.897 6.918 1.573 379 2HD2 LEU 50 2HD2 LEU 50 0.909 7.456 0.194 380 3HD2 LEU 50 3HD2 LEU 50 2.219 6.277 -0.055 381 H TYR 51 H TYR 51 1.009 10.109 2.888 382 HA TYR 51 HA TYR 51 2.927 12.293 3.311 383 1HB TYR 51 1HB TYR 51 0.080 11.778 4.261 384 2HB TYR 51 2HB TYR 51 1.172 12.538 5.402 385 HD1 TYR 51 1HD TYR 51 0.148 12.914 1.804 386 HD2 TYR 51 2HD TYR 51 1.195 14.855 5.470 387 HE1 TYR 51 1HE TYR 51 -0.311 15.179 0.745 388 HE2 TYR 51 2HE TYR 51 0.732 17.113 4.398 389 HH TYR 51 HH TYR 51 0.755 18.021 2.035 390 H ALA 52 H ALA 52 4.133 12.174 5.299 391 HA ALA 52 HA ALA 52 3.903 9.573 6.646 392 1HB ALA 52 1HB ALA 52 6.523 10.998 6.087 393 2HB ALA 52 2HB ALA 52 6.268 9.316 6.613 394 3HB ALA 52 3HB ALA 52 5.830 9.808 4.959 395 H ALA 53 H ALA 53 3.980 9.643 8.881 396 HA ALA 53 HA ALA 53 3.638 12.204 10.072 397 1HB ALA 53 1HB ALA 53 3.961 9.428 11.282 398 2HB ALA 53 2HB ALA 53 3.383 10.877 12.139 399 3HB ALA 53 3HB ALA 53 2.422 10.188 10.808 400 H ASP 54 H ASP 54 5.599 13.357 9.615 401 HA ASP 54 HA ASP 54 8.103 12.588 9.827 402 1HB ASP 54 1HB ASP 54 6.651 15.076 10.189 403 2HB ASP 54 2HB ASP 54 7.985 15.038 11.324 404 H ARG 55 H ARG 55 9.774 12.848 11.655 405 HA ARG 55 HA ARG 55 8.823 11.495 13.932 406 1HB ARG 55 1HB ARG 55 11.349 12.017 12.680 407 2HB ARG 55 2HB ARG 55 11.480 12.637 14.314 408 1HG ARG 55 1HG ARG 55 11.024 10.515 15.297 409 2HG ARG 55 2HG ARG 55 10.290 9.887 13.834 410 1HD ARG 55 1HD ARG 55 12.418 9.662 12.728 411 2HD ARG 55 2HD ARG 55 13.230 10.682 13.900 412 HE ARG 55 HE ARG 55 12.652 7.841 14.182 413 1HH1 ARG 55 2HH2 ARG 55 13.158 10.824 15.979 414 2HH1 ARG 55 1HH2 ARG 55 13.672 10.017 17.422 415 1HH2 ARG 55 2HH1 ARG 55 13.330 6.776 16.085 416 2HH2 ARG 55 1HH1 ARG 55 13.771 7.698 17.483 417 H ASN 56 H ASN 56 7.240 13.630 14.065 418 HA ASN 56 HA ASN 56 7.838 14.797 16.475 419 1HB ASN 56 1HB ASN 56 9.285 16.078 14.443 420 2HB ASN 56 2HB ASN 56 7.857 17.085 14.578 421 1HD2 ASN 56 1HD2 ASN 56 7.609 18.426 16.247 422 2HD2 ASN 56 2HD2 ASN 56 8.696 18.590 17.585 423 H CYS 57 H CYS 57 5.663 13.489 15.081 424 HA CYS 57 HA CYS 57 3.559 13.698 14.419 425 1HB CYS 57 1HB CYS 57 3.073 13.902 16.698 426 2HB CYS 57 2HB CYS 57 3.758 15.512 16.815 427 HG CYS 57 HG CYS 57 1.324 14.918 14.698 428 H MET 58 H MET 58 3.860 14.527 12.264 429 HA MET 58 HA MET 58 2.580 16.886 11.725 430 1HB MET 58 1HB MET 58 5.299 17.298 12.559 431 2HB MET 58 2HB MET 58 5.290 17.543 10.824 432 1HG MET 58 1HG MET 58 3.353 18.907 12.756 433 2HG MET 58 2HG MET 58 4.817 19.649 12.144 434 1HE MET 58 1HE MET 58 4.827 20.948 9.668 435 2HE MET 58 2HE MET 58 5.392 19.262 9.594 436 3HE MET 58 3HE MET 58 4.261 19.876 8.365 437 H TRP 59 H TRP 59 1.677 15.288 10.254 438 HA TRP 59 HA TRP 59 2.873 13.665 8.520 439 1HB TRP 59 1HB TRP 59 0.664 15.473 7.572 440 2HB TRP 59 2HB TRP 59 0.976 13.803 7.144 441 HD1 TRP 59 HD TRP 59 -0.736 15.903 9.837 442 HE1 TRP 59 1HE TRP 59 -2.138 14.409 11.499 443 HE3 TRP 59 3HE TRP 59 1.025 11.445 8.142 444 HZ2 TRP 59 2HZ TRP 59 -2.348 11.592 11.910 445 HZ3 TRP 59 3HZ TRP 59 0.170 9.370 9.228 446 HH2 TRP 59 HH TRP 59 -1.459 9.395 11.050 447 H SER 60 H SER 60 3.724 13.827 6.326 448 HA SER 60 HA SER 60 4.361 16.505 5.460 449 1HB SER 60 1HB SER 60 6.744 16.013 5.171 450 2HB SER 60 2HB SER 60 6.297 15.794 6.851 451 HG SER 60 HG SER 60 6.671 13.723 4.862 452 H LYS 61 H LYS 61 4.122 16.669 3.240 453 HA LYS 61 HA LYS 61 3.275 14.356 1.822 454 1HB LYS 61 1HB LYS 61 2.281 16.541 1.415 455 2HB LYS 61 2HB LYS 61 3.830 17.200 0.929 456 1HG LYS 61 1HG LYS 61 2.990 14.725 -0.523 457 2HG LYS 61 2HG LYS 61 1.993 16.136 -0.818 458 1HD LYS 61 1HD LYS 61 4.965 16.563 -0.892 459 2HD LYS 61 2HD LYS 61 4.281 15.621 -2.202 460 1HE LYS 61 1HE LYS 61 3.066 17.414 -3.057 461 2HE LYS 61 2HE LYS 61 2.826 18.148 -1.484 462 1HZ LYS 61 1HZ LYS 61 5.307 18.569 -1.572 463 2HZ LYS 61 2HZ LYS 61 5.209 18.251 -3.171 464 3HZ LYS 61 3HZ LYS 61 4.359 19.490 -2.531 465 H LYS 62 H LYS 62 4.381 13.047 0.407 466 HA LYS 62 HA LYS 62 7.253 13.607 0.214 467 1HB LYS 62 1HB LYS 62 5.868 11.325 1.074 468 2HB LYS 62 2HB LYS 62 6.440 10.915 -0.531 469 1HG LYS 62 1HG LYS 62 8.608 10.807 0.158 470 2HG LYS 62 2HG LYS 62 8.506 12.348 0.985 471 1HD LYS 62 1HD LYS 62 6.995 10.197 2.355 472 2HD LYS 62 2HD LYS 62 8.708 9.852 2.220 473 1HE LYS 62 1HE LYS 62 7.930 12.627 3.096 474 2HE LYS 62 2HE LYS 62 7.691 11.327 4.247 475 1HZ LYS 62 1HZ LYS 62 10.120 10.777 3.389 476 2HZ LYS 62 2HZ LYS 62 10.145 12.399 3.206 477 3HZ LYS 62 3HZ LYS 62 9.829 11.748 4.669 478 H CYS 63 H CYS 63 4.244 12.909 -1.576 479 HA CYS 63 HA CYS 63 4.774 14.292 -3.774 480 1HB CYS 63 1HB CYS 63 6.528 11.952 -3.780 481 2HB CYS 63 2HB CYS 63 5.502 12.006 -5.199 482 HG CYS 63 HG CYS 63 6.904 14.744 -4.045 483 H SER 64 H SER 64 2.482 14.385 -3.643 484 HA SER 64 HA SER 64 0.936 12.050 -3.493 485 1HB SER 64 1HB SER 64 -0.908 13.788 -4.266 486 2HB SER 64 2HB SER 64 -0.202 13.900 -2.666 487 HG SER 64 HG SER 64 0.484 15.852 -3.178 488 H GLY 65 H GLY 65 -1.058 12.089 -5.342 489 1HA GLY 65 1HA GLY 65 -0.839 12.669 -7.914 490 2HA GLY 65 2HA GLY 65 0.350 11.386 -7.800 491 H VAL 66 H VAL 66 -0.995 10.073 -9.235 492 HA VAL 66 HA VAL 66 -3.572 9.268 -8.169 493 HB VAL 66 HB VAL 66 -2.184 8.332 -10.680 494 1HG1 VAL 66 1HG1 VAL 66 -4.181 7.065 -9.840 495 2HG1 VAL 66 2HG1 VAL 66 -5.141 8.550 -10.036 496 3HG1 VAL 66 3HG1 VAL 66 -4.392 7.781 -11.456 497 1HG2 VAL 66 1HG2 VAL 66 -2.398 10.356 -11.588 498 2HG2 VAL 66 2HG2 VAL 66 -4.150 10.307 -11.279 499 3HG2 VAL 66 3HG2 VAL 66 -3.051 10.991 -10.059 500 H ALA 67 H ALA 67 -3.893 7.451 -6.979 501 HA ALA 67 HA ALA 67 -1.665 5.531 -6.920 502 1HB ALA 67 1HB ALA 67 -2.437 7.077 -4.845 503 2HB ALA 67 2HB ALA 67 -3.582 5.731 -4.636 504 3HB ALA 67 3HB ALA 67 -1.829 5.418 -4.635 505 H CYS 68 H CYS 68 -2.151 3.363 -7.227 506 HA CYS 68 HA CYS 68 -4.983 2.688 -7.393 507 1HB CYS 68 1HB CYS 68 -4.633 1.455 -9.489 508 2HB CYS 68 2HB CYS 68 -4.326 3.169 -9.691 509 HG CYS 68 HG CYS 68 -2.629 1.364 -10.955 510 H LEU 69 H LEU 69 -5.369 0.387 -6.978 511 HA LEU 69 HA LEU 69 -3.131 -0.819 -5.534 512 1HB LEU 69 1HB LEU 69 -5.379 -0.327 -4.451 513 2HB LEU 69 2HB LEU 69 -6.036 -1.616 -5.440 514 HG LEU 69 HG LEU 69 -3.661 -2.524 -4.044 515 1HD1 LEU 69 1HD1 LEU 69 -4.195 -0.837 -2.386 516 2HD1 LEU 69 2HD1 LEU 69 -5.884 -1.396 -2.320 517 3HD1 LEU 69 3HD1 LEU 69 -4.573 -2.457 -1.753 518 1HD2 LEU 69 1HD2 LEU 69 -6.396 -3.549 -3.436 519 2HD2 LEU 69 2HD2 LEU 69 -5.787 -3.712 -5.100 520 3HD2 LEU 69 3HD2 LEU 69 -4.879 -4.427 -3.746 521 H VAL 70 H VAL 70 -1.907 -2.180 -6.723 522 HA VAL 70 HA VAL 70 -3.266 -3.693 -8.831 523 HB VAL 70 HB VAL 70 -0.348 -3.047 -8.371 524 1HG1 VAL 70 1HG1 VAL 70 -1.125 -5.286 -9.578 525 2HG1 VAL 70 2HG1 VAL 70 -1.360 -4.176 -10.950 526 3HG1 VAL 70 3HG1 VAL 70 0.241 -4.320 -10.185 527 1HG2 VAL 70 1HG2 VAL 70 -0.866 -1.876 -10.700 528 2HG2 VAL 70 2HG2 VAL 70 -2.514 -1.819 -10.031 529 3HG2 VAL 70 3HG2 VAL 70 -1.170 -1.052 -9.152 530 H LYS 71 H LYS 71 -3.157 -5.961 -8.898 531 HA LYS 71 HA LYS 71 -1.996 -7.176 -6.489 532 1HB LYS 71 1HB LYS 71 -3.830 -8.696 -6.368 533 2HB LYS 71 2HB LYS 71 -4.493 -7.077 -6.468 534 1HG LYS 71 1HG LYS 71 -4.785 -7.400 -8.965 535 2HG LYS 71 2HG LYS 71 -4.229 -9.052 -8.784 536 1HD LYS 71 1HD LYS 71 -6.363 -8.403 -6.859 537 2HD LYS 71 2HD LYS 71 -6.881 -8.142 -8.513 538 1HE LYS 71 1HE LYS 71 -5.491 -10.588 -8.638 539 2HE LYS 71 2HE LYS 71 -6.337 -10.675 -7.105 540 1HZ LYS 71 1HZ LYS 71 -8.098 -11.190 -8.304 541 2HZ LYS 71 2HZ LYS 71 -8.157 -9.646 -8.829 542 3HZ LYS 71 3HZ LYS 71 -7.393 -10.783 -9.719 543 H ASP 72 H ASP 72 -0.517 -8.768 -6.826 544 HA ASP 72 HA ASP 72 -0.170 -9.545 -9.604 545 1HB ASP 72 1HB ASP 72 1.701 -8.469 -8.089 546 2HB ASP 72 2HB ASP 72 1.808 -10.059 -7.357 547 H ASN 73 H ASN 73 -1.637 -11.346 -9.717 548 HA ASN 73 HA ASN 73 -2.308 -13.395 -9.495 549 1HB ASN 73 1HB ASN 73 0.519 -13.543 -8.719 550 2HB ASN 73 2HB ASN 73 -0.410 -14.740 -7.839 551 1HD2 ASN 73 1HD2 ASN 73 -0.562 -13.324 -11.108 552 2HD2 ASN 73 2HD2 ASN 73 -0.567 -14.813 -11.993 553 HA PRO 74 HA PRO 74 -4.129 -13.392 -5.497 554 1HB PRO 74 1HB PRO 74 -5.651 -15.657 -5.652 555 2HB PRO 74 2HB PRO 74 -6.148 -14.120 -6.330 556 1HG PRO 74 1HG PRO 74 -5.136 -16.521 -7.726 557 2HG PRO 74 2HG PRO 74 -6.023 -15.161 -8.385 558 1HD PRO 74 1HD PRO 74 -3.209 -15.657 -8.633 559 2HD PRO 74 2HD PRO 74 -4.077 -14.240 -9.190 560 H GLN 75 H GLN 75 -1.771 -15.464 -6.445 561 HA GLN 75 HA GLN 75 -1.844 -16.843 -3.890 562 1HB GLN 75 1HB GLN 75 -0.959 -17.543 -6.593 563 2HB GLN 75 2HB GLN 75 0.309 -17.843 -5.424 564 1HG GLN 75 1HG GLN 75 -2.221 -18.737 -4.312 565 2HG GLN 75 2HG GLN 75 -2.035 -19.418 -5.916 566 1HE2 GLN 75 1HE2 GLN 75 -0.398 -18.932 -2.819 567 2HE2 GLN 75 2HE2 GLN 75 0.585 -20.358 -2.852 568 H ARG 76 H ARG 76 0.655 -15.383 -6.108 569 HA ARG 76 HA ARG 76 2.673 -15.205 -4.388 570 1HB ARG 76 1HB ARG 76 1.742 -13.485 -6.676 571 2HB ARG 76 2HB ARG 76 3.025 -12.828 -5.681 572 1HG ARG 76 1HG ARG 76 3.992 -15.357 -6.010 573 2HG ARG 76 2HG ARG 76 3.056 -15.226 -7.486 574 1HD ARG 76 1HD ARG 76 4.736 -14.014 -8.414 575 2HD ARG 76 2HD ARG 76 4.443 -12.744 -7.241 576 HE ARG 76 HE ARG 76 5.950 -14.597 -5.823 577 1HH1 ARG 76 2HH2 ARG 76 6.392 -12.874 -8.859 578 2HH1 ARG 76 1HH2 ARG 76 8.121 -12.855 -8.743 579 1HH2 ARG 76 2HH1 ARG 76 8.230 -14.572 -5.670 580 2HH2 ARG 76 1HH1 ARG 76 9.173 -13.827 -6.917 581 H SER 77 H SER 77 0.864 -12.151 -5.123 582 HA SER 77 HA SER 77 -0.157 -11.652 -2.668 583 1HB SER 77 1HB SER 77 2.642 -11.587 -2.453 584 2HB SER 77 2HB SER 77 2.207 -9.896 -2.590 585 HG SER 77 HG SER 77 1.277 -9.933 -0.643 586 H TYR 78 H TYR 78 0.117 -8.890 -2.344 587 HA TYR 78 HA TYR 78 -0.544 -7.888 -5.032 588 1HB TYR 78 1HB TYR 78 -1.493 -6.918 -2.272 589 2HB TYR 78 2HB TYR 78 -2.197 -6.490 -3.819 590 HD1 TYR 78 1HD TYR 78 -1.602 -9.450 -1.604 591 HD2 TYR 78 2HD TYR 78 -4.059 -7.663 -4.615 592 HE1 TYR 78 1HE TYR 78 -3.277 -11.349 -1.375 593 HE2 TYR 78 2HE TYR 78 -5.726 -9.567 -4.376 594 HH TYR 78 HH TYR 78 -5.964 -11.450 -1.886 595 H PHE 79 H PHE 79 -0.162 -5.523 -5.344 596 HA PHE 79 HA PHE 79 1.709 -4.332 -3.491 597 1HB PHE 79 1HB PHE 79 2.314 -4.747 -6.477 598 2HB PHE 79 2HB PHE 79 3.398 -4.034 -5.300 599 HD1 PHE 79 1HD PHE 79 1.630 -7.217 -6.071 600 HD2 PHE 79 2HD PHE 79 4.963 -5.367 -4.208 601 HE1 PHE 79 1HE PHE 79 2.635 -9.474 -5.628 602 HE2 PHE 79 2HE PHE 79 5.968 -7.624 -3.764 603 HZ PHE 79 HZ PHE 79 4.791 -9.650 -4.480 604 H LEU 80 H LEU 80 1.291 -2.172 -3.328 605 HA LEU 80 HA LEU 80 -0.179 -0.965 -5.569 606 1HB LEU 80 1HB LEU 80 -1.740 -0.207 -4.199 607 2HB LEU 80 2HB LEU 80 -1.146 -1.399 -3.059 608 HG LEU 80 HG LEU 80 0.514 0.742 -2.557 609 1HD1 LEU 80 1HD1 LEU 80 -0.389 2.539 -3.551 610 2HD1 LEU 80 2HD1 LEU 80 -1.972 1.755 -3.772 611 3HD1 LEU 80 3HD1 LEU 80 -1.551 2.483 -2.204 612 1HD2 LEU 80 1HD2 LEU 80 -0.492 -0.654 -0.865 613 2HD2 LEU 80 2HD2 LEU 80 -0.857 1.053 -0.518 614 3HD2 LEU 80 3HD2 LEU 80 -2.105 0.001 -1.229 615 H ARG 81 H ARG 81 0.438 1.126 -6.234 616 HA ARG 81 HA ARG 81 2.642 2.302 -4.803 617 1HB ARG 81 1HB ARG 81 2.962 2.166 -7.795 618 2HB ARG 81 2HB ARG 81 4.197 2.231 -6.554 619 1HG ARG 81 1HG ARG 81 3.812 -0.115 -5.952 620 2HG ARG 81 2HG ARG 81 2.418 -0.207 -7.011 621 1HD ARG 81 1HD ARG 81 3.725 -0.651 -8.821 622 2HD ARG 81 2HD ARG 81 4.740 0.743 -8.510 623 HE ARG 81 HE ARG 81 6.289 -0.641 -7.416 624 1HH1 ARG 81 2HH2 ARG 81 3.253 -2.372 -7.827 625 2HH1 ARG 81 1HH2 ARG 81 3.902 -3.892 -7.311 626 1HH2 ARG 81 2HH1 ARG 81 7.148 -2.647 -6.737 627 2HH2 ARG 81 1HH1 ARG 81 6.132 -4.050 -6.688 628 H ILE 82 H ILE 82 3.050 4.602 -5.554 629 HA ILE 82 HA ILE 82 0.591 5.704 -6.720 630 HB ILE 82 HB ILE 82 2.469 6.677 -4.596 631 1HG1 ILE 82 1HG1 ILE 82 -0.489 7.010 -4.493 632 2HG1 ILE 82 2HG1 ILE 82 0.121 5.369 -4.407 633 1HG2 ILE 82 1HG2 ILE 82 2.319 8.490 -6.254 634 2HG2 ILE 82 2HG2 ILE 82 0.543 8.431 -6.148 635 3HG2 ILE 82 3HG2 ILE 82 1.504 8.904 -4.726 636 1HD1 ILE 82 1HD1 ILE 82 0.477 5.752 -2.198 637 2HD1 ILE 82 2HD1 ILE 82 1.840 6.782 -2.696 638 3HD1 ILE 82 3HD1 ILE 82 0.241 7.506 -2.395 639 H PHE 83 H PHE 83 0.735 7.232 -8.399 640 HA PHE 83 HA PHE 83 3.438 7.523 -9.508 641 1HB PHE 83 1HB PHE 83 1.599 7.761 -11.616 642 2HB PHE 83 2HB PHE 83 2.498 6.302 -11.247 643 HD1 PHE 83 1HD PHE 83 1.338 4.942 -9.168 644 HD2 PHE 83 2HD PHE 83 -0.654 7.463 -11.941 645 HE1 PHE 83 1HE PHE 83 -0.814 3.727 -8.727 646 HE2 PHE 83 2HE PHE 83 -2.805 6.249 -11.500 647 HZ PHE 83 HZ PHE 83 -2.860 4.396 -9.897 648 H ASP 84 H ASP 84 3.877 9.521 -10.646 649 HA ASP 84 HA ASP 84 2.484 11.690 -9.468 650 1HB ASP 84 1HB ASP 84 5.019 11.470 -10.099 651 2HB ASP 84 2HB ASP 84 4.513 11.874 -11.727 652 H ILE 85 H ILE 85 1.569 13.526 -10.851 653 HA ILE 85 HA ILE 85 0.290 12.407 -13.238 654 HB ILE 85 HB ILE 85 -1.275 13.014 -11.546 655 1HG1 ILE 85 1HG1 ILE 85 -1.435 15.317 -13.476 656 2HG1 ILE 85 2HG1 ILE 85 -1.587 13.670 -14.055 657 1HG2 ILE 85 1HG2 ILE 85 -1.437 15.418 -10.775 658 2HG2 ILE 85 2HG2 ILE 85 -0.064 14.482 -10.138 659 3HG2 ILE 85 3HG2 ILE 85 0.192 15.655 -11.452 660 1HD1 ILE 85 1HD1 ILE 85 -3.704 15.111 -13.164 661 2HD1 ILE 85 2HD1 ILE 85 -3.625 13.338 -13.025 662 3HD1 ILE 85 3HD1 ILE 85 -3.203 14.361 -11.630 663 H LYS 86 H LYS 86 2.857 14.370 -12.231 664 HA LYS 86 HA LYS 86 2.666 15.968 -14.688 665 1HB LYS 86 1HB LYS 86 3.369 16.643 -11.938 666 2HB LYS 86 2HB LYS 86 4.634 17.100 -13.061 667 1HG LYS 86 1HG LYS 86 2.448 17.940 -14.477 668 2HG LYS 86 2HG LYS 86 1.823 18.113 -12.849 669 1HD LYS 86 1HD LYS 86 4.450 19.172 -12.725 670 2HD LYS 86 2HD LYS 86 3.812 19.747 -14.252 671 1HE LYS 86 1HE LYS 86 3.016 21.416 -12.830 672 2HE LYS 86 2HE LYS 86 1.649 20.320 -12.802 673 1HZ LYS 86 1HZ LYS 86 3.821 20.122 -10.846 674 2HZ LYS 86 2HZ LYS 86 2.523 21.084 -10.606 675 3HZ LYS 86 3HZ LYS 86 2.325 19.470 -10.757 676 H ASP 87 H ASP 87 4.745 13.904 -12.599 677 HA ASP 87 HA ASP 87 6.758 13.939 -14.663 678 1HB ASP 87 1HB ASP 87 7.396 14.112 -12.246 679 2HB ASP 87 2HB ASP 87 6.672 12.544 -11.946 680 H GLY 88 H GLY 88 3.954 12.195 -13.684 681 1HA GLY 88 1HA GLY 88 3.135 10.131 -14.097 682 2HA GLY 88 2HA GLY 88 3.879 10.355 -15.668 683 H LYS 89 H LYS 89 5.308 9.875 -12.360 684 HA LYS 89 HA LYS 89 6.424 7.350 -13.316 685 1HB LYS 89 1HB LYS 89 7.949 9.782 -12.468 686 2HB LYS 89 2HB LYS 89 8.564 8.212 -11.989 687 1HG LYS 89 1HG LYS 89 8.087 7.605 -14.559 688 2HG LYS 89 2HG LYS 89 8.204 9.342 -14.767 689 1HD LYS 89 1HD LYS 89 10.361 8.210 -13.070 690 2HD LYS 89 2HD LYS 89 10.359 7.580 -14.705 691 1HE LYS 89 1HE LYS 89 9.911 10.367 -15.003 692 2HE LYS 89 2HE LYS 89 11.132 10.242 -13.752 693 1HZ LYS 89 1HZ LYS 89 12.407 10.122 -15.589 694 2HZ LYS 89 2HZ LYS 89 12.109 8.523 -15.431 695 3HZ LYS 89 3HZ LYS 89 11.270 9.407 -16.519 696 H LEU 90 H LEU 90 7.576 6.248 -11.283 697 HA LEU 90 HA LEU 90 5.505 5.979 -9.363 698 1HB LEU 90 1HB LEU 90 7.701 4.493 -10.288 699 2HB LEU 90 2HB LEU 90 8.019 4.790 -8.590 700 HG LEU 90 HG LEU 90 5.431 4.006 -8.431 701 1HD1 LEU 90 1HD1 LEU 90 5.781 3.577 -11.053 702 2HD1 LEU 90 2HD1 LEU 90 6.361 2.014 -10.430 703 3HD1 LEU 90 3HD1 LEU 90 4.718 2.575 -10.034 704 1HD2 LEU 90 1HD2 LEU 90 6.320 1.752 -7.831 705 2HD2 LEU 90 2HD2 LEU 90 7.910 2.265 -8.448 706 3HD2 LEU 90 3HD2 LEU 90 7.180 3.107 -7.059 707 H LEU 91 H LEU 91 5.210 7.008 -7.448 708 HA LEU 91 HA LEU 91 7.422 8.728 -6.566 709 1HB LEU 91 1HB LEU 91 4.433 9.088 -6.444 710 2HB LEU 91 2HB LEU 91 5.531 10.019 -5.444 711 HG LEU 91 HG LEU 91 5.694 9.953 -8.466 712 1HD1 LEU 91 1HD1 LEU 91 3.556 10.858 -8.023 713 2HD1 LEU 91 2HD1 LEU 91 4.156 11.813 -6.648 714 3HD1 LEU 91 3HD1 LEU 91 4.630 12.248 -8.307 715 1HD2 LEU 91 1HD2 LEU 91 6.743 12.339 -7.596 716 2HD2 LEU 91 2HD2 LEU 91 7.273 11.201 -6.334 717 3HD2 LEU 91 3HD2 LEU 91 7.677 10.890 -8.040 718 H TRP 92 H TRP 92 5.317 6.037 -5.853 719 HA TRP 92 HA TRP 92 6.750 5.531 -3.444 720 1HB TRP 92 1HB TRP 92 5.242 7.157 -2.515 721 2HB TRP 92 2HB TRP 92 3.856 6.375 -3.251 722 HD1 TRP 92 HD TRP 92 6.467 5.690 -0.450 723 HE1 TRP 92 1HE TRP 92 5.490 4.031 1.354 724 HE3 TRP 92 3HE TRP 92 2.137 4.712 -2.930 725 HZ2 TRP 92 2HZ TRP 92 3.071 2.528 1.536 726 HZ3 TRP 92 3HZ TRP 92 0.522 3.138 -1.870 727 HH2 TRP 92 HH TRP 92 0.931 2.060 0.285 728 H GLU 93 H GLU 93 6.451 3.309 -2.816 729 HA GLU 93 HA GLU 93 4.482 1.820 -4.295 730 1HB GLU 93 1HB GLU 93 6.173 0.170 -5.111 731 2HB GLU 93 2HB GLU 93 6.372 1.752 -5.836 732 1HG GLU 93 1HG GLU 93 7.902 1.548 -3.341 733 2HG GLU 93 2HG GLU 93 8.337 0.259 -4.446 734 H GLN 94 H GLN 94 3.680 0.108 -3.086 735 HA GLN 94 HA GLN 94 5.251 -0.601 -0.736 736 1HB GLN 94 1HB GLN 94 3.091 0.937 -0.449 737 2HB GLN 94 2HB GLN 94 2.235 -0.584 -0.606 738 1HG GLN 94 1HG GLN 94 4.576 -0.391 1.309 739 2HG GLN 94 2HG GLN 94 3.022 0.264 1.786 740 1HE2 GLN 94 1HE2 GLN 94 4.957 -2.454 1.622 741 2HE2 GLN 94 2HE2 GLN 94 3.791 -3.692 1.950 742 H GLU 95 H GLU 95 5.375 -2.810 -0.282 743 HA GLU 95 HA GLU 95 4.111 -4.487 -2.282 744 1HB GLU 95 1HB GLU 95 6.439 -4.970 -0.376 745 2HB GLU 95 2HB GLU 95 5.764 -6.225 -1.396 746 1HG GLU 95 1HG GLU 95 6.770 -5.405 -3.278 747 2HG GLU 95 2HG GLU 95 6.328 -3.751 -2.904 748 H LEU 96 H LEU 96 1.968 -4.495 -1.340 749 HA LEU 96 HA LEU 96 1.209 -4.854 1.191 750 1HB LEU 96 1HB LEU 96 0.066 -6.277 -1.218 751 2HB LEU 96 2HB LEU 96 -0.749 -6.067 0.320 752 HG LEU 96 HG LEU 96 0.169 -3.753 -1.403 753 1HD1 LEU 96 1HD1 LEU 96 -1.392 -4.846 -2.773 754 2HD1 LEU 96 2HD1 LEU 96 -2.442 -5.263 -1.399 755 3HD1 LEU 96 3HD1 LEU 96 -2.322 -3.574 -1.945 756 1HD2 LEU 96 1HD2 LEU 96 -1.979 -3.692 0.705 757 2HD2 LEU 96 2HD2 LEU 96 -0.262 -3.487 1.125 758 3HD2 LEU 96 3HD2 LEU 96 -1.046 -2.349 0.003 759 H TYR 97 H TYR 97 2.110 -6.091 2.752 760 HA TYR 97 HA TYR 97 2.641 -8.900 2.046 761 1HB TYR 97 1HB TYR 97 4.288 -8.466 4.127 762 2HB TYR 97 2HB TYR 97 4.770 -7.923 2.532 763 HD1 TYR 97 1HD TYR 97 2.747 -6.628 5.427 764 HD2 TYR 97 2HD TYR 97 5.632 -5.779 2.383 765 HE1 TYR 97 1HE TYR 97 2.979 -4.252 6.299 766 HE2 TYR 97 2HE TYR 97 5.854 -3.406 3.267 767 HH TYR 97 HH TYR 97 5.245 -2.437 5.999 768 H ASN 98 H ASN 98 2.505 -10.422 3.942 769 HA ASN 98 HA ASN 98 1.232 -11.367 5.432 770 1HB ASN 98 1HB ASN 98 2.566 -9.325 6.695 771 2HB ASN 98 2HB ASN 98 0.917 -8.867 7.074 772 1HD2 ASN 98 1HD2 ASN 98 1.480 -9.282 9.267 773 2HD2 ASN 98 2HD2 ASN 98 1.447 -10.887 9.917 774 H ASN 99 H ASN 99 -0.851 -10.500 7.170 775 HA ASN 99 HA ASN 99 -2.915 -10.098 5.269 776 1HB ASN 99 1HB ASN 99 -4.408 -10.250 7.305 777 2HB ASN 99 2HB ASN 99 -3.295 -11.598 7.179 778 1HD2 ASN 99 1HD2 ASN 99 -4.331 -11.231 9.551 779 2HD2 ASN 99 2HD2 ASN 99 -3.225 -10.531 10.686 780 H PHE 100 H PHE 100 -1.300 -7.850 5.103 781 HA PHE 100 HA PHE 100 -1.362 -5.768 6.680 782 1HB PHE 100 1HB PHE 100 -0.696 -5.962 4.194 783 2HB PHE 100 2HB PHE 100 -2.384 -5.744 3.777 784 HD1 PHE 100 1HD PHE 100 0.597 -4.092 5.151 785 HD2 PHE 100 2HD PHE 100 -3.416 -3.576 3.871 786 HE1 PHE 100 1HE PHE 100 0.918 -1.603 5.147 787 HE2 PHE 100 2HE PHE 100 -3.095 -1.087 3.867 788 HZ PHE 100 HZ PHE 100 -0.932 -0.130 4.506 789 H VAL 101 H VAL 101 -2.734 -4.136 7.462 790 HA VAL 101 HA VAL 101 -5.588 -4.590 6.922 791 HB VAL 101 HB VAL 101 -5.051 -5.322 9.140 792 1HG1 VAL 101 1HG1 VAL 101 -3.036 -4.362 9.769 793 2HG1 VAL 101 2HG1 VAL 101 -3.547 -2.722 9.303 794 3HG1 VAL 101 3HG1 VAL 101 -4.195 -3.470 10.783 795 1HG2 VAL 101 1HG2 VAL 101 -6.697 -4.172 10.310 796 2HG2 VAL 101 2HG2 VAL 101 -6.243 -2.599 9.615 797 3HG2 VAL 101 3HG2 VAL 101 -7.105 -3.796 8.620 798 H TYR 102 H TYR 102 -6.949 -2.621 7.055 799 HA TYR 102 HA TYR 102 -5.370 -0.224 6.402 800 1HB TYR 102 1HB TYR 102 -7.096 -1.756 4.807 801 2HB TYR 102 2HB TYR 102 -8.212 -0.579 5.470 802 HD1 TYR 102 1HD TYR 102 -4.636 0.000 4.579 803 HD2 TYR 102 2HD TYR 102 -8.730 0.713 3.562 804 HE1 TYR 102 1HE TYR 102 -3.913 1.687 2.818 805 HE2 TYR 102 2HE TYR 102 -7.994 2.396 1.805 806 HH TYR 102 HH TYR 102 -6.335 3.351 0.815 807 H ASN 103 H ASN 103 -5.806 1.611 7.557 808 HA ASN 103 HA ASN 103 -8.081 1.408 9.366 809 1HB ASN 103 1HB ASN 103 -5.336 2.673 9.593 810 2HB ASN 103 2HB ASN 103 -6.652 3.389 10.503 811 1HD2 ASN 103 1HD2 ASN 103 -4.734 2.499 11.992 812 2HD2 ASN 103 2HD2 ASN 103 -5.084 0.993 12.774 813 H SER 104 H SER 104 -9.295 3.483 9.742 814 HA SER 104 HA SER 104 -8.690 5.689 8.062 815 1HB SER 104 1HB SER 104 -9.813 4.494 6.336 816 2HB SER 104 2HB SER 104 -11.022 3.856 7.433 817 HG SER 104 HG SER 104 -11.986 5.926 7.596 818 HA PRO 105 HA PRO 105 -10.900 6.596 11.910 819 1HB PRO 105 1HB PRO 105 -9.134 8.430 12.903 820 2HB PRO 105 2HB PRO 105 -9.078 6.726 13.312 821 1HG PRO 105 1HG PRO 105 -7.316 8.257 11.497 822 2HG PRO 105 2HG PRO 105 -7.035 6.695 12.241 823 1HD PRO 105 1HD PRO 105 -7.782 7.189 9.515 824 2HD PRO 105 2HD PRO 105 -7.614 5.626 10.289 825 H ARG 106 H ARG 106 -9.885 8.340 9.213 826 HA ARG 106 HA ARG 106 -11.615 10.525 10.033 827 1HB ARG 106 1HB ARG 106 -9.051 10.594 8.958 828 2HB ARG 106 2HB ARG 106 -10.032 10.827 7.525 829 1HG ARG 106 1HG ARG 106 -9.746 13.035 8.295 830 2HG ARG 106 2HG ARG 106 -11.320 12.618 8.942 831 1HD ARG 106 1HD ARG 106 -9.593 11.714 10.946 832 2HD ARG 106 2HD ARG 106 -8.783 13.160 10.376 833 HE ARG 106 HE ARG 106 -11.324 13.039 11.815 834 1HH1 ARG 106 2HH2 ARG 106 -9.384 14.957 9.591 835 2HH1 ARG 106 1HH2 ARG 106 -10.160 16.450 10.001 836 1HH2 ARG 106 2HH1 ARG 106 -12.347 15.009 12.356 837 2HH2 ARG 106 1HH1 ARG 106 -11.857 16.480 11.585 838 H GLY 107 H GLY 107 -12.328 11.614 7.561 839 1HA GLY 107 1HA GLY 107 -14.333 9.779 6.672 840 2HA GLY 107 2HA GLY 107 -14.018 11.396 6.073 841 H TYR 108 H TYR 108 -11.524 11.424 5.034 842 HA TYR 108 HA TYR 108 -11.403 9.103 3.235 843 1HB TYR 108 1HB TYR 108 -10.753 10.954 1.511 844 2HB TYR 108 2HB TYR 108 -12.438 10.939 1.993 845 HD1 TYR 108 1HD TYR 108 -13.131 12.545 3.919 846 HD2 TYR 108 2HD TYR 108 -9.477 12.912 1.726 847 HE1 TYR 108 1HE TYR 108 -12.941 14.979 4.630 848 HE2 TYR 108 2HE TYR 108 -9.298 15.345 2.445 849 HH TYR 108 HH TYR 108 -11.921 16.915 4.157 850 H PHE 109 H PHE 109 -9.860 9.285 5.576 851 HA PHE 109 HA PHE 109 -7.232 9.712 4.376 852 1HB PHE 109 1HB PHE 109 -8.110 11.648 5.908 853 2HB PHE 109 2HB PHE 109 -8.061 10.498 7.229 854 HD1 PHE 109 1HD PHE 109 -5.902 12.062 4.636 855 HD2 PHE 109 2HD PHE 109 -6.091 10.189 8.438 856 HE1 PHE 109 1HE PHE 109 -3.485 12.616 5.029 857 HE2 PHE 109 2HE PHE 109 -3.675 10.742 8.832 858 HZ PHE 109 HZ PHE 109 -2.401 11.949 7.121 859 H HIS 110 H HIS 110 -6.483 7.629 4.297 860 HA HIS 110 HA HIS 110 -7.014 5.952 6.624 861 1HB HIS 110 1HB HIS 110 -5.902 5.100 3.944 862 2HB HIS 110 2HB HIS 110 -6.533 4.072 5.215 863 HD2 HIS 110 2HD HIS 110 -9.184 6.562 5.253 864 HE1 HIS 110 1HE HIS 110 -10.212 4.187 1.875 865 HE2 HIS 110 2HE HIS 110 -11.029 5.916 3.620 866 H THR 111 H THR 111 -5.372 5.188 7.941 867 HA THR 111 HA THR 111 -2.666 6.119 7.233 868 HB THR 111 HB THR 111 -2.484 6.073 9.867 869 HG1 THR 111 1HG THR 111 -4.635 4.969 9.965 870 1HG2 THR 111 1HG2 THR 111 -3.706 8.087 8.060 871 2HG2 THR 111 2HG2 THR 111 -4.244 8.236 9.750 872 3HG2 THR 111 3HG2 THR 111 -2.509 8.317 9.358 873 H PHE 112 H PHE 112 -0.972 4.707 7.320 874 HA PHE 112 HA PHE 112 -1.373 2.140 8.565 875 1HB PHE 112 1HB PHE 112 -1.049 0.906 6.464 876 2HB PHE 112 2HB PHE 112 -2.344 2.053 6.179 877 HD1 PHE 112 1HD PHE 112 -1.633 4.341 5.140 878 HD2 PHE 112 2HD PHE 112 0.754 0.835 5.004 879 HE1 PHE 112 1HE PHE 112 -0.376 5.274 3.179 880 HE2 PHE 112 2HE PHE 112 2.012 1.769 3.043 881 HZ PHE 112 HZ PHE 112 1.432 3.977 2.153 882 H ALA 113 H ALA 113 0.724 0.727 8.100 883 HA ALA 113 HA ALA 113 2.916 2.380 8.880 884 1HB ALA 113 1HB ALA 113 2.664 0.218 9.900 885 2HB ALA 113 2HB ALA 113 2.577 -0.588 8.316 886 3HB ALA 113 3HB ALA 113 4.108 0.136 8.864 887 H GLY 114 H GLY 114 4.814 2.866 7.717 888 1HA GLY 114 1HA GLY 114 4.546 2.509 4.799 889 2HA GLY 114 2HA GLY 114 5.396 3.811 5.607 890 H ASP 115 H ASP 115 7.122 2.995 3.989 891 HA ASP 115 HA ASP 115 8.327 0.672 3.933 892 1HB ASP 115 1HB ASP 115 9.130 2.705 2.757 893 2HB ASP 115 2HB ASP 115 9.716 3.371 4.268 894 H THR 116 H THR 116 9.547 3.275 6.183 895 HA THR 116 HA THR 116 10.091 1.165 8.167 896 HB THR 116 HB THR 116 12.173 2.395 8.698 897 HG1 THR 116 1HG THR 116 12.268 4.480 7.944 898 1HG2 THR 116 1HG2 THR 116 12.670 0.879 6.909 899 2HG2 THR 116 2HG2 THR 116 11.687 1.803 5.748 900 3HG2 THR 116 3HG2 THR 116 13.247 2.451 6.306 901 H CYS 117 H CYS 117 8.442 4.063 7.364 902 HA CYS 117 HA CYS 117 7.867 4.420 10.210 903 1HB CYS 117 1HB CYS 117 8.965 