NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20896 | 2gow | 7095 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 2 H SER 2 -4.457 -11.737 10.174 2 HA SER 2 HA SER 2 -7.244 -10.927 10.416 3 1HB SER 2 2HB SER 2 -5.804 -11.480 7.810 4 2HB SER 2 1HB SER 2 -7.485 -10.975 8.036 5 HG SER 2 HG SER 2 -6.161 -9.184 9.300 6 H SER 3 H SER 3 -8.172 -12.674 11.161 7 HA SER 3 HA SER 3 -7.427 -15.277 10.062 8 1HB SER 3 2HB SER 3 -6.450 -14.977 12.330 9 2HB SER 3 1HB SER 3 -8.062 -14.656 12.952 10 HG SER 3 HG SER 3 -6.997 -16.892 12.962 11 H ASN 4 H ASN 4 -9.131 -16.316 9.270 12 HA ASN 4 HA ASN 4 -11.217 -16.867 8.660 13 1HB ASN 4 2HB ASN 4 -11.716 -17.377 10.996 14 2HB ASN 4 1HB ASN 4 -12.031 -15.677 11.331 15 1HD2 ASN 4 1HD2 ASN 4 -13.250 -18.590 9.857 16 2HD2 ASN 4 2HD2 ASN 4 -14.861 -18.034 9.640 17 H VAL 5 H VAL 5 -11.878 -15.857 6.932 18 HA VAL 5 HA VAL 5 -12.235 -12.989 7.051 19 HB VAL 5 HB VAL 5 -12.569 -14.800 4.675 20 1HG1 VAL 5 1HG1 VAL 5 -11.885 -11.885 4.872 21 2HG1 VAL 5 2HG1 VAL 5 -13.458 -12.553 4.444 22 3HG1 VAL 5 3HG1 VAL 5 -12.068 -12.797 3.373 23 1HG2 VAL 5 1HG2 VAL 5 -10.000 -13.481 5.559 24 2HG2 VAL 5 2HG2 VAL 5 -10.296 -14.326 4.031 25 3HG2 VAL 5 3HG2 VAL 5 -10.367 -15.218 5.547 26 HA PRO 6 HA PRO 6 -16.601 -13.990 7.545 27 1HB PRO 6 2HB PRO 6 -17.473 -11.435 7.882 28 2HB PRO 6 1HB PRO 6 -16.716 -12.366 9.178 29 1HG PRO 6 2HG PRO 6 -15.541 -10.263 7.424 30 2HG PRO 6 1HG PRO 6 -15.278 -10.564 9.150 31 1HD PRO 6 2HD PRO 6 -13.537 -11.327 7.191 32 2HD PRO 6 1HD PRO 6 -13.682 -12.156 8.755 33 H ALA 7 H ALA 7 -18.481 -13.617 6.326 34 HA ALA 7 HA ALA 7 -17.987 -13.364 3.550 35 1HB ALA 7 1HB ALA 7 -19.597 -14.944 4.508 36 2HB ALA 7 2HB ALA 7 -20.308 -13.923 3.256 37 3HB ALA 7 3HB ALA 7 -20.628 -13.586 4.958 38 H ASP 8 H ASP 8 -18.170 -10.885 5.574 39 HA ASP 8 HA ASP 8 -19.608 -9.172 3.642 40 1HB ASP 8 2HB ASP 8 -18.814 -8.584 6.505 41 2HB ASP 8 1HB ASP 8 -19.569 -7.429 5.426 42 H MET 9 H MET 9 -16.588 -10.239 4.373 43 HA MET 9 HA MET 9 -15.348 -7.687 3.618 44 1HB MET 9 2HB MET 9 -14.356 -9.632 5.699 45 2HB MET 9 1HB MET 9 -13.542 -8.167 5.188 46 1HG MET 9 2HG MET 9 -16.245 -8.229 6.502 47 2HG MET 9 1HG MET 9 -14.733 -8.012 7.385 48 1HE MET 9 1HE MET 9 -13.547 -4.525 6.140 49 2HE MET 9 2HE MET 9 -13.052 -6.096 5.523 50 3HE MET 9 3HE MET 9 -13.239 -5.856 7.260 51 H ILE 10 H ILE 10 -13.372 -7.928 2.510 52 HA ILE 10 HA ILE 10 -12.817 -10.617 1.577 53 HB ILE 10 HB ILE 10 -11.833 -9.471 -0.521 54 1HG1 ILE 10 2HG1 ILE 10 -13.311 -7.387 -1.067 55 2HG1 ILE 10 1HG1 ILE 10 -13.310 -7.220 0.668 56 1HG2 ILE 10 1HG2 ILE 10 -13.768 -10.771 -0.771 57 2HG2 ILE 10 2HG2 ILE 10 -13.946 -9.237 -1.665 58 3HG2 ILE 10 3HG2 ILE 10 -14.782 -9.455 -0.135 59 1HD1 ILE 10 1HD1 ILE 10 -11.571 -5.853 -0.307 60 2HD1 ILE 10 2HD1 ILE 10 -10.915 -7.271 -1.100 61 3HD1 ILE 10 3HD1 ILE 10 -10.836 -7.146 0.676 62 H ASN 11 H ASN 11 -10.801 -11.395 1.774 63 HA ASN 11 HA ASN 11 -9.014 -9.841 3.461 64 1HB ASN 11 2HB ASN 11 -9.575 -12.277 3.844 65 2HB ASN 11 1HB ASN 11 -8.731 -12.676 2.396 66 1HD2 ASN 11 1HD2 ASN 11 -6.554 -10.725 3.005 67 2HD2 ASN 11 2HD2 ASN 11 -5.581 -11.465 4.225 68 H LEU 12 H LEU 12 -7.548 -8.540 2.533 69 HA LEU 12 HA LEU 12 -6.765 -9.192 -0.201 70 1HB LEU 12 2HB LEU 12 -8.300 -7.425 -0.271 71 2HB LEU 12 1HB LEU 12 -7.534 -6.603 1.067 72 HG LEU 12 HG LEU 12 -5.611 -6.104 -0.351 73 1HD1 LEU 12 1HD1 LEU 12 -7.161 -7.411 -2.572 74 2HD1 LEU 12 2HD1 LEU 12 -5.602 -7.901 -1.856 75 3HD1 LEU 12 3HD1 LEU 12 -5.711 -6.409 -2.750 76 1HD2 LEU 12 1HD2 LEU 12 -8.285 -5.245 -1.394 77 2HD2 LEU 12 2HD2 LEU 12 -6.759 -4.473 -1.812 78 3HD2 LEU 12 3HD2 LEU 12 -7.323 -4.465 -0.141 79 H ARG 13 H ARG 13 -4.710 -9.245 -0.633 80 HA ARG 13 HA ARG 13 -2.814 -8.158 1.312 81 1HB ARG 13 2HB ARG 13 -2.685 -10.596 0.779 82 2HB ARG 13 1HB ARG 13 -2.365 -10.160 -0.884 83 1HG ARG 13 2HG ARG 13 -0.296 -9.133 -0.303 84 2HG ARG 13 1HG ARG 13 -0.631 -9.323 1.420 85 1HD ARG 13 2HD ARG 13 -0.722 -11.684 1.149 86 2HD ARG 13 1HD ARG 13 -0.332 -11.549 -0.573 87 HE ARG 13 HE ARG 13 1.593 -10.296 1.123 88 1HH1 ARG 13 1HH1 ARG 13 0.600 -13.499 -0.064 89 2HH1 ARG 13 2HH1 ARG 13 2.148 -14.159 0.019 90 1HH2 ARG 13 1HH2 ARG 13 3.750 -11.247 1.277 91 2HH2 ARG 13 2HH2 ARG 13 3.982 -12.868 0.801 92 H LEU 14 H LEU 14 -1.936 -6.425 0.768 93 HA LEU 14 HA LEU 14 -1.975 -5.393 -1.980 94 1HB LEU 14 2HB LEU 14 -1.455 -3.877 0.675 95 2HB LEU 14 1HB LEU 14 -1.431 -3.158 -0.910 96 HG LEU 14 HG LEU 14 -3.324 -2.592 0.246 97 1HD1 LEU 14 1HD1 LEU 14 -3.577 -2.771 -2.136 98 2HD1 LEU 14 2HD1 LEU 14 -5.090 -3.215 -1.345 99 3HD1 LEU 14 3HD1 LEU 14 -4.037 -4.471 -2.000 100 1HD2 LEU 14 1HD2 LEU 14 -5.126 -4.203 0.791 101 2HD2 LEU 14 2HD2 LEU 14 -3.665 -4.451 1.770 102 3HD2 LEU 14 3HD2 LEU 14 -4.004 -5.509 0.415 103 H ILE 15 H ILE 15 -0.129 -5.621 -3.144 104 HA ILE 15 HA ILE 15 2.343 -5.831 -1.600 105 HB ILE 15 HB ILE 15 1.898 -6.630 -4.489 106 1HG1 ILE 15 2HG1 ILE 15 1.923 -8.351 -1.969 107 2HG1 ILE 15 1HG1 ILE 15 0.618 -8.105 -3.088 108 1HG2 ILE 15 1HG2 ILE 15 4.196 -7.014 -2.588 109 2HG2 ILE 15 2HG2 ILE 15 4.190 -6.016 -4.039 110 3HG2 ILE 15 3HG2 ILE 15 4.103 -7.780 -4.174 111 1HD1 ILE 15 1HD1 ILE 15 1.665 -10.269 -3.409 112 2HD1 ILE 15 2HD1 ILE 15 3.193 -9.477 -3.798 113 3HD1 ILE 15 3HD1 ILE 15 1.789 -9.255 -4.845 114 H LEU 16 H LEU 16 3.633 -4.200 -1.668 115 HA LEU 16 HA LEU 16 2.982 -2.025 -3.474 116 1HB LEU 16 2HB LEU 16 4.990 -2.098 -1.210 117 2HB LEU 16 1HB LEU 16 4.604 -0.684 -2.162 118 HG LEU 16 HG LEU 16 3.482 -0.384 -0.145 119 1HD1 LEU 16 1HD1 LEU 16 1.111 -0.414 -0.666 120 2HD1 LEU 16 2HD1 LEU 16 1.436 -1.440 -2.060 121 3HD1 LEU 16 3HD1 LEU 16 2.097 0.196 -1.994 122 1HD2 LEU 16 1HD2 LEU 16 3.641 -2.624 0.791 123 2HD2 LEU 16 2HD2 LEU 16 2.405 -3.200 -0.329 124 3HD2 LEU 16 3HD2 LEU 16 1.986 -2.027 0.919 125 H VAL 17 H VAL 17 4.750 -0.837 -4.563 126 HA VAL 17 HA VAL 17 5.954 -2.490 -6.485 127 HB VAL 17 HB VAL 17 6.737 0.372 -5.836 128 1HG1 VAL 17 1HG1 VAL 17 6.995 -1.166 -8.413 129 2HG1 VAL 17 2HG1 VAL 17 8.312 -0.677 -7.348 130 3HG1 VAL 17 3HG1 VAL 17 7.358 0.544 -8.192 131 1HG2 VAL 17 1HG2 VAL 17 4.569 -0.637 -7.665 132 2HG2 VAL 17 2HG2 VAL 17 5.080 1.045 -7.515 133 3HG2 VAL 17 3HG2 VAL 17 4.335 0.222 -6.144 134 H SER 18 H SER 18 7.122 -1.342 -3.473 135 HA SER 18 HA SER 18 9.911 -1.724 -3.945 136 1HB SER 18 2HB SER 18 8.938 -0.126 -2.272 137 2HB SER 18 1HB SER 18 8.416 -1.535 -1.342 138 HG SER 18 HG SER 18 11.000 -0.600 -1.876 139 H GLY 19 H GLY 19 7.413 -3.948 -3.541 140 1HA GLY 19 2HA GLY 19 7.700 -6.255 -3.551 141 2HA GLY 19 1HA GLY 19 9.339 -6.051 -2.959 142 H LYS 20 H LYS 20 7.289 -4.142 -1.211 143 HA LYS 20 HA LYS 20 7.376 -6.001 0.982 144 1HB LYS 20 2HB LYS 20 6.605 -3.084 0.853 145 2HB LYS 20 1HB LYS 20 6.272 -4.045 2.275 146 1HG LYS 20 2HG LYS 20 8.299 -2.732 2.556 147 2HG LYS 20 1HG LYS 20 8.668 -4.450 2.580 148 1HD LYS 20 2HD LYS 20 9.455 -4.307 0.275 149 2HD LYS 20 1HD LYS 20 9.024 -2.600 0.228 150 1HE LYS 20 2HE LYS 20 10.640 -2.130 1.989 151 2HE LYS 20 1HE LYS 20 11.061 -3.837 2.078 152 1HZ LYS 20 1HZ LYS 20 11.388 -2.116 -0.311 153 2HZ LYS 20 2HZ LYS 20 11.904 -3.721 -0.180 154 3HZ LYS 20 3HZ LYS 20 12.629 -2.518 0.735 155 H THR 21 H THR 21 5.610 -7.099 1.750 156 HA THR 21 HA THR 21 3.136 -6.601 0.272 157 HB THR 21 HB THR 21 2.572 -8.905 0.619 158 HG1 THR 21 1HG THR 21 3.780 -9.086 2.649 159 1HG2 THR 21 1HG2 THR 21 3.899 -8.459 -1.353 160 2HG2 THR 21 2HG2 THR 21 4.365 -10.023 -0.688 161 3HG2 THR 21 3HG2 THR 21 5.388 -8.610 -0.423 162 H LYS 22 H LYS 22 1.399 -6.038 1.409 163 HA LYS 22 HA LYS 22 1.444 -6.403 4.360 164 1HB LYS 22 2HB LYS 22 0.089 -4.170 2.813 165 2HB LYS 22 1HB LYS 22 0.162 -4.331 4.556 166 1HG LYS 22 2HG LYS 22 2.502 -3.788 2.731 167 2HG LYS 22 1HG LYS 22 1.673 -2.596 3.724 168 1HD LYS 22 2HD LYS 22 2.383 -3.792 5.742 169 2HD LYS 22 1HD LYS 22 3.190 -5.003 4.743 170 1HE LYS 22 2HE LYS 22 4.638 -3.238 3.804 171 2HE LYS 22 1HE LYS 22 3.827 -2.065 4.838 172 1HZ LYS 22 1HZ LYS 22 4.678 -3.238 6.778 173 2HZ LYS 22 2HZ LYS 22 5.925 -2.756 5.783 174 3HZ LYS 22 3HZ LYS 22 5.469 -4.364 5.798 175 H GLU 23 H GLU 23 -0.528 -7.309 5.197 176 HA GLU 23 HA GLU 23 -2.649 -7.600 3.203 177 1HB GLU 23 2HB GLU 23 -1.225 -9.716 3.426 178 2HB GLU 23 1HB GLU 23 -1.839 -9.830 5.069 179 1HG GLU 23 2HG GLU 23 -4.150 -9.883 4.073 180 2HG GLU 23 1HG GLU 23 -3.390 -9.916 2.519 181 H PHE 24 H PHE 24 -4.595 -7.142 3.975 182 HA PHE 24 HA PHE 24 -5.155 -7.236 6.817 183 1HB PHE 24 2HB PHE 24 -5.499 -4.706 5.179 184 2HB PHE 24 1HB PHE 24 -6.177 -4.966 6.765 185 HD1 PHE 24 1HD PHE 24 -3.219 -4.125 4.854 186 HD2 PHE 24 2HD PHE 24 -4.717 -4.989 8.734 187 HE1 PHE 24 1HE PHE 24 -1.199 -3.128 5.848 188 HE2 PHE 24 2HE PHE 24 -2.700 -3.999 9.738 189 HZ PHE 24 HZ PHE 24 -0.940 -3.065 8.291 190 H LEU 25 H LEU 25 -7.451 -7.015 7.200 191 HA LEU 25 HA LEU 25 -8.987 -8.186 5.051 192 1HB LEU 25 2HB LEU 25 -9.207 -8.872 7.469 193 2HB LEU 25 1HB LEU 25 -9.842 -7.272 7.794 194 HG LEU 25 HG LEU 25 -11.736 -7.728 6.309 195 1HD1 LEU 25 1HD1 LEU 25 -10.578 -10.503 6.197 196 2HD1 LEU 25 2HD1 LEU 25 -10.728 -9.369 4.849 197 3HD1 LEU 25 3HD1 LEU 25 -12.171 -10.020 5.620 198 1HD2 LEU 25 1HD2 LEU 25 -11.927 -8.079 8.708 199 2HD2 LEU 25 2HD2 LEU 25 -11.333 -9.733 8.522 200 3HD2 LEU 25 3HD2 LEU 25 -12.881 -9.265 7.822 201 H PHE 26 H PHE 26 -10.192 -6.924 3.650 202 HA PHE 26 HA PHE 26 -10.885 -4.241 4.551 203 1HB PHE 26 2HB PHE 26 -9.690 -4.977 1.870 204 2HB PHE 26 1HB PHE 26 -10.577 -3.485 2.129 205 HD1 PHE 26 1HD PHE 26 -9.667 -1.777 3.686 206 HD2 PHE 26 2HD PHE 26 -7.381 -5.206 2.575 207 HE1 PHE 26 1HE PHE 26 -7.603 -0.661 4.434 208 HE2 PHE 26 2HE PHE 26 -5.357 -4.101 3.308 209 HZ PHE 26 HZ PHE 26 -5.427 -1.839 4.230 210 H SER 27 H SER 27 -12.580 -3.263 3.071 211 HA SER 27 HA SER 27 -14.670 -5.243 2.814 212 1HB SER 27 2HB SER 27 -14.765 -2.224 2.616 213 2HB SER 27 1HB SER 27 -16.154 -3.310 2.726 214 HG SER 27 HG SER 27 -14.123 -2.958 4.662 215 HA PRO 28 HA PRO 28 -14.096 -5.470 -1.566 216 1HB PRO 28 2HB PRO 28 -16.689 -5.988 -2.367 217 2HB PRO 28 1HB PRO 28 -15.573 -7.175 -1.662 218 1HG PRO 28 2HG PRO 28 -17.712 -5.594 -0.289 219 2HG PRO 28 1HG PRO 28 -17.346 -7.325 -0.161 220 1HD PRO 28 2HD PRO 28 -16.502 -5.635 1.718 221 2HD PRO 28 1HD PRO 28 -15.461 -6.958 1.148 222 H ASN 29 H ASN 29 -16.231 -3.186 -0.163 223 HA ASN 29 HA ASN 29 -16.797 -1.754 -2.601 224 1HB ASN 29 2HB ASN 29 -18.427 -1.814 -0.728 225 2HB ASN 29 1HB ASN 29 -17.279 -0.943 0.280 226 1HD2 ASN 29 1HD2 ASN 29 -17.029 1.280 -0.035 227 2HD2 ASN 29 2HD2 ASN 29 -18.083 2.203 -1.035 228 H ASP 30 H ASP 30 -14.123 -1.879 -0.525 229 HA ASP 30 HA ASP 30 -13.391 0.896 -0.821 230 1HB ASP 30 2HB ASP 30 -11.908 -1.451 0.364 231 2HB ASP 30 1HB ASP 30 -11.153 0.125 0.229 232 H SER 31 H SER 31 -11.475 1.698 -1.901 233 HA SER 31 HA SER 31 -11.085 0.282 -4.397 234 1HB SER 31 2HB SER 31 -9.998 2.467 -5.075 235 2HB SER 31 1HB SER 31 -11.744 2.554 -4.761 236 HG SER 31 HG SER 31 -11.337 3.830 -3.140 237 H ALA 32 H ALA 32 -9.283 -0.565 -5.004 238 HA ALA 32 HA ALA 32 -7.304 -1.459 -3.293 239 1HB ALA 32 1HB ALA 32 -7.857 -2.382 -5.497 240 2HB ALA 32 2HB ALA 32 -6.117 -2.102 -5.303 241 3HB ALA 32 3HB ALA 32 -7.116 -0.961 -6.217 242 H SER 33 H SER 33 -7.134 1.483 -5.369 243 HA SER 33 HA SER 33 -4.398 1.859 -4.701 244 1HB SER 33 2HB SER 33 -4.758 4.083 -5.896 245 2HB SER 33 1HB SER 33 -5.028 2.634 -6.864 246 HG SER 33 HG SER 33 -6.674 3.799 -7.254 247 H ASP 34 H ASP 34 -7.417 3.062 -3.393 248 HA ASP 34 HA ASP 34 -6.269 5.082 -1.723 249 1HB ASP 34 2HB ASP 34 -8.716 4.975 -2.213 250 2HB ASP 34 1HB ASP 34 -8.798 3.444 -1.367 251 H ILE 35 H ILE 35 -7.129 1.721 -1.404 252 HA ILE 35 HA ILE 35 -6.292 1.265 1.223 253 HB ILE 35 HB ILE 35 -6.364 -0.610 -1.141 254 1HG1 ILE 35 2HG1 ILE 35 -8.320 -0.183 1.119 255 2HG1 ILE 35 1HG1 ILE 35 -8.549 0.311 -0.557 256 1HG2 ILE 35 1HG2 ILE 35 -6.118 -1.228 1.782 257 2HG2 ILE 35 2HG2 ILE 35 -4.862 -1.409 0.567 258 3HG2 ILE 35 3HG2 ILE 35 -6.314 -2.412 0.490 259 1HD1 ILE 35 1HD1 ILE 35 -8.290 -2.492 0.469 260 2HD1 ILE 35 2HD1 ILE 35 -8.387 -2.048 -1.216 261 3HD1 ILE 35 3HD1 ILE 35 -9.769 -1.731 -0.144 262 H ALA 36 H ALA 36 -4.491 0.962 -1.849 263 HA ALA 36 HA ALA 36 -2.076 0.055 -0.981 264 1HB ALA 36 1HB ALA 36 -2.480 2.233 -3.026 265 2HB ALA 36 2HB ALA 36 -2.666 0.514 -3.329 266 3HB ALA 36 3HB ALA 36 -1.081 1.164 -2.892 267 H LYS 37 H LYS 37 -3.237 3.394 -0.820 268 HA LYS 37 HA LYS 37 -0.765 4.461 0.170 269 1HB LYS 37 2HB LYS 37 -2.806 5.578 -1.047 270 2HB LYS 37 1HB LYS 37 -3.506 5.655 0.543 271 1HG LYS 37 2HG LYS 37 -0.943 7.034 -0.308 272 2HG LYS 37 1HG LYS 37 -2.515 7.788 -0.271 273 1HD LYS 37 2HD LYS 37 -1.625 8.555 1.718 274 2HD LYS 37 1HD LYS 37 -2.405 7.090 2.282 275 1HE LYS 37 2HE LYS 37 -0.261 5.912 2.161 276 2HE LYS 37 1HE LYS 37 0.504 7.389 1.565 277 1HZ LYS 37 1HZ LYS 37 0.824 7.128 3.980 278 2HZ LYS 37 2HZ LYS 37 -0.853 7.088 4.165 279 3HZ LYS 37 3HZ LYS 37 -0.112 8.498 3.607 280 H HIS 38 H HIS 38 -3.800 3.319 1.512 281 HA HIS 38 HA HIS 38 -3.394 3.928 4.233 282 1HB HIS 38 2HB HIS 38 -5.604 3.323 3.280 283 2HB HIS 38 1HB HIS 38 -5.032 1.695 2.986 284 HD1 HIS 38 1HD HIS 38 -6.910 3.641 5.397 285 HD2 HIS 38 2HD HIS 38 -4.449 0.291 5.541 286 HE1 HIS 38 1HE HIS 38 -7.419 2.526 7.571 287 HE2 HIS 38 2HE HIS 38 -6.160 0.349 7.459 288 H VAL 39 H VAL 39 -2.640 0.954 2.382 289 HA VAL 39 HA VAL 39 -1.600 -0.407 4.645 290 HB VAL 39 HB VAL 39 -0.796 -2.114 3.062 291 1HG1 VAL 39 1HG1 VAL 39 -3.652 -1.174 2.700 292 2HG1 VAL 39 2HG1 VAL 39 -3.061 -2.186 4.004 293 3HG1 VAL 39 3HG1 VAL 39 -3.063 -2.790 2.355 294 1HG2 VAL 39 1HG2 VAL 39 -1.394 -1.917 0.724 295 2HG2 VAL 39 2HG2 VAL 39 -0.341 -0.559 1.182 296 3HG2 VAL 39 3HG2 VAL 39 -2.098 -0.345 1.058 297 H TYR 40 H TYR 40 -0.126 1.565 2.155 298 HA TYR 40 HA TYR 40 2.575 1.111 2.641 299 1HB TYR 40 2HB TYR 40 1.090 3.556 1.840 300 2HB TYR 40 1HB TYR 40 2.700 3.808 2.476 301 HD1 TYR 40 1HD TYR 40 4.520 2.207 1.347 302 HD2 TYR 40 2HD TYR 40 0.857 3.375 -0.458 303 HE1 TYR 40 1HE TYR 40 5.509 1.842 -0.868 304 HE2 TYR 40 2HE TYR 40 1.824 2.999 -2.682 305 HH TYR 40 HH TYR 40 4.088 2.971 -3.694 306 H ASP 41 H ASP 41 0.422 3.242 4.490 307 HA ASP 41 HA ASP 41 1.772 2.771 6.882 308 1HB ASP 41 2HB ASP 41 2.640 5.170 7.277 309 2HB ASP 41 1HB ASP 41 3.604 4.109 6.267 310 H ASN 42 H ASN 42 0.488 5.914 6.039 311 HA ASN 42 HA ASN 42 -1.636 5.419 8.004 312 1HB ASN 42 2HB ASN 42 -0.006 7.157 8.645 313 2HB ASN 42 1HB ASN 42 -0.316 8.009 7.145 314 1HD2 ASN 42 1HD2 ASN 42 -1.651 7.090 10.236 315 2HD2 ASN 42 2HD2 ASN 42 -2.835 8.338 10.314 316 H TRP 43 H TRP 43 -3.661 6.783 7.566 317 HA TRP 43 HA TRP 43 -4.691 5.799 5.161 318 1HB TRP 43 2HB TRP 43 -6.818 6.889 5.819 319 2HB TRP 43 1HB TRP 43 -6.108 5.934 7.113 320 HD1 TRP 43 HD TRP 43 -5.011 7.355 9.184 321 HE1 TRP 43 1HE TRP 43 -5.612 9.693 10.100 322 HE3 TRP 43 3HE TRP 43 -7.629 9.187 5.194 323 HZ2 TRP 43 2HZ TRP 43 -6.990 11.980 9.264 324 HZ3 TRP 43 3HZ TRP 43 -8.556 11.461 5.339 325 HH2 TRP 43 HH TRP 43 -8.242 12.825 7.328 326 HA PRO 44 HA PRO 44 -3.893 9.072 2.189 327 1HB PRO 44 2HB PRO 44 -6.093 8.471 0.627 328 2HB PRO 44 1HB PRO 44 -4.517 7.695 0.482 329 1HG PRO 44 2HG PRO 44 -6.971 6.774 1.891 330 2HG PRO 44 1HG PRO 44 -5.815 5.841 0.927 331 1HD PRO 44 2HD PRO 44 -5.773 5.707 3.548 332 2HD PRO 44 1HD PRO 44 -4.266 5.765 2.634 333 H MET 45 H MET 45 -4.593 11.134 1.980 334 HA MET 45 HA MET 45 -6.977 11.833 3.515 335 1HB MET 45 2HB MET 45 -4.694 13.575 2.583 336 2HB MET 45 1HB MET 45 -6.086 14.153 3.481 337 1HG MET 45 2HG MET 45 -5.473 12.666 5.341 338 2HG MET 45 1HG MET 45 -4.037 12.176 4.443 339 1HE MET 45 1HE MET 45 -3.921 13.312 7.400 340 2HE MET 45 2HE MET 45 -2.525 14.385 7.276 341 3HE MET 45 3HE MET 45 -2.509 12.814 6.472 342 H ASP 46 H ASP 46 -5.413 12.900 0.473 343 HA ASP 46 HA ASP 46 -7.934 12.779 -0.797 344 1HB ASP 46 2HB ASP 46 -8.262 15.107 -1.442 345 2HB ASP 46 1HB ASP 46 -8.267 14.941 0.298 346 H TRP 47 H TRP 47 -6.711 11.325 -1.838 347 HA TRP 47 HA TRP 47 -5.686 10.470 -3.616 348 1HB TRP 47 2HB TRP 47 -7.439 11.806 -4.761 349 2HB TRP 47 1HB TRP 47 -6.303 13.136 -4.905 350 HD1 TRP 47 HD TRP 47 -4.730 13.112 -6.955 351 HE1 TRP 47 1HE TRP 47 -4.369 11.556 -8.918 352 HE3 TRP 47 3HE TRP 47 -7.500 9.154 -5.302 353 HZ2 TRP 47 2HZ TRP 47 -5.162 8.911 -9.700 354 HZ3 TRP 47 3HZ TRP 47 -7.649 7.146 -6.716 355 HH2 TRP 47 HH TRP 47 -6.506 7.028 -8.866 356 H GLU 48 H GLU 48 -3.742 10.224 -2.673 357 HA GLU 48 HA GLU 48 -1.695 12.174 -2.748 358 1HB GLU 48 2HB GLU 48 -1.611 9.201 -2.208 359 2HB GLU 48 1HB GLU 48 -0.223 10.258 -2.068 360 1HG GLU 48 2HG GLU 48 -1.249 9.693 0.084 361 2HG GLU 48 1HG GLU 48 -1.223 11.417 -0.195 362 H GLU 49 H GLU 49 -1.524 12.800 -4.791 363 HA GLU 49 HA GLU 49 -0.680 10.843 -6.772 364 1HB GLU 49 2HB GLU 49 -1.337 12.506 -8.428 365 2HB GLU 49 1HB GLU 49 -2.660 12.157 -7.328 366 1HG GLU 49 2HG GLU 49 -2.089 14.231 -6.074 367 2HG GLU 49 1HG GLU 49 -0.880 14.585 -7.304 368 H GLU 50 H GLU 50 0.625 12.282 -8.494 369 HA GLU 50 HA GLU 50 3.074 13.065 -7.256 370 1HB GLU 50 2HB GLU 50 2.972 11.754 -9.372 371 2HB GLU 50 1HB GLU 50 2.035 13.043 -10.093 372 1HG GLU 50 2HG GLU 50 4.871 13.416 -9.211 373 2HG GLU 50 1HG GLU 50 4.447 12.793 -10.794 374 H GLN 51 H GLN 51 3.854 15.250 -7.241 375 HA GLN 51 HA GLN 51 1.935 17.012 -6.316 376 1HB GLN 51 2HB GLN 51 4.235 17.097 -5.556 377 2HB GLN 51 1HB GLN 51 4.748 17.687 -7.131 378 1HG GLN 51 2HG GLN 51 3.463 19.710 -6.824 379 2HG GLN 51 1HG GLN 51 2.876 19.127 -5.273 380 1HE2 GLN 51 1HE2 GLN 51 4.390 21.499 -5.923 381 2HE2 GLN 51 2HE2 GLN 51 5.832 21.430 -4.977 382 H VAL 52 H VAL 52 3.450 17.144 -9.580 383 HA VAL 52 HA VAL 52 1.840 19.520 -10.048 384 HB VAL 52 HB VAL 52 2.888 19.689 -12.293 385 1HG1 VAL 52 1HG1 VAL 52 4.849 19.365 -10.035 386 2HG1 VAL 52 2HG1 VAL 52 3.946 20.824 -10.451 387 3HG1 VAL 52 3HG1 VAL 52 5.174 20.204 -11.551 388 1HG2 VAL 52 1HG2 VAL 52 3.274 17.322 -12.746 389 2HG2 VAL 52 2HG2 VAL 52 4.478 17.264 -11.462 390 3HG2 VAL 52 3HG2 VAL 52 4.771 18.241 -12.902 391 H SER 53 H SER 53 0.965 16.720 -9.719 392 HA SER 53 HA SER 53 -0.947 15.751 -9.947 393 1HB SER 53 2HB SER 53 -2.032 17.884 -10.445 394 2HB SER 53 1HB SER 53 -1.692 17.649 -12.167 395 HG SER 53 HG SER 53 -3.053 15.787 -10.574 396 H SER 54 H SER 54 -0.892 13.877 -10.458 397 HA SER 54 HA SER 54 -0.992 13.015 -13.195 398 1HB SER 54 2HB SER 54 1.148 11.906 -11.331 399 2HB SER 54 1HB SER 54 0.794 11.367 -12.954 400 HG SER 54 HG SER 54 2.019 13.815 -12.166 401 HA PRO 55 HA PRO 55 -3.744 10.670 -10.415 402 1HB PRO 55 2HB PRO 55 -5.278 10.166 -12.785 403 2HB PRO 55 1HB PRO 55 -5.791 11.038 -11.336 404 1HG PRO 55 2HG PRO 55 -5.401 12.277 -13.730 405 2HG PRO 55 1HG PRO 55 -5.107 13.090 -12.190 406 1HD PRO 55 2HD PRO 55 -3.162 11.880 -14.100 407 2HD PRO 55 1HD PRO 55 -3.026 13.362 -13.125 408 H ASN 56 H ASN 56 -2.392 9.773 -13.517 409 HA ASN 56 HA ASN 56 -3.287 7.055 -13.447 410 1HB ASN 56 2HB ASN 56 -2.903 8.209 -15.583 411 2HB ASN 56 1HB ASN 56 -1.202 8.384 -15.197 412 1HD2 ASN 56 1HD2 ASN 56 -3.707 6.183 -16.149 413 2HD2 ASN 56 2HD2 ASN 56 -2.673 4.922 -16.711 414 H ILE 57 H ILE 57 -0.941 8.536 -11.649 415 HA ILE 57 HA ILE 57 0.971 6.444 -11.771 416 HB ILE 57 HB ILE 57 2.129 7.610 -9.968 417 1HG1 ILE 57 2HG1 ILE 57 1.208 9.999 -9.407 418 2HG1 ILE 57 1HG1 ILE 57 -0.341 9.324 -9.890 419 1HG2 ILE 57 1HG2 ILE 57 2.576 8.265 -12.229 420 2HG2 ILE 57 2HG2 ILE 57 2.638 9.684 -11.184 421 3HG2 ILE 57 3HG2 ILE 57 1.227 9.398 -12.199 422 1HD1 ILE 57 1HD1 ILE 57 -0.090 9.203 -7.475 423 2HD1 ILE 57 2HD1 ILE 57 1.428 8.329 -7.672 424 3HD1 ILE 57 3HD1 ILE 57 -0.074 7.579 -8.172 425 H LEU 58 H LEU 58 -1.962 6.826 -10.160 426 HA LEU 58 HA LEU 58 -1.297 4.684 -8.242 427 1HB LEU 58 2HB LEU 58 -3.690 6.537 -8.355 428 2HB LEU 58 1HB LEU 58 -3.527 5.206 -7.237 429 HG LEU 58 HG LEU 58 -1.815 7.703 -7.290 430 1HD1 LEU 58 1HD1 LEU 58 -3.912 6.775 -5.345 431 2HD1 LEU 58 2HD1 LEU 58 -4.065 8.107 -6.486 432 3HD1 LEU 58 3HD1 LEU 58 -2.893 8.203 -5.168 433 1HD2 LEU 58 1HD2 LEU 58 -0.523 5.748 -6.553 434 2HD2 LEU 58 2HD2 LEU 58 -1.785 5.351 -5.390 435 3HD2 LEU 58 3HD2 LEU 58 -0.856 6.840 -5.209 436 H ARG 59 H ARG 59 -1.515 2.801 -9.226 437 HA ARG 59 HA ARG 59 -4.079 2.279 -10.475 438 1HB ARG 59 2HB ARG 59 -1.441 1.545 -11.722 439 2HB ARG 59 1HB ARG 59 -3.024 0.986 -12.263 440 1HG ARG 59 2HG ARG 59 -3.660 3.216 -12.860 441 2HG ARG 59 1HG ARG 59 -2.136 3.872 -12.233 442 1HD ARG 59 2HD ARG 59 -1.957 3.753 -14.610 443 2HD ARG 59 1HD ARG 59 -0.976 2.450 -13.949 444 HE ARG 59 HE ARG 59 -3.592 1.556 -14.549 445 1HH1 ARG 59 1HH1 ARG 59 -0.489 2.306 -16.040 446 2HH1 ARG 59 2HH1 ARG 59 -0.774 1.445 -17.476 447 1HH2 ARG 59 1HH2 ARG 59 -4.008 0.328 -16.544 448 2HH2 ARG 59 2HH2 ARG 59 -2.823 0.284 -17.756 449 H LEU 60 H LEU 60 -4.428 -0.034 -10.755 450 HA LEU 60 HA LEU 60 -3.074 -1.479 -8.631 451 1HB LEU 60 2HB LEU 60 -5.256 -2.499 -8.097 452 2HB LEU 60 1HB LEU 60 -5.189 -0.776 -7.799 453 HG LEU 60 HG LEU 60 -6.260 -0.656 -10.186 454 1HD1 LEU 60 1HD1 LEU 60 -6.181 -2.965 -10.736 455 2HD1 LEU 60 2HD1 LEU 60 -7.855 -2.416 -10.633 456 3HD1 LEU 60 3HD1 LEU 60 -7.163 -3.379 -9.325 457 1HD2 LEU 60 1HD2 LEU 60 -7.206 0.179 -8.104 458 2HD2 LEU 60 2HD2 LEU 60 -7.949 -1.430 -7.833 459 3HD2 LEU 60 3HD2 LEU 60 -8.399 -0.456 -9.214 460 H ILE 61 H ILE 61 -2.433 -3.467 -9.068 461 HA ILE 61 HA ILE 61 -3.108 -4.558 -11.679 462 HB ILE 61 HB ILE 61 -0.713 -5.024 -9.911 463 1HG1 ILE 61 2HG1 ILE 61 -0.912 -3.757 -12.613 464 2HG1 ILE 61 1HG1 ILE 61 -0.803 -2.850 -11.117 465 1HG2 ILE 61 1HG2 ILE 61 -1.319 -7.064 -11.142 466 2HG2 ILE 61 2HG2 ILE 61 0.157 -6.367 -11.817 467 3HG2 ILE 61 3HG2 ILE 61 -1.380 -6.148 -12.647 468 1HD1 ILE 61 1HD1 ILE 61 1.365 -2.978 -12.230 469 2HD1 ILE 61 2HD1 ILE 61 1.265 -4.740 -12.261 470 3HD1 ILE 61 3HD1 ILE 61 1.426 -3.894 -10.720 471 H TYR 62 H TYR 62 -4.278 -6.242 -11.653 472 HA TYR 62 HA TYR 62 -4.826 -7.585 -9.127 473 1HB TYR 62 2HB TYR 62 -6.691 -6.509 -10.395 474 2HB TYR 62 1HB TYR 62 -6.322 -7.533 -11.770 475 HD1 TYR 62 1HD TYR 62 -6.545 -8.490 -8.180 476 HD2 TYR 62 2HD TYR 62 -8.276 -8.729 -12.043 477 HE1 TYR 62 1HE TYR 62 -8.154 -10.112 -7.339 478 HE2 TYR 62 2HE TYR 62 -9.917 -10.343 -11.227 479 HH TYR 62 HH TYR 62 -10.481 -10.904 -8.011 480 H GLN 63 H GLN 63 -2.450 -8.116 -10.043 481 HA GLN 63 HA GLN 63 -0.972 -9.428 -10.548 482 1HB GLN 63 2HB GLN 63 -2.259 -10.838 -8.967 483 2HB GLN 63 1HB GLN 63 -3.006 -11.624 -10.359 484 1HG GLN 63 2HG GLN 63 -0.819 -11.945 -11.195 485 2HG GLN 63 1HG GLN 63 -0.142 -11.472 -9.677 486 1HE2 GLN 63 1HE2 GLN 63 -1.957 -14.064 -11.173 487 2HE2 GLN 63 2HE2 GLN 63 -1.880 -15.146 -9.836 488 H GLY 64 H GLY 64 -0.361 -8.802 -12.489 489 1HA GLY 64 2HA GLY 64 0.295 -9.488 -14.637 490 2HA GLY 64 1HA GLY 64 -1.115 -10.535 -14.714 491 H ARG 65 H ARG 65 -2.868 -8.338 -13.786 492 HA ARG 65 HA ARG 65 -2.874 -6.687 -16.214 493 1HB ARG 65 2HB ARG 65 -5.365 -6.944 -16.293 494 2HB ARG 65 1HB ARG 65 -4.449 -8.377 -16.722 495 1HG ARG 65 2HG ARG 65 -4.871 -9.299 -14.482 496 2HG ARG 65 1HG ARG 65 -5.791 -7.853 -14.078 497 1HD ARG 65 2HD ARG 65 -7.429 -8.344 -15.762 498 2HD ARG 65 1HD ARG 65 -6.464 -9.682 -16.374 499 HE ARG 65 HE ARG 65 -6.818 -10.596 -14.005 500 1HH1 ARG 65 1HH1 ARG 65 -9.282 -8.745 -15.793 501 2HH1 ARG 65 2HH1 ARG 65 -10.587 -9.578 -15.094 502 1HH2 ARG 65 1HH2 ARG 65 -8.642 -11.767 -13.103 503 2HH2 ARG 65 2HH2 ARG 65 -10.220 -11.330 -13.537 504 H PHE 66 H PHE 66 -3.424 -4.607 -16.014 505 HA PHE 66 HA PHE 66 -3.962 -3.522 -13.362 506 1HB PHE 66 2HB PHE 66 -3.723 -2.148 -16.055 507 2HB PHE 66 1HB PHE 66 -3.782 -1.327 -14.511 508 HD1 PHE 66 1HD PHE 66 -1.714 -3.563 -16.639 509 HD2 PHE 66 2HD PHE 66 -1.781 -0.836 -13.362 510 HE1 PHE 66 1HE PHE 66 0.738 -3.478 -16.661 511 HE2 PHE 66 2HE PHE 66 0.669 -0.763 -13.378 512 HZ PHE 66 HZ PHE 66 1.935 -2.078 -15.024 513 H LEU 67 H LEU 67 -6.089 -3.537 -12.802 514 HA LEU 67 HA LEU 67 -7.988 -3.660 -14.983 515 1HB LEU 67 2HB LEU 67 -8.621 -3.773 -12.037 516 2HB LEU 67 1HB LEU 67 -9.853 -3.758 -13.279 517 HG LEU 67 HG LEU 67 -7.827 -5.914 -12.703 518 1HD1 LEU 67 1HD1 LEU 67 -10.838 -5.915 -12.768 519 2HD1 LEU 67 2HD1 LEU 67 -9.836 -6.012 -11.329 520 3HD1 LEU 67 3HD1 LEU 67 -9.830 -7.324 -12.490 521 1HD2 LEU 67 1HD2 LEU 67 -7.893 -5.670 -15.110 522 2HD2 LEU 67 2HD2 LEU 67 -9.656 -5.661 -15.078 523 3HD2 LEU 67 3HD2 LEU 67 -8.772 -7.122 -14.627 524 H HIS 68 H HIS 68 -7.252 -1.243 -12.549 525 HA HIS 68 HA HIS 68 -7.796 0.788 -14.363 526 1HB HIS 68 2HB HIS 68 -10.198 -0.100 -13.567 527 2HB HIS 68 1HB HIS 68 -9.836 0.895 -12.158 528 HD1 HIS 68 1HD HIS 68 -10.629 3.292 -12.389 529 HD2 HIS 68 2HD HIS 68 -9.959 1.479 -16.055 530 HE1 HIS 68 1HE HIS 68 -11.298 4.973 -14.085 531 HE2 HIS 68 2HE HIS 68 -11.242 3.678 -16.244 532 H GLY 69 H GLY 69 -8.104 2.943 -12.768 533 1HA GLY 69 2HA GLY 69 -5.688 2.836 -11.260 534 2HA GLY 69 1HA GLY 69 -6.663 4.234 -11.637 535 H ASN 70 H ASN 70 -8.968 2.407 -10.324 536 HA ASN 70 HA ASN 70 -8.393 2.589 -7.551 537 1HB ASN 70 2HB ASN 70 -8.396 5.027 -8.078 538 2HB ASN 70 1HB ASN 70 -9.991 4.896 -8.773 539 1HD2 ASN 70 1HD2 ASN 70 -8.138 4.849 -5.801 540 2HD2 ASN 70 2HD2 ASN 70 -9.484 5.171 -4.756 541 H VAL 71 H VAL 71 -9.631 0.840 -9.530 542 HA VAL 71 HA VAL 71 -12.463 0.880 -8.982 543 HB VAL 71 HB VAL 71 -11.589 0.082 -11.179 544 1HG1 VAL 71 1HG1 VAL 71 -10.646 -2.172 -11.373 545 2HG1 VAL 71 2HG1 VAL 71 -10.425 -2.171 -9.617 546 3HG1 VAL 71 3HG1 VAL 71 -9.596 -0.978 -10.626 547 1HG2 VAL 71 1HG2 VAL 71 -13.789 -0.645 -10.489 548 2HG2 VAL 71 2HG2 VAL 71 -13.057 -2.014 -9.645 549 3HG2 VAL 71 3HG2 VAL 71 -12.971 -1.920 -11.404 550 H THR 72 H THR 72 -13.640 -0.697 -7.800 551 HA THR 72 HA THR 72 -12.347 -1.156 -5.317 552 HB THR 72 HB THR 72 -14.641 -1.865 -4.636 553 HG1 THR 72 1HG THR 72 -16.256 -1.796 -6.151 554 1HG2 THR 72 1HG2 THR 72 -13.943 0.489 -4.488 555 2HG2 THR 72 2HG2 THR 72 -15.651 0.362 -4.918 556 3HG2 THR 72 3HG2 THR 72 -14.457 0.743 -6.155 557 H LEU 73 H LEU 73 -12.471 -3.174 -4.150 558 HA LEU 73 HA LEU 73 -11.437 -5.371 -5.512 559 1HB LEU 73 2HB LEU 73 -12.645 -4.991 -2.816 560 2HB LEU 73 1HB LEU 73 -12.024 -6.548 -3.301 561 HG LEU 73 HG LEU 73 -10.429 -5.450 -1.917 562 1HD1 LEU 73 1HD1 LEU 73 -9.517 -5.318 -4.747 563 2HD1 LEU 73 2HD1 LEU 73 -9.529 -6.753 -3.722 564 3HD1 LEU 73 3HD1 LEU 73 -8.463 -5.398 -3.346 565 1HD2 LEU 73 1HD2 LEU 73 -9.358 -3.329 -2.502 566 2HD2 LEU 73 2HD2 LEU 73 -11.083 -3.137 -2.178 567 3HD2 LEU 73 3HD2 LEU 73 -10.490 -3.133 -3.839 568 H GLY 74 H GLY 74 -14.719 -4.725 -4.404 569 1HA GLY 74 2HA GLY 74 -15.846 -7.194 -5.112 570 2HA GLY 74 1HA GLY 74 -16.721 -5.665 -5.036 571 H ALA 75 H ALA 75 -15.215 -4.304 -6.998 572 HA ALA 75 HA ALA 75 -16.532 -5.235 -9.346 573 1HB ALA 75 1HB ALA 75 -14.584 -2.961 -8.978 574 2HB ALA 75 2HB ALA 75 -16.337 -2.851 -8.872 575 3HB ALA 75 3HB ALA 75 -15.568 -3.248 -10.409 576 H LEU 76 H LEU 76 -13.455 -5.841 -7.961 577 HA LEU 76 HA LEU 76 -12.103 -6.551 -10.439 578 1HB LEU 76 2HB LEU 76 -11.445 -7.347 -7.621 579 2HB LEU 76 1HB LEU 76 -10.387 -7.450 -8.998 580 HG LEU 76 HG LEU 76 -11.314 -4.874 -7.702 581 1HD1 LEU 76 1HD1 LEU 76 -9.104 -4.814 -6.809 582 2HD1 LEU 76 2HD1 LEU 76 -8.700 -6.303 -7.655 583 3HD1 LEU 76 3HD1 LEU 76 -9.876 -6.341 -6.346 584 1HD2 LEU 76 1HD2 LEU 76 -9.187 -5.458 -9.697 585 2HD2 LEU 76 2HD2 LEU 76 -9.583 -3.878 -9.022 586 3HD2 LEU 76 3HD2 LEU 76 -10.734 -4.699 -10.103 587 H LYS 77 H LYS 77 -14.529 -7.857 -8.630 588 HA LYS 77 HA LYS 77 -15.594 -9.777 -8.442 589 1HB LYS 77 2HB LYS 77 -13.758 -10.882 -10.607 590 2HB LYS 77 1HB LYS 77 -15.142 -11.735 -9.959 591 1HG LYS 77 2HG LYS 77 -15.777 -10.812 -12.074 592 2HG LYS 77 1HG LYS 77 -16.591 -9.871 -10.830 593 1HD LYS 77 2HD LYS 77 -14.812 -8.172 -11.006 594 2HD LYS 77 1HD LYS 77 -14.065 -9.096 -12.288 595 1HE LYS 77 2HE LYS 77 -16.107 -8.818 -13.659 596 2HE LYS 77 1HE LYS 77 -16.839 -7.898 -12.347 597 1HZ LYS 77 1HZ LYS 77 -15.074 -6.252 -12.572 598 2HZ LYS 77 2HZ LYS 77 -15.941 -6.411 -14.000 599 3HZ LYS 77 3HZ LYS 77 -14.411 -7.106 -13.876 600 H LEU 78 H LEU 78 -14.902 -9.837 -6.354 601 HA LEU 78 HA LEU 78 -13.015 -12.005 -5.782 602 1HB LEU 78 2HB LEU 78 -13.330 -9.381 -4.385 603 2HB LEU 78 1HB LEU 78 -12.818 -10.778 -3.484 604 HG LEU 78 HG LEU 78 -10.812 -10.945 -4.903 605 1HD1 LEU 78 1HD1 LEU 78 -11.817 -8.409 -6.090 606 2HD1 LEU 78 2HD1 LEU 78 -11.708 -9.965 -6.922 607 3HD1 LEU 78 3HD1 LEU 78 -10.234 -9.127 -6.409 608 1HD2 LEU 78 1HD2 LEU 78 -11.285 -8.266 -3.658 609 2HD2 LEU 78 2HD2 LEU 78 -9.707 -8.956 -4.035 610 3HD2 LEU 78 3HD2 LEU 78 -10.743 -9.724 -2.831 611 HA PRO 79 HA PRO 79 -16.605 -13.657 -3.725 612 1HB PRO 79 2HB PRO 79 -14.751 -15.770 -2.917 613 2HB PRO 79 1HB PRO 79 -16.216 -15.903 -3.885 614 1HG PRO 79 2HG PRO 79 -13.632 -16.133 -4.831 615 2HG PRO 79 1HG PRO 79 -15.051 -15.781 -5.843 616 1HD PRO 79 2HD PRO 79 -12.866 -14.056 -4.927 617 2HD PRO 79 1HD PRO 79 -13.945 -13.835 -6.311 618 H PHE 80 H PHE 80 -17.012 -12.868 -1.737 619 HA PHE 80 HA PHE 80 -14.886 -12.145 -0.024 620 1HB PHE 80 2HB PHE 80 -16.868 -11.749 1.653 621 2HB PHE 80 1HB PHE 80 -16.554 -10.614 0.360 622 HD1 PHE 80 1HD PHE 80 -18.271 -9.943 -0.894 623 HD2 PHE 80 2HD PHE 80 -18.561 -13.693 1.074 624 HE1 PHE 80 1HE PHE 80 -20.618 -10.167 -1.670 625 HE2 PHE 80 2HE PHE 80 -20.887 -13.934 0.319 626 HZ PHE 80 HZ PHE 80 -21.920 -12.168 -1.058 627 H GLY 81 H GLY 81 -14.365 -12.802 1.966 628 1HA GLY 81 2HA GLY 81 -14.160 -14.383 3.644 629 2HA GLY 81 1HA GLY 81 -15.177 -15.489 2.788 630 H LYS 82 H LYS 82 -12.793 -14.191 0.698 631 HA LYS 82 HA LYS 82 -10.952 -16.281 1.493 632 1HB LYS 82 2HB LYS 82 -10.615 -17.120 -0.761 633 2HB LYS 82 1HB LYS 82 -12.317 -17.196 -0.380 634 1HG LYS 82 2HG LYS 82 -12.291 -16.527 -2.587 635 2HG LYS 82 1HG LYS 82 -12.450 -14.987 -1.755 636 1HD LYS 82 2HD LYS 82 -10.072 -14.570 -1.985 637 2HD LYS 82 1HD LYS 82 -9.823 -16.167 -2.697 638 1HE LYS 82 2HE LYS 82 -11.307 -15.458 -4.577 639 2HE LYS 82 1HE LYS 82 -11.355 -13.861 -3.809 640 1HZ LYS 82 1HZ LYS 82 -9.713 -14.003 -5.605 641 2HZ LYS 82 2HZ LYS 82 -8.865 -15.174 -4.761 642 3HZ LYS 82 3HZ LYS 82 -9.044 -13.604 -4.115 643 H THR 83 H THR 83 -8.742 -16.043 0.380 644 HA THR 83 HA THR 83 -7.983 -13.269 0.845 645 HB THR 83 HB THR 83 -6.224 -15.698 0.491 646 HG1 THR 83 1HG THR 83 -6.148 -15.535 2.857 647 1HG2 THR 83 1HG2 THR 83 -4.561 -14.313 1.686 648 2HG2 THR 83 2HG2 THR 83 -5.722 -12.991 1.758 649 3HG2 THR 83 3HG2 THR 83 -5.098 -13.529 0.200 650 H THR 84 H THR 84 -7.397 -11.954 -0.631 651 HA THR 84 HA THR 84 -6.738 -13.020 -3.295 652 HB THR 84 HB THR 84 -8.092 -10.397 -2.658 653 HG1 THR 84 1HG THR 84 -9.636 -11.811 -2.330 654 1HG2 THR 84 1HG2 THR 84 -8.525 -10.357 -5.096 655 2HG2 THR 84 2HG2 THR 84 -7.615 -11.858 -5.266 656 3HG2 THR 84 3HG2 THR 84 -6.794 -10.389 -4.752 657 H VAL 85 H VAL 85 -4.829 -12.339 -4.139 658 HA VAL 85 HA VAL 85 -3.346 -10.325 -2.635 659 HB VAL 85 HB VAL 85 -2.284 -12.560 -2.812 660 1HG1 VAL 85 1HG1 VAL 85 -2.234 -12.041 -5.773 661 2HG1 VAL 85 2HG1 VAL 85 -3.158 -13.275 -4.934 662 3HG1 VAL 85 3HG1 VAL 85 -1.393 -13.362 -4.955 663 1HG2 VAL 85 1HG2 VAL 85 -0.075 -11.825 -3.589 664 2HG2 VAL 85 2HG2 VAL 85 -0.857 -10.603 -2.577 665 3HG2 VAL 85 3HG2 VAL 85 -0.822 -10.410 -4.325 666 H MET 86 H MET 86 -2.544 -8.493 -3.638 667 HA MET 86 HA MET 86 -2.989 -8.218 -6.504 668 1HB MET 86 2HB MET 86 -3.919 -6.244 -4.433 669 2HB MET 86 1HB MET 86 -3.789 -5.905 -6.149 670 1HG MET 86 2HG MET 86 -5.422 -7.685 -6.579 671 2HG MET 86 1HG MET 86 -5.590 -7.913 -4.837 672 1HE MET 86 1HE MET 86 -5.082 -4.500 -6.813 673 2HE MET 86 2HE MET 86 -6.778 -4.072 -7.072 674 3HE MET 86 3HE MET 86 -6.106 -5.494 -7.852 675 H HIS 87 H HIS 87 -1.797 -6.587 -7.453 676 HA HIS 87 HA HIS 87 0.561 -5.784 -5.873 677 1HB HIS 87 2HB HIS 87 0.394 -6.167 -8.894 678 2HB HIS 87 1HB HIS 87 1.770 -5.596 -7.924 679 HD1 HIS 87 1HD HIS 87 3.442 -7.370 -7.240 680 HD2 HIS 87 2HD HIS 87 -0.237 -9.032 -8.302 681 HE1 HIS 87 1HE HIS 87 3.742 -9.840 -7.142 682 HE2 HIS 87 2HE HIS 87 1.668 -10.752 -8.131 683 H LEU 88 H LEU 88 0.794 -3.620 -5.609 684 HA LEU 88 HA LEU 88 -1.025 -1.929 -7.182 685 1HB LEU 88 2HB LEU 88 0.006 -1.536 -4.371 686 2HB LEU 88 1HB LEU 88 -0.947 -0.363 -5.246 687 HG LEU 88 HG LEU 88 -2.351 -1.462 -3.664 688 1HD1 LEU 88 1HD1 LEU 88 -3.417 -0.921 -5.735 689 2HD1 LEU 88 2HD1 LEU 88 -4.091 -2.405 -5.057 690 3HD1 LEU 