6.386 8.342 904 2HB CYS 117 2HB CYS 117 7.471 6.936 9.074 905 HG CYS 117 HG CYS 117 10.300 7.036 10.180 906 H GLN 118 H GLN 118 5.645 5.448 10.524 907 HA GLN 118 HA GLN 118 3.824 4.146 8.803 908 1HB GLN 118 1HB GLN 118 3.342 4.294 11.183 909 2HB GLN 118 2HB GLN 118 3.455 6.042 11.158 910 1HG GLN 118 1HG GLN 118 1.531 5.807 9.299 911 2HG GLN 118 2HG GLN 118 1.261 4.266 10.088 912 1HE2 GLN 118 1HE2 GLN 118 0.829 4.216 12.355 913 2HE2 GLN 118 2HE2 GLN 118 0.065 5.551 13.150 914 H VAL 119 H VAL 119 2.743 4.943 7.034 915 HA VAL 119 HA VAL 119 2.979 7.838 6.580 916 HB VAL 119 HB VAL 119 2.839 7.217 4.158 917 1HG1 VAL 119 1HG1 VAL 119 5.000 7.482 5.757 918 2HG1 VAL 119 2HG1 VAL 119 5.276 5.833 5.148 919 3HG1 VAL 119 3HG1 VAL 119 5.106 7.185 4.004 920 1HG2 VAL 119 1HG2 VAL 119 2.147 4.708 5.107 921 2HG2 VAL 119 2HG2 VAL 119 2.613 5.106 3.436 922 3HG2 VAL 119 3HG2 VAL 119 3.833 4.493 4.578 923 H ALA 120 H ALA 120 1.132 8.944 5.764 924 HA ALA 120 HA ALA 120 -1.346 7.387 6.059 925 1HB ALA 120 1HB ALA 120 -1.985 8.950 7.538 926 2HB ALA 120 2HB ALA 120 -0.419 9.775 7.345 927 3HB ALA 120 3HB ALA 120 -1.790 10.210 6.296 928 H LEU 121 H LEU 121 -3.125 7.979 4.604 929 HA LEU 121 HA LEU 121 -2.150 9.290 2.163 930 1HB LEU 121 1HB LEU 121 -3.501 7.703 0.874 931 2HB LEU 121 2HB LEU 121 -2.176 6.948 1.737 932 HG LEU 121 HG LEU 121 -4.599 6.883 3.333 933 1HD1 LEU 121 1HD1 LEU 121 -6.004 5.503 1.991 934 2HD1 LEU 121 2HD1 LEU 121 -5.636 6.967 1.046 935 3HD1 LEU 121 3HD1 LEU 121 -4.799 5.439 0.682 936 1HD2 LEU 121 1HD2 LEU 121 -2.425 5.086 2.452 937 2HD2 LEU 121 2HD2 LEU 121 -3.182 5.290 4.050 938 3HD2 LEU 121 3HD2 LEU 121 -3.980 4.297 2.808 939 H ASN 122 H ASN 122 -3.484 10.838 1.277 940 HA ASN 122 HA ASN 122 -6.053 11.133 2.624 941 1HB ASN 122 1HB ASN 122 -4.336 12.904 3.253 942 2HB ASN 122 2HB ASN 122 -4.250 13.374 1.566 943 1HD2 ASN 122 1HD2 ASN 122 -5.595 14.083 4.458 944 2HD2 ASN 122 2HD2 ASN 122 -7.022 14.937 3.978 945 H PHE 123 H PHE 123 -7.523 10.468 1.027 946 HA PHE 123 HA PHE 123 -6.953 10.659 -1.723 947 1HB PHE 123 1HB PHE 123 -9.573 10.356 -0.135 948 2HB PHE 123 2HB PHE 123 -9.408 9.980 -1.839 949 HD1 PHE 123 1HD PHE 123 -8.177 7.993 -2.563 950 HD2 PHE 123 2HD PHE 123 -8.691 8.868 1.557 951 HE1 PHE 123 1HE PHE 123 -7.513 5.644 -1.981 952 HE2 PHE 123 2HE PHE 123 -8.026 6.519 2.139 953 HZ PHE 123 HZ PHE 123 -7.445 4.934 0.363 954 H ALA 124 H ALA 124 -8.404 11.820 -3.330 955 HA ALA 124 HA ALA 124 -8.611 14.584 -2.492 956 1HB ALA 124 1HB ALA 124 -8.744 15.051 -4.843 957 2HB ALA 124 2HB ALA 124 -7.510 13.785 -4.642 958 3HB ALA 124 3HB ALA 124 -9.138 13.358 -5.223 959 H ASN 125 H ASN 125 -10.652 11.787 -3.345 960 HA ASN 125 HA ASN 125 -12.957 13.509 -2.872 961 1HB ASN 125 1HB ASN 125 -12.441 11.975 -5.131 962 2HB ASN 125 2HB ASN 125 -13.405 10.861 -4.182 963 1HD2 ASN 125 1HD2 ASN 125 -14.715 11.309 -6.216 964 2HD2 ASN 125 2HD2 ASN 125 -15.920 12.549 -6.121 965 H GLU 126 H GLU 126 -14.747 12.464 -1.613 966 HA GLU 126 HA GLU 126 -13.689 10.796 0.419 967 1HB GLU 126 1HB GLU 126 -15.610 12.697 0.409 968 2HB GLU 126 2HB GLU 126 -16.643 11.298 0.191 969 1HG GLU 126 1HG GLU 126 -16.135 10.410 2.289 970 2HG GLU 126 2HG GLU 126 -14.522 11.095 2.313 971 H GLU 127 H GLU 127 -16.250 10.455 -2.133 972 HA GLU 127 HA GLU 127 -17.017 7.915 -1.532 973 1HB GLU 127 1HB GLU 127 -18.081 9.462 -3.209 974 2HB GLU 127 2HB GLU 127 -16.768 9.128 -4.321 975 1HG GLU 127 1HG GLU 127 -18.709 7.694 -4.840 976 2HG GLU 127 2HG GLU 127 -17.353 6.711 -4.323 977 H GLU 128 H GLU 128 -14.381 8.993 -3.784 978 HA GLU 128 HA GLU 128 -13.634 6.492 -4.613 979 1HB GLU 128 1HB GLU 128 -12.380 9.195 -4.502 980 2HB GLU 128 2HB GLU 128 -11.254 7.861 -4.653 981 1HG GLU 128 1HG GLU 128 -13.526 7.443 -6.438 982 2HG GLU 128 2HG GLU 128 -12.840 9.033 -6.713 983 H ALA 129 H ALA 129 -13.093 8.155 -1.547 984 HA ALA 129 HA ALA 129 -10.932 6.439 -0.751 985 1HB ALA 129 1HB ALA 129 -10.688 8.394 0.388 986 2HB ALA 129 2HB ALA 129 -12.422 8.783 0.294 987 3HB ALA 129 3HB ALA 129 -11.830 7.651 1.532 988 H LYS 130 H LYS 130 -14.489 6.630 -0.387 989 HA LYS 130 HA LYS 130 -14.648 4.658 1.627 990 1HB LYS 130 1HB LYS 130 -16.373 6.409 1.083 991 2HB LYS 130 2HB LYS 130 -16.780 5.496 -0.356 992 1HG LYS 130 1HG LYS 130 -16.726 3.630 1.828 993 2HG LYS 130 2HG LYS 130 -17.624 5.031 2.377 994 1HD LYS 130 1HD LYS 130 -18.766 4.807 -0.054 995 2HD LYS 130 2HD LYS 130 -18.250 3.141 0.114 996 1HE LYS 130 1HE LYS 130 -19.616 2.760 2.008 997 2HE LYS 130 2HE LYS 130 -19.699 4.461 2.420 998 1HZ LYS 130 1HZ LYS 130 -21.293 4.826 0.878 999 2HZ LYS 130 2HZ LYS 130 -20.807 3.634 -0.127 1000 3HZ LYS 130 3HZ LYS 130 -21.649 3.270 1.224 1001 H LYS 131 H LYS 131 -14.925 4.599 -1.978 1002 HA LYS 131 HA LYS 131 -15.464 1.835 -2.090 1003 1HB LYS 131 1HB LYS 131 -15.015 2.097 -4.493 1004 2HB LYS 131 2HB LYS 131 -16.104 3.327 -3.885 1005 1HG LYS 131 1HG LYS 131 -14.711 4.879 -4.778 1006 2HG LYS 131 2HG LYS 131 -13.559 4.470 -3.522 1007 1HD LYS 131 1HD LYS 131 -13.187 2.415 -5.384 1008 2HD LYS 131 2HD LYS 131 -13.513 3.800 -6.405 1009 1HE LYS 131 1HE LYS 131 -11.752 5.094 -5.079 1010 2HE LYS 131 2HE LYS 131 -11.359 3.602 -4.248 1011 1HZ LYS 131 1HZ LYS 131 -10.848 4.347 -6.985 1012 2HZ LYS 131 2HZ LYS 131 -9.945 3.448 -5.963 1013 3HZ LYS 131 3HZ LYS 131 -11.224 2.779 -6.727 1014 H PHE 132 H PHE 132 -12.543 3.765 -1.683 1015 HA PHE 132 HA PHE 132 -10.698 1.893 -2.632 1016 1HB PHE 132 1HB PHE 132 -10.764 4.477 -1.547 1017 2HB PHE 132 2HB PHE 132 -10.027 3.577 -0.236 1018 HD1 PHE 132 1HD PHE 132 -7.777 2.818 -0.380 1019 HD2 PHE 132 2HD PHE 132 -9.653 4.524 -3.783 1020 HE1 PHE 132 1HE PHE 132 -5.553 2.954 -1.537 1021 HE2 PHE 132 2HE PHE 132 -7.429 4.660 -4.940 1022 HZ PHE 132 HZ PHE 132 -5.407 3.873 -3.803 1023 H ARG 133 H ARG 133 -11.753 2.635 0.773 1024 HA ARG 133 HA ARG 133 -10.294 0.567 1.873 1025 1HB ARG 133 1HB ARG 133 -11.640 2.650 2.917 1026 2HB ARG 133 2HB ARG 133 -12.901 1.452 3.128 1027 1HG ARG 133 1HG ARG 133 -10.778 0.031 4.097 1028 2HG ARG 133 2HG ARG 133 -10.225 1.653 4.467 1029 1HD ARG 133 1HD ARG 133 -11.674 1.816 6.211 1030 2HD ARG 133 2HD ARG 133 -13.037 1.423 5.183 1031 HE ARG 133 HE ARG 133 -11.517 -0.964 5.754 1032 1HH1 ARG 133 2HH2 ARG 133 -13.784 1.286 7.230 1033 2HH1 ARG 133 1HH2 ARG 133 -14.409 0.120 8.350 1034 1HH2 ARG 133 2HH1 ARG 133 -12.341 -2.501 7.230 1035 2HH2 ARG 133 1HH1 ARG 133 -13.582 -2.048 8.350 1036 H LYS 134 H LYS 134 -13.634 0.769 0.562 1037 HA LYS 134 HA LYS 134 -14.570 -1.668 1.532 1038 1HB LYS 134 1HB LYS 134 -15.613 0.428 0.117 1039 2HB LYS 134 2HB LYS 134 -15.542 -0.806 -1.125 1040 1HG LYS 134 1HG LYS 134 -17.593 -1.364 -0.207 1041 2HG LYS 134 2HG LYS 134 -16.574 -2.341 0.831 1042 1HD LYS 134 1HD LYS 134 -16.837 0.436 1.807 1043 2HD LYS 134 2HD LYS 134 -18.386 -0.376 1.680 1044 1HE LYS 134 1HE LYS 134 -16.871 -2.367 2.838 1045 2HE LYS 134 2HE LYS 134 -16.088 -0.947 3.501 1046 1HZ LYS 134 1HZ LYS 134 -19.000 -1.195 3.539 1047 2HZ LYS 134 2HZ LYS 134 -18.087 -1.880 4.706 1048 3HZ LYS 134 3HZ LYS 134 -18.046 -0.263 4.481 1049 H ALA 135 H ALA 135 -12.689 -0.806 -1.416 1050 HA ALA 135 HA ALA 135 -12.814 -3.375 -2.554 1051 1HB ALA 135 1HB ALA 135 -10.396 -1.883 -3.197 1052 2HB ALA 135 2HB ALA 135 -11.790 -2.279 -4.232 1053 3HB ALA 135 3HB ALA 135 -11.825 -0.822 -3.210 1054 H VAL 136 H VAL 136 -10.372 -1.708 -0.457 1055 HA VAL 136 HA VAL 136 -8.465 -3.661 -0.403 1056 HB VAL 136 HB VAL 136 -9.437 -1.664 1.626 1057 1HG1 VAL 136 1HG1 VAL 136 -8.548 -3.378 3.020 1058 2HG1 VAL 136 2HG1 VAL 136 -7.170 -3.652 1.927 1059 3HG1 VAL 136 3HG1 VAL 136 -7.275 -2.142 2.865 1060 1HG2 VAL 136 1HG2 VAL 136 -7.057 -1.858 -0.237 1061 2HG2 VAL 136 2HG2 VAL 136 -8.354 -0.638 -0.220 1062 3HG2 VAL 136 3HG2 VAL 136 -7.151 -0.677 1.092 1063 H THR 137 H THR 137 -10.987 -3.245 2.186 1064 HA THR 137 HA THR 137 -10.581 -5.657 3.423 1065 HB THR 137 HB THR 137 -12.909 -5.277 4.276 1066 HG1 THR 137 1HG THR 137 -12.745 -3.552 1.932 1067 1HG2 THR 137 1HG2 THR 137 -12.595 -3.101 5.225 1068 2HG2 THR 137 2HG2 THR 137 -10.936 -3.680 4.943 1069 3HG2 THR 137 3HG2 THR 137 -11.680 -2.528 3.810 1070 H ASP 138 H ASP 138 -12.779 -4.959 0.639 1071 HA ASP 138 HA ASP 138 -13.943 -7.393 0.474 1072 1HB ASP 138 1HB ASP 138 -13.352 -5.153 -1.357 1073 2HB ASP 138 2HB ASP 138 -13.458 -6.683 -2.205 1074 H LEU 139 H LEU 139 -10.744 -6.252 -0.760 1075 HA LEU 139 HA LEU 139 -10.147 -8.641 -2.157 1076 1HB LEU 139 1HB LEU 139 -9.185 -6.471 -2.716 1077 2HB LEU 139 2HB LEU 139 -8.380 -6.402 -1.162 1078 HG LEU 139 HG LEU 139 -7.812 -8.729 -2.962 1079 1HD1 LEU 139 1HD1 LEU 139 -6.186 -6.240 -3.309 1080 2HD1 LEU 139 2HD1 LEU 139 -6.428 -7.616 -4.412 1081 3HD1 LEU 139 3HD1 LEU 139 -7.718 -6.409 -4.199 1082 1HD2 LEU 139 1HD2 LEU 139 -5.467 -8.169 -1.937 1083 2HD2 LEU 139 2HD2 LEU 139 -6.427 -7.255 -0.749 1084 3HD2 LEU 139 3HD2 LEU 139 -6.703 -9.000 -0.963 1085 H LEU 140 H LEU 140 -9.273 -7.321 1.097 1086 HA LEU 140 HA LEU 140 -7.636 -9.451 1.830 1087 1HB LEU 140 1HB LEU 140 -9.045 -7.224 3.177 1088 2HB LEU 140 2HB LEU 140 -8.602 -8.581 4.194 1089 HG LEU 140 HG LEU 140 -6.283 -8.080 2.735 1090 1HD1 LEU 140 1HD1 LEU 140 -6.072 -5.933 2.199 1091 2HD1 LEU 140 2HD1 LEU 140 -7.825 -5.773 2.472 1092 3HD1 LEU 140 3HD1 LEU 140 -6.681 -5.402 3.786 1093 1HD2 LEU 140 1HD2 LEU 140 -6.508 -6.737 5.360 1094 2HD2 LEU 140 2HD2 LEU 140 -6.968 -8.456 5.326 1095 3HD2 LEU 140 3HD2 LEU 140 -5.349 -7.958 4.780 1096 H GLY 141 H GLY 141 -11.181 -9.003 1.879 1097 1HA GLY 141 1HA GLY 141 -11.800 -11.207 3.524 1098 2HA GLY 141 2HA GLY 141 -12.861 -10.411 2.381 1099 H ARG 142 H ARG 142 -11.610 -10.815 -0.085 1100 HA ARG 142 HA ARG 142 -12.375 -13.419 -0.612 1101 1HB ARG 142 1HB ARG 142 -11.643 -11.105 -2.092 1102 2HB ARG 142 2HB ARG 142 -10.520 -12.343 -2.620 1103 1HG ARG 142 1HG ARG 142 -13.030 -13.655 -2.503 1104 2HG ARG 142 2HG ARG 142 -13.386 -12.081 -3.184 1105 1HD ARG 142 1HD ARG 142 -12.336 -12.571 -5.156 1106 2HD ARG 142 2HD ARG 142 -10.937 -13.245 -4.344 1107 HE ARG 142 HE ARG 142 -13.234 -15.009 -4.116 1108 1HH1 ARG 142 2HH2 ARG 142 -10.673 -13.995 -6.307 1109 2HH1 ARG 142 1HH2 ARG 142 -10.680 -15.477 -7.205 1110 1HH2 ARG 142 2HH1 ARG 142 -13.244 -16.964 -5.300 1111 2HH2 ARG 142 1HH1 ARG 142 -12.153 -17.176 -6.629 1112 H ARG 143 H ARG 143 -9.169 -11.859 -0.093 1113 HA ARG 143 HA ARG 143 -7.137 -12.664 -0.082 1114 1HB ARG 143 1HB ARG 143 -6.743 -14.317 1.670 1115 2HB ARG 143 2HB ARG 143 -8.103 -13.328 2.166 1116 1HG ARG 143 1HG ARG 143 -9.699 -15.051 1.447 1117 2HG ARG 143 2HG ARG 143 -8.414 -16.008 0.735 1118 1HD ARG 143 1HD ARG 143 -7.792 -15.409 3.532 1119 2HD ARG 143 2HD ARG 143 -9.377 -16.146 3.410 1120 HE ARG 143 HE ARG 143 -7.371 -17.521 1.786 1121 1HH1 ARG 143 2HH2 ARG 143 -8.751 -17.253 5.013 1122 2HH1 ARG 143 1HH2 ARG 143 -8.276 -18.850 5.487 1123 1HH2 ARG 143 2HH1 ARG 143 -6.746 -19.628 2.411 1124 2HH2 ARG 143 1HH1 ARG 143 -7.129 -20.211 3.997 1125 H GLN 144 H GLN 144 -6.160 -15.423 0.194 1126 HA GLN 144 HA GLN 144 -6.260 -16.123 -2.540 1127 1HB GLN 144 1HB GLN 144 -4.261 -16.366 -0.970 1128 2HB GLN 144 2HB GLN 144 -5.077 -17.735 -0.241 1129 1HG GLN 144 1HG GLN 144 -4.768 -17.684 -3.247 1130 2HG GLN 144 2HG GLN 144 -3.361 -18.063 -2.272 1131 1HE2 GLN 144 1HE2 GLN 144 -5.486 -19.505 -4.058 1132 2HE2 GLN 144 2HE2 GLN 144 -5.820 -20.972 -3.199 Start of MODEL 19 1 1H ASP 1 H ASP 1 -5.913 20.106 9.998 2 HA ASP 1 HA ASP 1 -7.221 19.940 11.911 3 1HB ASP 1 1HB ASP 1 -9.284 20.620 10.089 4 2HB ASP 1 2HB ASP 1 -9.703 19.011 10.644 5 H LEU 2 H LEU 2 -5.635 18.209 10.089 6 HA LEU 2 HA LEU 2 -6.983 15.750 9.710 7 1HB LEU 2 1HB LEU 2 -4.046 15.737 9.915 8 2HB LEU 2 2HB LEU 2 -5.103 15.089 8.677 9 HG LEU 2 HG LEU 2 -4.200 17.961 8.992 10 1HD1 LEU 2 1HD1 LEU 2 -3.526 17.262 6.481 11 2HD1 LEU 2 2HD1 LEU 2 -2.450 17.058 7.884 12 3HD1 LEU 2 3HD1 LEU 2 -3.397 15.677 7.280 13 1HD2 LEU 2 1HD2 LEU 2 -6.678 17.351 8.146 14 2HD2 LEU 2 2HD2 LEU 2 -5.727 18.713 7.506 15 3HD2 LEU 2 3HD2 LEU 2 -5.788 17.174 6.614 16 HA PRO 3 HA PRO 3 -6.327 13.783 13.504 17 1HB PRO 3 1HB PRO 3 -5.373 11.290 12.919 18 2HB PRO 3 2HB PRO 3 -7.060 11.734 12.751 19 1HG PRO 3 1HG PRO 3 -5.023 11.357 10.642 20 2HG PRO 3 2HG PRO 3 -6.769 11.378 10.490 21 1HD PRO 3 1HD PRO 3 -4.960 13.487 9.781 22 2HD PRO 3 2HD PRO 3 -6.711 13.550 9.740 23 HA PRO 4 HA PRO 4 -2.413 14.220 15.077 24 1HB PRO 4 1HB PRO 4 -2.543 12.858 17.443 25 2HB PRO 4 2HB PRO 4 -3.175 14.480 17.235 26 1HG PRO 4 1HG PRO 4 -4.651 11.925 17.422 27 2HG PRO 4 2HG PRO 4 -5.250 13.558 17.640 28 1HD PRO 4 1HD PRO 4 -5.622 11.886 15.338 29 2HD PRO 4 2HD PRO 4 -6.119 13.557 15.511 30 HA PRO 5 HA PRO 5 -0.102 10.883 13.796 31 1HB PRO 5 1HB PRO 5 2.411 11.854 14.252 32 2HB PRO 5 2HB PRO 5 1.484 12.232 12.814 33 1HG PRO 5 1HG PRO 5 2.036 13.938 15.164 34 2HG PRO 5 2HG PRO 5 1.494 14.413 13.566 35 1HD PRO 5 1HD PRO 5 -0.109 14.232 15.939 36 2HD PRO 5 2HD PRO 5 -0.671 14.595 14.319 37 H GLU 6 H GLU 6 0.386 8.931 14.607 38 HA GLU 6 HA GLU 6 1.099 9.044 17.435 39 1HB GLU 6 1HB GLU 6 -0.747 7.266 15.877 40 2HB GLU 6 2HB GLU 6 0.162 6.513 17.171 41 1HG GLU 6 1HG GLU 6 -1.022 9.122 17.938 42 2HG GLU 6 2HG GLU 6 -2.219 7.927 17.482 43 HA PRO 7 HA PRO 7 4.739 6.943 16.350 44 1HB PRO 7 1HB PRO 7 5.455 5.845 18.749 45 2HB PRO 7 2HB PRO 7 5.754 7.522 18.335 46 1HG PRO 7 1HG PRO 7 3.707 6.396 20.147 47 2HG PRO 7 2HG PRO 7 4.297 8.043 20.045 48 1HD PRO 7 1HD PRO 7 1.805 7.048 19.032 49 2HD PRO 7 2HD PRO 7 2.448 8.665 18.829 50 H TYR 8 H TYR 8 4.942 5.282 15.002 51 HA TYR 8 HA TYR 8 3.359 2.932 15.676 52 1HB TYR 8 1HB TYR 8 3.453 4.153 13.386 53 2HB TYR 8 2HB TYR 8 5.135 3.677 13.270 54 HD1 TYR 8 1HD TYR 8 5.503 1.015 13.677 55 HD2 TYR 8 2HD TYR 8 1.913 2.850 12.248 56 HE1 TYR 8 1HE TYR 8 4.802 -1.179 12.598 57 HE2 TYR 8 2HE TYR 8 1.224 0.651 11.176 58 HH TYR 8 HH TYR 8 3.325 -2.209 11.418 59 H VAL 9 H VAL 9 4.210 1.030 16.400 60 HA VAL 9 HA VAL 9 7.122 0.955 16.671 61 HB VAL 9 HB VAL 9 4.837 -0.425 18.074 62 1HG1 VAL 9 1HG1 VAL 9 6.377 -1.771 19.315 63 2HG1 VAL 9 2HG1 VAL 9 6.726 -2.026 17.588 64 3HG1 VAL 9 3HG1 VAL 9 7.780 -0.973 18.563 65 1HG2 VAL 9 1HG2 VAL 9 5.452 1.883 18.774 66 2HG2 VAL 9 2HG2 VAL 9 5.704 0.672 20.054 67 3HG2 VAL 9 3HG2 VAL 9 7.095 1.303 19.140 68 H GLN 10 H GLN 10 8.266 -0.208 15.222 69 HA GLN 10 HA GLN 10 6.877 -1.882 13.409 70 1HB GLN 10 1HB GLN 10 9.237 -0.431 13.341 71 2HB GLN 10 2HB GLN 10 9.838 -2.071 13.479 72 1HG GLN 10 1HG GLN 10 7.656 -2.048 11.570 73 2HG GLN 10 2HG GLN 10 8.778 -0.770 11.149 74 1HE2 GLN 10 1HE2 GLN 10 9.597 -1.720 9.356 75 2HE2 GLN 10 2HE2 GLN 10 10.595 -3.137 9.359 76 H THR 11 H THR 11 6.290 -3.966 13.812 77 HA THR 11 HA THR 11 8.181 -5.692 15.186 78 HB THR 11 HB THR 11 6.690 -4.596 16.949 79 HG1 THR 11 1HG THR 11 7.625 -6.814 17.061 80 1HG2 THR 11 1HG2 THR 11 4.542 -6.374 15.694 81 2HG2 THR 11 2HG2 THR 11 4.366 -5.298 17.100 82 3HG2 THR 11 3HG2 THR 11 4.578 -4.609 15.473 83 H THR 12 H THR 12 8.444 -7.404 13.913 84 HA THR 12 HA THR 12 7.964 -9.123 12.582 85 HB THR 12 HB THR 12 5.702 -8.855 14.250 86 HG1 THR 12 1HG THR 12 6.440 -10.765 12.144 87 1HG2 THR 12 1HG2 THR 12 4.879 -9.402 11.350 88 2HG2 THR 12 2HG2 THR 12 3.837 -9.552 12.785 89 3HG2 THR 12 3HG2 THR 12 4.414 -7.949 12.269 90 H LYS 13 H LYS 13 7.939 -9.375 10.395 91 HA LYS 13 HA LYS 13 6.210 -8.002 8.693 92 1HB LYS 13 1HB LYS 13 7.771 -6.120 9.650 93 2HB LYS 13 2HB LYS 13 8.946 -6.769 8.524 94 1HG LYS 13 1HG LYS 13 6.311 -6.486 7.256 95 2HG LYS 13 2HG LYS 13 6.855 -4.962 7.928 96 1HD LYS 13 1HD LYS 13 9.164 -6.009 6.701 97 2HD LYS 13 2HD LYS 13 7.876 -6.443 5.595 98 1HE LYS 13 1HE LYS 13 7.332 -4.217 5.122 99 2HE LYS 13 2HE LYS 13 7.856 -3.637 6.689 100 1HZ LYS 13 1HZ LYS 13 9.904 -4.765 5.001 101 2HZ LYS 13 2HZ LYS 13 9.277 -3.337 4.513 102 3HZ LYS 13 3HZ LYS 13 9.965 -3.465 5.989 103 H SER 14 H SER 14 6.227 -9.043 6.736 104 HA SER 14 HA SER 14 8.607 -10.183 5.740 105 1HB SER 14 1HB SER 14 8.006 -12.537 5.855 106 2HB SER 14 2HB SER 14 7.994 -11.881 7.480 107 HG SER 14 HG SER 14 5.622 -11.605 7.214 108 H TYR 15 H TYR 15 8.418 -10.146 3.516 109 HA TYR 15 HA TYR 15 5.785 -9.588 2.433 110 1HB TYR 15 1HB TYR 15 8.668 -9.748 1.352 111 2HB TYR 15 2HB TYR 15 7.309 -9.266 0.355 112 HD1 TYR 15 1HD TYR 15 5.781 -7.462 2.083 113 HD2 TYR 15 2HD TYR 15 10.017 -7.873 1.642 114 HE1 TYR 15 1HE TYR 15 6.100 -5.051 2.822 115 HE2 TYR 15 2HE TYR 15 10.321 -5.460 2.383 116 HH TYR 15 HH TYR 15 8.775 -3.338 2.278 117 HA PRO 16 HA PRO 16 5.245 -13.596 0.880 118 1HB PRO 16 1HB PRO 16 3.308 -13.129 -0.990 119 2HB PRO 16 2HB PRO 16 2.967 -13.298 0.720 120 1HG PRO 16 1HG PRO 16 3.023 -10.843 -0.925 121 2HG PRO 16 2HG PRO 16 2.288 -11.095 0.645 122 1HD PRO 16 1HD PRO 16 4.750 -9.728 0.103 123 2HD PRO 16 2HD PRO 16 4.073 -10.082 1.680 124 H SER 17 H SER 17 5.907 -11.008 -1.348 125 HA SER 17 HA SER 17 6.463 -12.674 -3.506 126 1HB SER 17 1HB SER 17 6.109 -10.422 -4.070 127 2HB SER 17 2HB SER 17 7.110 -9.823 -2.762 128 HG SER 17 HG SER 17 8.975 -10.282 -3.910 129 H LYS 18 H LYS 18 8.480 -11.287 -0.854 130 HA LYS 18 HA LYS 18 10.665 -13.027 -1.769 131 1HB LYS 18 1HB LYS 18 10.861 -10.388 -1.750 132 2HB LYS 18 2HB LYS 18 11.147 -10.625 -0.038 133 1HG LYS 18 1HG LYS 18 12.743 -12.602 -1.237 134 2HG LYS 18 2HG LYS 18 12.898 -11.244 -2.332 135 1HD LYS 18 1HD LYS 18 13.060 -10.440 0.511 136 2HD LYS 18 2HD LYS 18 14.307 -11.587 0.062 137 1HE LYS 18 1HE LYS 18 13.876 -9.421 -1.937 138 2HE LYS 18 2HE LYS 18 14.440 -8.853 -0.377 139 1HZ LYS 18 1HZ LYS 18 15.786 -11.178 -1.395 140 2HZ LYS 18 2HZ LYS 18 16.033 -9.805 -2.246 141 3HZ LYS 18 3HZ LYS 18 16.399 -9.857 -0.655 142 H LEU 19 H LEU 19 8.809 -14.386 -0.429 143 HA LEU 19 HA LEU 19 9.508 -14.254 2.402 144 1HB LEU 19 1HB LEU 19 7.108 -14.528 1.143 145 2HB LEU 19 2HB LEU 19 7.509 -16.204 1.464 146 HG LEU 19 HG LEU 19 7.344 -13.993 3.532 147 1HD1 LEU 19 1HD1 LEU 19 5.260 -15.293 2.301 148 2HD1 LEU 19 2HD1 LEU 19 5.519 -16.277 3.761 149 3HD1 LEU 19 3HD1 LEU 19 5.208 -14.531 3.909 150 1HD2 LEU 19 1HD2 LEU 19 9.037 -15.623 4.155 151 2HD2 LEU 19 2HD2 LEU 19 7.603 -15.784 5.197 152 3HD2 LEU 19 3HD2 LEU 19 7.886 -16.955 3.886 153 H ALA 20 H ALA 20 10.193 -15.969 -0.552 154 HA ALA 20 HA ALA 20 11.590 -17.633 -0.984 155 1HB ALA 20 1HB ALA 20 13.275 -18.264 0.623 156 2HB ALA 20 2HB ALA 20 12.985 -16.517 0.808 157 3HB ALA 20 3HB ALA 20 12.288 -17.664 1.976 158 H ARG 21 H ARG 21 8.724 -17.847 0.308 159 HA ARG 21 HA ARG 21 8.874 -20.499 1.371 160 1HB ARG 21 1HB ARG 21 7.274 -18.623 2.170 161 2HB ARG 21 2HB ARG 21 6.358 -18.903 0.703 162 1HG ARG 21 1HG ARG 21 7.020 -21.347 2.300 163 2HG ARG 21 2HG ARG 21 5.902 -20.231 3.055 164 1HD ARG 21 1HD ARG 21 4.230 -20.637 1.509 165 2HD ARG 21 2HD ARG 21 5.353 -20.794 0.173 166 HE ARG 21 HE ARG 21 5.628 -23.000 2.044 167 1HH1 ARG 21 2HH2 ARG 21 3.659 -21.789 -0.609 168 2HH1 ARG 21 1HH2 ARG 21 3.108 -23.361 -1.086 169 1HH2 ARG 21 2HH1 ARG 21 4.901 -25.073 1.415 170 2HH2 ARG 21 1HH1 ARG 21 3.819 -25.241 0.073 171 H ASN 22 H ASN 22 9.458 -21.905 -0.343 172 HA ASN 22 HA ASN 22 7.357 -22.414 -2.198 173 1HB ASN 22 1HB ASN 22 9.787 -20.940 -3.001 174 2HB ASN 22 2HB ASN 22 9.612 -22.426 -3.913 175 1HD2 ASN 22 1HD2 ASN 22 8.124 -19.383 -3.024 176 2HD2 ASN 22 2HD2 ASN 22 6.979 -19.282 -4.318 177 H GLU 23 H GLU 23 7.937 -24.491 -3.497 178 HA GLU 23 HA GLU 23 10.213 -25.926 -2.562 179 1HB GLU 23 1HB GLU 23 8.832 -27.872 -1.711 180 2HB GLU 23 2HB GLU 23 8.788 -26.447 -0.692 181 1HG GLU 23 1HG GLU 23 6.569 -25.972 -1.194 182 2HG GLU 23 2HG GLU 23 6.684 -26.610 -2.823 183 H SER 24 H SER 24 9.994 -25.187 -5.079 184 HA SER 24 HA SER 24 8.377 -26.308 -6.843 185 1HB SER 24 1HB SER 24 11.373 -25.863 -6.941 186 2HB SER 24 2HB SER 24 10.537 -26.521 -8.332 187 HG SER 24 HG SER 24 10.794 -23.973 -7.777 188 H ARG 25 H ARG 25 11.444 -27.894 -5.674 189 HA ARG 25 HA ARG 25 12.067 -29.959 -5.572 190 1HB ARG 25 1HB ARG 25 9.726 -29.959 -4.248 191 2HB ARG 25 2HB ARG 25 9.230 -31.014 -5.558 192 1HG ARG 25 1HG ARG 25 10.296 -32.758 -4.581 193 2HG ARG 25 2HG ARG 25 11.823 -31.906 -4.690 194 1HD ARG 25 1HD ARG 25 11.259 -30.694 -2.541 195 2HD ARG 25 2HD ARG 25 9.791 -31.642 -2.422 196 HE ARG 25 HE ARG 25 12.513 -32.570 -1.884 197 1HH1 ARG 25 2HH2 ARG 25 9.258 -33.577 -2.765 198 2HH1 ARG 25 1HH2 ARG 25 9.462 -35.194 -2.177 199 1HH2 ARG 25 2HH1 ARG 25 12.783 -34.702 -1.108 200 2HH2 ARG 25 1HH1 ARG 25 11.480 -35.838 -1.229 201 H GLY 26 H GLY 26 12.950 -30.188 -7.692 202 1HA GLY 26 1HA GLY 26 12.409 -32.183 -9.307 203 2HA GLY 26 2HA GLY 26 11.161 -31.071 -9.835 204 H SER 27 H SER 27 11.764 -28.984 -10.775 205 HA SER 27 HA SER 27 12.914 -27.761 -12.151 206 1HB SER 27 1HB SER 27 14.208 -27.296 -10.048 207 2HB SER 27 2HB SER 27 15.336 -28.567 -10.478 208 HG SER 27 HG SER 27 15.212 -25.956 -11.379 209 H GLY 28 H GLY 28 12.531 -29.170 -13.989 210 1HA GLY 28 1HA GLY 28 14.968 -30.597 -14.857 211 2HA GLY 28 2HA GLY 28 13.386 -31.340 -14.975 212 H SER 29 H SER 29 13.254 -31.462 -17.243 213 HA SER 29 HA SER 29 14.004 -29.395 -18.919 214 1HB SER 29 1HB SER 29 12.888 -30.647 -20.669 215 2HB SER 29 2HB SER 29 13.644 -31.795 -19.580 216 HG SER 29 HG SER 29 10.853 -31.117 -19.820 217 H GLY 30 H GLY 30 13.026 -27.458 -19.417 218 1HA GLY 30 1HA GLY 30 10.195 -27.161 -19.545 219 2HA GLY 30 2HA GLY 30 10.835 -26.467 -18.070 220 H SER 31 H SER 31 10.046 -24.381 -19.030 221 HA SER 31 HA SER 31 10.446 -22.440 -19.912 222 1HB SER 31 1HB SER 31 13.057 -23.470 -19.384 223 2HB SER 31 2HB SER 31 13.147 -22.699 -20.955 224 HG SER 31 HG SER 31 12.816 -21.561 -18.420 225 H LEU 32 H LEU 32 8.899 -23.104 -21.618 226 HA LEU 32 HA LEU 32 9.931 -22.649 -24.189 227 1HB LEU 32 1HB LEU 32 9.666 -24.741 -25.250 228 2HB LEU 32 2HB LEU 32 10.737 -24.966 -23.881 229 HG LEU 32 HG LEU 32 7.788 -25.643 -23.808 230 1HD1 LEU 32 1HD1 LEU 32 10.135 -27.448 -24.452 231 2HD1 LEU 32 2HD1 LEU 32 8.478 -28.000 -24.105 232 3HD1 LEU 32 3HD1 LEU 32 8.801 -26.994 -25.537 233 1HD2 LEU 32 1HD2 LEU 32 8.240 -25.689 -21.612 234 2HD2 LEU 32 2HD2 LEU 32 9.033 -27.240 -21.980 235 3HD2 LEU 32 3HD2 LEU 32 10.001 -25.750 -21.868 236 H PHE 33 H PHE 33 8.250 -22.139 -25.646 237 HA PHE 33 HA PHE 33 6.197 -21.655 -26.308 238 1HB PHE 33 1HB PHE 33 5.943 -24.100 -24.989 239 2HB PHE 33 2HB PHE 33 4.850 -23.111 -24.042 240 HD1 PHE 33 1HD PHE 33 5.113 -25.175 -26.856 241 HD2 PHE 33 2HD PHE 33 3.146 -21.676 -25.477 242 HE1 PHE 33 1HE PHE 33 3.321 -25.502 -28.583 243 HE2 PHE 33 2HE PHE 33 1.354 -22.004 -27.204 244 HZ PHE 33 HZ PHE 33 1.462 -23.912 -28.737 245 H SER 34 H SER 34 5.980 -22.015 -22.689 246 HA SER 34 HA SER 34 4.216 -20.110 -22.156 247 1HB SER 34 1HB SER 34 5.353 -19.808 -19.968 248 2HB SER 34 2HB SER 34 5.264 -21.498 -20.427 249 HG SER 34 HG SER 34 7.559 -19.744 -20.599 250 H PHE 35 H PHE 35 4.015 -17.971 -22.702 251 HA PHE 35 HA PHE 35 6.121 -16.148 -22.311 252 1HB PHE 35 1HB PHE 35 5.812 -17.530 -24.910 253 2HB PHE 35 2HB PHE 35 5.592 -15.803 -25.106 254 HD1 PHE 35 1HD PHE 35 7.966 -18.456 -24.564 255 HD2 PHE 35 2HD PHE 35 7.436 -14.249 -24.401 256 HE1 PHE 35 1HE PHE 35 10.455 -18.141 -24.583 257 HE2 PHE 35 2HE PHE 35 9.926 -13.935 -24.419 258 HZ PHE 35 HZ PHE 35 11.406 -15.884 -24.510 259 H LEU 36 H LEU 36 5.250 -14.118 -22.029 260 HA LEU 36 HA LEU 36 3.747 -12.504 -21.936 261 1HB LEU 36 1HB LEU 36 2.638 -13.785 -24.437 262 2HB LEU 36 2HB LEU 36 2.161 -12.219 -23.814 263 HG LEU 36 HG LEU 36 5.067 -12.502 -24.196 264 1HD1 LEU 36 1HD1 LEU 36 4.153 -13.904 -26.067 265 2HD1 LEU 36 2HD1 LEU 36 3.327 -12.449 -26.671 266 3HD1 LEU 36 3HD1 LEU 36 5.104 -12.489 -26.579 267 1HD2 LEU 36 1HD2 LEU 36 4.754 -10.307 -24.024 268 2HD2 LEU 36 2HD2 LEU 36 4.093 -10.350 -25.676 269 3HD2 LEU 36 3HD2 LEU 36 2.999 -10.463 -24.276 270 H GLY 37 H GLY 37 1.469 -12.016 -21.312 271 1HA GLY 37 1HA GLY 37 -0.725 -13.250 -21.022 272 2HA GLY 37 2HA GLY 37 0.229 -14.429 -20.146 273 H LYS 38 H LYS 38 -1.999 -12.681 -19.176 274 HA LYS 38 HA LYS 38 -1.243 -10.490 -17.776 275 1HB LYS 38 1HB LYS 38 -3.289 -12.634 -17.329 276 2HB LYS 38 2HB LYS 38 -3.029 -11.447 -16.067 277 1HG LYS 38 1HG LYS 38 -3.908 -9.716 -17.315 278 2HG LYS 38 2HG LYS 38 -3.229 -10.310 -18.818 279 1HD LYS 38 1HD LYS 38 -5.173 -11.340 -19.378 280 2HD LYS 38 2HD LYS 38 -5.230 -12.193 -17.848 281 1HE LYS 38 1HE LYS 38 -7.217 -10.810 -17.967 282 2HE LYS 38 2HE LYS 38 -6.159 -10.089 -16.770 283 1HZ LYS 38 1HZ LYS 38 -5.575 -8.413 -18.218 284 2HZ LYS 38 2HZ LYS 38 -6.044 -9.222 -19.557 285 3HZ LYS 38 3HZ LYS 38 -7.164 -8.607 -18.540 286 H LYS 39 H LYS 39 -0.946 -10.290 -15.310 287 HA LYS 39 HA LYS 39 0.366 -12.482 -14.035 288 1HB LYS 39 1HB LYS 39 2.010 -11.080 -15.709 289 2HB LYS 39 2HB LYS 39 2.224 -10.190 -14.216 290 1HG LYS 39 1HG LYS 39 2.698 -12.352 -13.017 291 2HG LYS 39 2HG LYS 39 2.536 -13.213 -14.534 292 1HD LYS 39 1HD LYS 39 4.387 -11.695 -15.471 293 2HD LYS 39 2HD LYS 39 4.629 -11.104 -13.839 294 1HE LYS 39 1HE LYS 39 5.253 -13.308 -13.032 295 2HE LYS 39 2HE LYS 39 4.716 -14.077 -14.512 296 1HZ LYS 39 1HZ LYS 39 6.536 -13.363 -15.623 297 2HZ LYS 39 2HZ LYS 39 6.745 -12.017 -14.722 298 3HZ LYS 39 3HZ LYS 39 7.195 -13.473 -14.133 299 H CYS 40 H CYS 40 0.271 -8.845 -14.018 300 HA CYS 40 HA CYS 40 -0.441 -9.033 -11.194 301 1HB CYS 40 1HB CYS 40 0.535 -6.640 -12.791 302 2HB CYS 40 2HB CYS 40 0.182 -6.648 -11.074 303 HG CYS 40 HG CYS 40 2.468 -8.272 -12.811 304 H VAL 41 H VAL 41 -2.410 -8.106 -10.441 305 HA VAL 41 HA VAL 41 -4.252 -7.325 -12.592 306 HB VAL 41 HB VAL 41 -4.750 -8.640 -9.915 307 1HG1 VAL 41 1HG1 VAL 41 -6.571 -7.117 -10.365 308 2HG1 VAL 41 2HG1 VAL 41 -6.710 -7.710 -12.038 309 3HG1 VAL 41 3HG1 VAL 41 -7.124 -8.781 -10.678 310 1HG2 VAL 41 1HG2 VAL 41 -5.613 -10.509 -11.346 311 2HG2 VAL 41 2HG2 VAL 41 -4.976 -9.648 -12.768 312 3HG2 VAL 41 3HG2 VAL 41 -3.863 -10.219 -11.501 313 H THR 42 H THR 42 -5.764 -5.575 -12.130 314 HA THR 42 HA THR 42 -4.728 -3.770 -10.042 315 HB THR 42 HB THR 42 -6.014 -3.059 -12.729 316 HG1 THR 42 1HG THR 42 -3.956 -3.462 -13.425 317 1HG2 THR 42 1HG2 THR 42 -4.207 -1.078 -11.778 318 2HG2 THR 42 2HG2 THR 42 -5.979 -0.940 -11.872 319 3HG2 THR 42 3HG2 THR 42 -5.209 -1.515 -10.374 320 H MET 43 H MET 43 -6.148 -2.771 -8.656 321 HA MET 43 HA MET 43 -8.789 -3.946 -8.702 322 1HB MET 43 1HB MET 43 -6.987 -2.624 -6.663 323 2HB MET 43 2HB MET 43 -8.713 -2.519 -6.379 324 1HG MET 43 1HG MET 43 -8.111 -5.239 -7.149 325 2HG MET 43 2HG MET 43 -6.966 -4.767 -5.911 326 1HE MET 43 1HE MET 43 -7.621 -3.784 -3.582 327 2HE MET 43 2HE MET 43 -8.638 -2.531 -4.332 328 3HE MET 43 3HE MET 43 -9.294 -3.542 -3.023 329 H SER 44 H SER 44 -7.446 -0.669 -7.846 330 HA SER 44 HA SER 44 -9.145 0.580 -9.723 331 1HB SER 44 1HB SER 44 -10.541 -0.034 -7.509 332 2HB SER 44 2HB SER 44 -9.782 1.424 -6.903 333 HG SER 44 HG SER 44 -11.963 1.310 -8.380 334 H SER 45 H SER 45 -8.660 2.907 -9.887 335 HA SER 45 HA SER 45 -6.177 3.527 -8.499 336 1HB SER 45 1HB SER 45 -5.824 5.168 -10.399 337 2HB SER 45 2HB SER 45 -5.833 3.483 -10.882 338 HG SER 45 HG SER 45 -7.736 3.727 -11.931 339 H ALA 46 H ALA 46 -6.090 5.330 -7.160 340 HA ALA 46 HA ALA 46 -8.214 7.310 -7.399 341 1HB ALA 46 1HB ALA 46 -7.609 6.404 -4.626 342 2HB ALA 46 2HB ALA 46 -9.148 6.930 -5.349 343 3HB ALA 46 3HB ALA 46 -8.553 5.275 -5.628 344 H VAL 47 H VAL 47 -7.366 9.335 -7.241 345 HA VAL 47 HA VAL 47 -4.577 9.614 -6.833 346 HB VAL 47 HB VAL 47 -6.825 11.620 -7.090 347 1HG1 VAL 47 1HG1 VAL 47 -4.300 12.140 -6.100 348 2HG1 VAL 47 2HG1 VAL 47 -4.124 12.496 -7.835 349 3HG1 VAL 47 3HG1 VAL 47 -5.377 13.323 -6.879 350 1HG2 VAL 47 1HG2 VAL 47 -6.603 11.505 -9.342 351 2HG2 VAL 47 2HG2 VAL 47 -4.847 11.228 -9.265 352 3HG2 VAL 47 3HG2 VAL 47 -5.973 9.879 -8.986 353 H VAL 48 H VAL 48 -3.557 9.569 -4.904 354 HA VAL 48 HA VAL 48 -4.919 10.865 -2.658 355 HB VAL 48 HB VAL 48 -4.827 9.070 -1.316 356 1HG1 VAL 48 1HG1 VAL 48 -5.549 7.112 -2.384 357 2HG1 VAL 48 2HG1 VAL 48 -5.962 8.402 -3.539 358 3HG1 VAL 48 3HG1 VAL 48 -4.519 7.394 -3.809 359 1HG2 VAL 48 1HG2 VAL 48 -2.325 8.201 -2.792 360 2HG2 VAL 48 2HG2 VAL 48 -2.442 8.898 -1.158 361 3HG2 VAL 48 3HG2 VAL 48 -3.077 7.266 -1.477 362 H GLN 49 H GLN 49 -3.329 11.432 -0.879 363 HA GLN 49 HA GLN 49 -0.771 12.054 -2.135 364 1HB GLN 49 1HB GLN 49 -2.105 13.568 0.149 365 2HB GLN 49 2HB GLN 49 -0.678 14.057 -0.742 366 1HG GLN 49 1HG GLN 49 -1.909 14.550 -2.712 367 2HG GLN 49 2HG GLN 49 -3.264 13.547 -2.237 368 1HE2 GLN 49 1HE2 GLN 49 -4.985 14.656 -1.759 369 2HE2 GLN 49 2HE2 GLN 49 -5.068 16.186 -0.951 370 H LEU 50 H LEU 50 1.006 11.066 -1.273 371 HA LEU 50 HA LEU 50 0.663 9.500 1.110 372 1HB LEU 50 1HB LEU 50 1.926 8.895 -1.045 373 2HB LEU 50 2HB LEU 50 3.213 9.912 -0.430 374 HG LEU 50 HG LEU 50 3.536 7.495 0.021 375 1HD1 LEU 50 1HD1 LEU 50 4.393 9.456 1.483 376 2HD1 LEU 50 2HD1 LEU 50 3.201 8.877 2.671 377 3HD1 LEU 50 3HD1 LEU 50 4.497 7.794 2.111 378 1HD2 LEU 50 1HD2 LEU 50 1.703 7.311 2.270 379 2HD2 LEU 50 2HD2 LEU 50 0.843 7.531 0.727 380 3HD2 LEU 50 3HD2 LEU 50 1.986 6.180 0.925 381 H TYR 51 H TYR 51 1.104 10.128 3.156 382 HA TYR 51 HA TYR 51 2.930 12.409 3.479 383 1HB TYR 51 1HB TYR 51 0.105 11.807 4.443 384 2HB TYR 51 2HB TYR 51 1.154 12.671 5.549 385 HD1 TYR 51 1HD TYR 51 -0.605 12.840 2.312 386 HD2 TYR 51 2HD TYR 51 1.806 14.974 5.129 387 HE1 TYR 51 1HE TYR 51 -1.161 15.027 1.142 388 HE2 TYR 51 2HE TYR 51 1.242 17.154 3.950 389 HH TYR 51 HH TYR 51 -0.052 17.272 0.905 390 H ALA 52 H ALA 52 3.976 12.511 5.618 391 HA ALA 52 HA ALA 52 3.995 9.891 6.949 392 1HB ALA 52 1HB ALA 52 6.503 11.459 7.007 393 2HB ALA 52 2HB ALA 52 6.246 9.721 6.723 394 3HB ALA 52 3HB ALA 52 6.036 10.881 5.389 395 H ALA 53 H ALA 53 3.839 9.944 9.172 396 HA ALA 53 HA ALA 53 3.150 12.470 10.329 397 1HB ALA 53 1HB ALA 53 3.190 9.580 11.156 398 2HB ALA 53 2HB ALA 53 3.117 10.830 12.421 399 3HB ALA 53 3HB ALA 53 1.849 10.750 11.176 400 H ASP 54 H ASP 54 5.044 13.769 10.204 401 HA ASP 54 HA ASP 54 7.557 13.166 10.654 402 1HB ASP 54 1HB ASP 54 6.495 15.475 10.314 403 2HB ASP 54 2HB ASP 54 6.200 15.524 12.040 404 H ARG 55 H ARG 55 8.992 12.931 12.521 405 HA ARG 55 HA ARG 55 8.235 11.367 14.494 406 1HB ARG 55 1HB ARG 55 10.512 12.958 13.917 407 2HB ARG 55 2HB ARG 55 10.104 13.366 15.572 408 1HG ARG 55 1HG ARG 55 11.426 11.498 15.965 409 2HG ARG 55 2HG ARG 55 9.864 10.714 15.837 410 1HD ARG 55 1HD ARG 55 10.573 9.519 14.040 411 2HD ARG 55 2HD ARG 55 10.932 10.995 13.165 412 HE ARG 55 HE ARG 55 12.843 9.344 14.683 413 1HH1 ARG 55 2HH2 ARG 55 12.238 12.444 13.134 414 2HH1 ARG 55 1HH2 ARG 55 13.918 12.835 12.969 415 1HH2 ARG 55 2HH1 ARG 55 15.060 9.859 14.467 416 2HH2 ARG 55 1HH1 ARG 55 15.533 11.354 13.732 417 H ASN 56 H ASN 56 8.800 14.902 15.177 418 HA ASN 56 HA ASN 56 7.642 15.007 17.583 419 1HB ASN 56 1HB ASN 56 8.253 16.911 15.429 420 2HB ASN 56 2HB ASN 56 6.816 17.414 16.297 421 1HD2 ASN 56 1HD2 ASN 56 10.204 17.142 16.310 422 2HD2 ASN 56 2HD2 ASN 56 10.536 17.732 17.903 423 H CYS 57 H CYS 57 5.965 16.173 14.555 424 HA CYS 57 HA CYS 57 3.777 14.663 14.522 425 1HB CYS 57 1HB CYS 57 2.070 16.144 15.799 426 2HB CYS 57 2HB CYS 57 3.012 14.967 16.693 427 HG CYS 57 HG CYS 57 2.805 17.198 18.073 428 H MET 58 H MET 58 3.349 15.224 12.413 429 HA MET 58 HA MET 58 2.093 17.403 11.610 430 1HB MET 58 1HB MET 58 4.964 18.008 12.097 431 2HB MET 58 2HB MET 58 4.455 18.442 10.478 432 1HG MET 58 1HG MET 58 2.412 19.275 12.382 433 2HG MET 58 2HG MET 58 3.971 19.883 12.902 434 1HE MET 58 1HE MET 58 2.160 20.602 8.717 435 2HE MET 58 2HE MET 58 2.706 19.012 9.302 436 3HE MET 58 3HE MET 58 1.298 19.801 10.052 437 H TRP 59 H TRP 59 1.246 15.881 10.144 438 HA TRP 59 HA TRP 59 2.566 14.074 8.631 439 1HB TRP 59 1HB TRP 59 0.260 15.711 7.583 440 2HB TRP 59 2HB TRP 59 0.693 14.065 7.166 441 HD1 TRP 59 HD TRP 59 -1.147 16.058 9.864 442 HE1 TRP 59 1HE TRP 59 -2.446 14.476 11.530 443 HE3 TRP 59 3HE TRP 59 0.881 11.720 8.153 444 HZ2 TRP 59 2HZ TRP 59 -2.479 11.652 11.936 445 HZ3 TRP 59 3HZ TRP 59 0.161 9.594 9.239 446 HH2 TRP 59 HH TRP 59 -1.458 9.514 11.068 447 H SER 60 H SER 60 3.686 14.069 6.631 448 HA SER 60 HA SER 60 4.142 16.693 5.472 449 1HB SER 60 1HB SER 60 6.563 16.159 5.216 450 2HB SER 60 2HB SER 60 6.083 16.270 6.897 451 HG SER 60 HG SER 60 7.153 14.377 6.946 452 H LYS 61 H LYS 61 3.704 16.626 3.297 453 HA LYS 61 HA LYS 61 2.978 14.251 2.035 454 1HB LYS 61 1HB LYS 61 2.933 15.636 -0.013 455 2HB LYS 61 2HB LYS 61 2.091 16.377 1.333 456 1HG LYS 61 1HG LYS 61 3.353 18.225 0.913 457 2HG LYS 61 2HG LYS 61 4.674 17.356 1.670 458 1HD LYS 61 1HD LYS 61 5.794 17.236 -0.297 459 2HD LYS 61 2HD LYS 61 4.433 16.452 -1.074 460 1HE LYS 61 1HE LYS 61 3.541 18.468 -1.881 461 2HE LYS 61 2HE LYS 61 4.253 19.426 -0.597 462 1HZ LYS 61 1HZ LYS 61 6.011 19.778 -1.853 463 2HZ LYS 61 2HZ LYS 61 6.260 18.186 -2.120 464 3HZ LYS 61 3HZ LYS 61 5.266 19.033 -3.101 465 H LYS 62 H LYS 62 4.179 12.598 1.279 466 HA LYS 62 HA LYS 62 7.039 13.066 0.976 467 1HB LYS 62 1HB LYS 62 5.636 11.057 2.206 468 2HB LYS 62 2HB LYS 62 5.971 10.333 0.645 469 1HG LYS 62 1HG LYS 62 7.861 9.783 2.006 470 2HG LYS 62 2HG LYS 62 8.418 11.066 0.950 471 1HD LYS 62 1HD LYS 62 8.146 12.738 2.714 472 2HD LYS 62 2HD LYS 62 7.340 11.583 3.758 473 1HE LYS 62 1HE LYS 62 9.821 10.369 3.043 474 2HE LYS 62 2HE LYS 62 10.200 12.042 3.397 475 1HZ LYS 62 1HZ LYS 62 8.541 11.437 5.380 476 2HZ LYS 62 2HZ LYS 62 9.262 9.989 5.155 477 3HZ LYS 62 3HZ LYS 62 10.166 11.310 5.483 478 H CYS 63 H CYS 63 4.078 12.258 -0.839 479 HA CYS 63 HA CYS 63 5.028 13.210 -3.217 480 1HB CYS 63 1HB CYS 63 6.032 10.522 -2.691 481 2HB CYS 63 2HB CYS 63 5.053 10.567 -4.143 482 HG CYS 63 HG CYS 63 6.241 12.573 -5.283 483 H SER 64 H SER 64 3.041 13.803 -4.012 484 HA SER 64 HA SER 64 0.852 11.948 -3.513 485 1HB SER 64 1HB SER 64 -0.372 14.275 -4.307 486 2HB SER 64 2HB SER 64 -0.060 13.843 -2.639 487 HG SER 64 HG SER 64 1.609 15.479 -4.349 488 H GLY 65 H GLY 65 -0.935 12.073 -5.315 489 1HA GLY 65 1HA GLY 65 -0.860 12.925 -7.794 490 2HA GLY 65 2HA GLY 65 0.432 11.744 -7.883 491 H VAL 66 H VAL 66 -0.657 10.294 -9.284 492 HA VAL 66 HA VAL 66 -3.218 9.259 -8.363 493 HB VAL 66 HB VAL 66 -2.841 10.000 -10.714 494 1HG1 VAL 66 1HG1 VAL 66 -0.817 7.777 -10.610 495 2HG1 VAL 66 2HG1 VAL 66 -1.654 8.149 -12.136 496 3HG1 VAL 66 3HG1 VAL 66 -0.685 9.401 -11.325 497 1HG2 VAL 66 1HG2 VAL 66 -3.712 7.716 -11.697 498 2HG2 VAL 66 2HG2 VAL 66 -3.755 7.235 -9.984 499 3HG2 VAL 66 3HG2 VAL 66 -4.699 8.639 -10.538 500 H ALA 67 H ALA 67 -3.533 7.150 -7.648 501 HA ALA 67 HA ALA 67 -1.130 5.469 -7.548 502 1HB ALA 67 1HB ALA 67 -2.107 6.835 -5.366 503 2HB ALA 67 2HB ALA 67 -2.960 5.278 -5.232 504 3HB ALA 67 3HB ALA 67 -1.181 5.316 -5.286 505 H CYS 68 H CYS 68 -1.680 3.126 -7.228 506 HA CYS 68 HA CYS 68 -4.423 2.454 -7.831 507 1HB CYS 68 1HB CYS 68 -2.974 2.833 -10.021 508 2HB CYS 68 2HB CYS 68 -2.374 1.229 -9.648 509 HG CYS 68 HG CYS 68 -5.578 1.851 -9.373 510 H LEU 69 H LEU 69 -4.942 0.456 -6.881 511 HA LEU 69 HA LEU 69 -2.765 -0.787 -5.396 512 1HB LEU 69 1HB LEU 69 -4.741 -0.051 -4.173 513 2HB LEU 69 2HB LEU 69 -5.766 -1.054 -5.179 514 HG LEU 69 HG LEU 69 -3.541 -2.330 -3.617 515 1HD1 LEU 69 1HD1 LEU 69 -5.838 -0.923 -2.471 516 2HD1 LEU 69 2HD1 LEU 69 -5.738 -2.631 -1.982 517 3HD1 LEU 69 3HD1 LEU 69 -4.360 -1.541 -1.696 518 1HD2 LEU 69 1HD2 LEU 69 -5.606 -4.035 -3.484 519 2HD2 LEU 69 2HD2 LEU 69 -6.040 -3.177 -4.982 520 3HD2 LEU 69 3HD2 LEU 69 -4.464 -3.992 -4.848 521 H VAL 70 H VAL 70 -1.707 -2.436 -6.347 522 HA VAL 70 HA VAL 70 -3.272 -4.122 -8.174 523 HB VAL 70 HB VAL 70 -0.343 -3.389 -8.108 524 1HG1 VAL 70 1HG1 VAL 70 0.207 -5.193 -9.309 525 2HG1 VAL 70 2HG1 VAL 70 -1.383 -5.865 -8.878 526 3HG1 VAL 70 3HG1 VAL 70 -1.178 -4.974 -10.405 527 1HG2 VAL 70 1HG2 VAL 70 -1.499 -3.027 -10.667 528 2HG2 VAL 70 2HG2 VAL 70 -2.646 -2.344 -9.491 529 3HG2 VAL 70 3HG2 VAL 70 -0.959 -1.777 -9.521 530 H LYS 71 H LYS 71 -3.305 -6.347 -7.852 531 HA LYS 71 HA LYS 71 -1.752 -7.304 -5.553 532 1HB LYS 71 1HB LYS 71 -3.952 -7.006 -4.699 533 2HB LYS 71 2HB LYS 71 -4.694 -7.698 -6.127 534 1HG LYS 71 1HG LYS 71 -2.831 -9.641 -5.094 535 2HG LYS 71 2HG LYS 71 -3.782 -9.054 -3.743 536 1HD LYS 71 1HD LYS 71 -5.712 -10.030 -4.507 537 2HD LYS 71 2HD LYS 71 -5.402 -9.577 -6.172 538 1HE LYS 71 1HE LYS 71 -4.380 -11.574 -6.665 539 2HE LYS 71 2HE LYS 71 -3.518 -11.626 -5.140 540 1HZ LYS 71 1HZ LYS 71 -4.995 -13.139 -4.563 541 2HZ LYS 71 2HZ LYS 71 -6.116 -11.956 -4.456 542 3HZ LYS 71 3HZ LYS 71 -5.978 -12.828 -5.830 543 H ASP 72 H ASP 72 -0.449 -8.977 -6.070 544 HA ASP 72 HA ASP 72 -0.546 -10.003 -8.683 545 1HB ASP 72 1HB ASP 72 1.226 -10.061 -6.391 546 2HB ASP 72 2HB ASP 72 1.010 -11.705 -6.957 547 H ASN 73 H ASN 73 -1.535 -11.926 -9.407 548 HA ASN 73 HA ASN 73 -3.245 -13.234 -7.548 549 1HB ASN 73 1HB ASN 73 -3.192 -12.823 -10.354 550 2HB ASN 73 2HB ASN 73 -2.951 -14.549 -10.172 551 1HD2 ASN 73 1HD2 ASN 73 -5.056 -11.835 -9.559 552 2HD2 ASN 73 2HD2 ASN 73 -6.507 -12.715 -9.214 553 HA PRO 74 HA PRO 74 -0.114 -16.668 -8.697 554 1HB PRO 74 1HB PRO 74 2.198 -15.989 -9.986 555 2HB PRO 74 2HB PRO 74 0.778 -16.587 -10.819 556 1HG PRO 74 1HG PRO 74 1.821 -13.825 -10.684 557 2HG PRO 74 2HG PRO 74 0.683 -14.514 -11.826 558 1HD PRO 74 1HD PRO 74 0.066 -12.801 -9.609 559 2HD PRO 74 2HD PRO 74 -1.080 -13.584 -10.678 560 H GLN 75 H GLN 75 1.537 -13.628 -8.059 561 HA GLN 75 HA GLN 75 3.229 -14.961 -6.181 562 1HB GLN 75 1HB GLN 75 2.906 -12.003 -6.859 563 2HB GLN 75 2HB GLN 75 4.146 -12.653 -5.804 564 1HG GLN 75 1HG GLN 75 4.762 -14.209 -7.824 565 2HG GLN 75 2HG GLN 75 3.797 -13.111 -8.789 566 1HE2 GLN 75 1HE2 GLN 75 6.703 -13.588 -6.987 567 2HE2 GLN 75 2HE2 GLN 75 7.520 -12.119 -7.404 568 H ARG 76 H ARG 76 0.033 -14.161 -6.098 569 HA ARG 76 HA ARG 76 -1.376 -13.383 -4.594 570 1HB ARG 76 1HB ARG 76 -0.285 -15.818 -3.867 571 2HB ARG 76 2HB ARG 76 -0.044 -14.904 -2.391 572 1HG ARG 76 1HG ARG 76 -2.196 -15.711 -2.013 573 2HG ARG 76 2HG ARG 76 -2.580 -14.178 -2.770 574 1HD ARG 76 1HD ARG 76 -3.833 -15.424 -4.225 575 2HD ARG 76 2HD ARG 76 -2.304 -15.806 -4.992 576 HE ARG 76 HE ARG 76 -2.808 -17.587 -2.760 577 1HH1 ARG 76 2HH2 ARG 76 -3.693 -16.983 -6.112 578 2HH1 ARG 76 1HH2 ARG 76 -4.115 -18.632 -6.432 579 1HH2 ARG 76 2HH1 ARG 76 -3.365 -19.763 -3.181 580 2HH2 ARG 76 1HH1 ARG 76 -3.928 -20.223 -4.752 581 H SER 77 H SER 77 0.788 -11.514 -4.842 582 HA SER 77 HA SER 77 0.999 -10.637 -2.067 583 1HB SER 77 1HB SER 77 3.168 -9.574 -2.669 584 2HB SER 77 2HB SER 77 3.210 -11.314 -2.872 585 HG SER 77 HG SER 77 4.057 -10.654 -4.777 586 H TYR 78 H TYR 78 0.887 -8.282 -1.740 587 HA TYR 78 HA TYR 78 -0.584 -6.986 -3.919 588 1HB TYR 78 1HB TYR 78 -0.228 -6.426 -0.907 589 2HB TYR 78 2HB TYR 78 -1.290 -5.506 -1.955 590 HD1 TYR 78 1HD TYR 78 -3.545 -6.051 -1.947 591 HD2 TYR 78 2HD TYR 78 -0.689 -9.083 -0.971 592 HE1 TYR 78 1HE TYR 78 -5.433 -7.679 -1.450 593 HE2 TYR 78 2HE TYR 78 -2.586 -10.701 -0.477 594 HH TYR 78 HH TYR 78 -5.041 -10.900 -1.302 595 H PHE 79 H PHE 79 -0.150 -4.718 -4.406 596 HA PHE 79 HA PHE 79 2.326 -3.645 -3.367 597 1HB PHE 79 1HB PHE 79 1.736 -4.292 -6.317 598 2HB PHE 79 2HB PHE 79 3.088 -3.301 -5.806 599 HD1 PHE 79 1HD PHE 79 2.066 -6.563 -6.615 600 HD2 PHE 79 2HD PHE 79 4.709 -4.434 -4.067 601 HE1 PHE 79 1HE PHE 79 3.480 -8.622 -6.362 602 HE2 PHE 79 2HE PHE 79 6.123 -6.493 -3.815 603 HZ PHE 79 HZ PHE 79 5.491 -8.562 -4.965 604 H LEU 80 H LEU 80 2.121 -1.465 -3.088 605 HA LEU 80 HA LEU 80 -0.014 -0.162 -4.631 606 1HB LEU 80 1HB LEU 80 0.131 -0.523 -1.892 607 2HB LEU 80 2HB LEU 80 0.730 1.109 -2.111 608 HG LEU 80 HG LEU 80 -1.715 0.560 -3.646 609 1HD1 LEU 80 1HD1 LEU 80 -3.192 0.667 -1.622 610 2HD1 LEU 80 2HD1 LEU 80 -2.318 -0.870 -1.833 611 3HD1 LEU 80 3HD1 LEU 80 -1.756 0.314 -0.629 612 1HD2 LEU 80 1HD2 LEU 80 -0.600 2.723 -1.899 613 2HD2 LEU 80 2HD2 LEU 80 -1.173 2.790 -3.583 614 3HD2 LEU 80 3HD2 LEU 80 -2.345 2.690 -2.248 615 H ARG 81 H ARG 81 0.844 1.102 -6.187 616 HA ARG 81 HA ARG 81 3.268 2.533 -5.442 617 1HB ARG 81 1HB ARG 81 2.517 1.598 -8.257 618 2HB ARG 81 2HB ARG 81 4.017 2.374 -7.791 619 1HG ARG 81 1HG ARG 81 4.735 0.470 -6.506 620 2HG ARG 81 2HG ARG 81 3.131 -0.234 -6.498 621 1HD ARG 81 1HD ARG 81 3.792 -1.462 -8.299 622 2HD ARG 81 2HD ARG 81 3.680 0.015 -9.235 623 HE ARG 81 HE ARG 81 6.196 0.152 -8.031 624 1HH1 ARG 81 2HH2 ARG 81 4.551 -2.129 -10.146 625 2HH1 ARG 81 1HH2 ARG 81 6.011 -2.680 -10.897 626 1HH2 ARG 81 2HH1 ARG 81 8.122 -0.576 -9.022 627 2HH2 ARG 81 1HH1 ARG 81 8.056 -1.792 -10.254 628 H ILE 82 H ILE 82 3.381 4.760 -6.097 629 HA ILE 82 HA ILE 82 0.826 5.806 -7.094 630 HB ILE 82 HB ILE 82 2.833 6.822 -5.121 631 1HG1 ILE 82 1HG1 ILE 82 -0.174 6.993 -4.993 632 2HG1 ILE 82 2HG1 ILE 82 0.659 5.504 -4.595 633 1HG2 ILE 82 1HG2 ILE 82 2.579 8.594 -6.834 634 2HG2 ILE 82 2HG2 ILE 82 0.821 8.579 -6.552 635 3HG2 ILE 82 3HG2 ILE 82 1.929 9.056 -5.243 636 1HD1 ILE 82 1HD1 ILE 82 0.745 6.433 -2.498 637 2HD1 ILE 82 2HD1 ILE 82 2.171 7.272 -3.154 638 3HD1 ILE 82 3HD1 ILE 82 0.594 8.094 -3.118 639 H PHE 83 H PHE 83 0.817 7.301 -8.808 640 HA PHE 83 HA PHE 83 3.424 7.620 -10.119 641 1HB PHE 83 1HB PHE 83 0.991 7.716 -11.818 642 2HB PHE 83 2HB PHE 83 2.444 6.764 -12.053 643 HD1 PHE 83 1HD PHE 83 2.550 4.966 -9.822 644 HD2 PHE 83 2HD PHE 83 -0.852 6.343 -11.952 645 HE1 PHE 83 1HE PHE 83 1.298 2.892 -9.163 646 HE2 PHE 83 2HE PHE 83 -2.103 4.269 -11.294 647 HZ PHE 83 HZ PHE 83 -1.014 2.568 -9.907 648 H ASP 84 H ASP 84 3.838 9.634 -11.125 649 HA ASP 84 HA ASP 84 2.457 11.780 -9.964 650 1HB ASP 84 1HB ASP 84 4.942 11.486 -10.963 651 2HB ASP 84 2HB ASP 84 4.190 12.128 -12.411 652 H ILE 85 H ILE 85 1.165 13.432 -11.116 653 HA ILE 85 HA ILE 85 -0.268 12.289 -13.373 654 HB ILE 85 HB ILE 85 -1.639 13.024 -11.594 655 1HG1 ILE 85 1HG1 ILE 85 -1.793 15.206 -13.688 656 2HG1 ILE 85 2HG1 ILE 85 -2.309 13.558 -13.981 657 1HG2 ILE 85 1HG2 ILE 85 -1.380 15.773 -11.331 658 2HG2 ILE 85 2HG2 ILE 85 -0.825 14.537 -10.178 659 3HG2 ILE 85 3HG2 ILE 85 0.301 15.190 -11.393 660 1HD1 ILE 85 1HD1 ILE 85 -3.366 15.316 -11.720 661 2HD1 ILE 85 2HD1 ILE 85 -4.197 15.040 -13.269 662 3HD1 ILE 85 3HD1 ILE 85 -3.942 13.686 -12.142 663 H LYS 86 H LYS 86 2.324 14.457 -12.684 664 HA LYS 86 HA LYS 86 1.954 15.723 -15.309 665 1HB LYS 86 1HB LYS 86 2.260 16.943 -12.854 666 2HB LYS 86 2HB LYS 86 3.899 16.943 -13.470 667 1HG LYS 86 1HG LYS 86 2.135 17.650 -15.646 668 2HG LYS 86 2HG LYS 86 1.697 18.629 -14.259 669 1HD LYS 86 1HD LYS 86 4.555 18.324 -15.295 670 2HD LYS 86 2HD LYS 86 3.496 19.653 -15.725 671 1HE LYS 86 1HE LYS 86 3.777 20.698 -13.702 672 2HE LYS 86 2HE LYS 86 3.650 19.201 -12.800 673 1HZ LYS 86 1HZ LYS 86 6.035 19.607 -14.394 674 2HZ LYS 86 2HZ LYS 86 5.892 20.468 -13.014 675 3HZ LYS 86 3HZ LYS 86 5.860 18.836 -12.964 676 H ASP 87 H ASP 87 4.236 14.084 -13.058 677 HA ASP 87 HA ASP 87 6.264 14.074 -15.064 678 1HB ASP 87 1HB ASP 87 6.518 14.126 -12.451 679 2HB ASP 87 2HB ASP 87 6.230 12.400 -12.525 680 H GLY 88 H GLY 88 3.454 12.250 -14.263 681 1HA GLY 88 1HA GLY 88 2.709 10.174 -14.750 682 2HA GLY 88 2HA GLY 88 3.522 10.446 -16.278 683 H LYS 89 H LYS 89 5.165 10.209 -13.089 684 HA LYS 89 HA LYS 89 6.185 7.584 -13.902 685 1HB LYS 89 1HB LYS 89 7.724 10.075 -13.292 686 2HB LYS 89 2HB LYS 89 8.376 8.551 -12.728 687 1HG LYS 89 1HG LYS 89 7.535 8.005 -15.370 688 2HG LYS 89 2HG LYS 89 8.230 9.612 -15.466 689 1HD LYS 89 1HD LYS 89 10.310 8.791 -14.357 690 2HD LYS 89 2HD LYS 89 9.615 7.188 -14.222 691 1HE LYS 89 1HE LYS 89 9.399 7.108 -16.741 692 2HE LYS 89 2HE LYS 89 10.191 8.669 -16.833 693 1HZ LYS 89 1HZ LYS 89 12.160 7.782 -16.162 694 2HZ LYS 89 2HZ LYS 89 11.492 6.531 -15.354 695 3HZ LYS 89 3HZ LYS 89 11.555 6.508 -16.987 696 H LEU 90 H LEU 90 7.438 6.608 -11.870 697 HA LEU 90 HA LEU 90 5.467 6.457 -9.832 698 1HB LEU 90 1HB LEU 90 7.763 4.989 -10.722 699 2HB LEU 90 2HB LEU 90 7.895 5.262 -8.996 700 HG LEU 90 HG LEU 90 5.472 4.043 -10.349 701 1HD1 LEU 90 1HD1 LEU 90 7.673 2.728 -10.475 702 2HD1 LEU 90 2HD1 LEU 90 7.500 2.525 -8.715 703 3HD1 LEU 90 3HD1 LEU 90 6.243 1.903 -9.812 704 1HD2 LEU 90 1HD2 LEU 90 4.427 4.257 -8.407 705 2HD2 LEU 90 2HD2 LEU 90 5.732 3.374 -7.580 706 3HD2 LEU 90 3HD2 LEU 90 5.827 5.143 -7.758 707 H LEU 91 H LEU 91 5.284 7.578 -7.952 708 HA LEU 91 HA LEU 91 7.529 9.360 -7.308 709 1HB LEU 91 1HB LEU 91 4.559 9.700 -7.195 710 2HB LEU 91 2HB LEU 91 5.565 10.572 -6.055 711 HG LEU 91 HG LEU 91 5.682 10.753 -9.077 712 1HD1 LEU 91 1HD1 LEU 91 3.938 12.121 -8.654 713 2HD1 LEU 91 2HD1 LEU 91 4.384 12.350 -6.947 714 3HD1 LEU 91 3HD1 LEU 91 5.225 13.269 -8.218 715 1HD2 LEU 91 1HD2 LEU 91 7.313 12.648 -8.587 716 2HD2 LEU 91 2HD2 LEU 91 7.478 11.943 -6.961 717 3HD2 LEU 91 3HD2 LEU 91 7.922 10.987 -8.396 718 H TRP 92 H TRP 92 5.485 6.707 -6.304 719 HA TRP 92 HA TRP 92 7.079 6.389 -3.942 720 1HB TRP 92 1HB TRP 92 5.586 7.900 -2.937 721 2HB TRP 92 2HB TRP 92 4.191 7.208 -3.742 722 HD1 TRP 92 HD TRP 92 6.543 6.521 -0.763 723 HE1 TRP 92 1HE TRP 92 5.491 4.760 0.898 724 HE3 TRP 92 3HE TRP 92 2.585 5.314 -3.717 725 HZ2 TRP 92 2HZ TRP 92 3.174 3.097 0.792 726 HZ3 TRP 92 3HZ TRP 92 0.975 3.613 -2.864 727 HH2 TRP 92 HH TRP 92 1.221 2.517 -0.693 728 H GLU 93 H GLU 93 6.922 4.193 -3.171 729 HA GLU 93 HA GLU 93 5.005 2.503 -4.480 730 1HB GLU 93 1HB GLU 93 6.684 2.344 -6.159 731 2HB GLU 93 2HB GLU 93 7.989 2.336 -4.989 732 1HG GLU 93 1HG GLU 93 6.130 0.111 -4.514 733 2HG GLU 93 2HG GLU 93 6.749 0.077 -6.153 734 H GLN 94 H GLN 94 4.383 0.819 -3.138 735 HA GLN 94 HA GLN 94 6.131 0.334 -0.856 736 1HB GLN 94 1HB GLN 94 4.361 1.636 0.070 737 2HB GLN 94 2HB GLN 94 3.139 0.833 -0.897 738 1HG GLN 94 1HG GLN 94 3.202 0.115 1.543 739 2HG GLN 94 2HG GLN 94 3.305 -1.202 0.392 740 1HE2 GLN 94 1HE2 GLN 94 4.308 -2.554 1.845 741 2HE2 GLN 94 2HE2 GLN 94 5.962 -2.386 2.329 742 H GLU 95 H GLU 95 6.454 -1.832 -0.321 743 HA GLU 95 HA GLU 95 5.244 -3.692 -2.176 744 1HB GLU 95 1HB GLU 95 7.727 -3.673 -0.477 745 2HB GLU 95 2HB GLU 95 7.034 -5.229 -0.883 746 1HG GLU 95 1HG GLU 95 7.619 -5.064 -3.097 747 2HG GLU 95 2HG GLU 95 7.194 -3.366 -3.190 748 H LEU 96 H LEU 96 3.108 -3.517 -1.049 749 HA LEU 96 HA LEU 96 2.510 -3.932 1.507 750 1HB LEU 96 1HB LEU 96 1.208 -5.118 -0.941 751 2HB LEU 96 2HB LEU 96 0.505 -5.226 0.660 752 HG LEU 96 HG LEU 96 1.175 -2.612 -0.718 753 1HD1 LEU 96 1HD1 LEU 96 -0.510 -3.722 -2.028 754 2HD1 LEU 96 2HD1 LEU 96 -1.456 -4.106 -0.571 755 3HD1 LEU 96 3HD1 LEU 96 -1.275 -2.414 -1.093 756 1HD2 LEU 96 1HD2 LEU 96 -0.763 -2.072 1.125 757 2HD2 LEU 96 2HD2 LEU 96 0.176 -3.335 1.957 758 3HD2 LEU 96 3HD2 LEU 96 0.985 -1.856 1.385 759 H TYR 97 H TYR 97 2.017 -5.782 2.884 760 HA TYR 97 HA TYR 97 3.658 -8.118 2.164 761 1HB TYR 97 1HB TYR 97 3.592 -8.177 4.861 762 2HB TYR 97 2HB TYR 97 4.725 -7.115 4.048 763 HD1 TYR 97 1HD TYR 97 1.560 -7.269 5.933 764 HD2 TYR 97 2HD TYR 97 4.442 -4.701 4.088 765 HE1 TYR 97 1HE TYR 97 0.557 -5.267 7.136 766 HE2 TYR 97 2HE TYR 97 3.429 -2.708 5.297 767 HH TYR 97 HH TYR 97 1.769 -2.799 7.841 768 H ASN 98 H ASN 98 2.955 -10.182 3.260 769 HA ASN 98 HA ASN 98 0.265 -10.605 2.711 770 1HB ASN 98 1HB ASN 98 2.549 -12.182 3.238 771 2HB ASN 98 2HB ASN 98 1.473 -12.568 4.567 772 1HD2 ASN 98 1HD2 ASN 98 1.082 -14.630 3.866 773 2HD2 ASN 98 2HD2 ASN 98 0.105 -15.015 2.488 774 H ASN 99 H ASN 99 -1.555 -10.694 4.121 775 HA ASN 99 HA ASN 99 -2.717 -10.658 5.976 776 1HB ASN 99 1HB ASN 99 -0.289 -11.623 6.986 777 2HB ASN 99 2HB ASN 99 -0.545 -10.185 7.955 778 1HD2 ASN 99 1HD2 ASN 99 -2.107 -10.115 9.467 779 2HD2 ASN 99 2HD2 ASN 99 -3.148 -11.434 9.889 780 H PHE 100 H PHE 100 -2.066 -8.339 4.427 781 HA PHE 100 HA PHE 100 -1.264 -6.241 6.217 782 1HB PHE 100 1HB PHE 100 -0.841 -6.505 3.654 783 2HB PHE 100 2HB PHE 100 -2.543 -6.158 3.421 784 HD1 PHE 100 1HD PHE 100 0.712 -4.759 4.275 785 HD2 PHE 100 2HD PHE 100 -3.426 -3.915 3.858 786 HE1 PHE 100 1HE PHE 100 1.214 -2.300 4.262 787 HE2 PHE 100 2HE PHE 100 -2.923 -1.456 3.844 788 HZ PHE 100 HZ PHE 100 -0.609 -0.678 4.046 789 H VAL 101 H VAL 101 -2.575 -4.507 6.971 790 HA VAL 101 HA VAL 101 -5.460 -4.967 6.670 791 HB VAL 101 HB VAL 101 -4.791 -5.753 8.838 792 1HG1 VAL 101 1HG1 VAL 101 -3.656 -4.336 10.481 793 2HG1 VAL 101 2HG1 VAL 101 -2.652 -4.542 9.026 794 3HG1 VAL 101 3HG1 VAL 101 -3.539 -3.021 9.286 795 1HG2 VAL 101 1HG2 VAL 101 -6.412 -4.680 10.070 796 2HG2 VAL 101 2HG2 VAL 101 -5.922 -3.060 9.515 797 3HG2 VAL 101 3HG2 VAL 101 -6.844 -4.131 8.432 798 H TYR 102 H TYR 102 -6.780 -2.993 6.876 799 HA TYR 102 HA TYR 102 -5.202 -0.598 6.211 800 1HB TYR 102 1HB TYR 102 -6.944 -2.053 4.611 801 2HB TYR 102 2HB TYR 102 -8.092 -0.985 5.395 802 HD1 TYR 102 1HD TYR 102 -4.592 -0.179 4.369 803 HD2 TYR 102 2HD TYR 102 -8.762 0.423 3.627 804 HE1 TYR 102 1HE TYR 102 -4.037 1.652 2.696 805 HE2 TYR 102 2HE TYR 102 -8.193 2.252 1.956 806 HH TYR 102 HH TYR 102 -6.578 3.166 0.772 807 H ASN 103 H ASN 103 -5.600 1.239 7.386 808 HA ASN 103 HA ASN 103 -7.783 1.008 9.302 809 1HB ASN 103 1HB ASN 103 -4.993 2.099 9.446 810 2HB ASN 103 2HB ASN 103 -6.206 3.064 10.264 811 