88 3HD1 LEU 88 -2.967 -2.490 -6.409 691 1HD2 LEU 88 1HD2 LEU 88 -1.109 -3.505 -3.285 692 2HD2 LEU 88 2HD2 LEU 88 -1.496 -4.064 -4.908 693 3HD2 LEU 88 3HD2 LEU 88 -2.778 -3.897 -3.711 694 H VAL 89 H VAL 89 -0.248 -0.043 -8.075 695 HA VAL 89 HA VAL 89 2.609 0.362 -7.707 696 HB VAL 89 HB VAL 89 2.818 1.125 -10.051 697 1HG1 VAL 89 1HG1 VAL 89 2.651 -1.065 -11.143 698 2HG1 VAL 89 2HG1 VAL 89 1.710 -1.659 -9.780 699 3HG1 VAL 89 3HG1 VAL 89 3.390 -1.167 -9.544 700 1HG2 VAL 89 1HG2 VAL 89 1.037 0.661 -11.682 701 2HG2 VAL 89 2HG2 VAL 89 0.510 1.818 -10.457 702 3HG2 VAL 89 3HG2 VAL 89 -0.018 0.138 -10.370 703 H ALA 90 H ALA 90 3.293 2.298 -7.290 704 HA ALA 90 HA ALA 90 1.539 4.581 -7.679 705 1HB ALA 90 1HB ALA 90 3.107 4.018 -5.151 706 2HB ALA 90 2HB ALA 90 1.351 3.919 -5.313 707 3HB ALA 90 3HB ALA 90 2.166 5.473 -5.501 708 H ARG 91 H ARG 91 2.657 6.402 -8.363 709 HA ARG 91 HA ARG 91 5.560 6.065 -8.645 710 1HB ARG 91 2HB ARG 91 3.650 6.887 -10.847 711 2HB ARG 91 1HB ARG 91 5.399 6.909 -10.951 712 1HG ARG 91 2HG ARG 91 5.457 4.493 -10.739 713 2HG ARG 91 1HG ARG 91 3.699 4.452 -10.568 714 1HD ARG 91 2HD ARG 91 3.470 5.448 -12.788 715 2HD ARG 91 1HD ARG 91 5.225 5.482 -12.950 716 HE ARG 91 HE ARG 91 4.478 2.880 -12.389 717 1HH1 ARG 91 1HH1 ARG 91 3.997 5.253 -14.977 718 2HH1 ARG 91 2HH1 ARG 91 3.943 4.087 -16.214 719 1HH2 ARG 91 1HH2 ARG 91 4.354 1.275 -14.131 720 2HH2 ARG 91 2HH2 ARG 91 4.133 1.806 -15.737 721 H GLU 92 H GLU 92 6.575 7.819 -7.966 722 HA GLU 92 HA GLU 92 7.092 9.985 -7.412 723 1HB GLU 92 2HB GLU 92 5.054 10.683 -9.530 724 2HB GLU 92 1HB GLU 92 6.348 11.714 -8.941 725 1HG GLU 92 2HG GLU 92 6.665 9.163 -10.505 726 2HG GLU 92 1HG GLU 92 6.901 10.798 -11.112 727 H THR 93 H THR 93 4.820 8.600 -6.128 728 HA THR 93 HA THR 93 2.846 10.549 -5.680 729 HB THR 93 HB THR 93 2.182 8.205 -5.754 730 HG1 THR 93 1HG THR 93 0.724 9.112 -4.422 731 1HG2 THR 93 1HG2 THR 93 4.211 7.141 -4.924 732 2HG2 THR 93 2HG2 THR 93 2.834 6.629 -3.934 733 3HG2 THR 93 3HG2 THR 93 3.949 7.846 -3.333 734 H LEU 94 H LEU 94 2.689 11.803 -3.893 735 HA LEU 94 HA LEU 94 4.893 11.746 -1.974 736 1HB LEU 94 2HB LEU 94 2.788 13.871 -2.462 737 2HB LEU 94 1HB LEU 94 3.937 13.941 -1.154 738 HG LEU 94 HG LEU 94 5.776 14.049 -2.862 739 1HD1 LEU 94 1HD1 LEU 94 4.651 13.055 -4.752 740 2HD1 LEU 94 2HD1 LEU 94 5.234 14.673 -5.147 741 3HD1 LEU 94 3HD1 LEU 94 3.520 14.409 -4.821 742 1HD2 LEU 94 1HD2 LEU 94 5.387 16.395 -3.433 743 2HD2 LEU 94 2HD2 LEU 94 4.963 16.044 -1.757 744 3HD2 LEU 94 3HD2 LEU 94 3.694 16.221 -2.969 745 HA PRO 95 HA PRO 95 2.111 9.955 1.015 746 1HB PRO 95 2HB PRO 95 3.562 10.599 3.275 747 2HB PRO 95 1HB PRO 95 3.905 9.190 2.268 748 1HG PRO 95 2HG PRO 95 5.267 11.836 2.353 749 2HG PRO 95 1HG PRO 95 5.959 10.229 2.083 750 1HD PRO 95 2HD PRO 95 5.496 12.038 0.091 751 2HD PRO 95 1HD PRO 95 5.490 10.289 -0.177 752 H GLU 96 H GLU 96 0.334 11.133 1.124 753 HA GLU 96 HA GLU 96 -1.157 12.680 1.538 754 1HB GLU 96 2HB GLU 96 0.798 13.616 3.664 755 2HB GLU 96 1HB GLU 96 -0.815 14.279 3.484 756 1HG GLU 96 2HG GLU 96 -0.816 12.705 5.291 757 2HG GLU 96 1HG GLU 96 -1.746 12.011 3.972 758 HA PRO 97 HA PRO 97 0.272 15.359 -1.699 759 1HB PRO 97 2HB PRO 97 -2.120 16.865 -1.697 760 2HB PRO 97 1HB PRO 97 -1.705 15.529 -2.777 761 1HG PRO 97 2HG PRO 97 -3.423 15.539 -0.363 762 2HG PRO 97 1HG PRO 97 -3.435 14.454 -1.755 763 1HD PRO 97 2HD PRO 97 -2.547 13.766 0.687 764 2HD PRO 97 1HD PRO 97 -1.935 13.057 -0.827 765 H ASN 98 H ASN 98 -1.826 17.309 0.435 766 HA ASN 98 HA ASN 98 0.536 18.735 1.353 767 1HB ASN 98 2HB ASN 98 -0.330 19.935 -0.741 768 2HB ASN 98 1HB ASN 98 -1.797 20.269 0.166 769 1HD2 ASN 98 1HD2 ASN 98 -1.779 21.912 1.663 770 2HD2 ASN 98 2HD2 ASN 98 -0.464 23.012 1.889 771 H SER 99 H SER 99 -1.780 16.976 2.174 772 HA SER 99 HA SER 99 -2.773 16.446 4.096 773 1HB SER 99 2HB SER 99 -0.748 17.321 5.206 774 2HB SER 99 1HB SER 99 -1.445 18.934 5.223 775 HG SER 99 HG SER 99 -3.211 17.883 6.440 776 H GLN 100 H GLN 100 -4.026 18.524 2.112 777 HA GLN 100 HA GLN 100 -5.807 20.064 3.682 778 1HB GLN 100 2HB GLN 100 -6.090 19.081 0.848 779 2HB GLN 100 1HB GLN 100 -7.401 19.897 1.662 780 1HG GLN 100 2HG GLN 100 -6.289 21.445 0.284 781 2HG GLN 100 1HG GLN 100 -5.924 21.857 1.954 782 1HE2 GLN 100 1HE2 GLN 100 -4.750 20.746 -1.048 783 2HE2 GLN 100 2HE2 GLN 100 -3.077 20.891 -0.724 784 H GLY 101 H GLY 101 -6.215 16.852 2.195 785 1HA GLY 101 2HA GLY 101 -7.681 15.200 2.745 786 2HA GLY 101 1HA GLY 101 -8.115 16.104 4.208 787 H GLN 102 H GLN 102 -8.077 17.292 0.978 788 HA GLN 102 HA GLN 102 -10.634 18.483 1.245 789 1HB GLN 102 2HB GLN 102 -8.844 19.535 -0.041 790 2HB GLN 102 1HB GLN 102 -8.859 18.187 -1.168 791 1HG GLN 102 2HG GLN 102 -11.122 18.766 -1.852 792 2HG GLN 102 1HG GLN 102 -11.143 20.091 -0.693 793 1HE2 GLN 102 1HE2 GLN 102 -8.295 19.270 -2.555 794 2HE2 GLN 102 2HE2 GLN 102 -8.337 20.666 -3.552 795 H ARG 103 H ARG 103 -12.424 17.540 1.027 796 HA ARG 103 HA ARG 103 -12.797 15.418 -0.925 797 1HB ARG 103 2HB ARG 103 -14.041 14.135 0.804 798 2HB ARG 103 1HB ARG 103 -12.323 14.270 1.150 799 1HG ARG 103 2HG ARG 103 -12.796 16.080 2.737 800 2HG ARG 103 1HG ARG 103 -14.518 15.907 2.410 801 1HD ARG 103 2HD ARG 103 -14.421 13.594 3.219 802 2HD ARG 103 1HD ARG 103 -12.699 13.794 3.529 803 HE ARG 103 HE ARG 103 -13.623 15.752 4.996 804 1HH1 ARG 103 1HH1 ARG 103 -14.926 12.487 4.710 805 2HH1 ARG 103 2HH1 ARG 103 -15.474 12.434 6.323 806 1HH2 ARG 103 1HH2 ARG 103 -14.395 15.674 7.159 807 2HH2 ARG 103 2HH2 ARG 103 -15.173 14.265 7.743 808 H ASN 104 H ASN 104 -15.252 14.921 -0.873 809 HA ASN 104 HA ASN 104 -16.634 17.503 -0.857 810 1HB ASN 104 2HB ASN 104 -16.596 15.979 -2.950 811 2HB ASN 104 1HB ASN 104 -17.609 14.870 -2.045 812 1HD2 ASN 104 1HD2 ASN 104 -18.074 16.364 -4.537 813 2HD2 ASN 104 2HD2 ASN 104 -19.534 17.244 -4.308 814 H ARG 105 H ARG 105 -19.048 17.141 -0.123 815 HA ARG 105 HA ARG 105 -18.918 16.470 2.622 816 1HB ARG 105 2HB ARG 105 -21.302 16.951 0.853 817 2HB ARG 105 1HB ARG 105 -21.394 16.754 2.593 818 1HG ARG 105 2HG ARG 105 -19.830 18.925 1.203 819 2HG ARG 105 1HG ARG 105 -21.467 19.119 1.823 820 1HD ARG 105 2HD ARG 105 -19.931 20.031 3.444 821 2HD ARG 105 1HD ARG 105 -20.602 18.546 4.099 822 HE ARG 105 HE ARG 105 -18.050 18.372 2.746 823 1HH1 ARG 105 1HH1 ARG 105 -19.795 18.493 5.865 824 2HH1 ARG 105 2HH1 ARG 105 -18.448 17.970 6.762 825 1HH2 ARG 105 1HH2 ARG 105 -16.216 17.687 4.024 826 2HH2 ARG 105 2HH2 ARG 105 -16.375 17.504 5.712 827 H GLU 106 H GLU 106 -20.557 14.866 -0.065 828 HA GLU 106 HA GLU 106 -21.262 12.735 -0.435 829 1HB GLU 106 2HB GLU 106 -19.002 12.056 1.462 830 2HB GLU 106 1HB GLU 106 -19.728 10.971 0.285 831 1HG GLU 106 2HG GLU 106 -18.199 13.489 -0.355 832 2HG GLU 106 1HG GLU 106 -17.579 11.848 -0.496 833 H LYS 107 H LYS 107 -22.509 14.184 1.717 834 HA LYS 107 HA LYS 107 -23.589 11.996 3.279 835 1HB LYS 107 2HB LYS 107 -21.690 12.779 4.600 836 2HB LYS 107 1HB LYS 107 -22.279 14.425 4.495 837 1HG LYS 107 2HG LYS 107 -24.246 13.813 5.794 838 2HG LYS 107 1HG LYS 107 -23.667 12.152 5.892 839 1HD LYS 107 2HD LYS 107 -21.645 12.939 7.043 840 2HD LYS 107 1HD LYS 107 -22.255 14.595 6.972 841 1HE LYS 107 2HE LYS 107 -22.677 13.619 9.157 842 2HE LYS 107 1HE LYS 107 -24.193 13.916 8.310 843 1HZ LYS 107 1HZ LYS 107 -22.836 11.271 8.478 844 2HZ LYS 107 2HZ LYS 107 -24.327 11.576 7.751 845 3HZ LYS 107 3HZ LYS 107 -24.147 11.768 9.406 846 H THR 108 H THR 108 -25.720 12.242 3.189 847 HA THR 108 HA THR 108 -26.950 14.623 2.377 848 HB THR 108 HB THR 108 -29.049 13.396 3.119 849 HG1 THR 108 1HG THR 108 -28.729 11.174 3.548 850 1HG2 THR 108 1HG2 THR 108 -27.177 11.983 1.210 851 2HG2 THR 108 2HG2 THR 108 -28.223 13.346 0.806 852 3HG2 THR 108 3HG2 THR 108 -28.930 11.798 1.258 853 H GLY 109 H GLY 109 -27.743 16.265 3.521 854 1HA GLY 109 2HA GLY 109 -28.661 17.085 5.670 855 2HA GLY 109 1HA GLY 109 -27.366 16.169 6.446 856 H GLU 110 H GLU 110 -25.569 16.708 4.297 857 HA GLU 110 HA GLU 110 -24.641 19.345 5.061 858 1HB GLU 110 2HB GLU 110 -23.428 17.098 3.458 859 2HB GLU 110 1HB GLU 110 -22.631 18.629 3.765 860 1HG GLU 110 2HG GLU 110 -23.498 16.688 5.896 861 2HG GLU 110 1HG GLU 110 -21.873 16.779 5.222 862 H SER 111 H SER 111 -23.428 20.309 2.953 863 HA SER 111 HA SER 111 -23.466 21.244 0.907 864 1HB SER 111 2HB SER 111 -25.418 19.055 0.135 865 2HB SER 111 1HB SER 111 -24.484 20.064 -0.974 866 HG SER 111 HG SER 111 -23.650 18.024 0.748 867 H ASN 112 H ASN 112 -24.352 23.205 1.262 868 HA ASN 112 HA ASN 112 -27.255 23.431 1.366 869 1HB ASN 112 2HB ASN 112 -25.100 25.473 1.937 870 2HB ASN 112 1HB ASN 112 -26.824 25.813 1.991 871 1HD2 ASN 112 1HD2 ASN 112 -24.785 25.965 4.044 872 2HD2 ASN 112 2HD2 ASN 112 -25.313 24.961 5.341 873 H CYS 113 H CYS 113 -28.045 23.387 -0.606 874 HA CYS 113 HA CYS 113 -26.744 24.861 -2.727 875 1HB CYS 113 2HB CYS 113 -29.197 23.091 -2.744 876 2HB CYS 113 1HB CYS 113 -28.401 23.757 -4.163 877 HG CYS 113 HG CYS 113 -26.149 22.285 -4.004 878 H CYS 114 H CYS 114 -28.085 26.345 -4.043 879 HA CYS 114 HA CYS 114 -29.497 28.116 -2.351 880 1HB CYS 114 2HB CYS 114 -29.187 28.137 -5.360 881 2HB CYS 114 1HB CYS 114 -29.794 29.468 -4.382 882 HG CYS 114 HG CYS 114 -27.279 30.238 -5.038 883 H VAL 115 H VAL 115 -31.653 28.496 -2.226 884 HA VAL 115 HA VAL 115 -33.403 26.650 -3.676 885 HB VAL 115 HB VAL 115 -34.943 26.717 -1.713 886 1HG1 VAL 115 1HG1 VAL 115 -33.422 24.848 -1.938 887 2HG1 VAL 115 2HG1 VAL 115 -33.633 25.257 -0.236 888 3HG1 VAL 115 3HG1 VAL 115 -32.162 25.738 -1.083 889 1HG2 VAL 115 1HG2 VAL 115 -34.129 27.535 0.459 890 2HG2 VAL 115 2HG2 VAL 115 -34.230 28.836 -0.729 891 3HG2 VAL 115 3HG2 VAL 115 -32.667 28.137 -0.323 892 H ILE 116 H ILE 116 -35.472 27.457 -4.204 893 HA ILE 116 HA ILE 116 -36.251 30.057 -3.609 894 HB ILE 116 HB ILE 116 -34.583 30.793 -5.190 895 1HG1 ILE 116 2HG1 ILE 116 -35.965 31.976 -6.912 896 2HG1 ILE 116 1HG1 ILE 116 -37.331 30.974 -6.441 897 1HG2 ILE 116 1HG2 ILE 116 -35.749 28.918 -7.216 898 2HG2 ILE 116 2HG2 ILE 116 -34.164 28.824 -6.454 899 3HG2 ILE 116 3HG2 ILE 116 -34.534 30.149 -7.559 900 1HD1 ILE 116 1HD1 ILE 116 -37.430 33.188 -5.435 901 2HD1 ILE 116 2HD1 ILE 116 -35.879 32.902 -4.637 902 3HD1 ILE 116 3HD1 ILE 116 -37.287 31.927 -4.215 903 H LEU 117 H LEU 117 -37.948 28.833 -2.927 904 HA LEU 117 HA LEU 117 -40.158 28.753 -4.614 905 1HB LEU 117 2HB LEU 117 -38.822 26.627 -5.359 906 2HB LEU 117 1HB LEU 117 -39.206 25.983 -3.787 907 HG LEU 117 HG LEU 117 -41.194 26.679 -5.954 908 1HD1 LEU 117 1HD1 LEU 117 -41.527 24.264 -6.117 909 2HD1 LEU 117 2HD1 LEU 117 -40.233 24.018 -4.948 910 3HD1 LEU 117 3HD1 LEU 117 -39.880 24.749 -6.515 911 1HD2 LEU 117 1HD2 LEU 117 -42.876 25.555 -4.568 912 2HD2 LEU 117 2HD2 LEU 117 -42.200 26.947 -3.718 913 3HD2 LEU 117 3HD2 LEU 117 -41.675 25.315 -3.302 Start of MODEL 2 1 H SER 2 H SER 2 -13.760 -10.633 15.604 2 HA SER 2 HA SER 2 -13.336 -11.823 13.004 3 1HB SER 2 2HB SER 2 -12.175 -9.730 12.402 4 2HB SER 2 1HB SER 2 -13.881 -9.512 12.790 5 HG SER 2 HG SER 2 -12.931 -9.022 15.027 6 H SER 3 H SER 3 -12.018 -13.325 13.141 7 HA SER 3 HA SER 3 -9.207 -12.770 13.644 8 1HB SER 3 2HB SER 3 -10.667 -15.110 14.932 9 2HB SER 3 1HB SER 3 -8.925 -14.840 14.994 10 HG SER 3 HG SER 3 -10.066 -12.616 15.757 11 H ASN 4 H ASN 4 -11.278 -13.327 11.581 12 HA ASN 4 HA ASN 4 -9.913 -15.247 9.934 13 1HB ASN 4 2HB ASN 4 -12.894 -15.445 10.543 14 2HB ASN 4 1HB ASN 4 -12.009 -16.427 9.391 15 1HD2 ASN 4 1HD2 ASN 4 -10.722 -18.123 10.170 16 2HD2 ASN 4 2HD2 ASN 4 -10.869 -18.710 11.782 17 H VAL 5 H VAL 5 -11.598 -15.097 7.804 18 HA VAL 5 HA VAL 5 -11.780 -12.234 7.419 19 HB VAL 5 HB VAL 5 -12.332 -14.446 5.455 20 1HG1 VAL 5 1HG1 VAL 5 -13.284 -12.302 4.855 21 2HG1 VAL 5 2HG1 VAL 5 -11.949 -12.695 3.766 22 3HG1 VAL 5 3HG1 VAL 5 -11.718 -11.517 5.060 23 1HG2 VAL 5 1HG2 VAL 5 -9.751 -12.948 5.895 24 2HG2 VAL 5 2HG2 VAL 5 -10.067 -14.096 4.593 25 3HG2 VAL 5 3HG2 VAL 5 -10.047 -14.644 6.271 26 HA PRO 6 HA PRO 6 -16.159 -12.664 8.466 27 1HB PRO 6 2HB PRO 6 -16.275 -9.860 7.575 28 2HB PRO 6 1HB PRO 6 -16.716 -10.555 9.135 29 1HG PRO 6 2HG PRO 6 -14.522 -9.050 8.776 30 2HG PRO 6 1HG PRO 6 -14.583 -10.364 9.967 31 1HD PRO 6 2HD PRO 6 -13.252 -10.266 7.297 32 2HD PRO 6 1HD PRO 6 -12.772 -11.101 8.784 33 H ALA 7 H ALA 7 -18.174 -12.206 7.320 34 HA ALA 7 HA ALA 7 -17.918 -12.837 4.509 35 1HB ALA 7 1HB ALA 7 -19.341 -14.243 5.924 36 2HB ALA 7 2HB ALA 7 -20.281 -13.422 4.679 37 3HB ALA 7 3HB ALA 7 -20.316 -12.831 6.342 38 H ASP 8 H ASP 8 -17.787 -10.177 6.081 39 HA ASP 8 HA ASP 8 -19.421 -8.702 4.145 40 1HB ASP 8 2HB ASP 8 -18.577 -7.747 6.905 41 2HB ASP 8 1HB ASP 8 -19.523 -6.822 5.755 42 H MET 9 H MET 9 -16.383 -9.639 4.929 43 HA MET 9 HA MET 9 -15.163 -7.188 3.871 44 1HB MET 9 2HB MET 9 -13.993 -9.037 5.949 45 2HB MET 9 1HB MET 9 -13.222 -7.603 5.304 46 1HG MET 9 2HG MET 9 -15.745 -7.648 6.921 47 2HG MET 9 1HG MET 9 -14.147 -7.287 7.572 48 1HE MET 9 1HE MET 9 -13.352 -3.856 5.926 49 2HE MET 9 2HE MET 9 -12.858 -5.457 5.376 50 3HE MET 9 3HE MET 9 -12.828 -5.077 7.097 51 H ILE 10 H ILE 10 -13.386 -7.583 2.568 52 HA ILE 10 HA ILE 10 -13.053 -10.365 1.847 53 HB ILE 10 HB ILE 10 -12.229 -9.513 -0.423 54 1HG1 ILE 10 2HG1 ILE 10 -13.374 -7.286 -1.058 55 2HG1 ILE 10 1HG1 ILE 10 -13.325 -6.993 0.669 56 1HG2 ILE 10 1HG2 ILE 10 -15.089 -9.047 0.274 57 2HG2 ILE 10 2HG2 ILE 10 -14.336 -10.541 -0.356 58 3HG2 ILE 10 3HG2 ILE 10 -14.406 -9.075 -1.345 59 1HD1 ILE 10 1HD1 ILE 10 -11.008 -7.513 -1.125 60 2HD1 ILE 10 2HD1 ILE 10 -10.880 -7.210 0.624 61 3HD1 ILE 10 3HD1 ILE 10 -11.472 -5.941 -0.488 62 H ASN 11 H ASN 11 -10.997 -11.209 1.660 63 HA ASN 11 HA ASN 11 -9.076 -9.796 3.333 64 1HB ASN 11 2HB ASN 11 -9.675 -12.161 3.714 65 2HB ASN 11 1HB ASN 11 -9.044 -12.601 2.165 66 1HD2 ASN 11 1HD2 ASN 11 -6.652 -10.649 2.720 67 2HD2 ASN 11 2HD2 ASN 11 -5.685 -11.569 3.812 68 H LEU 12 H LEU 12 -7.606 -8.533 2.346 69 HA LEU 12 HA LEU 12 -6.806 -9.301 -0.349 70 1HB LEU 12 2HB LEU 12 -8.354 -7.530 -0.530 71 2HB LEU 12 1HB LEU 12 -7.577 -6.627 0.744 72 HG LEU 12 HG LEU 12 -5.657 -6.228 -0.703 73 1HD1 LEU 12 1HD1 LEU 12 -5.756 -6.730 -3.061 74 2HD1 LEU 12 2HD1 LEU 12 -7.204 -7.724 -2.806 75 3HD1 LEU 12 3HD1 LEU 12 -5.645 -8.147 -2.034 76 1HD2 LEU 12 1HD2 LEU 12 -7.415 -4.622 -0.630 77 2HD2 LEU 12 2HD2 LEU 12 -8.317 -5.509 -1.856 78 3HD2 LEU 12 3HD2 LEU 12 -6.792 -4.726 -2.281 79 H ARG 13 H ARG 13 -4.714 -9.388 -0.692 80 HA ARG 13 HA ARG 13 -2.922 -8.138 1.246 81 1HB ARG 13 2HB ARG 13 -2.742 -10.624 0.960 82 2HB ARG 13 1HB ARG 13 -2.367 -10.340 -0.723 83 1HG ARG 13 2HG ARG 13 -0.298 -9.395 -0.254 84 2HG ARG 13 1HG ARG 13 -0.700 -9.131 1.446 85 1HD ARG 13 2HD ARG 13 0.800 -11.012 1.236 86 2HD ARG 13 1HD ARG 13 -0.798 -11.510 1.800 87 HE ARG 13 HE ARG 13 0.188 -11.875 -0.946 88 1HH1 ARG 13 1HH1 ARG 13 -1.866 -12.997 1.778 89 2HH1 ARG 13 2HH1 ARG 13 -2.209 -14.493 1.048 90 1HH2 ARG 13 1HH2 ARG 13 -0.344 -13.969 -1.912 91 2HH2 ARG 13 2HH2 ARG 13 -1.333 -15.058 -1.085 92 H LEU 14 H LEU 14 -2.038 -6.466 0.618 93 HA LEU 14 HA LEU 14 -1.964 -5.650 -2.196 94 1HB LEU 14 2HB LEU 14 -1.571 -3.965 0.343 95 2HB LEU 14 1HB LEU 14 -1.545 -3.333 -1.279 96 HG LEU 14 HG LEU 14 -3.489 -2.752 -0.211 97 1HD1 LEU 14 1HD1 LEU 14 -3.662 -3.068 -2.543 98 2HD1 LEU 14 2HD1 LEU 14 -5.182 -3.552 -1.788 99 3HD1 LEU 14 3HD1 LEU 14 -4.036 -4.782 -2.347 100 1HD2 LEU 14 1HD2 LEU 14 -3.840 -4.510 1.450 101 2HD2 LEU 14 2HD2 LEU 14 -4.057 -5.670 0.169 102 3HD2 LEU 14 3HD2 LEU 14 -5.258 -4.387 0.392 103 H ILE 15 H ILE 15 -0.079 -5.886 -3.244 104 HA ILE 15 HA ILE 15 2.316 -5.998 -1.588 105 HB ILE 15 HB ILE 15 2.070 -6.853 -4.489 106 1HG1 ILE 15 2HG1 ILE 15 1.872 -8.523 -1.940 107 2HG1 ILE 15 1HG1 ILE 15 0.667 -8.292 -3.173 108 1HG2 ILE 15 1HG2 ILE 15 4.182 -7.254 -2.381 109 2HG2 ILE 15 2HG2 ILE 15 4.323 -6.235 -3.809 110 3HG2 ILE 15 3HG2 ILE 15 4.235 -8.000 -3.983 111 1HD1 ILE 15 1HD1 ILE 15 3.283 -9.699 -3.625 112 2HD1 ILE 15 2HD1 ILE 15 1.986 -9.486 -4.802 113 3HD1 ILE 15 3HD1 ILE 15 1.720 -10.472 -3.364 114 H LEU 16 H LEU 16 3.589 -4.392 -1.610 115 HA LEU 16 HA LEU 16 3.034 -2.101 -3.310 116 1HB LEU 16 2HB LEU 16 5.168 -2.469 -1.208 117 2HB LEU 16 1HB LEU 16 4.742 -0.957 -1.982 118 HG LEU 16 HG LEU 16 2.949 -2.557 -0.154 119 1HD1 LEU 16 1HD1 LEU 16 4.389 0.047 0.303 120 2HD1 LEU 16 2HD1 LEU 16 4.807 -1.508 1.017 121 3HD1 LEU 16 3HD1 LEU 16 3.276 -0.737 1.427 122 1HD2 LEU 16 1HD2 LEU 16 1.655 -1.341 -1.835 123 2HD2 LEU 16 2HD2 LEU 16 2.532 0.138 -1.452 124 3HD2 LEU 16 3HD2 LEU 16 1.471 -0.596 -0.248 125 H VAL 17 H VAL 17 4.829 -0.940 -4.398 126 HA VAL 17 HA VAL 17 6.204 -2.554 -6.283 127 HB VAL 17 HB VAL 17 6.812 0.337 -5.565 128 1HG1 VAL 17 1HG1 VAL 17 8.510 -0.641 -6.984 129 2HG1 VAL 17 2HG1 VAL 17 7.573 0.548 -7.893 130 3HG1 VAL 17 3HG1 VAL 17 7.282 -1.174 -8.131 131 1HG2 VAL 17 1HG2 VAL 17 4.804 -0.719 -7.549 132 2HG2 VAL 17 2HG2 VAL 17 5.247 0.976 -7.347 133 3HG2 VAL 17 3HG2 VAL 17 4.441 0.112 -6.037 134 H SER 18 H SER 18 6.949 -1.459 -3.155 135 HA SER 18 HA SER 18 9.801 -1.603 -3.146 136 1HB SER 18 2HB SER 18 7.821 -1.785 -0.901 137 2HB SER 18 1HB SER 18 9.502 -1.245 -0.806 138 HG SER 18 HG SER 18 8.961 0.627 -1.600 139 H GLY 19 H GLY 19 7.467 -4.042 -3.417 140 1HA GLY 19 2HA GLY 19 7.753 -6.319 -3.336 141 2HA GLY 19 1HA GLY 19 9.361 -6.074 -2.654 142 H LYS 20 H LYS 20 7.147 -4.244 -1.072 143 HA LYS 20 HA LYS 20 7.256 -5.958 1.265 144 1HB LYS 20 2HB LYS 20 6.074 -3.197 0.916 145 2HB LYS 20 1HB LYS 20 6.286 -4.040 2.441 146 1HG LYS 20 2HG LYS 20 8.465 -3.019 0.619 147 2HG LYS 20 1HG LYS 20 7.995 -2.353 2.187 148 1HD LYS 20 2HD LYS 20 8.609 -4.587 3.180 149 2HD LYS 20 1HD LYS 20 9.217 -4.995 1.568 150 1HE LYS 20 2HE LYS 20 10.822 -3.222 1.644 151 2HE LYS 20 1HE LYS 20 10.195 -2.662 3.196 152 1HZ LYS 20 1HZ LYS 20 11.505 -5.286 2.699 153 2HZ LYS 20 2HZ LYS 20 10.880 -4.780 4.171 154 3HZ LYS 20 3HZ LYS 20 12.188 -3.968 3.493 155 H THR 21 H THR 21 5.552 -7.130 1.938 156 HA THR 21 HA THR 21 3.081 -6.751 0.429 157 HB THR 21 HB THR 21 2.565 -9.030 0.920 158 HG1 THR 21 1HG THR 21 4.235 -8.842 2.858 159 1HG2 THR 21 1HG2 THR 21 3.766 -8.670 -1.126 160 2HG2 THR 21 2HG2 THR 21 4.365 -10.167 -0.411 161 3HG2 THR 21 3HG2 THR 21 5.308 -8.679 -0.278 162 H LYS 22 H LYS 22 1.364 -6.150 1.544 163 HA LYS 22 HA LYS 22 1.320 -6.677 4.428 164 1HB LYS 22 2HB LYS 22 0.470 -4.059 3.132 165 2HB LYS 22 1HB LYS 22 0.307 -4.461 4.837 166 1HG LYS 22 2HG LYS 22 2.755 -4.605 5.035 167 2HG LYS 22 1HG LYS 22 2.912 -4.179 3.334 168 1HD LYS 22 2HD LYS 22 1.786 -2.024 3.813 169 2HD LYS 22 1HD LYS 22 1.730 -2.462 5.520 170 1HE LYS 22 2HE LYS 22 4.181 -2.570 5.570 171 2HE LYS 22 1HE LYS 22 4.232 -2.146 3.862 172 1HZ LYS 22 1HZ LYS 22 3.214 0.026 4.440 173 2HZ LYS 22 2HZ LYS 22 4.658 -0.219 5.246 174 3HZ LYS 22 3HZ LYS 22 3.234 -0.402 6.071 175 H GLU 23 H GLU 23 -0.712 -7.278 5.215 176 HA GLU 23 HA GLU 23 -2.767 -7.524 3.130 177 1HB GLU 23 2HB GLU 23 -1.396 -9.615 3.539 178 2HB GLU 23 1HB GLU 23 -2.085 -9.639 5.150 179 1HG GLU 23 2HG GLU 23 -4.347 -9.714 4.068 180 2HG GLU 23 1HG GLU 23 -3.530 -9.860 2.552 181 H PHE 24 H PHE 24 -4.739 -6.955 3.810 182 HA PHE 24 HA PHE 24 -5.375 -6.907 6.643 183 1HB PHE 24 2HB PHE 24 -5.530 -4.461 4.876 184 2HB PHE 24 1HB PHE 24 -6.298 -4.578 6.436 185 HD1 PHE 24 1HD PHE 24 -3.204 -4.028 4.632 186 HD2 PHE 24 2HD PHE 24 -4.906 -4.604 8.487 187 HE1 PHE 24 1HE PHE 24 -1.155 -3.135 5.664 188 HE2 PHE 24 2HE PHE 24 -2.868 -3.718 9.525 189 HZ PHE 24 HZ PHE 24 -0.984 -2.980 8.114 190 H LEU 25 H LEU 25 -7.667 -6.626 6.984 191 HA LEU 25 HA LEU 25 -9.268 -7.765 4.862 192 1HB LEU 25 2HB LEU 25 -10.069 -6.660 7.556 193 2HB LEU 25 1HB LEU 25 -11.088 -7.589 6.485 194 HG LEU 25 HG LEU 25 -8.636 -8.624 7.903 195 1HD1 LEU 25 1HD1 LEU 25 -11.575 -9.050 8.394 196 2HD1 LEU 25 2HD1 LEU 25 -10.476 -8.128 9.411 197 3HD1 LEU 25 3HD1 LEU 25 -10.269 -9.877 9.250 198 1HD2 LEU 25 1HD2 LEU 25 -9.409 -10.820 7.123 199 2HD2 LEU 25 2HD2 LEU 25 -9.031 -9.755 5.770 200 3HD2 LEU 25 3HD2 LEU 25 -10.713 -10.034 6.228 201 H PHE 26 H PHE 26 -10.330 -6.503 3.417 202 HA PHE 26 HA PHE 26 -10.950 -3.772 4.230 203 1HB PHE 26 2HB PHE 26 -9.832 -4.646 1.563 204 2HB PHE 26 1HB PHE 26 -10.618 -3.092 1.809 205 HD1 PHE 26 1HD PHE 26 -7.553 -5.005 2.220 206 HD2 PHE 26 2HD PHE 26 -9.597 -1.441 3.358 207 HE1 PHE 26 1HE PHE 26 -5.451 -4.032 2.938 208 HE2 PHE 26 2HE PHE 26 -7.466 -0.464 4.094 209 HZ PHE 26 HZ PHE 26 -5.379 -1.767 3.873 210 H SER 27 H SER 27 -12.714 -2.840 2.899 211 HA SER 27 HA SER 27 -14.710 -4.896 2.715 212 1HB SER 27 2HB SER 27 -16.309 -3.074 2.505 213 2HB SER 27 1HB SER 27 -15.206 -2.714 3.809 214 HG SER 27 HG SER 27 -13.991 -1.411 2.245 215 HA PRO 28 HA PRO 28 -14.328 -5.401 -1.666 216 1HB PRO 28 2HB PRO 28 -16.949 -5.930 -2.343 217 2HB PRO 28 1HB PRO 28 -15.924 -7.068 -1.432 218 1HG PRO 28 2HG PRO 28 -17.819 -5.048 -0.320 219 2HG PRO 28 1HG PRO 28 -17.777 -6.806 -0.050 220 1HD PRO 28 2HD PRO 28 -16.606 -5.252 1.727 221 2HD PRO 28 1HD PRO 28 -15.723 -6.679 1.113 222 H ASN 29 H ASN 29 -16.077 -2.909 -0.192 223 HA ASN 29 HA ASN 29 -16.856 -1.495 -2.594 224 1HB ASN 29 2HB ASN 29 -18.336 -1.453 -0.629 225 2HB ASN 29 1HB ASN 29 -17.061 -0.722 0.330 226 1HD2 ASN 29 1HD2 ASN 29 -16.689 1.487 0.142 227 2HD2 ASN 29 2HD2 ASN 29 -17.716 2.530 -0.766 228 H ASP 30 H ASP 30 -14.074 -1.686 -0.584 229 HA ASP 30 HA ASP 30 -13.155 0.980 -1.043 230 1HB ASP 30 2HB ASP 30 -11.751 -1.483 -0.020 231 2HB ASP 30 1HB ASP 30 -10.829 -0.046 -0.418 232 H SER 31 H SER 31 -11.400 1.632 -2.336 233 HA SER 31 HA SER 31 -11.304 0.195 -4.877 234 1HB SER 31 2HB SER 31 -10.245 2.944 -4.142 235 2HB SER 31 1HB SER 31 -10.419 2.282 -5.768 236 HG SER 31 HG SER 31 -12.517 2.728 -3.936 237 H ALA 32 H ALA 32 -9.472 -0.891 -5.444 238 HA ALA 32 HA ALA 32 -7.530 -1.707 -3.632 239 1HB ALA 32 1HB ALA 32 -8.070 -2.797 -5.782 240 2HB ALA 32 2HB ALA 32 -6.326 -2.582 -5.532 241 3HB ALA 32 3HB ALA 32 -7.226 -1.476 -6.580 242 H SER 33 H SER 33 -7.282 1.080 -5.856 243 HA SER 33 HA SER 33 -4.540 1.512 -5.235 244 1HB SER 33 2HB SER 33 -5.014 3.631 -6.540 245 2HB SER 33 1HB SER 33 -5.238 2.103 -7.398 246 HG SER 33 HG SER 33 -6.979 3.460 -7.737 247 H ASP 34 H ASP 34 -7.577 2.675 -4.041 248 HA ASP 34 HA ASP 34 -6.649 4.857 -2.420 249 1HB ASP 34 2HB ASP 34 -9.036 4.479 -3.030 250 2HB ASP 34 1HB ASP 34 -9.028 2.986 -2.110 251 H ILE 35 H ILE 35 -7.232 1.468 -2.011 252 HA ILE 35 HA ILE 35 -6.419 1.165 0.655 253 HB ILE 35 HB ILE 35 -6.385 -0.804 -1.636 254 1HG1 ILE 35 2HG1 ILE 35 -8.401 -0.359 0.561 255 2HG1 ILE 35 1HG1 ILE 35 -8.604 0.080 -1.135 256 1HG2 ILE 35 1HG2 ILE 35 -4.894 -1.464 0.145 257 2HG2 ILE 35 2HG2 ILE 35 -6.307 -2.523 0.056 258 3HG2 ILE 35 3HG2 ILE 35 -6.199 -1.297 1.318 259 1HD1 ILE 35 1HD1 ILE 35 -8.454 -2.258 -1.755 260 2HD1 ILE 35 2HD1 ILE 35 -9.763 -1.985 -0.592 261 3HD1 ILE 35 3HD1 ILE 35 -8.235 -2.695 -0.066 262 H ALA 36 H ALA 36 -4.610 0.800 -2.421 263 HA ALA 36 HA ALA 36 -2.159 0.091 -1.548 264 1HB ALA 36 1HB ALA 36 -2.773 0.454 -3.907 265 2HB ALA 36 2HB ALA 36 -1.241 1.214 -3.491 266 3HB ALA 36 3HB ALA 36 -2.702 2.193 -3.632 267 H LYS 37 H LYS 37 -3.548 3.389 -1.383 268 HA LYS 37 HA LYS 37 -1.138 4.533 -0.422 269 1HB LYS 37 2HB LYS 37 -3.982 5.451 -0.537 270 2HB LYS 37 1HB LYS 37 -2.768 6.495 0.142 271 1HG LYS 37 2HG LYS 37 -1.572 6.315 -2.105 272 2HG LYS 37 1HG LYS 37 -3.010 5.483 -2.695 273 1HD LYS 37 2HD LYS 37 -4.383 7.437 -2.142 274 2HD LYS 37 1HD LYS 37 -2.957 8.259 -1.510 275 1HE LYS 37 2HE LYS 37 -1.929 8.148 -3.746 276 2HE LYS 37 1HE LYS 37 -3.399 7.394 -4.365 277 1HZ LYS 37 1HZ LYS 37 -4.626 9.414 -3.752 278 2HZ LYS 37 2HZ LYS 37 -3.341 9.812 -4.782 279 3HZ LYS 37 3HZ LYS 37 -3.210 10.082 -3.131 280 H HIS 38 H HIS 38 -3.893 3.017 0.932 281 HA HIS 38 HA HIS 38 -3.518 3.859 3.644 282 1HB HIS 38 2HB HIS 38 -5.718 3.148 2.679 283 2HB HIS 38 1HB HIS 38 -5.098 1.517 2.532 284 HD1 HIS 38 1HD HIS 38 -6.689 3.852 4.860 285 HD2 HIS 38 2HD HIS 38 -4.813 0.166 5.054 286 HE1 HIS 38 1HE HIS 38 -7.295 2.927 7.109 287 HE2 HIS 38 2HE HIS 38 -6.543 0.567 6.961 288 H VAL 39 H VAL 39 -2.830 0.871 1.849 289 HA VAL 39 HA VAL 39 -1.616 -0.389 4.083 290 HB VAL 39 HB VAL 39 -0.849 -2.110 2.491 291 1HG1 VAL 39 1HG1 VAL 39 -3.101 -2.868 1.918 292 2HG1 VAL 39 2HG1 VAL 39 -3.738 -1.266 2.248 293 3HG1 VAL 39 3HG1 VAL 39 -3.043 -2.230 3.556 294 1HG2 VAL 39 1HG2 VAL 39 -2.267 -0.384 0.507 295 2HG2 VAL 39 2HG2 VAL 39 -1.581 -1.979 0.175 296 3HG2 VAL 39 3HG2 VAL 39 -0.523 -0.612 0.560 297 H TYR 40 H TYR 40 -0.424 1.577 1.453 298 HA TYR 40 HA TYR 40 2.288 1.084 1.563 299 1HB TYR 40 2HB TYR 40 1.200 2.736 0.015 300 2HB TYR 40 1HB TYR 40 1.025 3.840 1.371 301 HD1 TYR 40 1HD TYR 40 2.928 5.085 2.210 302 HD2 TYR 40 2HD TYR 40 3.409 2.274 -0.947 303 HE1 TYR 40 1HE TYR 40 5.155 5.991 1.746 304 HE2 TYR 40 2HE TYR 40 5.641 3.180 -1.418 305 HH TYR 40 HH TYR 40 7.250 5.245 0.717 306 H ASP 41 H ASP 41 0.431 3.386 3.594 307 HA ASP 41 HA ASP 41 1.541 2.469 5.948 308 1HB ASP 41 2HB ASP 41 3.583 3.705 5.025 309 2HB ASP 41 1HB ASP 41 2.663 5.189 5.273 310 H ASN 42 H ASN 42 -0.295 2.606 6.935 311 HA ASN 42 HA ASN 42 -2.043 3.336 8.016 312 1HB ASN 42 2HB ASN 42 -0.558 5.947 8.044 313 2HB ASN 42 1HB ASN 42 -2.113 5.752 8.845 314 1HD2 ASN 42 1HD2 ASN 42 1.290 4.840 8.863 315 2HD2 ASN 42 2HD2 ASN 42 1.192 4.123 10.437 316 H TRP 43 H TRP 43 -2.539 6.548 7.073 317 HA TRP 43 HA TRP 43 -4.448 5.587 5.081 318 1HB TRP 43 2HB TRP 43 -5.954 7.430 5.649 319 2HB TRP 43 1HB TRP 43 -5.574 6.548 7.117 320 HD1 TRP 43 HD TRP 43 -5.425 9.980 5.568 321 HE1 TRP 43 1HE TRP 43 -4.465 11.682 7.250 322 HE3 TRP 43 3HE TRP 43 -3.780 6.731 9.150 323 HZ2 TRP 43 2HZ TRP 43 -3.173 11.640 9.745 324 HZ3 TRP 43 3HZ TRP 43 -2.687 7.648 11.154 325 HH2 TRP 43 HH TRP 43 -2.394 10.047 11.442 326 HA PRO 44 HA PRO 44 -2.358 8.214 1.994 327 1HB PRO 44 2HB PRO 44 -4.949 9.317 1.270 328 2HB PRO 44 1HB PRO 44 -3.911 8.272 0.306 329 1HG PRO 44 2HG PRO 44 -6.264 7.581 1.890 330 2HG PRO 44 1HG PRO 44 -5.432 6.608 0.679 331 1HD PRO 44 2HD PRO 44 -5.391 5.943 3.279 332 2HD PRO 44 1HD PRO 44 -4.063 5.642 2.191 333 H MET 45 H MET 45 -1.387 9.862 2.954 334 HA MET 45 HA MET 45 -2.281 11.347 5.078 335 1HB MET 45 2HB MET 45 0.077 11.151 4.472 336 2HB MET 45 1HB MET 45 -0.200 12.160 3.062 337 1HG MET 45 2HG MET 45 -0.761 14.042 4.490 338 2HG MET 45 1HG MET 45 -0.540 13.040 5.920 339 1HE MET 45 1HE MET 45 2.472 15.520 6.051 340 2HE MET 45 2HE MET 45 1.099 14.842 6.925 341 3HE MET 45 3HE MET 45 0.826 15.830 5.492 342 H ASP 46 H ASP 46 -3.211 13.241 5.455 343 HA ASP 46 HA ASP 46 -5.158 14.254 3.802 344 1HB ASP 46 2HB ASP 46 -3.716 15.622 6.067 345 2HB ASP 46 1HB ASP 46 -5.222 16.181 5.354 346 H TRP 47 H TRP 47 -2.044 15.855 4.568 347 HA TRP 47 HA TRP 47 -2.398 17.582 2.294 348 1HB TRP 47 2HB TRP 47 0.075 17.171 4.004 349 2HB TRP 47 1HB TRP 47 -0.138 18.434 2.812 350 HD1 TRP 47 HD TRP 47 -2.961 19.562 3.640 351 HE1 TRP 47 1HE TRP 47 -3.233 20.809 5.878 352 HE3 TRP 47 3HE TRP 47 1.131 17.737 6.105 353 HZ2 TRP 47 2HZ TRP 47 -1.883 21.004 8.343 354 HZ3 TRP 47 3HZ TRP 47 1.569 18.506 8.388 355 HH2 TRP 47 HH TRP 47 0.100 20.103 9.486 356 H GLU 48 H GLU 48 -2.390 16.496 0.447 357 HA GLU 48 HA GLU 48 -0.111 14.733 -0.099 358 1HB GLU 48 2HB GLU 48 -2.147 13.416 0.055 359 2HB GLU 48 1HB GLU 48 -2.959 14.490 -1.072 360 1HG GLU 48 2HG GLU 48 -1.415 13.789 -2.841 361 2HG GLU 48 1HG GLU 48 -0.623 12.701 -1.707 362 H GLU 49 H GLU 49 1.212 15.974 -1.237 363 HA GLU 49 HA GLU 49 0.475 16.667 -3.879 364 1HB GLU 49 2HB GLU 49 -0.348 18.670 -2.576 365 2HB GLU 49 1HB GLU 49 1.278 18.901 -1.976 366 1HG GLU 49 2HG GLU 49 0.513 19.085 -4.893 367 2HG GLU 49 1HG GLU 49 0.571 20.461 -3.803 368 H GLU 50 H GLU 50 2.065 15.490 -4.643 369 HA GLU 50 HA GLU 50 4.797 16.367 -4.072 370 1HB GLU 50 2HB GLU 50 4.086 14.114 -2.951 371 2HB GLU 50 1HB GLU 50 3.988 13.479 -4.577 372 1HG GLU 50 2HG GLU 50 6.489 14.567 -3.271 373 2HG GLU 50 1HG GLU 50 6.062 12.872 -3.393 374 H GLN 51 H GLN 51 5.168 17.405 -5.951 375 HA GLN 51 HA GLN 51 5.192 18.001 -8.140 376 1HB GLN 51 2HB GLN 51 5.094 14.997 -8.490 377 2HB GLN 51 1HB GLN 51 5.377 16.122 -9.815 378 1HG GLN 51 2HG GLN 51 7.400 16.897 -8.762 379 2HG GLN 51 1HG GLN 51 7.087 15.878 -7.363 380 1HE2 GLN 51 1HE2 GLN 51 7.405 13.718 -7.501 381 2HE2 GLN 51 2HE2 GLN 51 8.285 12.964 -8.786 382 H VAL 52 H VAL 52 2.761 18.135 -6.821 383 HA VAL 52 HA VAL 52 0.644 18.654 -7.195 384 HB VAL 52 HB VAL 52 1.041 17.789 -10.091 385 1HG1 VAL 52 1HG1 VAL 52 -1.261 19.308 -8.863 386 2HG1 VAL 52 2HG1 VAL 52 -1.320 17.659 -9.484 387 3HG1 VAL 52 3HG1 VAL 52 -1.033 19.005 -10.585 388 1HG2 VAL 52 1HG2 VAL 52 0.986 20.544 -8.851 389 2HG2 VAL 52 2HG2 VAL 52 1.102 20.201 -10.576 390 3HG2 VAL 52 3HG2 VAL 52 2.409 19.719 -9.493 391 H SER 53 H SER 53 1.672 15.578 -8.451 392 HA SER 53 HA SER 53 0.974 13.461 -8.134 393 1HB SER 53 2HB SER 53 -0.790 14.602 -5.943 394 2HB SER 53 1HB SER 53 -0.357 12.906 -6.140 395 HG SER 53 HG SER 53 1.932 13.960 -6.073 396 H SER 54 H SER 54 -0.032 12.977 -10.040 397 HA SER 54 HA SER 54 -2.667 13.951 -10.616 398 1HB SER 54 2HB SER 54 -2.404 12.618 -12.699 399 2HB SER 54 1HB SER 54 -1.012 13.661 -12.407 400 HG SER 54 HG SER 54 0.210 11.984 -12.121 401 HA PRO 55 HA PRO 55 -4.891 10.335 -9.084 402 1HB PRO 55 2HB PRO 55 -6.862 10.103 -10.897 403 2HB PRO 55 1HB PRO 55 -6.904 11.355 -9.648 404 1HG PRO 55 2HG PRO 55 -6.096 11.577 -12.531 405 2HG PRO 55 1HG PRO 55 -7.051 12.713 -11.559 406 1HD PRO 55 2HD PRO 55 -4.426 13.112 -12.089 407 2HD PRO 55 1HD PRO 55 -5.171 13.618 -10.560 408 H ASN 56 H ASN 56 -3.568 10.678 -12.127 409 HA ASN 56 HA ASN 56 -4.028 8.177 -13.339 410 1HB ASN 56 2HB ASN 56 -1.893 10.260 -13.840 411 2HB ASN 56 1HB ASN 56 -2.177 8.871 -14.878 412 1HD2 ASN 56 1HD2 ASN 56 -2.679 10.226 -16.652 413 2HD2 ASN 56 2HD2 ASN 56 -4.166 11.095 -16.721 414 H ILE 57 H ILE 57 -1.998 9.092 -10.751 415 HA ILE 57 HA ILE 57 -0.003 7.109 -11.219 416 HB ILE 57 HB ILE 57 0.922 7.683 -9.064 417 1HG1 ILE 57 2HG1 ILE 57 -0.230 9.677 -7.767 418 2HG1 ILE 57 1HG1 ILE 57 -1.687 9.095 -8.554 419 1HG2 ILE 57 1HG2 ILE 57 1.339 10.080 -9.358 420 2HG2 ILE 57 2HG2 ILE 57 0.022 10.141 -10.531 421 3HG2 ILE 57 3HG2 ILE 57 1.453 9.169 -10.862 422 1HD1 ILE 57 1HD1 ILE 57 0.080 7.493 -6.693 423 2HD1 ILE 57 2HD1 ILE 57 -1.378 6.904 -7.482 424 3HD1 ILE 57 3HD1 ILE 57 -1.484 8.201 -6.292 425 H LEU 58 H LEU 58 -3.146 7.116 -9.922 426 HA LEU 58 HA LEU 58 -2.774 4.811 -8.256 427 1HB LEU 58 2HB LEU 58 -5.291 6.179 -9.226 428 2HB LEU 58 1HB LEU 58 -5.319 4.758 -8.220 429 HG LEU 58 HG LEU 58 -4.109 6.158 -6.460 430 1HD1 LEU 58 1HD1 LEU 58 -4.971 8.413 -8.239 431 2HD1 LEU 58 2HD1 LEU 58 -3.309 7.931 -7.894 432 3HD1 LEU 58 3HD1 LEU 58 -4.330 8.564 -6.601 433 1HD2 LEU 58 1HD2 LEU 58 -6.165 7.236 -5.711 434 2HD2 LEU 58 2HD2 LEU 58 -6.459 5.598 -6.290 435 3HD2 LEU 58 3HD2 LEU 58 -6.878 6.983 -7.303 436 H ARG 59 H ARG 59 -2.218 2.989 -9.257 437 HA ARG 59 HA ARG 59 -4.034 1.993 -11.293 438 1HB ARG 59 2HB ARG 59 -1.016 1.958 -11.540 439 2HB ARG 59 1HB ARG 59 -2.118 1.076 -12.588 440 1HG ARG 59 2HG ARG 59 -3.045 3.103 -13.403 441 2HG ARG 59 1HG ARG 59 -2.078 4.071 -12.283 442 1HD ARG 59 2HD ARG 59 -0.051 3.185 -13.419 443 2HD ARG 59 1HD ARG 59 -1.102 2.371 -14.579 444 HE ARG 59 HE ARG 59 -1.769 5.083 -14.368 445 1HH1 ARG 59 1HH1 ARG 59 0.732 2.997 -15.789 446 2HH1 ARG 59 2HH1 ARG 59 1.107 4.081 -17.038 447 1HH2 ARG 59 1HH2 ARG 59 -1.232 6.551 -16.090 448 2HH2 ARG 59 2HH2 ARG 59 -0.019 6.152 -17.216 449 H LEU 60 H LEU 60 -4.292 -0.221 -11.220 450 HA LEU 60 HA LEU 60 -2.956 -1.490 -8.965 451 1HB LEU 60 2HB LEU 60 -5.095 -2.572 -8.361 452 2HB LEU 60 1HB LEU 60 -5.121 -0.837 -8.180 453 HG LEU 60 HG LEU 60 -6.243 -0.867 -10.523 454 1HD1 LEU 60 1HD1 LEU 60 -7.658 -2.789 -10.944 455 2HD1 LEU 60 2HD1 LEU 60 -6.850 -3.667 -9.643 456 3HD1 LEU 60 3HD1 LEU 60 -5.942 -3.175 -11.073 457 1HD2 LEU 60 1HD2 LEU 60 -7.275 -0.185 -8.369 458 2HD2 LEU 60 2HD2 LEU 60 -7.908 -1.862 -8.239 459 3HD2 LEU 60 3HD2 LEU 60 -8.357 -0.838 -9.574 460 H ILE 61 H ILE 61 -2.339 -3.542 -9.201 461 HA ILE 61 HA ILE 61 -2.795 -4.781 -11.804 462 HB ILE 61 HB ILE 61 -0.616 -5.161 -9.762 463 1HG1 ILE 61 2HG1 ILE 61 -0.464 -4.028 -12.533 464 2HG1 ILE 61 1HG1 ILE 61 -0.555 -3.048 -11.081 465 1HG2 ILE 61 1HG2 ILE 61 -1.111 -7.261 -10.961 466 2HG2 ILE 61 2HG2 ILE 61 0.449 -6.623 -11.481 467 3HG2 ILE 61 3HG2 ILE 61 -0.972 -6.423 -12.508 468 1HD1 ILE 61 1HD1 