1HD2 ASN 103 1HD2 ASN 103 -4.242 1.933 11.706 812 2HD2 ASN 103 2HD2 ASN 103 -4.829 0.635 12.692 813 H SER 104 H SER 104 -9.469 2.478 8.988 814 HA SER 104 HA SER 104 -8.795 4.973 7.661 815 1HB SER 104 1HB SER 104 -10.977 4.782 6.375 816 2HB SER 104 2HB SER 104 -9.722 3.668 5.871 817 HG SER 104 HG SER 104 -11.791 2.965 7.770 818 HA PRO 105 HA PRO 105 -11.395 5.428 11.405 819 1HB PRO 105 1HB PRO 105 -9.673 6.908 12.925 820 2HB PRO 105 2HB PRO 105 -9.819 5.168 13.063 821 1HG PRO 105 1HG PRO 105 -7.671 6.752 11.793 822 2HG PRO 105 2HG PRO 105 -7.639 5.080 12.315 823 1HD PRO 105 1HD PRO 105 -7.893 6.033 9.621 824 2HD PRO 105 2HD PRO 105 -7.977 4.366 10.155 825 H ARG 106 H ARG 106 -10.145 7.256 8.994 826 HA ARG 106 HA ARG 106 -11.622 9.561 9.981 827 1HB ARG 106 1HB ARG 106 -8.995 9.316 8.783 828 2HB ARG 106 2HB ARG 106 -10.001 10.248 7.692 829 1HG ARG 106 1HG ARG 106 -10.182 10.948 10.607 830 2HG ARG 106 2HG ARG 106 -8.683 11.357 9.798 831 1HD ARG 106 1HD ARG 106 -9.693 13.200 8.939 832 2HD ARG 106 2HD ARG 106 -10.737 12.153 7.997 833 HE ARG 106 HE ARG 106 -11.724 12.320 10.698 834 1HH1 ARG 106 2HH2 ARG 106 -11.489 14.205 7.737 835 2HH1 ARG 106 1HH2 ARG 106 -12.890 15.162 8.083 836 1HH2 ARG 106 2HH1 ARG 106 -13.573 13.583 11.156 837 2HH2 ARG 106 1HH1 ARG 106 -14.084 14.805 10.042 838 H GLY 107 H GLY 107 -12.513 10.953 8.000 839 1HA GLY 107 1HA GLY 107 -14.442 9.475 6.665 840 2HA GLY 107 2HA GLY 107 -13.914 11.094 6.249 841 H TYR 108 H TYR 108 -11.493 11.045 5.209 842 HA TYR 108 HA TYR 108 -11.393 8.805 3.318 843 1HB TYR 108 1HB TYR 108 -10.951 10.569 1.558 844 2HB TYR 108 2HB TYR 108 -12.524 10.805 2.292 845 HD1 TYR 108 1HD TYR 108 -12.864 12.640 3.961 846 HD2 TYR 108 2HD TYR 108 -9.204 12.205 1.788 847 HE1 TYR 108 1HE TYR 108 -12.223 15.028 4.548 848 HE2 TYR 108 2HE TYR 108 -8.576 14.596 2.383 849 HH TYR 108 HH TYR 108 -10.807 16.636 4.246 850 H PHE 109 H PHE 109 -9.830 8.957 5.652 851 HA PHE 109 HA PHE 109 -7.220 9.420 4.435 852 1HB PHE 109 1HB PHE 109 -8.142 11.343 5.994 853 2HB PHE 109 2HB PHE 109 -7.978 10.193 7.306 854 HD1 PHE 109 1HD PHE 109 -5.714 10.807 4.410 855 HD2 PHE 109 2HD PHE 109 -6.245 11.010 8.616 856 HE1 PHE 109 1HE PHE 109 -3.307 11.462 4.684 857 HE2 PHE 109 2HE PHE 109 -3.837 11.664 8.889 858 HZ PHE 109 HZ PHE 109 -2.397 11.882 6.919 859 H HIS 110 H HIS 110 -6.474 7.333 4.354 860 HA HIS 110 HA HIS 110 -6.939 5.686 6.719 861 1HB HIS 110 1HB HIS 110 -5.889 4.723 4.060 862 2HB HIS 110 2HB HIS 110 -6.624 3.786 5.345 863 HD2 HIS 110 2HD HIS 110 -9.261 6.089 5.487 864 HE1 HIS 110 1HE HIS 110 -10.075 4.309 1.709 865 HE2 HIS 110 2HE HIS 110 -11.017 5.690 3.685 866 H THR 111 H THR 111 -5.253 4.964 7.995 867 HA THR 111 HA THR 111 -2.605 6.004 7.253 868 HB THR 111 HB THR 111 -2.329 5.544 9.855 869 HG1 THR 111 1HG THR 111 -4.472 4.391 9.791 870 1HG2 THR 111 1HG2 THR 111 -3.498 7.793 8.373 871 2HG2 THR 111 2HG2 THR 111 -4.222 7.656 9.993 872 3HG2 THR 111 3HG2 THR 111 -2.459 7.828 9.817 873 H PHE 112 H PHE 112 -0.890 4.691 6.929 874 HA PHE 112 HA PHE 112 -1.270 1.872 7.626 875 1HB PHE 112 1HB PHE 112 -0.439 1.281 5.390 876 2HB PHE 112 2HB PHE 112 -1.726 2.448 5.154 877 HD1 PHE 112 1HD PHE 112 -0.958 4.953 4.996 878 HD2 PHE 112 2HD PHE 112 1.600 1.630 4.349 879 HE1 PHE 112 1HE PHE 112 0.605 6.413 3.680 880 HE2 PHE 112 2HE PHE 112 3.163 3.090 3.034 881 HZ PHE 112 HZ PHE 112 2.646 5.463 2.715 882 H ALA 113 H ALA 113 1.077 0.757 6.945 883 HA ALA 113 HA ALA 113 2.998 2.348 8.482 884 1HB ALA 113 1HB ALA 113 3.519 0.413 9.510 885 2HB ALA 113 2HB ALA 113 2.101 -0.300 8.706 886 3HB ALA 113 3HB ALA 113 3.711 -0.436 7.958 887 H GLY 114 H GLY 114 4.977 2.939 7.615 888 1HA GLY 114 1HA GLY 114 5.475 2.077 4.827 889 2HA GLY 114 2HA GLY 114 5.669 3.735 5.363 890 H ASP 115 H ASP 115 7.302 0.846 4.781 891 HA ASP 115 HA ASP 115 9.280 0.079 5.233 892 1HB ASP 115 1HB ASP 115 10.267 2.072 4.425 893 2HB ASP 115 2HB ASP 115 9.658 3.034 5.757 894 H THR 116 H THR 116 9.709 2.638 7.720 895 HA THR 116 HA THR 116 9.002 0.792 9.860 896 HB THR 116 HB THR 116 11.370 0.279 9.457 897 HG1 THR 116 1HG THR 116 10.576 0.687 11.689 898 1HG2 THR 116 1HG2 THR 116 12.581 1.972 8.447 899 2HG2 THR 116 2HG2 THR 116 11.533 3.244 9.119 900 3HG2 THR 116 3HG2 THR 116 12.823 2.534 10.118 901 H CYS 117 H CYS 117 8.227 3.505 8.489 902 HA CYS 117 HA CYS 117 8.083 4.925 11.046 903 1HB CYS 117 1HB CYS 117 8.402 7.041 9.974 904 2HB CYS 117 2HB CYS 117 9.731 6.004 9.498 905 HG CYS 117 HG CYS 117 8.708 5.230 7.216 906 H GLN 118 H GLN 118 6.109 6.381 11.143 907 HA GLN 118 HA GLN 118 3.904 4.964 10.045 908 1HB GLN 118 1HB GLN 118 3.804 5.847 12.333 909 2HB GLN 118 2HB GLN 118 4.072 7.481 11.758 910 1HG GLN 118 1HG GLN 118 1.908 7.711 10.946 911 2HG GLN 118 2HG GLN 118 1.764 6.015 10.528 912 1HE2 GLN 118 1HE2 GLN 118 -0.074 7.730 11.968 913 2HE2 GLN 118 2HE2 GLN 118 -0.354 7.021 13.522 914 H VAL 119 H VAL 119 2.568 5.551 8.335 915 HA VAL 119 HA VAL 119 2.995 8.192 7.163 916 HB VAL 119 HB VAL 119 2.955 7.027 4.902 917 1HG1 VAL 119 1HG1 VAL 119 5.250 7.088 6.830 918 2HG1 VAL 119 2HG1 VAL 119 5.485 6.326 5.239 919 3HG1 VAL 119 3HG1 VAL 119 4.980 8.029 5.343 920 1HG2 VAL 119 1HG2 VAL 119 2.252 4.808 5.636 921 2HG2 VAL 119 2HG2 VAL 119 3.844 4.723 4.845 922 3HG2 VAL 119 3HG2 VAL 119 3.726 4.644 6.619 923 H ALA 120 H ALA 120 1.153 9.016 6.052 924 HA ALA 120 HA ALA 120 -1.240 7.331 6.281 925 1HB ALA 120 1HB ALA 120 -2.450 9.477 6.905 926 2HB ALA 120 2HB ALA 120 -1.339 8.845 8.145 927 3HB ALA 120 3HB ALA 120 -0.850 10.224 7.130 928 H LEU 121 H LEU 121 -2.867 7.738 4.660 929 HA LEU 121 HA LEU 121 -1.869 9.365 2.427 930 1HB LEU 121 1HB LEU 121 -2.748 7.729 0.885 931 2HB LEU 121 2HB LEU 121 -1.533 7.024 1.933 932 HG LEU 121 HG LEU 121 -4.271 6.684 2.945 933 1HD1 LEU 121 1HD1 LEU 121 -5.073 5.137 1.327 934 2HD1 LEU 121 2HD1 LEU 121 -4.623 6.619 0.453 935 3HD1 LEU 121 3HD1 LEU 121 -3.549 5.199 0.409 936 1HD2 LEU 121 1HD2 LEU 121 -1.764 5.467 3.221 937 2HD2 LEU 121 2HD2 LEU 121 -3.306 4.958 3.951 938 3HD2 LEU 121 3HD2 LEU 121 -2.784 4.264 2.397 939 H ASN 122 H ASN 122 -3.389 10.651 1.352 940 HA ASN 122 HA ASN 122 -6.069 10.521 2.485 941 1HB ASN 122 1HB ASN 122 -6.044 13.114 2.126 942 2HB ASN 122 2HB ASN 122 -5.187 12.483 3.518 943 1HD2 ASN 122 1HD2 ASN 122 -4.972 14.759 1.346 944 2HD2 ASN 122 2HD2 ASN 122 -3.272 14.847 1.026 945 H PHE 123 H PHE 123 -7.603 10.331 0.837 946 HA PHE 123 HA PHE 123 -6.709 10.493 -1.877 947 1HB PHE 123 1HB PHE 123 -9.532 10.185 -0.702 948 2HB PHE 123 2HB PHE 123 -9.006 9.640 -2.283 949 HD1 PHE 123 1HD PHE 123 -7.737 7.593 -2.535 950 HD2 PHE 123 2HD PHE 123 -8.918 8.942 1.311 951 HE1 PHE 123 1HE PHE 123 -7.194 5.337 -1.578 952 HE2 PHE 123 2HE PHE 123 -8.375 6.686 2.269 953 HZ PHE 123 HZ PHE 123 -7.520 4.911 0.813 954 H ALA 124 H ALA 124 -8.014 11.706 -3.562 955 HA ALA 124 HA ALA 124 -8.299 14.434 -2.669 956 1HB ALA 124 1HB ALA 124 -7.981 14.968 -4.880 957 2HB ALA 124 2HB ALA 124 -7.262 13.340 -4.900 958 3HB ALA 124 3HB ALA 124 -8.933 13.583 -5.465 959 H ASN 125 H ASN 125 -10.292 11.625 -3.152 960 HA ASN 125 HA ASN 125 -12.614 13.368 -2.939 961 1HB ASN 125 1HB ASN 125 -12.039 11.732 -5.142 962 2HB ASN 125 2HB ASN 125 -13.104 10.715 -4.192 963 1HD2 ASN 125 1HD2 ASN 125 -12.780 13.549 -6.121 964 2HD2 ASN 125 2HD2 ASN 125 -14.445 14.019 -6.192 965 H GLU 126 H GLU 126 -14.418 12.360 -1.679 966 HA GLU 126 HA GLU 126 -13.398 10.718 0.392 967 1HB GLU 126 1HB GLU 126 -15.141 12.615 0.581 968 2HB GLU 126 2HB GLU 126 -16.309 11.478 -0.063 969 1HG GLU 126 1HG GLU 126 -15.890 9.917 1.803 970 2HG GLU 126 2HG GLU 126 -14.605 10.940 2.415 971 H GLU 127 H GLU 127 -15.924 10.346 -2.190 972 HA GLU 127 HA GLU 127 -16.682 7.802 -1.546 973 1HB GLU 127 1HB GLU 127 -17.515 9.559 -3.371 974 2HB GLU 127 2HB GLU 127 -16.484 8.632 -4.442 975 1HG GLU 127 1HG GLU 127 -17.682 6.532 -3.761 976 2HG GLU 127 2HG GLU 127 -18.725 7.475 -2.716 977 H GLU 128 H GLU 128 -14.076 8.901 -3.819 978 HA GLU 128 HA GLU 128 -13.321 6.425 -4.686 979 1HB GLU 128 1HB GLU 128 -11.917 9.077 -4.387 980 2HB GLU 128 2HB GLU 128 -10.961 7.676 -4.833 981 1HG GLU 128 1HG GLU 128 -11.863 8.974 -6.810 982 2HG GLU 128 2HG GLU 128 -12.301 7.277 -6.817 983 H ALA 129 H ALA 129 -12.736 8.046 -1.592 984 HA ALA 129 HA ALA 129 -10.636 6.229 -0.835 985 1HB ALA 129 1HB ALA 129 -10.700 8.604 -0.103 986 2HB ALA 129 2HB ALA 129 -12.213 8.277 0.777 987 3HB ALA 129 3HB ALA 129 -10.703 7.478 1.276 988 H LYS 130 H LYS 130 -14.156 6.708 -0.265 989 HA LYS 130 HA LYS 130 -14.366 4.718 1.714 990 1HB LYS 130 1HB LYS 130 -16.546 5.312 1.778 991 2HB LYS 130 2HB LYS 130 -15.973 6.692 0.864 992 1HG LYS 130 1HG LYS 130 -17.721 6.005 -0.512 993 2HG LYS 130 2HG LYS 130 -16.402 5.109 -1.239 994 1HD LYS 130 1HD LYS 130 -17.020 3.170 0.360 995 2HD LYS 130 2HD LYS 130 -18.479 4.066 0.733 996 1HE LYS 130 1HE LYS 130 -18.324 4.082 -2.102 997 2HE LYS 130 2HE LYS 130 -17.853 2.459 -1.637 998 1HZ LYS 130 1HZ LYS 130 -20.276 3.816 -0.673 999 2HZ LYS 130 2HZ LYS 130 -20.242 2.726 -1.888 1000 3HZ LYS 130 3HZ LYS 130 -19.852 2.267 -0.371 1001 H LYS 131 H LYS 131 -14.454 4.709 -1.862 1002 HA LYS 131 HA LYS 131 -15.329 1.985 -1.974 1003 1HB LYS 131 1HB LYS 131 -15.041 2.232 -4.374 1004 2HB LYS 131 2HB LYS 131 -15.917 3.601 -3.719 1005 1HG LYS 131 1HG LYS 131 -14.378 4.764 -5.001 1006 2HG LYS 131 2HG LYS 131 -13.448 4.649 -3.521 1007 1HD LYS 131 1HD LYS 131 -11.828 3.575 -4.689 1008 2HD LYS 131 2HD LYS 131 -12.922 2.219 -4.875 1009 1HE LYS 131 1HE LYS 131 -13.000 4.618 -6.753 1010 2HE LYS 131 2HE LYS 131 -11.946 3.249 -7.044 1011 1HZ LYS 131 1HZ LYS 131 -13.656 2.057 -7.733 1012 2HZ LYS 131 2HZ LYS 131 -14.591 2.439 -6.450 1013 3HZ LYS 131 3HZ LYS 131 -14.546 3.427 -7.749 1014 H PHE 132 H PHE 132 -12.278 3.739 -1.697 1015 HA PHE 132 HA PHE 132 -10.577 1.801 -2.740 1016 1HB PHE 132 1HB PHE 132 -10.433 4.334 -1.622 1017 2HB PHE 132 2HB PHE 132 -9.816 3.386 -0.282 1018 HD1 PHE 132 1HD PHE 132 -7.712 2.140 -0.506 1019 HD2 PHE 132 2HD PHE 132 -9.155 4.597 -3.650 1020 HE1 PHE 132 1HE PHE 132 -5.444 2.097 -1.580 1021 HE2 PHE 132 2HE PHE 132 -6.887 4.555 -4.724 1022 HZ PHE 132 HZ PHE 132 -5.059 3.305 -3.677 1023 H ARG 133 H ARG 133 -11.491 2.447 0.726 1024 HA ARG 133 HA ARG 133 -10.122 0.253 1.689 1025 1HB ARG 133 1HB ARG 133 -11.987 0.570 3.616 1026 2HB ARG 133 2HB ARG 133 -10.675 1.714 3.410 1027 1HG ARG 133 1HG ARG 133 -12.047 3.349 2.470 1028 2HG ARG 133 2HG ARG 133 -13.141 2.181 1.756 1029 1HD ARG 133 1HD ARG 133 -13.374 1.780 4.560 1030 2HD ARG 133 2HD ARG 133 -13.315 3.518 4.357 1031 HE ARG 133 HE ARG 133 -15.089 2.503 2.380 1032 1HH1 ARG 133 2HH2 ARG 133 -14.906 2.764 5.885 1033 2HH1 ARG 133 1HH2 ARG 133 -16.624 2.814 6.098 1034 1HH2 ARG 133 2HH1 ARG 133 -17.357 2.568 2.662 1035 2HH2 ARG 133 1HH1 ARG 133 -18.027 2.702 4.254 1036 H LYS 134 H LYS 134 -13.529 0.715 0.596 1037 HA LYS 134 HA LYS 134 -14.548 -1.715 1.454 1038 1HB LYS 134 1HB LYS 134 -15.399 0.513 -0.092 1039 2HB LYS 134 2HB LYS 134 -15.739 -0.920 -1.040 1040 1HG LYS 134 1HG LYS 134 -16.999 -1.928 0.798 1041 2HG LYS 134 2HG LYS 134 -16.497 -0.665 1.906 1042 1HD LYS 134 1HD LYS 134 -17.640 0.980 0.200 1043 2HD LYS 134 2HD LYS 134 -18.418 -0.454 -0.439 1044 1HE LYS 134 1HE LYS 134 -18.580 -0.413 2.488 1045 2HE LYS 134 2HE LYS 134 -19.232 1.067 1.813 1046 1HZ LYS 134 1HZ LYS 134 -20.173 -0.949 0.229 1047 2HZ LYS 134 2HZ LYS 134 -20.325 -1.514 1.753 1048 3HZ LYS 134 3HZ LYS 134 -21.021 -0.098 1.334 1049 H ALA 135 H ALA 135 -12.668 -0.821 -1.472 1050 HA ALA 135 HA ALA 135 -13.013 -3.309 -2.758 1051 1HB ALA 135 1HB ALA 135 -11.394 -0.836 -3.066 1052 2HB ALA 135 2HB ALA 135 -10.681 -2.309 -3.766 1053 3HB ALA 135 3HB ALA 135 -12.298 -1.771 -4.281 1054 H VAL 136 H VAL 136 -10.383 -1.910 -0.686 1055 HA VAL 136 HA VAL 136 -8.634 -4.007 -0.790 1056 HB VAL 136 HB VAL 136 -9.350 -2.083 1.422 1057 1HG1 VAL 136 1HG1 VAL 136 -8.341 -3.897 2.577 1058 2HG1 VAL 136 2HG1 VAL 136 -7.119 -4.129 1.305 1059 3HG1 VAL 136 3HG1 VAL 136 -7.057 -2.686 2.346 1060 1HG2 VAL 136 1HG2 VAL 136 -7.172 -2.161 -0.686 1061 2HG2 VAL 136 2HG2 VAL 136 -8.467 -0.955 -0.489 1062 3HG2 VAL 136 3HG2 VAL 136 -7.152 -1.055 0.708 1063 H THR 137 H THR 137 -11.011 -3.480 1.914 1064 HA THR 137 HA THR 137 -10.740 -5.957 3.062 1065 HB THR 137 HB THR 137 -12.957 -5.417 4.067 1066 HG1 THR 137 1HG THR 137 -12.842 -3.630 1.756 1067 1HG2 THR 137 1HG2 THR 137 -12.374 -3.383 5.092 1068 2HG2 THR 137 2HG2 THR 137 -10.786 -3.876 4.458 1069 3HG2 THR 137 3HG2 THR 137 -11.765 -2.681 3.574 1070 H ASP 138 H ASP 138 -12.957 -4.991 0.380 1071 HA ASP 138 HA ASP 138 -14.358 -7.291 0.196 1072 1HB ASP 138 1HB ASP 138 -13.551 -5.106 -1.639 1073 2HB ASP 138 2HB ASP 138 -13.909 -6.603 -2.477 1074 H LEU 139 H LEU 139 -11.153 -6.422 -1.274 1075 HA LEU 139 HA LEU 139 -10.839 -8.902 -2.602 1076 1HB LEU 139 1HB LEU 139 -9.793 -6.781 -3.292 1077 2HB LEU 139 2HB LEU 139 -8.801 -6.803 -1.849 1078 HG LEU 139 HG LEU 139 -8.728 -9.022 -3.902 1079 1HD1 LEU 139 1HD1 LEU 139 -7.106 -6.469 -3.814 1080 2HD1 LEU 139 2HD1 LEU 139 -6.640 -7.913 -4.744 1081 3HD1 LEU 139 3HD1 LEU 139 -8.155 -7.058 -5.127 1082 1HD2 LEU 139 1HD2 LEU 139 -6.270 -8.933 -2.758 1083 2HD2 LEU 139 2HD2 LEU 139 -7.287 -8.404 -1.397 1084 3HD2 LEU 139 3HD2 LEU 139 -7.607 -9.963 -2.193 1085 H LEU 140 H LEU 140 -9.618 -7.517 0.508 1086 HA LEU 140 HA LEU 140 -8.046 -9.697 1.210 1087 1HB LEU 140 1HB LEU 140 -9.218 -7.338 2.529 1088 2HB LEU 140 2HB LEU 140 -8.878 -8.684 3.599 1089 HG LEU 140 HG LEU 140 -6.538 -8.572 2.216 1090 1HD1 LEU 140 1HD1 LEU 140 -6.153 -6.644 1.190 1091 2HD1 LEU 140 2HD1 LEU 140 -7.845 -6.178 1.494 1092 3HD1 LEU 140 3HD1 LEU 140 -6.575 -5.730 2.658 1093 1HD2 LEU 140 1HD2 LEU 140 -6.476 -6.686 4.428 1094 2HD2 LEU 140 2HD2 LEU 140 -7.419 -8.144 4.821 1095 3HD2 LEU 140 3HD2 LEU 140 -5.733 -8.296 4.271 1096 H GLY 141 H GLY 141 -11.554 -9.144 1.356 1097 1HA GLY 141 1HA GLY 141 -12.172 -11.233 3.163 1098 2HA GLY 141 2HA GLY 141 -13.258 -10.451 2.032 1099 H ARG 142 H ARG 142 -12.144 -11.010 -0.467 1100 HA ARG 142 HA ARG 142 -12.996 -13.631 -0.808 1101 1HB ARG 142 1HB ARG 142 -12.151 -11.391 -2.464 1102 2HB ARG 142 2HB ARG 142 -11.399 -12.855 -3.066 1103 1HG ARG 142 1HG ARG 142 -13.472 -13.907 -3.508 1104 2HG ARG 142 2HG ARG 142 -14.344 -12.901 -2.368 1105 1HD ARG 142 1HD ARG 142 -14.516 -11.104 -3.858 1106 2HD ARG 142 2HD ARG 142 -13.033 -11.511 -4.697 1107 HE ARG 142 HE ARG 142 -14.835 -13.643 -5.174 1108 1HH1 ARG 142 2HH2 ARG 142 -14.616 -10.202 -5.879 1109 2HH1 ARG 142 1HH2 ARG 142 -15.545 -10.311 -7.336 1110 1HH2 ARG 142 2HH1 ARG 142 -16.062 -13.787 -7.097 1111 2HH2 ARG 142 1HH1 ARG 142 -16.373 -12.364 -8.034 1112 H ARG 143 H ARG 143 -9.743 -12.070 -0.684 1113 HA ARG 143 HA ARG 143 -7.783 -12.881 -0.236 1114 1HB ARG 143 1HB ARG 143 -9.060 -14.469 1.349 1115 2HB ARG 143 2HB ARG 143 -8.978 -15.675 0.079 1116 1HG ARG 143 1HG ARG 143 -6.333 -14.755 0.250 1117 2HG ARG 143 2HG ARG 143 -6.863 -14.745 1.921 1118 1HD ARG 143 1HD ARG 143 -7.822 -17.158 1.349 1119 2HD ARG 143 2HD ARG 143 -6.698 -17.090 0.006 1120 HE ARG 143 HE ARG 143 -6.017 -17.395 2.824 1121 1HH1 ARG 143 2HH2 ARG 143 -4.835 -16.208 -0.270 1122 2HH1 ARG 143 1HH2 ARG 143 -3.165 -16.371 0.160 1123 1HH2 ARG 143 2HH1 ARG 143 -3.814 -17.612 3.392 1124 2HH2 ARG 143 1HH1 ARG 143 -2.580 -17.176 2.257 1125 H GLN 144 H GLN 144 -9.582 -15.546 -1.961 1126 HA GLN 144 HA GLN 144 -7.329 -15.875 -3.706 1127 1HB GLN 144 1HB GLN 144 -8.578 -17.807 -4.587 1128 2HB GLN 144 2HB GLN 144 -8.529 -17.858 -2.835 1129 1HG GLN 144 1HG GLN 144 -10.795 -17.672 -2.659 1130 2HG GLN 144 2HG GLN 144 -10.857 -16.339 -3.795 1131 1HE2 GLN 144 1HE2 GLN 144 -12.833 -18.142 -3.833 1132 2HE2 GLN 144 2HE2 GLN 144 -12.770 -19.153 -5.237 Start of MODEL 20 1 1H ASP 1 H ASP 1 -6.670 19.577 10.337 2 HA ASP 1 HA ASP 1 -9.110 19.268 11.770 3 1HB ASP 1 1HB ASP 1 -9.086 18.979 8.729 4 2HB ASP 1 2HB ASP 1 -10.434 18.574 9.772 5 H LEU 2 H LEU 2 -6.364 18.224 9.856 6 HA LEU 2 HA LEU 2 -6.990 15.521 9.520 7 1HB LEU 2 1HB LEU 2 -4.526 17.195 9.476 8 2HB LEU 2 2HB LEU 2 -4.334 15.456 9.586 9 HG LEU 2 HG LEU 2 -4.190 16.227 7.277 10 1HD1 LEU 2 1HD1 LEU 2 -5.814 14.697 6.261 11 2HD1 LEU 2 2HD1 LEU 2 -5.040 13.981 7.695 12 3HD1 LEU 2 3HD1 LEU 2 -6.701 14.612 7.802 13 1HD2 LEU 2 1HD2 LEU 2 -6.755 17.578 7.954 14 2HD2 LEU 2 2HD2 LEU 2 -5.405 18.112 6.924 15 3HD2 LEU 2 3HD2 LEU 2 -6.579 16.925 6.308 16 HA PRO 3 HA PRO 3 -6.359 13.857 13.452 17 1HB PRO 3 1HB PRO 3 -5.386 11.361 12.917 18 2HB PRO 3 2HB PRO 3 -7.084 11.774 12.790 19 1HG PRO 3 1HG PRO 3 -5.112 11.358 10.628 20 2HG PRO 3 2HG PRO 3 -6.861 11.348 10.534 21 1HD PRO 3 1HD PRO 3 -5.110 13.460 9.697 22 2HD PRO 3 2HD PRO 3 -6.862 13.495 9.711 23 HA PRO 4 HA PRO 4 -2.406 14.375 14.894 24 1HB PRO 4 1HB PRO 4 -2.411 13.012 17.263 25 2HB PRO 4 2HB PRO 4 -3.095 14.614 17.078 26 1HG PRO 4 1HG PRO 4 -4.491 12.020 17.319 27 2HG PRO 4 2HG PRO 4 -5.127 13.635 17.559 28 1HD PRO 4 1HD PRO 4 -5.536 11.952 15.273 29 2HD PRO 4 2HD PRO 4 -6.073 13.609 15.465 30 HA PRO 5 HA PRO 5 -0.066 11.097 13.513 31 1HB PRO 5 1HB PRO 5 2.435 12.157 13.821 32 2HB PRO 5 2HB PRO 5 1.420 12.484 12.430 33 1HG PRO 5 1HG PRO 5 2.039 14.240 14.726 34 2HG PRO 5 2HG PRO 5 1.396 14.673 13.154 35 1HD PRO 5 1HD PRO 5 -0.070 14.474 15.611 36 2HD PRO 5 2HD PRO 5 -0.730 14.794 14.020 37 H GLU 6 H GLU 6 0.452 9.171 14.349 38 HA GLU 6 HA GLU 6 1.279 9.341 17.139 39 1HB GLU 6 1HB GLU 6 0.269 7.176 17.482 40 2HB GLU 6 2HB GLU 6 -0.898 8.165 16.627 41 1HG GLU 6 1HG GLU 6 0.080 7.131 14.444 42 2HG GLU 6 2HG GLU 6 0.865 5.961 15.486 43 HA PRO 7 HA PRO 7 5.059 7.557 15.955 44 1HB PRO 7 1HB PRO 7 5.974 6.674 18.374 45 2HB PRO 7 2HB PRO 7 6.103 8.342 17.852 46 1HG PRO 7 1HG PRO 7 4.247 7.156 19.822 47 2HG PRO 7 2HG PRO 7 4.681 8.838 19.598 48 1HD PRO 7 1HD PRO 7 2.247 7.570 18.767 49 2HD PRO 7 2HD PRO 7 2.731 9.222 18.442 50 H TYR 8 H TYR 8 5.391 5.835 14.714 51 HA TYR 8 HA TYR 8 4.119 3.378 15.674 52 1HB TYR 8 1HB TYR 8 3.628 4.338 13.373 53 2HB TYR 8 2HB TYR 8 5.341 4.321 13.005 54 HD1 TYR 8 1HD TYR 8 6.498 2.230 12.474 55 HD2 TYR 8 2HD TYR 8 2.319 2.265 13.393 56 HE1 TYR 8 1HE TYR 8 6.266 -0.123 11.539 57 HE2 TYR 8 2HE TYR 8 2.101 -0.088 12.453 58 HH TYR 8 HH TYR 8 4.360 -2.117 12.139 59 H VAL 9 H VAL 9 5.296 1.624 16.318 60 HA VAL 9 HA VAL 9 8.192 1.769 15.832 61 HB VAL 9 HB VAL 9 6.664 0.777 18.244 62 1HG1 VAL 9 1HG1 VAL 9 8.498 -0.286 19.044 63 2HG1 VAL 9 2HG1 VAL 9 8.923 -0.407 17.320 64 3HG1 VAL 9 3HG1 VAL 9 9.627 0.885 18.322 65 1HG2 VAL 9 1HG2 VAL 9 7.423 3.340 17.642 66 2HG2 VAL 9 2HG2 VAL 9 7.198 2.701 19.289 67 3HG2 VAL 9 3HG2 VAL 9 8.826 2.756 18.569 68 H GLN 10 H GLN 10 9.186 -0.057 15.005 69 HA GLN 10 HA GLN 10 7.780 -1.764 13.490 70 1HB GLN 10 1HB GLN 10 10.488 -1.478 14.347 71 2HB GLN 10 2HB GLN 10 10.086 -3.171 14.557 72 1HG GLN 10 1HG GLN 10 10.923 -2.880 12.292 73 2HG GLN 10 2HG GLN 10 9.207 -3.221 12.190 74 1HE2 GLN 10 1HE2 GLN 10 11.418 -1.553 10.719 75 2HE2 GLN 10 2HE2 GLN 10 10.607 -0.081 10.298 76 H THR 11 H THR 11 6.593 -3.644 13.744 77 HA THR 11 HA THR 11 6.615 -4.847 16.432 78 HB THR 11 HB THR 11 4.116 -5.164 16.055 79 HG1 THR 11 1HG THR 11 3.387 -3.627 14.262 80 1HG2 THR 11 1HG2 THR 11 5.435 -2.809 16.873 81 2HG2 THR 11 2HG2 THR 11 4.292 -2.252 15.628 82 3HG2 THR 11 3HG2 THR 11 3.696 -3.142 17.049 83 H THR 12 H THR 12 5.338 -5.467 13.088 84 HA THR 12 HA THR 12 6.965 -7.803 12.850 85 HB THR 12 HB THR 12 5.058 -8.484 14.448 86 HG1 THR 12 1HG THR 12 5.195 -9.613 11.739 87 1HG2 THR 12 1HG2 THR 12 3.369 -8.669 11.944 88 2HG2 THR 12 2HG2 THR 12 2.853 -8.683 13.647 89 3HG2 THR 12 3HG2 THR 12 3.335 -7.153 12.875 90 H LYS 13 H LYS 13 7.579 -7.799 10.790 91 HA LYS 13 HA LYS 13 5.546 -7.164 8.794 92 1HB LYS 13 1HB LYS 13 8.131 -5.701 9.244 93 2HB LYS 13 2HB LYS 13 7.514 -5.879 7.614 94 1HG LYS 13 1HG LYS 13 5.785 -4.416 7.968 95 2HG LYS 13 2HG LYS 13 5.430 -5.066 9.556 96 1HD LYS 13 1HD LYS 13 6.267 -3.047 10.271 97 2HD LYS 13 2HD LYS 13 7.808 -3.868 10.119 98 1HE LYS 13 1HE LYS 13 8.463 -2.503 8.421 99 2HE LYS 13 2HE LYS 13 6.986 -2.799 7.525 100 1HZ LYS 13 1HZ LYS 13 7.449 -0.470 8.384 101 2HZ LYS 13 2HZ LYS 13 5.936 -1.059 8.567 102 3HZ LYS 13 3HZ LYS 13 6.958 -1.023 9.840 103 H SER 14 H SER 14 5.808 -8.275 6.819 104 HA SER 14 HA SER 14 8.116 -9.599 6.112 105 1HB SER 14 1HB SER 14 6.766 -10.952 8.203 106 2HB SER 14 2HB SER 14 6.355 -11.844 6.751 107 HG SER 14 HG SER 14 8.698 -11.851 8.141 108 H TYR 15 H TYR 15 7.892 -10.374 3.969 109 HA TYR 15 HA TYR 15 5.168 -10.145 2.886 110 1HB TYR 15 1HB TYR 15 7.877 -10.073 1.441 111 2HB TYR 15 2HB TYR 15 6.353 -9.453 0.841 112 HD1 TYR 15 1HD TYR 15 5.315 -7.430 2.094 113 HD2 TYR 15 2HD TYR 15 9.392 -8.649 2.539 114 HE1 TYR 15 1HE TYR 15 5.917 -5.122 2.973 115 HE2 TYR 15 2HE TYR 15 9.979 -6.337 3.417 116 HH TYR 15 HH TYR 15 8.519 -4.462 4.668 117 HA PRO 16 HA PRO 16 5.421 -14.319 1.763 118 1HB PRO 16 1HB PRO 16 3.476 -14.436 -0.154 119 2HB PRO 16 2HB PRO 16 3.132 -14.473 1.563 120 1HG PRO 16 1HG PRO 16 2.770 -12.251 -0.352 121 2HG PRO 16 2HG PRO 16 2.056 -12.460 1.236 122 1HD PRO 16 1HD PRO 16 4.234 -10.723 0.548 123 2HD PRO 16 2HD PRO 16 3.596 -11.020 2.153 124 H SER 17 H SER 17 5.727 -11.889 -0.688 125 HA SER 17 HA SER 17 6.601 -13.652 -2.669 126 1HB SER 17 1HB SER 17 5.855 -11.552 -3.442 127 2HB SER 17 2HB SER 17 6.756 -10.666 -2.228 128 HG SER 17 HG SER 17 8.732 -11.224 -3.339 129 H LYS 18 H LYS 18 8.192 -11.893 0.004 130 HA LYS 18 HA LYS 18 10.678 -13.278 -0.709 131 1HB LYS 18 1HB LYS 18 10.779 -10.853 -1.294 132 2HB LYS 18 2HB LYS 18 10.482 -10.458 0.386 133 1HG LYS 18 1HG LYS 18 12.533 -11.833 1.006 134 2HG LYS 18 2HG LYS 18 12.855 -12.041 -0.704 135 1HD LYS 18 1HD LYS 18 13.427 -9.789 -1.022 136 2HD LYS 18 2HD LYS 18 12.426 -9.232 0.303 137 1HE LYS 18 1HE LYS 18 14.012 -10.026 1.961 138 2HE LYS 18 2HE LYS 18 14.917 -10.929 0.763 139 1HZ LYS 18 1HZ LYS 18 15.410 -8.790 -0.308 140 2HZ LYS 18 2HZ LYS 18 14.685 -8.006 0.927 141 3HZ LYS 18 3HZ LYS 18 16.024 -8.901 1.202 142 H LEU 19 H LEU 19 9.258 -14.802 0.779 143 HA LEU 19 HA LEU 19 9.635 -14.045 3.574 144 1HB LEU 19 1HB LEU 19 7.412 -14.731 2.952 145 2HB LEU 19 2HB LEU 19 8.014 -16.217 2.245 146 HG LEU 19 HG LEU 19 8.533 -17.152 4.360 147 1HD1 LEU 19 1HD1 LEU 19 8.001 -15.643 6.461 148 2HD1 LEU 19 2HD1 LEU 19 9.593 -15.604 5.667 149 3HD1 LEU 19 3HD1 LEU 19 8.398 -14.328 5.329 150 1HD2 LEU 19 1HD2 LEU 19 6.356 -16.932 5.614 151 2HD2 LEU 19 2HD2 LEU 19 5.884 -15.696 4.424 152 3HD2 LEU 19 3HD2 LEU 19 6.216 -17.362 3.893 153 H ALA 20 H ALA 20 11.434 -15.379 1.148 154 HA ALA 20 HA ALA 20 13.405 -16.426 1.270 155 1HB ALA 20 1HB ALA 20 14.466 -16.648 3.274 156 2HB ALA 20 2HB ALA 20 13.068 -15.737 3.892 157 3HB ALA 20 3HB ALA 20 13.100 -17.511 4.019 158 H ARG 21 H ARG 21 10.476 -17.531 0.963 159 HA ARG 21 HA ARG 21 10.732 -20.242 1.667 160 1HB ARG 21 1HB ARG 21 8.822 -18.749 -0.194 161 2HB ARG 21 2HB ARG 21 8.672 -20.466 0.124 162 1HG ARG 21 1HG ARG 21 8.968 -19.093 2.657 163 2HG ARG 21 2HG ARG 21 7.724 -18.277 1.730 164 1HD ARG 21 1HD ARG 21 6.265 -20.038 1.904 165 2HD ARG 21 2HD ARG 21 7.510 -21.228 1.579 166 HE ARG 21 HE ARG 21 8.153 -20.361 4.121 167 1HH1 ARG 21 2HH2 ARG 21 5.191 -21.573 2.660 168 2HH1 ARG 21 1HH2 ARG 21 4.592 -22.257 4.134 169 1HH2 ARG 21 2HH1 ARG 21 7.364 -21.263 6.067 170 2HH2 ARG 21 1HH1 ARG 21 5.836 -22.080 6.085 171 H ASN 22 H ASN 22 10.441 -22.021 -0.135 172 HA ASN 22 HA ASN 22 12.667 -21.811 -1.817 173 1HB ASN 22 1HB ASN 22 10.818 -23.854 -0.932 174 2HB ASN 22 2HB ASN 22 10.887 -23.931 -2.682 175 1HD2 ASN 22 1HD2 ASN 22 11.808 -26.068 -1.924 176 2HD2 ASN 22 2HD2 ASN 22 13.529 -26.183 -1.764 177 H GLU 23 H GLU 23 9.069 -22.002 -2.363 178 HA GLU 23 HA GLU 23 9.323 -21.618 -5.141 179 1HB GLU 23 1HB GLU 23 7.412 -22.821 -4.150 180 2HB GLU 23 2HB GLU 23 6.914 -21.379 -3.286 181 1HG GLU 23 1HG GLU 23 5.557 -21.069 -5.113 182 2HG GLU 23 2HG GLU 23 6.997 -20.358 -5.814 183 H SER 24 H SER 24 9.335 -19.737 -6.349 184 HA SER 24 HA SER 24 8.171 -17.382 -5.559 185 1HB SER 24 1HB SER 24 10.915 -17.794 -4.503 186 2HB SER 24 2HB SER 24 10.707 -16.282 -5.364 187 HG SER 24 HG SER 24 9.987 -16.807 -2.852 188 H ARG 25 H ARG 25 7.765 -16.477 -7.541 189 HA ARG 25 HA ARG 25 9.659 -17.103 -9.640 190 1HB ARG 25 1HB ARG 25 7.212 -17.683 -9.946 191 2HB ARG 25 2HB ARG 25 6.821 -15.977 -9.851 192 1HG ARG 25 1HG ARG 25 8.087 -15.487 -11.873 193 2HG ARG 25 2HG ARG 25 8.788 -17.093 -11.897 194 1HD ARG 25 1HD ARG 