ILE 61 1.649 -4.979 -11.840 469 2HD1 ILE 61 2HD1 ILE 61 1.591 -4.050 -10.342 470 3HD1 ILE 61 3HD1 ILE 61 1.738 -3.218 -11.889 471 H TYR 62 H TYR 62 -4.121 -6.391 -11.763 472 HA TYR 62 HA TYR 62 -4.653 -7.666 -9.202 473 1HB TYR 62 2HB TYR 62 -6.616 -6.693 -10.351 474 2HB TYR 62 1HB TYR 62 -6.265 -7.675 -11.758 475 HD1 TYR 62 1HD TYR 62 -7.701 -9.426 -12.059 476 HD2 TYR 62 2HD TYR 62 -6.731 -8.260 -8.102 477 HE1 TYR 62 1HE TYR 62 -9.198 -11.171 -11.192 478 HE2 TYR 62 2HE TYR 62 -8.193 -10.002 -7.216 479 HH TYR 62 HH TYR 62 -10.252 -11.201 -8.084 480 H GLN 63 H GLN 63 -2.721 -8.668 -9.333 481 HA GLN 63 HA GLN 63 -1.091 -9.898 -10.001 482 1HB GLN 63 2HB GLN 63 -2.754 -11.088 -8.462 483 2HB GLN 63 1HB GLN 63 -3.132 -12.065 -9.867 484 1HG GLN 63 2HG GLN 63 -0.373 -11.692 -8.997 485 2HG GLN 63 1HG GLN 63 -1.426 -12.809 -8.146 486 1HE2 GLN 63 1HE2 GLN 63 -2.777 -13.600 -10.649 487 2HE2 GLN 63 2HE2 GLN 63 -1.679 -14.582 -11.522 488 H GLY 64 H GLY 64 -0.464 -9.265 -11.979 489 1HA GLY 64 2HA GLY 64 0.266 -10.475 -13.994 490 2HA GLY 64 1HA GLY 64 -1.411 -10.935 -14.212 491 H ARG 65 H ARG 65 -2.846 -8.704 -14.000 492 HA ARG 65 HA ARG 65 -1.622 -6.819 -15.897 493 1HB ARG 65 2HB ARG 65 -3.769 -6.724 -17.165 494 2HB ARG 65 1HB ARG 65 -2.950 -8.272 -17.262 495 1HG ARG 65 2HG ARG 65 -4.512 -9.174 -15.575 496 2HG ARG 65 1HG ARG 65 -5.330 -7.616 -15.534 497 1HD ARG 65 2HD ARG 65 -5.970 -7.843 -17.861 498 2HD ARG 65 1HD ARG 65 -5.046 -9.335 -18.007 499 HE ARG 65 HE ARG 65 -6.893 -9.630 -15.929 500 1HH1 ARG 65 1HH1 ARG 65 -6.976 -9.320 -19.460 501 2HH1 ARG 65 2HH1 ARG 65 -8.380 -10.279 -19.622 502 1HH2 ARG 65 1HH2 ARG 65 -8.762 -10.925 -16.194 503 2HH2 ARG 65 2HH2 ARG 65 -9.408 -11.217 -17.754 504 H PHE 66 H PHE 66 -2.719 -4.739 -16.104 505 HA PHE 66 HA PHE 66 -3.561 -3.710 -13.499 506 1HB PHE 66 2HB PHE 66 -3.039 -2.313 -16.141 507 2HB PHE 66 1HB PHE 66 -3.364 -1.498 -14.625 508 HD1 PHE 66 1HD PHE 66 -0.921 -3.758 -16.307 509 HD2 PHE 66 2HD PHE 66 -1.581 -0.830 -13.289 510 HE1 PHE 66 1HE PHE 66 1.504 -3.584 -15.946 511 HE2 PHE 66 2HE PHE 66 0.842 -0.663 -12.927 512 HZ PHE 66 HZ PHE 66 2.385 -2.035 -14.254 513 H LEU 67 H LEU 67 -5.696 -3.773 -13.130 514 HA LEU 67 HA LEU 67 -7.512 -4.129 -15.384 515 1HB LEU 67 2HB LEU 67 -8.212 -3.937 -12.475 516 2HB LEU 67 1HB LEU 67 -9.341 -4.284 -13.758 517 HG LEU 67 HG LEU 67 -7.046 -6.010 -12.876 518 1HD1 LEU 67 1HD1 LEU 67 -8.845 -7.516 -12.146 519 2HD1 LEU 67 2HD1 LEU 67 -10.032 -6.319 -12.666 520 3HD1 LEU 67 3HD1 LEU 67 -8.937 -5.947 -11.358 521 1HD2 LEU 67 1HD2 LEU 67 -7.932 -7.664 -14.454 522 2HD2 LEU 67 2HD2 LEU 67 -7.376 -6.220 -15.292 523 3HD2 LEU 67 3HD2 LEU 67 -9.106 -6.483 -15.035 524 H HIS 68 H HIS 68 -7.128 -1.579 -12.925 525 HA HIS 68 HA HIS 68 -8.140 0.385 -14.726 526 1HB HIS 68 2HB HIS 68 -10.221 -0.911 -13.765 527 2HB HIS 68 1HB HIS 68 -9.808 -0.108 -12.256 528 HD1 HIS 68 1HD HIS 68 -11.625 1.735 -11.982 529 HD2 HIS 68 2HD HIS 68 -10.146 1.384 -15.851 530 HE1 HIS 68 1HE HIS 68 -12.707 3.536 -13.255 531 HE2 HIS 68 2HE HIS 68 -12.178 2.935 -15.632 532 H GLY 69 H GLY 69 -8.328 2.549 -13.269 533 1HA GLY 69 2HA GLY 69 -5.950 2.548 -11.688 534 2HA GLY 69 1HA GLY 69 -6.923 3.926 -12.155 535 H ASN 70 H ASN 70 -9.030 1.709 -10.820 536 HA ASN 70 HA ASN 70 -8.698 2.118 -8.060 537 1HB ASN 70 2HB ASN 70 -10.437 3.879 -7.652 538 2HB ASN 70 1HB ASN 70 -8.983 4.483 -8.429 539 1HD2 ASN 70 1HD2 ASN 70 -10.077 6.269 -9.187 540 2HD2 ASN 70 2HD2 ASN 70 -11.195 6.218 -10.488 541 H VAL 71 H VAL 71 -9.731 0.140 -9.984 542 HA VAL 71 HA VAL 71 -12.556 0.007 -9.556 543 HB VAL 71 HB VAL 71 -11.505 -0.966 -11.586 544 1HG1 VAL 71 1HG1 VAL 71 -10.423 -3.148 -11.486 545 2HG1 VAL 71 2HG1 VAL 71 -10.323 -2.979 -9.722 546 3HG1 VAL 71 3HG1 VAL 71 -9.491 -1.829 -10.793 547 1HG2 VAL 71 1HG2 VAL 71 -12.721 -3.066 -11.667 548 2HG2 VAL 71 2HG2 VAL 71 -13.679 -1.759 -10.960 549 3HG2 VAL 71 3HG2 VAL 71 -12.932 -2.988 -9.920 550 H THR 72 H THR 72 -13.722 -1.313 -8.239 551 HA THR 72 HA THR 72 -12.529 -1.619 -5.671 552 HB THR 72 HB THR 72 -14.892 -2.290 -5.051 553 HG1 THR 72 1HG THR 72 -16.426 -2.302 -6.619 554 1HG2 THR 72 1HG2 THR 72 -14.545 0.313 -6.562 555 2HG2 THR 72 2HG2 THR 72 -14.097 0.040 -4.880 556 3HG2 THR 72 3HG2 THR 72 -15.792 -0.017 -5.359 557 H LEU 73 H LEU 73 -12.740 -3.583 -4.363 558 HA LEU 73 HA LEU 73 -11.662 -5.821 -5.687 559 1HB LEU 73 2HB LEU 73 -12.858 -5.660 -2.934 560 2HB LEU 73 1HB LEU 73 -11.824 -6.938 -3.520 561 HG LEU 73 HG LEU 73 -10.446 -5.703 -2.204 562 1HD1 LEU 73 1HD1 LEU 73 -9.332 -6.107 -4.229 563 2HD1 LEU 73 2HD1 LEU 73 -8.841 -4.523 -3.616 564 3HD1 LEU 73 3HD1 LEU 73 -9.990 -4.636 -4.941 565 1HD2 LEU 73 1HD2 LEU 73 -11.908 -3.817 -1.767 566 2HD2 LEU 73 2HD2 LEU 73 -11.493 -3.121 -3.342 567 3HD2 LEU 73 3HD2 LEU 73 -10.261 -3.308 -2.102 568 H GLY 74 H GLY 74 -14.918 -4.977 -4.629 569 1HA GLY 74 2HA GLY 74 -16.133 -7.484 -5.009 570 2HA GLY 74 1HA GLY 74 -16.954 -5.929 -5.128 571 H ALA 75 H ALA 75 -15.340 -4.901 -7.235 572 HA ALA 75 HA ALA 75 -16.687 -6.018 -9.476 573 1HB ALA 75 1HB ALA 75 -16.268 -3.608 -9.286 574 2HB ALA 75 2HB ALA 75 -15.528 -4.263 -10.750 575 3HB ALA 75 3HB ALA 75 -14.537 -3.909 -9.344 576 H LEU 76 H LEU 76 -13.747 -6.716 -7.907 577 HA LEU 76 HA LEU 76 -12.322 -7.723 -10.199 578 1HB LEU 76 2HB LEU 76 -11.856 -8.120 -7.269 579 2HB LEU 76 1HB LEU 76 -10.725 -8.516 -8.548 580 HG LEU 76 HG LEU 76 -11.594 -5.765 -7.662 581 1HD1 LEU 76 1HD1 LEU 76 -10.103 -6.936 -6.197 582 2HD1 LEU 76 2HD1 LEU 76 -9.331 -5.555 -6.983 583 3HD1 LEU 76 3HD1 LEU 76 -8.985 -7.199 -7.533 584 1HD2 LEU 76 1HD2 LEU 76 -9.929 -4.965 -9.238 585 2HD2 LEU 76 2HD2 LEU 76 -11.252 -5.810 -10.059 586 3HD2 LEU 76 3HD2 LEU 76 -9.702 -6.626 -9.782 587 H LYS 77 H LYS 77 -15.050 -8.813 -9.097 588 HA LYS 77 HA LYS 77 -16.183 -10.781 -9.100 589 1HB LYS 77 2HB LYS 77 -13.627 -11.951 -10.283 590 2HB LYS 77 1HB LYS 77 -15.129 -12.828 -10.121 591 1HG LYS 77 2HG LYS 77 -14.938 -12.168 -12.403 592 2HG LYS 77 1HG LYS 77 -16.176 -11.151 -11.683 593 1HD LYS 77 2HD LYS 77 -14.511 -9.336 -11.460 594 2HD LYS 77 1HD LYS 77 -13.301 -10.373 -12.209 595 1HE LYS 77 2HE LYS 77 -15.871 -9.431 -13.502 596 2HE LYS 77 1HE LYS 77 -14.271 -8.773 -13.821 597 1HZ LYS 77 1HZ LYS 77 -13.616 -10.977 -14.672 598 2HZ LYS 77 2HZ LYS 77 -14.884 -10.312 -15.537 599 3HZ LYS 77 3HZ LYS 77 -15.188 -11.543 -14.428 600 H LEU 78 H LEU 78 -14.523 -9.915 -6.843 601 HA LEU 78 HA LEU 78 -13.582 -12.387 -5.659 602 1HB LEU 78 2HB LEU 78 -13.460 -9.564 -4.662 603 2HB LEU 78 1HB LEU 78 -12.773 -10.947 -3.838 604 HG LEU 78 HG LEU 78 -11.955 -9.928 -6.545 605 1HD1 LEU 78 1HD1 LEU 78 -10.554 -9.786 -3.879 606 2HD1 LEU 78 2HD1 LEU 78 -11.309 -8.442 -4.743 607 3HD1 LEU 78 3HD1 LEU 78 -9.905 -9.245 -5.431 608 1HD2 LEU 78 1HD2 LEU 78 -11.670 -12.323 -6.395 609 2HD2 LEU 78 2HD2 LEU 78 -10.863 -12.147 -4.840 610 3HD2 LEU 78 3HD2 LEU 78 -10.098 -11.528 -6.304 611 HA PRO 79 HA PRO 79 -17.268 -12.544 -3.087 612 1HB PRO 79 2HB PRO 79 -16.533 -15.134 -2.186 613 2HB PRO 79 1HB PRO 79 -17.698 -14.753 -3.452 614 1HG PRO 79 2HG PRO 79 -15.232 -16.036 -3.811 615 2HG PRO 79 1HG PRO 79 -16.246 -15.346 -5.085 616 1HD PRO 79 2HD PRO 79 -13.816 -14.231 -3.783 617 2HD PRO 79 1HD PRO 79 -14.441 -14.042 -5.443 618 H PHE 80 H PHE 80 -17.541 -13.125 -0.705 619 HA PHE 80 HA PHE 80 -15.457 -11.786 0.766 620 1HB PHE 80 2HB PHE 80 -18.049 -13.021 1.847 621 2HB PHE 80 1HB PHE 80 -16.942 -11.951 2.669 622 HD1 PHE 80 1HD PHE 80 -19.408 -12.198 -0.016 623 HD2 PHE 80 2HD PHE 80 -17.026 -9.650 2.381 624 HE1 PHE 80 1HE PHE 80 -20.726 -10.269 -0.790 625 HE2 PHE 80 2HE PHE 80 -18.322 -7.710 1.622 626 HZ PHE 80 HZ PHE 80 -20.184 -8.017 0.025 627 H GLY 81 H GLY 81 -14.334 -12.691 2.522 628 1HA GLY 81 2HA GLY 81 -13.489 -14.367 3.872 629 2HA GLY 81 1HA GLY 81 -14.581 -15.503 3.117 630 H LYS 82 H LYS 82 -12.955 -13.965 0.668 631 HA LYS 82 HA LYS 82 -11.090 -16.233 0.458 632 1HB LYS 82 2HB LYS 82 -11.967 -14.273 -1.656 633 2HB LYS 82 1HB LYS 82 -10.958 -15.676 -1.911 634 1HG LYS 82 2HG LYS 82 -13.839 -15.762 -1.016 635 2HG LYS 82 1HG LYS 82 -13.270 -16.030 -2.663 636 1HD LYS 82 2HD LYS 82 -11.992 -17.984 -1.888 637 2HD LYS 82 1HD LYS 82 -12.588 -17.712 -0.245 638 1HE LYS 82 2HE LYS 82 -14.883 -18.029 -1.009 639 2HE LYS 82 1HE LYS 82 -14.308 -18.254 -2.657 640 1HZ LYS 82 1HZ LYS 82 -13.167 -20.267 -1.943 641 2HZ LYS 82 2HZ LYS 82 -14.800 -20.360 -1.550 642 3HZ LYS 82 3HZ LYS 82 -13.663 -20.023 -0.360 643 H THR 83 H THR 83 -8.920 -15.906 0.432 644 HA THR 83 HA THR 83 -7.903 -13.219 0.885 645 HB THR 83 HB THR 83 -6.438 -15.867 0.733 646 HG1 THR 83 1HG THR 83 -7.059 -14.492 3.143 647 1HG2 THR 83 1HG2 THR 83 -4.674 -14.674 1.983 648 2HG2 THR 83 2HG2 THR 83 -5.637 -13.202 1.928 649 3HG2 THR 83 3HG2 THR 83 -4.999 -13.892 0.435 650 H THR 84 H THR 84 -7.427 -11.992 -0.699 651 HA THR 84 HA THR 84 -6.638 -13.195 -3.257 652 HB THR 84 HB THR 84 -7.984 -10.538 -2.745 653 HG1 THR 84 1HG THR 84 -9.519 -12.007 -2.392 654 1HG2 THR 84 1HG2 THR 84 -6.621 -10.585 -4.806 655 2HG2 THR 84 2HG2 THR 84 -8.343 -10.533 -5.177 656 3HG2 THR 84 3HG2 THR 84 -7.458 -12.049 -5.324 657 H VAL 85 H VAL 85 -4.837 -12.367 -4.291 658 HA VAL 85 HA VAL 85 -3.263 -10.437 -2.750 659 HB VAL 85 HB VAL 85 -2.234 -12.669 -2.891 660 1HG1 VAL 85 1HG1 VAL 85 -1.436 -13.567 -5.037 661 2HG1 VAL 85 2HG1 VAL 85 -2.308 -12.271 -5.871 662 3HG1 VAL 85 3HG1 VAL 85 -3.195 -13.469 -4.944 663 1HG2 VAL 85 1HG2 VAL 85 -0.041 -12.008 -3.779 664 2HG2 VAL 85 2HG2 VAL 85 -0.772 -10.742 -2.783 665 3HG2 VAL 85 3HG2 VAL 85 -0.793 -10.605 -4.541 666 H MET 86 H MET 86 -2.542 -8.581 -3.747 667 HA MET 86 HA MET 86 -2.881 -8.346 -6.632 668 1HB MET 86 2HB MET 86 -3.959 -6.342 -4.641 669 2HB MET 86 1HB MET 86 -3.849 -6.082 -6.372 670 1HG MET 86 2HG MET 86 -5.370 -7.983 -6.713 671 2HG MET 86 1HG MET 86 -5.521 -8.146 -4.971 672 1HE MET 86 1HE MET 86 -6.310 -5.953 -8.101 673 2HE MET 86 2HE MET 86 -5.369 -4.782 -7.160 674 3HE MET 86 3HE MET 86 -7.109 -4.563 -7.388 675 H HIS 87 H HIS 87 -1.665 -6.648 -7.541 676 HA HIS 87 HA HIS 87 0.605 -5.835 -5.846 677 1HB HIS 87 2HB HIS 87 0.564 -6.345 -8.847 678 2HB HIS 87 1HB HIS 87 1.899 -5.630 -7.930 679 HD1 HIS 87 1HD HIS 87 3.716 -7.282 -7.573 680 HD2 HIS 87 2HD HIS 87 -0.030 -9.122 -7.546 681 HE1 HIS 87 1HE HIS 87 4.142 -9.714 -7.211 682 HE2 HIS 87 2HE HIS 87 1.891 -10.806 -7.440 683 H LEU 88 H LEU 88 0.988 -3.674 -5.710 684 HA LEU 88 HA LEU 88 -0.788 -2.016 -7.341 685 1HB LEU 88 2HB LEU 88 0.029 -1.603 -4.465 686 2HB LEU 88 1HB LEU 88 -0.836 -0.425 -5.416 687 HG LEU 88 HG LEU 88 -2.377 -1.509 -3.948 688 1HD1 LEU 88 1HD1 LEU 88 -3.254 -0.949 -6.109 689 2HD1 LEU 88 2HD1 LEU 88 -4.023 -2.407 -5.479 690 3HD1 LEU 88 3HD1 LEU 88 -2.792 -2.532 -6.735 691 1HD2 LEU 88 1HD2 LEU 88 -1.214 -3.567 -3.460 692 2HD2 LEU 88 2HD2 LEU 88 -1.415 -4.101 -5.122 693 3HD2 LEU 88 3HD2 LEU 88 -2.823 -3.964 -4.083 694 H VAL 89 H VAL 89 -0.034 -0.107 -8.129 695 HA VAL 89 HA VAL 89 2.792 0.385 -7.677 696 HB VAL 89 HB VAL 89 2.952 1.281 -10.004 697 1HG1 VAL 89 1HG1 VAL 89 3.655 -1.001 -9.552 698 2HG1 VAL 89 2HG1 VAL 89 2.941 -0.882 -11.163 699 3HG1 VAL 89 3HG1 VAL 89 2.016 -1.582 -9.837 700 1HG2 VAL 89 1HG2 VAL 89 1.213 0.807 -11.627 701 2HG2 VAL 89 2HG2 VAL 89 0.560 1.782 -10.302 702 3HG2 VAL 89 3HG2 VAL 89 0.234 0.048 -10.373 703 H ALA 90 H ALA 90 3.380 2.426 -7.236 704 HA ALA 90 HA ALA 90 1.274 4.441 -7.209 705 1HB ALA 90 1HB ALA 90 1.957 5.114 -4.962 706 2HB ALA 90 2HB ALA 90 3.124 3.794 -4.911 707 3HB ALA 90 3HB ALA 90 1.397 3.443 -4.974 708 H ARG 91 H ARG 91 2.024 6.555 -7.429 709 HA ARG 91 HA ARG 91 4.857 6.987 -7.925 710 1HB ARG 91 2HB ARG 91 2.663 7.614 -9.929 711 2HB ARG 91 1HB ARG 91 4.310 8.203 -10.020 712 1HG ARG 91 2HG ARG 91 3.475 5.318 -10.143 713 2HG ARG 91 1HG ARG 91 3.922 6.325 -11.528 714 1HD ARG 91 2HD ARG 91 5.685 5.517 -9.217 715 2HD ARG 91 1HD ARG 91 5.800 4.949 -10.882 716 HE ARG 91 HE ARG 91 6.049 7.558 -11.224 717 1HH1 ARG 91 1HH1 ARG 91 7.667 5.399 -8.950 718 2HH1 ARG 91 2HH1 ARG 91 9.070 6.323 -8.821 719 1HH2 ARG 91 1HH2 ARG 91 7.943 8.854 -11.066 720 2HH2 ARG 91 2HH2 ARG 91 9.250 8.380 -10.081 721 H GLU 92 H GLU 92 5.423 9.176 -7.669 722 HA GLU 92 HA GLU 92 5.351 11.124 -6.503 723 1HB GLU 92 2HB GLU 92 2.690 11.230 -7.942 724 2HB GLU 92 1HB GLU 92 3.268 12.562 -6.959 725 1HG GLU 92 2HG GLU 92 3.736 13.014 -9.288 726 2HG GLU 92 1HG GLU 92 5.239 12.764 -8.417 727 H THR 93 H THR 93 4.559 8.783 -5.174 728 HA THR 93 HA THR 93 2.389 9.502 -3.496 729 HB THR 93 HB THR 93 4.124 7.029 -3.556 730 HG1 THR 93 1HG THR 93 2.204 7.998 -5.137 731 1HG2 THR 93 1HG2 THR 93 2.951 7.349 -1.381 732 2HG2 THR 93 2HG2 THR 93 2.295 5.983 -2.281 733 3HG2 THR 93 3HG2 THR 93 1.422 7.514 -2.247 734 H LEU 94 H LEU 94 2.660 10.001 -1.369 735 HA LEU 94 HA LEU 94 5.092 11.120 -0.494 736 1HB LEU 94 2HB LEU 94 2.539 10.540 0.985 737 2HB LEU 94 1HB LEU 94 3.913 11.320 1.731 738 HG LEU 94 HG LEU 94 3.664 13.217 0.140 739 1HD1 LEU 94 1HD1 LEU 94 1.137 11.824 -0.716 740 2HD1 LEU 94 2HD1 LEU 94 2.569 12.062 -1.718 741 3HD1 LEU 94 3HD1 LEU 94 1.632 13.456 -1.173 742 1HD2 LEU 94 1HD2 LEU 94 1.644 14.105 1.169 743 2HD2 LEU 94 2HD2 LEU 94 2.682 13.283 2.334 744 3HD2 LEU 94 3HD2 LEU 94 1.237 12.486 1.717 745 HA PRO 95 HA PRO 95 7.159 7.486 1.007 746 1HB PRO 95 2HB PRO 95 8.363 9.448 2.894 747 2HB PRO 95 1HB PRO 95 9.159 8.269 1.845 748 1HG PRO 95 2HG PRO 95 9.175 10.813 1.174 749 2HG PRO 95 1HG PRO 95 8.862 9.574 -0.060 750 1HD PRO 95 2HD PRO 95 6.922 11.383 1.334 751 2HD PRO 95 1HD PRO 95 7.014 10.895 -0.376 752 H GLU 96 H GLU 96 5.784 9.778 3.397 753 HA GLU 96 HA GLU 96 4.683 7.567 4.863 754 1HB GLU 96 2HB GLU 96 5.772 8.147 7.007 755 2HB GLU 96 1HB GLU 96 6.915 7.557 5.810 756 1HG GLU 96 2HG GLU 96 7.645 9.832 5.361 757 2HG GLU 96 1HG GLU 96 6.445 10.451 6.487 758 HA PRO 97 HA PRO 97 1.728 10.824 5.885 759 1HB PRO 97 2HB PRO 97 0.954 9.542 8.286 760 2HB PRO 97 1HB PRO 97 0.087 9.453 6.739 761 1HG PRO 97 2HG PRO 97 1.857 7.514 8.061 762 2HG PRO 97 1HG PRO 97 0.637 7.252 6.812 763 1HD PRO 97 2HD PRO 97 3.334 7.135 6.381 764 2HD PRO 97 1HD PRO 97 2.144 7.505 5.123 765 H ASN 98 H ASN 98 3.141 9.274 8.804 766 HA ASN 98 HA ASN 98 4.844 11.424 9.330 767 1HB ASN 98 2HB ASN 98 2.754 12.607 9.912 768 2HB ASN 98 1HB ASN 98 2.413 11.384 11.129 769 1HD2 ASN 98 1HD2 ASN 98 2.438 12.876 12.778 770 2HD2 ASN 98 2HD2 ASN 98 3.884 13.606 13.365 771 H SER 99 H SER 99 6.084 9.495 9.368 772 HA SER 99 HA SER 99 7.372 7.965 10.352 773 1HB SER 99 2HB SER 99 7.042 9.933 12.593 774 2HB SER 99 1HB SER 99 8.349 8.747 12.464 775 HG SER 99 HG SER 99 8.037 10.112 10.151 776 H GLN 100 H GLN 100 4.475 7.213 10.774 777 HA GLN 100 HA GLN 100 4.500 5.997 13.403 778 1HB GLN 100 2HB GLN 100 2.588 5.557 11.107 779 2HB GLN 100 1HB GLN 100 2.401 4.904 12.727 780 1HG GLN 100 2HG GLN 100 2.366 7.793 11.930 781 2HG GLN 100 1HG GLN 100 0.998 6.778 12.416 782 1HE2 GLN 100 1HE2 GLN 100 2.015 9.255 13.588 783 2HE2 GLN 100 2HE2 GLN 100 2.361 8.910 15.244 784 H GLY 101 H GLY 101 4.584 4.818 10.065 785 1HA GLY 101 2HA GLY 101 5.709 3.017 9.180 786 2HA GLY 101 1HA GLY 101 6.364 2.673 10.772 787 H GLN 102 H GLN 102 3.400 2.796 11.674 788 HA GLN 102 HA GLN 102 2.589 0.228 10.636 789 1HB GLN 102 2HB GLN 102 2.107 -0.584 12.979 790 2HB GLN 102 1HB GLN 102 3.795 -0.496 12.539 791 1HG GLN 102 2HG GLN 102 3.766 0.267 14.729 792 2HG GLN 102 1HG GLN 102 3.819 1.744 13.794 793 1HE2 GLN 102 1HE2 GLN 102 3.023 1.286 16.503 794 2HE2 GLN 102 2HE2 GLN 102 1.401 1.854 16.681 795 H ARG 103 H ARG 103 0.446 -0.313 11.013 796 HA ARG 103 HA ARG 103 -1.259 2.022 11.485 797 1HB ARG 103 2HB ARG 103 -1.498 1.040 9.256 798 2HB ARG 103 1HB ARG 103 -1.794 -0.538 9.955 799 1HG ARG 103 2HG ARG 103 -3.860 0.489 9.156 800 2HG ARG 103 1HG ARG 103 -3.897 0.253 10.902 801 1HD ARG 103 2HD ARG 103 -3.368 2.594 11.257 802 2HD ARG 103 1HD ARG 103 -3.225 2.858 9.522 803 HE ARG 103 HE ARG 103 -5.730 1.799 9.998 804 1HH1 ARG 103 1HH1 ARG 103 -3.971 4.774 10.894 805 2HH1 ARG 103 2HH1 ARG 103 -5.376 5.727 10.933 806 1HH2 ARG 103 1HH2 ARG 103 -7.655 3.162 10.060 807 2HH2 ARG 103 2HH2 ARG 103 -7.481 4.811 10.449 808 H ASN 104 H ASN 104 -0.755 -1.397 12.173 809 HA ASN 104 HA ASN 104 -1.799 -1.177 14.809 810 1HB ASN 104 2HB ASN 104 -3.932 -1.418 13.533 811 2HB ASN 104 1HB ASN 104 -3.311 -2.888 12.792 812 1HD2 ASN 104 1HD2 ASN 104 -4.998 -4.152 13.622 813 2HD2 ASN 104 2HD2 ASN 104 -5.052 -4.535 15.306 814 H ARG 105 H ARG 105 -1.124 -2.963 16.015 815 HA ARG 105 HA ARG 105 1.159 -4.369 14.983 816 1HB ARG 105 2HB ARG 105 0.840 -3.611 17.333 817 2HB ARG 105 1HB ARG 105 -0.375 -4.869 17.502 818 1HG ARG 105 2HG ARG 105 1.294 -6.575 17.137 819 2HG ARG 105 1HG ARG 105 2.531 -5.333 16.880 820 1HD ARG 105 2HD ARG 105 2.029 -4.430 19.063 821 2HD ARG 105 1HD ARG 105 0.911 -5.759 19.364 822 HE ARG 105 HE ARG 105 3.544 -6.625 18.666 823 1HH1 ARG 105 1HH1 ARG 105 1.426 -5.712 21.353 824 2HH1 ARG 105 2HH1 ARG 105 2.502 -6.216 22.573 825 1HH2 ARG 105 1HH2 ARG 105 5.013 -7.374 20.359 826 2HH2 ARG 105 2HH2 ARG 105 4.571 -7.147 21.994 827 H GLU 106 H GLU 106 -2.057 -5.402 16.094 828 HA GLU 106 HA GLU 106 -2.397 -7.348 14.069 829 1HB GLU 106 2HB GLU 106 -0.826 -8.394 15.971 830 2HB GLU 106 1HB GLU 106 -2.315 -8.455 16.891 831 1HG GLU 106 2HG GLU 106 -1.725 -9.901 14.294 832 2HG GLU 106 1HG GLU 106 -1.852 -10.619 15.891 833 H LYS 107 H LYS 107 -4.634 -8.148 14.343 834 HA LYS 107 HA LYS 107 -6.433 -6.190 15.049 835 1HB LYS 107 2HB LYS 107 -6.920 -8.046 13.496 836 2HB LYS 107 1HB LYS 107 -6.910 -9.166 14.837 837 1HG LYS 107 2HG LYS 107 -9.173 -8.849 14.368 838 2HG LYS 107 1HG LYS 107 -8.883 -7.812 15.755 839 1HD LYS 107 2HD LYS 107 -9.004 -6.875 12.870 840 2HD LYS 107 1HD LYS 107 -10.334 -6.800 14.009 841 1HE LYS 107 2HE LYS 107 -8.976 -5.224 15.410 842 2HE LYS 107 1HE LYS 107 -7.713 -5.305 14.185 843 1HZ LYS 107 1HZ LYS 107 -9.181 -4.381 12.576 844 2HZ LYS 107 2HZ LYS 107 -9.072 -3.365 13.910 845 3HZ LYS 107 3HZ LYS 107 -10.447 -4.312 13.691 846 H THR 108 H THR 108 -5.427 -9.036 16.895 847 HA THR 108 HA THR 108 -5.951 -7.632 19.326 848 HB THR 108 HB THR 108 -8.236 -8.430 18.859 849 HG1 THR 108 1HG THR 108 -7.388 -8.346 21.020 850 1HG2 THR 108 1HG2 THR 108 -8.746 -10.852 18.937 851 2HG2 THR 108 2HG2 THR 108 -7.012 -11.194 18.970 852 3HG2 THR 108 3HG2 THR 108 -7.734 -10.415 17.564 853 H GLY 109 H GLY 109 -4.613 -10.336 17.621 854 1HA GLY 109 2HA GLY 109 -3.693 -11.642 20.003 855 2HA GLY 109 1HA GLY 109 -3.377 -12.100 18.337 856 H GLU 110 H GLU 110 -2.604 -9.674 20.733 857 HA GLU 110 HA GLU 110 -0.298 -8.588 19.646 858 1HB GLU 110 2HB GLU 110 -0.956 -9.186 22.527 859 2HB GLU 110 1HB GLU 110 0.388 -8.162 22.025 860 1HG GLU 110 2HG GLU 110 -2.534 -7.653 21.488 861 2HG GLU 110 1HG GLU 110 -1.576 -6.889 22.754 862 H SER 111 H SER 111 1.717 -9.301 19.330 863 HA SER 111 HA SER 111 2.423 -12.005 19.491 864 1HB SER 111 2HB SER 111 3.473 -10.431 17.907 865 2HB SER 111 1HB SER 111 4.186 -9.561 19.261 866 HG SER 111 HG SER 111 4.732 -12.247 18.505 867 H ASN 112 H ASN 112 3.217 -9.271 21.580 868 HA ASN 112 HA ASN 112 4.117 -11.195 23.589 869 1HB ASN 112 2HB ASN 112 4.732 -8.231 23.398 870 2HB ASN 112 1HB ASN 112 5.317 -9.312 24.654 871 1HD2 ASN 112 1HD2 ASN 112 6.898 -10.839 24.121 872 2HD2 ASN 112 2HD2 ASN 112 7.871 -10.679 22.702 873 H CYS 113 H CYS 113 2.604 -11.572 24.998 874 HA CYS 113 HA CYS 113 0.900 -9.441 25.939 875 1HB CYS 113 2HB CYS 113 -0.263 -10.300 23.961 876 2HB CYS 113 1HB CYS 113 -0.107 -11.939 24.558 877 HG CYS 113 HG CYS 113 -1.995 -11.845 26.409 878 H CYS 114 H CYS 114 -0.080 -10.062 27.915 879 HA CYS 114 HA CYS 114 1.338 -12.089 29.339 880 1HB CYS 114 2HB CYS 114 -1.058 -10.433 30.162 881 2HB CYS 114 1HB CYS 114 -0.055 -11.396 31.240 882 HG CYS 114 HG CYS 114 2.257 -9.778 30.284 883 H VAL 115 H VAL 115 0.896 -14.044 28.517 884 HA VAL 115 HA VAL 115 -1.918 -14.885 28.426 885 HB VAL 115 HB VAL 115 -1.265 -16.582 26.739 886 1HG1 VAL 115 1HG1 VAL 115 -2.160 -14.461 25.974 887 2HG1 VAL 115 2HG1 VAL 115 -0.939 -15.055 24.845 888 3HG1 VAL 115 3HG1 VAL 115 -0.544 -13.758 25.974 889 1HG2 VAL 115 1HG2 VAL 115 1.428 -15.204 26.777 890 2HG2 VAL 115 2HG2 VAL 115 0.928 -16.442 25.622 891 3HG2 VAL 115 3HG2 VAL 115 1.096 -16.846 27.330 892 H ILE 116 H ILE 116 -2.296 -17.166 28.892 893 HA ILE 116 HA ILE 116 -0.662 -17.946 31.130 894 HB ILE 116 HB ILE 116 -3.264 -19.183 30.122 895 1HG1 ILE 116 2HG1 ILE 116 -4.197 -18.319 32.321 896 2HG1 ILE 116 1HG1 ILE 116 -2.696 -17.457 32.553 897 1HG2 ILE 116 1HG2 ILE 116 -1.894 -20.888 31.167 898 2HG2 ILE 116 2HG2 ILE 116 -3.281 -20.509 32.186 899 3HG2 ILE 116 3HG2 ILE 116 -1.685 -19.877 32.596 900 1HD1 ILE 116 1HD1 ILE 116 -4.442 -15.980 31.750 901 2HD1 ILE 116 2HD1 ILE 116 -4.680 -16.999 30.332 902 3HD1 ILE 116 3HD1 ILE 116 -3.160 -16.127 30.544 903 H LEU 117 H LEU 117 1.126 -18.727 30.469 904 HA LEU 117 HA LEU 117 1.202 -21.246 29.125 905 1HB LEU 117 2HB LEU 117 1.161 -19.659 27.226 906 2HB LEU 117 1HB LEU 117 2.514 -18.793 27.912 907 HG LEU 117 HG LEU 117 3.937 -20.804 27.567 908 1HD1 LEU 117 1HD1 LEU 117 1.525 -21.897 26.137 909 2HD1 LEU 117 2HD1 LEU 117 2.221 -22.504 27.642 910 3HD1 LEU 117 3HD1 LEU 117 3.143 -22.603 26.142 911 1HD2 LEU 117 1HD2 LEU 117 3.899 -19.013 25.914 912 2HD2 LEU 117 2HD2 LEU 117 2.533 -19.777 25.103 913 3HD2 LEU 117 3HD2 LEU 117 4.102 -20.583 25.138 Start of MODEL 3 1 H SER 2 H SER 2 -5.068 -11.066 10.816 2 HA SER 2 HA SER 2 -7.412 -11.464 12.455 3 1HB SER 2 2HB SER 2 -8.843 -10.971 10.442 4 2HB SER 2 1HB SER 2 -8.120 -9.580 11.253 5 HG SER 2 HG SER 2 -7.007 -10.868 8.969 6 H SER 3 H SER 3 -7.593 -13.552 12.632 7 HA SER 3 HA SER 3 -7.037 -15.229 10.314 8 1HB SER 3 2HB SER 3 -5.991 -15.821 12.541 9 2HB SER 3 1HB SER 3 -7.609 -16.043 13.192 10 HG SER 3 HG SER 3 -7.609 -17.955 12.381 11 H ASN 4 H ASN 4 -8.679 -16.384 9.368 12 HA ASN 4 HA ASN 4 -10.713 -16.768 8.568 13 1HB ASN 4 2HB ASN 4 -11.579 -16.402 11.435 14 2HB ASN 4 1HB ASN 4 -12.746 -16.716 10.158 15 1HD2 ASN 4 1HD2 ASN 4 -12.760 -18.721 9.162 16 2HD2 ASN 4 2HD2 ASN 4 -11.974 -20.098 9.837 17 H VAL 5 H VAL 5 -11.566 -15.582 7.154 18 HA VAL 5 HA VAL 5 -11.803 -12.744 7.616 19 HB VAL 5 HB VAL 5 -12.516 -14.300 5.142 20 1HG1 VAL 5 1HG1 VAL 5 -12.028 -12.217 3.961 21 2HG1 VAL 5 2HG1 VAL 5 -11.637 -11.453 5.496 22 3HG1 VAL 5 3HG1 VAL 5 -13.288 -11.988 5.181 23 1HG2 VAL 5 1HG2 VAL 5 -9.804 -13.190 5.843 24 2HG2 VAL 5 2HG2 VAL 5 -10.305 -13.895 4.288 25 3HG2 VAL 5 3HG2 VAL 5 -10.273 -14.896 5.738 26 HA PRO 6 HA PRO 6 -16.220 -13.286 8.409 27 1HB PRO 6 2HB PRO 6 -16.555 -10.443 7.972 28 2HB PRO 6 1HB PRO 6 -16.723 -11.339 9.475 29 1HG PRO 6 2HG PRO 6 -14.710 -9.569 8.922 30 2HG PRO 6 1HG PRO 6 -14.568 -10.885 10.109 31 1HD PRO 6 2HD PRO 6 -13.473 -10.657 7.352 32 2HD PRO 6 1HD PRO 6 -12.828 -11.510 8.769 33 H ALA 7 H ALA 7 -17.966 -13.490 7.064 34 HA ALA 7 HA ALA 7 -17.545 -12.891 4.299 35 1HB ALA 7 1HB ALA 7 -18.672 -14.963 4.928 36 2HB ALA 7 2HB ALA 7 -19.692 -13.951 3.895 37 3HB ALA 7 3HB ALA 7 -19.989 -14.022 5.638 38 H ASP 8 H ASP 8 -17.270 -10.762 4.748 39 HA ASP 8 HA ASP 8 -19.452 -9.086 3.957 40 1HB ASP 8 2HB ASP 8 -19.950 -9.209 6.372 41 2HB ASP 8 1HB ASP 8 -18.306 -8.713 6.747 42 H MET 9 H MET 9 -16.230 -9.690 5.033 43 HA MET 9 HA MET 9 -15.255 -7.253 3.710 44 1HB MET 9 2HB MET 9 -14.013 -8.846 5.968 45 2HB MET 9 1HB MET 9 -13.326 -7.408 5.233 46 1HG MET 9 2HG MET 9 -15.969 -7.481 6.629 47 2HG MET 9 1HG MET 9 -14.464 -7.050 7.446 48 1HE MET 9 1HE MET 9 -13.552 -3.684 5.734 49 2HE MET 9 2HE MET 9 -12.952 -5.299 5.353 50 3HE MET 9 3HE MET 9 -13.165 -4.821 7.035 51 H ILE 10 H ILE 10 -13.555 -7.534 2.308 52 HA ILE 10 HA ILE 10 -12.912 -10.290 1.647 53 HB ILE 10 HB ILE 10 -11.956 -9.307 -0.501 54 1HG1 ILE 10 2HG1 ILE 10 -13.189 -7.052 -1.072 55 2HG1 ILE 10 1HG1 ILE 10 -13.060 -6.808 0.651 56 1HG2 ILE 10 1HG2 ILE 10 -14.869 -8.947 -0.039 57 2HG2 ILE 10 2HG2 ILE 10 -14.007 -10.373 -0.686 58 3HG2 ILE 10 3HG2 ILE 10 -14.056 -8.863 -1.594 59 1HD1 ILE 10 1HD1 ILE 10 -10.617 -7.091 0.523 60 2HD1 ILE 10 2HD1 ILE 10 -11.229 -5.763 -0.502 61 3HD1 ILE 10 3HD1 ILE 10 -10.806 -7.304 -1.230 62 H ASN 11 H ASN 11 -10.805 -11.091 1.774 63 HA ASN 11 HA ASN 11 -9.044 -9.398 3.382 64 1HB ASN 11 2HB ASN 11 -9.556 -11.856 3.954 65 2HB ASN 11 1HB ASN 11 -8.596 -12.268 2.572 66 1HD2 ASN 11 1HD2 ASN 11 -6.324 -11.891 2.605 67 2HD2 ASN 11 2HD2 ASN 11 -5.496 -11.663 4.086 68 H LEU 12 H LEU 12 -7.770 -8.152 2.243 69 HA LEU 12 HA LEU 12 -6.911 -9.116 -0.376 70 1HB LEU 12 2HB LEU 12 -8.396 -7.300 -0.586 71 2HB LEU 12 1HB LEU 12 -7.582 -6.394 0.661 72 HG LEU 12 HG LEU 12 -5.660 -6.084 -0.826 73 1HD1 LEU 12 1HD1 LEU 12 -7.295 -7.525 -2.901 74 2HD1 LEU 12 2HD1 LEU 12 -5.744 -8.016 -2.151 75 3HD1 LEU 12 3HD1 LEU 12 -5.807 -6.598 -3.172 76 1HD2 LEU 12 1HD2 LEU 12 -7.351 -4.403 -0.728 77 2HD2 LEU 12 2HD2 LEU 12 -8.327 -5.268 -1.907 78 3HD2 LEU 12 3HD2 LEU 12 -6.787 -4.548 -2.395 79 H ARG 13 H ARG 13 -4.842 -9.300 -0.738 80 HA ARG 13 HA ARG 13 -3.003 -8.034 1.141 81 1HB ARG 13 2HB ARG 13 -2.829 -10.521 0.841 82 2HB ARG 13 1HB ARG 13 -2.424 -10.218 -0.836 83 1HG ARG 13 2HG ARG 13 -0.422 -9.071 -0.238 84 2HG ARG 13 1HG ARG 13 -0.856 -9.108 1.470 85 1HD ARG 13 2HD ARG 13 -0.815 -11.487 1.437 86 2HD ARG 13 1HD ARG 13 -0.335 -11.495 -0.267 87 HE ARG 13 HE ARG 13 1.418 -9.957 1.367 88 1HH1 ARG 13 1HH1 ARG 13 0.675 -13.303 0.489 89 2HH1 ARG 13 2HH1 ARG 13 2.248 -13.881 0.731 90 1HH2 ARG 13 1HH2 ARG 13 3.623 -10.738 1.742 91 2HH2 ARG 13 2HH2 ARG 13 3.968 -12.371 1.447 92 H LEU 14 H LEU 14 -2.094 -6.440 0.505 93 HA LEU 14 HA LEU 14 -2.129 -5.505 -2.281 94 1HB LEU 14 2HB LEU 14 -1.512 -3.993 0.306 95 2HB LEU 14 1HB LEU 14 -1.540 -3.286 -1.286 96 HG LEU 14 HG LEU 14 -3.441 -2.662 -0.024 97 1HD1 LEU 14 1HD1 LEU 14 -3.733 -2.811 -2.389 98 2HD1 LEU 14 2HD1 LEU 14 -5.223 -3.247 -1.557 99 3HD1 LEU 14 3HD1 LEU 14 -4.210 -4.507 -2.257 100 1HD2 LEU 14 1HD2 LEU 14 -3.772 -4.561 1.497 101 2HD2 LEU 14 2HD2 LEU 14 -4.100 -5.582 0.133 102 3HD2 LEU 14 3HD2 LEU 14 -5.236 -4.286 0.537 103 H ILE 15 H ILE 15 -0.253 -5.556 -3.462 104 HA ILE 15 HA ILE 15 2.253 -5.823 -1.942 105 HB ILE 15 HB ILE 15 2.041 -6.187 -4.930 106 1HG1 ILE 15 2HG1 ILE 15 0.456 -7.791 -3.851 107 2HG1 ILE 15 1HG1 ILE 15 1.795 -8.591 -4.665 108 1HG2 ILE 15 1HG2 ILE 15 4.270 -5.870 -4.049 109 2HG2 ILE 15 2HG2 ILE 15 4.113 -7.585 -4.474 110 3HG2 ILE 15 3HG2 ILE 15 3.932 -7.042 -2.799 111 1HD1 ILE 15 1HD1 ILE 15 1.210 -9.599 -2.567 112 2HD1 ILE 15 2HD1 ILE 15 1.562 -8.041 -1.754 113 3HD1 ILE 15 3HD1 ILE 15 2.847 -8.930 -2.608 114 H LEU 16 H LEU 16 3.381 -4.021 -1.780 115 HA LEU 16 HA LEU 16 2.706 -1.715 -3.387 116 1HB LEU 16 2HB LEU 16 3.106 -1.529 -0.970 117 2HB LEU 16 1HB LEU 16 4.738 -2.115 -1.191 118 HG LEU 16 HG LEU 16 5.245 -0.075 -2.513 119 1HD1 LEU 16 1HD1 LEU 16 3.716 1.821 -2.426 120 2HD1 LEU 16 2HD1 LEU 16 2.508 0.818 -1.629 121 3HD1 LEU 16 3HD1 LEU 16 3.004 0.456 -3.285 122 1HD2 LEU 16 1HD2 LEU 16 5.800 -0.204 -0.146 123 2HD2 LEU 16 2HD2 LEU 16 4.196 0.390 0.278 124 3HD2 LEU 16 3HD2 LEU 16 5.323 1.434 -0.583 125 H VAL 17 H VAL 17 4.243 -0.567 -4.678 126 HA VAL 17 HA VAL 17 5.868 -2.060 -6.395 127 HB VAL 17 HB VAL 17 6.728 0.098 -7.243 128 1HG1 VAL 17 1HG1 VAL 17 3.808 0.042 -6.658 129 2HG1 VAL 17 2HG1 VAL 17 4.613 -0.757 -8.018 130 3HG1 VAL 17 3HG1 VAL 17 4.565 1.013 -7.921 131 1HG2 VAL 17 1HG2 VAL 17 6.916 1.317 -5.128 132 2HG2 VAL 17 2HG2 VAL 17 5.162 1.302 -4.956 133 3HG2 VAL 17 3HG2 VAL 17 5.909 2.205 -6.273 134 H SER 18 H SER 18 6.581 -1.018 -3.316 135 HA SER 18 HA SER 18 9.441 -0.809 -3.716 136 1HB SER 18 2HB SER 18 8.103 0.678 -2.144 137 2HB SER 18 1HB SER 18 7.837 -0.768 -1.171 138 HG SER 18 HG SER 18 10.059 0.811 -1.448 139 H GLY 19 H GLY 19 7.221 -3.289 -3.458 140 1HA GLY 19 2HA GLY 19 7.609 -5.525 -3.384 141 2HA GLY 19 1HA GLY 19 9.232 -5.273 -2.799 142 H LYS 20 H LYS 20 7.010 -3.489 -1.062 143 HA LYS 20 HA LYS 20 7.182 -5.341 1.123 144 1HB LYS 20 2HB LYS 20 6.120 -2.504 0.984 145 2HB LYS 20 1HB LYS 20 5.899 -3.495 2.410 146 1HG LYS 20 2HG LYS 20 7.765 -1.957 2.702 147 2HG LYS 20 1HG LYS 20 8.352 -3.612 2.701 148 1HD LYS 20 2HD LYS 20 9.018 -3.331 0.340 149 2HD LYS 20 1HD LYS 20 8.436 -1.673 0.412 150 1HE LYS 20 2HE LYS 20 10.090 -1.120 2.094 151 2HE LYS 20 1HE LYS 20 10.651 -2.795 2.125 152 1HZ LYS 20 1HZ LYS 20 11.349 -2.579 -0.168 153 2HZ LYS 20 2HZ LYS 20 12.064 -1.326 0.697 154 3HZ LYS 20 3HZ LYS 20 10.739 -1.030 -0.264 155 H THR 21 H THR 21 5.475 -6.611 1.794 156 HA THR 21 HA THR 21 3.034 -6.299 0.215 157 HB THR 21 HB THR 21 2.587 -8.651 0.642 158 HG1 THR 21 1HG THR 21 4.417 -8.314 2.622 159 1HG2 THR 21 1HG2 THR 21 3.995 -8.150 -1.246 160 2HG2 THR 21 2HG2 THR 21 4.485 -9.688 -0.529 161 3HG2 THR 21 3HG2 THR 21 5.435 -8.223 -0.238 162 H LYS 22 H LYS 22 1.116 -6.201 1.286 163 HA LYS 22 HA LYS 22 1.206 -6.498 4.200 164 1HB LYS 22 2HB LYS 22 1.633 -4.066 3.513 165 2HB LYS 22 1HB LYS 22 -0.028 -4.081 2.933 166 1HG LYS 22 2HG LYS 22 0.094 -3.075 5.124 167 2HG LYS 22 1HG LYS 22 -0.803 -4.602 5.204 168 1HD LYS 22 2HD LYS 22 1.258 -5.732 5.986 169 2HD LYS 22 1HD LYS 22 2.092 -4.185 5.933 170 1HE LYS 22 2HE LYS 22 0.538 -3.315 7.612 171 2HE LYS 22 1HE LYS 22 -0.268 -4.882 7.666 172 1HZ LYS 22 1HZ LYS 22 1.350 -4.710 9.470 173 2HZ LYS 22 2HZ LYS 22 2.556 -4.342 8.366 174 3HZ LYS 22 3HZ LYS 22 1.888 -5.858 8.355 175 H GLU 23 H GLU 23 -0.919 -7.013 5.127 176 HA GLU 23 HA GLU 23 -2.988 -7.396 3.098 177 1HB GLU 23 2HB GLU 23 -1.492 -9.449 3.560 178 2HB GLU 23 1HB GLU 23 -2.270 -9.481 5.127 179 1HG GLU 23 2HG GLU 23 -4.441 -9.661 3.991 180 2HG GLU 23 1HG GLU 23 -3.580 -9.755 2.485 181 H PHE 24 H PHE 24 -4.949 -6.832 3.832 182 HA PHE 24 HA PHE 24 -5.592 -6.780 6.677 183 1HB PHE 24 2HB PHE 24 -5.800 -4.361 4.894 184 2HB PHE 24 1HB PHE 24 -6.723 -4.539 6.359 185 HD1 PHE 24 1HD PHE 24 -3.467 -3.878 4.910 186 HD2 PHE 24 2HD PHE 24 -5.676 -4.259 8.503 187 HE1 PHE 24 1HE PHE 24 -1.678 -2.699 6.133 188 HE2 PHE 24 2HE PHE 24 -3.902 -3.101 9.735 189 HZ PHE 24 HZ PHE 24 -1.899 -2.315 8.547 190 H LEU 25 H LEU 25 -7.860 -6.550 7.041 191 HA LEU 25 HA LEU 25 -9.523 -7.654 4.963 192 1HB LEU 25 2HB LEU 25 -10.223 -6.454 7.645 193 2HB LEU 25 1HB LEU 25 -11.331 -7.304 6.600 194 HG LEU 25 HG LEU 25 -8.954 -8.525 7.997 195 1HD1 LEU 25 1HD1 LEU 25 -11.915 -8.728 8.508 196 2HD1 LEU 25 2HD1 LEU 25 -10.741 -7.893 9.522 197 3HD1 LEU 25 3HD1 LEU 25 -10.664 -9.650 9.345 198 1HD2 LEU 25 1HD2 LEU 25 -9.931 -10.648 7.231 199 2HD2 LEU 25 2HD2 LEU 25 -9.441 -9.619 5.884 200 3HD2 LEU 25 3HD2 LEU 25 -11.144 -9.729 6.335 201 H PHE 26 H PHE 26 -10.517 -6.403 3.480 202 HA PHE 26 HA PHE 26 -11.150 -3.649 4.197 203 1HB PHE 26 2HB PHE 26 -9.932 -4.572 1.573 204 2HB PHE 26 1HB PHE 26 -10.673 -2.994 1.802 205 HD1 PHE 26 1HD PHE 26 -7.607 -4.893 2.050 206 HD2 PHE 26 2HD PHE 26 -9.658 -1.483 3.616 207 HE1 PHE 26 1HE PHE 26 -5.514 -3.996 2.820 208 HE2 PHE 26 2HE PHE 26 -7.504 -0.581 4.403 209 HZ PHE 26 HZ PHE 26 -5.415 -1.847 3.981 210 H SER 27 H SER 27 -12.920 -2.792 2.659 211 HA SER 27 HA SER 27 -14.784 -5.000 2.503 212 1HB SER 27 2HB SER 27 -16.532 -3.311 2.287 213 2HB SER 27 1HB SER 27 -15.494 -2.887 3.629 214 HG SER 27 HG SER 27 -14.355 -1.491 2.094 215 HA PRO 28 HA PRO 28 -14.356 -5.360 -1.852 216 1HB PRO 28 2HB PRO 28 -16.979 -5.836 -2.611 217 2HB PRO 28 1HB PRO 28 -15.881 -7.022 -1.858 218 1HG PRO 28 2HG PRO 28 -17.937 -5.309 -0.521 219 2HG PRO 28 1HG PRO 28 -17.678 -7.058 -0.368 220 1HD PRO 28 2HD PRO 28 -16.701 -5.415 1.475 221 2HD PRO 28 1HD PRO 28 -15.722 -6.778 0.871 222 H ASN 29 H ASN 29 -16.271 -2.942 -0.378 223 HA ASN 29 HA ASN 29 -16.819 -1.458 -2.813 224 1HB ASN 29 2HB ASN 29 -18.469 -1.501 -0.950 225 2HB ASN 29 1HB ASN 29 -17.297 -0.708 0.091 226 1HD2 ASN 29 1HD2 ASN 29 -18.665 1.043 0.454 227 2HD2 ASN 29 2HD2 ASN 29 -18.969 2.227 -0.763 228 H ASP 30 H ASP 30 -14.174 -1.801 -0.710 229 HA ASP 30 HA ASP 30 -13.289 0.916 -0.896 230 1HB ASP 30 2HB ASP 30 -11.831 -1.552 0.087 231 2HB ASP 30 1HB ASP 30 -11.049 0.016 -0.033 232 H SER 31 H SER 31 -11.324 1.636 -1.958 233 HA SER 31 HA SER 31 -11.178 0.478 -4.645 234 1HB SER 31 2HB SER 31 -10.240 3.115 -3.526 235 2HB SER 31 1HB SER 31 -10.251 2.653 -5.223 236 HG SER 31 HG SER 31 -12.530 2.716 -3.574 237 H ALA 32 H ALA 32 -9.503 -0.684 -5.182 238 HA ALA 32 HA ALA 32 -7.625 -1.717 -3.472 239 1HB ALA 32 1HB ALA 32 -8.310 -2.677 -5.593 240 2HB ALA 32 2HB ALA 32 -6.543 -2.592 -5.473 241 3HB ALA 32 3HB ALA 32 -7.447 -1.394 -6.418 242 H SER 33 H SER 33 -6.884 0.902 -5.853 243 HA SER 33 HA SER 33 -4.190 0.951 -4.891 244 1HB SER 33 2HB SER 33 -5.471 2.896 -6.842 245 2HB SER 33 1HB SER 33 -3.769 2.540 -6.590 246 HG SER 33 HG SER 33 -5.045 1.451 -8.343 247 H ASP 34 H ASP 34 -7.081 2.589 -4.160 248 HA ASP 34 HA ASP 34 -6.006 4.860 -2.782 249 1HB ASP 34 2HB ASP 34 -8.470 4.530 -3.419 250 2HB ASP 34 1HB ASP 34 -8.525 3.286 -2.201 251 H ILE 35 H ILE 35 -6.925 1.601 -1.987 252 HA ILE 35 HA ILE 35 -6.218 1.488 0.733 253 HB ILE 35 HB ILE 35 -6.278 -0.654 -1.394 254 1HG1 ILE 35 2HG1 ILE 35 -8.276 0.025 0.765 255 2HG1 ILE 35 1HG1 ILE 35 -8.451 0.384 -0.953 256 1HG2 ILE 35 1HG2 ILE 35 -6.091 -0.966 1.576 257 2HG2 ILE 35 2HG2 ILE 35 -4.829 -1.309 0.399 258 3HG2 ILE 35 3HG2 ILE 35 -6.311 -2.275 0.410 259 1HD1 ILE 35 1HD1 ILE 35 -9.729 -1.591 -0.334 260 2HD1 ILE 35 2HD1 ILE 35 -8.252 -2.338 0.286 261 3HD1 ILE 35 3HD1 ILE 35 -8.410 -2.008 -1.437 262 H ALA 36 H ALA 36 -4.319 1.004 -2.216 263 HA ALA 36 HA ALA 36 -1.971 0.020 -1.195 264 1HB ALA 36 1HB ALA 36 -2.386 0.352 -3.594 265 2HB ALA 36 2HB ALA 36 -0.835 1.013 -3.092 266 3HB ALA 36 3HB ALA 36 -2.199 2.091 -3.376 267 H LYS 37 H LYS 37 -3.202 3.308 -0.977 268 HA LYS 37 HA LYS 37 -0.767 4.461 -0.033 269 1HB LYS 37 2HB LYS 37 -3.035 5.489 -1.073 270 2HB LYS 37 1HB LYS 37 -3.497 5.537 0.597 271 1HG LYS 37 2HG LYS 37 -1.146 6.999 -0.619 272 2HG LYS 37 1HG LYS 37 -2.709 7.703 -0.279 273 1HD LYS 37 2HD LYS 37 -1.420 8.427 1.503 274 2HD LYS 37 1HD LYS 37 -2.183 6.993 2.175 275 1HE LYS 37 2HE LYS 37 -0.151 5.710 1.688 276 2HE LYS 37 1HE LYS 37 0.609 7.171 1.042 277 1HZ LYS 37 1HZ LYS 37 -0.320 6.745 3.826 278 2HZ LYS 37 2HZ LYS 37 0.214 8.204 3.206 279 3HZ LYS 37 3HZ LYS 37 1.299 6.917 3.322 280 H HIS 38 H HIS 38 -3.635 2.997 1.353 281 HA HIS 38 HA HIS 38 -3.288 3.502 4.141 282 1HB HIS 38 2HB HIS 38 -5.390 2.726 3.131 283 2HB HIS 38 1HB HIS 38 -4.645 1.188 2.741 284 HD1 HIS 38 1HD HIS 38 -3.832 -0.177 5.095 285 HD2 HIS 38 2HD HIS 38 -6.786 2.722 5.362 286 HE1 HIS 38 1HE HIS 38 -5.014 -0.640 7.247 287 HE2 HIS 38 2HE HIS 38 -6.915 0.996 7.308 288 H VAL 39 H VAL 39 -2.560 0.668 2.206 289 HA VAL 39 HA VAL 39 -1.327 -0.740 4.314 290 HB VAL 39 HB VAL 39 -0.652 -2.346 2.573 291 1HG1 VAL 39 1HG1 VAL 39 -2.857 -2.452 3.704 292 2HG1 VAL 39 2HG1 VAL 39 -2.994 -2.990 2.040 293 3HG1 VAL 39 3HG1 VAL 39 -3.546 -1.395 2.482 294 1HG2 VAL 39 1HG2 VAL 39 -2.091 -0.433 0.805 295 2HG2 VAL 39 2HG2 VAL 39 -1.475 -2.010 0.305 296 3HG2 VAL 39 3HG2 VAL 39 -0.350 -0.711 0.751 297 H TYR 40 H TYR 40 -0.163 1.390 1.895 298 HA TYR 40 HA TYR 40 2.526 1.012 1.674 299 1HB TYR 40 2HB TYR 40 1.270 2.787 0.561 300 2HB TYR 40 1HB TYR 40 1.036 3.605 2.088 301 HD1 TYR 40 1HD TYR 40 2.839 4.938 3.058 302 HD2 TYR 40 2HD TYR 40 3.366 2.878 -0.614 303 HE1 TYR 40 1HE TYR 40 4.831 6.294 2.592 304 HE2 TYR 40 2HE TYR 40 5.356 4.220 -1.091 305 HH TYR 40 HH TYR 40 6.213 6.407 -0.466 306 H ASP 41 H ASP 41 0.905 2.812 4.315 307 HA ASP 41 HA ASP 41 2.553 1.883 6.365 308 1HB ASP 41 2HB ASP 41 4.347 3.231 5.305 309 2HB ASP 41 1HB ASP 41 3.343 4.669 5.434 310 H ASN 42 H ASN 42 1.512 5.205 5.802 311 HA ASN 42 HA ASN 42 -0.417 4.971 8.017 312 1HB ASN 42 2HB ASN 42 1.239 6.862 8.086 313 2HB ASN 42 1HB ASN 42 0.601 7.411 6.539 314 1HD2 ASN 42 1HD2 ASN 42 -0.098 9.363 7.248 315 2HD2 ASN 42 2HD2 ASN 42 -1.410 9.575 8.354 316 H TRP 43 H TRP 43 -2.589 5.686 7.592 317 HA TRP 43 HA TRP 43 -3.317 5.130 4.872 318 1HB TRP 43 2HB TRP 43 -5.655 5.120 5.653 319 2HB TRP 43 1HB TRP 43 -4.655 4.085 6.647 320 HD1 TRP 43 HD TRP 43 -3.972 5.213 9.143 321 HE1 TRP 43 1HE TRP 43 -5.452 6.660 10.663 322 HE3 TRP 43 3HE TRP 43 -7.396 6.739 5.683 323 HZ2 TRP 43 2HZ TRP 43 -7.785 8.237 10.417 324 HZ3 TRP 43 3HZ TRP 43 -9.227 8.213 6.402 325 HH2 TRP 43 HH TRP 43 -9.419 8.940 8.707 326 HA PRO 44 HA PRO 44 -3.419 9.010 3.171 327 1HB PRO 44 2HB PRO 44 -5.750 8.957 1.655 328 2HB PRO 44 1HB PRO 44 -4.200 8.267 1.165 329 1HG PRO 44 2HG PRO 44 -6.578 6.909 2.338 330 2HG PRO 44 1HG PRO 44 -5.448 6.338 1.097 331 1HD PRO 44 2HD PRO 44 -5.341 5.466 3.634 332 2HD PRO 44 1HD PRO 44 -3.892 5.652 2.647 333 H MET 45 H MET 45 -3.664 10.319 4.908 334 HA MET 45 HA MET 45 -6.258 11.582 5.019 335 1HB MET 45 2HB MET 45 -6.089 10.052 6.992 336 2HB MET 45 1HB MET 45 -4.658 10.923 7.503 337 1HG MET 45 2HG MET 45 -6.365 11.767 8.850 338 2HG MET 45 1HG MET 45 -6.143 12.986 7.611 339 1HE MET 45 1HE MET 45 -8.062 11.612 5.064 340 2HE MET 45 2HE MET 45 -7.874 13.298 5.541 341 3HE MET 45 3HE MET 45 -9.479 12.579 5.472 342 H ASP 46 H ASP 46 -5.150 12.931 3.592 343 HA ASP 46 HA ASP 46 -4.146 15.295 4.736 344 1HB ASP 46 2HB ASP 46 -2.060 13.751 4.742 345 2HB ASP 46 1HB ASP 46 -2.192 13.716 2.992 346 H TRP 47 H TRP 47 -3.056 16.245 2.234 347 HA TRP 47 HA TRP 47 -5.484 15.806 0.656 348 1HB TRP 47 2HB TRP 47 -5.347 18.129 1.512 349 2HB TRP 47 1HB TRP 47 -3.797 18.323 0.709 350 HD1 TRP 47 HD TRP 47 -7.378 17.339 -0.415 351 HE1 TRP 47 1HE TRP 47 -7.866 18.547 -2.638 352 HE3 TRP 47 3HE TRP 47 -2.929 19.780 -1.009 353 HZ2 TRP 47 2HZ TRP 47 -6.551 20.311 -4.393 354 HZ3 TRP 47 3HZ TRP 47 -2.628 21.215 -2.982 355 HH2 TRP 47 HH TRP 47 -4.402 21.469 -4.640 356 H GLU 48 H GLU 48 -2.484 17.365 -0.304 357 HA GLU 48 HA GLU 48 -1.693 15.241 -2.092 358 1HB GLU 48 2HB GLU 48 -2.634 17.960 -3.077 359 2HB GLU 48 1HB GLU 48 -1.659 16.873 -4.034 360 1HG GLU 48 2HG GLU 48 -4.407 16.207 -3.009 361 2HG GLU 48 1HG GLU 48 -4.086 16.914 -4.589 362 H GLU 49 H GLU 49 0.522 15.372 -2.221 363 HA GLU 49 HA GLU 49 1.833 17.930 -2.072 364 1HB GLU 49 2HB GLU 49 1.589 17.328 0.330 365 2HB GLU 49 1HB GLU 49 2.472 15.841 0.027 366 1HG GLU 49 2HG GLU 49 3.945 17.508 1.024 367 2HG GLU 49 1HG GLU 49 4.431 17.129 -0.626 368 H GLU 50 H GLU 50 2.620 14.459 -1.702 369 HA GLU 50 HA GLU 50 4.610 14.852 -3.783 370 1HB GLU 50 2HB GLU 50 5.185 13.565 -1.669 371 2HB GLU 50 1HB GLU 50 4.036 12.341 -2.189 372 1HG GLU 50 2HG GLU 50 6.276 11.645 -2.821 373 2HG GLU 50 1HG GLU 50 5.371 11.983 -4.249 374 H GLN 51 H GLN 51 3.993 14.549 -5.766 375 HA GLN 51 HA GLN 51 2.861 14.012 -7.573 376 1HB GLN 51 2HB GLN 51 2.029 11.538 -6.038 377 2HB GLN 51 1HB GLN 51 1.747 11.787 -7.758 378 1HG GLN 51 2HG GLN 51 4.445 11.708 -6.433 379 2HG GLN 51 1HG GLN 51 3.706 10.375 -7.316 380 1HE2 GLN 51 1HE2 GLN 51 6.182 11.866 -7.797 381 2HE2 GLN 51 2HE2 GLN 51 6.064 12.473 -9.403 382 H VAL 52 H VAL 52 1.488 15.576 -7.791 383 HA VAL 52 HA VAL 52 -0.925 15.552 -6.141 384 HB VAL 52 HB VAL 52 -1.025 17.982 -6.399 385 1HG1 VAL 52 1HG1 VAL 52 1.684 17.043 -5.477 386 2HG1 VAL 52 2HG1 VAL 52 0.226 17.065 -4.499 387 3HG1 VAL 52 3HG1 VAL 52 0.937 18.578 -5.056 388 1HG2 VAL 52 1HG2 VAL 52 1.580 17.725 -7.918 389 2HG2 VAL 52 2HG2 VAL 52 0.832 19.241 -7.417 390 3HG2 VAL 52 3HG2 VAL 52 0.029 18.209 -8.601 391 H SER 53 H SER 53 -2.841 15.536 -7.019 392 HA SER 53 HA SER 53 -4.566 15.568 -8.494 393 1HB SER 53 2HB SER 53 -2.780 17.505 -9.984 394 2HB SER 53 1HB SER 53 -4.515 17.304 -10.241 395 HG SER 53 HG SER 53 -4.656 17.730 -7.901 396 H SER 54 H SER 54 -2.393 13.572 -8.890 397 HA SER 54 HA SER 54 -3.019 13.002 -11.672 398 1HB SER 54 2HB SER 54 -0.662 13.683 -11.523 399 2HB SER 54 1HB SER 54 -0.377 12.424 -10.323 400 HG SER 54 HG SER 54 0.219 11.756 -12.411 401 HA PRO 55 HA PRO 55 -4.525 9.344 -9.483 402 1HB PRO 55 2HB PRO 55 -6.165 8.526 -11.452 403 2HB PRO 55 1HB PRO 55 -6.636 9.816 -10.338 404 1HG PRO 55 2HG PRO 55 -5.566 10.017 -13.131 405 2HG PRO 55 1HG PRO 55 -6.881 10.937 -12.380 406 1HD PRO 55 2HD PRO 55 -4.375 11.917 -12.682 407 2HD PRO 55 1HD PRO 55 -5.428 12.387 -11.330 408 H ASN 56 H ASN 56 -2.880 9.861 -12.399 409 HA ASN 56 HA ASN 56 -2.691 7.304 -13.545 410 1HB ASN 56 2HB ASN 56 -0.707 9.576 -13.684 411 2HB ASN 56 1HB ASN 56 -0.678 8.148 -14.701 412 1HD2 ASN 56 1HD2 ASN 56 -0.867 9.346 -16.570 413 2HD2 ASN 56 2HD2 ASN 56 -2.320 10.153 -17.031 414 H ILE 57 H ILE 57 -1.166 8.598 -10.742 415 HA ILE 57 HA ILE 57 1.103 6.852 -10.838 416 HB ILE 57 HB ILE 57 1.600 7.540 -8.598 417 1HG1 ILE 57 2HG1 ILE 57 -0.914 9.206 -8.601 418 2HG1 ILE 57 1HG1 ILE 57 -0.851 7.604 -7.884 419 1HG2 ILE 57 1HG2 ILE 57 0.723 9.854 -10.319 420 2HG2 ILE 57 2HG2 ILE 57 2.270 9.014 -10.407 421 3HG2 ILE 57 3HG2 ILE 57 1.861 9.952 -8.973 422 1HD1 ILE 57 1HD1 ILE 57 -0.514 9.359 -6.221 423 2HD1 ILE 57 2HD1 ILE 57 0.920 9.887 -7.154 424 3HD1 ILE 57 3HD1 ILE 57 0.871 8.271 -6.432 425 H LEU 58 H LEU 58 -2.148 6.645 -9.651 426 HA LEU 58 HA LEU 58 -1.406 4.172 -8.342 427 1HB LEU 58 2HB LEU 58 -3.480 4.437 -6.931 428 2HB LEU 58 1HB LEU 58 -2.201 5.571 -6.620 429 HG LEU 58 HG LEU 58 -3.583 7.249 -7.991 430 1HD1 LEU 58 1HD1 LEU 58 -5.081 5.689 -9.077 431 2HD1 LEU 58 2HD1 LEU 58 -5.971 6.869 -8.116 432 3HD1 LEU 58 3HD1 LEU 58 -5.751 5.226 -7.511 433 1HD2 LEU 58 1HD2 LEU 58 -3.357 7.370 -5.587 434 2HD2 LEU 58 2HD2 LEU 58 -4.661 6.198 -5.385 435 3HD2 LEU 58 3HD2 LEU 58 -5.002 7.786 -6.068 436 H ARG 59 H ARG 59 -1.652 2.528 -9.345 437 HA ARG 59 HA ARG 59 -4.139 1.979 -10.693 438 1HB ARG 59 2HB ARG 59 -1.454 1.877 -12.080 439 2HB ARG 59 1HB ARG 59 -2.871 1.015 -12.679 440 1HG ARG 59 2HG ARG 59 -4.058 3.059 -12.991 441 2HG ARG 59 1HG ARG 59 -2.758 3.993 -12.245 442 1HD ARG 59 2HD ARG 59 -1.306 3.393 -14.111 443 2HD ARG 59 1HD ARG 59 -2.610 2.421 -14.812 444 HE ARG 59 HE ARG 59 -3.793 4.764 -14.514 445 1HH1 ARG 59 1HH1 ARG 59 -0.702 3.966 -16.016 446 2HH1 ARG 59 2HH1 ARG 59 -0.742 5.271 -17.112 447 1HH2 ARG 59 1HH2 ARG 59 -3.846 6.549 -16.039 448 2HH2 ARG 59 2HH2 ARG 59 -2.544 6.746 -17.132 449 H LEU 60 H LEU 60 -4.226 -0.386 -11.352 450 HA LEU 60 HA LEU 60 -2.763 -1.880 -9.336 451 1HB LEU 60 2HB LEU 60 -4.858 -3.067 -8.768 452 2HB LEU 60 1HB LEU 60 -4.797 -1.385 -8.298 453 HG LEU 60 HG LEU 60 -6.127 -0.963 -10.463 454 1HD1 LEU 60 1HD1 LEU 60 -7.616 -2.744 -11.122 455 2HD1 LEU 60 2HD1 LEU 60 -6.727 -3.879 -10.104 456 3HD1 LEU 60 3HD1 LEU 60 -5.932 -3.117 -11.488 457 1HD2 LEU 60 1HD2 LEU 60 -8.218 -1.302 -9.275 458 2HD2 LEU 60 2HD2 LEU 60 -6.964 -0.635 -8.235 459 3HD2 LEU 60 3HD2 LEU 60 -7.379 -2.354 -8.145 460 H ILE 61 H ILE 61 -2.287 -3.919 -9.709 461 HA ILE 61 HA ILE 61 -2.780 -4.949 -12.402 462 HB ILE 61 HB ILE 61 -0.384 -5.304 -10.579 463 1HG1 ILE 61 2HG1 ILE 61 -0.605 -3.988 -13.268 464 2HG1 ILE 61 1HG1 ILE 61 -0.608 -3.114 -11.746 465 1HG2 ILE 61 1HG2 ILE 61 -0.841 -7.360 -11.861 466 2HG2 ILE 61 2HG2 ILE 61 0.619 -6.563 -12.453 467 3HG2 ILE 61 3HG2 ILE 61 -0.890 -6.417 -13.351 468 1HD1 ILE 61 1HD1 ILE 61 1.572 -3.032 -12.792 469 2HD1 ILE 61 2HD1 ILE 61 1.638 -4.800 -12.863 470 3HD1 ILE 61 3HD1 ILE 61 1.671 -3.972 -11.304 471 H TYR 62 H TYR 62 -3.889 -6.859 -12.366 472 HA TYR 62 HA TYR 62 -4.248 -8.118 -9.742 473 1HB TYR 62 2HB TYR 62 -6.292 -7.297 -10.908 474 2HB TYR 62 1HB TYR 62 -5.971 -8.403 -12.226 475 HD1 TYR 62 1HD TYR 62 -8.382 -9.140 -11.807 476 HD2 TYR 62 2HD TYR 62 -5.286 -9.766 -8.932 477 HE1 TYR 62 1HE TYR 62 -9.763 -10.789 -10.711 478 HE2 TYR 62 2HE TYR 62 -6.676 -11.452 -7.824 479 HH TYR 62 HH TYR 62 -9.395 -12.727 -9.311 480 H GLN 63 H GLN 63 -1.990 -8.762 -10.387 481 HA GLN 63 HA GLN 63 -0.506 -10.370 -10.649 482 1HB GLN 63 2HB GLN 63 -2.903 -12.210 -10.742 483 2HB GLN 63 1HB GLN 63 -1.219 -12.693 -10.531 484 1HG GLN 63 2HG GLN 63 -1.114 -11.394 -8.453 485 2HG GLN 63 1HG GLN 63 -2.801 -10.951 -8.660 486 1HE2 GLN 63 1HE2 GLN 63 -4.388 -12.490 -8.284 487 2HE2 GLN 63 2HE2 GLN 63 -4.067 -13.955 -7.445 488 H GLY 64 H GLY 64 -1.906 -9.116 -13.035 489 1HA GLY 64 2HA GLY 64 -0.356 -10.566 -14.965 490 2HA GLY 64 1HA GLY 64 -2.097 -10.658 -15.229 491 H ARG 65 H ARG 65 -3.168 -8.414 -15.015 492 HA ARG 65 HA ARG 65 -1.543 -6.450 -16.486 493 1HB ARG 65 2HB ARG 65 -3.498 -5.979 -17.905 494 2HB ARG 65 1HB ARG 65 -2.947 -7.638 -18.094 495 1HG ARG 65 2HG ARG 65 -4.741 -8.428 -16.719 496 2HG ARG 65 1HG ARG 65 -5.237 -6.779 -16.350 497 1HD ARG 65 2HD ARG 65 -5.797 -6.425 -18.688 498 2HD ARG 65 1HD ARG 65 -5.248 -8.058 -19.079 499 HE ARG 65 HE ARG 65 -7.035 -8.569 -17.215 500 1HH1 ARG 65 1HH1 ARG 65 -7.313 -6.399 -20.000 501 2HH1 ARG 65 2HH1 ARG 65 -8.974 -6.679 -20.198 502 1HH2 ARG 65 1HH2 ARG 65 -9.325 -8.920 -17.501 503 2HH2 ARG 65 2HH2 ARG 65 -10.138 -8.120 -18.757 504 H PHE 66 H PHE 66 -2.866 -4.334 -16.630 505 HA PHE 66 HA PHE 66 -3.765 -3.591 -13.972 506 1HB PHE 66 2HB PHE 66 -3.542 -2.032 -16.527 507 2HB PHE 66 1HB PHE 66 -3.931 -1.301 -14.976 508 HD1 PHE 66 1HD PHE 66 -1.338 -2.636 -17.163 509 HD2 PHE 66 2HD PHE 66 -2.124 -0.967 -13.326 510 HE1 PHE 66 1HE PHE 66 1.049 -2.181 -16.875 511 HE2 PHE 66 2HE PHE 66 0.257 -0.521 -13.038 512 HZ PHE 66 HZ PHE 66 1.857 -1.121 -14.804 513 H LEU 67 H LEU 67 -5.828 -3.774 -13.510 514 HA LEU 67 HA LEU 67 -7.857 -4.276 -15.576 515 1HB LEU 67 2HB LEU 67 -8.258 -3.811 -12.640 516 2HB LEU 67 1HB LEU 67 -9.412 -4.487 -13.768 517 HG LEU 67 HG LEU 67 -6.825 -5.794 -12.954 518 1HD1 LEU 67 1HD1 LEU 67 -8.482 -5.655 -11.162 519 2HD1 LEU 67 2HD1 LEU 67 -8.211 -7.292 -11.695 520 3HD1 LEU 67 3HD1 LEU 67 -9.666 -6.426 -12.211 521 1HD2 LEU 67 1HD2 LEU 67 -7.731 -7.757 -14.102 522 2HD2 LEU 67 2HD2 LEU 67 -7.509 -6.415 -15.222 523 3HD2 LEU 67 3HD2 LEU 67 -9.125 -6.812 -14.629 524 H HIS 68 H HIS 68 -7.176 -1.810 -13.222 525 HA HIS 68 HA HIS 68 -8.082 0.326 -14.818 526 1HB HIS 68 2HB HIS 68 -9.774 -0.612 -12.517 527 2HB HIS 68 1HB HIS 68 -9.687 1.102 -12.872 528 HD1 HIS 68 1HD HIS 68 -11.641 -1.870 -13.620 529 HD2 HIS 68 2HD HIS 68 -10.604 1.609 -15.670 530 HE1 HIS 68 1HE HIS 68 -13.324 -1.616 -15.415 531 HE2 HIS 68 2HE HIS 68 -12.572 0.369 -16.761 532 H GLY 69 H GLY 69 -8.244 2.262 -12.991 533 1HA GLY 69 2HA GLY 69 -5.577 2.218 -12.002 534 2HA GLY 69 1HA GLY 69 -6.687 3.581 -12.019 535 H ASN 70 H ASN 70 -8.831 2.132 -10.574 536 HA ASN 70 HA ASN 70 -7.735 1.577 -7.995 537 1HB ASN 70 2HB ASN 70 -7.491 4.075 -8.283 538 2HB ASN 70 1HB ASN 70 -9.235 4.173 -8.447 539 1HD2 ASN 70 1HD2 ASN 70 -9.360 5.515 -6.652 540 2HD2 ASN 70 2HD2 ASN 70 -9.186 4.915 -5.050 541 H VAL 71 H VAL 71 -9.376 0.261 -9.789 542 HA VAL 71 HA VAL 71 -12.198 0.446 -9.219 543 HB VAL 71 HB VAL 71 -11.371 -0.513 -11.335 544 1HG1 VAL 71 1HG1 VAL 71 -10.423 -2.805 -11.392 545 2HG1 VAL 71 2HG1 VAL 71 -10.158 -2.664 -9.639 546 3HG1 VAL 71 3HG1 VAL 71 -9.367 -1.559 -10.759 547 1HG2 VAL 71 1HG2 VAL 71 -13.552 -1.211 -10.589 548 2HG2 VAL 71 2HG2 VAL 71 -12.813 -2.529 -9.668 549 3HG2 VAL 71 3HG2 VAL 71 -12.730 -2.530 -11.430 550 H THR 72 H THR 72 -13.502 -0.855 -8.001 551 HA THR 72 HA THR 72 -12.318 -1.388 -5.468 552 HB THR 72 HB THR 72 -14.690 -1.868 -4.813 553 HG1 THR 72 1HG THR 72 -16.252 -1.782 -6.296 554 1HG2 THR 72 1HG2 THR 72 -15.478 0.433 -5.102 555 2HG2 THR 72 2HG2 THR 72 -14.262 0.706 -6.348 556 3HG2 THR 72 3HG2 THR 72 -13.765 0.414 -4.679 557 H LEU 73 H LEU 73 -12.653 -3.378 -4.287 558 HA LEU 73 HA LEU 73 -11.728 -5.595 -5.736 559 1HB LEU 73 2HB LEU 73 -12.751 -5.394 -2.931 560 2HB LEU 73 1HB LEU 73 -11.933 -6.792 -3.588 561 HG LEU 73 HG LEU 73 -10.346 -5.698 -2.340 562 1HD1 LEU 73 1HD1 LEU 73 -9.863 -4.821 -5.145 563 2HD1 LEU 73 2HD1 LEU 73 -9.423 -6.367 -4.417 564 3HD1 LEU 73 3HD1 LEU 73 -8.645 -4.878 -3.882 565 1HD2 LEU 73 1HD2 LEU 73 -9.787 -3.319 -2.433 566 2HD2 LEU 73 2HD2 LEU 73 -11.464 -3.573 -1.947 567 3HD2 LEU 73 3HD2 LEU 73 -11.086 -3.060 -3.589 568 H GLY 74 H GLY 74 -14.944 -4.683 -4.673 569 1HA GLY 74 2HA GLY 74 -16.203 -7.196 -5.094 570 2HA GLY 74 1HA GLY 74 -17.008 -5.629 -5.105 571 H ALA 75 H ALA 75 -15.279 -4.600 -7.201 572 HA ALA 75 HA ALA 75 -16.778 -5.459 -9.472 573 1HB ALA 75 1HB ALA 75 -14.442 -3.517 -9.255 574 2HB ALA 75 2HB ALA 75 -16.134 -3.091 -9.186 575 3HB ALA 75 3HB ALA 75 -15.453 -3.742 -10.671 576 H LEU 76 H LEU 76 -13.948 -6.480 -7.942 577 HA LEU 76 HA LEU 76 -12.626 -7.494 -10.318 578 1HB LEU 76 2HB LEU 76 -11.902 -7.658 -7.423 579 2HB LEU 76 1HB LEU 76 -10.853 -8.059 -8.780 580 HG LEU 76 HG LEU 76 -11.901 -5.339 -8.028 581 1HD1 LEU 76 1HD1 LEU 76 -10.154 -6.211 -6.644 582 2HD1 LEU 76 2HD1 LEU 76 -9.642 -4.823 -7.605 583 3HD1 LEU 76 3HD1 LEU 76 -9.156 -6.461 -8.070 584 1HD2 LEU 76 1HD2 LEU 76 -10.222 -6.245 -10.295 585 2HD2 LEU 76 2HD2 LEU 76 -10.444 -4.565 -9.824 586 3HD2 LEU 76 3HD2 LEU 76 -11.826 -5.512 -10.424 587 H LYS 77 H LYS 77 -15.200 -8.531 -8.800 588 HA LYS 77 HA LYS 77 -16.297 -10.495 -8.647 589 1HB LYS 77 2HB LYS 77 -13.914 -11.686 -10.131 590 2HB LYS 77 1HB LYS 77 -15.394 -12.556 -9.792 591 1HG LYS 77 2HG LYS 77 -15.430 -11.846 -12.091 592 2HG LYS 77 1HG LYS 77 -16.620 -10.893 -11.210 593 1HD LYS 77 2HD LYS 77 -14.932 -9.081 -11.022 594 2HD LYS 77 1HD LYS 77 -13.844 -10.024 -12.023 595 1HE LYS 77 2HE LYS 77 -15.404 -9.916 -13.871 596 2HE LYS 77 1HE LYS 77 -16.589 -9.090 -12.854 597 1HZ LYS 77 1HZ LYS 77 -15.027 -7.263 -12.602 598 2HZ LYS 77 2HZ LYS 77 -15.389 -7.493 -14.224 599 3HZ LYS 77 3HZ LYS 77 -13.922 -8.031 -13.603 600 H LEU 78 H LEU 78 -14.214 -9.603 -6.696 601 HA LEU 78 HA LEU 78 -13.237 -12.043 -5.558 602 1HB LEU 78 2HB LEU 78 -13.100 -9.221 -4.527 603 2HB LEU 78 1HB LEU 78 -12.255 -10.601 -3.843 604 HG LEU 78 HG LEU 78 -11.821 -9.397 -6.560 605 1HD1 LEU 78 1HD1 LEU 78 -10.069 -9.468 -4.114 606 2HD1 LEU 78 2HD1 LEU 78 -10.880 -8.055 -4.794 607 3HD1 LEU 78 3HD1 LEU 78 -9.600 -8.855 -5.699 608 1HD2 LEU 78 1HD2 LEU 78 -11.550 -11.796 -6.673 609 2HD2 LEU 78 2HD2 LEU 78 -10.493 -11.763 -5.266 610 3HD2 LEU 78 3HD2 LEU 78 -9.984 -10.998 -6.773 611 HA PRO 79 HA PRO 79 -16.871 -12.336 -3.037 612 1HB PRO 79 2HB PRO 79 -16.116 -14.855 -2.030 613 2HB PRO 79 1HB PRO 79 -17.177 -14.543 -3.400 614 1HG PRO 79 2HG PRO 79 -14.601 -15.705 -3.481 615 2HG PRO 79 1HG PRO 79 -15.580 -15.202 -4.857 616 1HD PRO 79 2HD PRO 79 -13.293 -13.841 -3.582 617 2HD PRO 79 1HD PRO 79 -13.933 -13.739 -5.242 618 H PHE 80 H PHE 80 -17.260 -11.831 -0.936 619 HA PHE 80 HA PHE 80 -15.021 -11.328 0.695 620 1HB PHE 80 2HB PHE 80 -16.867 -10.774 2.452 621 2HB PHE 80 1HB PHE 80 -16.579 -9.694 1.100 622 HD1 PHE 80 1HD PHE 80 -18.282 -9.128 -0.305 623 HD2 PHE 80 2HD PHE 80 -18.782 -12.442 2.296 624 HE1 PHE 80 1HE PHE 80 -20.685 -9.232 -0.909 625 HE2 PHE 80 2HE PHE 80 -21.174 -12.566 1.710 626 HZ PHE 80 HZ PHE 80 -22.126 -10.955 0.101 627 H GLY 81 H GLY 81 -14.407 -12.074 2.607 628 1HA GLY 81 2HA GLY 81 -14.138 -13.693 4.214 629 2HA GLY 81 1HA GLY 81 -15.305 -14.731 3.451 630 H LYS 82 H LYS 82 -13.350 -13.607 1.042 631 HA LYS 82 HA LYS 82 -11.645 -15.989 1.189 632 1HB LYS 82 2HB LYS 82 -12.480 -14.370 -1.217 633 2HB LYS 82 1HB LYS 82 -11.426 -15.771 -1.264 634 1HG LYS 82 2HG LYS 82 -14.335 -15.748 -0.446 635 2HG LYS 82 1HG LYS 82 -13.670 -16.334 -1.969 636 1HD LYS 82 2HD LYS 82 -13.074 -17.463 0.745 637 2HD LYS 82 1HD LYS 82 -14.199 -18.153 -0.413 638 1HE LYS 82 2HE LYS 82 -12.352 -18.441 -2.013 639 2HE LYS 82 1HE LYS 82 -11.225 -17.795 -0.824 640 1HZ LYS 82 1HZ LYS 82 -11.799 -19.674 0.634 641 2HZ LYS 82 2HZ LYS 82 -11.179 -20.181 -0.844 642 3HZ LYS 82 3HZ LYS 82 -12.836 -20.265 -0.565 643 H THR 83 H THR 83 -9.489 -15.793 0.349 644 HA THR 83 HA THR 83 -8.291 -13.199 0.978 645 HB THR 83 HB THR 83 -7.105 -15.982 0.882 646 HG1 THR 83 1HG THR 83 -8.619 -15.432 2.593 647 1HG2 THR 83 1HG2 THR 83 -5.138 -14.959 1.950 648 2HG2 THR 83 2HG2 THR 83 -5.901 -13.371 1.852 649 3HG2 THR 83 3HG2 THR 83 -5.440 -14.223 0.378 650 H THR 84 H THR 84 -7.487 -12.045 -0.597 651 HA THR 84 HA THR 84 -6.645 -13.384 -3.085 652 HB THR 84 HB THR 84 -8.247 -10.811 -2.962 653 HG1 THR 84 1HG THR 84 -9.653 -12.406 -2.556 654 1HG2 THR 84 1HG2 THR 84 -8.368 -11.041 -5.407 655 2HG2 THR 84 2HG2 THR 84 -7.415 -12.515 -5.325 656 3HG2 THR 84 3HG2 THR 84 -6.684 -10.969 -4.887 657 H VAL 85 H VAL 85 -4.810 -12.457 -4.103 658 HA VAL 85 HA VAL 85 -3.573 -10.233 -2.658 659 HB VAL 85 HB VAL 85 -2.306 -12.307 -2.306 660 1HG1 VAL 85 1HG1 VAL 85 -2.052 -12.455 -5.300 661 2HG1 VAL 85 2HG1 VAL 85 -2.970 -13.549 -4.264 662 3HG1 VAL 85 3HG1 VAL 85 -1.211 -13.489 -4.143 663 1HG2 VAL 85 1HG2 VAL 85 -1.013 -10.245 -2.443 664 2HG2 VAL 85 2HG2 VAL 85 -0.872 -10.436 -4.188 665 3HG2 VAL 85 3HG2 VAL 85 -0.095 -11.596 -3.112 666 H MET 86 H MET 86 -2.954 -8.466 -3.795 667 HA MET 86 HA MET 86 -2.933 -8.625 -6.709 668 1HB MET 86 2HB MET 86 -4.488 -6.586 -5.125 669 2HB MET 86 1HB MET 86 -4.134 -6.450 -6.841 670 1HG MET 86 2HG MET 86 -5.367 -8.489 -7.270 671 2HG MET 86 1HG MET 86 -5.725 -8.659 -5.562 672 1HE MET 86 1HE MET 86 -5.690 -5.318 -7.759 673 2HE MET 86 2HE MET 86 -7.389 -5.318 -8.278 674 3HE MET 86 3HE MET 86 -6.306 -6.588 -8.823 675 H HIS 87 H HIS 87 -1.827 -6.939 -7.750 676 HA HIS 87 HA HIS 87 0.271 -5.814 -6.051 677 1HB HIS 87 2HB HIS 87 0.225 -6.439 -9.004 678 2HB HIS 87 1HB HIS 87 1.503 -5.523 -8.208 679 HD1 HIS 87 1HD HIS 87 3.453 -6.875 -7.513 680 HD2 HIS 87 2HD HIS 87 -0.000 -9.179 -7.622 681 HE1 HIS 87 1HE HIS 87 4.178 -9.238 -7.004 682 HE2 HIS 87 2HE HIS 87 2.142 -10.585 -7.519 683 H LEU 88 H LEU 88 0.534 -3.650 -5.938 684 HA LEU 88 HA LEU 88 -1.323 -2.070 -7.555 685 1HB LEU 88 2HB LEU 88 -0.439 -1.617 -4.700 686 2HB LEU 88 1HB LEU 88 -1.384 -0.492 -5.642 687 HG LEU 88 HG LEU 88 -2.820 -1.597 -4.088 688 1HD1 LEU 88 1HD1 LEU 88 -3.300 -2.679 -6.831 689 2HD1 LEU 88 2HD1 LEU 88 -3.813 -1.114 -6.191 690 3HD1 LEU 88 3HD1 LEU 88 -4.474 -2.605 -5.521 691 1HD2 LEU 88 1HD2 LEU 88 -1.538 -3.597 -3.629 692 2HD2 LEU 88 2HD2 LEU 88 -1.859 -4.197 -5.253 693 3HD2 LEU 88 3HD2 LEU 88 -3.184 -4.027 -4.104 694 H VAL 89 H VAL 89 -0.517 -0.207 -8.409 695 HA VAL 89 HA VAL 89 2.280 0.184 -7.825 696 HB VAL 89 HB VAL 89 2.643 1.099 -10.097 697 1HG1 VAL 89 1HG1 VAL 89 2.591 -1.017 -11.316 698 2HG1 VAL 89 2HG1 VAL 89 1.534 -1.693 -10.085 699 3HG1 VAL 89 3HG1 VAL 89 3.188 -1.231 -9.667 700 1HG2 VAL 89 1HG2 VAL 89 -0.105 0.046 -10.714 701 2HG2 VAL 89 2HG2 VAL 89 1.029 0.796 -11.852 702 3HG2 VAL 89 3HG2 VAL 89 0.306 1.756 -10.559 703 H ALA 90 H ALA 90 2.960 2.034 -7.263 704 HA ALA 90 HA ALA 90 1.340 4.413 -7.575 705 1HB ALA 90 1HB ALA 90 1.960 5.149 -5.337 706 2HB ALA 90 2HB ALA 90 2.805 3.623 -5.031 707 3HB ALA 90 3HB ALA 90 1.044 3.644 -5.225 708 H ARG 91 H ARG 91 2.719 6.295 -7.739 709 HA ARG 91 HA ARG 91 5.429 5.470 -8.453 710 1HB ARG 91 2HB ARG 91 4.095 5.584 -10.461 711 2HB ARG 91 1HB ARG 91 3.562 7.201 -10.049 712 1HG ARG 91 2HG ARG 91 5.716 8.103 -10.441 713 2HG ARG 91 1HG ARG 91 6.433 6.488 -10.568 714 1HD ARG 91 2HD ARG 91 4.338 7.617 -12.423 715 2HD ARG 91 1HD ARG 91 6.062 7.507 -12.789 716 HE ARG 91 HE ARG 91 5.466 4.999 -12.115 717 1HH1 ARG 91 1HH1 ARG 91 3.912 7.189 -14.441 718 2HH1 ARG 91 2HH1 ARG 91 3.409 5.954 -15.477 719 1HH2 ARG 91 1HH2 ARG 91 4.772 3.290 -13.577 720 2HH2 ARG 91 2HH2 ARG 91 3.914 3.690 -14.978 721 H GLU 92 H GLU 92 6.739 6.436 -7.174 722 HA GLU 92 HA GLU 92 7.681 7.998 -5.720 723 1HB GLU 92 2HB GLU 92 6.651 9.874 -7.853 724 2HB GLU 92 1HB GLU 92 7.850 10.266 -6.625 725 1HG GLU 92 2HG GLU 92 9.278 8.423 -7.567 726 2HG GLU 92 1HG GLU 92 8.118 8.302 -8.879 727 H THR 93 H THR 93 5.305 7.027 -5.066 728 HA THR 93 HA THR 93 3.895 9.214 -3.921 729 HB THR 93 HB THR 93 3.521 6.229 -3.596 730 HG1 THR 93 1HG THR 93 2.915 8.081 -5.536 731 1HG2 THR 93 1HG2 THR 93 2.441 7.564 -1.809 732 2HG2 THR 93 2HG2 THR 93 1.238 6.843 -2.882 733 3HG2 THR 93 3HG2 THR 93 1.647 8.553 -3.037 734 H LEU 94 H LEU 94 4.757 10.062 -2.070 735 HA LEU 94 HA LEU 94 6.341 8.389 -0.272 736 1HB LEU 94 2HB LEU 94 6.446 11.311 -0.882 737 2HB LEU 94 1HB LEU 94 6.998 10.747 0.650 738 HG LEU 94 HG LEU 94 8.690 9.300 -0.421 739 1HD1 LEU 94 1HD1 LEU 94 9.201 9.440 -2.783 740 2HD1 LEU 94 2HD1 LEU 94 7.826 10.496 -3.049 741 3HD1 LEU 94 3HD1 LEU 94 7.569 8.827 -2.533 742 1HD2 LEU 94 1HD2 LEU 94 9.296 11.557 0.225 743 2HD2 LEU 94 2HD2 LEU 94 8.822 12.140 -1.380 744 3HD2 LEU 94 3HD2 LEU 94 10.179 11.034 -1.207 745 HA PRO 95 HA PRO 95 3.687 8.737 3.273 746 1HB PRO 95 2HB PRO 95 5.935 10.087 4.691 747 2HB PRO 95 1HB PRO 95 4.998 8.674 5.182 748 1HG PRO 95 2HG PRO 95 7.469 8.429 4.289 749 2HG PRO 95 1HG PRO 95 6.233 7.233 3.860 750 1HD PRO 95 2HD PRO 95 7.434 9.416 2.232 751 2HD PRO 95 1HD PRO 95 6.885 7.802 1.732 752 H GLU 96 H GLU 96 2.520 10.280 4.465 753 HA GLU 96 HA GLU 96 2.123 12.695 3.157 754 1HB GLU 96 2HB GLU 96 1.185 11.811 5.880 755 2HB GLU 96 1HB GLU 96 0.722 13.332 5.161 756 1HG GLU 96 2HG GLU 96 -0.998 11.775 4.977 757 2HG GLU 96 1HG GLU 96 -0.351 12.171 3.394 758 HA PRO 97 HA PRO 97 4.842 15.316 5.522 759 1HB PRO 97 2HB PRO 97 3.730 17.700 4.888 760 2HB PRO 97 1HB PRO 97 4.710 16.805 3.724 761 1HG PRO 97 2HG PRO 97 1.732 16.945 3.974 762 2HG PRO 97 1HG PRO 97 2.720 17.051 2.508 763 1HD PRO 97 2HD PRO 97 1.464 14.787 3.262 764 2HD PRO 97 1HD PRO 97 3.021 14.763 2.408 765 H ASN 98 H ASN 98 1.258 15.410 5.588 766 HA ASN 98 HA ASN 98 -0.266 15.572 7.184 767 1HB ASN 98 2HB ASN 98 2.046 15.566 9.159 768 2HB ASN 98 1HB ASN 98 0.346 15.537 9.598 769 1HD2 ASN 98 1HD2 ASN 98 2.468 13.646 10.200 770 2HD2 ASN 98 2HD2 ASN 98 1.958 12.109 9.618 771 H SER 99 H SER 99 1.313 17.622 5.944 772 HA SER 99 HA SER 99 1.259 19.807 7.852 773 1HB SER 99 2HB SER 99 2.329 21.125 6.002 774 2HB SER 99 1HB SER 99 3.249 19.715 6.531 775 HG SER 99 HG SER 99 1.871 20.176 4.152 776 H GLN 100 H GLN 100 -0.841 18.412 5.759 777 HA GLN 100 HA GLN 100 -2.172 20.901 5.050 778 1HB GLN 100 2HB GLN 100 -3.164 18.068 4.760 779 2HB GLN 100 1HB GLN 100 -3.968 19.508 4.149 780 1HG GLN 100 2HG GLN 100 -1.300 18.476 3.334 781 2HG GLN 100 1HG GLN 100 -2.814 18.334 2.437 782 1HE2 GLN 100 1HE2 GLN 100 -3.701 20.222 1.480 783 2HE2 GLN 100 2HE2 GLN 100 -2.736 21.631 1.216 784 H GLY 101 H GLY 101 -2.352 18.451 7.470 785 1HA GLY 101 2HA GLY 101 -3.408 18.435 9.489 786 2HA GLY 101 1HA GLY 101 -3.827 20.122 9.214 787 H GLN 102 H GLN 102 -4.711 17.757 6.862 788 HA GLN 102 HA GLN 102 -7.497 18.277 7.499 789 1HB GLN 102 2HB GLN 102 -6.326 16.700 5.211 790 2HB GLN 102 1HB GLN 102 -8.024 17.084 5.419 791 1HG GLN 102 2HG GLN 102 -7.450 19.482 5.238 792 2HG GLN 102 1HG GLN 102 -5.781 19.021 4.901 793 1HE2 GLN 102 1HE2 GLN 102 -7.604 20.452 3.212 794 2HE2 GLN 102 2HE2 GLN 102 -7.786 19.526 1.764 795 H ARG 103 H ARG 103 -8.390 17.072 8.958 796 HA ARG 103 HA ARG 103 -7.882 14.197 8.868 797 1HB ARG 103 2HB ARG 103 -6.806 15.214 10.852 798 2HB ARG 103 1HB ARG 103 -8.351 15.895 11.332 799 1HG ARG 103 2HG ARG 103 -9.263 13.662 11.635 800 2HG ARG 103 1HG ARG 103 -7.736 12.973 11.083 801 1HD ARG 103 2HD ARG 103 -6.581 13.974 12.971 802 2HD ARG 103 1HD ARG 103 -8.095 14.689 13.530 803 HE ARG 103 HE ARG 103 -8.765 12.147 13.418 804 1HH1 ARG 103 1HH1 ARG 103 -5.816 13.596 14.759 805 2HH1 ARG 103 2HH1 ARG 103 -5.608 12.388 15.940 806 1HH2 ARG 103 1HH2 ARG 103 -8.460 10.499 15.098 807 2HH2 ARG 103 2HH2 ARG 103 -7.118 10.639 16.133 808 H ASN 104 H ASN 104 -9.636 13.378 8.024 809 HA ASN 104 HA ASN 104 -12.164 14.749 8.236 810 1HB ASN 104 2HB ASN 104 -11.504 13.739 6.087 811 2HB ASN 104 1HB ASN 104 -11.486 12.151 6.845 812 1HD2 ASN 104 1HD2 ASN 104 -13.057 11.361 5.459 813 2HD2 ASN 104 2HD2 ASN 104 -14.707 11.826 5.557 814 H ARG 105 H ARG 105 -13.552 14.414 9.715 815 HA ARG 105 HA ARG 105 -13.258 12.365 11.649 816 1HB ARG 105 2HB ARG 105 -15.401 14.443 11.258 817 2HB ARG 105 1HB ARG 105 -15.341 13.338 12.628 818 1HG ARG 105 2HG ARG 105 -13.164 15.286 11.904 819 2HG ARG 105 1HG ARG 105 -14.385 15.572 13.142 820 1HD ARG 105 2HD ARG 105 -13.627 13.641 14.367 821 2HD ARG 105 1HD ARG 105 -12.417 13.265 13.135 822 HE ARG 105 HE ARG 105 -12.080 15.870 14.164 823 1HH1 ARG 105 1HH1 ARG 105 -11.594 12.477 15.030 824 2HH1 ARG 105 2HH1 ARG 105 -10.354 12.780 16.141 825 1HH2 ARG 105 1HH2 ARG 105 -10.355 16.305 15.644 826 2HH2 ARG 105 2HH2 ARG 105 -9.597 15.040 16.488 827 H GLU 106 H GLU 106 -15.075 12.644 8.755 828 HA GLU 106 HA GLU 106 -16.178 11.145 7.540 829 1HB GLU 106 2HB GLU 106 -14.481 9.520 8.061 830 2HB GLU 106 1HB GLU 106 -15.244 9.145 9.597 831 1HG GLU 106 2HG GLU 106 -17.163 8.199 8.431 832 2HG GLU 106 1HG GLU 106 -16.447 8.621 6.881 833 H LYS 107 H LYS 107 -18.121 11.796 7.501 834 HA LYS 107 HA LYS 107 -20.357 11.812 7.669 835 1HB LYS 107 2HB LYS 107 -20.084 9.293 7.978 836 2HB LYS 107 1HB LYS 107 -20.123 9.559 9.704 837 1HG LYS 107 2HG LYS 107 -22.386 10.256 7.836 838 2HG LYS 107 1HG LYS 107 -22.259 8.731 8.687 839 1HD LYS 107 2HD LYS 107 -22.410 9.901 10.819 840 2HD LYS 107 1HD LYS 107 -22.461 11.453 9.977 841 1HE LYS 107 2HE LYS 107 -24.487 9.231 9.689 842 2HE LYS 107 1HE LYS 107 -24.710 10.680 10.665 843 1HZ LYS 107 1HZ LYS 107 -24.366 10.596 7.694 844 2HZ LYS 107 2HZ LYS 107 -24.492 11.998 8.605 845 3HZ LYS 107 3HZ LYS 107 -25.791 10.980 8.504 846 H THR 108 H THR 108 -19.101 11.187 10.920 847 HA THR 108 HA THR 108 -20.784 13.099 12.179 848 HB THR 108 HB THR 108 -19.186 12.762 14.096 849 HG1 THR 108 1HG THR 108 -17.540 12.071 12.190 850 1HG2 THR 108 1HG2 THR 108 -21.092 11.221 13.792 851 2HG2 THR 108 2HG2 THR 108 -19.694 10.376 14.454 852 3HG2 THR 108 3HG2 THR 108 -20.097 10.210 12.745 853 H GLY 109 H GLY 109 -20.325 15.292 12.532 854 1HA GLY 109 2HA GLY 109 -18.382 16.494 10.847 855 2HA GLY 109 1HA GLY 109 -19.370 17.323 12.047 856 H GLU 110 H GLU 110 -18.527 15.605 14.175 857 HA GLU 110 HA GLU 110 -15.690 16.080 14.461 858 1HB GLU 110 2HB GLU 110 -16.055 17.131 16.648 859 2HB GLU 110 1HB GLU 110 -16.682 18.115 15.332 860 1HG GLU 110 2HG GLU 110 -18.959 17.211 15.845 861 2HG GLU 110 1HG GLU 110 -18.271 16.402 17.244 862 H SER 111 H SER 111 -14.768 14.620 15.945 863 HA SER 111 HA SER 111 -16.496 12.402 16.614 864 1HB SER 111 2HB SER 111 -13.508 12.728 17.030 865 2HB SER 111 1HB SER 111 -14.427 11.248 17.315 866 HG SER 111 HG SER 111 -15.006 11.309 15.093 867 H ASN 112 H ASN 112 -17.730 13.676 17.982 868 HA ASN 112 HA ASN 112 -16.879 13.665 20.731 869 1HB ASN 112 2HB ASN 112 -16.020 15.839 19.957 870 2HB ASN 112 1HB ASN 112 -17.598 16.238 19.298 871 1HD2 ASN 112 1HD2 ASN 112 -19.244 16.860 20.698 872 2HD2 ASN 112 2HD2 ASN 112 -18.935 17.265 22.348 873 H CYS 113 H CYS 113 -18.598 12.745 21.613 874 HA CYS 113 HA CYS 113 -21.147 12.840 20.356 875 1HB CYS 113 2HB CYS 113 -20.353 10.836 21.574 876 2HB CYS 113 1HB CYS 113 -20.371 11.758 23.075 877 HG CYS 113 HG CYS 113 -22.896 10.444 21.302 878 H CYS 114 H CYS 114 -22.582 14.404 20.597 879 HA CYS 114 HA CYS 114 -22.233 16.499 22.464 880 1HB CYS 114 2HB CYS 114 -24.473 17.256 21.615 881 2HB CYS 114 1HB CYS 114 -23.296 16.967 20.340 882 HG CYS 114 HG CYS 114 -25.503 14.580 21.235 883 H VAL 115 H VAL 115 -22.861 16.559 24.513 884 HA VAL 115 HA VAL 115 -24.390 14.285 25.436 885 HB VAL 115 HB VAL 115 -23.570 14.806 27.721 886 1HG1 VAL 115 1HG1 VAL 115 -21.431 14.546 25.616 887 2HG1 VAL 115 2HG1 VAL 115 -22.371 13.234 26.326 888 3HG1 VAL 115 3HG1 VAL 115 -21.238 14.150 27.323 889 1HG2 VAL 115 1HG2 VAL 115 -21.753 16.432 28.020 890 2HG2 VAL 115 2HG2 VAL 115 -23.236 17.221 27.489 891 3HG2 VAL 115 3HG2 VAL 115 -21.926 16.935 26.339 892 H ILE 116 H ILE 116 -26.320 14.370 26.192 893 HA ILE 116 HA ILE 116 -27.557 16.981 26.518 894 HB ILE 116 HB ILE 116 -28.836 14.242 26.133 895 1HG1 ILE 116 2HG1 ILE 116 -29.847 15.323 24.070 896 2HG1 ILE 116 1HG1 ILE 116 -28.787 16.690 24.338 897 1HG2 ILE 116 1HG2 ILE 116 -30.180 15.502 27.676 898 2HG2 ILE 116 2HG2 ILE 116 -31.006 15.382 26.119 899 3HG2 ILE 116 3HG2 ILE 116 -30.205 16.883 26.577 900 1HD1 ILE 116 1HD1 ILE 116 -27.961 13.870 23.731 901 2HD1 ILE 116 2HD1 ILE 116 -26.852 15.208 24.022 902 3HD1 ILE 116 3HD1 ILE 116 -27.917 15.231 22.613 903 H LEU 117 H LEU 117 -27.442 17.664 28.473 904 HA LEU 117 HA LEU 117 -28.407 16.063 30.649 905 1HB LEU 117 2HB LEU 117 -25.878 15.658 30.412 906 2HB LEU 117 1HB LEU 117 -25.651 17.349 30.756 907 HG LEU 117 HG LEU 117 -25.143 15.968 32.700 908 1HD1 LEU 117 1HD1 LEU 117 -26.531 16.995 34.412 909 2HD1 LEU 117 2HD1 LEU 117 -27.643 17.568 33.164 910 3HD1 LEU 117 3HD1 LEU 117 -25.987 18.161 33.209 911 1HD2 LEU 117 1HD2 LEU 117 -26.552 14.065 32.220 912 2HD2 LEU 117 2HD2 LEU 117 -27.998 15.026 32.536 913 3HD2 LEU 117 3HD2 LEU 117 -26.875 14.669 33.844 Start of MODEL 4 1 H SER 2 H SER 2 -4.404 -14.452 13.582 2 HA SER 2 HA SER 2 -4.603 -15.930 11.080 3 1HB SER 2 2HB SER 2 -5.236 -16.950 13.858 4 2HB SER 2 1HB SER 2 -5.500 -17.827 12.348 5 HG SER 2 HG SER 2 -3.236 -17.602 11.980 6 H SER 3 H SER 3 -6.388 -15.188 10.110 7 HA SER 3 HA SER 3 -8.629 -14.462 11.824 8 1HB SER 3 2HB SER 3 -7.335 -12.416 11.334 9 2HB SER 3 1HB SER 3 -7.519 -12.723 9.611 10 HG SER 3 HG SER 3 -9.469 -12.009 9.673 11 H ASN 4 H ASN 4 -10.320 -15.610 11.147 12 HA ASN 4 HA ASN 4 -10.467 -16.601 8.452 13 1HB ASN 4 2HB ASN 4 -12.521 -16.654 10.684 14 2HB ASN 4 1HB ASN 4 -12.771 -17.373 9.099 15 1HD2 ASN 4 1HD2 ASN 4 -11.646 -19.245 8.565 16 2HD2 ASN 4 2HD2 ASN 4 -10.878 -20.221 9.751 17 H VAL 5 H VAL 5 -11.401 -15.643 6.827 18 HA VAL 5 HA VAL 5 -12.212 -12.919 7.196 19 HB VAL 5 HB VAL 5 -12.386 -14.529 4.675 20 1HG1 VAL 5 1HG1 VAL 5 -11.992 -12.371 3.577 21 2HG1 VAL 5 2HG1 VAL 5 -11.908 -11.598 5.155 22 3HG1 VAL 5 3HG1 VAL 5 -13.423 -12.322 4.615 23 1HG2 VAL 5 1HG2 VAL 5 -10.184 -14.854 5.616 24 2HG2 VAL 5 2HG2 VAL 5 -9.921 -13.093 5.654 25 3HG2 VAL 5 3HG2 VAL 5 -10.169 -13.947 4.118 26 HA PRO 6 HA PRO 6 -16.541 -14.252 7.576 27 1HB PRO 6 2HB PRO 6 -17.212 -11.436 7.500 28 2HB PRO 6 1HB PRO 6 -17.387 -12.563 8.838 29 1HG PRO 6 2HG PRO 6 -15.581 -10.499 8.761 30 2HG PRO 6 1HG PRO 6 -15.385 -11.943 9.761 31 1HD PRO 6 2HD PRO 6 -14.034 -11.182 7.237 32 2HD PRO 6 1HD PRO 6 -13.470 -12.193 8.580 33 H ALA 7 H ALA 7 -18.324 -14.276 6.107 34 HA ALA 7 HA ALA 7 -17.693 -13.364 3.518 35 1HB ALA 7 1HB ALA 7 -20.189 -14.694 4.560 36 2HB ALA 7 2HB ALA 7 -18.817 -15.502 3.783 37 3HB ALA 7 3HB ALA 7 -19.822 -14.381 2.861 38 H ASP 8 H ASP 8 -17.470 -11.331 4.203 39 HA ASP 8 HA ASP 8 -19.556 -9.516 3.552 40 1HB ASP 8 2HB ASP 8 -20.260 -9.918 5.869 41 2HB ASP 8 1HB ASP 8 -18.623 -9.631 6.440 42 H MET 9 H MET 9 -16.418 -10.348 4.764 43 HA MET 9 HA MET 9 -15.279 -7.798 3.825 44 1HB MET 9 2HB MET 9 -14.155 -9.817 5.776 45 2HB MET 9 1HB MET 9 -13.360 -8.343 5.279 46 1HG MET 9 2HG MET 9 -15.944 -8.499 6.803 47 2HG MET 9 1HG MET 9 -14.371 -8.209 7.520 48 1HE MET 9 1HE MET 9 -12.943 -6.274 5.486 49 2HE MET 9 2HE MET 9 -12.971 -6.017 7.226 50 3HE MET 9 3HE MET 9 -13.405 -4.702 6.134 51 H ILE 10 H ILE 10 -13.211 -8.035 2.717 52 HA ILE 10 HA ILE 10 -12.712 -10.731 1.788 53 HB ILE 10 HB ILE 10 -11.823 -9.731 -0.379 54 1HG1 ILE 10 2HG1 ILE 10 -13.026 -7.518 -1.009 55 2HG1 ILE 10 1HG1 ILE 10 -13.073 -7.276 0.733 56 1HG2 ILE 10 1HG2 ILE 10 -13.937 -9.397 -1.455 57 2HG2 ILE 10 2HG2 ILE 10 -14.741 -9.390 0.120 58 3HG2 ILE 10 3HG2 ILE 10 -13.899 -10.852 -0.451 59 1HD1 ILE 10 1HD1 ILE 10 -10.601 -7.420 0.761 60 2HD1 ILE 10 2HD1 ILE 10 -11.236 -6.130 -0.299 61 3HD1 ILE 10 3HD1 ILE 10 -10.683 -7.637 -1.003 62 H ASN 11 H ASN 11 -10.552 -11.416 1.712 63 HA ASN 11 HA ASN 11 -8.869 -9.762 3.449 64 1HB ASN 11 2HB ASN 11 -9.343 -12.212 3.903 65 2HB ASN 11 1HB ASN 11 -8.368 -12.603 2.525 66 1HD2 ASN 11 1HD2 ASN 11 -6.427 -10.410 3.180 67 2HD2 ASN 11 2HD2 ASN 11 -5.500 -11.035 4.497 68 H LEU 12 H LEU 12 -7.582 -8.428 2.442 69 HA LEU 12 HA LEU 12 -6.659 -9.204 -0.213 70 1HB LEU 12 2HB LEU 12 -8.199 -7.444 -0.376 71 2HB LEU 12 1HB LEU 12 -7.457 -6.568 0.939 72 HG LEU 12 HG LEU 12 -5.500 -6.144 -0.466 73 1HD1 LEU 12 1HD1 LEU 12 -7.059 -7.492 -2.662 74 2HD1 LEU 12 2HD1 LEU 12 -5.527 -8.019 -1.907 75 3HD1 LEU 12 3HD1 LEU 12 -5.573 -6.547 -2.848 76 1HD2 LEU 12 1HD2 LEU 12 -7.216 -4.515 -0.322 77 2HD2 LEU 12 2HD2 LEU 12 -8.152 -5.333 -1.566 78 3HD2 LEU 12 3HD2 LEU 12 -6.623 -4.554 -1.989 79 H ARG 13 H ARG 13 -4.605 -9.284 -0.537 80 HA ARG 13 HA ARG 13 -2.796 -8.006 1.370 81 1HB ARG 13 2HB ARG 13 -2.594 -10.484 1.143 82 2HB ARG 13 1HB ARG 13 -2.265 -10.252 -0.552 83 1HG ARG 13 2HG ARG 13 -0.199 -9.254 -0.165 84 2HG ARG 13 1HG ARG 13 -0.556 -8.975 1.541 85 1HD ARG 13 2HD ARG 13 0.953 -10.836 1.287 86 2HD ARG 13 1HD ARG 13 -0.614 -11.346 1.930 87 HE ARG 13 HE ARG 13 0.225 -11.722 -0.866 88 1HH1 ARG 13 1HH1 ARG 13 -1.616 -12.857 1.976 89 2HH1 ARG 13 2HH1 ARG 13 -1.898 -14.393 1.331 90 1HH2 ARG 13 1HH2 ARG 13 -0.200 -13.868 -1.741 91 2HH2 ARG 13 2HH2 ARG 13 -1.088 -14.981 -0.824 92 H LEU 14 H LEU 14 -1.892 -6.339 0.700 93 HA LEU 14 HA LEU 14 -1.813 -5.575 -2.133 94 1HB LEU 14 2HB LEU 14 -1.337 -3.785 0.360 95 2HB LEU 14 1HB LEU 14 -1.338 -3.251 -1.294 96 HG LEU 14 HG LEU 14 -3.253 -2.570 -0.212 97 1HD1 LEU 14 1HD1 LEU 14 -3.470 -2.995 -2.531 98 2HD1 LEU 14 2HD1 LEU 14 -4.985 -3.359 -1.713 99 3HD1 LEU 14 3HD1 LEU 14 -3.920 -4.674 -2.236 100 1HD2 LEU 14 1HD2 LEU 14 -3.600 -4.210 1.521 101 2HD2 LEU 14 2HD2 LEU 14 -3.855 -5.452 0.309 102 3HD2 LEU 14 3HD2 LEU 14 -5.032 -4.141 0.473 103 H ILE 15 H ILE 15 0.097 -5.843 -3.205 104 HA ILE 15 HA ILE 15 2.465 -6.109 -1.518 105 HB ILE 15 HB ILE 15 2.244 -6.883 -4.441 106 1HG1 ILE 15 2HG1 ILE 15 1.931 -8.606 -1.944 107 2HG1 ILE 15 1HG1 ILE 15 0.761 -8.306 -3.198 108 1HG2 ILE 15 1HG2 ILE 15 4.506 -6.382 -3.705 109 2HG2 ILE 15 2HG2 ILE 15 4.347 -8.127 -3.951 110 3HG2 ILE 15 3HG2 ILE 15 4.313 -7.448 -2.320 111 1HD1 ILE 15 1HD1 ILE 15 2.074 -9.502 -4.828 112 2HD1 ILE 15 2HD1 ILE 15 1.770 -10.519 -3.419 113 3HD1 ILE 15 3HD1 ILE 15 3.348 -9.768 -3.641 114 H LEU 16 H LEU 16 3.919 -4.649 -1.525 115 HA LEU 16 HA LEU 16 3.615 -2.293 -3.172 116 1HB LEU 16 2HB LEU 16 5.567 -2.957 -0.959 117 2HB LEU 16 1HB LEU 16 5.591 -1.452 -1.837 118 HG LEU 16 HG LEU 16 3.315 -0.939 -0.930 119 1HD1 LEU 16 1HD1 LEU 16 3.735 -3.372 0.789 120 2HD1 LEU 16 2HD1 LEU 16 2.504 -3.167 -0.458 121 3HD1 LEU 16 3HD1 LEU 16 2.462 -2.166 0.994 122 1HD2 LEU 16 1HD2 LEU 16 5.285 -0.009 0.112 123 2HD2 LEU 16 2HD2 LEU 16 5.471 -1.446 1.112 124 3HD2 LEU 16 3HD2 LEU 16 4.074 -0.393 1.332 125 H VAL 17 H VAL 17 5.310 -1.416 -4.451 126 HA VAL 17 HA VAL 17 6.629 -3.252 -6.118 127 HB VAL 17 HB VAL 17 7.784 -1.310 -7.128 128 1HG1 VAL 17 1HG1 VAL 17 5.771 -0.126 -7.895 129 2HG1 VAL 17 2HG1 VAL 17 4.855 -0.881 -6.591 130 3HG1 VAL 17 3HG1 VAL 17 5.544 -1.876 -7.868 131 1HG2 VAL 17 1HG2 VAL 17 6.441 0.284 -4.940 132 2HG2 VAL 17 2HG2 VAL 17 7.295 0.967 -6.320 133 3HG2 VAL 17 3HG2 VAL 17 8.175 0.021 -5.116 134 H SER 18 H SER 18 7.576 -1.922 -3.141 135 HA SER 18 HA SER 18 10.412 -2.385 -3.429 136 1HB SER 18 2HB SER 18 8.732 -1.917 -0.964 137 2HB SER 18 1HB SER 18 10.491 -1.758 -1.079 138 HG SER 18 HG SER 18 10.068 -0.080 -2.666 139 H GLY 19 H GLY 19 7.896 -4.479 -3.337 140 1HA GLY 19 2HA GLY 19 7.927 -6.754 -3.132 141 2HA GLY 19 1HA GLY 19 9.565 -6.667 -2.500 142 H LYS 20 H LYS 20 7.416 -4.593 -1.003 143 HA LYS 20 HA LYS 20 7.456 -6.186 1.441 144 1HB LYS 20 2HB LYS 20 6.213 -3.468 0.963 145 2HB LYS 20 1HB LYS 20 6.584 -4.198 2.509 146 1HG LYS 20 2HG LYS 20 8.599 -3.277 0.473 147 2HG LYS 20 1HG LYS 20 8.149 -2.400 1.934 148 1HD LYS 20 2HD LYS 20 9.009 -4.382 3.244 149 2HD LYS 20 1HD LYS 20 9.540 -5.043 1.685 150 1HE LYS 20 2HE LYS 20 11.002 -3.198 1.301 151 2HE LYS 20 1HE LYS 20 10.414 -2.363 2.734 152 1HZ LYS 20 1HZ LYS 20 12.541 -3.412 3.132 153 2HZ LYS 20 2HZ LYS 20 11.934 -4.927 2.735 154 3HZ LYS 20 3HZ LYS 20 11.360 -4.112 4.098 155 H THR 21 H THR 21 5.582 -7.221 2.189 156 HA THR 21 HA THR 21 3.235 -6.808 0.503 157 HB THR 21 HB THR 21 2.525 -9.039 1.178 158 HG1 THR 21 1HG THR 21 3.996 -8.948 3.116 159 1HG2 THR 21 1HG2 THR 21 3.724 -8.798 -0.914 160 2HG2 THR 21 2HG2 THR 21 4.162 -10.328 -0.153 161 3HG2 THR 21 3HG2 THR 21 5.266 -8.951 -0.075 162 H LYS 22 H LYS 22 1.463 -6.057 1.460 163 HA LYS 22 HA LYS 22 1.419 -6.121 4.397 164 1HB LYS 22 2HB LYS 22 1.877 -3.850 3.409 165 2HB LYS 22 1HB LYS 22 0.348 -3.957 2.572 166 1HG LYS 22 2HG LYS 22 0.192 -2.564 4.569 167 2HG LYS 22 1HG LYS 22 -0.855 -3.980 4.669 168 1HD LYS 22 2HD LYS 22 0.312 -3.563 6.795 169 2HD LYS 22 1HD LYS 22 0.769 -5.108 6.088 170 1HE LYS 22 2HE LYS 22 2.836 -4.084 5.221 171 2HE LYS 22 1HE LYS 22 2.361 -2.549 5.952 172 1HZ LYS 22 1HZ LYS 22 2.841 -5.068 7.439 173 2HZ LYS 22 2HZ LYS 22 2.532 -3.538 8.121 174 3HZ LYS 22 3HZ LYS 22 3.950 -3.813 7.273 175 H GLU 23 H GLU 23 -0.560 -6.823 5.272 176 HA GLU 23 HA GLU 23 -2.699 -7.312 3.338 177 1HB GLU 23 2HB GLU 23 -1.174 -9.308 3.685 178 2HB GLU 23 1HB GLU 23 -1.771 -9.354 5.336 179 1HG GLU 23 2HG GLU 23 -4.112 -9.536 4.259 180 2HG GLU 23 1HG GLU 23 -3.244 -9.753 2.796 181 H PHE 24 H PHE 24 -4.624 -6.811 4.136 182 HA PHE 24 HA PHE 24 -5.186 -6.895 6.984 183 1HB PHE 24 2HB PHE 24 -5.598 -4.432 5.277 184 2HB PHE 24 1HB PHE 24 -6.392 -4.687 6.812 185 HD1 PHE 24 1HD PHE 24 -3.499 -3.463 5.136 186 HD2 PHE 24 2HD PHE 24 -4.933 -4.852 8.885 187 HE1 PHE 24 1HE PHE 24 -1.631 -2.340 6.263 188 HE2 PHE 24 2HE PHE 24 -3.064 -3.737 10.020 189 HZ PHE 24 HZ PHE 24 -1.408 -2.474 8.708 190 H LEU 25 H LEU 25 -7.511 -6.905 7.358 191 HA LEU 25 HA LEU 25 -8.993 -7.913 5.096 192 1HB LEU 25 2HB LEU 25 -9.957 -7.082 7.846 193 2HB LEU 25 1HB LEU 25 -10.953 -7.832 6.627 194 HG LEU 25 HG LEU 25 -8.657 -9.112 8.107 195 1HD1 LEU 25 1HD1 LEU 25 -10.681 -8.822 9.440 196 2HD1 LEU 25 2HD1 LEU 25 -10.431 -10.523 9.053 197 3HD1 LEU 25 3HD1 LEU 25 -11.636 -9.583 8.173 198 1HD2 LEU 25 1HD2 LEU 25 -9.332 -11.170 6.953 199 2HD2 LEU 25 2HD2 LEU 25 -8.769 -9.946 5.815 200 3HD2 LEU 25 3HD2 LEU 25 -10.498 -10.247 6.005 201 H PHE 26 H PHE 26 -10.005 -6.658 3.697 202 HA PHE 26 HA PHE 26 -10.695 -3.961 4.531 203 1HB PHE 26 2HB PHE 26 -9.523 -4.831 1.861 204 2HB PHE 26 1HB PHE 26 -10.320 -3.284 2.094 205 HD1 PHE 26 1HD PHE 26 -7.136 -5.125 2.436 206 HD2 PHE 26 2HD PHE 26 -9.257 -1.613 3.694 207 HE1 PHE 26 1HE PHE 26 -5.070 -4.106 3.089 208 HE2 PHE 26 2HE PHE 26 -7.119 -0.597 4.354 209 HZ PHE 26 HZ PHE 26 -4.998 -1.861 4.019 210 H SER 27 H SER 27 -12.529 -3.103 3.109 211 HA SER 27 HA SER 27 -14.413 -5.288 2.996 212 1HB SER 27 2HB SER 27 -16.128 -3.510 2.742 213 2HB SER 27 1HB SER 27 -15.116 -3.220 4.153 214 HG SER 27 HG SER 27 -13.850 -1.837 2.622 215 HA PRO 28 HA PRO 28 -14.164 -5.659 -1.407 216 1HB PRO 28 2HB PRO 28 -16.817 -6.191 -1.992 217 2HB PRO 28 1HB PRO 28 -15.662 -7.370 -1.334 218 1HG PRO 28 2HG PRO 28 -17.667 -5.715 0.163 219 2HG PRO 28 1HG PRO 28 -17.335 -7.451 0.289 220 1HD PRO 28 2HD PRO 28 -16.314 -5.773 2.059 221 2HD PRO 28 1HD PRO 28 -15.330 -7.112 1.409 222 H ASN 29 H ASN 29 -16.078 -3.379 0.219 223 HA ASN 29 HA ASN 29 -16.888 -1.821 -2.073 224 1HB ASN 29 2HB ASN 29 -18.310 -1.928 -0.042 225 2HB ASN 29 1HB ASN 29 -17.017 -1.185 0.889 226 1HD2 ASN 29 1HD2 ASN 29 -16.744 1.051 0.789 227 2HD2 ASN 29 2HD2 ASN 29 -17.826 2.068 -0.063 228 H ASP 30 H ASP 30 -14.119 -2.085 -0.068 229 HA ASP 30 HA ASP 30 -13.160 0.564 -0.394 230 1HB ASP 30 2HB ASP 30 -11.704 -1.981 0.360 231 2HB ASP 30 1HB ASP 30 -10.857 -0.466 0.081 232 H SER 31 H SER 31 -11.377 1.227 -1.658 233 HA SER 31 HA SER 31 -11.467 -0.061 -4.269 234 1HB SER 31 2HB SER 31 -10.785 2.763 -3.488 235 2HB SER 31 1HB SER 31 -10.827 2.136 -5.135 236 HG SER 31 HG SER 31 -13.083 1.812 -3.501 237 H ALA 32 H ALA 32 -9.676 -0.871 -5.134 238 HA ALA 32 HA ALA 32 -7.531 -1.773 -3.648 239 1HB ALA 32 1HB ALA 32 -6.558 -2.415 -5.742 240 2HB ALA 32 2HB ALA 32 -7.573 -1.216 -6.555 241 3HB ALA 32 3HB ALA 32 -8.323 -2.632 -5.818 242 H SER 33 H SER 33 -7.375 1.100 -5.863 243 HA SER 33 HA SER 33 -4.599 1.409 -5.244 244 1HB SER 33 2HB SER 33 -6.404 3.394 -6.655 245 2HB SER 33 1HB SER 33 -4.640 3.294 -6.702 246 HG SER 33 HG SER 33 -5.767 2.423 -8.468 247 H ASP 34 H ASP 34 -7.582 2.687 -4.068 248 HA ASP 34 HA ASP 34 -6.616 4.836 -2.484 249 1HB ASP 34 2HB ASP 34 -9.041 4.428 -2.862 250 2HB ASP 34 1HB ASP 34 -8.919 2.924 -1.964 251 H ILE 35 H ILE 35 -7.135 1.432 -1.917 252 HA ILE 35 HA ILE 35 -6.099 1.311 0.683 253 HB ILE 35 HB ILE 35 -6.186 -0.882 -1.392 254 1HG1 ILE 35 2HG1 ILE 35 -8.143 -0.197 0.806 255 2HG1 ILE 35 1HG1 ILE 35 -8.405 0.082 -0.916 256 1HG2 ILE 35 1HG2 ILE 35 -5.936 -0.940 1.594 257 2HG2 ILE 35 2HG2 ILE 35 -4.661 -1.319 0.443 258 3HG2 ILE 35 3HG2 ILE 35 -6.095 -2.357 0.557 259 1HD1 ILE 35 1HD1 ILE 35 -9.541 -1.943 -0.197 260 2HD1 ILE 35 2HD1 ILE 35 -8.012 -2.564 0.424 261 3HD1 ILE 35 3HD1 ILE 35 -8.213 -2.329 -1.303 262 H ALA 36 H ALA 36 -4.582 0.709 -2.490 263 HA ALA 36 HA ALA 36 -2.052 0.013 -1.799 264 1HB ALA 36 1HB ALA 36 -2.851 0.238 -4.111 265 2HB ALA 36 2HB ALA 36 -1.301 1.052 -3.858 266 3HB ALA 36 3HB ALA 36 -2.789 1.991 -3.945 267 H LYS 37 H LYS 37 -3.272 3.339 -2.055 268 HA LYS 37 HA LYS 37 -0.846 4.608 -1.314 269 1HB LYS 37 2HB LYS 37 -3.207 5.466 -2.303 270 2HB LYS 37 1HB LYS 37 -3.478 5.829 -0.611 271 1HG LYS 37 2HG LYS 37 -1.255 6.915 -2.336 272 2HG LYS 37 1HG LYS 37 -2.694 7.786 -1.851 273 1HD LYS 37 2HD LYS 37 -1.953 7.662 0.493 274 2HD LYS 37 1HD LYS 37 -0.508 6.779 -0.019 275 1HE LYS 37 2HE LYS 37 0.065 8.732 -1.493 276 2HE LYS 37 1HE LYS 37 -1.289 9.590 -0.782 277 1HZ LYS 37 1HZ LYS 37 -0.236 9.516 1.345 278 2HZ LYS 37 2HZ LYS 37 0.915 10.090 0.224 279 3HZ LYS 37 3HZ LYS 37 0.963 8.489 0.766 280 H HIS 38 H HIS 38 -3.624 3.429 0.444 281 HA HIS 38 HA HIS 38 -3.165 4.353 3.040 282 1HB HIS 38 2HB HIS 38 -5.270 3.340 2.236 283 2HB HIS 38 1HB HIS 38 -4.480 1.784 2.131 284 HD1 HIS 38 1HD HIS 38 -3.479 1.014 4.770 285 HD2 HIS 38 2HD HIS 38 -6.735 3.578 4.416 286 HE1 HIS 38 1HE HIS 38 -4.678 0.867 6.930 287 HE2 HIS 38 2HE HIS 38 -6.610 2.467 6.738 288 H VAL 39 H VAL 39 -2.417 1.171 1.572 289 HA VAL 39 HA VAL 39 -1.001 0.185 3.824 290 HB VAL 39 HB VAL 39 -0.411 -1.747 2.396 291 1HG1 VAL 39 1HG1 VAL 39 -2.767 -2.566 2.154 292 2HG1 VAL 39 2HG1 VAL 39 -3.353 -0.939 2.342 293 3HG1 VAL 39 3HG1 VAL 39 -2.536 -1.726 3.675 294 1HG2 VAL 39 1HG2 VAL 39 -2.012 -0.251 0.384 295 2HG2 VAL 39 2HG2 VAL 39 -1.415 -1.895 0.200 296 3HG2 VAL 39 3HG2 VAL 39 -0.270 -0.530 0.259 297 H TYR 40 H TYR 40 0.007 1.791 0.877 298 HA TYR 40 HA TYR 40 2.765 1.355 1.232 299 1HB TYR 40 2HB TYR 40 1.176 3.278 -0.365 300 2HB TYR 40 1HB TYR 40 2.842 3.716 -0.026 301 HD1 TYR 40 1HD TYR 40 0.726 1.056 -1.561 302 HD2 TYR 40 2HD TYR 40 4.593 2.783 -1.237 303 HE1 TYR 40 1HE TYR 40 1.501 -0.331 -3.437 304 HE2 TYR 40 2HE TYR 40 5.375 1.405 -3.103 305 HH TYR 40 HH TYR 40 3.235 -0.421 -5.086 306 H ASP 41 H ASP 41 0.774 4.131 2.331 307 HA ASP 41 HA ASP 41 2.818 4.426 4.354 308 1HB ASP 41 2HB ASP 41 2.927 6.903 4.198 309 2HB ASP 41 1HB ASP 41 3.516 6.113 2.755 310 H ASN 42 H ASN 42 -0.148 6.238 3.614 311 HA ASN 42 HA ASN 42 -1.288 5.376 6.151 312 1HB ASN 42 2HB ASN 42 0.203 7.532 6.389 313 2HB ASN 42 1HB ASN 42 -1.078 8.319 5.483 314 1HD2 ASN 42 1HD2 ASN 42 -0.161 8.879 8.130 315 2HD2 ASN 42 2HD2 ASN 42 -1.491 8.686 9.199 316 H TRP 43 H TRP 43 -3.625 6.573 6.126 317 HA TRP 43 HA TRP 43 -4.688 5.703 3.648 318 1HB TRP 43 2HB TRP 43 -6.913 6.245 4.502 319 2HB TRP 43 1HB TRP 43 -5.991 5.349 5.687 320 HD1 TRP 43 HD TRP 43 -4.925 7.020 7.735 321 HE1 TRP 43 1HE TRP 43 -6.118 8.969 8.914 322 HE3 TRP 43 3HE TRP 43 -8.547 7.971 4.260 323 HZ2 TRP 43 2HZ TRP 43 -8.302 10.674 8.438 324 HZ3 TRP 43 3HZ TRP 43 -10.159 9.776 4.702 325 HH2 TRP 43 HH TRP 43 -10.039 11.101 6.750 326 HA PRO 44 HA PRO 44 -4.268 9.360 1.277 327 1HB PRO 44 2HB PRO 44 -5.941 8.671 -0.741 328 2HB PRO 44 1HB PRO 44 -4.320 7.994 -0.564 329 1HG PRO 44 2HG PRO 44 -6.953 6.816 0.263 330 2HG PRO 44 1HG PRO 44 -5.596 6.032 -0.561 331 1HD PRO 44 2HD PRO 44 -6.050 5.749 2.050 332 2HD PRO 44 1HD PRO 44 -4.402 5.809 1.394 333 H MET 45 H MET 45 -5.258 11.253 1.238 334 HA MET 45 HA MET 45 -8.163 11.346 1.708 335 1HB MET 45 2HB MET 45 -6.076 13.227 2.857 336 2HB MET 45 1HB MET 45 -7.814 13.378 3.062 337 1HG MET 45 2HG MET 45 -7.843 11.308 4.343 338 2HG MET 45 1HG MET 45 -6.109 11.129 4.097 339 1HE MET 45 1HE MET 45 -5.100 14.177 4.399 340 2HE MET 45 2HE MET 45 -4.296 12.783 5.110 341 3HE MET 45 3HE MET 45 -4.683 14.180 6.115 342 H ASP 46 H ASP 46 -5.685 13.774 1.235 343 HA ASP 46 HA ASP 46 -5.685 14.101 -1.464 344 1HB ASP 46 2HB ASP 46 -8.072 14.912 -1.194 345 2HB ASP 46 1HB ASP 46 -7.485 16.159 -0.102 346 H TRP 47 H TRP 47 -3.581 14.281 -0.992 347 HA TRP 47 HA TRP 47 -2.767 16.637 0.530 348 1HB TRP 47 2HB TRP 47 -2.614 14.524 1.884 349 2HB TRP 47 1HB TRP 47 -1.545 13.857 0.662 350 HD1 TRP 47 HD TRP 47 -1.426 17.235 2.592 351 HE1 TRP 47 1HE TRP 47 0.898 17.454 3.655 352 HE3 TRP 47 3HE TRP 47 0.548 12.752 1.125 353 HZ2 TRP 47 2HZ TRP 47 3.263 15.909 3.868 354 HZ3 TRP 47 3HZ TRP 47 2.842 12.198 1.813 355 HH2 TRP 47 HH TRP 47 4.165 13.745 3.154 356 H GLU 48 H GLU 48 -0.063 16.526 0.059 357 HA GLU 48 HA GLU 48 -0.024 17.141 -2.766 358 1HB GLU 48 2HB GLU 48 2.110 17.476 -0.666 359 2HB GLU 48 1HB GLU 48 2.209 18.060 -2.317 360 1HG GLU 48 2HG GLU 48 0.286 19.529 -1.895 361 2HG GLU 48 1HG GLU 48 0.227 18.948 -0.233 362 H GLU 49 H GLU 49 0.792 14.469 -0.832 363 HA GLU 49 HA GLU 49 2.097 12.674 -0.985 364 1HB GLU 49 2HB GLU 49 1.453 13.069 -3.911 365 2HB GLU 49 1HB GLU 49 2.450 11.730 -3.380 366 1HG GLU 49 2HG GLU 49 0.142 11.038 -3.715 367 2HG GLU 49 1HG GLU 49 0.615 10.874 -2.034 368 H GLU 50 H GLU 50 3.445 13.739 -3.991 369 HA GLU 50 HA GLU 50 6.085 13.812 -2.811 370 1HB GLU 50 2HB GLU 50 5.733 12.791 -5.004 371 2HB GLU 50 1HB GLU 50 5.124 14.309 -5.636 372 1HG GLU 50 2HG GLU 50 7.392 13.915 -6.374 373 2HG GLU 50 1HG GLU 50 7.337 15.323 -5.314 374 H GLN 51 H GLN 51 3.961 15.970 -4.630 375 HA GLN 51 HA GLN 51 4.544 18.242 -3.091 376 1HB GLN 51 2HB GLN 51 5.804 19.590 -4.788 377 2HB GLN 51 1HB GLN 51 6.723 18.283 -4.065 378 1HG GLN 51 2HG GLN 51 6.375 16.935 -6.090 379 2HG GLN 51 1HG GLN 51 5.442 18.241 -6.798 380 1HE2 GLN 51 1HE2 GLN 51 7.940 16.985 -7.726 381 2HE2 GLN 51 2HE2 GLN 51 9.061 18.282 -7.841 382 H VAL 52 H VAL 52 3.671 17.372 -6.446 383 HA VAL 52 HA VAL 52 1.765 19.579 -6.378 384 HB VAL 52 HB VAL 52 1.580 19.300 -8.834 385 1HG1 VAL 52 1HG1 VAL 52 3.830 20.147 -9.365 386 2HG1 VAL 52 2HG1 VAL 52 4.387 19.639 -7.770 387 3HG1 VAL 52 3HG1 VAL 52 3.157 20.892 -7.919 388 1HG2 VAL 52 1HG2 VAL 52 3.196 17.863 -10.009 389 2HG2 VAL 52 2HG2 VAL 52 2.107 16.913 -9.000 390 3HG2 VAL 52 3HG2 VAL 52 3.758 17.230 -8.461 391 H SER 53 H SER 53 1.450 16.694 -5.268 392 HA SER 53 HA SER 53 -0.148 15.167 -4.968 393 1HB SER 53 2HB SER 53 -1.957 17.124 -6.430 394 2HB SER 53 1HB SER 53 -2.503 15.749 -5.466 395 HG SER 53 HG SER 53 -1.720 16.702 -3.651 396 H SER 54 H SER 54 0.128 13.315 -6.006 397 HA SER 54 HA SER 54 -0.110 13.349 -8.916 398 1HB SER 54 2HB SER 54 1.432 11.476 -7.123 399 2HB SER 54 1HB SER 54 1.399 11.423 -8.888 400 HG SER 54 HG SER 54 3.038 12.715 -8.707 401 HA PRO 55 HA PRO 55 -3.495 10.545 -7.839 402 1HB PRO 55 2HB PRO 55 -5.089 11.446 -9.907 403 2HB PRO 55 1HB PRO 55 -5.209 11.981 -8.226 404 1HG PRO 55 2HG PRO 55 -4.406 13.552 -10.464 405 2HG PRO 55 1HG PRO 55 -4.299 14.014 -8.763 406 1HD PRO 55 2HD PRO 55 -2.188 13.003 -10.581 407 2HD PRO 55 1HD PRO 55 -2.055 14.026 -9.130 408 H ASN 56 H ASN 56 -1.877 11.135 -10.802 409 HA ASN 56 HA ASN 56 -3.107 9.187 -12.478 410 1HB ASN 56 2HB ASN 56 -0.322 10.359 -12.688 411 2HB ASN 56 1HB ASN 56 -1.174 9.499 -13.962 412 1HD2 ASN 56 1HD2 ASN 56 -0.091 12.213 -13.909 413 2HD2 ASN 56 2HD2 ASN 56 -1.434 13.241 -14.269 414 H ILE 57 H ILE 57 -0.735 9.030 -10.005 415 HA ILE 57 HA ILE 57 0.501 6.675 -10.918 416 HB ILE 57 HB ILE 57 1.805 6.824 -8.857 417 1HG1 ILE 57 2HG1 ILE 57 1.460 8.978 -7.449 418 2HG1 ILE 57 1HG1 ILE 57 -0.133 9.060 -8.177 419 1HG2 ILE 57 1HG2 ILE 57 2.421 8.123 -10.825 420 2HG2 ILE 57 2HG2 ILE 57 2.813 9.009 -9.345 421 3HG2 ILE 57 3HG2 ILE 57 1.380 9.439 -10.279 422 1HD1 ILE 57 1HD1 ILE 57 -0.251 8.108 -5.962 423 2HD1 ILE 57 2HD1 ILE 57 0.916 6.869 -6.410 424 3HD1 ILE 57 3HD1 ILE 57 -0.676 6.880 -7.161 425 H LEU 58 H LEU 58 -2.376 7.274 -9.153 426 HA LEU 58 HA LEU 58 -2.326 4.871 -7.638 427 1HB LEU 58 2HB LEU 58 -4.661 6.602 -8.476 428 2HB LEU 58 1HB LEU 58 -4.875 5.140 -7.553 429 HG LEU 58 HG LEU 58 -3.438 6.225 -5.756 430 1HD1 LEU 58 1HD1 LEU 58 -3.307 8.644 -5.735 431 2HD1 LEU 58 2HD1 LEU 58 -3.991 8.684 -7.362 432 3HD1 LEU 58 3HD1 LEU 58 -2.404 7.960 -7.096 433 1HD2 LEU 58 1HD2 LEU 58 -5.836 6.008 -5.539 434 2HD2 LEU 58 2HD2 LEU 58 -6.079 7.487 -6.464 435 3HD2 LEU 58 3HD2 LEU 58 -5.302 7.554 -4.880 436 H ARG 59 H ARG 59 -1.939 3.092 -8.681 437 HA ARG 59 HA ARG 59 -3.862 2.239 -10.677 438 1HB ARG 59 2HB ARG 59 -0.876 2.064 -10.985 439 2HB ARG 59 1HB ARG 59 -2.037 1.226 -12.010 440 1HG ARG 59 2HG ARG 59 -1.690 4.233 -11.801 441 2HG ARG 59 1HG ARG 59 -1.163 3.155 -13.111 442 1HD ARG 59 2HD ARG 59 -3.341 2.644 -13.738 443 2HD ARG 59 1HD ARG 59 -4.019 3.353 -12.275 444 HE ARG 59 HE ARG 59 -2.946 5.479 -13.295 445 1HH1 ARG 59 1HH1 ARG 59 -4.645 2.927 -15.020 446 2HH1 ARG 59 2HH1 ARG 59 -5.362 3.952 -16.163 447 1HH2 ARG 59 1HH2 ARG 59 -3.965 6.931 -14.854 448 2HH2 ARG 59 2HH2 ARG 59 -4.968 6.300 -16.056 449 H LEU 60 H LEU 60 -3.886 -0.036 -10.909 450 HA LEU 60 HA LEU 60 -2.803 -1.440 -8.612 451 1HB LEU 60 2HB LEU 60 -5.029 -2.460 -8.267 452 2HB LEU 60 1HB LEU 60 -4.972 -0.741 -7.931 453 HG LEU 60 HG LEU 60 -5.848 -0.536 -10.385 454 1HD1 LEU 60 1HD1 LEU 60 -6.807 -3.295 -9.717 455 2HD1 LEU 60 2HD1 LEU 60 -5.711 -2.824 -11.021 456 3HD1 LEU 60 3HD1 LEU 60 -7.388 -2.264 -11.028 457 1HD2 LEU 60 1HD2 LEU 60 -6.977 0.116 -8.263 458 2HD2 LEU 60 2HD2 LEU 60 -7.825 -1.472 -8.364 459 3HD2 LEU 60 3HD2 LEU 60 -7.961 -0.286 -9.649 460 H ILE 61 H ILE 61 -2.367 -3.558 -8.988 461 HA ILE 61 HA ILE 61 -2.830 -4.531 -11.696 462 HB ILE 61 HB ILE 61 -0.589 -5.059 -9.759 463 1HG1 ILE 61 2HG1 ILE 61 -0.522 -3.884 -12.509 464 2HG1 ILE 61 1HG1 ILE 61 -0.556 -2.919 -11.047 465 1HG2 ILE 61 1HG2 ILE 61 0.380 -6.493 -11.542 466 2HG2 ILE 61 2HG2 ILE 61 -1.084 -6.263 -12.501 467 3HG2 ILE 61 3HG2 ILE 61 -1.161 -7.122 -10.962 468 1HD1 ILE 61 1HD1 ILE 61 1.607 -3.965 -10.391 469 2HD1 ILE 61 2HD1 ILE 61 1.707 -3.098 -11.921 470 3HD1 ILE 61 3HD1 ILE 61 1.602 -4.860 -11.911 471 H TYR 62 H TYR 62 -4.153 -6.173 -11.756 472 HA TYR 62 HA TYR 62 -4.648 -7.595 -9.268 473 1HB TYR 62 2HB TYR 62 -6.641 -6.575 -10.355 474 2HB TYR 62 1HB TYR 62 -6.306 -7.484 -11.816 475 HD1 TYR 62 1HD TYR 62 -8.213 -8.825 -12.064 476 HD2 TYR 62 2HD TYR 62 -6.283 -8.679 -8.277 477 HE1 TYR 62 1HE TYR 62 -9.693 -10.613 -11.253 478 HE2 TYR 62 2HE TYR 62 -7.739 -10.468 -7.458 479 HH TYR 62 HH TYR 62 -9.927 -11.387 -7.963 480 H GLN 63 H GLN 63 -2.895 -8.832 -9.256 481 HA GLN 63 HA GLN 63 -1.614 -10.419 -9.459 482 1HB GLN 63 2HB GLN 63 -3.585 -11.836 -9.745 483 2HB GLN 63 1HB GLN 63 -3.471 -11.612 -11.495 484 1HG GLN 63 2HG GLN 63 -1.176 -12.213 -11.271 485 2HG GLN 63 1HG GLN 63 -1.471 -12.796 -9.676 486 1HE2 GLN 63 1HE2 GLN 63 -2.117 -13.520 -13.027 487 2HE2 GLN 63 2HE2 GLN 63 -2.819 -15.071 -12.799 488 H GLY 64 H GLY 64 -2.715 -9.892 -12.810 489 1HA GLY 64 2HA GLY 64 0.151 -9.735 -13.504 490 2HA GLY 64 1HA GLY 64 -1.065 -10.422 -14.565 491 H ARG 65 H ARG 65 -3.032 -8.425 -14.343 492 HA ARG 65 HA ARG 65 -1.539 -6.218 -15.535 493 1HB ARG 65 2HB ARG 65 -3.514 -5.839 -17.113 494 2HB ARG 65 1HB ARG 65 -2.425 -7.165 -17.444 495 1HG ARG 65 2HG ARG 65 -4.790 -7.729 -17.858 496 2HG ARG 65 1HG ARG 65 -4.058 -8.752 -16.631 497 1HD ARG 65 2HD ARG 65 -5.194 -7.545 -14.887 498 2HD ARG 65 1HD ARG 65 -5.780 -6.349 -16.038 499 HE ARG 65 HE ARG 65 -7.183 -7.985 -16.990 500 1HH1 ARG 65 1HH1 ARG 65 -5.705 -9.105 -13.935 501 2HH1 ARG 65 2HH1 ARG 65 -6.937 -10.196 -13.581 502 1HH2 ARG 65 1HH2 ARG 65 -8.898 -9.462 -16.442 503 2HH2 ARG 65 2HH2 ARG 65 -8.809 -10.401 -15.026 504 H PHE 66 H PHE 66 -2.653 -4.151 -15.841 505 HA PHE 66 HA PHE 66 -3.669 -3.256 -13.278 506 1HB PHE 66 2HB PHE 66 -3.150 -1.689 -15.836 507 2HB PHE 66 1HB PHE 66 -3.416 -0.997 -14.254 508 HD1 PHE 66 1HD PHE 66 -1.620 -0.535 -12.842 509 HD2 PHE 66 2HD PHE 66 -1.028 -3.048 -16.225 510 HE1 PHE 66 1HE PHE 66 0.802 -0.414 -12.512 511 HE2 PHE 66 2HE PHE 66 1.403 -2.928 -15.891 512 HZ PHE 66 HZ PHE 66 2.320 -1.605 -14.037 513 H LEU 67 H LEU 67 -5.800 -3.284 -12.940 514 HA LEU 67 HA LEU 67 -7.652 -3.530 -15.193 515 1HB LEU 67 2HB LEU 67 -8.251 -3.520 -12.251 516 2HB LEU 67 1HB LEU 67 -9.492 -3.552 -13.479 517 HG LEU 67 HG LEU 67 -7.395 -5.680 -13.043 518 1HD1 LEU 67 1HD1 LEU 67 -9.122 -5.573 -11.289 519 2HD1 LEU 67 2HD1 LEU 67 -9.304 -7.018 -12.264 520 3HD1 LEU 67 3HD1 LEU 67 -10.375 -5.647 -12.509 521 1HD2 LEU 67 1HD2 LEU 67 -9.731 -5.546 -14.947 522 2HD2 LEU 67 2HD2 LEU 67 -8.721 -6.955 -14.663 523 3HD2 LEU 67 3HD2 LEU 67 -8.026 -5.515 -15.402 524 H HIS 68 H HIS 68 -7.151 -0.988 -12.764 525 HA HIS 68 HA HIS 68 -8.266 1.017 -14.482 526 1HB HIS 68 2HB HIS 68 -10.305 -0.322 -13.582 527 2HB HIS 68 1HB HIS 68 -9.824 0.263 -12.000 528 HD1 HIS 68 1HD HIS 68 -11.842 1.132 -14.937 529 HD2 HIS 68 2HD HIS 68 -10.094 3.152 -11.780 530 HE1 HIS 68 1HE HIS 68 -13.035 3.315 -14.821 531 HE2 HIS 68 2HE HIS 68 -11.756 4.622 -13.093 532 H GLY 69 H GLY 69 -8.250 3.134 -13.244 533 1HA GLY 69 2HA GLY 69 -5.897 3.421 -11.784 534 2HA GLY 69 1HA GLY 69 -7.162 4.621 -11.953 535 H ASN 70 H ASN 70 -9.008 2.407 -10.615 536 HA ASN 70 HA ASN 70 -8.220 1.941 -8.048 537 1HB ASN 70 2HB ASN 70 -8.112 4.484 -7.892 538 2HB ASN 70 1HB ASN 70 -9.850 4.507 -8.174 539 1HD2 ASN 70 1HD2 ASN 70 -10.246 5.435 -6.178 540 2HD2 ASN 70 2HD2 ASN 70 -10.113 4.573 -4.705 541 H VAL 71 H VAL 71 -9.395 0.147 -8.820 542 HA VAL 71 HA VAL 71 -12.313 0.443 -8.936 543 HB VAL 71 HB VAL 71 -11.258 -0.571 -10.943 544 1HG1 VAL 71 1HG1 VAL 71 -10.321 -2.744 -9.127 545 2HG1 VAL 71 2HG1 VAL 71 -9.317 -1.600 -10.044 546 3HG1 VAL 71 3HG1 VAL 71 -10.268 -2.801 -10.887 547 1HG2 VAL 71 1HG2 VAL 71 -12.590 -2.593 -11.133 548 2HG2 VAL 71 2HG2 VAL 71 -13.508 -1.262 -10.411 549 3HG2 VAL 71 3HG2 VAL 71 -12.855 -2.557 -9.394 550 H THR 72 H THR 72 -13.644 -1.036 -7.706 551 HA THR 72 HA THR 72 -12.499 -1.481 -5.120 552 HB THR 72 HB THR 72 -14.798 -2.239 -4.523 553 HG1 THR 72 1HG THR 72 -16.336 -1.606 -6.367 554 1HG2 THR 72 1HG2 THR 72 -15.875 -0.044 -4.814 555 2HG2 THR 72 2HG2 THR 72 -14.667 0.384 -6.028 556 3HG2 THR 72 3HG2 THR 72 -14.183 0.133 -4.353 557 H LEU 73 H LEU 73 -12.651 -3.540 -3.944 558 HA LEU 73 HA LEU 73 -11.507 -5.616 -5.462 559 1HB LEU 73 2HB LEU 73 -12.649 -5.718 -2.683 560 2HB LEU 73 1HB LEU 73 -11.602 -6.914 -3.396 561 HG LEU 73 HG LEU 73 -10.223 -5.773 -2.015 562 1HD1 LEU 73 1HD1 LEU 73 -9.844 -4.448 -4.647 563 2HD1 LEU 73 2HD1 LEU 73 -9.132 -5.960 -4.082 564 3HD1 LEU 73 3HD1 LEU 73 -8.673 -4.427 -3.338 565 1HD2 LEU 73 1HD2 LEU 73 -10.067 -3.372 -1.729 566 2HD2 LEU 73 2HD2 LEU 73 -11.682 -3.968 -1.350 567 3HD2 LEU 73 3HD2 LEU 73 -11.376 -3.136 -2.876 568 H GLY 74 H GLY 74 -14.774 -4.979 -4.311 569 1HA GLY 74 2HA GLY 74 -15.913 -7.475 -4.924 570 2HA GLY 74 1HA GLY 74 -16.776 -5.936 -4.908 571 H ALA 75 H ALA 75 -15.349 -4.592 -6.880 572 HA ALA 75 HA ALA 75 -16.579 -5.552 -9.239 573 1HB ALA 75 1HB ALA 75 -14.517 -3.372 -8.882 574 2HB ALA 75 2HB ALA 75 -16.259 -3.160 -8.818 575 3HB ALA 75 3HB ALA 75 -15.483 -3.634 -10.329 576 H LEU 76 H LEU 76 -13.585 -6.259 -7.762 577 HA LEU 76 HA LEU 76 -12.151 -7.109 -10.133 578 1HB LEU 76 2HB LEU 76 -11.781 -7.673 -7.240 579 2HB LEU 76 1HB LEU 76 -10.609 -8.116 -8.474 580 HG LEU 76 HG LEU 76 -11.360 -5.359 -7.494 581 1HD1 LEU 76 1HD1 LEU 76 -10.029 -6.763 -6.013 582 2HD1 LEU 76 2HD1 LEU 76 -9.126 -5.380 -6.644 583 3HD1 LEU 76 3HD1 LEU 76 -8.857 -6.992 -7.309 584 1HD2 LEU 76 1HD2 LEU 76 -9.546 -4.597 -8.899 585 2HD2 LEU 76 2HD2 LEU 76 -10.825 -5.340 -9.865 586 3HD2 LEU 76 3HD2 LEU 76 -9.341 -6.240 -9.496 587 H LYS 77 H LYS 77 -14.774 -8.279 -8.530 588 HA LYS 77 HA LYS 77 -15.915 -10.162 -8.438 589 1HB LYS 77 2HB LYS 77 -13.881 -11.359 -10.358 590 2HB LYS 77 1HB LYS 77 -15.371 -12.139 -9.884 591 1HG LYS 77 2HG LYS 77 -15.682 -11.241 -12.080 592 2HG LYS 77 1HG LYS 77 -16.609 -10.237 -10.970 593 1HD LYS 77 2HD LYS 77 -14.774 -8.602 -10.956 594 2HD LYS 77 1HD LYS 77 -13.877 -9.592 -12.089 595 1HE LYS 77 2HE LYS 77 -15.640 -9.294 -13.755 596 2HE LYS 77 1HE LYS 77 -16.582 -8.363 -12.594 597 1HZ LYS 77 1HZ LYS 77 -13.921 -7.592 -13.664 598 2HZ LYS 77 2HZ LYS 77 -14.807 -6.742 -12.512 599 3HZ LYS 77 3HZ LYS 77 -15.404 -6.893 -14.078 600 H LEU 78 H LEU 78 -14.724 -9.757 -6.318 601 HA LEU 78 HA LEU 78 -13.420 -12.254 -5.564 602 1HB LEU 78 2HB LEU 78 -13.213 -9.495 -4.450 603 2HB LEU 78 1HB LEU 78 -13.030 -10.840 -3.355 604 HG LEU 78 HG LEU 78 -11.078 -11.625 -4.605 605 1HD1 LEU 78 1HD1 LEU 78 -10.116 -10.311 -6.398 606 2HD1 LEU 78 2HD1 LEU 78 -11.504 -9.227 -6.320 607 3HD1 LEU 78 3HD1 LEU 78 -11.728 -10.897 -6.836 608 1HD2 LEU 78 1HD2 LEU 78 -10.738 -10.039 -2.803 609 2HD2 LEU 78 2HD2 LEU 78 -10.963 -8.702 -3.932 610 3HD2 LEU 78 3HD2 LEU 78 -9.575 -9.767 -4.103 611 HA PRO 79 HA PRO 79 -17.211 -13.002 -3.362 612 1HB PRO 79 2HB PRO 79 -16.057 -15.459 -2.400 613 2HB PRO 79 1HB PRO 79 -17.314 -15.265 -3.625 614 1HG PRO 79 2HG PRO 79 -14.745 -16.179 -4.079 615 2HG PRO 79 1HG PRO 79 -15.832 -15.536 -5.319 616 1HD PRO 79 2HD PRO 79 -13.522 -14.248 -3.967 617 2HD PRO 79 1HD PRO 79 -14.186 -14.003 -5.600 618 H PHE 80 H PHE 80 -17.700 -13.101 -1.104 619 HA PHE 80 HA PHE 80 -15.742 -11.760 0.486 620 1HB PHE 80 2HB PHE 80 -18.258 -13.074 1.476 621 2HB PHE 80 1HB PHE 80 -17.354 -11.769 2.221 622 HD1 PHE 80 1HD PHE 80 -20.295 -12.242 1.309 623 HD2 PHE 80 2HD PHE 80 -17.049 -9.974 -0.174 624 HE1 PHE 80 1HE PHE 80 -21.899 -10.678 0.227 625 HE2 PHE 80 2HE PHE 80 -18.613 -8.396 -1.249 626 HZ PHE 80 HZ PHE 80 -21.043 -8.749 -1.047 627 H GLY 81 H GLY 81 -14.846 -12.572 2.440 628 1HA GLY 81 2HA GLY 81 -14.046 -14.131 3.876 629 2HA GLY 81 1HA GLY 81 -15.125 -15.324 3.239 630 H LYS 82 H LYS 82 -13.250 -13.796 0.857 631 HA LYS 82 HA LYS 82 -11.532 -16.175 0.755 632 1HB LYS 82 2HB LYS 82 -12.346 -14.336 -1.501 633 2HB LYS 82 1HB LYS 82 -11.394 -15.805 -1.651 634 1HG LYS 82 2HG LYS 82 -14.272 -15.656 -0.763 635 2HG LYS 82 1HG LYS 82 -13.701 -16.137 -2.359 636 1HD LYS 82 2HD LYS 82 -12.589 -18.078 -1.400 637 2HD LYS 82 1HD LYS 82 -13.041 -17.543 0.220 638 1HE LYS 82 2HE LYS 82 -14.983 -18.277 -1.962 639 2HE LYS 82 1HE LYS 82 -14.512 -19.339 -0.632 640 1HZ LYS 82 1HZ LYS 82 -15.439 -17.722 0.917 641 2HZ LYS 82 2HZ LYS 82 -16.605 -18.242 -0.167 642 3HZ LYS 82 3HZ LYS 82 -15.948 -16.721 -0.337 643 H THR 83 H THR 83 -9.354 -15.867 0.117 644 HA THR 83 HA THR 83 -8.342 -13.212 0.798 645 HB THR 83 HB THR 83 -6.911 -15.887 0.794 646 HG1 THR 83 1HG THR 83 -8.636 -15.403 2.474 647 1HG2 THR 83 1HG2 THR 83 -6.067 -13.181 1.874 648 2HG2 THR 83 2HG2 THR 83 -5.409 -13.962 0.438 649 3HG2 THR 83 3HG2 THR 83 -5.151 -14.681 2.029 650 H THR 84 H THR 84 -7.362 -12.065 -0.669 651 HA THR 84 HA THR 84 -6.365 -13.374 -3.074 652 HB THR 84 HB THR 84 -8.276 -11.025 -3.088 653 HG1 THR 84 1HG THR 84 -8.705 -13.597 -3.036 654 1HG2 THR 84 1HG2 THR 84 -8.158 -11.179 -5.548 655 2HG2 THR 84 2HG2 THR 84 -6.921 -12.431 -5.412 656 3HG2 THR 84 3HG2 THR 84 -6.577 -10.788 -4.868 657 H VAL 85 H VAL 85 -4.646 -12.372 -4.044 658 HA VAL 85 HA VAL 85 -3.408 -10.227 -2.507 659 HB VAL 85 HB VAL 85 -2.200 -12.360 -2.418 660 1HG1 VAL 85 1HG1 VAL 85 -2.033 -12.171 -5.417 661 2HG1 VAL 85 2HG1 VAL 85 -2.942 -13.362 -4.492 662 3HG1 VAL 85 3HG1 VAL 85 -1.179 -13.347 -4.419 663 1HG2 VAL 85 1HG2 VAL 85 -0.011 -11.594 -3.190 664 2HG2 VAL 85 2HG2 VAL 85 -0.895 -10.318 -2.351 665 3HG2 VAL 85 3HG2 VAL 85 -0.790 -10.310 -4.111 666 H MET 86 H MET 86 -2.540 -8.458 -3.604 667 HA MET 86 HA MET 86 -2.876 -8.359 -6.502 668 1HB MET 86 2HB MET 86 -3.851 -6.251 -4.575 669 2HB MET 86 1HB MET 86 -3.714 -6.034 -6.313 670 1HG MET 86 2HG MET 86 -5.346 -7.798 -6.657 671 2HG MET 86 1HG MET 86 -5.492 -8.019 -4.918 672 1HE MET 86 1HE MET 86 -6.155 -5.681 -7.970 673 2HE MET 86 2HE MET 86 -5.144 -4.607 -6.985 674 3HE MET 86 3HE MET 86 -6.863 -4.269 -7.202 675 H HIS 87 H HIS 87 -1.622 -6.777 -7.502 676 HA HIS 87 HA HIS 87 0.735 -6.028 -5.899 677 1HB HIS 87 2HB HIS 87 0.539 -6.353 -8.922 678 2HB HIS 87 1HB HIS 87 1.940 -5.801 -7.980 679 HD1 HIS 87 1HD HIS 87 3.468 -7.552 -7.004 680 HD2 HIS 87 2HD HIS 87 -0.008 -9.236 -8.620 681 HE1 HIS 87 1HE HIS 87 3.789 -10.037 -6.964 682 HE2 HIS 87 2HE HIS 87 1.595 -10.984 -7.697 683 H LEU 88 H LEU 88 1.168 -3.855 -5.659 684 HA LEU 88 HA LEU 88 -0.574 -2.086 -7.216 685 1HB LEU 88 2HB LEU 88 0.207 -1.849 -4.312 686 2HB LEU 88 1HB LEU 88 -0.614 -0.599 -5.221 687 HG LEU 88 HG LEU 88 -2.195 -1.710 -3.816 688 1HD1 LEU 88 1HD1 LEU 88 -3.045 -1.039 -5.961 689 2HD1 LEU 88 2HD1 LEU 88 -3.849 -2.500 -5.394 690 3HD1 LEU 88 3HD1 LEU 88 -2.617 -2.606 -6.648 691 1HD2 LEU 88 1HD2 LEU 88 -1.324 -4.284 -5.105 692 2HD2 LEU 88 2HD2 LEU 88 -2.706 -4.121 -4.039 693 3HD2 LEU 88 3HD2 LEU 88 -1.074 -3.810 -3.426 694 H VAL 89 H VAL 89 0.275 -0.146 -7.865 695 HA VAL 89 HA VAL 89 3.149 0.082 -7.462 696 HB VAL 89 HB VAL 89 3.275 1.196 -9.710 697 1HG1 VAL 89 1HG1 VAL 89 2.180 -1.618 -9.730 698 2HG1 VAL 89 2HG1 VAL 89 3.871 -1.163 -9.484 699 3HG1 VAL 89 3HG1 VAL 89 3.092 -0.862 -11.036 700 1HG2 VAL 89 1HG2 VAL 89 1.454 0.963 -11.274 701 2HG2 VAL 89 2HG2 VAL 89 0.885 1.833 -9.838 702 3HG2 VAL 89 3HG2 VAL 89 0.485 0.128 -10.063 703 H ALA 90 H ALA 90 3.965 1.987 -6.902 704 HA ALA 90 HA ALA 90 2.174 4.278 -6.782 705 1HB ALA 90 1HB ALA 90 2.219 3.271 -4.549 706 2HB ALA 90 2HB ALA 90 3.030 4.836 -4.556 707 3HB ALA 90 3HB ALA 90 3.980 3.350 -4.544 708 H ARG 91 H ARG 91 3.143 6.148 -7.259 709 HA ARG 91 HA ARG 91 6.035 6.172 -7.767 710 1HB ARG 91 2HB ARG 91 3.860 7.090 -9.653 711 2HB ARG 91 1HB ARG 91 5.572 7.394 -9.903 712 1HG ARG 91 2HG ARG 91 5.971 4.992 -10.052 713 2HG ARG 91 1HG ARG 91 4.259 4.682 -9.789 714 1HD ARG 91 2HD ARG 91 3.756 5.954 -11.853 715 2HD ARG 91 1HD ARG 91 5.486 6.173 -12.106 716 HE ARG 91 HE ARG 91 5.011 3.464 -11.805 717 1HH1 ARG 91 1HH1 ARG 91 4.224 6.022 -14.116 718 2HH1 ARG 91 2HH1 ARG 91 4.107 4.972 -15.456 719 1HH2 ARG 91 1HH2 ARG 91 4.839 2.014 -13.689 720 2HH2 ARG 91 2HH2 ARG 91 4.461 2.680 -15.207 721 H GLU 92 H GLU 92 6.779 7.746 -6.441 722 HA GLU 92 HA GLU 92 7.049 9.759 -5.375 723 1HB GLU 92 2HB GLU 92 5.291 10.754 -7.634 724 2HB GLU 92 1HB GLU 92 6.316 11.766 -6.625 725 1HG GLU 92 2HG GLU 92 8.292 10.645 -7.462 726 2HG GLU 92 1HG GLU 92 7.291 9.579 -8.436 727 H THR 93 H THR 93 4.909 8.010 -4.730 728 HA THR 93 HA THR 93 2.550 9.481 -4.038 729 HB THR 93 HB THR 93 3.507 6.727 -3.247 730 HG1 THR 93 1HG THR 93 2.721 7.862 -5.571 731 1HG2 THR 93 1HG2 THR 93 1.101 6.240 -3.101 732 2HG2 THR 93 2HG2 THR 93 0.733 7.922 -3.489 733 3HG2 THR 93 3HG2 THR 93 1.569 7.514 -1.983 734 H LEU 94 H LEU 94 5.461 8.291 -2.539 735 HA LEU 94 HA LEU 94 4.761 9.630 -0.036 736 1HB LEU 94 2HB LEU 94 6.878 7.528 -0.595 737 2HB LEU 94 1HB LEU 94 6.666 8.337 0.935 738 HG LEU 94 HG LEU 94 4.410 7.239 1.117 739 1HD1 LEU 94 1HD1 LEU 94 5.352 5.641 -1.256 740 2HD1 LEU 94 2HD1 LEU 94 3.992 6.762 -1.216 741 3HD1 LEU 94 3HD1 LEU 94 3.945 5.287 -0.252 742 1HD2 LEU 94 1HD2 LEU 94 6.338 6.379 2.289 743 2HD2 LEU 94 2HD2 LEU 94 6.803 5.429 0.877 744 3HD2 LEU 94 3HD2 LEU 94 5.313 5.052 1.741 745 HA PRO 95 HA PRO 95 8.005 12.484 -1.304 746 1HB PRO 95 2HB PRO 95 8.210 13.939 0.937 747 2HB PRO 95 1HB PRO 95 6.758 14.037 -0.069 748 1HG PRO 95 2HG PRO 95 7.210 12.513 2.467 749 2HG PRO 95 1HG PRO 95 5.803 13.472 1.967 750 1HD PRO 95 2HD PRO 95 5.939 10.729 1.778 751 2HD PRO 95 1HD PRO 95 4.911 11.746 0.748 752 H GLU 96 H GLU 96 8.403 9.860 0.269 753 HA GLU 96 HA GLU 96 11.208 10.187 0.993 754 1HB GLU 96 2HB GLU 96 9.060 8.874 2.671 755 2HB GLU 96 1HB GLU 96 10.777 8.730 2.972 756 1HG GLU 96 2HG GLU 96 10.915 11.097 3.457 757 2HG GLU 96 1HG GLU 96 9.211 11.296 3.049 758 HA PRO 97 HA PRO 97 11.375 6.224 -1.147 759 1HB PRO 97 2HB PRO 97 12.988 4.781 0.611 760 2HB PRO 97 1HB PRO 97 13.600 5.831 -0.677 761 1HG PRO 97 2HG PRO 97 13.291 6.364 2.244 762 2HG PRO 97 1HG PRO 97 14.562 6.908 1.135 763 1HD PRO 97 2HD PRO 97 12.607 8.549 1.971 764 2HD PRO 97 1HD PRO 97 13.281 8.653 0.333 765 H ASN 98 H ASN 98 11.542 5.522 2.342 766 HA ASN 98 HA ASN 98 8.927 4.852 2.808 767 1HB ASN 98 2HB ASN 98 9.210 2.953 1.233 768 2HB ASN 98 1HB ASN 98 10.567 2.365 2.183 769 1HD2 ASN 98 1HD2 ASN 98 7.104 2.716 2.038 770 2HD2 ASN 98 2HD2 ASN 98 6.742 1.629 3.329 771 H SER 99 H SER 99 9.727 6.116 4.509 772 HA SER 99 HA SER 99 10.099 6.484 6.652 773 1HB SER 99 2HB SER 99 9.889 3.495 6.924 774 2HB SER 99 1HB SER 99 9.808 4.645 8.259 775 HG SER 99 HG SER 99 7.760 4.473 7.773 776 H GLN 100 H GLN 100 12.430 4.152 5.403 777 HA GLN 100 HA GLN 100 14.211 4.479 7.656 778 1HB GLN 100 2HB GLN 100 14.132 2.361 6.472 779 2HB GLN 100 1HB GLN 100 14.617 3.146 4.986 780 1HG GLN 100 2HG GLN 100 16.476 1.924 5.959 781 2HG GLN 100 1HG GLN 100 16.806 3.649 5.957 782 1HE2 GLN 100 1HE2 GLN 100 18.356 3.393 7.584 783 2HE2 GLN 100 2HE2 GLN 100 17.909 3.084 9.214 784 H GLY 101 H GLY 101 14.390 5.432 4.230 785 1HA GLY 101 2HA GLY 101 15.323 7.341 3.302 786 2HA GLY 101 1HA GLY 101 15.685 7.904 4.925 787 H GLN 102 H GLN 102 16.851 4.812 4.509 788 HA GLN 102 HA GLN 102 19.457 5.689 3.503 789 1HB GLN 102 2HB GLN 102 19.035 4.168 6.083 790 2HB GLN 102 1HB GLN 102 20.587 4.348 5.293 791 1HG GLN 102 2HG GLN 102 20.481 6.764 5.633 792 2HG GLN 102 1HG GLN 102 18.899 6.593 6.394 793 1HE2 GLN 102 1HE2 GLN 102 18.765 5.747 8.457 794 2HE2 GLN 102 2HE2 GLN 102 20.136 5.549 9.480 795 H ARG 103 H ARG 103 20.413 4.221 2.191 796 HA ARG 103 HA ARG 103 19.171 1.567 2.023 797 1HB ARG 103 2HB ARG 103 20.855 3.042 -0.034 798 2HB ARG 103 1HB ARG 103 20.204 1.428 -0.242 799 1HG ARG 103 2HG ARG 103 18.596 3.966 0.033 800 2HG ARG 103 1HG ARG 103 18.910 3.090 -1.467 801 1HD ARG 103 2HD ARG 103 17.757 1.129 -0.528 802 2HD ARG 103 1HD ARG 103 17.401 2.053 0.929 803 HE ARG 103 HE ARG 103 16.478 3.367 -1.415 804 1HH1 ARG 103 1HH1 ARG 103 15.663 0.811 0.896 805 2HH1 ARG 103 2HH1 ARG 103 14.003 0.846 0.535 806 1HH2 ARG 103 1HH2 ARG 103 14.231 3.420 -1.879 807 2HH2 ARG 103 2HH2 ARG 103 13.141 2.377 -1.077 808 H ASN 104 H ASN 104 20.360 0.724 3.758 809 HA ASN 104 HA ASN 104 23.206 0.360 3.236 810 1HB ASN 104 2HB ASN 104 23.870 1.171 5.430 811 2HB ASN 104 1HB ASN 104 23.043 2.433 4.530 812 1HD2 ASN 104 1HD2 ASN 104 23.464 2.032 7.418 813 2HD2 ASN 104 2HD2 ASN 104 21.880 2.064 8.125 814 H ARG 105 H ARG 105 24.118 -0.828 5.271 815 HA ARG 105 HA ARG 105 22.817 -3.356 5.436 816 1HB ARG 105 2HB ARG 105 25.302 -2.226 6.683 817 2HB ARG 105 1HB ARG 105 24.661 -3.759 7.217 818 1HG ARG 105 2HG ARG 105 26.513 -3.937 5.619 819 2HG ARG 105 1HG ARG 105 25.058 -4.734 5.059 820 1HD ARG 105 2HD ARG 105 24.621 -3.002 3.540 821 2HD ARG 105 1HD ARG 105 25.917 -1.961 4.200 822 HE ARG 105 HE ARG 105 26.480 -4.565 2.915 823 1HH1 ARG 105 1HH1 ARG 105 26.929 -1.047 2.946 824 2HH1 ARG 105 2HH1 ARG 105 28.169 -1.054 1.803 825 1HH2 ARG 105 1HH2 ARG 105 28.125 -4.592 1.356 826 2HH2 ARG 105 2HH2 ARG 105 28.889 -3.172 0.834 827 H GLU 106 H GLU 106 23.293 -0.662 7.708 828 HA GLU 106 HA GLU 106 22.480 -0.161 9.747 829 1HB GLU 106 2HB GLU 106 20.455 -2.348 9.145 830 2HB GLU 106 1HB GLU 106 20.426 -1.410 10.632 831 1HG GLU 106 2HG GLU 106 20.251 -0.182 7.896 832 2HG GLU 106 1HG GLU 106 18.841 -0.668 8.837 833 H LYS 107 H LYS 107 22.250 -3.658 9.497 834 HA LYS 107 HA LYS 107 24.399 -3.910 11.459 835 1HB LYS 107 2HB LYS 107 23.264 -5.837 12.481 836 2HB LYS 107 1HB LYS 107 22.283 -4.390 12.647 837 1HG LYS 107 2HG LYS 107 20.848 -5.142 10.808 838 2HG LYS 107 1HG LYS 107 21.845 -6.581 10.613 839 1HD LYS 107 2HD LYS 107 20.231 -5.855 13.074 840 2HD LYS 107 1HD LYS 107 19.802 -7.087 11.891 841 1HE LYS 107 2HE LYS 107 21.908 -8.288 12.459 842 2HE LYS 107 1HE LYS 107 22.215 -7.078 13.695 843 1HZ LYS 107 1HZ LYS 107 21.225 -9.073 14.639 844 2HZ LYS 107 2HZ LYS 107 19.884 -8.925 13.651 845 3HZ LYS 107 3HZ LYS 107 20.178 -7.776 14.837 846 H THR 108 H THR 108 25.023 -6.505 11.280 847 HA THR 108 HA THR 108 25.740 -6.771 8.566 848 HB THR 108 HB THR 108 26.627 -9.031 9.356 849 HG1 THR 108 1HG THR 108 26.615 -9.418 11.501 850 1HG2 THR 108 1HG2 THR 108 28.493 -8.013 10.602 851 2HG2 THR 108 2HG2 THR 108 27.550 -6.534 10.795 852 3HG2 THR 108 3HG2 THR 108 28.060 -7.049 9.190 853 H GLY 109 H GLY 109 24.461 -7.360 7.067 854 1HA GLY 109 2HA GLY 109 22.884 -9.759 7.235 855 2HA GLY 109 1HA GLY 109 21.929 -8.285 7.136 856 H GLU 110 H GLU 110 23.006 -6.713 5.441 857 HA GLU 110 HA GLU 110 22.690 -7.903 2.918 858 1HB GLU 110 2HB GLU 110 24.000 -5.272 3.604 859 2HB GLU 110 1HB GLU 110 23.624 -5.808 1.982 860 1HG GLU 110 2HG GLU 110 21.618 -5.364 4.174 861 2HG GLU 110 1HG GLU 110 21.949 -4.265 2.832 862 H SER 111 H SER 111 25.686 -6.689 4.431 863 HA SER 111 HA SER 111 27.319 -8.812 3.777 864 1HB SER 111 2HB SER 111 28.683 -7.677 1.972 865 2HB SER 111 1HB SER 111 27.077 -8.175 1.434 866 HG SER 111 HG SER 111 26.946 -6.207 0.823 867 H ASN 112 H ASN 112 29.755 -7.876 3.915 868 HA ASN 112 HA ASN 112 30.093 -5.368 5.153 869 1HB ASN 112 2HB ASN 112 29.150 -6.460 7.133 870 2HB ASN 112 1HB ASN 112 30.301 -7.782 6.996 871 1HD2 ASN 112 1HD2 ASN 112 29.861 -4.419 7.899 872 2HD2 ASN 112 2HD2 ASN 112 31.390 -4.253 8.653 873 H CYS 113 H CYS 113 32.150 -4.721 4.948 874 HA CYS 113 HA CYS 113 34.288 -6.613 4.760 875 1HB CYS 113 2HB CYS 113 35.064 -5.573 2.608 876 2HB CYS 113 1HB CYS 113 33.576 -6.499 2.435 877 HG CYS 113 HG CYS 113 34.175 -3.328 1.755 878 H CYS 114 H CYS 114 36.374 -5.079 4.387 879 HA CYS 114 HA CYS 114 36.299 -3.223 6.503 880 1HB CYS 114 2HB CYS 114 38.632 -2.637 5.809 881 2HB CYS 114 1HB CYS 114 38.375 -4.360 6.027 882 HG CYS 114 HG CYS 114 38.685 -5.099 3.486 883 H VAL 115 H VAL 115 35.213 -1.401 6.418 884 HA VAL 115 HA VAL 115 35.243 0.041 3.889 885 HB VAL 115 HB VAL 115 33.079 1.071 4.484 886 1HG1 VAL 115 1HG1 VAL 115 31.664 -0.906 4.153 887 2HG1 VAL 115 2HG1 VAL 115 33.043 -1.939 4.531 888 3HG1 VAL 115 3HG1 VAL 115 33.078 -0.917 3.098 889 1HG2 VAL 115 1HG2 VAL 115 33.126 -0.804 6.852 890 2HG2 VAL 115 2HG2 VAL 115 31.744 0.173 6.350 891 3HG2 VAL 115 3HG2 VAL 115 33.219 0.955 6.915 892 H ILE 116 H ILE 116 35.467 2.228 3.891 893 HA ILE 116 HA ILE 116 36.673 3.304 6.309 894 HB ILE 116 HB ILE 116 36.708 4.392 3.459 895 1HG1 ILE 116 2HG1 ILE 116 39.187 4.085 3.628 896 2HG1 ILE 116 1HG1 ILE 116 38.960 3.316 5.190 897 1HG2 ILE 116 1HG2 ILE 116 38.208 6.164 4.262 898 2HG2 ILE 116 2HG2 ILE 116 37.965 5.601 5.917 899 3HG2 ILE 116 3HG2 ILE 116 36.607 6.256 5.000 900 1HD1 ILE 116 1HD1 ILE 116 39.360 1.687 3.425 901 2HD1 ILE 116 2HD1 ILE 116 37.962 2.297 2.534 902 3HD1 ILE 116 3HD1 ILE 116 37.736 1.503 4.089 903 H LEU 117 H LEU 117 35.197 4.000 7.626 904 HA LEU 117 HA LEU 117 32.948 5.542 6.556 905 1HB LEU 117 2HB LEU 117 32.623 3.370 7.939 906 2HB LEU 117 1HB LEU 117 33.203 4.292 9.301 907 HG LEU 117 HG LEU 117 30.790 4.095 9.365 908 1HD1 LEU 117 1HD1 LEU 117 31.673 6.155 10.272 909 2HD1 LEU 117 2HD1 LEU 117 30.097 6.416 9.535 910 3HD1 LEU 117 3HD1 LEU 117 31.561 6.914 8.686 911 1HD2 LEU 117 1HD2 LEU 117 30.354 3.760 7.021 912 2HD2 LEU 117 2HD2 LEU 117 30.801 5.429 6.672 913 3HD2 LEU 117 3HD2 LEU 117 29.365 5.084 7.638 Start of MODEL 5 1 H SER 2 H SER 2 -3.164 -14.778 12.438 2 HA SER 2 HA SER 2 -3.957 -15.211 9.778 3 1HB SER 2 2HB SER 2 -5.116 -16.328 12.335 4 2HB SER 2 1HB SER 2 -5.360 -16.966 10.703 5 HG SER 2 HG SER 2 -3.617 -17.855 12.174 6 H SER 3 H SER 3 -5.289 -13.951 8.771 7 HA SER 3 HA SER 3 -7.225 -12.389 10.241 8 1HB SER 3 2HB SER 3 -6.430 -12.291 7.321 9 2HB SER 3 1HB SER 3 -7.495 -11.147 8.140 10 HG SER 3 HG SER 3 -4.958 -11.654 9.195 11 H ASN 4 H ASN 4 -8.838 -13.759 10.766 12 HA ASN 4 HA ASN 4 -10.049 -15.516 8.881 13 1HB ASN 4 2HB ASN 4 -11.015 -14.531 11.573 14 2HB ASN 4 1HB ASN 4 -11.890 -15.695 10.589 15 1HD2 ASN 4 1HD2 ASN 4 -11.755 -17.285 12.125 16 2HD2 ASN 4 2HD2 ASN 4 -10.286 -18.100 12.518 17 H VAL 5 H VAL 5 -11.348 -15.013 7.364 18 HA VAL 5 HA VAL 5 -12.284 -12.264 7.159 19 HB VAL 5 HB VAL 5 -12.570 -14.370 5.076 20 1HG1 VAL 5 1HG1 VAL 5 -12.325 -12.494 3.529 21 2HG1 VAL 5 2HG1 VAL 5 -12.166 -11.414 4.902 22 3HG1 VAL 5 3HG1 VAL 5 -13.685 -12.295 4.646 23 1HG2 VAL 5 1HG2 VAL 5 -10.386 -13.840 4.168 24 2HG2 VAL 5 2HG2 VAL 5 -10.243 -14.488 5.803 25 3HG2 VAL 5 3HG2 VAL 5 -10.060 -12.760 5.520 26 HA PRO 6 HA PRO 6 -16.508 -13.861 7.985 27 1HB PRO 6 2HB PRO 6 -17.277 -11.066 7.720 28 2HB PRO 6 1HB PRO 6 -17.412 -12.106 9.133 29 1HG PRO 6 2HG PRO 6 -15.681 -10.029 8.967 30 2HG PRO 6 1HG PRO 6 -15.348 -11.482 9.938 31 1HD PRO 6 2HD PRO 6 -14.297 -10.690 7.255 32 2HD PRO 6 1HD PRO 6 -13.478 -11.511 8.600 33 H ALA 7 H ALA 7 -18.566 -13.625 6.707 34 HA ALA 7 HA ALA 7 -17.944 -13.283 3.945 35 1HB ALA 7 1HB ALA 7 -19.216 -15.241 4.648 36 2HB ALA 7 2HB ALA 7 -20.126 -14.221 3.520 37 3HB ALA 7 3HB ALA 7 -20.495 -14.177 5.252 38 H ASP 8 H ASP 8 -17.552 -11.125 4.435 39 HA ASP 8 HA ASP 8 -19.585 -9.377 3.407 40 1HB ASP 8 2HB ASP 8 -20.282 -9.380 5.790 41 2HB ASP 8 1HB ASP 8 -18.653 -8.908 6.264 42 H MET 9 H MET 9 -16.530 -10.020 4.797 43 HA MET 9 HA MET 9 -15.320 -7.612 3.607 44 1HB MET 9 2HB MET 9 -14.142 -9.573 5.582 45 2HB MET 9 1HB MET 9 -13.404 -8.084 5.040 46 1HG MET 9 2HG MET 9 -15.946 -8.282 6.619 47 2HG MET 9 1HG MET 9 -14.360 -7.939 7.300 48 1HE MET 9 1HE MET 9 -13.560 -4.417 5.835 49 2HE MET 9 2HE MET 9 -13.072 -5.973 5.183 50 3HE MET 9 3HE MET 9 -13.028 -5.700 6.927 51 H ILE 10 H ILE 10 -13.351 -7.920 2.423 52 HA ILE 10 HA ILE 10 -12.908 -10.655 1.599 53 HB ILE 10 HB ILE 10 -12.059 -9.755 -0.628 54 1HG1 ILE 10 2HG1 ILE 10 -13.211 -7.578 -1.357 55 2HG1 ILE 10 1HG1 ILE 10 -13.335 -7.257 0.370 56 1HG2 ILE 10 1HG2 ILE 10 -14.952 -9.394 -0.044 57 2HG2 ILE 10 2HG2 ILE 10 -14.124 -10.869 -0.611 58 3HG2 ILE 10 3HG2 ILE 10 -14.208 -9.416 -1.636 59 1HD1 ILE 10 1HD1 ILE 10 -10.884 -7.333 0.521 60 2HD1 ILE 10 2HD1 ILE 10 -11.458 -6.143 -0.687 61 3HD1 ILE 10 3HD1 ILE 10 -10.850 -7.699 -1.216 62 H ASN 11 H ASN 11 -10.773 -11.374 1.433 63 HA ASN 11 HA ASN 11 -9.033 -9.807 3.174 64 1HB ASN 11 2HB ASN 11 -9.518 -12.195 3.610 65 2HB ASN 11 1HB ASN 11 -8.728 -12.658 2.146 66 1HD2 ASN 11 1HD2 ASN 11 -6.632 -10.518 2.751 67 2HD2 ASN 11 2HD2 ASN 11 -5.601 -11.255 3.932 68 H LEU 12 H LEU 12 -7.669 -8.457 2.221 69 HA LEU 12 HA LEU 12 -6.837 -9.112 -0.495 70 1HB LEU 12 2HB LEU 12 -8.349 -7.324 -0.573 71 2HB LEU 12 1HB LEU 12 -7.595 -6.518 0.781 72 HG LEU 12 HG LEU 12 -5.651 -6.005 -0.594 73 1HD1 LEU 12 1HD1 LEU 12 -5.634 -7.857 -2.056 74 2HD1 LEU 12 2HD1 LEU 12 -5.664 -6.360 -2.971 75 3HD1 LEU 12 3HD1 LEU 12 -7.140 -7.345 -2.835 76 1HD2 LEU 12 1HD2 LEU 12 -8.273 -5.202 -1.802 77 2HD2 LEU 12 2HD2 LEU 12 -6.731 -4.398 -2.085 78 3HD2 LEU 12 3HD2 LEU 12 -7.442 -4.405 -0.466 79 H ARG 13 H ARG 13 -4.792 -9.187 -0.903 80 HA ARG 13 HA ARG 13 -2.881 -8.181 1.071 81 1HB ARG 13 2HB ARG 13 -2.810 -10.586 0.410 82 2HB ARG 13 1HB ARG 13 -2.452 -10.071 -1.221 83 1HG ARG 13 2HG ARG 13 -0.370 -9.152 -0.572 84 2HG ARG 13 1HG ARG 13 -0.734 -9.391 1.143 85 1HD ARG 13 2HD ARG 13 -0.981 -11.764 0.700 86 2HD ARG 13 1HD ARG 13 -0.402 -11.516 -0.949 87 HE ARG 13 HE ARG 13 1.714 -10.864 -0.017 88 1HH1 ARG 13 1HH1 ARG 13 -0.588 -12.368 2.274 89 2HH1 ARG 13 2HH1 ARG 13 0.613 -12.950 3.301 90 1HH2 ARG 13 1HH2 ARG 13 3.404 -11.700 1.492 91 2HH2 ARG 13 2HH2 ARG 13 2.887 -12.559 2.863 92 H LEU 14 H LEU 14 -1.963 -6.393 0.600 93 HA LEU 14 HA LEU 14 -1.989 -5.332 -2.122 94 1HB LEU 14 2HB LEU 14 -1.497 -3.807 0.549 95 2HB LEU 14 1HB LEU 14 -1.467 -3.110 -1.045 96 HG LEU 14 HG LEU 14 -3.398 -2.537 0.091 97 1HD1 LEU 14 1HD1 LEU 14 -3.569 -2.720 -2.283 98 2HD1 LEU 14 2HD1 LEU 14 -5.102 -3.148 -1.526 99 3HD1 LEU 14 3HD1 LEU 14 -4.046 -4.416 -2.159 100 1HD2 LEU 14 1HD2 LEU 14 -4.032 -5.464 0.257 101 2HD2 LEU 14 2HD2 LEU 14 -5.186 -4.172 0.573 102 3HD2 LEU 14 3HD2 LEU 14 -3.774 -4.374 1.624 103 H ILE 15 H ILE 15 -0.167 -5.503 -3.281 104 HA ILE 15 HA ILE 15 2.330 -5.937 -1.806 105 HB ILE 15 HB ILE 15 1.995 -6.053 -4.813 106 1HG1 ILE 15 2HG1 ILE 15 0.465 -7.717 -3.747 107 2HG1 ILE 15 1HG1 ILE 15 1.737 -8.461 -4.714 108 1HG2 ILE 15 1HG2 ILE 15 4.244 -5.802 -4.058 109 2HG2 ILE 15 2HG2 ILE 15 4.032 -7.466 -4.642 110 3HG2 ILE 15 3HG2 ILE 15 4.017 -7.108 -2.907 111 1HD1 ILE 15 1HD1 ILE 15 1.675 -8.147 -1.761 112 2HD1 ILE 15 2HD1 ILE 15 2.911 -8.966 -2.767 113 3HD1 ILE 15 3HD1 ILE 15 1.264 -9.618 -2.678 114 H LEU 16 H LEU 16 3.478 -4.186 -1.449 115 HA LEU 16 HA LEU 16 2.860 -1.741 -2.821 116 1HB LEU 16 2HB LEU 16 4.903 -2.347 -0.683 117 2HB LEU 16 1HB LEU 16 4.736 -0.768 -1.407 118 HG LEU 16 HG LEU 16 3.653 -0.713 0.697 119 1HD1 LEU 16 1HD1 LEU 16 1.382 -0.095 0.139 120 2HD1 LEU 16 2HD1 LEU 16 1.542 -0.894 -1.420 121 3HD1 LEU 16 3HD1 LEU 16 2.539 0.515 -1.047 122 1HD2 LEU 16 1HD2 LEU 16 1.792 -2.194 1.330 123 2HD2 LEU 16 2HD2 LEU 16 3.290 -3.092 1.087 124 3HD2 LEU 16 3HD2 LEU 16 2.033 -3.122 -0.151 125 H VAL 17 H VAL 17 4.726 -0.297 -3.571 126 HA VAL 17 HA VAL 17 5.779 -1.510 -5.928 127 HB VAL 17 HB VAL 17 6.538 1.175 -4.731 128 1HG1 VAL 17 1HG1 VAL 17 6.658 0.211 -7.580 129 2HG1 VAL 17 2HG1 VAL 17 8.031 0.492 -6.511 130 3HG1 VAL 17 3HG1 VAL 17 7.023 1.845 -7.026 131 1HG2 VAL 17 1HG2 VAL 17 4.292 0.499 -6.605 132 2HG2 VAL 17 2HG2 VAL 17 4.771 2.132 -6.128 133 3HG2 VAL 17 3HG2 VAL 17 4.124 1.012 -4.927 134 H SER 18 H SER 18 6.996 -0.838 -2.805 135 HA SER 18 HA SER 18 9.789 -1.159 -3.376 136 1HB SER 18 2HB SER 18 8.314 -1.293 -0.759 137 2HB SER 18 1HB SER 18 10.045 -1.000 -0.984 138 HG SER 18 HG SER 18 8.933 0.775 -2.475 139 H GLY 19 H GLY 19 7.413 -3.410 -3.583 140 1HA GLY 19 2HA GLY 19 7.571 -5.690 -3.797 141 2HA GLY 19 1HA GLY 19 9.247 -5.599 -3.270 142 H LYS 20 H LYS 20 7.203 -3.978 -1.247 143 HA LYS 20 HA LYS 20 7.518 -6.040 0.753 144 1HB LYS 20 2HB LYS 20 6.531 -3.207 1.038 145 2HB LYS 20 1HB LYS 20 6.880 -4.313 2.366 146 1HG LYS 20 2HG LYS 20 9.225 -4.467 1.509 147 2HG LYS 20 1HG LYS 20 8.828 -3.176 0.382 148 1HD LYS 20 2HD LYS 20 8.715 -3.063 3.366 149 2HD LYS 20 1HD LYS 20 9.971 -2.363 2.322 150 1HE LYS 20 2HE LYS 20 8.294 -0.853 1.336 151 2HE LYS 20 1HE LYS 20 7.056 -1.544 2.386 152 1HZ LYS 20 1HZ LYS 20 9.477 -0.089 3.322 153 2HZ LYS 20 2HZ LYS 20 8.259 -0.712 4.297 154 3HZ LYS 20 3HZ LYS 20 7.925 0.549 3.249 155 H THR 21 H THR 21 5.832 -7.178 1.533 156 HA THR 21 HA THR 21 3.293 -6.751 0.145 157 HB THR 21 HB THR 21 2.838 -9.068 0.583 158 HG1 THR 21 1HG THR 21 4.289 -8.954 2.593 159 1HG2 THR 21 1HG2 THR 21 4.129 -8.497 -1.403 160 2HG2 THR 21 2HG2 THR 21 4.592 -10.091 -0.801 161 3HG2 THR 21 3HG2 THR 21 5.634 -8.695 -0.507 162 H LYS 22 H LYS 22 1.472 -6.344 1.315 163 HA LYS 22 HA LYS 22 1.540 -6.895 4.189 164 1HB LYS 22 2HB LYS 22 2.324 -4.523 3.630 165 2HB LYS 22 1HB LYS 22 0.690 -4.217 3.089 166 1HG LYS 22 2HG LYS 22 -0.172 -4.507 5.288 167 2HG LYS 22 1HG LYS 22 1.394 -5.088 5.878 168 1HD LYS 22 2HD LYS 22 2.388 -2.914 5.234 169 2HD LYS 22 1HD LYS 22 0.777 -2.337 4.810 170 1HE LYS 22 2HE LYS 22 0.064 -2.661 7.128 171 2HE LYS 22 1HE LYS 22 1.671 -3.261 7.531 172 1HZ LYS 22 1HZ LYS 22 1.070 -0.533 6.521 173 2HZ LYS 22 2HZ LYS 22 2.585 -1.116 6.970 174 3HZ LYS 22 3HZ LYS 22 1.359 -0.947 8.129 175 H GLU 23 H GLU 23 -0.573 -7.402 5.027 176 HA GLU 23 HA GLU 23 -2.649 -7.524 2.939 177 1HB GLU 23 2HB GLU 23 -1.250 -9.608 3.135 178 2HB GLU 23 1HB GLU 23 -1.844 -9.760 4.767 179 1HG GLU 23 2HG GLU 23 -4.171 -9.900 3.804 180 2HG GLU 23 1HG GLU 23 -3.413 -9.910 2.238 181 H PHE 24 H PHE 24 -4.675 -7.043 3.676 182 HA PHE 24 HA PHE 24 -5.345 -7.326 6.485 183 1HB PHE 24 2HB PHE 24 -5.631 -4.686 5.040 184 2HB PHE 24 1HB PHE 24 -6.403 -5.066 6.562 185 HD1 PHE 24 1HD PHE 24 -4.880 -5.608 8.544 186 HD2 PHE 24 2HD PHE 24 -3.541 -3.764 4.959 187 HE1 PHE 24 1HE PHE 24 -2.929 -4.716 9.743 188 HE2 PHE 24 2HE PHE 24 -1.598 -2.874 6.125 189 HZ PHE 24 HZ PHE 24 -1.280 -3.351 8.547 190 H LEU 25 H LEU 25 -7.640 -7.150 6.869 191 HA LEU 25 HA LEU 25 -9.248 -8.086 4.662 192 1HB LEU 25 2HB LEU 25 -10.107 -7.158 7.405 193 2HB LEU 25 1HB LEU 25 -11.109 -7.993 6.247 194 HG LEU 25 HG LEU 25 -8.765 -9.125 7.754 195 1HD1 LEU 25 1HD1 LEU 25 -11.721 -9.655 7.867 196 2HD1 LEU 25 2HD1 LEU 25 -10.753 -8.843 9.096 197 3HD1 LEU 25 3HD1 LEU 25 -10.491 -10.559 8.750 198 1HD2 LEU 25 1HD2 LEU 25 -8.854 -10.066 5.508 199 2HD2 LEU 25 2HD2 LEU 25 -10.568 -10.417 5.724 200 3HD2 LEU 25 3HD2 LEU 25 -9.364 -11.248 6.714 201 H PHE 26 H PHE 26 -10.312 -6.786 3.302 202 HA PHE 26 HA PHE 26 -10.941 -4.093 4.210 203 1HB PHE 26 2HB PHE 26 -9.744 -4.853 1.544 204 2HB PHE 26 1HB PHE 26 -10.612 -3.345 1.786 205 HD1 PHE 26 1HD PHE 26 -9.711 -1.637 3.308 206 HD2 PHE 26 2HD PHE 26 -7.474 -5.134 2.345 207 HE1 PHE 26 1HE PHE 26 -7.656 -0.552 4.112 208 HE2 PHE 26 2HE PHE 26 -5.447 -4.060 3.138 209 HZ PHE 26 HZ PHE 26 -5.506 -1.775 4.016 210 H SER 27 H SER 27 -12.669 -3.097 2.981 211 HA SER 27 HA SER 27 -14.744 -5.027 2.628 212 1HB SER 27 2HB SER 27 -14.779 -2.012 2.411 213 2HB SER 27 1HB SER 27 -16.200 -3.058 2.476 214 HG SER 27 HG SER 27 -15.711 -3.608 4.531 215 HA PRO 28 HA PRO 28 -14.082 -5.342 -1.727 216 1HB PRO 28 2HB PRO 28 -16.641 -5.989 -2.523 217 2HB PRO 28 1HB PRO 28 -15.492 -7.102 -1.757 218 1HG PRO 28 2HG PRO 28 -17.663 -5.504 -0.460 219 2HG PRO 28 1HG PRO 28 -17.295 -7.233 -0.281 220 1HD PRO 28 2HD PRO 28 -16.475 -5.510 1.550 221 2HD PRO 28 1HD PRO 28 -15.390 -6.808 0.985 222 H ASN 29 H ASN 29 -16.202 -3.006 -0.400 223 HA ASN 29 HA ASN 29 -16.760 -1.691 -2.921 224 1HB ASN 29 2HB ASN 29 -17.477 -0.952 -0.085 225 2HB ASN 29 1HB ASN 29 -17.807 0.100 -1.450 226 1HD2 ASN 29 1HD2 ASN 29 -19.980 0.008 -1.152 227 2HD2 ASN 29 2HD2 ASN 29 -20.936 -1.388 -1.508 228 H ASP 30 H ASP 30 -14.159 -1.735 -0.839 229 HA ASP 30 HA ASP 30 -13.457 1.032 -1.150 230 1HB ASP 30 2HB ASP 30 -11.979 -1.320 0.035 231 2HB ASP 30 1HB ASP 30 -11.188 0.229 -0.158 232 H SER 31 H SER 31 -11.584 1.806 -2.258 233 HA SER 31 HA SER 31 -11.218 0.367 -4.760 234 1HB SER 31 2HB SER 31 -10.561 3.219 -3.980 235 2HB SER 31 1HB SER 31 -10.245 2.520 -5.568 236 HG SER 31 HG SER 31 -12.351 2.390 -5.972 237 H ALA 32 H ALA 32 -9.460 -0.695 -5.186 238 HA ALA 32 HA ALA 32 -7.462 -1.446 -3.438 239 1HB ALA 32 1HB ALA 32 -8.050 -2.555 -5.545 240 2HB ALA 32 2HB ALA 32 -6.302 -2.284 -5.394 241 3HB ALA 32 3HB ALA 32 -7.296 -1.215 -6.396 242 H SER 33 H SER 33 -7.261 1.270 -5.773 243 HA SER 33 HA SER 33 -4.519 1.713 -5.264 244 1HB SER 33 2HB SER 33 -5.019 3.852 -6.547 245 2HB SER 33 1HB SER 33 -5.324 2.343 -7.396 246 HG SER 33 HG SER 33 -7.045 3.712 -7.645 247 H ASP 34 H ASP 34 -7.481 2.995 -3.919 248 HA ASP 34 HA ASP 34 -6.347 5.083 -2.330 249 1HB ASP 34 2HB ASP 34 -8.765 5.010 -2.730 250 2HB ASP 34 1HB ASP 34 -8.857 3.419 -1.996 251 H ILE 35 H ILE 35 -7.116 1.736 -1.875 252 HA ILE 35 HA ILE 35 -6.337 1.414 0.783 253 HB ILE 35 HB ILE 35 -6.313 -0.599 -1.473 254 1HG1 ILE 35 2HG1 ILE 35 -8.382 -0.029 0.657 255 2HG1 ILE 35 1HG1 ILE 35 -8.518 0.381 -1.046 256 1HG2 ILE 35 1HG2 ILE 35 -6.232 -1.032 1.502 257 2HG2 ILE 35 2HG2 ILE 35 -4.904 -1.285 0.378 258 3HG2 ILE 35 3HG2 ILE 35 -6.354 -2.292 0.272 259 1HD1 ILE 35 1HD1 ILE 35 -9.787 -1.620 -0.540 260 2HD1 ILE 35 2HD1 ILE 35 -8.327 -2.378 0.105 261 3HD1 ILE 35 3HD1 ILE 35 -8.426 -2.005 -1.607 262 H ALA 36 H ALA 36 -4.473 0.998 -2.215 263 HA ALA 36 HA ALA 36 -2.045 0.167 -1.293 264 1HB ALA 36 1HB ALA 36 -2.626 0.529 -3.664 265 2HB ALA 36 2HB ALA 36 -1.065 1.227 -3.231 266 3HB ALA 36 3HB ALA 36 -2.477 2.264 -3.405 267 H LYS 37 H LYS 37 -3.299 3.499 -1.248 268 HA LYS 37 HA LYS 37 -0.845 4.670 -0.381 269 1HB LYS 37 2HB LYS 37 -3.110 5.576 -1.558 270 2HB LYS 37 1HB LYS 37 -3.518 5.930 0.092 271 1HG LYS 37 2HG LYS 37 -1.121 7.048 -1.400 272 2HG LYS 37 1HG LYS 37 -2.652 7.868 -1.214 273 1HD LYS 37 2HD LYS 37 -1.290 8.886 0.384 274 2HD LYS 37 1HD LYS 37 -2.148 7.689 1.334 275 1HE LYS 37 2HE LYS 37 -0.224 6.221 1.252 276 2HE LYS 37 1HE LYS 37 0.632 7.361 0.211 277 1HZ LYS 37 1HZ LYS 37 -0.206 7.807 3.032 278 2HZ LYS 37 2HZ LYS 37 0.385 9.014 2.028 279 3HZ LYS 37 3HZ LYS 37 1.379 7.734 2.438 280 H HIS 38 H HIS 38 -3.719 3.326 1.037 281 HA HIS 38 HA HIS 38 -3.411 4.179 3.744 282 1HB HIS 38 2HB HIS 38 -5.571 3.558 2.812 283 2HB HIS 38 1HB HIS 38 -5.006 1.931 2.494 284 HD1 HIS 38 1HD HIS 38 -6.921 3.850 4.866 285 HD2 HIS 38 2HD HIS 38 -4.504 0.472 5.072 286 HE1 HIS 38 1HE HIS 38 -7.583 2.657 6.978 287 HE2 HIS 38 2HE HIS 38 -5.882 0.838 7.209 288 H VAL 39 H VAL 39 -2.746 1.059 2.123 289 HA VAL 39 HA VAL 39 -1.778 -0.247 4.449 290 HB VAL 39 HB VAL 39 -0.992 -2.008 2.919 291 1HG1 VAL 39 1HG1 VAL 39 -3.259 -1.982 3.835 292 2HG1 VAL 39 2HG1 VAL 39 -3.262 -2.636 2.202 293 3HG1 VAL 39 3HG1 VAL 39 -3.805 -0.992 2.488 294 1HG2 VAL 39 1HG2 VAL 39 -0.442 -0.554 1.014 295 2HG2 VAL 39 2HG2 VAL 39 -2.177 -0.218 0.832 296 3HG2 VAL 39 3HG2 VAL 39 -1.564 -1.845 0.568 297 H TYR 40 H TYR 40 -0.242 1.630 2.003 298 HA TYR 40 HA TYR 40 2.378 0.859 2.056 299 1HB TYR 40 2HB TYR 40 1.557 2.636 0.603 300 2HB TYR 40 1HB TYR 40 1.316 3.690 1.981 301 HD1 TYR 40 1HD TYR 40 3.122 4.989 2.860 302 HD2 TYR 40 2HD TYR 40 3.881 2.037 -0.111 303 HE1 TYR 40 1HE TYR 40 5.393 5.875 2.564 304 HE2 TYR 40 2HE TYR 40 6.159 2.924 -0.408 305 HH TYR 40 HH TYR 40 7.341 5.051 -0.054 306 H ASP 41 H ASP 41 0.900 3.147 4.368 307 HA ASP 41 HA ASP 41 2.146 2.332 6.689 308 1HB ASP 41 2HB ASP 41 4.324 2.958 5.636 309 2HB ASP 41 1HB ASP 41 3.736 4.593 5.391 310 H ASN 42 H ASN 42 2.126 5.468 5.226 311 HA ASN 42 HA ASN 42 0.450 6.650 7.272 312 1HB ASN 42 2HB ASN 42 2.419 7.853 6.481 313 2HB ASN 42 1HB ASN 42 1.878 7.709 4.818 314 1HD2 ASN 42 1HD2 ASN 42 1.556 9.431 7.794 315 2HD2 ASN 42 2HD2 ASN 42 0.539 10.677 7.174 316 H TRP 43 H TRP 43 -1.728 6.897 6.918 317 HA TRP 43 HA TRP 43 -2.743 5.980 4.392 318 1HB TRP 43 2HB TRP 43 -5.037 6.264 5.500 319 2HB TRP 43 1HB TRP 43 -3.958 5.088 6.234 320 HD1 TRP 43 HD TRP 43 -5.585 8.457 6.860 321 HE1 TRP 43 1HE TRP 43 -5.375 9.033 9.370 322 HE3 TRP 43 3HE TRP 43 -2.519 4.652 8.302 323 HZ2 TRP 43 2HZ TRP 43 -4.094 7.993 11.646 324 HZ3 TRP 43 3HZ TRP 43 -1.845 4.505 10.666 325 HH2 TRP 43 HH TRP 43 -2.616 6.140 12.298 326 HA PRO 44 HA PRO 44 -3.157 9.596 2.082 327 1HB PRO 44 2HB PRO 44 -5.681 9.319 0.962 328 2HB PRO 44 1HB PRO 44 -4.200 8.559 0.374 329 1HG PRO 44 2HG PRO 44 -6.355 7.415 2.093 330 2HG PRO 44 1HG PRO 44 -5.425 6.645 0.790 331 1HD PRO 44 2HD PRO 44 -4.903 6.132 3.352 332 2HD PRO 44 1HD PRO 44 -3.617 6.235 2.154 333 H MET 45 H MET 45 -5.064 9.397 4.778 334 HA MET 45 HA MET 45 -6.696 11.714 4.288 335 1HB MET 45 2HB MET 45 -7.437 9.972 5.882 336 2HB MET 45 1HB MET 45 -6.046 10.333 6.897 337 1HG MET 45 2HG MET 45 -6.906 12.529 7.390 338 2HG MET 45 1HG MET 45 -8.253 12.286 6.285 339 1HE MET 45 1HE MET 45 -9.130 9.282 6.862 340 2HE MET 45 2HE MET 45 -10.263 10.623 6.719 341 3HE MET 45 3HE MET 45 -10.359 9.534 8.099 342 H ASP 46 H ASP 46 -3.470 11.136 5.412 343 HA ASP 46 HA ASP 46 -3.151 13.603 6.782 344 1HB ASP 46 2HB ASP 46 -1.123 11.638 5.745 345 2HB ASP 46 1HB ASP 46 -0.661 13.139 6.540 346 H TRP 47 H TRP 47 -2.875 12.725 3.470 347 HA TRP 47 HA TRP 47 -2.856 13.990 1.585 348 1HB TRP 47 2HB TRP 47 -4.309 15.573 2.878 349 2HB TRP 47 1HB TRP 47 -2.872 16.392 3.444 350 HD1 TRP 47 HD TRP 47 -1.349 17.495 1.238 351 HE1 TRP 47 1HE TRP 47 -2.312 18.846 -0.733 352 HE3 TRP 47 3HE TRP 47 -6.220 15.971 1.505 353 HZ2 TRP 47 2HZ TRP 47 -4.796 19.224 -1.996 354 HZ3 TRP 47 3HZ TRP 47 -7.827 16.888 -0.118 355 HH2 TRP 47 HH TRP 47 -7.126 18.481 -1.829 356 H GLU 48 H GLU 48 -0.974 13.599 0.581 357 HA GLU 48 HA GLU 48 1.458 14.874 1.549 358 1HB GLU 48 2HB GLU 48 1.001 12.679 -0.450 359 2HB GLU 48 1HB GLU 48 2.508 13.567 -0.427 360 1HG GLU 48 2HG GLU 48 2.796 11.530 0.764 361 2HG GLU 48 1HG GLU 48 2.838 12.859 1.903 362 H GLU 49 H GLU 49 1.949 16.799 0.841 363 HA GLU 49 HA GLU 49 1.030 17.637 -1.772 364 1HB GLU 49 2HB GLU 49 2.684 19.150 0.263 365 2HB GLU 49 1HB GLU 49 2.016 19.818 -1.215 366 1HG GLU 49 2HG GLU 49 -0.251 19.333 -0.347 367 2HG GLU 49 1HG GLU 49 0.482 18.813 1.168 368 H GLU 50 H GLU 50 2.157 16.584 -3.253 369 HA GLU 50 HA GLU 50 5.070 16.487 -3.081 370 1HB GLU 50 2HB GLU 50 3.913 14.385 -3.619 371 2HB GLU 50 1HB GLU 50 3.116 15.151 -4.977 372 1HG GLU 50 2HG GLU 50 4.962 13.687 -5.660 373 2HG GLU 50 1HG GLU 50 5.214 15.360 -6.152 374 H GLN 51 H GLN 51 6.345 17.217 -4.858 375 HA GLN 51 HA GLN 51 5.613 19.769 -5.835 376 1HB GLN 51 2HB GLN 51 7.784 17.883 -6.739 377 2HB GLN 51 1HB GLN 51 7.676 19.573 -7.204 378 1HG GLN 51 2HG GLN 51 7.993 20.234 -4.885 379 2HG GLN 51 1HG GLN 51 8.051 18.536 -4.409 380 1HE2 GLN 51 1HE2 GLN 51 10.047 20.625 -4.131 381 2HE2 GLN 51 2HE2 GLN 51 11.462 20.060 -4.940 382 H VAL 52 H VAL 52 6.152 16.714 -7.560 383 HA VAL 52 HA VAL 52 4.316 17.696 -9.570 384 HB VAL 52 HB VAL 52 6.469 17.141 -10.563 385 1HG1 VAL 52 1HG1 VAL 52 6.190 14.387 -9.389 386 2HG1 VAL 52 2HG1 VAL 52 7.358 15.619 -8.920 387 3HG1 VAL 52 3HG1 VAL 52 7.441 14.894 -10.526 388 1HG2 VAL 52 1HG2 VAL 52 4.429 15.021 -11.242 389 2HG2 VAL 52 2HG2 VAL 52 5.809 15.467 -12.246 390 3HG2 VAL 52 3HG2 VAL 52 4.528 16.640 -11.937 391 H SER 53 H SER 53 2.397 17.238 -8.761 392 HA SER 53 HA SER 53 1.874 14.616 -7.665 393 1HB SER 53 2HB SER 53 0.059 17.016 -8.005 394 2HB SER 53 1HB SER 53 -0.287 15.568 -7.060 395 HG SER 53 HG SER 53 2.095 16.816 -6.469 396 H SER 54 H SER 54 0.304 13.200 -8.580 397 HA SER 54 HA SER 54 -0.680 13.836 -11.224 398 1HB SER 54 2HB SER 54 1.057 11.437 -10.630 399 2HB SER 54 1HB SER 54 0.246 11.761 -12.161 400 HG SER 54 HG SER 54 1.801 13.802 -11.178 401 HA PRO 55 HA PRO 55 -3.835 11.245 -9.252 402 1HB PRO 55 2HB PRO 55 -5.528 11.630 -11.539 403 2HB PRO 55 1HB PRO 55 -5.700 12.362 -9.941 404 1HG PRO 55 2HG PRO 55 -5.066 13.779 -12.217 405 2HG PRO 55 1HG PRO 55 -4.623 14.290 -10.582 406 1HD PRO 55 2HD PRO 55 -2.977 12.934 -12.666 407 2HD PRO 55 1HD PRO 55 -2.530 14.224 -11.523 408 H ASN 56 H ASN 56 -2.710 10.914 -12.551 409 HA ASN 56 HA ASN 56 -4.066 8.440 -13.043 410 1HB ASN 56 2HB ASN 56 -1.978 9.886 -14.664 411 2HB ASN 56 1HB ASN 56 -2.698 8.367 -15.154 412 1HD2 ASN 56 1HD2 ASN 56 -3.582 9.254 -16.974 413 2HD2 ASN 56 2HD2 ASN 56 -4.930 10.316 -16.972 414 H ILE 57 H ILE 57 -1.449 8.963 -11.116 415 HA ILE 57 HA ILE 57 0.101 6.766 -11.969 416 HB ILE 57 HB ILE 57 1.345 7.156 -9.860 417 1HG1 ILE 57 2HG1 ILE 57 0.872 9.406 -8.703 418 2HG1 ILE 57 1HG1 ILE 57 -0.694 9.376 -9.485 419 1HG2 ILE 57 1HG2 ILE 57 2.270 9.325 -10.588 420 2HG2 ILE 57 2HG2 ILE 57 0.870 9.529 -11.643 421 3HG2 ILE 57 3HG2 ILE 57 2.006 8.211 -11.931 422 1HD1 ILE 57 1HD1 ILE 57 -0.838 8.659 -7.177 423 2HD1 ILE 57 2HD1 ILE 57 0.338 7.379 -7.477 424 3HD1 ILE 57 3HD1 ILE 57 -1.242 7.328 -8.260 425 H LEU 58 H LEU 58 -2.787 6.954 -10.399 426 HA LEU 58 HA LEU 58 -2.428 4.746 -8.588 427 1HB LEU 58 2HB LEU 58 -4.913 6.119 -9.576 428 2HB LEU 58 1HB LEU 58 -4.876 4.909 -8.324 429 HG LEU 58 HG LEU 58 -3.644 7.657 -8.162 430 1HD1 LEU 58 1HD1 LEU 58 -6.092 7.638 -8.143 431 2HD1 LEU 58 2HD1 LEU 58 -5.432 8.103 -6.585 432 3HD1 LEU 58 3HD1 LEU 58 -6.073 6.476 -6.817 433 1HD2 LEU 58 1HD2 LEU 58 -3.253 7.118 -5.809 434 2HD2 LEU 58 2HD2 LEU 58 -2.391 5.989 -6.844 435 3HD2 LEU 58 3HD2 LEU 58 -3.888 5.494 -6.057 436 H ARG 59 H ARG 59 -2.055 2.811 -9.570 437 HA ARG 59 HA ARG 59 -4.249 1.864 -11.205 438 1HB ARG 59 2HB ARG 59 -1.372 1.350 -11.925 439 2HB ARG 59 1HB ARG 59 -2.733 0.432 -12.545 440 1HG ARG 59 2HG ARG 59 -2.159 1.920 -14.276 441 2HG ARG 59 1HG ARG 59 -3.565 2.655 -13.508 442 1HD ARG 59 2HD ARG 59 -1.895 4.330 -13.978 443 2HD ARG 59 1HD ARG 59 -2.052 4.117 -12.231 444 HE ARG 59 HE ARG 59 -0.075 2.456 -12.760 445 1HH1 ARG 59 1HH1 ARG 59 -0.584 5.792 -13.750 446 2HH1 ARG 59 2HH1 ARG 59 1.063 6.151 -13.945 447 1HH2 ARG 59 1HH2 ARG 59 2.226 2.939 -13.001 448 2HH2 ARG 59 2HH2 ARG 59 2.688 4.489 -13.507 449 H LEU 60 H LEU 60 -4.670 -0.280 -11.059 450 HA LEU 60 HA LEU 60 -3.273 -1.556 -8.872 451 1HB LEU 60 2HB LEU 60 -5.420 -2.597 -8.236 452 2HB LEU 60 1HB LEU 60 -5.398 -0.864 -8.048 453 HG LEU 60 HG LEU 60 -6.567 -0.873 -10.371 454 1HD1 LEU 60 1HD1 LEU 60 -8.044 -2.764 -10.751 455 2HD1 LEU 60 2HD1 LEU 60 -7.245 -3.652 -9.453 456 3HD1 LEU 60 3HD1 LEU 60 -6.343 -3.195 -10.900 457 1HD2 LEU 60 1HD2 LEU 60 -7.516 -0.105 -8.250 458 2HD2 LEU 60 2HD2 LEU 60 -8.125 -1.765 -7.969 459 3HD2 LEU 60 3HD2 LEU 60 -8.687 -0.829 -9.331 460 H ILE 61 H ILE 61 -2.525 -3.478 -9.208 461 HA ILE 61 HA ILE 61 -3.077 -4.756 -11.757 462 HB ILE 61 HB ILE 61 -0.881 -5.113 -9.733 463 1HG1 ILE 61 2HG1 ILE 61 -0.762 -3.975 -12.507 464 2HG1 ILE 61 1HG1 ILE 61 -0.813 -3.009 -11.043 465 1HG2 ILE 61 1HG2 ILE 61 -1.239 -6.399 -12.463 466 2HG2 ILE 61 2HG2 ILE 61 -1.364 -7.226 -10.911 467 3HG2 ILE 61 3HG2 ILE 61 0.189 -6.580 -11.441 468 1HD1 ILE 61 1HD1 ILE 61 1.340 -4.018 -10.359 469 2HD1 ILE 61 2HD1 ILE 61 1.456 -3.187 -11.906 470 3HD1 ILE 61 3HD1 ILE 61 1.358 -4.947 -11.859 471 H TYR 62 H TYR 62 -4.288 -6.457 -11.686 472 HA TYR 62 HA TYR 62 -4.927 -7.575 -9.082 473 1HB TYR 62 2HB TYR 62 -6.820 -6.760 -10.471 474 2HB TYR 62 1HB TYR 62 -6.336 -7.851 -11.757 475 HD1 TYR 62 1HD TYR 62 -6.744 -8.383 -8.098 476 HD2 TYR 62 2HD TYR 62 -8.041 -9.408 -12.005 477 HE1 TYR 62 1HE TYR 62 -8.233 -10.037 -7.146 478 HE2 TYR 62 2HE TYR 62 -9.573 -11.084 -11.068 479 HH TYR 62 HH TYR 62 -10.350 -11.198 -7.800 480 H GLN 63 H GLN 63 -3.080 -8.672 -8.844 481 HA GLN 63 HA GLN 63 -1.645 -10.147 -8.813 482 1HB GLN 63 2HB GLN 63 -3.627 -11.653 -8.940 483 2HB GLN 63 1HB GLN 63 -3.286 -11.780 -10.677 484 1HG GLN 63 2HG GLN 63 -1.037 -12.259 -10.053 485 2HG GLN 63 1HG GLN 63 -1.531 -12.514 -8.412 486 1HE2 GLN 63 1HE2 GLN 63 -4.175 -13.598 -9.234 487 2HE2 GLN 63 2HE2 GLN 63 -3.896 -15.226 -9.702 488 H GLY 64 H GLY 64 -2.788 -10.325 -12.190 489 1HA GLY 64 2HA GLY 64 0.002 -9.776 -12.978 490 2HA GLY 64 1HA GLY 64 -0.950 -11.003 -13.786 491 H ARG 65 H ARG 65 -3.259 -8.777 -13.435 492 HA ARG 65 HA ARG 65 -2.358 -7.279 -15.823 493 1HB ARG 65 2HB ARG 65 -4.489 -7.416 -16.898 494 2HB ARG 65 1HB ARG 65 -4.120 -9.043 -16.374 495 1HG ARG 65 2HG ARG 65 -5.934 -7.172 -14.848 496 2HG ARG 65 1HG ARG 65 -6.512 -8.299 -16.062 497 1HD ARG 65 2HD ARG 65 -4.991 -9.111 -13.581 498 2HD ARG 65 1HD ARG 65 -6.746 -9.042 -13.688 499 HE ARG 65 HE ARG 65 -5.928 -10.575 -15.793 500 1HH1 ARG 65 1HH1 ARG 65 -5.529 -10.817 -12.267 501 2HH1 ARG 65 2HH1 ARG 65 -5.711 -12.492 -12.221 502 1HH2 ARG 65 1HH2 ARG 65 -6.193 -12.899 -15.718 503 2HH2 ARG 65 2HH2 ARG 65 -6.081 -13.717 -14.223 504 H PHE 66 H PHE 66 -3.024 -5.096 -16.019 505 HA PHE 66 HA PHE 66 -3.794 -3.802 -13.527 506 1HB PHE 66 2HB PHE 66 -3.355 -2.653 -16.305 507 2HB PHE 66 1HB PHE 66 -3.572 -1.706 -14.846 508 HD1 PHE 66 1HD PHE 66 -1.666 -1.071 -13.559 509 HD2 PHE 66 2HD PHE 66 -1.301 -4.122 -16.519 510 HE1 PHE 66 1HE PHE 66 0.760 -1.013 -13.319 511 HE2 PHE 66 2HE PHE 66 1.144 -4.063 -16.265 512 HZ PHE 66 HZ PHE 66 2.175 -2.508 -14.669 513 H LEU 67 H LEU 67 -5.929 -3.823 -13.059 514 HA LEU 67 HA LEU 67 -7.806 -4.081 -15.250 515 1HB LEU 67 2HB LEU 67 -8.312 -4.240 -12.302 516 2HB LEU 67 1HB LEU 67 -9.636 -4.144 -13.445 517 HG LEU 67 HG LEU 67 -7.564 -6.368 -13.337 518 1HD1 LEU 67 1HD1 LEU 67 -9.103 -6.468 -11.475 519 2HD1 LEU 67 2HD1 LEU 67 -9.484 -7.743 -12.617 520 3HD1 LEU 67 3HD1 LEU 67 -10.477 -6.289 -12.544 521 1HD2 LEU 67 1HD2 LEU 67 -9.001 -7.466 -14.986 522 2HD2 LEU 67 2HD2 LEU 67 -8.337 -5.970 -15.625 523 3HD2 LEU 67 3HD2 LEU 67 -10.016 -6.029 -15.070 524 H HIS 68 H HIS 68 -7.297 -1.562 -12.807 525 HA HIS 68 HA HIS 68 -8.012 0.433 -14.657 526 1HB HIS 68 2HB HIS 68 -10.316 -0.660 -13.852 527 2HB HIS 68 1HB HIS 68 -10.011 0.282 -12.398 528 HD1 HIS 68 1HD HIS 68 -11.023 2.686 -12.477 529 HD2 HIS 68 2HD HIS 68 -10.340 1.035 -16.244 530 HE1 HIS 68 1HE HIS 68 -11.922 4.315 -14.074 531 HE2 HIS 68 2HE HIS 68 -11.521 3.351 -16.358 532 H GLY 69 H GLY 69 -8.254 2.607 -13.226 533 1HA GLY 69 2HA GLY 69 -5.997 2.515 -11.469 534 2HA GLY 69 1HA GLY 69 -6.822 3.938 -12.049 535 H ASN 70 H ASN 70 -9.134 1.855 -10.698 536 HA ASN 70 HA ASN 70 -8.909 2.701 -7.962 537 1HB ASN 70 2HB ASN 70 -10.629 4.429 -7.928 538 2HB ASN 70 1HB ASN 70 -9.332 4.902 -9.016 539 1HD2 ASN 70 1HD2 ASN 70 -12.085 5.807 -8.949 540 2HD2 ASN 70 2HD2 ASN 70 -12.755 5.472 -10.499 541 H VAL 71 H VAL 71 -9.855 0.425 -9.797 542 HA VAL 71 HA VAL 71 -12.702 0.305 -9.311 543 HB VAL 71 HB VAL 71 -11.748 -0.579 -11.428 544 1HG1 VAL 71 1HG1 VAL 71 -10.670 -2.778 -11.449 545 2HG1 VAL 71 2HG1 VAL 71 -10.401 -2.585 -9.703 546 3HG1 VAL 71 3HG1 VAL 71 -9.705 -1.436 -10.857 547 1HG2 VAL 71 1HG2 VAL 71 -12.964 -2.685 -11.529 548 2HG2 VAL 71 2HG2 VAL 71 -13.890 -1.420 -10.703 549 3HG2 VAL 71 3HG2 VAL 71 -13.064 -2.680 -9.770 550 H THR 72 H THR 72 -13.810 -1.182 -8.062 551 HA THR 72 HA THR 72 -12.598 -1.478 -5.517 552 HB THR 72 HB THR 72 -14.904 -2.280 -4.939 553 HG1 THR 72 1HG THR 72 -16.455 -2.188 -6.561 554 1HG2 THR 72 1HG2 THR 72 -14.721 0.324 -6.470 555 2HG2 THR 72 2HG2 THR 72 -14.294 0.098 -4.774 556 3HG2 THR 72 3HG2 THR 72 -15.968 -0.089 -5.293 557 H LEU 73 H LEU 73 -12.674 -3.511 -4.303 558 HA LEU 73 HA LEU 73 -11.515 -5.640 -5.749 559 1HB LEU 73 2HB LEU 73 -12.669 -5.763 -2.976 560 2HB LEU 73 1HB LEU 73 -11.508 -6.851 -3.687 561 HG LEU 73 HG LEU 73 -10.249 -5.629 -2.283 562 1HD1 LEU 73 1HD1 LEU 73 -9.952 -4.203 -4.876 563 2HD1 LEU 73 2HD1 LEU 73 -9.148 -5.683 -4.355 564 3HD1 LEU 73 3HD1 LEU 73 -8.792 -4.150 -3.554 565 1HD2 LEU 73 1HD2 LEU 73 -10.302 -3.227 -1.934 566 2HD2 LEU 73 2HD2 LEU 73 -11.860 -3.968 -1.581 567 3HD2 LEU 73 3HD2 LEU 73 -11.623 -3.069 -3.080 568 H GLY 74 H GLY 74 -14.771 -5.031 -4.570 569 1HA GLY 74 2HA GLY 74 -15.844 -7.584 -5.053 570 2HA GLY 74 1HA GLY 74 -16.755 -6.077 -5.079 571 H ALA 75 H ALA 75 -15.203 -4.878 -7.178 572 HA ALA 75 HA ALA 75 -16.622 -5.935 -9.412 573 1HB ALA 75 1HB ALA 75 -16.330 -3.536 -9.125 574 2HB ALA 75 2HB ALA 75 -15.580 -4.063 -10.638 575 3HB ALA 75 3HB ALA 75 -14.587 -3.718 -9.230 576 H LEU 76 H LEU 76 -13.560 -6.525 -8.049 577 HA LEU 76 HA LEU 76 -12.194 -7.364 -10.479 578 1HB LEU 76 2HB LEU 76 -11.512 -8.034 -7.631 579 2HB LEU 76 1HB LEU 76 -10.451 -8.085 -9.010 580 HG LEU 76 HG LEU 76 -11.556 -5.572 -7.753 581 1HD1 LEU 76 1HD1 LEU 76 -9.318 -5.297 -6.920 582 2HD1 LEU 76 2HD1 LEU 76 -8.838 -6.809 -7.682 583 3HD1 LEU 76 3HD1 LEU 76 -9.988 -6.829 -6.351 584 1HD2 LEU 76 1HD2 LEU 76 -11.024 -5.391 -10.175 585 2HD2 LEU 76 2HD2 LEU 76 -9.376 -5.931 -9.747 586 3HD2 LEU 76 3HD2 LEU 76 -9.996 -4.424 -9.111 587 H LYS 77 H LYS 77 -14.687 -8.533 -8.843 588 HA LYS 77 HA LYS 77 -15.795 -10.390 -8.630 589 1HB LYS 77 2HB LYS 77 -13.707 -11.765 -10.356 590 2HB LYS 77 1HB LYS 77 -15.172 -12.541 -9.797 591 1HG LYS 77 2HG LYS 77 -15.528 -11.937 -12.045 592 2HG LYS 77 1HG LYS 77 -16.445 -10.774 -11.092 593 1HD LYS 77 2HD LYS 77 -14.615 -9.155 -11.353 594 2HD LYS 77 1HD LYS 77 -13.718 -10.312 -12.327 595 1HE LYS 77 2HE LYS 77 -16.419 -9.116 -12.993 596 2HE LYS 77 1HE LYS 77 -14.883 -8.703 -13.746 597 1HZ LYS 77 1HZ LYS 77 -14.746 -10.964 -14.610 598 2HZ LYS 77 2HZ LYS 77 -16.172 -10.236 -15.101 599 3HZ LYS 77 3HZ LYS 77 -16.200 -11.356 -13.864 600 H LEU 78 H LEU 78 -15.262 -10.085 -6.463 601 HA LEU 78 HA LEU 78 -13.800 -12.379 -5.439 602 1HB LEU 78 2HB LEU 78 -13.664 -9.571 -4.394 603 2HB LEU 78 1HB LEU 78 -13.433 -10.924 -3.320 604 HG LEU 78 HG LEU 78 -11.469 -11.616 -4.679 605 1HD1 LEU 78 1HD1 LEU 78 -12.073 -10.661 -6.773 606 2HD1 LEU 78 2HD1 LEU 78 -10.500 -10.026 -6.246 607 3HD1 LEU 78 3HD1 LEU 78 -11.972 -9.044 -6.084 608 1HD2 LEU 78 1HD2 LEU 78 -10.010 -9.808 -3.903 609 2HD2 LEU 78 2HD2 LEU 78 -11.170 -10.344 -2.691 610 3HD2 LEU 78 3HD2 LEU 78 -11.444 -8.833 -3.559 611 HA PRO 79 HA PRO 79 -17.704 -13.015 -3.351 612 1HB PRO 79 2HB PRO 79 -16.332 -15.504 -2.588 613 2HB PRO 79 1HB PRO 79 -17.853 -15.313 -3.461 614 1HG PRO 79 2HG PRO 79 -15.575 -16.213 -4.627 615 2HG PRO 79 1HG PRO 79 -16.831 -15.327 -5.508 616 1HD PRO 79 2HD PRO 79 -14.162 -14.340 -4.540 617 2HD PRO 79 1HD PRO 79 -15.104 -13.896 -5.965 618 H PHE 80 H PHE 80 -18.017 -13.125 -1.034 619 HA PHE 80 HA PHE 80 -15.937 -11.804 0.418 620 1HB PHE 80 2HB PHE 80 -18.321 -13.200 1.628 621 2HB PHE 80 1HB PHE 80 -17.368 -11.901 2.323 622 HD1 PHE 80 1HD PHE 80 -20.401 -12.374 1.616 623 HD2 PHE 80 2HD PHE 80 -17.264 -10.043 -0.007 624 HE1 PHE 80 1HE PHE 80 -22.073 -10.789 0.692 625 HE2 PHE 80 2HE PHE 80 -18.898 -8.448 -0.924 626 HZ PHE 80 HZ PHE 80 -21.310 -8.823 -0.571 627 H GLY 81 H GLY 81 -14.597 -12.630 1.998 628 1HA GLY 81 2HA GLY 81 -13.724 -14.261 3.422 629 2HA GLY 81 1HA GLY 81 -14.842 -15.426 2.743 630 H LYS 82 H LYS 82 -13.200 -13.745 0.320 631 HA LYS 82 HA LYS 82 -11.441 -16.062 -0.032 632 1HB LYS 82 2HB LYS 82 -12.216 -13.913 -2.005 633 2HB LYS 82 1HB LYS 82 -11.180 -15.282 -2.350 634 1HG LYS 82 2HG LYS 82 -14.094 -15.441 -1.587 635 2HG LYS 82 1HG LYS 82 -13.437 -15.606 -3.212 636 1HD LYS 82 2HD LYS 82 -12.180 -17.576 -2.491 637 2HD LYS 82 1HD LYS 82 -12.878 -17.425 -0.875 638 1HE LYS 82 2HE LYS 82 -15.119 -17.698 -1.822 639 2HE LYS 82 1HE LYS 82 -14.419 -17.853 -3.431 640 1HZ LYS 82 1HZ LYS 82 -14.963 -19.994 -2.455 641 2HZ LYS 82 2HZ LYS 82 -13.920 -19.704 -1.165 642 3HZ LYS 82 3HZ LYS 82 -13.305 -19.882 -2.711 643 H THR 83 H THR 83 -9.292 -15.874 -0.068 644 HA THR 83 HA THR 83 -8.120 -13.279 0.595 645 HB THR 83 HB THR 83 -6.838 -16.034 0.464 646 HG1 THR 83 1HG THR 83 -8.062 -16.264 2.206 647 1HG2 THR 83 1HG2 THR 83 -5.904 -13.459 1.759 648 2HG2 THR 83 2HG2 THR 83 -5.263 -14.148 0.269 649 3HG2 THR 83 3HG2 THR 83 -5.050 -15.005 1.798 650 H THR 84 H THR 84 -7.422 -12.043 -0.896 651 HA THR 84 HA THR 84 -6.553 -13.277 -3.415 652 HB THR 84 HB THR 84 -8.299 -10.819 -3.152 653 HG1 THR 84 1HG THR 84 -9.380 -12.731 -2.639 654 1HG2 THR 84 1HG2 THR 84 -7.432 -12.420 -5.567 655 2HG2 THR 84 2HG2 THR 84 -6.888 -10.783 -5.168 656 3HG2 THR 84 3HG2 THR 84 -8.585 -11.093 -5.564 657 H VAL 85 H VAL 85 -4.736 -12.420 -4.288 658 HA VAL 85 HA VAL 85 -3.443 -10.221 -2.864 659 HB VAL 85 HB VAL 85 -2.162 -12.319 -2.941 660 1HG1 VAL 85 1HG1 VAL 85 -1.276 -13.202 -5.060 661 2HG1 VAL 85 2HG1 VAL 85 -2.259 -12.024 -5.937 662 3HG1 VAL 85 3HG1 VAL 85 -3.038 -13.278 -4.981 663 1HG2 VAL 85 1HG2 VAL 85 -0.957 -10.169 -4.675 664 2HG2 VAL 85 2HG2 VAL 85 -0.053 -11.455 -3.878 665 3HG2 VAL 85 3HG2 VAL 85 -0.899 -10.240 -2.914 666 H MET 86 H MET 86 -2.827 -8.341 -3.844 667 HA MET 86 HA MET 86 -3.121 -8.131 -6.751 668 1HB MET 86 2HB MET 86 -4.054 -6.117 -4.718 669 2HB MET 86 1HB MET 86 -4.003 -5.872 -6.453 670 1HG MET 86 2HG MET 86 -5.603 -7.674 -6.736 671 2HG MET 86 1HG MET 86 -5.689 -7.867 -4.986 672 1HE MET 86 1HE MET 86 -6.427 -5.563 -8.032 673 2HE MET 86 2HE MET 86 -5.388 -4.494 -7.074 674 3HE MET 86 3HE MET 86 -7.106 -4.140 -7.260 675 H HIS 87 H HIS 87 -1.810 -6.517 -7.665 676 HA HIS 87 HA HIS 87 0.425 -5.738 -5.930 677 1HB HIS 87 2HB HIS 87 0.432 -6.208 -8.944 678 2HB HIS 87 1HB HIS 87 1.739 -5.467 -8.009 679 HD1 HIS 87 1HD HIS 87 3.595 -7.077 -7.642 680 HD2 HIS 87 2HD HIS 87 -0.097 -9.034 -7.673 681 HE1 HIS 87 1HE HIS 87 4.091 -9.480 -7.271 682 HE2 HIS 87 2HE HIS 87 1.868 -10.581 -7.041 683 H LEU 88 H LEU 88 0.844 -3.571 -5.717 684 HA LEU 88 HA LEU 88 -0.945 -1.867 -7.281 685 1HB LEU 88 2HB LEU 88 -0.031 -1.536 -4.423 686 2HB LEU 88 1HB LEU 88 -0.897 -0.318 -5.325 687 HG LEU 88 HG LEU 88 -2.417 -1.405 -3.832 688 1HD1 LEU 88 1HD1 LEU 88 -3.346 -0.760 -5.947 689 2HD1 LEU 88 2HD1 LEU 88 -4.128 -2.218 -5.334 690 3HD1 LEU 88 3HD1 LEU 88 -2.944 -2.336 -6.631 691 1HD2 LEU 88 1HD2 LEU 88 -1.264 -3.508 -3.462 692 2HD2 LEU 88 2HD2 LEU 88 -1.604 -4.005 -5.117 693 3HD2 LEU 88 3HD2 LEU 88 -2.927 -3.816 -3.972 694 H VAL 89 H VAL 89 -0.176 -0.011 -8.125 695 HA VAL 89 HA VAL 89 2.670 0.459 -7.728 696 HB VAL 89 HB VAL 89 2.765 1.331 -10.084 697 1HG1 VAL 89 1HG1 VAL 89 3.492 -0.959 -9.616 698 2HG1 VAL 89 2HG1 VAL 89 2.708 -0.861 -11.203 699 3HG1 VAL 89 3HG1 VAL 89 1.835 -1.524 -9.831 700 1HG2 VAL 89 1HG2 VAL 89 0.963 0.767 -11.647 701 2HG2 VAL 89 2HG2 VAL 89 0.374 1.839 -10.373 702 3HG2 VAL 89 3HG2 VAL 89 0.015 0.110 -10.317 703 H ALA 90 H ALA 90 3.245 2.465 -7.179 704 HA ALA 90 HA ALA 90 1.306 4.623 -7.419 705 1HB ALA 90 1HB ALA 90 2.868 3.958 -4.915 706 2HB ALA 90 2HB ALA 90 1.129 3.756 -5.128 707 3HB ALA 90 3HB ALA 90 1.837 5.370 -5.143 708 H ARG 91 H ARG 91 2.222 6.411 -8.192 709 HA ARG 91 HA ARG 91 5.145 6.640 -8.070 710 1HB ARG 91 2HB ARG 91 3.277 7.389 -10.322 711 2HB ARG 91 1HB ARG 91 4.969 7.840 -10.274 712 1HG ARG 91 2HG ARG 91 5.594 5.457 -10.263 713 2HG ARG 91 1HG ARG 91 3.885 5.027 -10.348 714 1HD ARG 91 2HD ARG 91 3.703 6.184 -12.485 715 2HD ARG 91 1HD ARG 91 5.411 6.623 -12.400 716 HE ARG 91 HE ARG 91 5.310 3.901 -12.110 717 1HH1 ARG 91 1HH1 ARG 91 4.332 6.195 -14.649 718 2HH1 ARG 91 2HH1 ARG 91 4.657 5.110 -15.910 719 1HH2 ARG 91 1HH2 ARG 91 5.708 2.435 -13.862 720 2HH2 ARG 91 2HH2 ARG 91 5.428 2.925 -15.471 721 H GLU 92 H GLU 92 5.850 8.507 -7.190 722 HA GLU 92 HA GLU 92 5.943 10.583 -6.364 723 1HB GLU 92 2HB GLU 92 3.610 11.089 -8.213 724 2HB GLU 92 1HB GLU 92 4.278 12.348 -7.196 725 1HG GLU 92 2HG GLU 92 5.115 12.520 -9.470 726 2HG GLU 92 1HG GLU 92 6.427 12.151 -8.361 727 H THR 93 H THR 93 3.181 8.768 -5.918 728 HA THR 93 HA THR 93 1.886 8.370 -4.129 729 HB THR 93 HB THR 93 3.351 10.654 -2.760 730 HG1 THR 93 1HG THR 93 4.750 9.034 -3.138 731 1HG2 THR 93 1HG2 THR 93 2.485 9.704 -0.669 732 2HG2 THR 93 2HG2 THR 93 1.601 8.477 -1.581 733 3HG2 THR 93 3HG2 THR 93 1.149 10.178 -1.720 734 H LEU 94 H LEU 94 -0.176 8.972 -3.492 735 HA LEU 94 HA LEU 94 -1.309 10.993 -5.160 736 1HB LEU 94 2HB LEU 94 -2.292 8.710 -4.659 737 2HB LEU 94 1HB LEU 94 -2.620 9.389 -3.049 738 HG LEU 94 HG LEU 94 -4.076 11.049 -4.056 739 1HD1 LEU 94 1HD1 LEU 94 -3.076 11.170 -6.290 740 2HD1 LEU 94 2HD1 LEU 94 -4.791 10.793 -6.388 741 3HD1 LEU 94 3HD1 LEU 94 -3.600 9.522 -6.614 742 1HD2 LEU 94 1HD2 LEU 94 -5.900 9.488 -4.596 743 2HD2 LEU 94 2HD2 LEU 94 -4.992 9.005 -3.166 744 3HD2 LEU 94 3HD2 LEU 94 -4.723 8.174 -4.693 745 HA PRO 95 HA PRO 95 -1.198 14.038 -1.840 746 1HB PRO 95 2HB PRO 95 -3.021 15.577 -3.507 747 2HB PRO 95 1HB PRO 95 -1.359 15.957 -3.050 748 1HG PRO 95 2HG PRO 95 -2.143 15.244 -5.576 749 2HG PRO 95 1HG PRO 95 -0.506 15.030 -4.938 750 1HD PRO 95 2HD PRO 95 -2.634 12.939 -5.349 751 2HD PRO 95 1HD PRO 95 -0.859 12.856 -5.384 752 H GLU 96 H GLU 96 -4.272 13.775 -3.653 753 HA GLU 96 HA GLU 96 -5.586 13.524 -1.096 754 1HB GLU 96 2HB GLU 96 -7.619 14.567 -2.110 755 2HB GLU 96 1HB GLU 96 -6.251 15.655 -1.988 756 1HG GLU 96 2HG GLU 96 -7.175 14.246 -4.500 757 2HG GLU 96 1HG GLU 96 -7.540 15.912 -4.073 758 HA PRO 97 HA PRO 97 -6.764 9.460 -2.076 759 1HB PRO 97 2HB PRO 97 -9.284 9.650 -0.775 760 2HB PRO 97 1HB PRO 97 -7.788 8.989 -0.119 761 1HG PRO 97 2HG PRO 97 -9.015 11.648 0.274 762 2HG PRO 97 1HG PRO 97 -7.916 10.751 1.330 763 1HD PRO 97 2HD PRO 97 -7.170 12.916 -0.082 764 2HD PRO 97 1HD PRO 97 -6.041 11.599 0.290 765 H ASN 98 H ASN 98 -9.433 11.838 -2.413 766 HA ASN 98 HA ASN 98 -9.787 11.140 -5.152 767 1HB ASN 98 2HB ASN 98 -10.902 9.164 -4.139 768 2HB ASN 98 1HB ASN 98 -12.018 10.244 -3.308 769 1HD2 ASN 98 1HD2 ASN 98 -13.794 9.300 -4.343 770 2HD2 ASN 98 2HD2 ASN 98 -14.156 9.599 -5.999 771 H SER 99 H SER 99 -11.963 12.247 -2.543 772 HA SER 99 HA SER 99 -12.091 14.959 -3.444 773 1HB SER 99 2HB SER 99 -14.415 14.870 -4.338 774 2HB SER 99 1HB SER 99 -13.271 13.972 -5.336 775 HG SER 99 HG SER 99 -14.813 12.541 -5.119 776 H GLN 100 H GLN 100 -11.998 13.194 -0.994 777 HA GLN 100 HA GLN 100 -14.476 13.096 0.292 778 1HB GLN 100 2HB GLN 100 -11.679 13.126 1.414 779 2HB GLN 100 1HB GLN 100 -13.108 12.882 2.396 780 1HG GLN 100 2HG GLN 100 -12.021 10.786 1.927 781 2HG GLN 100 1HG GLN 100 -13.609 10.836 1.170 782 1HE2 GLN 100 1HE2 GLN 100 -13.084 9.252 -0.279 783 2HE2 GLN 100 2HE2 GLN 100 -12.007 9.444 -1.598 784 H GLY 101 H GLY 101 -11.828 15.449 0.623 785 1HA GLY 101 2HA GLY 101 -11.755 17.532 1.594 786 2HA GLY 101 1HA GLY 101 -13.417 17.682 1.033 787 H GLN 102 H GLN 102 -12.487 15.215 3.295 788 HA GLN 102 HA GLN 102 -13.735 16.689 5.488 789 1HB GLN 102 2HB GLN 102 -14.351 13.868 4.602 790 2HB GLN 102 1HB GLN 102 -14.743 14.478 6.201 791 1HG GLN 102 2HG GLN 102 -15.771 15.635 3.616 792 2HG GLN 102 1HG GLN 102 -16.647 14.479 4.624 793 1HE2 GLN 102 1HE2 GLN 102 -15.508 17.743 4.332 794 2HE2 GLN 102 2HE2 GLN 102 -16.442 18.413 5.616 795 H ARG 103 H ARG 103 -12.890 16.316 7.435 796 HA ARG 103 HA ARG 103 -10.597 14.493 7.625 797 1HB ARG 103 2HB ARG 103 -11.231 17.013 9.195 798 2HB ARG 103 1HB ARG 103 -9.825 15.995 9.422 799 1HG ARG 103 2HG ARG 103 -9.006 16.601 7.214 800 2HG ARG 103 1HG ARG 103 -10.451 17.574 6.935 801 1HD ARG 103 2HD ARG 103 -8.575 18.978 7.631 802 2HD ARG 103 1HD ARG 103 -9.866 18.994 8.836 803 HE ARG 103 HE ARG 103 -7.664 17.131 9.184 804 1HH1 ARG 103 1HH1 ARG 103 -9.210 20.146 10.211 805 2HH1 ARG 103 2HH1 ARG 103 -8.371 20.240 11.677 806 1HH2 ARG 103 1HH2 ARG 103 -6.514 17.245 11.187 807 2HH2 ARG 103 2HH2 ARG 103 -6.769 18.553 12.240 808 H ASN 104 H ASN 104 -10.460 14.221 10.288 809 HA ASN 104 HA ASN 104 -12.830 12.817 10.971 810 1HB ASN 104 2HB ASN 104 -10.465 13.610 12.675 811 2HB ASN 104 1HB ASN 104 -11.819 12.685 13.290 812 1HD2 ASN 104 1HD2 ASN 104 -8.996 12.020 13.010 813 2HD2 ASN 104 2HD2 ASN 104 -8.929 10.551 12.109 814 H ARG 105 H ARG 105 -14.592 13.850 11.169 815 HA ARG 105 HA ARG 105 -14.815 16.480 12.179 816 1HB ARG 105 2HB ARG 105 -16.399 15.572 10.514 817 2HB ARG 105 1HB ARG 105 -16.929 14.360 11.659 818 1HG ARG 105 2HG ARG 105 -17.268 17.280 12.249 819 2HG ARG 105 1HG ARG 105 -18.412 16.420 11.219 820 1HD ARG 105 2HD ARG 105 -17.681 15.589 14.026 821 2HD ARG 105 1HD ARG 105 -19.085 16.576 13.619 822 HE ARG 105 HE ARG 105 -19.038 14.189 12.097 823 1HH1 ARG 105 1HH1 ARG 105 -19.696 15.295 15.407 824 2HH1 ARG 105 2HH1 ARG 105 -20.949 14.174 15.661 825 1HH2 ARG 105 1HH2 ARG 105 -20.770 12.648 12.482 826 2HH2 ARG 105 2HH2 ARG 105 -21.563 12.664 13.986 827 H GLU 106 H GLU 106 -15.319 13.292 13.490 828 HA GLU 106 HA GLU 106 -15.230 12.431 15.536 829 1HB GLU 106 2HB GLU 106 -14.153 15.111 16.413 830 2HB GLU 106 1HB GLU 106 -14.119 13.640 17.367 831 1HG GLU 106 2HG GLU 106 -12.657 12.599 15.694 832 2HG GLU 106 1HG GLU 106 -12.715 14.083 14.746 833 H LYS 107 H LYS 107 -16.021 15.718 16.473 834 HA LYS 107 HA LYS 107 -18.641 14.798 17.403 835 1HB LYS 107 2HB LYS 107 -17.069 14.510 19.272 836 2HB LYS 107 1HB LYS 107 -16.613 16.195 19.149 837 1HG LYS 107 2HG LYS 107 -18.109 15.896 21.004 838 2HG LYS 107 1HG LYS 107 -18.916 16.831 19.750 839 1HD LYS 107 2HD LYS 107 -20.136 14.862 19.023 840 2HD LYS 107 1HD LYS 107 -19.267 13.861 20.187 841 1HE LYS 107 2HE LYS 107 -21.103 16.164 20.863 842 2HE LYS 107 1HE LYS 107 -21.511 14.456 20.987 843 1HZ LYS 107 1HZ LYS 107 -19.366 15.828 22.532 844 2HZ LYS 107 2HZ LYS 107 -19.800 14.208 22.672 845 3HZ LYS 107 3HZ LYS 107 -20.880 15.407 23.117 846 H THR 108 H THR 108 -16.379 17.527 17.033 847 HA THR 108 HA THR 108 -18.065 19.646 17.406 848 HB THR 108 HB THR 108 -16.427 20.892 15.936 849 HG1 THR 108 1HG THR 108 -14.515 19.066 15.799 850 1HG2 THR 108 1HG2 THR 108 -16.066 20.643 18.357 851 2HG2 THR 108 2HG2 THR 108 -14.539 20.598 17.477 852 3HG2 THR 108 3HG2 THR 108 -15.259 19.103 18.070 853 H GLY 109 H GLY 109 -19.694 20.545 16.306 854 1HA GLY 109 2HA GLY 109 -20.817 21.356 14.425 855 2HA GLY 109 1HA GLY 109 -19.840 20.303 13.415 856 H GLU 110 H GLU 110 -20.206 17.941 14.555 857 HA GLU 110 HA GLU 110 -21.445 16.099 14.429 858 1HB GLU 110 2HB GLU 110 -22.440 16.898 16.489 859 2HB GLU 110 1HB GLU 110 -23.604 17.863 15.597 860 1HG GLU 110 2HG GLU 110 -24.567 15.796 16.534 861 2HG GLU 110 1HG GLU 110 -24.684 15.879 14.778 862 H SER 111 H SER 111 -21.289 15.819 12.300 863 HA SER 111 HA SER 111 -23.635 16.568 10.764 864 1HB SER 111 2HB SER 111 -20.859 15.855 9.786 865 2HB SER 111 1HB SER 111 -22.232 16.295 8.766 866 HG SER 111 HG SER 111 -22.137 18.242 10.419 867 H ASN 112 H ASN 112 -24.914 14.988 11.287 868 HA ASN 112 HA ASN 112 -24.936 12.562 9.925 869 1HB ASN 112 2HB ASN 112 -23.239 11.850 11.648 870 2HB ASN 112 1HB ASN 112 -24.360 12.301 12.918 871 1HD2 ASN 112 1HD2 ASN 112 -23.132 9.724 12.383 872 2HD2 ASN 112 2HD2 ASN 112 -24.417 8.594 12.132 873 H CYS 113 H CYS 113 -25.730 13.825 13.092 874 HA CYS 113 HA CYS 113 -28.377 14.525 12.369 875 1HB CYS 113 2HB CYS 113 -28.681 12.087 12.716 876 2HB CYS 113 1HB CYS 113 -27.965 12.223 14.313 877 HG CYS 113 HG CYS 113 -30.881 13.805 13.426 878 H CYS 114 H CYS 114 -27.993 16.518 13.136 879 HA CYS 114 HA CYS 114 -26.487 17.347 15.283 880 1HB CYS 114 2HB CYS 114 -29.071 18.569 14.291 881 2HB CYS 114 1HB CYS 114 -27.834 19.397 15.229 882 HG CYS 114 HG CYS 114 -26.093 19.752 13.351 883 H VAL 115 H VAL 115 -30.033 16.995 15.311 884 HA VAL 115 HA VAL 115 -29.952 15.981 18.027 885 HB VAL 115 HB VAL 115 -31.918 17.380 18.650 886 1HG1 VAL 115 1HG1 VAL 115 -29.565 19.055 17.786 887 2HG1 VAL 115 2HG1 VAL 115 -29.742 18.205 19.322 888 3HG1 VAL 115 3HG1 VAL 115 -30.810 19.552 18.933 889 1HG2 VAL 115 1HG2 VAL 115 -31.446 18.812 16.032 890 2HG2 VAL 115 2HG2 VAL 115 -32.596 19.303 17.280 891 3HG2 VAL 115 3HG2 VAL 115 -32.823 17.782 16.421 892 H ILE 116 H ILE 116 -32.061 14.857 18.464 893 HA ILE 116 HA ILE 116 -32.792 13.505 16.069 894 HB ILE 116 HB ILE 116 -34.327 12.105 17.479 895 1HG1 ILE 116 2HG1 ILE 116 -33.094 13.626 19.789 896 2HG1 ILE 116 1HG1 ILE 116 -34.771 13.774 19.275 897 1HG2 ILE 116 1HG2 ILE 116 -32.088 11.376 16.981 898 2HG2 ILE 116 2HG2 ILE 116 -32.526 10.905 18.624 899 3HG2 ILE 116 3HG2 ILE 116 -31.459 12.283 18.357 900 1HD1 ILE 116 1HD1 ILE 116 -33.439 11.303 20.361 901 2HD1 ILE 116 2HD1 ILE 116 -35.118 11.414 19.836 902 3HD1 ILE 116 3HD1 ILE 116 -34.566 12.344 21.228 903 H LEU 117 H LEU 117 -33.705 14.867 14.780 904 HA LEU 117 HA LEU 117 -36.469 15.549 15.342 905 1HB LEU 117 2HB LEU 117 -34.947 17.549 15.694 906 2HB LEU 117 1HB LEU 117 -34.428 17.392 14.036 907 HG LEU 117 HG LEU 117 -35.994 19.254 14.363 908 1HD1 LEU 117 1HD1 LEU 117 -35.981 18.260 12.174 909 2HD1 LEU 117 2HD1 LEU 117 -37.609 18.790 12.595 910 3HD1 LEU 117 3HD1 LEU 117 -37.188 17.077 12.677 911 1HD2 LEU 117 1HD2 LEU 117 -37.978 17.148 15.192 912 2HD2 LEU 117 2HD2 LEU 117 -38.357 18.838 14.873 913 3HD2 LEU 117 3HD2 LEU 117 -37.292 18.419 16.208 Start of MODEL 6 1 H SER 2 H SER 2 -9.909 -10.131 11.698 2 HA SER 2 HA SER 2 -12.018 -9.888 13.527 3 1HB SER 2 2HB SER 2 -13.138 -8.868 11.495 4 2HB SER 2 1HB SER 2 -12.820 -10.359 10.615 5 HG SER 2 HG SER 2 -14.570 -9.890 12.779 6 H SER 3 H SER 3 -13.293 -12.166 13.283 7 HA SER 3 HA SER 3 -11.211 -14.160 13.324 8 1HB SER 3 2HB SER 3 -13.079 -15.684 14.009 9 2HB SER 3 1HB SER 3 -12.912 -14.272 15.048 10 HG SER 3 HG SER 3 -14.659 -14.250 12.838 11 H ASN 4 H ASN 4 -10.500 -14.919 11.418 12 HA ASN 4 HA ASN 4 -10.414 -15.807 9.338 13 1HB ASN 4 2HB ASN 4 -12.218 -17.390 10.353 14 2HB ASN 4 1HB ASN 4 -13.407 -16.356 9.586 15 1HD2 ASN 4 1HD2 ASN 4 -10.942 -18.711 9.110 16 2HD2 ASN 4 2HD2 ASN 4 -11.346 -19.122 7.480 17 H VAL 5 H VAL 5 -12.371 -15.558 7.173 18 HA VAL 5 HA VAL 5 -12.404 -12.642 7.044 19 HB VAL 5 HB VAL 5 -12.695 -14.576 4.758 20 1HG1 VAL 5 1HG1 VAL 5 -11.901 -11.685 4.847 21 2HG1 VAL 5 2HG1 VAL 5 -13.476 -12.318 4.367 22 3HG1 VAL 5 3HG1 VAL 5 -12.034 -12.665 3.384 23 1HG2 VAL 5 1HG2 VAL 5 -10.370 -14.204 4.192 24 2HG2 VAL 5 2HG2 VAL 5 -10.555 -15.033 5.739 25 3HG2 VAL 5 3HG2 VAL 5 -10.119 -13.312 5.699 26 HA PRO 6 HA PRO 6 -16.853 -13.453 7.480 27 1HB PRO 6 2HB PRO 6 -17.212 -10.588 7.218 28 2HB PRO 6 1HB PRO 6 -17.513 -11.607 8.622 29 1HG PRO 6 2HG PRO 6 -15.490 -9.764 8.400 30 2HG PRO 6 1HG PRO 6 -15.468 -11.135 9.524 31 1HD PRO 6 2HD PRO 6 -14.004 -10.733 6.976 32 2HD PRO 6 1HD PRO 6 -13.587 -11.713 8.392 33 H ALA 7 H ALA 7 -18.622 -13.377 6.073 34 HA ALA 7 HA ALA 7 -17.979 -12.808 3.370 35 1HB ALA 7 1HB ALA 7 -20.582 -13.785 4.541 36 2HB ALA 7 2HB ALA 7 -19.288 -14.810 3.913 37 3HB ALA 7 3HB ALA 7 -20.172 -13.732 2.827 38 H ASP 8 H ASP 8 -17.592 -10.701 3.925 39 HA ASP 8 HA ASP 8 -19.489 -8.834 2.948 40 1HB ASP 8 2HB ASP 8 -20.442 -8.967 5.229 41 2HB ASP 8 1HB ASP 8 -18.857 -8.671 5.922 42 H MET 9 H MET 9 -16.513 -9.804 4.325 43 HA MET 9 HA MET 9 -15.181 -7.352 3.424 44 1HB MET 9 2HB MET 9 -14.362 -9.352 5.526 45 2HB MET 9 1HB MET 9 -13.461 -7.918 5.069 46 1HG MET 9 2HG MET 9 -16.207 -7.910 6.276 47 2HG MET 9 1HG MET 9 -14.708 -7.707 7.189 48 1HE MET 9 1HE MET 9 -13.391 -4.287 6.024 49 2HE MET 9 2HE MET 9 -12.935 -5.860 5.390 50 3HE MET 9 3HE MET 9 -13.195 -5.658 7.122 51 H ILE 10 H ILE 10 -13.043 -7.766 2.512 52 HA ILE 10 HA ILE 10 -12.643 -10.505 1.664 53 HB ILE 10 HB ILE 10 -11.655 -9.612 -0.513 54 1HG1 ILE 10 2HG1 ILE 10 -12.788 -7.405 -1.275 55 2HG1 ILE 10 1HG1 ILE 10 -12.900 -7.074 0.447 56 1HG2 ILE 10 1HG2 ILE 10 -13.727 -9.289 -1.664 57 2HG2 ILE 10 2HG2 ILE 10 -14.579 -9.198 -0.117 58 3HG2 ILE 10 3HG2 ILE 10 -13.754 -10.696 -0.599 59 1HD1 ILE 10 1HD1 ILE 10 -10.456 -7.572 -1.165 60 2HD1 ILE 10 2HD1 ILE 10 -10.454 -7.256 0.589 61 3HD1 ILE 10 3HD1 ILE 10 -11.009 -6.012 -0.572 62 H ASN 11 H ASN 11 -10.525 -11.256 1.734 63 HA ASN 11 HA ASN 11 -8.889 -9.533 3.434 64 1HB ASN 11 2HB ASN 11 -9.393 -12.073 3.892 65 2HB ASN 11 1HB ASN 11 -8.219 -12.344 2.649 66 1HD2 ASN 11 1HD2 ASN 11 -6.119 -11.932 2.979 67 2HD2 ASN 11 2HD2 ASN 11 -5.380 -11.625 4.500 68 H LEU 12 H LEU 12 -7.587 -8.258 2.409 69 HA LEU 12 HA LEU 12 -6.686 -9.077 -0.241 70 1HB LEU 12 2HB LEU 12 -8.197 -7.289 -0.352 71 2HB LEU 12 1HB LEU 12 -7.400 -6.436 0.942 72 HG LEU 12 HG LEU 12 -5.483 -6.038 -0.512 73 1HD1 LEU 12 1HD1 LEU 12 -5.644 -6.409 -2.895 74 2HD1 LEU 12 2HD1 LEU 12 -7.094 -7.408 -2.652 75 3HD1 LEU 12 3HD1 LEU 12 -5.525 -7.871 -1.941 76 1HD2 LEU 12 1HD2 LEU 12 -8.136 -5.150 -1.581 77 2HD2 LEU 12 2HD2 LEU 12 -6.586 -4.413 -1.975 78 3HD2 LEU 12 3HD2 LEU 12 -7.185 -4.386 -0.311 79 H ARG 13 H ARG 13 -4.627 -9.200 -0.632 80 HA ARG 13 HA ARG 13 -2.773 -8.007 1.285 81 1HB ARG 13 2HB ARG 13 -2.619 -10.494 0.956 82 2HB ARG 13 1HB ARG 13 -2.259 -10.182 -0.721 83 1HG ARG 13 2HG ARG 13 -0.184 -9.244 -0.257 84 2HG ARG 13 1HG ARG 13 -0.572 -9.015 1.452 85 1HD ARG 13 2HD ARG 13 0.922 -10.893 1.187 86 2HD ARG 13 1HD ARG 13 -0.672 -11.403 1.748 87 HE ARG 13 HE ARG 13 0.301 -11.689 -1.008 88 1HH1 ARG 13 1HH1 ARG 13 -1.752 -12.867 1.685 89 2HH1 ARG 13 2HH1 ARG 13 -2.065 -14.354 0.923 90 1HH2 ARG 13 1HH2 ARG 13 -0.214 -13.809 -2.007 91 2HH2 ARG 13 2HH2 ARG 13 -1.215 -14.876 -1.142 92 H LEU 14 H LEU 14 -1.861 -6.372 0.684 93 HA LEU 14 HA LEU 14 -1.777 -5.452 -2.112 94 1HB LEU 14 2HB LEU 14 -1.351 -3.871 0.493 95 2HB LEU 14 1HB LEU 14 -1.275 -3.202 -1.124 96 HG LEU 14 HG LEU 14 -3.236 -2.568 -0.037 97 1HD1 LEU 14 1HD1 LEU 14 -3.404 -2.816 -2.387 98 2HD1 LEU 14 2HD1 LEU 14 -4.937 -3.226 -1.629 99 3HD1 LEU 14 3HD1 LEU 14 -3.875 -4.511 -2.226 100 1HD2 LEU 14 1HD2 LEU 14 -5.047 -4.166 0.480 101 2HD2 LEU 14 2HD2 LEU 14 -3.653 -4.307 1.562 102 3HD2 LEU 14 3HD2 LEU 14 -3.886 -5.479 0.271 103 H ILE 15 H ILE 15 0.204 -5.510 -3.166 104 HA ILE 15 HA ILE 15 2.522 -5.905 -1.431 105 HB ILE 15 HB ILE 15 2.390 -6.345 -4.428 106 1HG1 ILE 15 2HG1 ILE 15 2.017 -8.348 -2.155 107 2HG1 ILE 15 1HG1 ILE 15 0.851 -7.869 -3.354 108 1HG2 ILE 15 1HG2 ILE 15 4.474 -7.633 -4.013 109 2HG2 ILE 15 2HG2 ILE 15 4.378 -7.166 -2.308 110 3HG2 ILE 15 3HG2 ILE 15 4.630 -5.937 -3.538 111 1HD1 ILE 15 1HD1 ILE 15 2.146 -8.872 -5.120 112 2HD1 ILE 15 2HD1 ILE 15 1.803 -10.049 -3.850 113 3HD1 ILE 15 3HD1 ILE 15 3.403 -9.314 -3.965 114 H LEU 16 H LEU 16 3.968 -4.353 -1.233 115 HA LEU 16 HA LEU 16 3.598 -1.875 -2.685 116 1HB LEU 16 2HB LEU 16 5.608 -2.635 -0.562 117 2HB LEU 16 1HB LEU 16 5.340 -1.018 -1.180 118 HG LEU 16 HG LEU 16 3.377 -2.651 0.430 119 1HD1 LEU 16 1HD1 LEU 16 3.763 -0.981 2.171 120 2HD1 LEU 16 2HD1 LEU 16 4.979 -0.207 1.158 121 3HD1 LEU 16 3HD1 LEU 16 5.242 -1.845 1.755 122 1HD2 LEU 16 1HD2 LEU 16 2.029 -0.600 0.475 123 2HD2 LEU 16 2HD2 LEU 16 2.212 -1.226 -1.161 124 3HD2 LEU 16 3HD2 LEU 16 3.162 0.167 -0.640 125 H VAL 17 H VAL 17 5.411 -0.834 -3.784 126 HA VAL 17 HA VAL 17 6.694 -2.621 -5.549 127 HB VAL 17 HB VAL 17 7.788 -0.619 -6.535 128 1HG1 VAL 17 1HG1 VAL 17 4.830 -0.344 -6.003 129 2HG1 VAL 17 2HG1 VAL 17 5.575 -1.291 -7.290 130 3HG1 VAL 17 3HG1 VAL 17 5.710 0.464 -7.300 131 1HG2 VAL 17 1HG2 VAL 17 6.337 0.885 -4.349 132 2HG2 VAL 17 2HG2 VAL 17 7.193 1.618 -5.707 133 3HG2 VAL 17 3HG2 VAL 17 8.082 0.691 -4.499 134 H SER 18 H SER 18 7.594 -1.557 -2.509 135 HA SER 18 HA SER 18 10.438 -1.804 -2.786 136 1HB SER 18 2HB SER 18 9.304 -0.517 -0.921 137 2HB SER 18 1HB SER 18 8.733 -2.072 -0.290 138 HG SER 18 HG SER 18 10.573 -1.590 0.821 139 H GLY 19 H GLY 19 7.848 -4.011 -2.798 140 1HA GLY 19 2HA GLY 19 8.097 -6.282 -3.230 141 2HA GLY 19 1HA GLY 19 9.689 -6.247 -2.485 142 H LYS 20 H LYS 20 7.865 -4.536 -0.497 143 HA LYS 20 HA LYS 20 7.513 -6.784 1.263 144 1HB LYS 20 2HB LYS 20 7.358 -3.814 1.769 145 2HB LYS 20 1HB LYS 20 6.814 -4.973 2.964 146 1HG LYS 20 2HG LYS 20 9.052 -4.238 3.500 147 2HG LYS 20 1HG LYS 20 9.087 -5.934 3.043 148 1HD LYS 20 2HD LYS 20 9.905 -5.291 0.807 149 2HD LYS 20 1HD LYS 20 9.871 -3.597 1.284 150 1HE LYS 20 2HE LYS 20 11.570 -5.768 2.541 151 2HE LYS 20 1HE LYS 20 12.132 -4.518 1.437 152 1HZ LYS 20 1HZ LYS 20 11.538 -2.853 3.076 153 2HZ LYS 20 2HZ LYS 20 12.644 -3.946 3.702 154 3HZ LYS 20 3HZ LYS 20 11.022 -4.039 4.168 155 H THR 21 H THR 21 5.593 -7.604 1.923 156 HA THR 21 HA THR 21 3.281 -6.631 0.471 157 HB THR 21 HB THR 21 2.278 -8.800 1.074 158 HG1 THR 21 1HG THR 21 3.158 -9.528 2.874 159 1HG2 THR 21 1HG2 THR 21 5.047 -9.049 -0.101 160 2HG2 THR 21 2HG2 THR 21 3.592 -8.618 -0.993 161 3HG2 THR 21 3HG2 THR 21 3.745 -10.225 -0.277 162 H LYS 22 H LYS 22 1.374 -6.207 1.505 163 HA LYS 22 HA LYS 22 1.332 -6.202 4.447 164 1HB LYS 22 2HB LYS 22 0.376 -4.087 2.516 165 2HB LYS 22 1HB LYS 22 -0.124 -4.136 4.195 166 1HG LYS 22 2HG LYS 22 2.794 -4.014 3.540 167 2HG LYS 22 1HG LYS 22 1.822 -2.555 3.389 168 1HD LYS 22 2HD LYS 22 2.878 -2.611 5.577 169 2HD LYS 22 1HD LYS 22 1.146 -2.785 5.761 170 1HE LYS 22 2HE LYS 22 2.324 -4.232 7.278 171 2HE LYS 22 1HE LYS 22 1.472 -5.212 6.099 172 1HZ LYS 22 1HZ LYS 22 3.597 -5.562 4.929 173 2HZ LYS 22 2HZ LYS 22 3.727 -6.000 6.545 174 3HZ LYS 22 3HZ LYS 22 4.369 -4.543 6.036 175 H GLU 23 H GLU 23 -0.643 -7.055 5.224 176 HA GLU 23 HA GLU 23 -2.724 -7.435 3.202 177 1HB GLU 23 2HB GLU 23 -1.250 -9.514 3.534 178 2HB GLU 23 1HB GLU 23 -1.894 -9.550 5.166 179 1HG GLU 23 2HG GLU 23 -4.174 -9.672 4.116 180 2HG GLU 23 1HG GLU 23 -3.354 -9.878 2.611 181 H PHE 24 H PHE 24 -4.634 -6.885 4.006 182 HA PHE 24 HA PHE 24 -5.144 -6.996 6.844 183 1HB PHE 24 2HB PHE 24 -5.332 -4.438 5.247 184 2HB PHE 24 1HB PHE 24 -6.087 -4.649 6.809 185 HD1 PHE 24 1HD PHE 24 -2.975 -4.044 5.020 186 HD2 PHE 24 2HD PHE 24 -4.686 -4.814 8.840 187 HE1 PHE 24 1HE PHE 24 -0.898 -3.296 6.097 188 HE2 PHE 24 2HE PHE 24 -2.606 -4.069 9.924 189 HZ PHE 24 HZ PHE 24 -0.709 -3.310 8.552 190 H LEU 25 H LEU 25 -7.455 -6.728 7.282 191 HA LEU 25 HA LEU 25 -8.961 -7.824 5.099 192 1HB LEU 25 2HB LEU 25 -9.187 -8.551 7.514 193 2HB LEU 25 1HB LEU 25 -9.832 -6.962 7.859 194 HG LEU 25 HG LEU 25 -11.735 -7.422 6.386 195 1HD1 LEU 25 1HD1 LEU 25 -10.522 -10.177 6.208 196 2HD1 LEU 25 2HD1 LEU 25 -10.705 -9.022 4.881 197 3HD1 LEU 25 3HD1 LEU 25 -12.128 -9.718 5.647 198 1HD2 LEU 25 1HD2 LEU 25 -12.835 -9.007 7.887 199 2HD2 LEU 25 2HD2 LEU 25 -11.878 -7.831 8.787 200 3HD2 LEU 25 3HD2 LEU 25 -11.268 -9.466 8.553 201 H PHE 26 H PHE 26 -10.075 -6.551 3.735 202 HA PHE 26 HA PHE 26 -10.758 -3.841 4.581 203 1HB PHE 26 2HB PHE 26 -9.539 -4.657 1.922 204 2HB PHE 26 1HB PHE 26 -10.323 -3.113 2.183 205 HD1 PHE 26 1HD PHE 26 -7.217 -5.019 2.538 206 HD2 PHE 26 2HD PHE 26 -9.266 -1.481 3.803 207 HE1 PHE 26 1HE PHE 26 -5.120 -4.051 3.224 208 HE2 PHE 26 2HE PHE 26 -7.112 -0.516 4.504 209 HZ PHE 26 HZ PHE 26 -5.023 -1.815 4.193 210 H SER 27 H SER 27 -12.517 -2.943 3.143 211 HA SER 27 HA SER 27 -14.384 -5.110 2.776 212 1HB SER 27 2HB SER 27 -16.091 -3.350 2.495 213 2HB SER 27 1HB SER 27 -15.195 -3.099 3.986 214 HG SER 27 HG SER 27 -13.849 -1.647 2.501 215 HA PRO 28 HA PRO 28 -13.650 -5.272 -1.502 216 1HB PRO 28 2HB PRO 28 -16.182 -5.876 -2.427 217 2HB PRO 28 1HB PRO 28 -15.055 -7.044 -1.719 218 1HG PRO 28 2HG PRO 28 -17.299 -5.578 -0.401 219 2HG PRO 28 1HG PRO 28 -16.847 -7.289 -0.264 220 1HD PRO 28 2HD PRO 28 -16.201 -5.541 1.627 221 2HD PRO 28 1HD PRO 28 -15.076 -6.832 1.138 222 H ASN 29 H ASN 29 -15.699 -3.019 -0.072 223 HA ASN 29 HA ASN 29 -16.372 -1.600 -2.523 224 1HB ASN 29 2HB ASN 29 -17.950 -2.002 -0.497 225 2HB ASN 29 1HB ASN 29 -17.017 -0.757 0.308 226 1HD2 ASN 29 1HD2 ASN 29 -16.756 0.869 -2.188 227 2HD2 ASN 29 2HD2 ASN 29 -18.336 1.535 -2.447 228 H ASP 30 H ASP 30 -13.784 -1.743 -0.314 229 HA ASP 30 HA ASP 30 -13.047 1.021 -0.321 230 1HB ASP 30 2HB ASP 30 -11.455 -1.476 0.325 231 2HB ASP 30 1HB ASP 30 -10.706 0.112 0.286 232 H SER 31 H SER 31 -11.222 1.954 -1.452 233 HA SER 31 HA SER 31 -11.094 0.838 -4.105 234 1HB SER 31 2HB SER 31 -10.022 3.116 -4.556 235 2HB SER 31 1HB SER 31 -11.763 3.072 -4.229 236 HG SER 31 HG SER 31 -9.974 3.388 -2.098 237 H ALA 32 H ALA 32 -9.451 -0.173 -4.812 238 HA ALA 32 HA ALA 32 -7.413 -1.279 -3.380 239 1HB ALA 32 1HB ALA 32 -7.426 -0.598 -6.280 240 2HB ALA 32 2HB ALA 32 -8.226 -1.985 -5.561 241 3HB ALA 32 3HB ALA 32 -6.455 -1.858 -5.522 242 H SER 33 H SER 33 -6.920 1.647 -5.492 243 HA SER 33 HA SER 33 -4.204 1.579 -4.694 244 1HB SER 33 2HB SER 33 -5.529 3.728 -6.406 245 2HB SER 33 1HB SER 33 -3.835 3.370 -6.173 246 HG SER 33 HG SER 33 -5.128 2.341 -8.039 247 H ASP 34 H ASP 34 -6.986 3.157 -3.541 248 HA ASP 34 HA ASP 34 -5.726 5.158 -1.861 249 1HB ASP 34 2HB ASP 34 -8.266 5.022 -2.343 250 2HB ASP 34 1HB ASP 34 -8.241 3.539 -1.445 251 H ILE 35 H ILE 35 -6.714 1.812 -1.551 252 HA ILE 35 HA ILE 35 -5.836 1.350 1.069 253 HB ILE 35 HB ILE 