25 5.772 -16.782 -11.994 195 2HD ARG 25 2HD ARG 25 6.713 -16.540 -13.453 196 HE ARG 25 HE ARG 25 7.592 -18.973 -12.255 197 1HH1 ARG 25 2HH2 ARG 25 4.725 -17.655 -13.816 198 2HH1 ARG 25 1HH2 ARG 25 4.184 -19.192 -14.404 199 1HH2 ARG 25 2HH1 ARG 25 6.876 -21.001 -13.031 200 2HH2 ARG 25 1HH1 ARG 25 5.414 -21.106 -13.955 201 H GLY 26 H GLY 26 11.240 -15.448 -9.086 202 1HA GLY 26 1HA GLY 26 10.430 -12.694 -8.861 203 2HA GLY 26 2HA GLY 26 12.060 -13.339 -8.863 204 H SER 27 H SER 27 11.785 -11.057 -10.266 205 HA SER 27 HA SER 27 11.745 -12.019 -13.018 206 1HB SER 27 1HB SER 27 10.245 -9.811 -11.778 207 2HB SER 27 2HB SER 27 11.190 -9.267 -13.149 208 HG SER 27 HG SER 27 10.154 -11.440 -14.104 209 H GLY 28 H GLY 28 13.600 -11.547 -14.192 210 1HA GLY 28 1HA GLY 28 15.926 -10.718 -12.955 211 2HA GLY 28 2HA GLY 28 15.636 -10.733 -14.684 212 H SER 29 H SER 29 17.281 -8.770 -13.971 213 HA SER 29 HA SER 29 15.551 -6.428 -13.783 214 1HB SER 29 1HB SER 29 18.074 -7.142 -12.408 215 2HB SER 29 2HB SER 29 18.104 -5.538 -13.114 216 HG SER 29 HG SER 29 17.264 -5.603 -10.897 217 H GLY 30 H GLY 30 15.499 -5.201 -15.631 218 1HA GLY 30 1HA GLY 30 17.045 -3.963 -17.154 219 2HA GLY 30 2HA GLY 30 17.741 -5.526 -17.533 220 H SER 31 H SER 31 14.942 -3.386 -17.937 221 HA SER 31 HA SER 31 14.242 -4.848 -20.284 222 1HB SER 31 1HB SER 31 12.882 -5.492 -17.896 223 2HB SER 31 2HB SER 31 11.788 -4.412 -18.738 224 HG SER 31 HG SER 31 13.008 -6.422 -20.323 225 H LEU 32 H LEU 32 12.670 -3.598 -21.640 226 HA LEU 32 HA LEU 32 12.447 -0.810 -20.748 227 1HB LEU 32 1HB LEU 32 14.297 -1.366 -22.458 228 2HB LEU 32 2HB LEU 32 12.986 -1.585 -23.601 229 HG LEU 32 HG LEU 32 13.078 0.962 -22.031 230 1HD1 LEU 32 1HD1 LEU 32 14.785 1.951 -23.199 231 2HD1 LEU 32 2HD1 LEU 32 15.416 0.295 -23.035 232 3HD1 LEU 32 3HD1 LEU 32 14.667 0.815 -24.564 233 1HD2 LEU 32 1HD2 LEU 32 12.286 0.300 -24.881 234 2HD2 LEU 32 2HD2 LEU 32 11.182 0.512 -23.501 235 3HD2 LEU 32 3HD2 LEU 32 12.140 1.891 -24.094 236 H PHE 33 H PHE 33 11.348 -3.046 -23.400 237 HA PHE 33 HA PHE 33 8.668 -2.934 -22.554 238 1HB PHE 33 1HB PHE 33 9.773 -0.889 -24.438 239 2HB PHE 33 2HB PHE 33 8.376 -1.723 -25.089 240 HD1 PHE 33 1HD PHE 33 6.528 -2.063 -22.989 241 HD2 PHE 33 2HD PHE 33 9.217 1.165 -23.580 242 HE1 PHE 33 1HE PHE 33 5.014 -0.561 -21.667 243 HE2 PHE 33 2HE PHE 33 7.703 2.669 -22.257 244 HZ PHE 33 HZ PHE 33 5.619 1.787 -21.316 245 H SER 34 H SER 34 8.865 -5.209 -22.849 246 HA SER 34 HA SER 34 8.089 -6.122 -25.320 247 1HB SER 34 1HB SER 34 10.715 -5.552 -25.564 248 2HB SER 34 2HB SER 34 10.878 -7.149 -24.860 249 HG SER 34 HG SER 34 9.803 -8.076 -26.601 250 H PHE 35 H PHE 35 6.632 -7.037 -23.670 251 HA PHE 35 HA PHE 35 7.256 -9.672 -23.028 252 1HB PHE 35 1HB PHE 35 8.606 -8.060 -21.336 253 2HB PHE 35 2HB PHE 35 7.041 -7.873 -20.571 254 HD1 PHE 35 1HD PHE 35 5.803 -10.128 -19.998 255 HD2 PHE 35 2HD PHE 35 9.982 -9.791 -20.654 256 HE1 PHE 35 1HE PHE 35 6.176 -12.254 -18.718 257 HE2 PHE 35 2HE PHE 35 10.354 -11.916 -19.372 258 HZ PHE 35 HZ PHE 35 8.446 -13.123 -18.420 259 H LEU 36 H LEU 36 5.191 -10.113 -23.845 260 HA LEU 36 HA LEU 36 2.924 -8.628 -23.034 261 1HB LEU 36 1HB LEU 36 1.738 -9.965 -24.464 262 2HB LEU 36 2HB LEU 36 3.341 -9.987 -25.171 263 HG LEU 36 HG LEU 36 2.602 -12.196 -25.323 264 1HD1 LEU 36 1HD1 LEU 36 4.071 -13.493 -23.890 265 2HD1 LEU 36 2HD1 LEU 36 4.887 -12.005 -24.428 266 3HD1 LEU 36 3HD1 LEU 36 4.240 -12.116 -22.773 267 1HD2 LEU 36 1HD2 LEU 36 1.912 -12.637 -22.475 268 2HD2 LEU 36 2HD2 LEU 36 0.796 -11.610 -23.408 269 3HD2 LEU 36 3HD2 LEU 36 1.156 -13.264 -23.959 270 H GLY 37 H GLY 37 0.935 -10.014 -22.117 271 1HA GLY 37 1HA GLY 37 0.415 -11.820 -20.585 272 2HA GLY 37 2HA GLY 37 1.938 -11.515 -19.773 273 H LYS 38 H LYS 38 0.858 -11.149 -17.735 274 HA LYS 38 HA LYS 38 0.017 -8.419 -17.441 275 1HB LYS 38 1HB LYS 38 -1.989 -10.285 -17.948 276 2HB LYS 38 2HB LYS 38 -1.999 -10.136 -16.202 277 1HG LYS 38 1HG LYS 38 -3.213 -8.236 -16.499 278 2HG LYS 38 2HG LYS 38 -1.722 -7.482 -17.025 279 1HD LYS 38 1HD LYS 38 -2.716 -7.135 -19.036 280 2HD LYS 38 2HD LYS 38 -2.594 -8.861 -19.315 281 1HE LYS 38 1HE LYS 38 -4.836 -8.933 -17.849 282 2HE LYS 38 2HE LYS 38 -4.967 -7.258 -18.346 283 1HZ LYS 38 1HZ LYS 38 -4.283 -8.711 -20.584 284 2HZ LYS 38 2HZ LYS 38 -5.477 -9.548 -19.848 285 3HZ LYS 38 3HZ LYS 38 -5.713 -7.987 -20.266 286 H LYS 39 H LYS 39 -0.397 -11.529 -15.604 287 HA LYS 39 HA LYS 39 0.533 -12.239 -13.726 288 1HB LYS 39 1HB LYS 39 2.623 -10.903 -14.929 289 2HB LYS 39 2HB LYS 39 2.551 -10.131 -13.359 290 1HG LYS 39 1HG LYS 39 3.139 -12.058 -12.220 291 2HG LYS 39 2HG LYS 39 2.281 -13.109 -13.328 292 1HD LYS 39 1HD LYS 39 4.176 -12.339 -15.047 293 2HD LYS 39 2HD LYS 39 5.062 -11.948 -13.586 294 1HE LYS 39 1HE LYS 39 5.713 -14.167 -13.845 295 2HE LYS 39 2HE LYS 39 4.301 -14.401 -12.836 296 1HZ LYS 39 1HZ LYS 39 3.136 -15.234 -14.549 297 2HZ LYS 39 2HZ LYS 39 3.842 -14.296 -15.684 298 3HZ LYS 39 3HZ LYS 39 4.616 -15.620 -15.122 299 H CYS 40 H CYS 40 0.901 -8.627 -13.521 300 HA CYS 40 HA CYS 40 -0.503 -8.752 -10.986 301 1HB CYS 40 1HB CYS 40 0.662 -6.245 -12.196 302 2HB CYS 40 2HB CYS 40 0.379 -6.625 -10.509 303 HG CYS 40 HG CYS 40 2.964 -6.779 -12.059 304 H VAL 41 H VAL 41 -2.533 -7.727 -10.655 305 HA VAL 41 HA VAL 41 -3.755 -6.592 -13.074 306 HB VAL 41 HB VAL 41 -4.398 -9.010 -12.209 307 1HG1 VAL 41 1HG1 VAL 41 -6.113 -7.185 -10.491 308 2HG1 VAL 41 2HG1 VAL 41 -6.399 -8.923 -10.744 309 3HG1 VAL 41 3HG1 VAL 41 -4.919 -8.376 -9.920 310 1HG2 VAL 41 1HG2 VAL 41 -6.533 -7.005 -13.003 311 2HG2 VAL 41 2HG2 VAL 41 -5.371 -7.740 -14.133 312 3HG2 VAL 41 3HG2 VAL 41 -6.547 -8.764 -13.275 313 H THR 42 H THR 42 -4.880 -4.679 -12.791 314 HA THR 42 HA THR 42 -4.592 -3.470 -10.154 315 HB THR 42 HB THR 42 -5.457 -2.316 -12.859 316 HG1 THR 42 1HG THR 42 -3.219 -1.977 -13.065 317 1HG2 THR 42 1HG2 THR 42 -4.054 -0.738 -10.719 318 2HG2 THR 42 2HG2 THR 42 -5.276 -0.202 -11.899 319 3HG2 THR 42 3HG2 THR 42 -5.776 -1.092 -10.441 320 H MET 43 H MET 43 -6.230 -2.923 -8.794 321 HA MET 43 HA MET 43 -8.776 -4.080 -9.491 322 1HB MET 43 1HB MET 43 -7.336 -3.193 -6.995 323 2HB MET 43 2HB MET 43 -9.084 -3.089 -6.944 324 1HG MET 43 1HG MET 43 -8.552 -5.621 -8.109 325 2HG MET 43 2HG MET 43 -7.371 -5.467 -6.825 326 1HE MET 43 1HE MET 43 -8.754 -4.942 -3.802 327 2HE MET 43 2HE MET 43 -8.259 -3.729 -5.006 328 3HE MET 43 3HE MET 43 -9.918 -3.717 -4.362 329 H SER 44 H SER 44 -7.521 -0.934 -8.153 330 HA SER 44 HA SER 44 -9.325 0.476 -9.833 331 1HB SER 44 1HB SER 44 -10.654 -0.272 -7.707 332 2HB SER 44 2HB SER 44 -9.700 0.924 -6.854 333 HG SER 44 HG SER 44 -10.713 2.563 -7.887 334 H SER 45 H SER 45 -8.960 2.895 -9.628 335 HA SER 45 HA SER 45 -6.422 3.431 -8.301 336 1HB SER 45 1HB SER 45 -5.604 4.658 -10.180 337 2HB SER 45 2HB SER 45 -6.234 3.160 -10.838 338 HG SER 45 HG SER 45 -6.963 5.708 -11.443 339 H ALA 46 H ALA 46 -6.382 5.337 -7.093 340 HA ALA 46 HA ALA 46 -8.489 7.291 -7.580 341 1HB ALA 46 1HB ALA 46 -7.950 6.362 -4.759 342 2HB ALA 46 2HB ALA 46 -9.378 7.194 -5.419 343 3HB ALA 46 3HB ALA 46 -9.102 5.474 -5.785 344 H VAL 47 H VAL 47 -7.804 9.396 -7.218 345 HA VAL 47 HA VAL 47 -4.993 9.741 -6.896 346 HB VAL 47 HB VAL 47 -7.287 11.701 -7.101 347 1HG1 VAL 47 1HG1 VAL 47 -4.919 12.383 -6.083 348 2HG1 VAL 47 2HG1 VAL 47 -4.478 12.448 -7.806 349 3HG1 VAL 47 3HG1 VAL 47 -5.812 13.453 -7.191 350 1HG2 VAL 47 1HG2 VAL 47 -7.191 11.512 -9.343 351 2HG2 VAL 47 2HG2 VAL 47 -5.414 11.410 -9.359 352 3HG2 VAL 47 3HG2 VAL 47 -6.386 9.957 -9.023 353 H VAL 48 H VAL 48 -3.875 10.006 -5.033 354 HA VAL 48 HA VAL 48 -5.232 11.218 -2.774 355 HB VAL 48 HB VAL 48 -5.192 9.452 -1.383 356 1HG1 VAL 48 1HG1 VAL 48 -5.876 7.402 -2.450 357 2HG1 VAL 48 2HG1 VAL 48 -6.512 8.767 -3.397 358 3HG1 VAL 48 3HG1 VAL 48 -5.086 7.874 -3.973 359 1HG2 VAL 48 1HG2 VAL 48 -2.833 8.295 -2.907 360 2HG2 VAL 48 2HG2 VAL 48 -2.757 9.219 -1.388 361 3HG2 VAL 48 3HG2 VAL 48 -3.543 7.622 -1.420 362 H GLN 49 H GLN 49 -3.580 11.662 -0.970 363 HA GLN 49 HA GLN 49 -0.994 12.132 -2.241 364 1HB GLN 49 1HB GLN 49 -0.813 14.185 -0.851 365 2HB GLN 49 2HB GLN 49 -2.195 14.246 -1.926 366 1HG GLN 49 1HG GLN 49 -3.478 13.179 0.164 367 2HG GLN 49 2HG GLN 49 -2.141 13.858 1.072 368 1HE2 GLN 49 1HE2 GLN 49 -3.360 15.371 2.115 369 2HE2 GLN 49 2HE2 GLN 49 -4.041 16.768 1.352 370 H LEU 50 H LEU 50 0.681 11.053 -1.293 371 HA LEU 50 HA LEU 50 0.204 9.693 1.188 372 1HB LEU 50 1HB LEU 50 1.334 8.433 -0.404 373 2HB LEU 50 2HB LEU 50 2.395 9.752 -0.855 374 HG LEU 50 HG LEU 50 2.753 9.017 1.941 375 1HD1 LEU 50 1HD1 LEU 50 3.394 6.844 -0.067 376 2HD1 LEU 50 2HD1 LEU 50 3.645 6.815 1.695 377 3HD1 LEU 50 3HD1 LEU 50 1.993 6.811 1.031 378 1HD2 LEU 50 1HD2 LEU 50 4.916 9.491 1.501 379 2HD2 LEU 50 2HD2 LEU 50 4.914 8.611 -0.046 380 3HD2 LEU 50 3HD2 LEU 50 4.226 10.250 0.046 381 H TYR 51 H TYR 51 0.863 10.281 3.210 382 HA TYR 51 HA TYR 51 2.672 12.593 3.368 383 1HB TYR 51 1HB TYR 51 -0.091 11.995 4.425 384 2HB TYR 51 2HB TYR 51 0.999 12.692 5.607 385 HD1 TYR 51 1HD TYR 51 -0.868 13.293 2.504 386 HD2 TYR 51 2HD TYR 51 1.826 14.991 5.362 387 HE1 TYR 51 1HE TYR 51 -1.350 15.616 1.589 388 HE2 TYR 51 2HE TYR 51 1.335 17.308 4.438 389 HH TYR 51 HH TYR 51 -0.593 18.389 3.225 390 H ALA 52 H ALA 52 3.802 12.770 5.496 391 HA ALA 52 HA ALA 52 4.060 10.134 6.771 392 1HB ALA 52 1HB ALA 52 6.435 11.933 6.659 393 2HB ALA 52 2HB ALA 52 6.334 10.161 6.527 394 3HB ALA 52 3HB ALA 52 5.943 11.182 5.123 395 H ALA 53 H ALA 53 3.755 10.160 8.950 396 HA ALA 53 HA ALA 53 3.217 12.705 10.181 397 1HB ALA 53 1HB ALA 53 2.887 9.797 10.839 398 2HB ALA 53 2HB ALA 53 2.943 10.957 12.188 399 3HB ALA 53 3HB ALA 53 1.705 11.126 10.920 400 H ASP 54 H ASP 54 5.603 13.325 9.619 401 HA ASP 54 HA ASP 54 7.208 12.511 11.912 402 1HB ASP 54 1HB ASP 54 9.167 12.462 10.589 403 2HB ASP 54 2HB ASP 54 7.967 11.712 9.556 404 H ARG 55 H ARG 55 9.315 14.396 11.562 405 HA ARG 55 HA ARG 55 9.877 16.451 11.917 406 1HB ARG 55 1HB ARG 55 7.845 16.667 9.836 407 2HB ARG 55 2HB ARG 55 7.763 18.079 10.869 408 1HG ARG 55 1HG ARG 55 10.486 17.864 10.566 409 2HG ARG 55 2HG ARG 55 9.954 17.188 9.039 410 1HD ARG 55 1HD ARG 55 8.571 19.224 8.607 411 2HD ARG 55 2HD ARG 55 9.071 19.900 10.145 412 HE ARG 55 HE ARG 55 11.488 19.402 8.962 413 1HH1 ARG 55 2HH2 ARG 55 8.587 21.003 7.780 414 2HH1 ARG 55 1HH2 ARG 55 9.449 22.055 6.709 415 1HH2 ARG 55 2HH1 ARG 55 12.628 20.791 7.549 416 2HH2 ARG 55 1HH1 ARG 55 11.763 21.934 6.575 417 H ASN 56 H ASN 56 9.445 16.075 14.239 418 HA ASN 56 HA ASN 56 8.594 16.542 16.178 419 1HB ASN 56 1HB ASN 56 8.840 18.936 15.121 420 2HB ASN 56 2HB ASN 56 7.096 18.901 14.952 421 1HD2 ASN 56 1HD2 ASN 56 7.007 20.684 16.369 422 2HD2 ASN 56 2HD2 ASN 56 7.122 20.497 18.087 423 H CYS 57 H CYS 57 7.056 14.794 14.353 424 HA CYS 57 HA CYS 57 5.145 13.710 14.328 425 1HB CYS 57 1HB CYS 57 4.858 15.230 16.864 426 2HB CYS 57 2HB CYS 57 3.366 14.631 16.167 427 HG CYS 57 HG CYS 57 4.654 13.061 18.065 428 H MET 58 H MET 58 4.820 14.695 12.194 429 HA MET 58 HA MET 58 2.405 16.174 12.108 430 1HB MET 58 1HB MET 58 5.054 17.510 11.780 431 2HB MET 58 2HB MET 58 3.953 17.820 10.451 432 1HG MET 58 1HG MET 58 2.380 18.086 12.813 433 2HG MET 58 2HG MET 58 3.895 18.891 13.169 434 1HE MET 58 1HE MET 58 0.984 19.925 9.757 435 2HE MET 58 2HE MET 58 1.762 18.331 9.899 436 3HE MET 58 3HE MET 58 0.628 18.882 11.155 437 H TRP 59 H TRP 59 1.545 16.340 9.873 438 HA TRP 59 HA TRP 59 2.390 14.083 8.322 439 1HB TRP 59 1HB TRP 59 0.305 16.151 7.627 440 2HB TRP 59 2HB TRP 59 0.475 14.535 6.970 441 HD1 TRP 59 HD TRP 59 -1.289 16.365 9.712 442 HE1 TRP 59 1HE TRP 59 -2.590 14.758 11.352 443 HE3 TRP 59 3HE TRP 59 0.869 12.070 8.055 444 HZ2 TRP 59 2HZ TRP 59 -2.570 11.934 11.763 445 HZ3 TRP 59 3HZ TRP 59 0.172 9.931 9.128 446 HH2 TRP 59 HH TRP 59 -1.485 9.819 10.922 447 H SER 60 H SER 60 3.956 14.152 6.768 448 HA SER 60 HA SER 60 4.493 16.779 5.617 449 1HB SER 60 1HB SER 60 6.364 16.150 7.032 450 2HB SER 60 2HB SER 60 6.424 14.539 6.343 451 HG SER 60 HG SER 60 6.634 16.273 4.281 452 H LYS 61 H LYS 61 3.715 16.779 3.537 453 HA LYS 61 HA LYS 61 3.130 14.445 2.125 454 1HB LYS 61 1HB LYS 61 2.658 15.925 0.269 455 2HB LYS 61 2HB LYS 61 2.034 16.614 1.755 456 1HG LYS 61 1HG LYS 61 3.131 18.504 1.065 457 2HG LYS 61 2HG LYS 61 4.543 17.719 1.749 458 1HD LYS 61 1HD LYS 61 4.935 16.646 -0.550 459 2HD LYS 61 2HD LYS 61 3.660 17.676 -1.173 460 1HE LYS 61 1HE LYS 61 5.091 19.429 -1.337 461 2HE LYS 61 2HE LYS 61 5.483 19.319 0.367 462 1HZ LYS 61 1HZ LYS 61 7.310 18.114 -0.066 463 2HZ LYS 61 2HZ LYS 61 6.674 17.332 -1.351 464 3HZ LYS 61 3HZ LYS 61 7.230 18.858 -1.517 465 H LYS 62 H LYS 62 4.355 13.063 0.949 466 HA LYS 62 HA LYS 62 7.150 13.826 0.574 467 1HB LYS 62 1HB LYS 62 5.691 11.264 0.994 468 2HB LYS 62 2HB LYS 62 7.096 11.207 -0.050 469 1HG LYS 62 1HG LYS 62 7.660 12.827 2.321 470 2HG LYS 62 2HG LYS 62 7.071 11.245 2.792 471 1HD LYS 62 1HD LYS 62 9.008 10.235 2.161 472 2HD LYS 62 2HD LYS 62 8.975 11.000 0.585 473 1HE LYS 62 1HE LYS 62 10.411 12.677 1.221 474 2HE LYS 62 2HE LYS 62 9.651 12.873 2.787 475 1HZ LYS 62 1HZ LYS 62 11.156 10.442 2.330 476 2HZ LYS 62 2HZ LYS 62 12.002 11.824 2.540 477 3HZ LYS 62 3HZ LYS 62 10.977 11.309 3.702 478 H CYS 63 H CYS 63 4.140 12.961 -1.121 479 HA CYS 63 HA CYS 63 4.711 14.273 -3.404 480 1HB CYS 63 1HB CYS 63 6.211 11.756 -3.327 481 2HB CYS 63 2HB CYS 63 5.159 11.865 -4.725 482 HG CYS 63 HG CYS 63 6.028 13.973 -5.747 483 H SER 64 H SER 64 2.671 14.452 -4.285 484 HA SER 64 HA SER 64 0.814 12.322 -3.617 485 1HB SER 64 1HB SER 64 -0.659 14.443 -4.710 486 2HB SER 64 2HB SER 64 -0.485 14.069 -3.006 487 HG SER 64 HG SER 64 0.842 15.745 -2.733 488 H GLY 65 H GLY 65 -1.006 12.031 -5.389 489 1HA GLY 65 1HA GLY 65 -0.866 12.656 -8.000 490 2HA GLY 65 2HA GLY 65 0.356 11.407 -7.867 491 H VAL 66 H VAL 66 -1.058 10.118 -9.318 492 HA VAL 66 HA VAL 66 -3.550 9.220 -8.137 493 HB VAL 66 HB VAL 66 -2.252 8.403 -10.739 494 1HG1 VAL 66 1HG1 VAL 66 -4.171 7.041 -9.730 495 2HG1 VAL 66 2HG1 VAL 66 -5.198 8.459 -10.052 496 3HG1 VAL 66 3HG1 VAL 66 -4.383 7.625 -11.397 497 1HG2 VAL 66 1HG2 VAL 66 -2.647 10.429 -11.578 498 2HG2 VAL 66 2HG2 VAL 66 -4.371 10.261 -11.169 499 3HG2 VAL 66 3HG2 VAL 66 -3.245 10.982 -9.994 500 H ALA 67 H ALA 67 -3.786 7.348 -7.006 501 HA ALA 67 HA ALA 67 -1.517 5.479 -7.107 502 1HB ALA 67 1HB ALA 67 -2.102 6.985 -4.963 503 2HB ALA 67 2HB ALA 67 -3.262 5.664 -4.680 504 3HB ALA 67 3HB ALA 67 -1.522 5.309 -4.812 505 H CYS 68 H CYS 68 -2.008 3.280 -7.297 506 HA CYS 68 HA CYS 68 -4.851 2.621 -7.357 507 1HB CYS 68 1HB CYS 68 -4.548 1.298 -9.407 508 2HB CYS 68 2HB CYS 68 -4.246 3.002 -9.683 509 HG CYS 68 HG CYS 68 -2.287 0.404 -9.621 510 H LEU 69 H LEU 69 -5.276 0.451 -6.650 511 HA LEU 69 HA LEU 69 -2.974 -0.786 -5.346 512 1HB LEU 69 1HB LEU 69 -4.363 -1.503 -3.730 513 2HB LEU 69 2HB LEU 69 -5.263 -0.090 -4.245 514 HG LEU 69 HG LEU 69 -6.492 -1.795 -5.830 515 1HD1 LEU 69 1HD1 LEU 69 -6.327 -3.847 -3.794 516 2HD1 LEU 69 2HD1 LEU 69 -6.133 -3.969 -5.559 517 3HD1 LEU 69 3HD1 LEU 69 -4.738 -3.549 -4.538 518 1HD2 LEU 69 1HD2 LEU 69 -7.259 -2.113 -2.959 519 2HD2 LEU 69 2HD2 LEU 69 -7.238 -0.478 -3.663 520 3HD2 LEU 69 3HD2 LEU 69 -8.262 -1.742 -4.384 521 H VAL 70 H VAL 70 -2.026 -2.543 -6.225 522 HA VAL 70 HA VAL 70 -3.611 -4.028 -8.204 523 HB VAL 70 HB VAL 70 -0.623 -3.591 -8.037 524 1HG1 VAL 70 1HG1 VAL 70 -1.441 -5.825 -8.964 525 2HG1 VAL 70 2HG1 VAL 70 -2.151 -4.892 -10.303 526 3HG1 VAL 70 3HG1 VAL 70 -0.394 -4.855 -10.026 527 1HG2 VAL 70 1HG2 VAL 70 -2.570 -2.556 -10.120 528 2HG2 VAL 70 2HG2 VAL 70 -1.994 -1.599 -8.734 529 3HG2 VAL 70 3HG2 VAL 70 -0.839 -2.174 -9.960 530 H LYS 71 H LYS 71 -3.508 -6.331 -8.161 531 HA LYS 71 HA LYS 71 -2.157 -7.447 -5.817 532 1HB LYS 71 1HB LYS 71 -4.156 -8.839 -5.356 533 2HB LYS 71 2HB LYS 71 -4.425 -7.128 -5.091 534 1HG LYS 71 1HG LYS 71 -5.993 -6.992 -6.750 535 2HG LYS 71 2HG LYS 71 -5.031 -7.940 -7.866 536 1HD LYS 71 1HD LYS 71 -5.966 -9.649 -5.699 537 2HD LYS 71 2HD LYS 71 -7.327 -8.786 -6.388 538 1HE LYS 71 1HE LYS 71 -6.040 -9.520 -8.692 539 2HE LYS 71 2HE LYS 71 -5.543 -10.837 -7.648 540 1HZ LYS 71 1HZ LYS 71 -7.525 -11.695 -7.991 541 2HZ LYS 71 2HZ LYS 71 -8.216 -10.458 -7.179 542 3HZ LYS 71 3HZ LYS 71 -8.050 -10.379 -8.802 543 H ASP 72 H ASP 72 -0.741 -8.950 -6.506 544 HA ASP 72 HA ASP 72 -0.950 -9.920 -9.155 545 1HB ASP 72 1HB ASP 72 0.867 -10.954 -6.934 546 2HB ASP 72 2HB ASP 72 1.138 -11.082 -8.661 547 H ASN 73 H ASN 73 -1.943 -11.854 -9.794 548 HA ASN 73 HA ASN 73 -3.268 -13.361 -7.790 549 1HB ASN 73 1HB ASN 73 -3.015 -14.256 -10.681 550 2HB ASN 73 2HB ASN 73 -4.387 -14.426 -9.605 551 1HD2 ASN 73 1HD2 ASN 73 -5.837 -12.795 -9.343 552 2HD2 ASN 73 2HD2 ASN 73 -5.871 -11.351 -10.300 553 HA PRO 74 HA PRO 74 0.040 -16.427 -9.415 554 1HB PRO 74 1HB PRO 74 2.204 -15.423 -10.748 555 2HB PRO 74 2HB PRO 74 0.801 -16.088 -11.561 556 1HG PRO 74 1HG PRO 74 1.588 -13.257 -11.240 557 2HG PRO 74 2HG PRO 74 0.458 -13.959 -12.380 558 1HD PRO 74 1HD PRO 74 -0.192 -12.500 -9.998 559 2HD PRO 74 2HD PRO 74 -1.318 -13.302 -11.075 560 H GLN 75 H GLN 75 1.421 -13.300 -8.587 561 HA GLN 75 HA GLN 75 3.361 -14.588 -6.943 562 1HB GLN 75 1HB GLN 75 2.657 -11.715 -7.591 563 2HB GLN 75 2HB GLN 75 3.741 -12.066 -6.260 564 1HG GLN 75 1HG GLN 75 4.891 -13.655 -8.131 565 2HG GLN 75 2HG GLN 75 4.151 -12.489 -9.210 566 1HE2 GLN 75 1HE2 GLN 75 6.317 -11.934 -9.789 567 2HE2 GLN 75 2HE2 GLN 75 7.240 -10.823 -8.834 568 H ARG 76 H ARG 76 0.125 -14.319 -6.588 569 HA ARG 76 HA ARG 76 -1.284 -13.924 -4.944 570 1HB ARG 76 1HB ARG 76 0.820 -15.820 -3.907 571 2HB ARG 76 2HB ARG 76 -0.396 -15.277 -2.767 572 1HG ARG 76 1HG ARG 76 -1.648 -16.998 -3.605 573 2HG ARG 76 2HG ARG 76 -1.989 -15.896 -4.923 574 1HD ARG 76 1HD ARG 76 -0.966 -17.316 -6.368 575 2HD ARG 76 2HD ARG 76 0.547 -17.091 -5.515 576 HE ARG 76 HE ARG 76 -0.856 -18.907 -3.931 577 1HH1 ARG 76 2HH2 ARG 76 0.164 -18.806 -7.297 578 2HH1 ARG 76 1HH2 ARG 76 0.300 -20.528 -7.440 579 1HH2 ARG 76 2HH1 ARG 76 -0.675 -21.177 -4.118 580 2HH2 ARG 76 1HH1 ARG 76 -0.181 -21.885 -5.619 581 H SER 77 H SER 77 0.431 -11.663 -5.166 582 HA SER 77 HA SER 77 0.345 -10.779 -2.429 583 1HB SER 77 1HB SER 77 2.655 -9.674 -2.764 584 2HB SER 77 2HB SER 77 2.632 -11.395 -2.438 585 HG SER 77 HG SER 77 2.433 -11.069 -5.128 586 H TYR 78 H TYR 78 0.443 -8.347 -2.291 587 HA TYR 78 HA TYR 78 -0.457 -7.167 -4.831 588 1HB TYR 78 1HB TYR 78 -0.883 -6.097 -1.996 589 2HB TYR 78 2HB TYR 78 -1.888 -5.814 -3.404 590 HD1 TYR 78 1HD TYR 78 -2.580 -6.852 -0.497 591 HD2 TYR 78 2HD TYR 78 -2.082 -8.758 -4.296 592 HE1 TYR 78 1HE TYR 78 -4.135 -8.727 0.231 593 HE2 TYR 78 2HE TYR 78 -3.640 -10.626 -3.554 594 HH TYR 78 HH TYR 78 -5.676 -10.373 -1.017 595 H PHE 79 H PHE 79 -0.046 -4.724 -4.956 596 HA PHE 79 HA PHE 79 2.278 -3.857 -3.473 597 1HB PHE 79 1HB PHE 79 2.123 -4.166 -6.533 598 2HB PHE 79 2HB PHE 79 3.419 -3.320 -5.711 599 HD1 PHE 79 1HD PHE 79 1.863 -6.635 -6.195 600 HD2 PHE 79 2HD PHE 79 5.234 -4.505 -4.740 601 HE1 PHE 79 1HE PHE 79 3.131 -8.790 -5.976 602 HE2 PHE 79 2HE PHE 79 6.501 -6.661 -4.521 603 HZ PHE 79 HZ PHE 79 5.434 -8.778 -5.142 604 H LEU 80 H LEU 80 2.080 -1.709 -3.007 605 HA LEU 80 HA LEU 80 0.012 -0.257 -4.473 606 1HB LEU 80 1HB LEU 80 0.865 -0.412 -1.718 607 2HB LEU 80 2HB LEU 80 0.914 1.248 -2.281 608 HG LEU 80 HG LEU 80 -1.527 -0.481 -2.688 609 1HD1 LEU 80 1HD1 LEU 80 -2.233 1.051 -0.572 610 2HD1 LEU 80 2HD1 LEU 80 -1.647 -0.625 -0.444 611 3HD1 LEU 80 3HD1 LEU 80 -0.525 0.732 -0.184 612 1HD2 LEU 80 1HD2 LEU 80 -1.941 2.352 -2.217 613 2HD2 LEU 80 2HD2 LEU 80 -0.832 2.070 -3.581 614 3HD2 LEU 80 3HD2 LEU 80 -2.452 1.332 -3.582 615 H ARG 81 H ARG 81 0.649 1.026 -6.112 616 HA ARG 81 HA ARG 81 3.258 2.277 -5.791 617 1HB ARG 81 1HB ARG 81 1.987 1.315 -8.406 618 2HB ARG 81 2HB ARG 81 3.538 2.121 -8.273 619 1HG ARG 81 1HG ARG 81 3.237 -0.264 -6.511 620 2HG ARG 81 2HG ARG 81 3.183 -0.621 -8.227 621 1HD ARG 81 1HD ARG 81 5.327 0.881 -8.404 622 2HD ARG 81 2HD ARG 81 5.427 0.713 -6.662 623 HE ARG 81 HE ARG 81 6.084 -1.315 -8.612 624 1HH1 ARG 81 2HH2 ARG 81 4.706 -0.902 -5.401 625 2HH1 ARG 81 1HH2 ARG 81 5.158 -2.485 -4.864 626 1HH2 ARG 81 2HH1 ARG 81 6.681 -3.405 -7.904 627 2HH2 ARG 81 1HH1 ARG 81 6.289 -3.919 -6.297 628 H ILE 82 H ILE 82 3.365 4.508 -6.323 629 HA ILE 82 HA ILE 82 0.793 5.690 -7.110 630 HB ILE 82 HB ILE 82 2.876 6.516 -5.127 631 1HG1 ILE 82 1HG1 ILE 82 -0.129 6.736 -4.929 632 2HG1 ILE 82 2HG1 ILE 82 0.700 5.225 -4.610 633 1HG2 ILE 82 1HG2 ILE 82 2.878 8.570 -6.064 634 2HG2 ILE 82 2HG2 ILE 82 1.340 8.308 -6.920 635 3HG2 ILE 82 3HG2 ILE 82 1.337 8.726 -5.190 636 1HD1 ILE 82 1HD1 ILE 82 0.888 6.034 -2.480 637 2HD1 ILE 82 2HD1 ILE 82 2.240 6.983 -3.140 638 3HD1 ILE 82 3HD1 ILE 82 0.624 7.716 -2.998 639 H PHE 83 H PHE 83 0.762 7.196 -8.783 640 HA PHE 83 HA PHE 83 3.349 7.551 -10.128 641 1HB PHE 83 1HB PHE 83 1.238 7.912 -11.983 642 2HB PHE 83 2HB PHE 83 2.236 6.477 -11.853 643 HD1 PHE 83 1HD PHE 83 1.415 4.957 -9.690 644 HD2 PHE 83 2HD PHE 83 -1.013 7.483 -12.085 645 HE1 PHE 83 1HE PHE 83 -0.606 3.609 -9.062 646 HE2 PHE 83 2HE PHE 83 -3.035 6.134 -11.457 647 HZ PHE 83 HZ PHE 83 -2.807 4.213 -9.953 648 H ASP 84 H ASP 84 3.910 9.623 -10.793 649 HA ASP 84 HA ASP 84 2.525 11.718 -9.551 650 1HB ASP 84 1HB ASP 84 5.045 11.500 -10.237 651 2HB ASP 84 2HB ASP 84 4.523 12.030 -11.823 652 H ILE 85 H ILE 85 1.656 13.682 -10.800 653 HA ILE 85 HA ILE 85 0.293 12.755 -13.224 654 HB ILE 85 HB ILE 85 -1.213 13.309 -11.459 655 1HG1 ILE 85 1HG1 ILE 85 -1.252 15.650 -13.376 656 2HG1 ILE 85 2HG1 ILE 85 -1.684 14.021 -13.858 657 1HG2 ILE 85 1HG2 ILE 85 -1.274 15.704 -10.588 658 2HG2 ILE 85 2HG2 ILE 85 0.030 14.655 -9.984 659 3HG2 ILE 85 3HG2 ILE 85 0.373 15.868 -11.239 660 1HD1 ILE 85 1HD1 ILE 85 -3.039 15.749 -11.748 661 2HD1 ILE 85 2HD1 ILE 85 -3.742 15.104 -13.251 662 3HD1 ILE 85 3HD1 ILE 85 -3.355 14.005 -11.906 663 H LYS 86 H LYS 86 2.928 14.596 -12.133 664 HA LYS 86 HA LYS 86 2.757 16.325 -14.501 665 1HB LYS 86 1HB LYS 86 3.096 17.056 -11.857 666 2HB LYS 86 2HB LYS 86 4.743 17.034 -12.456 667 1HG LYS 86 1HG LYS 86 2.799 18.289 -14.325 668 2HG LYS 86 2HG LYS 86 2.955 19.129 -12.795 669 1HD LYS 86 1HD LYS 86 4.947 20.001 -13.432 670 2HD LYS 86 2HD LYS 86 5.607 18.396 -13.678 671 1HE LYS 86 1HE LYS 86 5.706 18.935 -15.889 672 2HE LYS 86 2HE LYS 86 3.971 18.693 -15.913 673 1HZ LYS 86 1HZ LYS 86 4.679 20.863 -16.748 674 2HZ LYS 86 2HZ LYS 86 3.655 20.994 -15.483 675 3HZ LYS 86 3HZ LYS 86 5.252 21.258 -15.270 676 H ASP 87 H ASP 87 4.843 14.154 -12.520 677 HA ASP 87 HA ASP 87 6.824 14.235 -14.606 678 1HB ASP 87 1HB ASP 87 7.054 14.054 -11.902 679 2HB ASP 87 2HB ASP 87 7.021 12.343 -12.278 680 H GLY 88 H GLY 88 3.993 12.499 -13.695 681 1HA GLY 88 1HA GLY 88 3.141 10.464 -14.189 682 2HA GLY 88 2HA GLY 88 3.841 10.776 -15.765 683 H LYS 89 H LYS 89 5.328 10.049 -12.526 684 HA LYS 89 HA LYS 89 6.327 7.546 -13.615 685 1HB LYS 89 1HB LYS 89 8.003 9.930 -12.991 686 2HB LYS 89 2HB LYS 89 8.604 8.378 -12.444 687 1HG LYS 89 1HG LYS 89 8.550 7.460 -14.691 688 2HG LYS 89 2HG LYS 89 7.628 8.820 -15.298 689 1HD LYS 89 1HD LYS 89 9.871 10.064 -14.192 690 2HD LYS 89 2HD LYS 89 10.545 8.580 -14.837 691 1HE LYS 89 1HE LYS 89 9.318 9.101 -17.036 692 2HE LYS 89 2HE LYS 89 8.930 10.672 -16.364 693 1HZ LYS 89 1HZ LYS 89 11.120 11.284 -16.371 694 2HZ LYS 89 2HZ LYS 89 11.696 9.756 -16.354 695 3HZ LYS 89 3HZ LYS 89 11.057 10.372 -17.725 696 H LEU 90 H LEU 90 7.717 6.480 -11.654 697 HA LEU 90 HA LEU 90 5.800 6.182 -9.587 698 1HB LEU 90 1HB LEU 90 7.958 4.742 -10.649 699 2HB LEU 90 2HB LEU 90 8.406 5.083 -8.990 700 HG LEU 90 HG LEU 90 6.101 4.161 -8.338 701 1HD1 LEU 90 1HD1 LEU 90 5.751 4.102 -11.113 702 2HD1 LEU 90 2HD1 LEU 90 5.951 2.400 -10.630 703 3HD1 LEU 90 3HD1 LEU 90 4.687 3.398 -9.871 704 1HD2 LEU 90 1HD2 LEU 90 6.945 1.981 -8.107 705 2HD2 LEU 90 2HD2 LEU 90 7.939 2.114 -9.579 706 3HD2 LEU 90 3HD2 LEU 90 8.380 3.035 -8.120 707 H LEU 91 H LEU 91 5.543 7.368 -7.774 708 HA LEU 91 HA LEU 91 7.822 9.045 -6.983 709 1HB LEU 91 1HB LEU 91 4.866 9.528 -7.018 710 2HB LEU 91 2HB LEU 91 5.874 10.367 -5.856 711 HG LEU 91 HG LEU 91 6.096 10.496 -8.875 712 1HD1 LEU 91 1HD1 LEU 91 4.287 11.838 -8.264 713 2HD1 LEU 91 2HD1 LEU 91 5.076 12.394 -6.769 714 3HD1 LEU 91 3HD1 LEU 91 5.654 12.975 -8.349 715 1HD2 LEU 91 1HD2 LEU 91 7.782 12.382 -8.226 716 2HD2 LEU 91 2HD2 LEU 91 7.946 11.454 -6.715 717 3HD2 LEU 91 3HD2 LEU 91 8.315 10.685 -8.277 718 H TRP 92 H TRP 92 5.816 6.360 -6.203 719 HA TRP 92 HA TRP 92 7.150 6.049 -3.701 720 1HB TRP 92 1HB TRP 92 5.500 7.595 -2.910 721 2HB TRP 92 2HB TRP 92 4.207 6.722 -3.707 722 HD1 TRP 92 HD TRP 92 6.637 6.285 -0.709 723 HE1 TRP 92 1HE TRP 92 5.641 4.609 1.070 724 HE3 TRP 92 3HE TRP 92 2.593 4.928 -3.476 725 HZ2 TRP 92 2HZ TRP 92 3.326 2.942 1.119 726 HZ3 TRP 92 3HZ TRP 92 1.013 3.271 -2.489 727 HH2 TRP 92 HH TRP 92 1.328 2.286 -0.274 728 H GLU 93 H GLU 93 7.039 3.838 -3.048 729 HA GLU 93 HA GLU 93 5.187 2.142 -4.426 730 1HB GLU 93 1HB GLU 93 6.823 2.031 -6.125 731 2HB GLU 93 2HB GLU 93 8.157 2.122 -4.993 732 1HG GLU 93 1HG GLU 93 6.438 -0.227 -4.501 733 2HG GLU 93 2HG GLU 93 7.102 -0.222 -6.123 734 H GLN 94 H GLN 94 4.485 0.618 -2.983 735 HA GLN 94 HA GLN 94 6.359 -0.115 -0.878 736 1HB GLN 94 1HB GLN 94 3.892 1.328 -0.573 737 2HB GLN 94 2HB GLN 94 3.652 -0.266 0.115 738 1HG GLN 94 1HG GLN 94 6.095 1.440 0.766 739 2HG GLN 94 2HG GLN 94 4.610 1.537 1.693 740 1HE2 GLN 94 1HE2 GLN 94 3.694 -0.669 2.336 741 2HE2 GLN 94 2HE2 GLN 94 4.808 -1.810 3.009 742 H GLU 95 H GLU 95 6.432 -2.318 -0.373 743 HA GLU 95 HA GLU 95 4.985 -3.985 -2.210 744 1HB GLU 95 1HB GLU 95 7.264 -4.435 -0.261 745 2HB GLU 95 2HB GLU 95 6.434 -5.798 -0.986 746 1HG GLU 95 1HG GLU 95 7.051 -5.128 -3.216 747 2HG GLU 95 2HG GLU 95 7.526 -3.526 -2.690 748 H LEU 96 H LEU 96 2.811 -3.880 -1.434 749 HA LEU 96 HA LEU 96 1.862 -3.951 1.053 750 1HB LEU 96 1HB LEU 96 0.891 -5.429 -1.389 751 2HB LEU 96 2HB LEU 96 -0.026 -5.362 0.104 752 HG LEU 96 HG LEU 96 0.830 -2.940 -1.505 753 1HD1 LEU 96 1HD1 LEU 96 -0.748 -4.172 -2.813 754 2HD1 LEU 96 2HD1 LEU 96 -1.812 -4.415 -1.407 755 3HD1 LEU 96 3HD1 LEU 96 -1.597 -2.785 -2.090 756 1HD2 LEU 96 1HD2 LEU 96 -1.383 -2.478 0.264 757 2HD2 LEU 96 2HD2 LEU 96 -0.020 -3.161 1.182 758 3HD2 LEU 96 3HD2 LEU 96 0.211 -1.685 0.214 759 H TYR 97 H TYR 97 1.205 -5.575 2.606 760 HA TYR 97 HA TYR 97 3.136 -7.743 2.700 761 1HB TYR 97 1HB TYR 97 0.924 -7.109 4.706 762 2HB TYR 97 2HB TYR 97 2.540 -7.695 5.044 763 HD1 TYR 97 1HD TYR 97 0.504 -4.965 5.461 764 HD2 TYR 97 2HD TYR 97 4.432 -5.913 4.053 765 HE1 TYR 97 1HE TYR 97 1.266 -2.593 5.964 766 HE2 TYR 97 2HE TYR 97 5.180 -3.537 4.561 767 HH TYR 97 HH TYR 97 3.197 -1.067 4.937 768 H ASN 98 H ASN 98 2.405 -9.944 3.417 769 HA ASN 98 HA ASN 98 0.707 -11.048 1.656 770 1HB ASN 98 1HB ASN 98 2.285 -12.233 3.288 771 2HB ASN 98 2HB ASN 98 1.080 -12.011 4.541 772 1HD2 ASN 98 1HD2 ASN 98 2.199 -14.437 3.339 773 2HD2 ASN 98 2HD2 ASN 98 0.869 -15.372 2.741 774 H ASN 99 H ASN 99 -0.012 -10.309 5.162 775 HA ASN 99 HA ASN 99 -2.829 -10.491 4.526 776 1HB ASN 99 1HB ASN 99 -1.145 -10.778 6.979 777 2HB ASN 99 2HB ASN 99 -2.676 -9.966 7.250 778 1HD2 ASN 99 1HD2 ASN 99 -1.103 -12.882 6.123 779 2HD2 ASN 99 2HD2 ASN 99 -2.454 -13.957 6.251 780 H PHE 100 H PHE 100 -1.865 -8.269 3.302 781 HA PHE 100 HA PHE 100 -1.362 -5.993 4.712 782 1HB PHE 100 1HB PHE 100 -1.294 -6.289 2.219 783 2HB PHE 100 2HB PHE 100 -3.031 -6.512 2.178 784 HD1 PHE 100 1HD PHE 100 -0.975 -3.950 3.947 785 HD2 PHE 100 2HD PHE 100 -3.889 -4.738 0.964 786 HE1 PHE 100 1HE PHE 100 -1.284 -1.483 3.596 787 HE2 PHE 100 2HE PHE 100 -4.198 -2.272 0.614 788 HZ PHE 100 HZ PHE 100 -2.891 -0.674 1.933 789 H VAL 101 H VAL 101 -2.513 -4.542 5.937 790 HA VAL 101 HA VAL 101 -5.427 -4.902 5.975 791 HB VAL 101 HB VAL 101 -4.395 -5.939 7.934 792 1HG1 VAL 101 1HG1 VAL 101 -3.155 -4.659 9.577 793 2HG1 VAL 101 2HG1 VAL 101 -2.351 -4.519 7.996 794 3HG1 VAL 101 3HG1 VAL 101 -3.339 -3.174 8.613 795 1HG2 VAL 101 1HG2 VAL 101 -6.479 -5.260 8.568 796 2HG2 VAL 101 2HG2 VAL 101 -5.524 -4.232 9.664 797 3HG2 VAL 101 3HG2 VAL 101 -6.177 -3.556 8.152 798 H TYR 102 H TYR 102 -6.659 -2.961 6.384 799 HA TYR 102 HA TYR 102 -5.087 -0.533 5.837 800 1HB TYR 102 1HB TYR 102 -7.237 -1.842 4.490 801 2HB TYR 102 2HB TYR 102 -8.030 -0.549 5.368 802 HD1 TYR 102 1HD TYR 102 -5.452 1.304 5.151 803 HD2 TYR 102 2HD TYR 102 -7.826 -0.864 2.328 804 HE1 TYR 102 1HE TYR 102 -4.792 2.945 3.324 805 HE2 TYR 102 2HE TYR 102 -7.158 0.784 0.511 806 HH TYR 102 HH TYR 102 -6.358 3.419 0.677 807 H ASN 103 H ASN 103 -5.293 1.206 7.205 808 HA ASN 103 HA ASN 103 -7.116 0.777 9.430 809 1HB ASN 103 1HB ASN 103 -4.443 2.152 9.116 810 2HB ASN 103 2HB ASN 103 -5.539 2.799 10.320 811 1HD2 ASN 103 1HD2 ASN 103 -3.016 1.547 10.760 812 2HD2 ASN 103 2HD2 ASN 103 -3.260 0.135 11.734 813 H SER 104 H SER 104 -8.860 2.211 9.616 814 HA SER 104 HA SER 104 -8.593 4.766 8.258 815 1HB SER 104 1HB SER 104 -11.182 3.180 8.177 816 2HB SER 104 2HB SER 104 -10.752 4.590 7.230 817 HG SER 104 HG SER 104 -9.259 2.130 7.026 818 HA PRO 105 HA PRO 105 -10.051 5.494 12.421 819 1HB PRO 105 1HB PRO 105 -8.788 7.890 12.782 820 2HB PRO 105 2HB PRO 105 -8.060 6.351 13.198 821 1HG PRO 105 1HG PRO 105 -7.483 8.112 10.894 822 2HG PRO 105 2HG PRO 105 -6.507 6.817 11.557 823 1HD PRO 105 1HD PRO 105 -8.104 6.715 9.176 824 2HD PRO 105 2HD PRO 105 -7.220 5.388 9.903 825 H ARG 106 H ARG 106 -10.190 7.500 9.612 826 HA ARG 106 HA ARG 106 -12.552 8.721 10.796 827 1HB ARG 106 1HB ARG 106 -10.488 10.156 9.989 828 2HB ARG 106 2HB ARG 106 -11.075 9.821 8.371 829 1HG ARG 106 1HG ARG 106 -12.235 11.791 8.798 830 2HG ARG 106 2HG ARG 106 -13.413 10.632 9.381 831 1HD ARG 106 1HD ARG 106 -13.275 11.477 11.486 832 2HD ARG 106 2HD ARG 106 -11.544 11.204 11.527 833 HE ARG 106 HE ARG 106 -12.004 13.504 9.914 834 1HH1 ARG 106 2HH2 ARG 106 -12.344 12.509 13.272 835 2HH1 ARG 106 1HH2 ARG 106 -12.130 14.108 13.901 836 1HH2 ARG 106 2HH1 ARG 106 -11.723 15.614 10.743 837 2HH2 ARG 106 1HH1 ARG 106 -11.775 15.887 12.453 838 H GLY 107 H GLY 107 -11.152 7.917 7.521 839 1HA GLY 107 1HA GLY 107 -12.708 6.031 6.557 840 2HA GLY 107 2HA GLY 107 -13.846 7.364 6.526 841 H TYR 108 H TYR 108 -12.268 9.568 5.841 842 HA TYR 108 HA TYR 108 -11.651 8.897 3.080 843 1HB TYR 108 1HB TYR 108 -12.853 10.907 3.074 844 2HB TYR 108 2HB TYR 108 -12.543 11.175 4.778 845 HD1 TYR 108 1HD TYR 108 -10.426 12.312 5.497 846 HD2 TYR 108 2HD TYR 108 -11.534 11.980 1.378 847 HE1 TYR 108 1HE TYR 108 -8.779 14.154 4.898 848 HE2 TYR 108 2HE TYR 108 -9.884 13.824 0.793 849 HH TYR 108 HH TYR 108 -8.782 15.934 2.730 850 H PHE 109 H PHE 109 -9.973 8.906 5.974 851 HA PHE 109 HA PHE 109 -7.488 9.457 4.545 852 1HB PHE 109 1HB PHE 109 -8.389 11.411 6.040 853 2HB PHE 109 2HB PHE 109 -8.153 10.346 7.411 854 HD1 PHE 109 1HD PHE 109 -6.026 10.994 4.411 855 HD2 PHE 109 2HD PHE 109 -6.375 11.162 8.636 856 HE1 PHE 109 1HE PHE 109 -3.636 11.741 4.578 857 HE2 PHE 109 2HE PHE 109 -3.985 11.909 8.804 858 HZ PHE 109 HZ PHE 109 -2.644 12.189 6.773 859 H HIS 110 H HIS 110 -6.642 7.404 4.499 860 HA HIS 110 HA HIS 110 -6.852 5.834 6.944 861 1HB HIS 110 1HB HIS 110 -5.832 4.906 4.254 862 2HB HIS 110 2HB HIS 110 -6.357 3.923 5.606 863 HD2 HIS 110 2HD HIS 110 -9.225 5.953 5.862 864 HE1 HIS 110 1HE HIS 110 -10.098 3.893 2.243 865 HE2 HIS 110 2HE HIS 110 -11.046 5.273 4.215 866 H THR 111 H THR 111 -4.989 4.954 7.986 867 HA THR 111 HA THR 111 -2.471 6.251 7.169 868 HB THR 111 HB THR 111 -2.047 6.092 9.754 869 HG1 THR 111 1HG THR 111 -3.864 4.785 10.292 870 1HG2 THR 111 1HG2 THR 111 -3.635 8.034 8.204 871 2HG2 THR 111 2HG2 THR 111 -4.147 7.970 9.908 872 3HG2 THR 111 3HG2 THR 111 -2.453 8.334 9.500 873 H PHE 112 H PHE 112 -0.486 5.072 7.874 874 HA PHE 112 HA PHE 112 -0.679 2.365 8.609 875 1HB PHE 112 1HB PHE 112 0.010 1.423 6.387 876 2HB PHE 112 2HB PHE 112 -1.537 2.235 6.242 877 HD1 PHE 112 1HD PHE 112 -1.312 4.834 5.614 878 HD2 PHE 112 2HD PHE 112 1.585 1.852 4.764 879 HE1 PHE 112 1HE PHE 112 -0.393 6.256 3.761 880 HE2 PHE 112 2HE PHE 112 2.505 3.274 2.911 881 HZ PHE 112 HZ PHE 112 1.505 5.459 2.432 882 H ALA 113 H ALA 113 1.584 1.234 8.114 883 HA ALA 113 HA ALA 113 3.582 3.241 8.822 884 1HB ALA 113 1HB ALA 113 3.545 1.521 10.420 885 2HB ALA 113 2HB ALA 113 3.281 0.256 9.195 886 3HB ALA 113 3HB ALA 113 4.876 1.032 9.344 887 H GLY 114 H GLY 114 5.208 3.820 7.447 888 1HA GLY 114 1HA GLY 114 5.414 2.282 4.929 889 2HA GLY 114 2HA GLY 114 5.651 4.013 5.075 890 H ASP 115 H ASP 115 7.263 1.101 4.771 891 HA ASP 115 HA ASP 115 9.328 0.474 4.967 892 1HB ASP 115 1HB ASP 115 10.089 2.467 3.902 893 2HB ASP 115 2HB ASP 115 9.684 3.468 5.282 894 H THR 116 H THR 116 9.986 3.216 7.188 895 HA THR 116 HA THR 116 9.694 1.447 9.506 896 HB THR 116 HB THR 116 11.969 2.186 10.271 897 HG1 THR 116 1HG THR 116 11.818 4.178 8.888 898 1HG2 THR 116 1HG2 THR 116 12.089 0.098 9.049 899 2HG2 THR 116 2HG2 THR 116 11.788 0.915 7.497 900 3HG2 THR 116 3HG2 THR 116 13.341 1.144 8.336 901 H CYS 117 H CYS 117 8.563 4.070 8.026 902 HA CYS 117 HA CYS 117 8.327 5.501 10.569 903 1HB CYS 117 1HB CYS 117 9.821 6.573 8.671 904 2HB CYS 117 2HB CYS 117 8.275 7.019 7.977 905 HG CYS 117 HG CYS 117 9.358 7.561 11.062 906 H GLN 118 H GLN 118 6.229 6.744 10.705 907 HA GLN 118 HA GLN 118 4.161 5.156 9.546 908 1HB GLN 118 1HB GLN 118 4.281 6.145 11.960 909 2HB GLN 118 2HB GLN 118 3.758 7.651 11.231 910 1HG GLN 118 1HG GLN 118 1.908 6.024 10.111 911 2HG GLN 118 2HG GLN 118 2.255 5.059 11.532 912 1HE2 GLN 118 1HE2 GLN 118 -0.170 5.799 11.535 913 2HE2 GLN 118 2HE2 GLN 118 -0.527 7.158 12.549 914 H VAL 119 H VAL 119 2.840 5.692 7.825 915 HA VAL 119 HA VAL 119 3.057 8.442 6.825 916 HB VAL 119 HB VAL 119 2.911 7.380 4.523 917 1HG1 VAL 119 1HG1 VAL 119 5.224 7.645 6.321 918 2HG1 VAL 119 2HG1 VAL 119 5.509 6.562 4.937 919 3HG1 VAL 119 3HG1 VAL 119 4.984 8.240 4.661 920 1HG2 VAL 119 1HG2 VAL 119 2.274 5.110 5.326 921 2HG2 VAL 119 2HG2 VAL 119 3.692 5.103 4.251 922 3HG2 VAL 119 3HG2 VAL 119 3.907 4.926 6.009 923 H ALA 120 H ALA 120 1.148 9.249 5.778 924 HA ALA 120 HA ALA 120 -1.214 7.557 6.231 925 1HB ALA 120 1HB ALA 120 -1.759 9.093 7.799 926 2HB ALA 120 2HB ALA 120 -0.520 10.239 7.234 927 3HB ALA 120 3HB ALA 120 -2.105 10.173 6.427 928 H LEU 121 H LEU 121 -2.965 7.863 4.700 929 HA LEU 121 HA LEU 121 -2.067 9.194 2.240 930 1HB LEU 121 1HB LEU 121 -3.296 7.456 1.003 931 2HB LEU 121 2HB LEU 121 -1.905 6.856 1.883 932 HG LEU 121 HG LEU 121 -4.473 6.674 3.341 933 1HD1 LEU 121 1HD1 LEU 121 -5.342 4.800 2.106 934 2HD1 LEU 121 2HD1 LEU 121 -5.180 6.193 1.010 935 3HD1 LEU 121 3HD1 LEU 121 -3.987 4.874 0.955 936 1HD2 LEU 121 1HD2 LEU 121 -2.306 5.772 4.163 937 2HD2 LEU 121 2HD2 LEU 121 -3.593 4.548 4.042 938 3HD2 LEU 121 3HD2 LEU 121 -2.313 4.620 2.807 939 H ASN 122 H ASN 122 -3.536 10.535 1.205 940 HA ASN 122 HA ASN 122 -6.159 10.663 2.461 941 1HB ASN 122 1HB ASN 122 -4.211 12.603 2.814 942 2HB ASN 122 2HB ASN 122 -5.037 13.225 1.400 943 1HD2 ASN 122 1HD2 ASN 122 -5.208 14.789 3.445 944 2HD2 ASN 122 2HD2 ASN 122 -6.739 14.736 4.254 945 H PHE 123 H PHE 123 -7.670 10.247 0.843 946 HA PHE 123 HA PHE 123 -6.907 10.328 -1.890 947 1HB PHE 123 1HB PHE 123 -9.674 10.154 -0.559 948 2HB PHE 123 2HB PHE 123 -9.277 9.580 -2.166 949 HD1 PHE 123 1HD PHE 123 -7.906 7.546 -2.452 950 HD2 PHE 123 2HD PHE 123 -9.157 8.847 1.388 951 HE1 PHE 123 1HE PHE 123 -7.375 5.281 -1.512 952 HE2 PHE 123 2HE PHE 123 -8.625 6.582 2.328 953 HZ PHE 123 HZ PHE 123 -7.740 4.826 0.867 954 H ALA 124 H ALA 124 -8.154 11.528 -3.593 955 HA ALA 124 HA ALA 124 -8.313 14.293 -2.847 956 1HB ALA 124 1HB ALA 124 -8.341 14.694 -5.169 957 2HB ALA 124 2HB ALA 124 -7.357 13.219 -5.013 958 3HB ALA 124 3HB ALA 124 -9.057 13.106 -5.529 959 H ASN 125 H ASN 125 -10.472 11.562 -3.105 960 HA ASN 125 HA ASN 125 -12.677 13.421 -2.732 961 1HB ASN 125 1HB ASN 125 -12.358 11.896 -5.038 962 2HB ASN 125 2HB ASN 125 -13.351 10.832 -4.061 963 1HD2 ASN 125 1HD2 ASN 125 -15.440 11.300 -3.656 964 2HD2 ASN 125 2HD2 ASN 125 -16.304 12.651 -4.314 965 H GLU 126 H GLU 126 -14.513 12.386 -1.476 966 HA GLU 126 HA GLU 126 -13.455 10.693 0.533 967 1HB GLU 126 1HB GLU 126 -15.125 12.565 0.908 968 2HB GLU 126 2HB GLU 126 -16.340 11.585 0.113 969 1HG GLU 126 1HG GLU 126 -16.120 9.822 1.811 970 2HG GLU 126 2HG GLU 126 -14.759 10.644 2.550 971 H GLU 127 H GLU 127 -16.041 10.391 -1.998 972 HA GLU 127 HA GLU 127 -16.815 7.847 -1.393 973 1HB GLU 127 1HB GLU 127 -17.115 9.719 -3.597 974 2HB GLU 127 2HB GLU 127 -16.908 8.100 -4.234 975 1HG GLU 127 1HG GLU 127 -19.160 7.918 -3.847 976 2HG GLU 127 2HG GLU 127 -18.663 7.564 -2.204 977 H GLU 128 H GLU 128 -14.214 8.952 -3.668 978 HA GLU 128 HA GLU 128 -13.499 6.481 -4.589 979 1HB GLU 128 1HB GLU 128 -12.345 9.176 -4.509 980 2HB GLU 128 2HB GLU 128 -11.097 7.950 -4.419 981 1HG GLU 128 1HG GLU 128 -12.594 6.847 -6.395 982 2HG GLU 128 2HG GLU 128 -13.042 8.524 -6.639 983 H ALA 129 H ALA 129 -12.895 8.018 -1.461 984 HA ALA 129 HA ALA 129 -10.779 6.215 -0.747 985 1HB ALA 129 1HB ALA 129 -10.961 8.563 0.086 986 2HB ALA 129 2HB ALA 129 -12.448 8.111 0.955 987 3HB ALA 129 3HB ALA 129 -10.894 7.368 1.404 988 H LYS 130 H LYS 130 -14.324 6.538 -0.240 989 HA LYS 130 HA LYS 130 -14.511 4.473 1.658 990 1HB LYS 130 1HB LYS 130 -16.313 6.198 0.114 991 2HB LYS 130 2HB LYS 130 -16.968 4.596 0.383 992 1HG LYS 130 1HG LYS 130 -17.253 4.958 2.620 993 2HG LYS 130 2HG LYS 130 -15.660 5.668 2.799 994 1HD LYS 130 1HD LYS 130 -16.482 7.791 2.693 995 2HD LYS 130 2HD LYS 130 -17.431 7.436 1.264 996 1HE LYS 130 1HE LYS 130 -18.584 6.095 3.594 997 2HE LYS 130 2HE LYS 130 -18.390 7.806 3.917 998 1HZ LYS 130 1HZ LYS 130 -19.976 8.288 2.471 999 2HZ LYS 130 2HZ LYS 130 -19.409 7.284 1.316 1000 3HZ LYS 130 3HZ LYS 130 -20.381 6.706 2.493 1001 H LYS 131 H LYS 131 -14.828 4.572 -1.940 1002 HA LYS 131 HA LYS 131 -15.471 1.834 -2.156 1003 1HB LYS 131 1HB LYS 131 -14.977 2.192 -4.565 1004 2HB LYS 131 2HB LYS 131 -16.103 3.356 -3.896 1005 1HG LYS 131 1HG LYS 131 -14.745 4.974 -4.735 1006 2HG LYS 131 2HG LYS 131 -13.627 4.577 -3.446 1007 1HD LYS 131 1HD LYS 131 -12.162 4.147 -5.152 1008 2HD LYS 131 2HD LYS 131 -12.991 2.606 -5.246 1009 1HE LYS 131 1HE LYS 131 -14.675 4.094 -6.793 1010 2HE LYS 131 2HE LYS 131 -13.191 4.986 -7.064 1011 1HZ LYS 131 1HZ LYS 131 -12.448 3.362 -8.331 1012 2HZ LYS 131 2HZ LYS 131 -12.734 2.212 -7.206 1013 3HZ LYS 131 3HZ LYS 131 -13.915 2.648 -8.248 1014 H PHE 132 H PHE 132 -12.477 3.647 -1.727 1015 HA PHE 132 HA PHE 132 -10.710 1.758 -2.774 1016 1HB PHE 132 1HB PHE 132 -10.676 4.288 -1.565 1017 2HB PHE 132 2HB PHE 132 -9.952 3.301 -0.311 1018 HD1 PHE 132 1HD PHE 132 -7.719 2.538 -0.498 1019 HD2 PHE 132 2HD PHE 132 -9.607 4.345 -3.841 1020 HE1 PHE 132 1HE PHE 132 -5.510 2.658 -1.681 1021 HE2 PHE 132 2HE PHE 132 -7.396 4.464 -5.025 1022 HZ PHE 132 HZ PHE 132 -5.374 3.618 -3.930 1023 H ARG 133 H ARG 133 -11.710 2.371 0.673 1024 HA ARG 133 HA ARG 133 -10.318 0.172 1.630 1025 1HB ARG 133 1HB ARG 133 -11.468 2.286 2.823 1026 2HB ARG 133 2HB ARG 133 -12.812 1.179 3.020 1027 1HG ARG 133 1HG ARG 133 -10.829 -0.462 3.867 1028 2HG ARG 133 2HG ARG 133 -10.063 1.069 4.238 1029 1HD ARG 133 1HD ARG 133 -11.393 1.371 6.058 1030 2HD ARG 133 2HD ARG 133 -12.845 1.150 5.102 1031 HE ARG 133 HE ARG 133 -11.816 -1.431 5.410 1032 1HH1 ARG 133 2HH2 ARG 133 -12.835 1.143 7.583 1033 2HH1 ARG 133 1HH2 ARG 133 -13.316 0.060 8.846 1034 1HH2 ARG 133 2HH1 ARG 133 -12.452 -2.860 7.076 1035 2HH2 ARG 133 1HH1 ARG 133 -13.097 -2.232 8.555 1036 H LYS 134 H LYS 134 -13.513 0.585 0.158 1037 HA LYS 134 HA LYS 134 -14.624 -1.831 1.145 1038 1HB LYS 134 1HB LYS 134 -15.463 0.427 -0.404 1039 2HB LYS 134 2HB LYS 134 -15.857 -1.025 -1.302 1040 1HG LYS 134 1HG LYS 134 -16.687 -1.865 1.123 1041 2HG LYS 134 2HG LYS 134 -16.834 -0.143 1.410 1042 1HD LYS 134 1HD LYS 134 -18.620 0.079 -0.016 1043 2HD LYS 134 2HD LYS 134 -17.937 -1.007 -1.208 1044 1HE LYS 134 1HE LYS 134 -18.715 -2.384 1.299 1045 2HE LYS 134 2HE LYS 134 -20.065 -1.602 0.500 1046 1HZ LYS 134 1HZ LYS 134 -18.686 -3.917 -0.263 1047 2HZ LYS 134 2HZ LYS 134 -20.065 -3.299 -0.880 1048 3HZ LYS 134 3HZ LYS 134 -18.621 -2.827 -1.477 1049 H ALA 135 H ALA 135 -12.618 -0.884 -1.649 1050 HA ALA 135 HA ALA 135 -12.999 -3.332 -3.040 1051 1HB ALA 135 1HB ALA 135 -10.510 -1.946 -3.638 1052 2HB ALA 135 2HB ALA 135 -11.955 -2.163 -4.654 1053 3HB ALA 135 3HB ALA 135 -11.863 -0.796 -3.518 1054 H VAL 136 H VAL 136 -10.407 -1.972 -0.898 1055 HA VAL 136 HA VAL 136 -8.695 -4.141 -1.044 1056 HB VAL 136 HB VAL 136 -9.234 -1.996 0.986 1057 1HG1 VAL 136 1HG1 VAL 136 -8.532 -3.845 2.354 1058 2HG1 VAL 136 2HG1 VAL 136 -7.214 -4.247 1.227 1059 3HG1 VAL 136 3HG1 VAL 136 -7.150 -2.738 2.169 1060 1HG2 VAL 136 1HG2 VAL 136 -7.002 -2.598 -0.973 1061 2HG2 VAL 136 2HG2 VAL 136 -8.123 -1.216 -0.973 1062 3HG2 VAL 136 3HG2 VAL 136 -6.880 -1.354 0.294 1063 H THR 137 H THR 137 -11.199 -3.402 1.491 1064 HA THR 137 HA THR 137 -10.935 -5.734 2.927 1065 HB THR 137 HB THR 137 -13.296 -5.182 3.641 1066 HG1 THR 137 1HG THR 137 -13.042 -2.996 1.749 1067 1HG2 THR 137 1HG2 THR 137 -11.984 -3.686 4.857 1068 2HG2 THR 137 2HG2 THR 137 -11.145 -3.092 3.404 1069 3HG2 THR 137 3HG2 THR 137 -12.783 -2.510 3.786 1070 H ASP 138 H ASP 138 -13.068 -5.121 0.068 1071 HA ASP 138 HA ASP 138 -14.305 -7.534 0.048 1072 1HB ASP 138 1HB ASP 138 -13.770 -5.363 -1.834 1073 2HB ASP 138 2HB ASP 138 -13.733 -6.900 -2.675 1074 H LEU 139 H LEU 139 -11.120 -6.522 -1.349 1075 HA LEU 139 HA LEU 139 -10.585 -9.001 -2.591 1076 1HB LEU 139 1HB LEU 139 -9.603 -6.848 -3.255 1077 2HB LEU 139 2HB LEU 139 -8.721 -6.779 -1.742 1078 HG LEU 139 HG LEU 139 -8.350 -9.119 -3.597 1079 1HD1 LEU 139 1HD1 LEU 139 -7.144 -6.366 -3.888 1080 2HD1 LEU 139 2HD1 LEU 139 -6.366 -7.830 -4.535 1081 3HD1 LEU 139 3HD1 LEU 139 -7.982 -7.352 -5.111 1082 1HD2 LEU 139 1HD2 LEU 139 -6.077 -9.101 -2.576 1083 2HD2 LEU 139 2HD2 LEU 139 -6.611 -7.778 -1.512 1084 3HD2 LEU 139 3HD2 LEU 139 -7.395 -9.372 -1.409 1085 H LEU 140 H LEU 140 -9.684 -7.528 0.584 1086 HA LEU 140 HA LEU 140 -8.041 -9.621 1.412 1087 1HB LEU 140 1HB LEU 140 -9.427 -7.319 2.640 1088 2HB LEU 140 2HB LEU 140 -9.025 -8.629 3.733 1089 HG LEU 140 HG LEU 140 -6.645 -8.479 2.953 1090 1HD1 LEU 140 1HD1 LEU 140 -6.055 -6.223 1.874 1091 2HD1 LEU 140 2HD1 LEU 140 -6.730 -7.499 0.833 1092 3HD1 LEU 140 3HD1 LEU 140 -7.765 -6.160 1.386 1093 1HD2 LEU 140 1HD2 LEU 140 -8.120 -6.611 4.625 1094 2HD2 LEU 140 2HD2 LEU 140 -6.547 -7.399 4.895 1095 3HD2 LEU 140 3HD2 LEU 140 -6.636 -5.886 3.962 1096 H GLY 141 H GLY 141 -11.591 -9.132 1.544 1097 1HA GLY 141 1HA GLY 141 -12.184 -11.284 3.257 1098 2HA GLY 141 2HA GLY 141 -13.268 -10.517 2.114 1099 H ARG 142 H ARG 142 -11.946 -11.008 -0.353 1100 HA ARG 142 HA ARG 142 -12.792 -13.621 -0.793 1101 1HB ARG 142 1HB ARG 142 -11.631 -11.392 -2.370 1102 2HB ARG 142 2HB ARG 142 -11.186 -12.969 -2.992 1103 1HG ARG 142 1HG ARG 142 -13.907 -13.285 -2.441 1104 2HG ARG 142 2HG ARG 142 -13.823 -11.623 -2.992 1105 1HD ARG 142 1HD ARG 142 -14.011 -12.646 -5.062 1106 2HD ARG 142 2HD ARG 142 -12.267 -12.720 -4.908 1107 HE ARG 142 HE ARG 142 -13.550 -15.028 -3.685 1108 1HH1 ARG 142 2HH2 ARG 142 -12.492 -13.677 -6.757 1109 2HH1 ARG 142 1HH2 ARG 142 -12.321 -15.221 -7.524 1110 1HH2 ARG 142 2HH1 ARG 142 -13.324 -17.066 -4.695 1111 2HH2 ARG 142 1HH1 ARG 142 -12.798 -17.161 -6.342 1112 H ARG 143 H ARG 143 -9.542 -12.067 -0.487 1113 HA ARG 143 HA ARG 143 -7.584 -12.866 -0.043 1114 1HB ARG 143 1HB ARG 143 -9.356 -14.941 1.075 1115 2HB ARG 143 2HB ARG 143 -7.815 -15.614 0.581 1116 1HG ARG 143 1HG ARG 143 -6.667 -13.738 1.880 1117 2HG ARG 143 2HG ARG 143 -8.243 -13.266 2.484 1118 1HD ARG 143 1HD ARG 143 -8.544 -15.585 3.435 1119 2HD ARG 143 2HD ARG 143 -6.935 -16.002 2.881 1120 HE ARG 143 HE ARG 143 -6.620 -13.648 4.391 1121 1HH1 ARG 143 2HH2 ARG 143 -7.792 -16.916 4.960 1122 2HH1 ARG 143 1HH2 ARG 143 -7.340 -16.924 6.632 1123 1HH2 ARG 143 2HH1 ARG 143 -6.023 -13.658 6.596 1124 2HH2 ARG 143 1HH1 ARG 143 -6.326 -15.058 7.569 1125 H GLN 144 H GLN 144 -5.842 -13.814 -1.239 1126 HA GLN 144 HA GLN 144 -4.859 -14.648 -2.985 1127 1HB GLN 144 1HB GLN 144 -6.548 -16.753 -1.977 1128 2HB GLN 144 2HB GLN 144 -6.516 -16.885 -3.725 1129 1HG GLN 144 1HG GLN 144 -4.218 -17.297 -3.802 1130 2HG GLN 144 2HG GLN 144 -3.889 -16.381 -2.345 1131 1HE2 GLN 144 1HE2 GLN 144 -2.927 -17.742 -1.023 1132 2HE2 GLN 144 2HE2 GLN 144 -3.516 -19.290 -0.520 Start of MODEL 21 1 1H ASP 1 H ASP 1 -8.205 19.172 12.238 2 HA ASP 1 HA ASP 1 -8.486 19.787 10.032 3 1HB ASP 1 1HB ASP 1 -5.728 20.747 10.433 4 2HB ASP 1 2HB ASP 1 -5.898 19.890 8.913 5 H LEU 2 H LEU 2 -5.196 18.296 10.588 6 HA LEU 2 HA LEU 2 -6.103 15.956 9.090 7 1HB LEU 2 1HB LEU 2 -3.532 17.348 9.492 8 2HB LEU 2 2HB LEU 2 -3.439 15.597 9.501 9 HG LEU 2 HG LEU 2 -5.048 16.625 7.279 10 1HD1 LEU 2 1HD1 LEU 2 -3.778 18.355 6.682 11 2HD1 LEU 2 2HD1 LEU 2 -2.515 17.944 7.866 12 3HD1 LEU 2 3HD1 LEU 2 -2.524 17.161 6.267 13 1HD2 LEU 2 1HD2 LEU 2 -4.497 14.410 7.049 14 2HD2 LEU 2 2HD2 LEU 2 -3.217 15.174 6.077 15 3HD2 LEU 2 3HD2 LEU 2 -2.867 14.625 7.734 16 HA PRO 3 HA PRO 3 -6.094 13.488 12.629 17 1HB PRO 3 1HB PRO 3 -5.268 11.053 11.707 18 2HB PRO 3 2HB PRO 3 -6.896 11.660 11.481 19 1HG PRO 3 1HG PRO 3 -4.703 11.461 9.510 20 2HG PRO 3 2HG PRO 3 -6.421 11.655 9.224 21 1HD PRO 3 1HD PRO 3 -4.409 13.691 9.034 22 2HD PRO 3 2HD PRO 3 -6.139 13.908 8.863 23 HA PRO 4 HA PRO 4 -2.335 13.261 14.580 24 1HB PRO 4 1HB PRO 4 -2.731 11.407 16.547 25 2HB PRO 4 2HB PRO 4 -3.279 13.067 16.671 26 1HG PRO 4 1HG PRO 4 -4.863 10.627 16.145 27 2HG PRO 4 2HG PRO 4 -5.416 12.199 16.687 28 1HD PRO 4 1HD PRO 4 -5.642 11.119 14.039 29 2HD PRO 4 2HD PRO 4 -6.089 12.734 14.555 30 HA PRO 5 HA PRO 5 -0.066 10.173 12.724 31 1HB PRO 5 1HB PRO 5 2.442 10.907 13.524 32 2HB PRO 5 2HB PRO 5 1.627 11.625 12.149 33 1HG PRO 5 1HG PRO 5 2.076 12.766 14.838 34 2HG PRO 5 2HG PRO 5 1.658 13.593 13.351 35 1HD PRO 5 1HD PRO 5 -0.105 12.989 15.532 36 2HD PRO 5 2HD PRO 5 -0.545 13.711 13.997 37 H GLU 6 H GLU 6 0.426 8.080 13.103 38 HA GLU 6 HA GLU 6 0.430 7.445 15.914 39 1HB GLU 6 1HB GLU 6 -0.118 5.974 13.364 40 2HB GLU 6 2HB GLU 6 0.536 5.020 14.680 41 1HG GLU 6 1HG GLU 6 -1.811 6.898 15.138 42 2HG GLU 6 2HG GLU 6 -2.065 5.285 14.502 43 HA PRO 7 HA PRO 7 4.730 6.795 15.942 44 1HB PRO 7 1HB PRO 7 4.981 5.501 18.337 45 2HB PRO 7 2HB PRO 7 4.850 7.242 18.199 46 1HG PRO 7 1HG PRO 7 2.807 5.294 19.078 47 2HG PRO 7 2HG PRO 7 2.851 7.028 19.329 48 1HD PRO 7 1HD PRO 7 1.238 5.611 17.428 49 2HD PRO 7 2HD PRO 7 1.367 7.349 17.603 50 H TYR 8 H TYR 8 5.884 5.527 14.648 51 HA TYR 8 HA TYR 8 5.312 2.657 14.952 52 1HB TYR 8 1HB TYR 8 4.344 3.661 12.856 53 2HB TYR 8 2HB TYR 8 5.877 4.429 12.495 54 HD1 TYR 8 1HD TYR 8 7.140 3.442 10.827 55 HD2 TYR 8 2HD TYR 8 4.626 0.960 13.240 56 HE1 TYR 8 1HE TYR 8 7.833 1.408 9.469 57 HE2 TYR 8 2HE TYR 8 5.327 -1.067 11.873 58 HH TYR 8 HH TYR 8 6.573 -1.816 10.282 59 H VAL 9 H VAL 9 7.074 1.455 15.462 60 HA VAL 9 HA VAL 9 9.689 2.690 14.938 61 HB VAL 9 HB VAL 9 8.698 0.896 17.152 62 1HG1 VAL 9 1HG1 VAL 9 10.922 0.631 17.964 63 2HG1 VAL 9 2HG1 VAL 9 10.952 0.177 16.243 64 3HG1 VAL 9 3HG1 VAL 9 11.574 1.764 16.756 65 1HG2 VAL 9 1HG2 VAL 9 9.842 3.699 17.051 66 2HG2 VAL 9 2HG2 VAL 9 8.231 3.186 17.606 67 3HG2 VAL 9 3HG2 VAL 9 9.675 2.766 18.557 68 H GLN 10 H GLN 10 11.355 1.381 14.053 69 HA GLN 10 HA GLN 10 10.662 -0.301 12.093 70 1HB GLN 10 1HB GLN 10 13.091 0.469 13.444 71 2HB GLN 10 2HB GLN 10 13.165 -1.257 13.143 72 1HG GLN 10 1HG GLN 10 12.129 -0.277 10.742 73 2HG GLN 10 2HG GLN 10 13.237 0.995 11.217 74 1HE2 GLN 10 1HE2 GLN 10 14.609 0.511 9.511 75 2HE2 GLN 10 2HE2 GLN 10 15.670 -0.858 9.510 76 H THR 11 H THR 11 9.387 -2.103 12.186 77 HA THR 11 HA THR 11 9.915 -3.987 14.390 78 HB THR 11 HB THR 11 7.673 -2.832 14.443 79 HG1 THR 11 1HG THR 11 7.778 -5.637 13.573 80 1HG2 THR 11 1HG2 THR 11 7.576 -3.996 11.646 81 2HG2 THR 11 2HG2 THR 11 6.083 -3.969 12.615 82 3HG2 THR 11 3HG2 THR 11 6.928 -2.448 12.236 83 H THR 12 H THR 12 9.734 -6.274 13.914 84 HA THR 12 HA THR 12 11.094 -6.925 11.529 85 HB THR 12 HB THR 12 10.643 -9.282 12.401 86 HG1 THR 12 1HG THR 12 8.524 -8.619 13.321 87 1HG2 THR 12 1HG2 THR 12 11.282 -7.887 14.934 88 2HG2 THR 12 2HG2 THR 12 12.272 -9.038 14.004 89 3HG2 THR 12 3HG2 THR 12 12.266 -7.313 13.567 90 H LYS 13 H LYS 13 10.223 -6.639 9.561 91 HA LYS 13 HA LYS 13 7.398 -7.204 9.220 92 1HB LYS 13 1HB LYS 13 9.326 -5.443 8.016 93 2HB LYS 13 2HB LYS 13 8.640 -6.467 6.771 94 1HG LYS 13 1HG LYS 13 6.527 -5.569 6.992 95 2HG LYS 13 2HG LYS 13 6.658 -5.410 8.732 96 1HD LYS 13 1HD LYS 13 6.896 -3.176 8.335 97 2HD LYS 13 2HD LYS 13 8.544 -3.568 7.887 98 1HE LYS 13 1HE LYS 13 6.895 -4.129 5.598 99 2HE LYS 13 2HE LYS 13 6.411 -2.558 6.206 100 1HZ LYS 13 1HZ LYS 13 8.243 -2.396 4.676 101 2HZ LYS 13 2HZ LYS 13 8.712 -1.887 6.155 102 3HZ LYS 13 3HZ LYS 13 9.177 -3.355 5.611 103 H SER 14 H SER 14 6.723 -8.533 7.270 104 HA SER 14 HA SER 14 8.679 -10.521 6.552 105 1HB SER 14 1HB SER 14 6.885 -12.337 7.045 106 2HB SER 14 2HB SER 14 7.806 -11.704 8.394 107 HG SER 14 HG SER 14 6.059 -10.624 9.164 108 H TYR 15 H TYR 15 8.457 -11.017 4.384 109 HA TYR 15 HA TYR 15 5.945 -10.167 3.117 110 1HB TYR 15 1HB TYR 15 8.882 -10.467 2.253 111 2HB TYR 15 2HB TYR 15 7.610 -10.204 1.076 112 HD1 TYR 15 1HD TYR 15 5.941 -8.137 1.948 113 HD2 TYR 15 2HD TYR 15 10.126 -8.577 2.722 114 HE1 TYR 15 1HE TYR 15 6.149 -5.628 2.292 115 HE2 TYR 15 2HE TYR 15 10.320 -6.065 3.064 116 HH TYR 15 HH TYR 15 8.640 -4.217 3.811 117 HA PRO 16 HA PRO 16 5.316 -14.300 1.984 118 1HB PRO 16 1HB PRO 16 3.443 -13.975 0.020 119 2HB PRO 16 2HB PRO 16 3.055 -13.954 1.729 120 1HG PRO 16 1HG PRO 16 3.231 -11.687 -0.159 121 2HG PRO 16 2HG PRO 16 2.447 -11.754 1.407 122 1HD PRO 16 1HD PRO 16 4.965 -10.521 0.798 123 2HD PRO 16 2HD PRO 16 4.236 -10.690 2.383 124 H SER 17 H SER 17 5.984 -12.003 -0.567 125 HA SER 17 HA SER 17 6.573 -13.879 -2.498 126 1HB SER 17 1HB SER 17 7.660 -12.062 -3.683 127 2HB SER 17 2HB SER 17 6.252 -11.414 -2.865 128 HG SER 17 HG SER 17 8.196 -10.085 -2.618 129 H LYS 18 H LYS 18 8.612 -12.318 0.042 130 HA LYS 18 HA LYS 18 10.655 -14.344 -0.542 131 1HB LYS 18 1HB LYS 18 10.977 -11.658 -0.996 132 2HB LYS 18 2HB LYS 18 11.599 -11.808 0.635 133 1HG LYS 18 1HG LYS 18 12.940 -13.864 -0.257 134 2HG LYS 18 2HG LYS 18 12.532 -13.281 -1.859 135 1HD LYS 18 1HD LYS 18 14.130 -11.673 -1.758 136 2HD LYS 18 2HD LYS 18 13.492 -11.056 -0.247 137 1HE LYS 18 1HE LYS 18 14.967 -12.294 1.054 138 2HE LYS 18 2HE LYS 18 15.008 -13.638 -0.070 139 1HZ LYS 18 1HZ LYS 18 16.463 -12.471 -1.458 140 2HZ LYS 18 2HZ LYS 18 16.230 -11.047 -0.693 141 3HZ LYS 18 3HZ LYS 18 17.049 -12.248 0.050 142 H LEU 19 H LEU 19 9.001 -15.403 1.067 143 HA LEU 19 HA LEU 19 9.364 -14.472 3.781 144 1HB LEU 19 1HB LEU 19 7.171 -15.168 3.094 145 2HB LEU 19 2HB LEU 19 7.773 -16.723 2.553 146 HG LEU 19 HG LEU 19 8.160 -17.470 4.778 147 1HD1 LEU 19 1HD1 LEU 19 7.336 -15.599 6.598 148 2HD1 LEU 19 2HD1 LEU 19 9.029 -15.963 6.187 149 3HD1 LEU 19 3HD1 LEU 19 8.197 -14.600 5.403 150 1HD2 LEU 19 1HD2 LEU 19 5.893 -17.139 5.845 151 2HD2 LEU 19 2HD2 LEU 19 5.517 -16.027 4.507 152 3HD2 LEU 19 3HD2 LEU 19 5.885 -17.736 4.168 153 H ALA 20 H ALA 20 11.437 -15.858 1.749 154 HA ALA 20 HA ALA 20 13.312 -17.002 2.071 155 1HB ALA 20 1HB ALA 20 14.138 -16.568 4.113 156 2HB ALA 20 2HB ALA 20 12.498 -16.300 4.750 157 3HB ALA 20 3HB ALA 20 13.199 -17.936 4.757 158 H ARG 21 H ARG 21 10.423 -18.115 1.631 159 HA ARG 21 HA ARG 21 9.530 -20.025 1.163 160 1HB ARG 21 1HB ARG 21 12.230 -20.395 0.521 161 2HB ARG 21 2HB ARG 21 11.889 -21.791 1.525 162 1HG ARG 21 1HG ARG 21 11.053 -22.734 -0.377 163 2HG ARG 21 2HG ARG 21 9.641 -21.737 -0.091 164 1HD ARG 21 1HD ARG 21 11.529 -20.031 -1.382 165 2HD ARG 21 2HD ARG 21 11.606 -21.554 -2.244 166 HE ARG 21 HE ARG 21 9.425 -19.674 -2.315 167 1HH1 ARG 21 2HH2 ARG 21 10.068 -23.134 -2.307 168 2HH1 ARG 21 1HH2 ARG 21 8.610 -23.536 -3.150 169 1HH2 ARG 21 2HH1 ARG 21 7.500 -20.204 -3.426 170 2HH2 ARG 21 1HH1 ARG 21 7.139 -21.859 -3.790 171 H ASN 22 H ASN 22 8.666 -22.023 2.166 172 HA ASN 22 HA ASN 22 9.168 -21.987 5.016 173 1HB ASN 22 1HB ASN 22 6.856 -22.575 3.260 174 2HB ASN 22 2HB ASN 22 7.065 -23.796 4.500 175 1HD2 ASN 22 1HD2 ASN 22 5.122 -23.109 5.445 176 2HD2 ASN 22 2HD2 ASN 22 5.026 -21.696 6.442 177 H GLU 23 H GLU 23 11.148 -23.266 5.054 178 HA GLU 23 HA GLU 23 10.662 -26.060 4.877 179 1HB GLU 23 1HB GLU 23 11.258 -25.446 2.500 180 2HB GLU 23 2HB GLU 23 12.811 -24.868 3.070 181 1HG GLU 23 1HG GLU 23 13.651 -26.974 3.098 182 2HG GLU 23 2HG GLU 23 12.359 -27.525 4.146 183 H SER 24 H SER 24 11.454 -26.666 6.844 184 HA SER 24 HA SER 24 14.167 -25.908 7.438 185 1HB SER 24 1HB SER 24 13.501 -25.303 9.819 186 2HB SER 24 2HB SER 24 13.036 -24.137 8.595 187 HG SER 24 HG SER 24 11.395 -25.978 10.057 188 H ARG 25 H ARG 25 15.096 -27.911 7.683 189 HA ARG 25 HA ARG 25 14.050 -29.615 9.687 190 1HB ARG 25 1HB ARG 25 13.108 -30.067 7.064 191 2HB ARG 25 2HB ARG 25 14.401 -31.236 7.245 192 1HG ARG 25 1HG ARG 25 12.749 -32.505 8.221 193 2HG ARG 25 2HG ARG 25 13.179 -31.590 9.652 194 1HD ARG 25 1HD ARG 25 11.311 -30.005 8.114 195 2HD ARG 25 2HD ARG 25 10.657 -31.625 8.252 196 HE ARG 25 HE ARG 25 11.115 -29.725 10.452 197 1HH1 ARG 25 2HH2 ARG 25 10.511 -33.076 9.569 198 2HH1 ARG 25 1HH2 ARG 25 9.893 -33.509 11.128 199 1HH2 ARG 25 2HH1 ARG 25 10.300 -30.295 12.510 200 2HH2 ARG 25 1HH1 ARG 25 9.773 -31.917 12.812 201 H GLY 26 H GLY 26 16.141 -29.582 6.701 202 1HA GLY 26 1HA GLY 26 18.416 -30.382 8.407 203 2HA GLY 26 2HA GLY 26 18.087 -31.185 6.885 204 H SER 27 H SER 27 20.539 -30.091 7.019 205 HA SER 27 HA SER 27 20.611 -27.377 6.330 206 1HB SER 27 1HB SER 27 22.478 -28.949 7.288 207 2HB SER 27 2HB SER 27 22.768 -29.387 5.617 208 HG SER 27 HG SER 27 24.127 -27.670 5.927 209 H GLY 28 H GLY 28 20.437 -26.372 4.332 210 1HA GLY 28 1HA GLY 28 21.171 -27.169 1.882 211 2HA GLY 28 2HA GLY 28 19.657 -28.028 2.080 212 H SER 29 H SER 29 20.947 -25.275 0.787 213 HA SER 29 HA SER 29 18.370 -24.035 0.748 214 1HB SER 29 1HB SER 29 19.173 -22.898 2.692 215 2HB SER 29 2HB SER 29 20.785 -22.718 2.030 216 HG SER 29 HG SER 29 18.860 -21.540 0.401 217 H GLY 30 H GLY 30 18.038 -22.994 -1.238 218 1HA GLY 30 1HA GLY 30 19.754 -21.640 -2.817 219 2HA GLY 30 2HA GLY 30 20.125 -23.306 -3.214 220 H SER 31 H SER 31 17.161 -21.277 -2.603 221 HA SER 31 HA SER 31 15.696 -22.873 -4.446 222 1HB SER 31 1HB SER 31 14.618 -21.926 -2.435 223 2HB SER 31 2HB SER 31 14.985 -20.298 -2.973 224 HG SER 31 HG SER 31 13.431 -22.099 -4.606 225 H LEU 32 H LEU 32 15.994 -22.624 -6.632 226 HA LEU 32 HA LEU 32 15.813 -19.961 -7.725 227 1HB LEU 32 1HB LEU 32 18.355 -21.249 -7.351 228 2HB LEU 32 2HB LEU 32 18.022 -21.099 -9.065 229 HG LEU 32 HG LEU 32 17.481 -18.652 -7.503 230 1HD1 LEU 32 1HD1 LEU 32 19.841 -18.036 -7.255 231 2HD1 LEU 32 2HD1 LEU 32 19.423 -19.455 -6.265 232 3HD1 LEU 32 3HD1 LEU 32 20.324 -19.666 -7.785 233 1HD2 LEU 32 1HD2 LEU 32 18.222 -19.444 -10.188 234 2HD2 LEU 32 2HD2 LEU 32 17.513 -17.921 -9.600 235 3HD2 LEU 32 3HD2 LEU 32 19.279 -18.146 -9.585 236 H PHE 33 H PHE 33 16.074 -20.271 -10.313 237 HA PHE 33 HA PHE 33 15.116 -21.093 -12.120 238 1HB PHE 33 1HB PHE 33 16.205 -23.400 -10.565 239 2HB PHE 33 2HB PHE 33 14.939 -23.881 -11.677 240 HD1 PHE 33 1HD PHE 33 15.414 -24.190 -13.945 241 HD2 PHE 33 2HD PHE 33 18.175 -22.062 -11.526 242 HE1 PHE 33 1HE PHE 33 17.074 -24.201 -15.828 243 HE2 PHE 33 2HE PHE 33 19.833 -22.071 -13.409 244 HZ PHE 33 HZ PHE 33 19.263 -23.141 -15.538 245 H SER 34 H SER 34 13.160 -22.245 -13.040 246 HA SER 34 HA SER 34 10.985 -22.389 -13.045 247 1HB SER 34 1HB SER 34 11.858 -24.186 -10.810 248 2HB SER 34 2HB SER 34 10.136 -23.887 -10.943 249 HG SER 34 HG SER 34 10.861 -24.374 -13.434 250 H PHE 35 H PHE 35 10.651 -20.067 -12.654 251 HA PHE 35 HA PHE 35 8.864 -19.557 -10.588 252 1HB PHE 35 1HB PHE 35 11.798 -19.099 -10.124 253 2HB PHE 35 2HB PHE 35 10.797 -17.714 -9.740 254 HD1 PHE 35 1HD PHE 35 8.381 -18.974 -8.639 255 HD2 PHE 35 2HD PHE 35 12.468 -19.973 -8.083 256 HE1 PHE 35 1HE PHE 35 7.829 -19.991 -6.411 257 HE2 PHE 35 2HE PHE 35 11.916 -20.989 -5.856 258 HZ PHE 35 HZ PHE 35 9.603 -20.986 -5.047 259 H LEU 36 H LEU 36 7.647 -18.563 -12.221 260 HA LEU 36 HA LEU 36 8.485 -15.895 -12.869 261 1HB LEU 36 1HB LEU 36 8.358 -16.133 -15.264 262 2HB LEU 36 2HB LEU 36 9.640 -17.127 -14.601 263 HG LEU 36 HG LEU 36 7.332 -18.775 -14.743 264 1HD1 LEU 36 1HD1 LEU 36 6.799 -18.689 -17.143 265 2HD1 LEU 36 2HD1 LEU 36 6.338 -17.193 -16.296 266 3HD1 LEU 36 3HD1 LEU 36 7.803 -17.228 -17.306 267 1HD2 LEU 36 1HD2 LEU 36 10.023 -18.639 -16.045 268 2HD2 LEU 36 2HD2 LEU 36 9.331 -19.873 -14.963 269 3HD2 LEU 36 3HD2 LEU 36 8.817 -19.791 -16.665 270 H GLY 37 H GLY 37 6.719 -14.616 -12.698 271 1HA GLY 37 1HA GLY 37 4.138 -15.857 -12.352 272 2HA GLY 37 2HA GLY 37 4.547 -14.161 -12.186 273 H LYS 38 H LYS 38 3.750 -12.794 -13.721 274 HA LYS 38 HA LYS 38 3.817 -13.430 -16.465 275 1HB LYS 38 1HB LYS 38 1.853 -14.846 -15.528 276 2HB LYS 38 2HB LYS 38 0.999 -13.322 -15.401 277 1HG LYS 38 1HG LYS 38 0.519 -13.408 -17.612 278 2HG LYS 38 2HG LYS 38 2.229 -13.334 -17.985 279 1HD LYS 38 1HD LYS 38 2.343 -15.857 -17.627 280 2HD LYS 38 2HD LYS 38 0.600 -15.861 -17.452 281 1HE LYS 38 1HE LYS 38 1.260 -14.378 -19.848 282 2HE LYS 38 2HE LYS 38 2.141 -15.892 -19.884 283 1HZ LYS 38 1HZ LYS 38 0.248 -16.804 -20.498 284 2HZ LYS 38 2HZ LYS 38 -0.355 -16.535 -19.005 285 3HZ LYS 38 3HZ LYS 38 -0.619 -15.453 -20.199 286 H LYS 39 H LYS 39 1.367 -11.631 -14.492 287 HA LYS 39 HA LYS 39 2.734 -9.174 -14.713 288 1HB LYS 39 1HB LYS 39 1.542 -9.889 -17.098 289 2HB LYS 39 2HB LYS 39 0.304 -8.901 -16.348 290 1HG LYS 39 1HG LYS 39 2.671 -7.479 -15.823 291 2HG LYS 39 2HG LYS 39 2.928 -8.104 -17.441 292 1HD LYS 39 1HD LYS 39 0.195 -7.054 -17.090 293 2HD LYS 39 2HD LYS 39 1.410 -5.837 -16.751 294 1HE LYS 39 1HE LYS 39 2.207 -5.813 -18.937 295 2HE LYS 39 2HE LYS 39 1.860 -7.509 -19.204 296 1HZ LYS 39 1HZ LYS 39 -0.160 -7.021 -19.939 297 2HZ LYS 39 2HZ LYS 39 -0.472 -5.929 -18.765 298 3HZ LYS 39 3HZ LYS 39 0.366 -5.482 -20.095 299 H CYS 40 H CYS 40 1.849 -7.676 -13.287 300 HA CYS 40 HA CYS 40 -0.133 -8.750 -11.537 301 1HB CYS 40 1HB CYS 40 0.218 -6.613 -10.281 302 2HB CYS 40 2HB CYS 40 1.676 -7.553 -10.528 303 HG CYS 40 HG CYS 40 2.945 -5.941 -11.712 304 H VAL 41 H VAL 41 -2.307 -8.070 -11.352 305 HA VAL 41 HA VAL 41 -3.234 -6.407 -13.571 306 HB VAL 41 HB VAL 41 -5.481 -7.369 -12.773 307 1HG1 VAL 41 1HG1 VAL 41 -3.385 -9.219 -13.960 308 2HG1 VAL 41 2HG1 VAL 41 -5.149 -9.419 -14.081 309 3HG1 VAL 41 3HG1 VAL 41 -4.357 -8.027 -14.855 310 1HG2 VAL 41 1HG2 VAL 41 -4.552 -8.182 -10.579 311 2HG2 VAL 41 2HG2 VAL 41 -5.448 -9.407 -11.509 312 3HG2 VAL 41 3HG2 VAL 41 -3.669 -9.433 -11.486 313 H THR 42 H THR 42 -4.839 -4.721 -13.157 314 HA THR 42 HA THR 42 -4.275 -3.394 -10.627 315 HB THR 42 HB THR 42 -5.827 -2.449 -13.092 316 HG1 THR 42 1HG THR 42 -3.053 -2.026 -12.250 317 1HG2 THR 42 1HG2 THR 42 -4.973 -0.204 -12.287 318 2HG2 THR 42 2HG2 THR 42 -6.117 -0.951 -11.147 319 3HG2 THR 42 3HG2 THR 42 -4.369 -1.004 -10.817 320 H MET 43 H MET 43 -6.198 -2.154 -9.621 321 HA MET 43 HA MET 43 -8.547 -3.870 -9.708 322 1HB MET 43 1HB MET 43 -6.685 -3.328 -7.451 323 2HB MET 43 2HB MET 43 -8.357 -3.007 -7.034 324 1HG MET 43 1HG MET 43 -7.659 -5.590 -8.461 325 2HG MET 43 2HG MET 43 -7.355 -5.452 -6.740 326 1HE MET 43 1HE MET 43 -10.416 -3.382 -6.122 327 2HE MET 43 2HE MET 43 -10.547 -4.815 -5.073 328 3HE MET 43 3HE MET 43 -8.958 -4.069 -5.367 329 H SER 44 H SER 44 -7.419 -0.960 -7.833 330 HA SER 44 HA SER 44 -9.638 0.475 -9.055 331 1HB SER 44 1HB SER 44 -9.806 1.671 -6.744 332 2HB SER 44 2HB SER 44 -10.520 0.079 -6.911 333 HG SER 44 HG SER 44 -9.338 -0.214 -5.102 334 H SER 45 H SER 45 -9.334 2.937 -8.850 335 HA SER 45 HA SER 45 -6.577 3.679 -8.437 336 1HB SER 45 1HB SER 45 -8.042 4.381 -11.018 337 2HB SER 45 2HB SER 45 -6.396 4.819 -10.602 338 HG SER 45 HG SER 45 -6.494 2.956 -12.022 339 H ALA 46 H ALA 46 -6.601 5.488 -7.154 340 HA ALA 46 HA ALA 46 -8.605 7.523 -7.672 341 1HB ALA 46 1HB ALA 46 -8.306 6.822 -4.800 342 2HB ALA 46 2HB ALA 46 -9.750 7.321 -5.713 343 3HB ALA 46 3HB ALA 46 -9.190 5.634 -5.788 344 H VAL 47 H VAL 47 -7.877 9.603 -7.114 345 HA VAL 47 HA VAL 47 -5.054 9.819 -6.811 346 HB VAL 47 HB VAL 47 -7.319 11.816 -6.899 347 1HG1 VAL 47 1HG1 VAL 47 -5.453 12.749 -5.597 348 2HG1 VAL 47 2HG1 VAL 47 -4.330 12.361 -6.922 349 3HG1 VAL 47 3HG1 VAL 47 -5.618 13.564 -7.171 350 1HG2 VAL 47 1HG2 VAL 47 -7.041 11.893 -9.139 351 2HG2 VAL 47 2HG2 VAL 47 -5.271 11.736 -9.031 352 3HG2 VAL 47 3HG2 VAL 47 -6.301 10.289 -8.919 353 H VAL 48 H VAL 48 -3.897 9.882 -4.956 354 HA VAL 48 HA VAL 48 -5.281 10.804 -2.547 355 HB VAL 48 HB VAL 48 -4.631 8.973 -1.278 356 1HG1 VAL 48 1HG1 VAL 48 -5.308 6.922 -2.695 357 2HG1 VAL 48 2HG1 VAL 48 -6.486 8.245 -2.514 358 3HG1 VAL 48 3HG1 VAL 48 -5.545 8.090 -4.017 359 1HG2 VAL 48 1HG2 VAL 48 -2.487 8.724 -3.267 360 2HG2 VAL 48 2HG2 VAL 48 -2.513 8.278 -1.544 361 3HG2 VAL 48 3HG2 VAL 48 -3.170 7.159 -2.764 362 H GLN 49 H GLN 49 -3.643 11.336 -0.772 363 HA GLN 49 HA GLN 49 -1.259 12.392 -2.081 364 1HB GLN 49 1HB GLN 49 -2.797 13.473 0.320 365 2HB GLN 49 2HB GLN 49 -1.292 14.146 -0.271 366 1HG GLN 49 1HG GLN 49 -2.265 14.942 -2.268 367 2HG GLN 49 2HG GLN 49 -3.579 13.784 -2.216 368 1HE2 GLN 49 1HE2 GLN 49 -2.877 16.925 -1.936 369 2HE2 GLN 49 2HE2 GLN 49 -4.124 17.484 -0.870 370 H LEU 50 H LEU 50 0.639 11.454 -1.472 371 HA LEU 50 HA LEU 50 0.633 9.651 0.757 372 1HB LEU 50 1HB LEU 50 1.792 9.426 -1.541 373 2HB LEU 50 2HB LEU 50 3.029 10.464 -0.862 374 HG LEU 50 HG LEU 50 3.655 8.117 -0.698 375 1HD1 LEU 50 1HD1 LEU 50 3.973 9.970 1.226 376 2HD1 LEU 50 2HD1 LEU 50 3.120 8.715 2.157 377 3HD1 LEU 50 3HD1 LEU 50 4.643 8.323 1.323 378 1HD2 LEU 50 1HD2 LEU 50 1.744 7.349 1.380 379 2HD2 LEU 50 2HD2 LEU 50 0.985 7.635 -0.204 380 3HD2 LEU 50 3HD2 LEU 50 2.311 6.457 -0.052 381 H TYR 51 H TYR 51 1.048 10.183 2.828 382 HA TYR 51 HA TYR 51 2.687 12.587 3.273 383 1HB TYR 51 1HB TYR 51 0.189 11.448 4.671 384 2HB TYR 51 2HB TYR 51 1.141 12.744 5.369 385 HD1 TYR 51 1HD TYR 51 -1.830 12.234 3.857 386 HD2 TYR 51 2HD TYR 51 1.682 14.608 3.280 387 HE1 TYR 51 1HE TYR 51 -3.190 13.942 2.555 388 HE2 TYR 51 2HE TYR 51 0.310 16.308 1.979 389 HH TYR 51 HH TYR 51 -2.209 16.979 1.998 390 H ALA 52 H ALA 52 4.059 12.556 5.144 391 HA ALA 52 HA ALA 52 4.423 9.854 6.246 392 1HB ALA 52 1HB ALA 52 6.549 11.967 5.713 393 2HB ALA 52 2HB ALA 52 6.814 10.306 6.297 394 3HB ALA 52 3HB ALA 52 6.209 10.584 4.646 395 H ALA 53 H ALA 53 4.061 9.719 8.402 396 HA ALA 53 HA ALA 53 3.579 12.131 9.871 397 1HB ALA 53 1HB ALA 53 3.502 9.162 10.498 398 2HB ALA 53 2HB ALA 53 3.201 10.407 11.735 399 3HB ALA 53 3HB ALA 53 2.136 10.289 10.313 400 H ASP 54 H ASP 54 5.589 13.254 9.903 401 HA ASP 54 HA ASP 54 8.028 12.360 10.282 402 1HB ASP 54 1HB ASP 54 6.635 14.810 10.765 403 2HB ASP 54 2HB ASP 54 7.623 14.532 12.186 404 H ARG 55 H ARG 55 9.458 12.182 12.296 405 HA ARG 55 HA ARG 55 8.589 10.318 14.010 406 1HB ARG 55 1HB ARG 55 10.750 12.425 14.163 407 2HB ARG 55 2HB ARG 55 10.439 11.472 15.600 408 1HG ARG 55 1HG ARG 55 10.852 9.382 14.386 409 2HG ARG 55 2HG ARG 55 10.955 10.234 12.858 410 1HD ARG 55 1HD ARG 55 12.984 11.439 13.629 411 2HD ARG 55 2HD ARG 55 12.860 10.685 15.206 412 HE ARG 55 HE ARG 55 12.943 8.723 13.046 413 1HH1 ARG 55 2HH2 ARG 55 14.919 10.767 15.119 414 2HH1 ARG 55 1HH2 ARG 55 16.329 9.772 14.973 415 1HH2 ARG 55 2HH1 ARG 55 14.804 7.410 12.851 416 2HH2 ARG 55 1HH1 ARG 55 16.264 7.850 13.673 417 H ASN 56 H ASN 56 8.778 13.898 14.657 418 HA ASN 56 HA ASN 56 7.744 13.819 17.184 419 1HB ASN 56 1HB ASN 56 7.937 15.866 14.990 420 2HB ASN 56 2HB ASN 56 6.796 16.231 16.268 421 1HD2 ASN 56 1HD2 ASN 56 7.985 17.936 17.041 422 2HD2 ASN 56 2HD2 ASN 56 9.464 17.759 17.924 423 H CYS 57 H CYS 57 5.865 15.375 14.514 424 HA CYS 57 HA CYS 57 3.800 13.605 14.290 425 1HB CYS 57 1HB CYS 57 2.047 14.869 15.722 426 2HB CYS 57 2HB CYS 57 3.084 13.690 16.498 427 HG CYS 57 HG CYS 57 3.174 15.448 18.226 428 H MET 58 H MET 58 4.908 14.929 12.351 429 HA MET 58 HA MET 58 2.998 17.008 11.728 430 1HB MET 58 1HB MET 58 6.027 17.284 11.847 431 2HB MET 58 2HB MET 58 5.138 18.229 10.670 432 1HG MET 58 1HG MET 58 4.460 18.218 13.648 433 2HG MET 58 2HG MET 58 5.547 19.385 12.920 434 1HE MET 58 1HE MET 58 5.038 20.236 10.663 435 2HE MET 58 2HE MET 58 3.450 20.154 9.863 436 3HE MET 58 3HE MET 58 3.882 21.579 10.837 437 H TRP 59 H TRP 59 2.014 15.679 10.162 438 HA TRP 59 HA TRP 59 3.120 13.917 8.468 439 1HB TRP 59 1HB TRP 59 0.998 15.908 7.655 440 2HB TRP 59 2HB TRP 59 1.278 14.319 6.972 441 HD1 TRP 59 HD TRP 59 -0.425 16.012 9.935 442 HE1 TRP 59 1HE TRP 59 -1.842 14.303 11.362 443 HE3 TRP 59 3HE TRP 59 1.328 11.829 7.634 444 HZ2 TRP 59 2HZ TRP 59 -2.066 11.458 11.368 445 HZ3 TRP 59 3HZ TRP 59 0.460 9.626 8.411 446 HH2 TRP 59 HH TRP 59 -1.180 9.400 10.210 447 H SER 60 H SER 60 4.400 13.945 6.610 448 HA SER 60 HA SER 60 5.144 16.603 5.671 449 1HB SER 60 1HB SER 60 6.826 14.613 6.902 450 2HB SER 60 2HB SER 60 7.301 14.745 5.220 451 HG SER 60 HG SER 60 8.255 16.288 6.948 452 H LYS 61 H LYS 61 3.929 16.625 3.762 453 HA LYS 61 HA LYS 61 3.362 14.422 2.202 454 1HB LYS 61 1HB LYS 61 2.284 16.706 2.158 455 2HB LYS 61 2HB LYS 61 3.656 17.276 1.230 456 1HG LYS 61 1HG LYS 61 2.407 14.758 0.218 457 2HG LYS 61 2HG LYS 61 1.388 16.179 0.121 458 1HD LYS 61 1HD LYS 61 4.008 16.969 -0.754 459 2HD LYS 61 2HD LYS 61 3.640 15.455 -1.553 460 1HE LYS 61 1HE LYS 61 1.380 16.449 -2.220 461 2HE LYS 61 2HE LYS 61 1.929 17.985 -1.577 462 1HZ LYS 61 1HZ LYS 61 3.930 17.545 -3.108 463 2HZ LYS 61 2HZ LYS 61 2.919 16.529 -3.892 464 3HZ LYS 61 3HZ LYS 61 2.540 18.110 -3.752 465 H LYS 62 H LYS 62 4.369 13.349 0.517 466 HA LYS 62 HA LYS 62 7.157 14.153 0.074 467 1HB LYS 62 1HB LYS 62 6.328 11.814 1.104 468 2HB LYS 62 2HB LYS 62 6.215 11.405 -0.595 469 1HG LYS 62 1HG LYS 62 8.560 12.004 -0.969 470 2HG LYS 62 2HG LYS 62 8.703 12.661 0.650 471 1HD LYS 62 1HD LYS 62 7.801 10.096 1.187 472 2HD LYS 62 2HD LYS 62 8.763 9.826 -0.253 473 1HE LYS 62 1HE LYS 62 10.691 11.027 0.829 474 2HE LYS 62 2HE LYS 62 9.729 11.242 2.277 475 1HZ LYS 62 1HZ LYS 62 9.583 8.876 2.496 476 2HZ LYS 62 2HZ LYS 62 10.395 8.633 1.099 477 3HZ LYS 62 3HZ LYS 62 11.155 9.302 2.381 478 H CYS 63 H CYS 63 4.094 13.044 -1.459 479 HA CYS 63 HA CYS 63 4.268 14.673 -3.618 480 1HB CYS 63 1HB CYS 63 6.267 12.695 -3.895 481 2HB CYS 63 2HB CYS 63 4.984 12.226 -4.993 482 HG CYS 63 HG CYS 63 6.194 15.291 -4.654 483 H SER 64 H SER 64 2.198 14.603 -4.476 484 HA SER 64 HA SER 64 0.703 12.169 -3.895 485 1HB SER 64 1HB SER 64 -0.506 14.899 -4.461 486 2HB SER 64 2HB SER 64 -1.283 13.513 -3.723 487 HG SER 64 HG SER 64 0.895 14.093 -2.221 488 H GLY 65 H GLY 65 -1.220 11.847 -5.538 489 1HA GLY 65 1HA GLY 65 -1.326 12.914 -8.055 490 2HA GLY 65 2HA GLY 65 -0.071 11.695 -8.159 491 H VAL 66 H VAL 66 -1.301 10.304 -9.533 492 HA VAL 66 HA VAL 66 -3.850 9.364 -8.519 493 HB VAL 66 HB VAL 66 -2.415 8.463 -11.008 494 1HG1 VAL 66 1HG1 VAL 66 -4.683 7.514 -9.924 495 2HG1 VAL 66 2HG1 VAL 66 -5.365 8.864 -10.862 496 3HG1 VAL 66 3HG1 VAL 66 -4.416 7.601 -11.681 497 1HG2 VAL 66 1HG2 VAL 66 -2.387 10.894 -11.073 498 2HG2 VAL 66 2HG2 VAL 66 -3.587 10.272 -12.229 499 3HG2 VAL 66 3HG2 VAL 66 -4.120 10.954 -10.673 500 H ALA 67 H ALA 67 -4.028 7.611 -7.225 501 HA ALA 67 HA ALA 67 -1.737 5.772 -7.186 502 1HB ALA 67 1HB ALA 67 -2.282 7.119 -5.101 503 2HB ALA 67 2HB ALA 67 -3.815 6.220 -5.014 504 3HB ALA 67 3HB ALA 67 -2.268 5.353 -4.881 505 H CYS 68 H CYS 68 -2.070 3.637 -7.695 506 HA CYS 68 HA CYS 68 -4.866 2.820 -7.989 507 1HB CYS 68 1HB CYS 68 -4.258 1.542 -10.000 508 2HB CYS 68 2HB CYS 68 -3.998 3.261 -10.220 509 HG CYS 68 HG CYS 68 -1.437 2.223 -8.830 510 H LEU 69 H LEU 69 -5.288 0.649 -7.317 511 HA LEU 69 HA LEU 69 -3.128 -0.501 -5.734 512 1HB LEU 69 1HB LEU 69 -5.652 0.015 -5.054 513 2HB LEU 69 2HB LEU 69 -5.898 -1.586 -5.721 514 HG LEU 69 HG LEU 69 -3.673 -1.271 -3.763 515 1HD1 LEU 69 1HD1 LEU 69 -5.277 0.050 -2.613 516 2HD1 LEU 69 2HD1 LEU 69 -6.596 -1.079 -3.008 517 3HD1 LEU 69 3HD1 LEU 69 -5.315 -1.568 -1.873 518 1HD2 LEU 69 1HD2 LEU 69 -4.743 -3.485 -2.993 519 2HD2 LEU 69 2HD2 LEU 69 -5.682 -3.390 -4.503 520 3HD2 LEU 69 3HD2 LEU 69 -3.905 -3.449 -4.563 521 H VAL 70 H VAL 70 -1.806 -1.862 -6.821 522 HA VAL 70 HA VAL 70 -2.998 -3.478 -8.945 523 HB VAL 70 HB VAL 70 -0.167 -2.711 -8.234 524 1HG1 VAL 70 1HG1 VAL 70 -0.422 -5.124 -9.030 525 2HG1 VAL 70 2HG1 VAL 70 -0.953 -4.444 -10.587 526 3HG1 VAL 70 3HG1 VAL 70 0.676 -4.084 -9.968 527 1HG2 VAL 70 1HG2 VAL 70 -0.267 -1.779 -10.598 528 2HG2 VAL 70 2HG2 VAL 70 -2.023 -2.063 -10.539 529 3HG2 VAL 70 3HG2 VAL 70 -1.262 -0.943 -9.383 530 H LYS 71 H LYS 71 -3.326 -5.644 -8.704 531 HA LYS 71 HA LYS 71 -2.069 -6.887 -6.356 532 1HB LYS 71 1HB LYS 71 -4.163 -8.285 -6.215 533 2HB LYS 71 2HB LYS 71 -4.340 -6.603 -5.759 534 1HG LYS 71 1HG LYS 71 -5.641 -6.084 -7.610 535 2HG LYS 71 2HG LYS 71 -4.816 -7.227 -8.652 536 1HD LYS 71 1HD LYS 71 -6.336 -8.485 -6.420 537 2HD LYS 71 2HD LYS 71 -7.334 -7.614 -7.567 538 1HE LYS 71 1HE LYS 71 -6.933 -9.116 -9.265 539 2HE LYS 71 2HE LYS 71 -5.247 -9.315 -8.834 540 1HZ LYS 71 1HZ LYS 71 -6.421 -11.310 -8.387 541 2HZ LYS 71 2HZ LYS 71 -5.998 -10.662 -6.948 542 3HZ LYS 71 3HZ LYS 71 -7.540 -10.548 -7.474 543 H ASP 72 H ASP 72 -0.534 -8.271 -7.049 544 HA ASP 72 HA ASP 72 -0.640 -9.263 -9.697 545 1HB ASP 72 1HB ASP 72 1.165 -10.251 -7.452 546 2HB ASP 72 2HB ASP 72 1.489 -10.297 -9.174 547 H ASN 73 H ASN 73 0.146 -11.895 -9.659 548 HA ASN 73 HA ASN 73 -1.977 -13.386 -9.486 549 1HB ASN 73 1HB ASN 73 0.708 -14.346 -8.368 550 2HB ASN 73 2HB ASN 73 -0.521 -15.352 -9.107 551 1HD2 ASN 73 1HD2 ASN 73 -1.320 -13.944 -11.267 552 2HD2 ASN 73 2HD2 ASN 73 -0.034 -13.745 -12.411 553 HA PRO 74 HA PRO 74 -3.104 -13.795 -5.266 554 1HB PRO 74 1HB PRO 74 -4.475 -16.159 -5.266 555 2HB PRO 74 2HB PRO 74 -5.175 -14.646 -5.806 556 1HG PRO 74 1HG PRO 74 -4.232 -16.932 -7.424 557 2HG PRO 74 2HG PRO 74 -5.300 -15.625 -7.890 558 1HD PRO 74 1HD PRO 74 -2.532 -15.909 -8.585 559 2HD PRO 74 2HD PRO 74 -3.570 -14.546 -8.952 560 H GLN 75 H GLN 75 -0.761 -15.619 -6.622 561 HA GLN 75 HA GLN 75 -0.314 -16.994 -4.092 562 1HB GLN 75 1HB GLN 75 0.187 -17.703 -6.942 563 2HB GLN 75 2HB GLN 75 1.483 -18.131 -5.842 564 1HG GLN 75 1HG GLN 75 -1.352 -18.793 -5.036 565 2HG GLN 75 2HG GLN 75 -0.586 -19.783 -6.262 566 1HE2 GLN 75 1HE2 GLN 75 -1.413 -20.344 -3.484 567 2HE2 GLN 75 2HE2 GLN 75 -0.021 -20.966 -2.663 568 H ARG 76 H ARG 76 0.563 -14.259 -5.864 569 HA ARG 76 HA ARG 76 3.301 -14.359 -4.928 570 1HB ARG 76 1HB ARG 76 1.992 -13.240 -7.248 571 2HB ARG 76 2HB ARG 76 2.696 -11.910 -6.350 572 1HG ARG 76 1HG ARG 76 4.779 -12.475 -7.044 573 2HG ARG 76 2HG ARG 76 4.601 -14.093 -6.394 574 1HD ARG 76 1HD ARG 76 4.123 -15.003 -8.445 575 2HD ARG 76 2HD ARG 76 3.067 -13.679 -8.897 576 HE ARG 76 HE ARG 76 5.906 -13.923 -9.516 577 1HH1 ARG 76 2HH2 ARG 76 3.293 -11.622 -9.009 578 2HH1 ARG 76 1HH2 ARG 76 4.038 -10.374 -9.950 579 1HH2 ARG 76 2HH1 ARG 76 6.890 -12.276 -10.758 580 2HH2 ARG 76 1HH1 ARG 76 6.098 -10.748 -10.952 581 H SER 77 H SER 77 0.926 -11.637 -5.347 582 HA SER 77 HA SER 77 0.164 -11.079 -2.920 583 1HB SER 77 1HB SER 77 2.129 -11.010 -1.707 584 2HB SER 77 2HB SER 77 3.099 -10.536 -3.087 585 HG SER 77 HG SER 77 2.789 -8.857 -1.392 586 H TYR 78 H TYR 78 0.059 -8.474 -2.495 587 HA TYR 78 HA TYR 78 -0.596 -7.361 -5.118 588 1HB TYR 78 1HB TYR 78 -1.191 -6.537 -2.206 589 2HB TYR 78 2HB TYR 78 -1.906 -5.776 -3.613 590 HD1 TYR 78 1HD TYR 78 -3.460 -6.983 -1.325 591 HD2 TYR 78 2HD TYR 78 -2.134 -8.662 -5.030 592 HE1 TYR 78 1HE TYR 78 -5.374 -8.656 -1.261 593 HE2 TYR 78 2HE TYR 78 -4.053 -10.329 -4.953 594 HH TYR 78 HH TYR 78 -5.466 -11.367 -3.252 595 H PHE 79 H PHE 79 -0.342 -4.843 -5.202 596 HA PHE 79 HA PHE 79 2.036 -3.966 -3.787 597 1HB PHE 79 1HB PHE 79 1.624 -4.289 -6.807 598 2HB PHE 79 2HB PHE 79 2.775 -3.118 -6.196 599 HD1 PHE 79 1HD PHE 79 1.939 -6.738 -6.083 600 HD2 PHE 79 2HD PHE 79 4.949 -3.777 -5.653 601 HE1 PHE 79 1HE PHE 79 3.686 -8.535 -5.928 602 HE2 PHE 79 2HE PHE 79 6.695 -5.575 -5.498 603 HZ PHE 79 HZ PHE 79 6.042 -7.932 -5.638 604 H LEU 80 H LEU 80 2.028 -1.759 -3.368 605 HA LEU 80 HA LEU 80 -0.145 -0.250 -4.645 606 1HB LEU 80 1HB LEU 80 0.002 -0.982 -1.988 607 2HB LEU 80 2HB LEU 80 0.655 0.644 -1.978 608 HG LEU 80 HG LEU 80 -1.766 0.518 -3.581 609 1HD1 LEU 80 1HD1 LEU 80 -3.385 -0.109 -1.996 610 2HD1 LEU 80 2HD1 LEU 80 -2.155 -1.393 -1.938 611 3HD1 LEU 80 3HD1 LEU 80 -2.199 -0.147 -0.669 612 1HD2 LEU 80 1HD2 LEU 80 -0.726 2.106 -1.250 613 2HD2 LEU 80 2HD2 LEU 80 -1.105 2.634 -2.907 614 3HD2 LEU 80 3HD2 LEU 80 -2.422 2.259 -1.769 615 H ARG 81 H ARG 81 0.499 1.526 -5.748 616 HA ARG 81 HA ARG 81 2.936 2.797 -4.884 617 1HB ARG 81 1HB ARG 81 3.889 2.831 -7.162 618 2HB ARG 81 2HB ARG 81 3.622 1.172 -6.663 619 1HG ARG 81 1HG ARG 81 2.042 0.806 -8.278 620 2HG ARG 81 2HG ARG 81 1.261 2.350 -8.000 621 1HD ARG 81 1HD ARG 81 2.353 2.083 -10.300 622 2HD ARG 81 2HD ARG 81 2.826 3.520 -9.415 623 HE ARG 81 HE ARG 81 4.748 1.727 -8.629 624 1HH1 ARG 81 2HH2 ARG 81 3.516 2.631 -11.800 625 2HH1 ARG 81 1HH2 ARG 81 5.009 2.304 -12.614 626 1HH2 ARG 81 2HH1 ARG 81 6.718 1.296 -9.703 627 2HH2 ARG 81 1HH1 ARG 81 6.843 1.539 -11.414 628 H ILE 82 H ILE 82 3.182 5.018 -5.914 629 HA ILE 82 HA ILE 82 0.607 6.012 -6.910 630 HB ILE 82 HB ILE 82 2.265 6.942 -4.621 631 1HG1 ILE 82 1HG1 ILE 82 -0.492 7.635 -4.452 632 2HG1 ILE 82 2HG1 ILE 82 -0.407 6.004 -5.089 633 1HG2 ILE 82 1HG2 ILE 82 2.366 8.806 -6.253 634 2HG2 ILE 82 2HG2 ILE 82 0.586 8.842 -6.281 635 3HG2 ILE 82 3HG2 ILE 82 1.461 9.212 -4.776 636 1HD1 ILE 82 1HD1 ILE 82 0.382 5.142 -3.126 637 2HD1 ILE 82 2HD1 ILE 82 1.498 6.505 -2.872 638 3HD1 ILE 82 3HD1 ILE 82 -0.214 6.660 -2.411 639 H PHE 83 H PHE 83 0.717 7.613 -8.529 640 HA PHE 83 HA PHE 83 3.434 8.068 -9.545 641 1HB PHE 83 1HB PHE 83 1.585 8.346 -11.664 642 2HB PHE 83 2HB PHE 83 2.595 6.940 -11.390 643 HD1 PHE 83 1HD PHE 83 1.544 5.373 -9.391 644 HD2 PHE 83 2HD PHE 83 -0.632 7.885 -12.029 645 HE1 PHE 83 1HE PHE 83 -0.508 3.970 -9.036 646 HE2 PHE 83 2HE PHE 83 -2.684 6.482 -11.674 647 HZ PHE 83 HZ PHE 83 -2.596 4.541 -10.182 648 H ASP 84 H ASP 84 3.846 10.133 -10.545 649 HA ASP 84 HA ASP 84 2.140 12.164 -9.435 650 1HB ASP 84 1HB ASP 84 4.766 12.088 -9.428 651 2HB ASP 84 2HB ASP 84 4.647 12.615 -11.095 652 H ILE 85 H ILE 85 0.904 13.613 -10.741 653 HA ILE 85 HA ILE 85 0.574 12.789 -13.495 654 HB ILE 85 HB ILE 85 -1.364 13.109 -12.048 655 1HG1 ILE 85 1HG1 ILE 85 -1.299 15.194 -14.246 656 2HG1 ILE 85 2HG1 ILE 85 -1.441 13.472 -14.538 657 1HG2 ILE 85 1HG2 ILE 85 -1.980 15.600 -11.612 658 2HG2 ILE 85 2HG2 ILE 85 -0.866 14.759 -10.509 659 3HG2 ILE 85 3HG2 ILE 85 -0.225 15.872 -11.742 660 1HD1 ILE 85 1HD1 ILE 85 -3.457 15.386 -13.487 661 2HD1 ILE 85 2HD1 ILE 85 -3.690 13.867 -14.386 662 3HD1 ILE 85 3HD1 ILE 85 -3.399 13.827 -12.630 663 H LYS 86 H LYS 86 2.944 14.433 -12.141 664 HA LYS 86 HA LYS 86 2.869 16.601 -14.122 665 1HB LYS 86 1HB LYS 86 3.542 16.553 -11.286 666 2HB LYS 86 2HB LYS 86 4.858 17.195 -12.249 667 1HG LYS 86 1HG LYS 86 2.095 18.154 -12.938 668 2HG LYS 86 2HG LYS 86 2.761 18.713 -11.417 669 1HD LYS 86 1HD LYS 86 4.819 19.504 -12.632 670 2HD LYS 86 2HD LYS 86 4.107 18.987 -14.146 671 1HE LYS 86 1HE LYS 86 2.430 20.661 -14.092 672 2HE LYS 86 2HE LYS 86 2.550 20.870 -12.356 673 1HZ LYS 86 1HZ LYS 86 4.258 21.930 -14.437 674 2HZ LYS 86 2HZ LYS 86 3.718 22.644 -13.071 675 3HZ LYS 86 3HZ LYS 86 4.957 21.582 -13.002 676 H ASP 87 H ASP 87 4.814 13.996 -12.579 677 HA ASP 87 HA ASP 87 6.738 14.348 -14.729 678 1HB ASP 87 1HB ASP 87 6.894 12.852 -12.072 679 2HB ASP 87 2HB ASP 87 8.159 12.788 -13.284 680 H GLY 88 H GLY 88 4.087 12.451 -13.579 681 1HA GLY 88 1HA GLY 88 3.116 10.565 -14.322 682 2HA GLY 88 2HA GLY 88 4.138 10.654 -15.741 683 H LYS 89 H LYS 89 5.867 10.682 -12.711 684 HA LYS 89 HA LYS 89 6.571 7.869 -13.163 685 1HB LYS 89 1HB LYS 89 8.135 10.291 -12.425 686 2HB LYS 89 2HB LYS 89 8.590 8.796 -11.633 687 1HG LYS 89 1HG LYS 89 8.131 8.197 -14.416 688 2HG LYS 89 2HG LYS 89 9.140 9.628 -14.345 689 1HD LYS 89 1HD LYS 89 10.857 8.133 -14.096 690 2HD LYS 89 2HD LYS 89 10.356 8.097 -12.417 691 1HE LYS 89 1HE LYS 89 10.142 5.842 -12.746 692 2HE LYS 89 2HE LYS 89 8.611 6.256 -13.490 693 1HZ LYS 89 1HZ LYS 89 11.093 6.223 -15.042 694 2HZ LYS 89 2HZ LYS 89 10.205 4.871 -14.822 695 3HZ LYS 89 3HZ LYS 89 9.556 6.157 -15.591 696 H LEU 90 H LEU 90 7.437 6.847 -10.965 697 HA LEU 90 HA LEU 90 5.193 7.072 -9.161 698 1HB LEU 90 1HB LEU 90 5.616 4.955 -8.642 699 2HB LEU 90 2HB LEU 90 6.590 4.969 -10.099 700 HG LEU 90 HG LEU 90 8.458 5.789 -8.334 701 1HD1 LEU 90 1HD1 LEU 90 8.277 4.709 -6.220 702 2HD1 LEU 90 2HD1 LEU 90 6.784 5.647 -6.464 703 3HD1 LEU 90 3HD1 LEU 90 6.775 3.881 -6.697 704 1HD2 LEU 90 1HD2 LEU 90 7.620 2.998 -9.115 705 2HD2 LEU 90 2HD2 LEU 90 8.920 4.009 -9.790 706 3HD2 LEU 90 3HD2 LEU 90 9.086 3.318 -8.159 707 H LEU 91 H LEU 91 5.208 7.980 -7.137 708 HA LEU 91 HA LEU 91 7.767 9.183 -6.338 709 1HB LEU 91 1HB LEU 91 5.167 10.228 -5.336 710 2HB LEU 91 2HB LEU 91 6.685 11.057 -5.613 711 HG LEU 91 HG LEU 91 5.157 11.903 -7.202 712 1HD1 LEU 91 1HD1 LEU 91 6.118 10.572 -9.387 713 2HD1 LEU 91 2HD1 LEU 91 6.965 11.876 -8.523 714 3HD1 LEU 91 3HD1 LEU 91 7.339 10.176 -8.153 715 1HD2 LEU 91 1HD2 LEU 91 3.398 10.792 -7.975 716 2HD2 LEU 91 2HD2 LEU 91 4.436 9.558 -8.727 717 3HD2 LEU 91 3HD2 LEU 91 3.934 9.383 -7.028 718 H TRP 92 H TRP 92 5.418 6.779 -5.671 719 HA TRP 92 HA TRP 92 6.684 6.288 -3.111 720 1HB TRP 92 1HB TRP 92 4.841 7.731 -2.481 721 2HB TRP 92 2HB TRP 92 3.707 6.736 -3.374 722 HD1 TRP 92 HD TRP 92 5.893 6.571 -0.175 723 HE1 TRP 92 1HE TRP 92 4.953 4.779 1.518 724 HE3 TRP 92 3HE TRP 92 2.323 4.730 -3.293 725 HZ2 TRP 92 2HZ TRP 92 2.868 2.836 1.366 726 HZ3 TRP 92 3HZ TRP 92 0.878 2.887 -2.444 727 HH2 TRP 92 HH TRP 92 1.106 1.941 -0.201 728 H GLU 93 H GLU 93 6.736 4.049 -2.667 729 HA GLU 93 HA GLU 93 5.087 2.337 -4.279 730 1HB GLU 93 1HB GLU 93 7.719 2.942 -5.131 731 2HB GLU 93 2HB GLU 93 7.838 1.352 -4.405 732 1HG GLU 93 1HG GLU 93 5.462 1.749 -6.167 733 2HG GLU 93 2HG GLU 93 7.006 1.822 -6.991 734 H GLN 94 H GLN 94 4.343 0.722 -2.968 735 HA GLN 94 HA GLN 94 6.102 -0.077 -0.789 736 1HB GLN 94 1HB GLN 94 3.558 1.253 -0.568 737 2HB GLN 94 2HB GLN 94 3.356 -0.383 0.026 738 1HG GLN 94 1HG GLN 94 5.882 0.692 0.999 739 2HG GLN 94 2HG GLN 94 4.592 1.820 1.365 740 1HE2 GLN 94 1HE2 GLN 94 5.085 -1.712 1.275 741 2HE2 GLN 94 2HE2 GLN 94 4.364 -2.073 2.809 742 H GLU 95 H GLU 95 6.222 -2.304 -0.415 743 HA GLU 95 HA GLU 95 4.821 -3.890 -2.387 744 1HB GLU 95 1HB GLU 95 7.452 -3.920 -1.398 745 2HB GLU 95 2HB GLU 95 6.714 -5.325 -0.653 746 1HG GLU 95 1HG GLU 95 6.034 -6.215 -2.825 747 2HG GLU 95 2HG GLU 95 6.495 -4.733 -3.639 748 H LEU 96 H LEU 96 2.711 -4.059 -1.502 749 HA LEU 96 HA LEU 96 1.914 -4.353 1.022 750 1HB LEU 96 1HB LEU 96 0.921 -5.851 -1.404 751 2HB LEU 96 2HB LEU 96 0.071 -5.790 0.128 752 HG LEU 96 HG LEU 96 0.407 -3.688 -1.956 753 1HD1 LEU 96 1HD1 LEU 96 -1.796 -3.911 -2.066 754 2HD1 LEU 96 2HD1 LEU 96 -1.705 -5.186 -0.828 755 3HD1 LEU 96 3HD1 LEU 96 -1.963 -3.491 -0.344 756 1HD2 LEU 96 1HD2 LEU 96 -0.259 -1.949 -0.215 757 2HD2 LEU 96 2HD2 LEU 96 0.327 -3.104 1.005 758 3HD2 LEU 96 3HD2 LEU 96 1.443 -2.471 -0.230 759 H TYR 97 H TYR 97 1.908 -5.859 2.671 760 HA TYR 97 HA TYR 97 3.348 -8.358 2.079 761 1HB TYR 97 1HB TYR 97 3.854 -7.964 4.691 762 2HB TYR 97 2HB TYR 97 4.797 -7.091 3.500 763 HD1 TYR 97 1HD TYR 97 1.681 -6.743 5.554 764 HD2 TYR 97 2HD TYR 97 4.958 -4.766 3.641 765 HE1 TYR 97 1HE TYR 97 0.967 -4.536 6.595 766 HE2 TYR 97 2HE TYR 97 4.231 -2.565 4.687 767 HH TYR 97 HH TYR 97 2.955 -1.651 6.244 768 H ASN 98 H ASN 98 2.825 -10.165 3.622 769 HA ASN 98 HA ASN 98 0.093 -10.551 3.681 770 1HB ASN 98 1HB ASN 98 2.381 -12.111 4.082 771 2HB ASN 98 2HB ASN 98 1.652 -12.117 5.675 772 1HD2 ASN 98 1HD2 ASN 98 0.839 -14.101 5.797 773 2HD2 ASN 98 2HD2 ASN 98 -0.352 -14.783 4.741 774 H ASN 99 H ASN 99 -1.418 -10.540 5.493 775 HA ASN 99 HA ASN 99 -2.214 -10.055 7.466 776 1HB ASN 99 1HB ASN 99 0.438 -10.655 8.150 777 2HB ASN 99 2HB ASN 99 0.240 -9.042 8.805 778 1HD2 ASN 99 1HD2 ASN 99 0.451 -9.978 10.881 779 2HD2 ASN 99 2HD2 ASN 99 -0.880 -10.752 11.671 780 H PHE 100 H PHE 100 -2.216 -8.162 5.394 781 HA PHE 100 HA PHE 100 -1.353 -5.651 6.602 782 1HB PHE 100 1HB PHE 100 -0.755 -6.245 4.218 783 2HB PHE 100 2HB PHE 100 -2.453 -6.467 3.846 784 HD1 PHE 100 1HD PHE 100 -0.627 -3.755 5.654 785 HD2 PHE 100 2HD PHE 100 -3.120 -4.812 2.387 786 HE1 PHE 100 1HE PHE 100 -0.800 -1.336 5.004 787 HE2 PHE 100 2HE PHE 100 -3.294 -2.394 1.738 788 HZ PHE 100 HZ PHE 100 -2.132 -0.685 3.053 789 H VAL 101 H VAL 101 -2.784 -4.068 7.278 790 HA VAL 101 HA VAL 101 -5.628 -4.645 6.825 791 HB VAL 101 HB VAL 101 -5.055 -5.271 9.079 792 1HG1 VAL 101 1HG1 VAL 101 -3.492 -4.248 10.298 793 2HG1 VAL 101 2HG1 VAL 101 -3.208 -3.142 8.931 794 3HG1 VAL 101 3HG1 VAL 101 -4.368 -2.701 10.208 795 1HG2 VAL 101 1HG2 VAL 101 -6.770 -4.158 10.177 796 2HG2 VAL 101 2HG2 VAL 101 -6.375 -2.590 9.431 797 3HG2 VAL 101 3HG2 VAL 101 -7.172 -3.858 8.469 798 H TYR 102 H TYR 102 -7.021 -2.698 6.862 799 HA TYR 102 HA TYR 102 -5.479 -0.304 6.112 800 1HB TYR 102 1HB TYR 102 -7.086 -1.896 4.521 801 2HB TYR 102 2HB TYR 102 -8.321 -0.859 5.206 802 HD1 TYR 102 1HD TYR 102 -4.826 0.076 4.270 803 HD2 TYR 102 2HD TYR 102 -8.990 0.444 3.364 804 HE1 TYR 102 1HE TYR 102 -4.299 1.858 2.536 805 HE2 TYR 102 2HE TYR 102 -8.449 2.225 1.633 806 HH TYR 102 HH TYR 102 -6.892 3.291 0.577 807 H ASN 103 H ASN 103 -5.706 1.306 7.578 808 HA ASN 103 HA ASN 103 -8.023 1.210 9.291 809 1HB ASN 103 1HB ASN 103 -5.325 2.569 9.347 810 2HB ASN 103 2HB ASN 103 -6.626 3.342 10.230 811 1HD2 ASN 103 1HD2 ASN 103 -4.465 2.443 11.565 812 2HD2 ASN 103 2HD2 ASN 103 -4.840 1.060 12.537 813 H SER 104 H SER 104 -9.334 3.229 9.624 814 HA SER 104 HA SER 104 -8.917 5.444 7.949 815 1HB SER 104 1HB SER 104 -10.817 5.244 6.458 816 2HB SER 104 2HB SER 104 -9.838 3.802 6.278 817 HG SER 104 HG SER 104 -12.355 4.105 7.646 818 HA PRO 105 HA PRO 105 -11.564 5.851 11.667 819 1HB PRO 105 1HB PRO 105 -9.890 7.371 13.201 820 2HB PRO 105 2HB PRO 105 -10.001 5.627 13.342 821 1HG PRO 105 1HG PRO 105 -7.873 7.255 12.092 822 2HG PRO 105 2HG PRO 105 -7.811 5.584 12.617 823 1HD PRO 105 1HD PRO 105 -8.056 6.526 9.919 824 2HD PRO 105 2HD PRO 105 -8.111 4.859 10.457 825 H ARG 106 H ARG 106 -10.394 7.664 9.233 826 HA ARG 106 HA ARG 106 -11.845 9.981 10.230 827 1HB ARG 106 1HB ARG 106 -9.356 9.657 8.640 828 2HB ARG 106 2HB ARG 106 -10.455 10.843 7.964 829 1HG ARG 106 1HG ARG 106 -9.777 10.869 10.927 830 2HG ARG 106 2HG ARG 106 -8.711 11.625 9.761 831 1HD ARG 106 1HD ARG 106 -10.645 13.014 8.927 832 2HD ARG 106 2HD ARG 106 -11.671 12.289 10.149 833 HE ARG 106 HE ARG 106 -9.204 13.509 11.199 834 1HH1 ARG 106 2HH2 ARG 106 -12.606 13.983 10.438 835 2HH1 ARG 106 1HH2 ARG 106 -12.790 15.334 11.507 836 1HH2 ARG 106 2HH1 ARG 106 -9.444 15.291 12.609 837 2HH2 ARG 106 1HH1 ARG 106 -10.978 16.083 12.750 838 H GLY 107 H GLY 107 -12.571 11.359 8.026 839 1HA GLY 107 1HA GLY 107 -14.676 9.864 6.904 840 2HA GLY 107 2HA GLY 107 -14.123 11.449 6.401 841 H TYR 108 H TYR 108 -11.687 11.238 5.337 842 HA TYR 108 HA TYR 108 -11.693 8.921 3.552 843 1HB TYR 108 1HB TYR 108 -11.293 10.598 1.675 844 2HB TYR 108 2HB TYR 108 -12.870 10.807 2.410 845 HD1 TYR 108 1HD TYR 108 -12.963 12.565 4.399 846 HD2 TYR 108 2HD TYR 108 -9.928 12.464 1.385 847 HE1 TYR 108 1HE TYR 108 -12.421 15.006 4.854 848 HE2 TYR 108 2HE TYR 108 -9.397 14.906 1.850 849 HH TYR 108 HH TYR 108 -11.291 16.744 4.222 850 H PHE 109 H PHE 109 -10.022 9.059 5.725 851 HA PHE 109 HA PHE 109 -7.477 9.582 4.404 852 1HB PHE 109 1HB PHE 109 -8.407 11.456 6.060 853 2HB PHE 109 2HB PHE 109 -8.050 10.298 7.326 854 HD1 PHE 109 1HD PHE 109 -6.634 12.595 4.878 855 HD2 PHE 109 2HD PHE 109 -5.732 9.692 7.839 856 HE1 PHE 109 1HE PHE 109 -4.252 13.388 4.931 857 HE2 PHE 109 2HE PHE 109 -3.351 10.484 7.891 858 HZ PHE 109 HZ PHE 109 -2.639 12.322 6.436 859 H HIS 110 H HIS 110 -6.722 7.497 4.270 860 HA HIS 110 HA HIS 110 -7.101 5.801 6.607 861 1HB HIS 110 1HB HIS 110 -6.096 5.050 3.851 862 2HB HIS 110 2HB HIS 110 -6.541 3.952 5.143 863 HD2 HIS 110 2HD HIS 110 -9.321 6.360 5.348 864 HE1 HIS 110 1HE HIS 110 -10.510 3.760 2.195 865 HE2 HIS 110 2HE HIS 110 -11.261 5.547 3.909 866 H THR 111 H THR 111 -5.402 5.095 7.878 867 HA THR 111 HA THR 111 -2.749 6.121 7.103 868 HB THR 111 HB THR 111 -2.423 6.126 9.665 869 HG1 THR 111 1HG THR 111 -4.304 4.678 9.986 870 1HG2 THR 111 1HG2 THR 111 -4.613 7.840 8.390 871 2HG2 THR 111 2HG2 THR 111 -4.028 8.100 10.051 872 3HG2 THR 111 3HG2 THR 111 -2.915 8.296 8.674 873 H PHE 112 H PHE 112 -0.905 4.823 7.487 874 HA PHE 112 HA PHE 112 -1.277 2.166 8.478 875 1HB PHE 112 1HB PHE 112 -0.815 1.055 6.349 876 2HB PHE 112 2HB PHE 112 -2.094 2.205 6.017 877 HD1 PHE 112 1HD PHE 112 -1.260 4.584 5.218 878 HD2 PHE 112 2HD PHE 112 1.026 1.019 4.955 879 HE1 PHE 112 1HE PHE 112 0.138 5.614 3.405 880 HE2 PHE 112 2HE PHE 112 2.424 2.048 3.141 881 HZ PHE 112 HZ PHE 112 1.962 4.334 2.388 882 H ALA 113 H ALA 113 0.925 0.871 7.976 883 HA ALA 113 HA ALA 113 3.013 2.685 8.841 884 1HB ALA 113 1HB ALA 113 2.419 0.434 9.924 885 2HB ALA 113 2HB ALA 113 3.164 -0.326 8.498 886 3HB ALA 113 3HB ALA 113 4.138 0.716 9.563 887 H GLY 114 H GLY 114 4.943 3.076 7.711 888 1HA GLY 114 1HA GLY 114 4.798 2.445 4.846 889 2HA GLY 114 2HA GLY 114 5.737 3.716 5.601 890 H ASP 115 H ASP 115 7.394 2.597 4.059 891 HA ASP 115 HA ASP 115 8.380 0.170 4.259 892 1HB ASP 115 1HB ASP 115 9.467 2.820 3.675 893 2HB ASP 115 2HB ASP 115 10.698 1.822 4.422 894 H THR 116 H THR 116 9.934 2.864 6.163 895 HA THR 116 HA THR 116 10.228 0.977 8.408 896 HB THR 116 HB THR 116 12.406 1.227 7.371 897 HG1 THR 116 1HG THR 116 13.339 2.048 9.263 898 1HG2 THR 116 1HG2 THR 116 12.677 3.088 6.033 899 2HG2 THR 116 2HG2 THR 116 11.461 4.019 6.938 900 3HG2 THR 116 3HG2 THR 116 13.129 3.904 7.549 901 H CYS 117 H CYS 117 8.783 3.810 7.263 902 HA CYS 117 HA CYS 117 8.463 4.706 10.030 903 1HB CYS 117 1HB CYS 117 8.426 7.033 9.289 904 2HB CYS 117 2HB CYS 117 9.960 6.281 8.900 905 HG CYS 117 HG CYS 117 7.346 6.410 6.872 906 H GLN 118 H GLN 118 6.331 5.917 10.313 907 HA GLN 118 HA GLN 118 4.317 4.467 8.927 908 1HB GLN 118 1HB GLN 118 4.412 5.281 11.439 909 2HB GLN 118 2HB GLN 118 3.768 6.781 10.801 910 1HG GLN 118 1HG GLN 118 2.392 4.315 9.830 911 2HG GLN 118 2HG GLN 118 2.227 4.620 11.547 912 1HE2 GLN 118 1HE2 GLN 118 1.976 7.143 11.965 913 2HE2 GLN 118 2HE2 GLN 118 0.685 7.892 11.087 914 H VAL 119 H VAL 119 2.717 5.295 7.492 915 HA VAL 119 HA VAL 119 3.053 8.079 6.676 916 HB VAL 119 HB VAL 119 2.860 7.260 4.284 917 1HG1 VAL 119 1HG1 VAL 119 5.163 7.433 6.042 918 2HG1 VAL 119 2HG1 VAL 119 5.464 6.299 4.703 919 3HG1 VAL 119 3HG1 VAL 119 4.975 7.975 4.357 920 1HG2 VAL 119 1HG2 VAL 119 2.254 4.876 5.102 921 2HG2 VAL 119 2HG2 VAL 119 3.341 5.045 3.703 922 3HG2 VAL 119 3HG2 VAL 119 4.008 4.665 5.308 923 H ALA 120 H ALA 120 1.147 8.900 5.477 924 HA ALA 120 HA ALA 120 -1.233 7.252 5.979 925 1HB ALA 120 1HB ALA 120 -2.356 9.514 6.469 926 2HB ALA 120 2HB ALA 120 -1.261 8.873 7.717 927 3HB ALA 120 3HB ALA 120 -0.708 10.168 6.629 928 H LEU 121 H LEU 121 -3.050 7.726 4.513 929 HA LEU 121 HA LEU 121 -2.158 9.070 2.061 930 1HB LEU 121 1HB LEU 121 -3.420 7.345 0.799 931 2HB LEU 121 2HB LEU 121 -1.962 6.774 1.585 932 HG LEU 121 HG LEU 121 -4.510 6.444 3.093 933 1HD1 LEU 121 1HD1 LEU 121 -5.588 5.128 1.664 934 2HD1 LEU 121 2HD1 LEU 121 -4.456 5.682 0.407 935 3HD1 LEU 121 3HD1 LEU 121 -4.119 4.187 1.313 936 1HD2 LEU 121 1HD2 LEU 121 -2.038 5.708 3.670 937 2HD2 LEU 121 2HD2 LEU 121 -3.436 4.699 4.109 938 3HD2 LEU 121 3HD2 LEU 121 -2.469 4.300 2.670 939 H ASN 122 H ASN 122 -3.552 10.585 1.275 940 HA ASN 122 HA ASN 122 -6.183 10.608 2.535 941 1HB ASN 122 1HB ASN 122 -4.561 12.508 3.175 942 2HB ASN 122 2HB ASN 122 -4.632 13.039 1.506 943 1HD2 ASN 122 1HD2 ASN 122 -5.435 15.014 2.465 944 2HD2 ASN 122 2HD2 ASN 122 -7.122 15.195 2.812 945 H PHE 123 H PHE 123 -7.842 10.364 1.027 946 HA PHE 123 HA PHE 123 -7.188 10.352 -1.754 947 1HB PHE 123 1HB PHE 123 -9.883 10.237 -0.272 948 2HB PHE 123 2HB PHE 123 -9.594 9.666 -1.904 949 HD1 PHE 123 1HD PHE 123 -8.305 7.601 -2.286 950 HD2 PHE 123 2HD PHE 123 -9.264 8.911 1.635 951 HE1 PHE 123 1HE PHE 123 -7.768 5.317 -1.391 952 HE2 PHE 123 2HE PHE 123 -8.728 6.628 2.529 953 HZ PHE 123 HZ PHE 123 -7.987 4.858 1.005 954 H ALA 124 H ALA 124 -8.583 11.542 -3.388 955 HA ALA 124 HA ALA 124 -8.715 14.323 -2.577 956 1HB ALA 124 1HB ALA 124 -9.316 14.383 -5.185 957 2HB ALA 124 2HB ALA 124 -7.640 14.198 -4.613 958 3HB ALA 124 3HB ALA 124 -8.565 12.770 -5.138 959 H ASN 125 H ASN 125 -10.768 11.567 -2.817 960 HA ASN 125 HA ASN 125 -13.042 13.353 -2.597 961 1HB ASN 125 1HB ASN 125 -12.543 11.736 -4.872 962 2HB ASN 125 2HB ASN 125 -13.721 10.822 -3.952 963 1HD2 ASN 125 1HD2 ASN 125 -15.782 11.355 -4.052 964 2HD2 ASN 125 2HD2 ASN 125 -16.444 12.797 -4.748 965 H GLU 126 H GLU 126 -14.905 12.246 -1.444 966 HA GLU 126 HA GLU 126 -13.891 10.547 0.583 967 1HB GLU 126 1HB GLU 126 -15.647 12.384 0.866 968 2HB GLU 126 2HB GLU 126 -16.792 11.321 0.072 969 1HG GLU 126 1HG GLU 126 -16.302 9.558 1.827 970 2HG GLU 126 2HG GLU 126 -15.269 10.711 2.648 971 H GLU 127 H GLU 127 -16.364 10.223 -2.056 972 HA GLU 127 HA GLU 127 -17.101 7.656 -1.534 973 1HB GLU 127 1HB GLU 127 -17.848 9.473 -3.359 974 2HB GLU 127 2HB GLU 127 -16.799 8.534 -4.401 975 1HG GLU 127 1HG GLU 127 -18.072 6.441 -3.598 976 2HG GLU 127 2HG GLU 127 -19.220 7.529 -2.843 977 H GLU 128 H GLU 128 -14.416 8.845 -3.666 978 HA GLU 128 HA GLU 128 -13.601 6.398 -4.571 979 1HB GLU 128 1HB GLU 128 -12.395 9.105 -4.282 980 2HB GLU 128 2HB GLU 128 -11.233 7.801 -4.415 981 1HG GLU 128 1HG GLU 128 -12.621 6.978 -6.451 982 2HG GLU 128 2HG GLU 128 -13.442 8.524 -6.384 983 H ALA 129 H ALA 129 -13.175 7.930 -1.409 984 HA ALA 129 HA ALA 129 -11.054 6.171 -0.608 985 1HB ALA 129 1HB ALA 129 -11.417 8.544 0.206 986 2HB ALA 129 2HB ALA 129 -12.839 7.948 1.097 987 3HB ALA 129 3HB ALA 129 -11.217 7.334 1.496 988 H LYS 130 H LYS 130 -14.624 6.374 -0.330 989 HA LYS 130 HA LYS 130 -14.847 4.296 1.565 990 1HB LYS 130 1HB LYS 130 -16.517 6.192 0.726 991 2HB LYS 130 2HB LYS 130 -17.051 4.924 -0.359 992 1HG LYS 130 1HG LYS 130 -17.251 3.390 1.688 993 2HG LYS 130 2HG LYS 130 -16.946 4.796 2.688 994 1HD LYS 130 1HD LYS 130 -18.930 5.823 1.143 995 2HD LYS 130 2HD LYS 130 -19.363 4.129 1.030 996 1HE LYS 130 1HE LYS 130 -18.961 4.229 3.701 997 2HE LYS 130 2HE LYS 130 -19.329 5.924 3.450 998 1HZ LYS 130 1HZ LYS 130 -21.437 5.450 2.934 999 2HZ LYS 130 2HZ LYS 130 -21.089 4.070 2.134 1000 3HZ LYS 130 3HZ LYS 130 -21.168 4.070 3.765 1001 H LYS 131 H LYS 131 -15.005 4.435 -2.042 1002 HA LYS 131 HA LYS 131 -15.587 1.696 -2.334 1003 1HB LYS 131 1HB LYS 131 -15.022 2.079 -4.695 1004 2HB LYS 131 2HB LYS 131 -16.108 3.304 -4.069 1005 1HG LYS 131 1HG LYS 131 -14.593 4.734 -5.050 1006 2HG LYS 131 2HG LYS 131 -13.757 4.543 -3.522 1007 1HD LYS 131 1HD LYS 131 -11.985 3.601 -4.573 1008 2HD LYS 131 2HD LYS 131 -13.006 2.325 -5.203 1009 1HE LYS 131 1HE LYS 131 -13.230 3.327 -7.271 1010 2HE LYS 131 2HE LYS 131 -13.289 4.946 -6.602 1011 1HZ LYS 131 1HZ LYS 131 -11.163 5.162 -7.055 1012 2HZ LYS 131 2HZ LYS 131 -10.763 3.871 -6.138 1013 3HZ LYS 131 3HZ LYS 131 -11.119 3.671 -7.719 1014 H PHE 132 H PHE 132 -12.642 3.533 -1.701 1015 HA PHE 132 HA PHE 132 -10.814 1.636 -2.653 1016 1HB PHE 132 1HB PHE 132 -10.884 4.191 -1.421 1017 2HB PHE 132 2HB PHE 132 -10.092 3.195 -0.216 1018 HD1 PHE 132 1HD PHE 132 -7.922 2.158 -0.693 1019 HD2 PHE 132 2HD PHE 132 -9.807 4.698 -3.523 1020 HE1 PHE 132 1HE PHE 132 -5.754 2.382 -1.937 1021 HE2 PHE 132 2HE PHE 132 -7.638 4.921 -4.767 1022 HZ PHE 132 HZ PHE 132 -5.637 3.761 -3.959 1023 H ARG 133 H ARG 133 -11.965 2.335 0.729 1024 HA ARG 133 HA ARG 133 -10.595 0.242 1.863 1025 1HB ARG 133 1HB ARG 133 -12.068 2.297 2.841 1026 2HB ARG 133 2HB ARG 133 -13.277 1.037 2.998 1027 1HG ARG 133 1HG ARG 133 -11.319 -0.348 4.123 1028 2HG ARG 133 2HG ARG 133 -10.555 1.217 4.325 1029 1HD ARG 133 1HD ARG 133 -11.927 1.753 6.060 1030 2HD ARG 133 2HD ARG 133 -13.362 1.370 5.129 1031 HE ARG 133 HE ARG 133 -11.968 -0.404 7.008 1032 1HH1 ARG 133 2HH2 ARG 133 -14.212 -0.240 4.303 1033 2HH1 ARG 133 1HH2 ARG 133 -14.947 -1.768 4.654 1034 1HH2 ARG 133 2HH1 ARG 133 -12.937 -2.420 7.472 1035 2HH2 ARG 133 1HH1 ARG 133 -14.217 -3.017 6.469 1036 H LYS 134 H LYS 134 -13.629 0.372 0.048 1037 HA LYS 134 HA LYS 134 -14.654 -2.103 0.997 1038 1HB LYS 134 1HB LYS 134 -15.562 0.064 -0.572 1039 2HB LYS 134 2HB LYS 134 -15.643 -1.344 -1.611 1040 1HG LYS 134 1HG LYS 134 -16.722 -2.517 0.511 1041 2HG LYS 134 2HG LYS 134 -17.021 -0.876 1.046 1042 1HD LYS 134 1HD LYS 134 -18.968 -1.179 -0.158 1043 2HD LYS 134 2HD LYS 134 -17.957 -0.616 -1.473 1044 1HE LYS 134 1HE LYS 134 -18.682 -2.553 -2.487 1045 2HE LYS 134 2HE LYS 134 -17.351 -3.265 -1.596 1046 1HZ LYS 134 1HZ LYS 134 -18.751 -4.261 -0.187 1047 2HZ LYS 134 2HZ LYS 134 -19.821 -3.028 -0.145 1048 3HZ LYS 134 3HZ LYS 134 -19.842 -4.086 -1.389 1049 H ALA 135 H ALA 135 -12.386 -1.063 -1.530 1050 HA ALA 135 HA ALA 135 -12.468 -3.544 -2.933 1051 1HB ALA 135 1HB ALA 135 -10.808 -1.028 -2.973 1052 2HB ALA 135 2HB ALA 135 -10.230 -2.475 -3.836 1053 3HB ALA 135 3HB ALA 135 -11.799 -1.752 -4.262 1054 H VAL 136 H VAL 136 -10.123 -1.956 -0.655 1055 HA VAL 136 HA VAL 136 -8.288 -3.986 -0.542 1056 HB VAL 136 HB VAL 136 -9.217 -1.870 1.365 1057 1HG1 VAL 136 1HG1 VAL 136 -8.509 -3.115 3.104 1058 2HG1 VAL 136 2HG1 VAL 136 -7.646 -4.268 2.057 1059 3HG1 VAL 136 3HG1 VAL 136 -6.877 -2.728 2.509 1060 1HG2 VAL 136 1HG2 VAL 136 -7.143 -2.201 -0.664 1061 2HG2 VAL 136 2HG2 VAL 136 -7.783 -0.719 0.087 1062 3HG2 VAL 136 3HG2 VAL 136 -6.484 -1.634 0.889 1063 H THR 137 H THR 137 -11.009 -3.445 1.816 1064 HA THR 137 HA THR 137 -10.724 -5.791 3.210 1065 HB THR 137 HB THR 137 -13.153 -5.389 3.770 1066 HG1 THR 137 1HG THR 137 -12.675 -3.763 1.409 1067 1HG2 THR 137 1HG2 THR 137 -12.940 -2.851 4.263 1068 2HG2 THR 137 2HG2 THR 137 -11.697 -3.895 4.992 1069 3HG2 THR 137 3HG2 THR 137 -11.322 -2.956 3.527 1070 H ASP 138 H ASP 138 -12.654 -5.238 0.201 1071 HA ASP 138 HA ASP 138 -13.775 -7.696 0.044 1072 1HB ASP 138 1HB ASP 138 -13.068 -5.518 -1.818 1073 2HB ASP 138 2HB ASP 138 -13.069 -7.080 -2.612 1074 H LEU 139 H LEU 139 -10.482 -6.562 -0.882 1075 HA LEU 139 HA LEU 139 -9.733 -8.978 -2.167 1076 1HB LEU 139 1HB LEU 139 -8.152 -6.639 -1.097 1077 2HB LEU 139 2HB LEU 139 -7.435 -7.986 -1.958 1078 HG LEU 139 HG LEU 139 -9.170 -5.776 -2.979 1079 1HD1 LEU 139 1HD1 LEU 139 -6.726 -5.663 -3.193 1080 2HD1 LEU 139 2HD1 LEU 139 -6.741 -7.183 -4.120 1081 3HD1 LEU 139 3HD1 LEU 139 -7.533 -5.732 -4.779 1082 1HD2 LEU 139 1HD2 LEU 139 -9.065 -8.551 -4.178 1083 2HD2 LEU 139 2HD2 LEU 139 -10.498 -7.627 -3.668 1084 3HD2 LEU 139 3HD2 LEU 139 -9.556 -7.098 -5.082 1085 H LEU 140 H LEU 140 -9.185 -7.562 1.120 1086 HA LEU 140 HA LEU 140 -7.627 -9.681 2.057 1087 1HB LEU 140 1HB LEU 140 -9.090 -7.376 3.190 1088 2HB LEU 140 2HB LEU 140 -8.796 -8.705 4.295 1089 HG LEU 140 HG LEU 140 -6.323 -8.380 3.119 1090 1HD1 LEU 140 1HD1 LEU 140 -5.770 -6.113 2.904 1091 2HD1 LEU 140 2HD1 LEU 140 -7.322 -6.278 2.046 1092 3HD1 LEU 140 3HD1 LEU 140 -7.279 -5.576 3.681 1093 1HD2 LEU 140 1HD2 LEU 140 -6.769 -6.740 5.530 1094 2HD2 LEU 140 2HD2 LEU 140 -7.359 -8.416 5.632 1095 3HD2 LEU 140 3HD2 LEU 140 -5.652 -8.096 5.243 1096 H GLY 141 H GLY 141 -11.153 -9.193 1.773 1097 1HA GLY 141 1HA GLY 141 -11.993 -11.268 3.457 1098 2HA GLY 141 2HA GLY 141 -12.885 -10.581 2.114 1099 H ARG 142 H ARG 142 -11.325 -11.197 -0.117 1100 HA ARG 142 HA ARG 142 -12.025 -13.847 -0.501 1101 1HB ARG 142 1HB ARG 142 -10.416 -11.796 -2.032 1102 2HB ARG 142 2HB ARG 142 -10.340 -13.461 -2.570 1103 1HG ARG 142 1HG ARG 142 -13.021 -13.286 -2.308 1104 2HG ARG 142 2HG ARG 142 -12.694 -11.580 -2.536 1105 1HD ARG 142 1HD ARG 142 -11.134 -13.040 -4.483 1106 2HD ARG 142 2HD ARG 142 -12.771 -13.664 -4.533 1107 HE ARG 142 HE ARG 142 -13.043 -10.866 -4.444 1108 1HH1 ARG 142 2HH2 ARG 142 -11.563 -13.227 -6.591 1109 2HH1 ARG 142 1HH2 ARG 142 -11.772 -12.258 -8.012 1110 1HH2 ARG 142 2HH1 ARG 142 -13.318 -9.585 -6.317 1111 2HH2 ARG 142 1HH1 ARG 142 -12.777 -10.172 -7.854 1112 H ARG 143 H ARG 143 -8.904 -12.213 0.266 1113 HA ARG 143 HA ARG 143 -7.916 -14.683 1.265 1114 1HB ARG 143 1HB ARG 143 -7.366 -14.390 -1.355 1115 2HB ARG 143 2HB ARG 143 -6.089 -13.356 -0.748 1116 1HG ARG 143 1HG ARG 143 -4.908 -15.317 -0.600 1117 2HG ARG 143 2HG ARG 143 -5.759 -15.497 0.920 1118 1HD ARG 143 1HD ARG 143 -7.603 -16.492 -0.941 1119 2HD ARG 143 2HD ARG 143 -6.067 -17.029 -1.593 1120 HE ARG 143 HE ARG 143 -6.391 -17.483 1.301 1121 1HH1 ARG 143 2HH2 ARG 143 -6.779 -18.820 -1.931 1122 2HH1 ARG 143 1HH2 ARG 143 -6.788 -20.465 -1.389 1123 1HH2 ARG 143 2HH1 ARG 143 -6.404 -19.653 2.017 1124 2HH2 ARG 143 1HH1 ARG 143 -6.573 -20.942 0.872 1125 H GLN 144 H GLN 144 -6.411 -14.295 2.937 1126 HA GLN 144 HA GLN 144 -6.227 -11.654 3.833 1127 1HB GLN 144 1HB GLN 144 -4.951 -14.270 4.689 1128 2HB GLN 144 2HB GLN 144 -4.518 -12.764 5.477 1129 1HG GLN 144 1HG GLN 144 -7.398 -12.858 5.273 1130 2HG GLN 144 2HG GLN 144 -6.857 -14.399 5.906 1131 1HE2 GLN 144 1HE2 GLN 144 -6.469 -14.555 7.981 1132 2HE2 GLN 144 2HE2 GLN 144 -6.195 -13.257 9.094
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