35 -5.985 -0.615 -1.225 254 1HG1 ILE 35 2HG1 ILE 35 -7.989 0.007 0.944 255 2HG1 ILE 35 1HG1 ILE 35 -8.154 0.421 -0.763 256 1HG2 ILE 35 1HG2 ILE 35 -6.066 -2.320 0.500 257 2HG2 ILE 35 2HG2 ILE 35 -5.912 -1.071 1.732 258 3HG2 ILE 35 3HG2 ILE 35 -4.580 -1.367 0.618 259 1HD1 ILE 35 1HD1 ILE 35 -7.984 -2.326 0.405 260 2HD1 ILE 35 2HD1 ILE 35 -8.093 -1.969 -1.310 261 3HD1 ILE 35 3HD1 ILE 35 -9.448 -1.567 -0.231 262 H ALA 36 H ALA 36 -4.209 1.017 -2.061 263 HA ALA 36 HA ALA 36 -1.794 -0.023 -1.357 264 1HB ALA 36 1HB ALA 36 -2.452 0.544 -3.660 265 2HB ALA 36 2HB ALA 36 -0.845 1.149 -3.256 266 3HB ALA 36 3HB ALA 36 -2.220 2.251 -3.286 267 H LYS 37 H LYS 37 -2.776 3.387 -1.080 268 HA LYS 37 HA LYS 37 -0.247 4.181 -0.001 269 1HB LYS 37 2HB LYS 37 -2.039 5.657 -1.163 270 2HB LYS 37 1HB LYS 37 -2.843 5.668 0.391 271 1HG LYS 37 2HG LYS 37 -0.044 6.718 -0.108 272 2HG LYS 37 1HG LYS 37 -1.538 7.648 -0.070 273 1HD LYS 37 2HD LYS 37 -1.832 7.274 2.256 274 2HD LYS 37 1HD LYS 37 -0.575 6.038 2.286 275 1HE LYS 37 2HE LYS 37 0.212 8.155 3.270 276 2HE LYS 37 1HE LYS 37 1.127 7.719 1.834 277 1HZ LYS 37 1HZ LYS 37 -0.180 9.359 0.565 278 2HZ LYS 37 2HZ LYS 37 0.638 10.052 1.826 279 3HZ LYS 37 3HZ LYS 37 -1.028 9.792 1.963 280 H HIS 38 H HIS 38 -3.333 3.194 1.281 281 HA HIS 38 HA HIS 38 -3.077 3.772 3.989 282 1HB HIS 38 2HB HIS 38 -5.152 2.926 2.891 283 2HB HIS 38 1HB HIS 38 -4.412 1.338 2.783 284 HD1 HIS 38 1HD HIS 38 -3.606 0.496 5.487 285 HD2 HIS 38 2HD HIS 38 -6.794 3.096 4.948 286 HE1 HIS 38 1HE HIS 38 -4.939 0.321 7.540 287 HE2 HIS 38 2HE HIS 38 -7.045 1.497 6.931 288 H VAL 39 H VAL 39 -2.268 0.810 2.236 289 HA VAL 39 HA VAL 39 -1.065 -0.471 4.474 290 HB VAL 39 HB VAL 39 -0.373 -2.203 2.864 291 1HG1 VAL 39 1HG1 VAL 39 -2.609 -2.267 3.926 292 2HG1 VAL 39 2HG1 VAL 39 -2.665 -2.921 2.301 293 3HG1 VAL 39 3HG1 VAL 39 -3.274 -1.316 2.603 294 1HG2 VAL 39 1HG2 VAL 39 -1.759 -0.432 0.906 295 2HG2 VAL 39 2HG2 VAL 39 -1.108 -2.027 0.543 296 3HG2 VAL 39 3HG2 VAL 39 -0.020 -0.683 0.945 297 H TYR 40 H TYR 40 0.083 1.446 1.804 298 HA TYR 40 HA TYR 40 2.824 1.078 1.942 299 1HB TYR 40 2HB TYR 40 1.776 2.373 0.172 300 2HB TYR 40 1HB TYR 40 1.213 3.555 1.337 301 HD1 TYR 40 1HD TYR 40 4.262 2.190 -0.273 302 HD2 TYR 40 2HD TYR 40 2.534 5.408 1.903 303 HE1 TYR 40 1HE TYR 40 6.258 3.543 -0.698 304 HE2 TYR 40 2HE TYR 40 4.529 6.771 1.492 305 HH TYR 40 HH TYR 40 6.848 6.412 1.008 306 H ASP 41 H ASP 41 0.809 3.371 3.756 307 HA ASP 41 HA ASP 41 2.904 3.376 5.807 308 1HB ASP 41 2HB ASP 41 3.266 5.367 4.323 309 2HB ASP 41 1HB ASP 41 1.674 5.949 4.805 310 H ASN 42 H ASN 42 -0.130 5.071 5.078 311 HA ASN 42 HA ASN 42 -1.560 3.850 7.208 312 1HB ASN 42 2HB ASN 42 -0.165 5.574 8.401 313 2HB ASN 42 1HB ASN 42 -0.865 6.802 7.358 314 1HD2 ASN 42 1HD2 ASN 42 -1.785 7.915 9.001 315 2HD2 ASN 42 2HD2 ASN 42 -3.127 7.294 9.925 316 H TRP 43 H TRP 43 -3.776 5.190 7.258 317 HA TRP 43 HA TRP 43 -4.791 5.030 4.666 318 1HB TRP 43 2HB TRP 43 -6.908 5.937 5.553 319 2HB TRP 43 1HB TRP 43 -6.256 4.695 6.604 320 HD1 TRP 43 HD TRP 43 -5.110 5.648 8.954 321 HE1 TRP 43 1HE TRP 43 -5.770 7.658 10.389 322 HE3 TRP 43 3HE TRP 43 -7.861 8.214 5.506 323 HZ2 TRP 43 2HZ TRP 43 -7.283 10.039 10.111 324 HZ3 TRP 43 3HZ TRP 43 -8.889 10.355 6.172 325 HH2 TRP 43 HH TRP 43 -8.604 11.242 8.428 326 HA PRO 44 HA PRO 44 -3.607 8.974 3.055 327 1HB PRO 44 2HB PRO 44 -5.246 8.873 0.837 328 2HB PRO 44 1HB PRO 44 -3.649 8.127 0.915 329 1HG PRO 44 2HG PRO 44 -6.338 6.880 1.226 330 2HG PRO 44 1HG PRO 44 -4.878 6.225 0.472 331 1HD PRO 44 2HD PRO 44 -5.762 5.523 2.925 332 2HD PRO 44 1HD PRO 44 -4.045 5.496 2.476 333 H MET 45 H MET 45 -4.401 10.830 3.630 334 HA MET 45 HA MET 45 -7.057 10.949 4.731 335 1HB MET 45 2HB MET 45 -5.155 11.959 5.898 336 2HB MET 45 1HB MET 45 -4.910 13.071 4.568 337 1HG MET 45 2HG MET 45 -7.028 14.150 5.029 338 2HG MET 45 1HG MET 45 -7.372 12.978 6.300 339 1HE MET 45 1HE MET 45 -4.686 13.855 9.010 340 2HE MET 45 2HE MET 45 -4.520 12.659 7.735 341 3HE MET 45 3HE MET 45 -6.056 12.829 8.590 342 H ASP 46 H ASP 46 -5.629 11.654 1.757 343 HA ASP 46 HA ASP 46 -8.125 12.704 0.738 344 1HB ASP 46 2HB ASP 46 -6.596 14.690 1.377 345 2HB ASP 46 1HB ASP 46 -5.483 14.111 0.150 346 H TRP 47 H TRP 47 -7.166 13.088 -1.913 347 HA TRP 47 HA TRP 47 -6.529 10.333 -2.548 348 1HB TRP 47 2HB TRP 47 -7.398 12.622 -4.313 349 2HB TRP 47 1HB TRP 47 -6.949 11.034 -4.929 350 HD1 TRP 47 HD TRP 47 -9.839 12.925 -3.521 351 HE1 TRP 47 1HE TRP 47 -11.857 11.350 -3.239 352 HE3 TRP 47 3HE TRP 47 -7.477 8.453 -4.253 353 HZ2 TRP 47 2HZ TRP 47 -12.371 8.568 -3.314 354 HZ3 TRP 47 3HZ TRP 47 -8.799 6.383 -4.130 355 HH2 TRP 47 HH TRP 47 -11.190 6.440 -3.670 356 H GLU 48 H GLU 48 -4.744 9.632 -3.446 357 HA GLU 48 HA GLU 48 -2.427 11.321 -3.252 358 1HB GLU 48 2HB GLU 48 -2.706 8.454 -4.113 359 2HB GLU 48 1HB GLU 48 -1.207 9.281 -3.727 360 1HG GLU 48 2HG GLU 48 -3.462 8.754 -1.825 361 2HG GLU 48 1HG GLU 48 -1.950 7.849 -1.945 362 H GLU 49 H GLU 49 -2.143 12.692 -4.941 363 HA GLU 49 HA GLU 49 -1.351 11.601 -7.348 364 1HB GLU 49 2HB GLU 49 -3.020 12.747 -8.861 365 2HB GLU 49 1HB GLU 49 -3.666 11.401 -7.947 366 1HG GLU 49 2HG GLU 49 -5.327 13.055 -7.943 367 2HG GLU 49 1HG GLU 49 -4.593 13.130 -6.344 368 H GLU 50 H GLU 50 -0.942 13.509 -8.994 369 HA GLU 50 HA GLU 50 0.722 15.348 -7.390 370 1HB GLU 50 2HB GLU 50 1.618 13.548 -9.036 371 2HB GLU 50 1HB GLU 50 1.041 14.589 -10.304 372 1HG GLU 50 2HG GLU 50 3.068 15.550 -8.281 373 2HG GLU 50 1HG GLU 50 3.553 14.622 -9.681 374 H GLN 51 H GLN 51 -2.031 16.003 -7.737 375 HA GLN 51 HA GLN 51 -3.401 17.662 -8.353 376 1HB GLN 51 2HB GLN 51 -0.772 19.056 -8.925 377 2HB GLN 51 1HB GLN 51 -2.324 19.885 -8.878 378 1HG GLN 51 2HG GLN 51 -2.618 19.296 -6.556 379 2HG GLN 51 1HG GLN 51 -1.144 18.333 -6.590 380 1HE2 GLN 51 1HE2 GLN 51 -0.272 19.493 -4.935 381 2HE2 GLN 51 2HE2 GLN 51 0.343 21.089 -5.105 382 H VAL 52 H VAL 52 -3.182 15.759 -10.025 383 HA VAL 52 HA VAL 52 -3.206 16.928 -12.739 384 HB VAL 52 HB VAL 52 -2.679 14.667 -13.638 385 1HG1 VAL 52 1HG1 VAL 52 -0.316 14.606 -12.980 386 2HG1 VAL 52 2HG1 VAL 52 -0.668 15.731 -11.667 387 3HG1 VAL 52 3HG1 VAL 52 -0.883 16.233 -13.347 388 1HG2 VAL 52 1HG2 VAL 52 -2.228 13.918 -10.745 389 2HG2 VAL 52 2HG2 VAL 52 -1.829 12.912 -12.137 390 3HG2 VAL 52 3HG2 VAL 52 -3.513 13.298 -11.780 391 H SER 53 H SER 53 -4.902 15.194 -10.286 392 HA SER 53 HA SER 53 -6.946 14.427 -10.024 393 1HB SER 53 2HB SER 53 -7.588 15.841 -12.617 394 2HB SER 53 1HB SER 53 -8.779 15.233 -11.468 395 HG SER 53 HG SER 53 -8.567 17.075 -10.524 396 H SER 54 H SER 54 -5.157 13.483 -12.690 397 HA SER 54 HA SER 54 -6.909 11.480 -13.700 398 1HB SER 54 2HB SER 54 -3.956 11.940 -14.129 399 2HB SER 54 1HB SER 54 -4.973 10.865 -15.087 400 HG SER 54 HG SER 54 -6.212 13.153 -15.052 401 HA PRO 55 HA PRO 55 -5.877 8.725 -10.287 402 1HB PRO 55 2HB PRO 55 -7.381 6.648 -11.128 403 2HB PRO 55 1HB PRO 55 -8.044 8.047 -10.274 404 1HG PRO 55 2HG PRO 55 -8.006 7.482 -13.218 405 2HG PRO 55 1HG PRO 55 -9.322 8.132 -12.219 406 1HD PRO 55 2HD PRO 55 -7.818 9.710 -13.747 407 2HD PRO 55 1HD PRO 55 -8.411 10.245 -12.164 408 H ASN 56 H ASN 56 -5.159 8.186 -13.599 409 HA ASN 56 HA ASN 56 -4.228 5.543 -13.456 410 1HB ASN 56 2HB ASN 56 -3.480 7.696 -15.420 411 2HB ASN 56 1HB ASN 56 -2.852 6.058 -15.526 412 1HD2 ASN 56 1HD2 ASN 56 -4.538 7.525 -17.369 413 2HD2 ASN 56 2HD2 ASN 56 -5.978 6.579 -17.557 414 H ILE 57 H ILE 57 -2.764 8.094 -11.833 415 HA ILE 57 HA ILE 57 -0.154 6.935 -12.044 416 HB ILE 57 HB ILE 57 0.559 8.561 -10.347 417 1HG1 ILE 57 2HG1 ILE 57 -1.190 10.492 -9.856 418 2HG1 ILE 57 1HG1 ILE 57 -2.355 9.202 -10.161 419 1HG2 ILE 57 1HG2 ILE 57 0.714 9.178 -12.587 420 2HG2 ILE 57 2HG2 ILE 57 0.268 10.596 -11.627 421 3HG2 ILE 57 3HG2 ILE 57 -0.953 9.770 -12.613 422 1HD1 ILE 57 1HD1 ILE 57 -0.207 9.150 -8.049 423 2HD1 ILE 57 2HD1 ILE 57 -1.371 7.880 -8.361 424 3HD1 ILE 57 3HD1 ILE 57 -1.922 9.455 -7.776 425 H LEU 58 H LEU 58 -2.932 6.650 -10.003 426 HA LEU 58 HA LEU 58 -1.490 4.656 -8.384 427 1HB LEU 58 2HB LEU 58 -2.990 5.043 -6.537 428 2HB LEU 58 1HB LEU 58 -2.324 6.574 -6.979 429 HG LEU 58 HG LEU 58 -5.140 5.699 -7.697 430 1HD1 LEU 58 1HD1 LEU 58 -5.856 7.178 -5.884 431 2HD1 LEU 58 2HD1 LEU 58 -4.171 7.465 -5.454 432 3HD1 LEU 58 3HD1 LEU 58 -4.859 5.851 -5.284 433 1HD2 LEU 58 1HD2 LEU 58 -3.824 8.421 -7.742 434 2HD2 LEU 58 2HD2 LEU 58 -5.518 8.087 -8.085 435 3HD2 LEU 58 3HD2 LEU 58 -4.267 7.467 -9.159 436 H ARG 59 H ARG 59 -1.637 2.948 -9.490 437 HA ARG 59 HA ARG 59 -4.308 2.153 -10.064 438 1HB ARG 59 2HB ARG 59 -3.655 1.244 -12.294 439 2HB ARG 59 1HB ARG 59 -3.712 3.000 -12.190 440 1HG ARG 59 2HG ARG 59 -1.265 3.010 -12.090 441 2HG ARG 59 1HG ARG 59 -1.283 1.244 -12.260 442 1HD ARG 59 2HD ARG 59 -2.519 1.443 -14.344 443 2HD ARG 59 1HD ARG 59 -2.518 3.195 -14.192 444 HE ARG 59 HE ARG 59 0.118 2.295 -14.154 445 1HH1 ARG 59 1HH1 ARG 59 -2.618 2.496 -16.371 446 2HH1 ARG 59 2HH1 ARG 59 -1.654 2.590 -17.779 447 1HH2 ARG 59 1HH2 ARG 59 1.424 2.349 -16.072 448 2HH2 ARG 59 2HH2 ARG 59 0.697 2.469 -17.613 449 H LEU 60 H LEU 60 -4.497 -0.060 -10.704 450 HA LEU 60 HA LEU 60 -2.849 -1.539 -8.817 451 1HB LEU 60 2HB LEU 60 -4.873 -2.815 -8.341 452 2HB LEU 60 1HB LEU 60 -4.986 -1.116 -7.925 453 HG LEU 60 HG LEU 60 -6.070 -0.989 -10.327 454 1HD1 LEU 60 1HD1 LEU 60 -5.837 -3.255 -10.954 455 2HD1 LEU 60 2HD1 LEU 60 -7.548 -2.846 -10.784 456 3HD1 LEU 60 3HD1 LEU 60 -6.736 -3.793 -9.532 457 1HD2 LEU 60 1HD2 LEU 60 -7.509 -1.871 -7.868 458 2HD2 LEU 60 2HD2 LEU 60 -8.237 -1.064 -9.269 459 3HD2 LEU 60 3HD2 LEU 60 -7.025 -0.235 -8.294 460 H ILE 61 H ILE 61 -2.292 -3.548 -9.249 461 HA ILE 61 HA ILE 61 -2.801 -4.546 -11.928 462 HB ILE 61 HB ILE 61 -0.425 -4.916 -10.102 463 1HG1 ILE 61 2HG1 ILE 61 -0.631 -3.649 -12.803 464 2HG1 ILE 61 1HG1 ILE 61 -0.657 -2.744 -11.304 465 1HG2 ILE 61 1HG2 ILE 61 -0.898 -6.986 -11.358 466 2HG2 ILE 61 2HG2 ILE 61 0.571 -6.216 -11.963 467 3HG2 ILE 61 3HG2 ILE 61 -0.938 -6.065 -12.864 468 1HD1 ILE 61 1HD1 ILE 61 1.518 -2.674 -12.327 469 2HD1 ILE 61 2HD1 ILE 61 1.593 -4.437 -12.383 470 3HD1 ILE 61 3HD1 ILE 61 1.616 -3.595 -10.826 471 H TYR 62 H TYR 62 -3.931 -6.278 -11.922 472 HA TYR 62 HA TYR 62 -4.398 -7.676 -9.416 473 1HB TYR 62 2HB TYR 62 -6.337 -6.706 -10.657 474 2HB TYR 62 1HB TYR 62 -5.903 -7.677 -12.051 475 HD1 TYR 62 1HD TYR 62 -7.680 -9.108 -12.368 476 HD2 TYR 62 2HD TYR 62 -6.141 -8.601 -8.449 477 HE1 TYR 62 1HE TYR 62 -9.188 -10.858 -11.577 478 HE2 TYR 62 2HE TYR 62 -7.620 -10.365 -7.625 479 HH TYR 62 HH TYR 62 -9.708 -11.459 -8.254 480 H GLN 63 H GLN 63 -2.594 -8.799 -9.365 481 HA GLN 63 HA GLN 63 -1.135 -10.375 -9.616 482 1HB GLN 63 2HB GLN 63 -3.166 -11.564 -11.500 483 2HB GLN 63 1HB GLN 63 -1.688 -12.373 -10.955 484 1HG GLN 63 2HG GLN 63 -2.344 -12.345 -8.724 485 2HG GLN 63 1HG GLN 63 -3.689 -11.259 -9.026 486 1HE2 GLN 63 1HE2 GLN 63 -5.557 -12.171 -10.030 487 2HE2 GLN 63 2HE2 GLN 63 -5.841 -13.870 -10.030 488 H GLY 64 H GLY 64 -2.177 -10.029 -13.006 489 1HA GLY 64 2HA GLY 64 0.572 -9.065 -13.533 490 2HA GLY 64 1HA GLY 64 -0.083 -10.373 -14.502 491 H ARG 65 H ARG 65 -2.574 -8.300 -13.755 492 HA ARG 65 HA ARG 65 -2.143 -6.746 -16.203 493 1HB ARG 65 2HB ARG 65 -4.541 -7.111 -16.764 494 2HB ARG 65 1HB ARG 65 -3.534 -8.548 -16.871 495 1HG ARG 65 2HG ARG 65 -4.380 -9.313 -14.715 496 2HG ARG 65 1HG ARG 65 -5.367 -7.857 -14.583 497 1HD ARG 65 2HD ARG 65 -6.612 -8.490 -16.551 498 2HD ARG 65 1HD ARG 65 -5.577 -9.900 -16.778 499 HE ARG 65 HE ARG 65 -6.463 -10.425 -14.400 500 1HH1 ARG 65 1HH1 ARG 65 -8.311 -9.062 -17.099 501 2HH1 ARG 65 2HH1 ARG 65 -9.757 -9.844 -16.670 502 1HH2 ARG 65 1HH2 ARG 65 -8.485 -11.520 -13.844 503 2HH2 ARG 65 2HH2 ARG 65 -9.863 -11.272 -14.812 504 H PHE 66 H PHE 66 -2.900 -4.681 -16.197 505 HA PHE 66 HA PHE 66 -3.710 -3.539 -13.648 506 1HB PHE 66 2HB PHE 66 -3.467 -2.243 -16.371 507 2HB PHE 66 1HB PHE 66 -3.613 -1.386 -14.852 508 HD1 PHE 66 1HD PHE 66 -1.584 -0.875 -13.536 509 HD2 PHE 66 2HD PHE 66 -1.409 -3.438 -16.958 510 HE1 PHE 66 1HE PHE 66 0.832 -0.725 -13.533 511 HE2 PHE 66 2HE PHE 66 1.041 -3.291 -16.923 512 HZ PHE 66 HZ PHE 66 2.163 -1.928 -15.214 513 H LEU 67 H LEU 67 -5.841 -3.681 -13.147 514 HA LEU 67 HA LEU 67 -7.804 -4.002 -15.297 515 1HB LEU 67 2HB LEU 67 -8.294 -3.928 -12.332 516 2HB LEU 67 1HB LEU 67 -9.553 -4.114 -13.531 517 HG LEU 67 HG LEU 67 -7.320 -6.051 -12.938 518 1HD1 LEU 67 1HD1 LEU 67 -9.159 -7.527 -12.261 519 2HD1 LEU 67 2HD1 LEU 67 -10.306 -6.227 -12.590 520 3HD1 LEU 67 3HD1 LEU 67 -9.120 -6.041 -11.325 521 1HD2 LEU 67 1HD2 LEU 67 -7.752 -6.042 -15.340 522 2HD2 LEU 67 2HD2 LEU 67 -9.482 -6.196 -15.043 523 3HD2 LEU 67 3HD2 LEU 67 -8.395 -7.514 -14.607 524 H HIS 68 H HIS 68 -7.210 -1.507 -12.904 525 HA HIS 68 HA HIS 68 -7.976 0.516 -14.709 526 1HB HIS 68 2HB HIS 68 -10.229 -0.540 -13.785 527 2HB HIS 68 1HB HIS 68 -9.761 0.235 -12.284 528 HD1 HIS 68 1HD HIS 68 -11.511 0.833 -15.405 529 HD2 HIS 68 2HD HIS 68 -9.654 3.180 -12.540 530 HE1 HIS 68 1HE HIS 68 -12.353 3.146 -15.793 531 HE2 HIS 68 2HE HIS 68 -11.478 4.444 -13.835 532 H GLY 69 H GLY 69 -7.773 2.622 -13.343 533 1HA GLY 69 2HA GLY 69 -5.494 2.417 -11.795 534 2HA GLY 69 1HA GLY 69 -6.525 3.839 -11.895 535 H ASN 70 H ASN 70 -8.875 2.691 -10.727 536 HA ASN 70 HA ASN 70 -8.087 1.860 -8.151 537 1HB ASN 70 2HB ASN 70 -7.494 4.233 -7.995 538 2HB ASN 70 1HB ASN 70 -9.072 4.693 -8.592 539 1HD2 ASN 70 1HD2 ASN 70 -10.748 4.809 -7.200 540 2HD2 ASN 70 2HD2 ASN 70 -10.602 4.638 -5.497 541 H VAL 71 H VAL 71 -9.363 0.286 -9.101 542 HA VAL 71 HA VAL 71 -12.263 0.731 -8.954 543 HB VAL 71 HB VAL 71 -11.425 -0.197 -11.102 544 1HG1 VAL 71 1HG1 VAL 71 -10.580 -2.524 -11.230 545 2HG1 VAL 71 2HG1 VAL 71 -10.259 -2.446 -9.489 546 3HG1 VAL 71 3HG1 VAL 71 -9.479 -1.322 -10.613 547 1HG2 VAL 71 1HG2 VAL 71 -12.973 -2.172 -9.501 548 2HG2 VAL 71 2HG2 VAL 71 -12.833 -2.186 -11.258 549 3HG2 VAL 71 3HG2 VAL 71 -13.643 -0.833 -10.443 550 H THR 72 H THR 72 -13.538 -0.754 -7.739 551 HA THR 72 HA THR 72 -12.250 -1.245 -5.239 552 HB THR 72 HB THR 72 -14.547 -1.945 -4.521 553 HG1 THR 72 1HG THR 72 -16.168 -1.951 -5.936 554 1HG2 THR 72 1HG2 THR 72 -14.359 0.720 -5.947 555 2HG2 THR 72 2HG2 THR 72 -13.820 0.391 -4.301 556 3HG2 THR 72 3HG2 THR 72 -15.535 0.306 -4.701 557 H LEU 73 H LEU 73 -12.491 -3.311 -4.059 558 HA LEU 73 HA LEU 73 -11.389 -5.393 -5.618 559 1HB LEU 73 2HB LEU 73 -12.448 -5.586 -2.824 560 2HB LEU 73 1HB LEU 73 -11.322 -6.667 -3.592 561 HG LEU 73 HG LEU 73 -10.012 -5.473 -2.178 562 1HD1 LEU 73 1HD1 LEU 73 -8.950 -5.544 -4.267 563 2HD1 LEU 73 2HD1 LEU 73 -8.547 -4.026 -3.466 564 3HD1 LEU 73 3HD1 LEU 73 -9.732 -4.048 -4.774 565 1HD2 LEU 73 1HD2 LEU 73 -11.333 -2.872 -2.951 566 2HD2 LEU 73 2HD2 LEU 73 -10.020 -3.069 -1.798 567 3HD2 LEU 73 3HD2 LEU 73 -11.595 -3.782 -1.464 568 H GLY 74 H GLY 74 -14.605 -4.755 -4.364 569 1HA GLY 74 2HA GLY 74 -15.743 -7.275 -4.945 570 2HA GLY 74 1HA GLY 74 -16.630 -5.755 -4.852 571 H ALA 75 H ALA 75 -15.175 -4.409 -6.864 572 HA ALA 75 HA ALA 75 -16.585 -5.283 -9.162 573 1HB ALA 75 1HB ALA 75 -16.219 -2.913 -8.731 574 2HB ALA 75 2HB ALA 75 -15.489 -3.352 -10.277 575 3HB ALA 75 3HB ALA 75 -14.485 -3.131 -8.852 576 H LEU 76 H LEU 76 -13.576 -6.087 -7.834 577 HA LEU 76 HA LEU 76 -12.205 -6.878 -10.260 578 1HB LEU 76 2HB LEU 76 -11.770 -7.540 -7.392 579 2HB LEU 76 1HB LEU 76 -10.629 -7.938 -8.673 580 HG LEU 76 HG LEU 76 -11.352 -5.185 -7.633 581 1HD1 LEU 76 1HD1 LEU 76 -10.049 -6.662 -6.127 582 2HD1 LEU 76 2HD1 LEU 76 -9.140 -5.267 -6.701 583 3HD1 LEU 76 3HD1 LEU 76 -8.863 -6.854 -7.415 584 1HD2 LEU 76 1HD2 LEU 76 -10.703 -5.238 -10.031 585 2HD2 LEU 76 2HD2 LEU 76 -9.208 -6.056 -9.493 586 3HD2 LEU 76 3HD2 LEU 76 -9.538 -4.409 -8.981 587 H LYS 77 H LYS 77 -14.875 -8.055 -8.865 588 HA LYS 77 HA LYS 77 -16.084 -9.937 -9.051 589 1HB LYS 77 2HB LYS 77 -13.691 -11.208 -10.430 590 2HB LYS 77 1HB LYS 77 -15.224 -12.011 -10.214 591 1HG LYS 77 2HG LYS 77 -15.142 -11.286 -12.464 592 2HG LYS 77 1HG LYS 77 -16.240 -10.179 -11.653 593 1HD LYS 77 2HD LYS 77 -14.405 -8.539 -11.477 594 2HD LYS 77 1HD LYS 77 -13.332 -9.645 -12.320 595 1HE LYS 77 2HE LYS 77 -15.901 -8.521 -13.433 596 2HE LYS 77 1HE LYS 77 -14.307 -7.888 -13.805 597 1HZ LYS 77 1HZ LYS 77 -15.112 -9.336 -15.546 598 2HZ LYS 77 2HZ LYS 77 -15.316 -10.618 -14.497 599 3HZ LYS 77 3HZ LYS 77 -13.774 -10.054 -14.852 600 H LEU 78 H LEU 78 -13.869 -9.382 -6.952 601 HA LEU 78 HA LEU 78 -13.325 -11.932 -5.840 602 1HB LEU 78 2HB LEU 78 -12.926 -9.157 -4.883 603 2HB LEU 78 1HB LEU 78 -12.864 -10.445 -3.713 604 HG LEU 78 HG LEU 78 -10.959 -11.452 -4.852 605 1HD1 LEU 78 1HD1 LEU 78 -9.867 -10.391 -6.724 606 2HD1 LEU 78 2HD1 LEU 78 -11.124 -9.168 -6.780 607 3HD1 LEU 78 3HD1 LEU 78 -11.516 -10.849 -7.160 608 1HD2 LEU 78 1HD2 LEU 78 -9.320 -9.698 -4.456 609 2HD2 LEU 78 2HD2 LEU 78 -10.538 -9.751 -3.178 610 3HD2 LEU 78 3HD2 LEU 78 -10.613 -8.500 -4.421 611 HA PRO 79 HA PRO 79 -17.196 -12.385 -3.621 612 1HB PRO 79 2HB PRO 79 -16.112 -14.964 -2.828 613 2HB PRO 79 1HB PRO 79 -17.493 -14.638 -3.876 614 1HG PRO 79 2HG PRO 79 -15.162 -15.706 -4.785 615 2HG PRO 79 1HG PRO 79 -16.224 -14.705 -5.784 616 1HD PRO 79 2HD PRO 79 -13.673 -13.911 -4.389 617 2HD PRO 79 1HD PRO 79 -14.328 -13.493 -5.993 618 H PHE 80 H PHE 80 -17.638 -12.727 -1.353 619 HA PHE 80 HA PHE 80 -15.606 -11.512 0.281 620 1HB PHE 80 2HB PHE 80 -18.179 -12.719 1.257 621 2HB PHE 80 1HB PHE 80 -17.227 -11.440 1.995 622 HD1 PHE 80 1HD PHE 80 -16.864 -9.607 -0.311 623 HD2 PHE 80 2HD PHE 80 -20.211 -11.853 0.985 624 HE1 PHE 80 1HE PHE 80 -18.377 -7.957 -1.381 625 HE2 PHE 80 2HE PHE 80 -21.736 -10.220 -0.090 626 HZ PHE 80 HZ PHE 80 -20.806 -8.274 -1.269 627 H GLY 81 H GLY 81 -14.796 -12.469 2.238 628 1HA GLY 81 2HA GLY 81 -14.194 -14.158 3.663 629 2HA GLY 81 1HA GLY 81 -15.259 -15.264 2.864 630 H LYS 82 H LYS 82 -13.147 -13.687 0.732 631 HA LYS 82 HA LYS 82 -11.448 -16.049 0.774 632 1HB LYS 82 2HB LYS 82 -12.241 -14.384 -1.590 633 2HB LYS 82 1HB LYS 82 -11.069 -15.697 -1.627 634 1HG LYS 82 2HG LYS 82 -12.845 -17.237 -0.833 635 2HG LYS 82 1HG LYS 82 -13.993 -15.905 -0.964 636 1HD LYS 82 2HD LYS 82 -13.433 -15.642 -3.250 637 2HD LYS 82 1HD LYS 82 -12.323 -17.005 -3.196 638 1HE LYS 82 2HE LYS 82 -15.315 -17.136 -2.700 639 2HE LYS 82 1HE LYS 82 -14.495 -17.710 -4.145 640 1HZ LYS 82 1HZ LYS 82 -13.306 -19.321 -2.738 641 2HZ LYS 82 2HZ LYS 82 -14.954 -19.553 -2.724 642 3HZ LYS 82 3HZ LYS 82 -14.214 -18.836 -1.398 643 H THR 83 H THR 83 -9.229 -15.758 0.159 644 HA THR 83 HA THR 83 -8.214 -13.112 0.849 645 HB THR 83 HB THR 83 -6.871 -15.829 0.882 646 HG1 THR 83 1HG THR 83 -8.479 -15.519 2.487 647 1HG2 THR 83 1HG2 THR 83 -5.069 -14.670 2.125 648 2HG2 THR 83 2HG2 THR 83 -5.899 -13.127 1.863 649 3HG2 THR 83 3HG2 THR 83 -5.259 -14.028 0.498 650 H THR 84 H THR 84 -7.304 -11.968 -0.688 651 HA THR 84 HA THR 84 -6.238 -13.361 -3.034 652 HB THR 84 HB THR 84 -8.164 -11.023 -3.213 653 HG1 THR 84 1HG THR 84 -8.490 -13.638 -3.073 654 1HG2 THR 84 1HG2 THR 84 -8.017 -11.330 -5.660 655 2HG2 THR 84 2HG2 THR 84 -6.803 -12.583 -5.434 656 3HG2 THR 84 3HG2 THR 84 -6.435 -10.917 -4.995 657 H VAL 85 H VAL 85 -4.502 -12.412 -4.070 658 HA VAL 85 HA VAL 85 -3.214 -10.225 -2.605 659 HB VAL 85 HB VAL 85 -1.983 -12.383 -2.759 660 1HG1 VAL 85 1HG1 VAL 85 -1.925 -11.840 -5.716 661 2HG1 VAL 85 2HG1 VAL 85 -2.729 -13.184 -4.908 662 3HG1 VAL 85 3HG1 VAL 85 -0.969 -13.071 -4.898 663 1HG2 VAL 85 1HG2 VAL 85 -0.670 -10.097 -4.224 664 2HG2 VAL 85 2HG2 VAL 85 0.170 -11.467 -3.499 665 3HG2 VAL 85 3HG2 VAL 85 -0.714 -10.335 -2.476 666 H MET 86 H MET 86 -2.498 -8.381 -3.646 667 HA MET 86 HA MET 86 -2.860 -8.198 -6.527 668 1HB MET 86 2HB MET 86 -3.941 -6.237 -4.518 669 2HB MET 86 1HB MET 86 -3.748 -5.887 -6.230 670 1HG MET 86 2HG MET 86 -5.286 -7.652 -6.786 671 2HG MET 86 1HG MET 86 -5.487 -8.069 -5.092 672 1HE MET 86 1HE MET 86 -6.129 -5.463 -7.902 673 2HE MET 86 2HE MET 86 -5.187 -4.479 -6.769 674 3HE MET 86 3HE MET 86 -6.899 -4.140 -7.036 675 H HIS 87 H HIS 87 -1.684 -6.530 -7.507 676 HA HIS 87 HA HIS 87 0.669 -5.751 -5.936 677 1HB HIS 87 2HB HIS 87 0.465 -6.146 -8.956 678 2HB HIS 87 1HB HIS 87 1.879 -5.683 -7.991 679 HD1 HIS 87 1HD HIS 87 3.444 -7.573 -7.491 680 HD2 HIS 87 2HD HIS 87 -0.430 -8.971 -8.230 681 HE1 HIS 87 1HE HIS 87 3.587 -10.062 -7.454 682 HE2 HIS 87 2HE HIS 87 1.311 -10.861 -8.128 683 H LEU 88 H LEU 88 1.006 -3.532 -5.833 684 HA LEU 88 HA LEU 88 -0.909 -1.907 -7.372 685 1HB LEU 88 2HB LEU 88 0.107 -1.447 -4.564 686 2HB LEU 88 1HB LEU 88 -0.874 -0.318 -5.462 687 HG LEU 88 HG LEU 88 -2.234 -1.432 -3.845 688 1HD1 LEU 88 1HD1 LEU 88 -3.327 -0.924 -5.907 689 2HD1 LEU 88 2HD1 LEU 88 -3.982 -2.403 -5.209 690 3HD1 LEU 88 3HD1 LEU 88 -2.867 -2.491 -6.575 691 1HD2 LEU 88 1HD2 LEU 88 -1.325 -4.024 -5.075 692 2HD2 LEU 88 2HD2 LEU 88 -2.615 -3.881 -3.898 693 3HD2 LEU 88 3HD2 LEU 88 -0.961 -3.447 -3.449 694 H VAL 89 H VAL 89 -0.203 0.002 -8.284 695 HA VAL 89 HA VAL 89 2.585 0.707 -7.815 696 HB VAL 89 HB VAL 89 2.880 1.293 -10.198 697 1HG1 VAL 89 1HG1 VAL 89 2.951 -0.931 -11.182 698 2HG1 VAL 89 2HG1 VAL 89 1.942 -1.535 -9.886 699 3HG1 VAL 89 3HG1 VAL 89 3.577 -0.940 -9.525 700 1HG2 VAL 89 1HG2 VAL 89 0.568 1.776 -10.793 701 2HG2 VAL 89 2HG2 VAL 89 0.156 0.069 -10.634 702 3HG2 VAL 89 3HG2 VAL 89 1.265 0.596 -11.902 703 H ALA 90 H ALA 90 2.910 2.841 -7.489 704 HA ALA 90 HA ALA 90 0.797 4.684 -8.256 705 1HB ALA 90 1HB ALA 90 2.111 4.749 -5.526 706 2HB ALA 90 2HB ALA 90 0.486 4.144 -5.859 707 3HB ALA 90 3HB ALA 90 0.864 5.837 -6.162 708 H ARG 91 H ARG 91 1.450 6.582 -8.931 709 HA ARG 91 HA ARG 91 4.336 6.980 -9.136 710 1HB ARG 91 2HB ARG 91 2.113 7.610 -11.083 711 2HB ARG 91 1HB ARG 91 3.788 8.102 -11.295 712 1HG ARG 91 2HG ARG 91 4.430 5.727 -11.401 713 2HG ARG 91 1HG ARG 91 2.730 5.279 -11.223 714 1HD ARG 91 2HD ARG 91 3.430 5.259 -13.573 715 2HD ARG 91 1HD ARG 91 2.189 6.483 -13.271 716 HE ARG 91 HE ARG 91 4.941 7.367 -13.123 717 1HH1 ARG 91 1HH1 ARG 91 2.028 7.172 -15.117 718 2HH1 ARG 91 2HH1 ARG 91 2.529 8.416 -16.174 719 1HH2 ARG 91 1HH2 ARG 91 5.597 9.016 -14.560 720 2HH2 ARG 91 2HH2 ARG 91 4.598 9.474 -15.866 721 H GLU 92 H GLU 92 4.998 8.944 -8.462 722 HA GLU 92 HA GLU 92 4.970 11.049 -7.599 723 1HB GLU 92 2HB GLU 92 2.207 11.300 -8.815 724 2HB GLU 92 1HB GLU 92 3.295 12.601 -8.354 725 1HG GLU 92 2HG GLU 92 3.762 10.642 -10.593 726 2HG GLU 92 1HG GLU 92 3.143 12.276 -10.784 727 H THR 93 H THR 93 3.863 8.701 -6.125 728 HA THR 93 HA THR 93 1.495 9.463 -4.907 729 HB THR 93 HB THR 93 2.098 7.089 -5.122 730 HG1 THR 93 1HG THR 93 0.689 7.640 -3.389 731 1HG2 THR 93 1HG2 THR 93 4.247 7.666 -3.072 732 2HG2 THR 93 2HG2 THR 93 4.517 7.220 -4.757 733 3HG2 THR 93 3HG2 THR 93 3.795 6.063 -3.645 734 H LEU 94 H LEU 94 1.335 9.929 -2.592 735 HA LEU 94 HA LEU 94 3.512 11.694 -1.794 736 1HB LEU 94 2HB LEU 94 0.632 11.667 -0.876 737 2HB LEU 94 1HB LEU 94 1.855 12.713 -0.210 738 HG LEU 94 HG LEU 94 2.075 13.755 -2.505 739 1HD1 LEU 94 1HD1 LEU 94 -0.424 12.188 -3.078 740 2HD1 LEU 94 2HD1 LEU 94 1.143 11.975 -3.854 741 3HD1 LEU 94 3HD1 LEU 94 0.243 13.473 -4.085 742 1HD2 LEU 94 1HD2 LEU 94 0.047 15.101 -2.283 743 2HD2 LEU 94 2HD2 LEU 94 0.832 14.838 -0.730 744 3HD2 LEU 94 3HD2 LEU 94 -0.613 13.916 -1.155 745 HA PRO 95 HA PRO 95 4.390 9.077 1.720 746 1HB PRO 95 2HB PRO 95 5.960 10.822 3.081 747 2HB PRO 95 1HB PRO 95 6.524 10.059 1.593 748 1HG PRO 95 2HG PRO 95 5.357 12.789 1.983 749 2HG PRO 95 1HG PRO 95 6.794 12.313 1.061 750 1HD PRO 95 2HD PRO 95 4.401 12.770 -0.107 751 2HD PRO 95 1HD PRO 95 5.555 11.570 -0.727 752 H GLU 96 H GLU 96 4.732 10.427 4.331 753 HA GLU 96 HA GLU 96 1.959 10.707 4.916 754 1HB GLU 96 2HB GLU 96 2.624 11.143 7.258 755 2HB GLU 96 1HB GLU 96 3.312 9.663 6.625 756 1HG GLU 96 2HG GLU 96 4.852 12.234 6.727 757 2HG GLU 96 1HG GLU 96 4.767 11.139 8.101 758 HA PRO 97 HA PRO 97 1.775 15.101 4.386 759 1HB PRO 97 2HB PRO 97 -0.673 15.507 5.467 760 2HB PRO 97 1HB PRO 97 -0.478 14.738 3.883 761 1HG PRO 97 2HG PRO 97 -1.003 13.506 6.556 762 2HG PRO 97 1HG PRO 97 -1.699 13.091 4.979 763 1HD PRO 97 2HD PRO 97 0.327 11.685 6.149 764 2HD PRO 97 1HD PRO 97 0.095 11.790 4.392 765 H ASN 98 H ASN 98 2.159 13.432 7.197 766 HA ASN 98 HA ASN 98 2.792 13.856 9.306 767 1HB ASN 98 2HB ASN 98 3.078 16.705 8.343 768 2HB ASN 98 1HB ASN 98 3.447 16.226 9.993 769 1HD2 ASN 98 1HD2 ASN 98 4.440 16.033 6.642 770 2HD2 ASN 98 2HD2 ASN 98 6.001 15.392 6.984 771 H SER 99 H SER 99 -0.007 14.953 8.056 772 HA SER 99 HA SER 99 -1.118 16.153 10.422 773 1HB SER 99 2HB SER 99 -2.451 15.222 7.875 774 2HB SER 99 1HB SER 99 -3.137 16.315 9.075 775 HG SER 99 HG SER 99 -0.912 17.448 8.491 776 H GLN 100 H GLN 100 -0.340 13.069 9.674 777 HA GLN 100 HA GLN 100 -2.801 11.846 10.531 778 1HB GLN 100 2HB GLN 100 -1.532 9.669 10.252 779 2HB GLN 100 1HB GLN 100 -1.803 10.609 8.805 780 1HG GLN 100 2HG GLN 100 0.522 11.491 9.040 781 2HG GLN 100 1HG GLN 100 0.736 10.370 10.386 782 1HE2 GLN 100 1HE2 GLN 100 1.006 8.161 9.951 783 2HE2 GLN 100 2HE2 GLN 100 1.248 7.616 8.327 784 H GLY 101 H GLY 101 0.555 11.952 11.846 785 1HA GLY 101 2HA GLY 101 1.313 11.593 13.970 786 2HA GLY 101 1HA GLY 101 -0.257 12.178 14.507 787 H GLN 102 H GLN 102 -0.164 9.442 12.500 788 HA GLN 102 HA GLN 102 -0.916 7.755 14.757 789 1HB GLN 102 2HB GLN 102 -2.830 7.973 13.447 790 2HB GLN 102 1HB GLN 102 -1.927 7.898 11.949 791 1HG GLN 102 2HG GLN 102 -1.557 5.523 12.251 792 2HG GLN 102 1HG GLN 102 -2.363 5.574 13.818 793 1HE2 GLN 102 1HE2 GLN 102 -3.810 3.959 12.960 794 2HE2 GLN 102 2HE2 GLN 102 -5.084 4.437 11.907 795 H ARG 103 H ARG 103 0.280 6.117 15.222 796 HA ARG 103 HA ARG 103 2.527 5.330 13.633 797 1HB ARG 103 2HB ARG 103 1.240 3.917 15.996 798 2HB ARG 103 1HB ARG 103 2.823 3.592 15.327 799 1HG ARG 103 2HG ARG 103 2.016 6.172 16.643 800 2HG ARG 103 1HG ARG 103 2.884 4.861 17.438 801 1HD ARG 103 2HD ARG 103 4.691 5.113 15.767 802 2HD ARG 103 1HD ARG 103 3.824 6.492 15.085 803 HE ARG 103 HE ARG 103 4.005 7.215 17.605 804 1HH1 ARG 103 1HH1 ARG 103 6.486 5.867 15.464 805 2HH1 ARG 103 2HH1 ARG 103 7.784 6.645 16.227 806 1HH2 ARG 103 1HH2 ARG 103 5.817 8.284 18.687 807 2HH2 ARG 103 2HH2 ARG 103 7.395 8.068 18.098 808 H ASN 104 H ASN 104 -0.426 3.783 14.786 809 HA ASN 104 HA ASN 104 -1.309 2.743 12.379 810 1HB ASN 104 2HB ASN 104 -0.835 0.328 12.586 811 2HB ASN 104 1HB ASN 104 0.650 1.239 12.429 812 1HD2 ASN 104 1HD2 ASN 104 0.154 -1.422 13.512 813 2HD2 ASN 104 2HD2 ASN 104 0.779 -1.417 15.124 814 H ARG 105 H ARG 105 -1.085 1.995 15.821 815 HA ARG 105 HA ARG 105 -3.521 0.652 16.090 816 1HB ARG 105 2HB ARG 105 -2.108 2.284 18.183 817 2HB ARG 105 1HB ARG 105 -3.321 1.062 18.494 818 1HG ARG 105 2HG ARG 105 -1.855 -0.611 17.420 819 2HG ARG 105 1HG ARG 105 -0.615 0.634 17.283 820 1HD ARG 105 2HD ARG 105 -0.708 0.952 19.700 821 2HD ARG 105 1HD ARG 105 -1.905 -0.350 19.776 822 HE ARG 105 HE ARG 105 0.800 -0.761 18.734 823 1HH1 ARG 105 1HH1 ARG 105 -1.884 -1.809 20.762 824 2HH1 ARG 105 2HH1 ARG 105 -1.072 -3.125 21.451 825 1HH2 ARG 105 1HH2 ARG 105 1.949 -2.612 19.646 826 2HH2 ARG 105 2HH2 ARG 105 1.168 -3.592 20.806 827 H GLU 106 H GLU 106 -2.816 4.052 16.757 828 HA GLU 106 HA GLU 106 -4.012 5.935 16.697 829 1HB GLU 106 2HB GLU 106 -4.680 4.975 14.442 830 2HB GLU 106 1HB GLU 106 -6.127 4.362 15.195 831 1HG GLU 106 2HG GLU 106 -5.432 7.299 15.011 832 2HG GLU 106 1HG GLU 106 -6.380 6.444 13.822 833 H LYS 107 H LYS 107 -6.657 3.584 17.026 834 HA LYS 107 HA LYS 107 -7.294 4.599 19.694 835 1HB LYS 107 2HB LYS 107 -8.407 6.062 18.102 836 2HB LYS 107 1HB LYS 107 -9.177 4.693 17.340 837 1HG LYS 107 2HG LYS 107 -10.423 4.267 19.430 838 2HG LYS 107 1HG LYS 107 -9.654 5.686 20.147 839 1HD LYS 107 2HD LYS 107 -11.415 5.683 17.693 840 2HD LYS 107 1HD LYS 107 -11.888 6.240 19.296 841 1HE LYS 107 2HE LYS 107 -10.163 7.980 19.203 842 2HE LYS 107 1HE LYS 107 -9.677 7.424 17.601 843 1HZ LYS 107 1HZ LYS 107 -12.324 8.530 18.323 844 2HZ LYS 107 2HZ LYS 107 -11.880 8.017 16.790 845 3HZ LYS 107 3HZ LYS 107 -11.122 9.349 17.485 846 H THR 108 H THR 108 -8.140 3.002 20.921 847 HA THR 108 HA THR 108 -9.000 1.036 21.609 848 HB THR 108 HB THR 108 -9.792 0.630 18.752 849 HG1 THR 108 1HG THR 108 -10.864 2.070 20.894 850 1HG2 THR 108 1HG2 THR 108 -10.888 -0.673 21.263 851 2HG2 THR 108 2HG2 THR 108 -9.925 -1.475 20.023 852 3HG2 THR 108 3HG2 THR 108 -11.549 -0.895 19.643 853 H GLY 109 H GLY 109 -6.566 1.242 19.312 854 1HA GLY 109 2HA GLY 109 -5.883 -1.572 19.315 855 2HA GLY 109 1HA GLY 109 -4.980 -0.277 18.531 856 H GLU 110 H GLU 110 -5.397 1.104 21.249 857 HA GLU 110 HA GLU 110 -2.866 0.804 22.308 858 1HB GLU 110 2HB GLU 110 -3.767 1.949 24.320 859 2HB GLU 110 1HB GLU 110 -4.198 2.747 22.817 860 1HG GLU 110 2HG GLU 110 -6.424 1.806 22.918 861 2HG GLU 110 1HG GLU 110 -5.996 0.911 24.374 862 H SER 111 H SER 111 -1.956 -0.538 23.669 863 HA SER 111 HA SER 111 -3.636 -2.555 24.982 864 1HB SER 111 2HB SER 111 -0.783 -2.816 24.013 865 2HB SER 111 1HB SER 111 -1.722 -4.075 24.818 866 HG SER 111 HG SER 111 -3.252 -3.332 22.939 867 H ASN 112 H ASN 112 -3.816 -1.949 27.046 868 HA ASN 112 HA ASN 112 -1.731 -0.524 28.405 869 1HB ASN 112 2HB ASN 112 -4.185 -0.227 28.900 870 2HB ASN 112 1HB ASN 112 -4.218 -1.864 29.532 871 1HD2 ASN 112 1HD2 ASN 112 -4.837 0.670 30.773 872 2HD2 ASN 112 2HD2 ASN 112 -3.858 0.820 32.182 873 H CYS 113 H CYS 113 0.057 -1.566 28.884 874 HA CYS 113 HA CYS 113 0.348 -4.356 28.894 875 1HB CYS 113 2HB CYS 113 2.199 -2.211 29.931 876 2HB CYS 113 1HB CYS 113 2.647 -3.883 29.617 877 HG CYS 113 HG CYS 113 2.726 -3.778 27.008 878 H CYS 114 H CYS 114 -0.553 -2.146 31.345 879 HA CYS 114 HA CYS 114 -1.013 -2.280 33.522 880 1HB CYS 114 2HB CYS 114 -1.065 -5.275 33.040 881 2HB CYS 114 1HB CYS 114 -1.709 -4.465 34.464 882 HG CYS 114 HG CYS 114 -2.867 -4.023 31.266 883 H VAL 115 H VAL 115 0.759 -1.421 34.351 884 HA VAL 115 HA VAL 115 3.160 -2.892 34.513 885 HB VAL 115 HB VAL 115 4.131 -0.919 35.740 886 1HG1 VAL 115 1HG1 VAL 115 4.296 -1.121 33.318 887 2HG1 VAL 115 2HG1 VAL 115 4.060 0.566 33.775 888 3HG1 VAL 115 3HG1 VAL 115 2.712 -0.372 33.132 889 1HG2 VAL 115 1HG2 VAL 115 2.079 -0.087 36.799 890 2HG2 VAL 115 2HG2 VAL 115 1.401 0.283 35.215 891 3HG2 VAL 115 3HG2 VAL 115 2.816 1.162 35.794 892 H ILE 116 H ILE 116 2.636 -4.658 35.601 893 HA ILE 116 HA ILE 116 2.860 -4.319 38.484 894 HB ILE 116 HB ILE 116 1.821 -6.600 38.746 895 1HG1 ILE 116 2HG1 ILE 116 1.019 -6.249 35.839 896 2HG1 ILE 116 1HG1 ILE 116 2.186 -7.424 36.431 897 1HG2 ILE 116 1HG2 ILE 116 0.517 -4.631 39.195 898 2HG2 ILE 116 2HG2 ILE 116 -0.511 -5.856 38.446 899 3HG2 ILE 116 3HG2 ILE 116 0.075 -4.491 37.495 900 1HD1 ILE 116 1HD1 ILE 116 -0.749 -7.343 37.101 901 2HD1 ILE 116 2HD1 ILE 116 0.407 -8.533 37.699 902 3HD1 ILE 116 3HD1 ILE 116 0.032 -8.455 35.977 903 H LEU 117 H LEU 117 4.844 -4.644 39.014 904 HA LEU 117 HA LEU 117 6.504 -6.384 37.395 905 1HB LEU 117 2HB LEU 117 7.256 -4.414 39.564 906 2HB LEU 117 1HB LEU 117 8.395 -5.394 38.677 907 HG LEU 117 HG LEU 117 8.510 -3.216 37.800 908 1HD1 LEU 117 1HD1 LEU 117 7.910 -3.481 35.459 909 2HD1 LEU 117 2HD1 LEU 117 6.935 -4.886 35.877 910 3HD1 LEU 117 3HD1 LEU 117 8.682 -4.914 36.135 911 1HD2 LEU 117 1HD2 LEU 117 5.516 -3.257 37.405 912 2HD2 LEU 117 2HD2 LEU 117 6.600 -1.972 36.863 913 3HD2 LEU 117 3HD2 LEU 117 6.400 -2.287 38.585 Start of MODEL 7 1 H SER 2 H SER 2 -2.543 -12.684 9.128 2 HA SER 2 HA SER 2 -3.035 -15.521 9.220 3 1HB SER 2 2HB SER 2 -4.368 -13.638 11.187 4 2HB SER 2 1HB SER 2 -4.758 -15.342 10.954 5 HG SER 2 HG SER 2 -2.139 -15.054 11.317 6 H SER 3 H SER 3 -4.224 -15.813 7.460 7 HA SER 3 HA SER 3 -6.028 -13.722 6.602 8 1HB SER 3 2HB SER 3 -5.224 -16.287 5.235 9 2HB SER 3 1HB SER 3 -6.183 -14.988 4.526 10 HG SER 3 HG SER 3 -4.287 -13.605 4.994 11 H ASN 4 H ASN 4 -7.731 -13.913 8.015 12 HA ASN 4 HA ASN 4 -9.461 -16.213 7.475 13 1HB ASN 4 2HB ASN 4 -8.744 -16.280 9.888 14 2HB ASN 4 1HB ASN 4 -9.365 -14.639 10.070 15 1HD2 ASN 4 1HD2 ASN 4 -10.954 -15.198 11.607 16 2HD2 ASN 4 2HD2 ASN 4 -12.336 -16.121 11.175 17 H VAL 5 H VAL 5 -11.428 -15.561 6.694 18 HA VAL 5 HA VAL 5 -11.645 -12.656 6.526 19 HB VAL 5 HB VAL 5 -12.811 -14.423 4.500 20 1HG1 VAL 5 1HG1 VAL 5 -12.302 -12.562 3.023 21 2HG1 VAL 5 2HG1 VAL 5 -11.612 -11.706 4.413 22 3HG1 VAL 5 3HG1 VAL 5 -13.321 -12.151 4.406 23 1HG2 VAL 5 1HG2 VAL 5 -10.634 -15.375 4.588 24 2HG2 VAL 5 2HG2 VAL 5 -9.856 -13.797 4.542 25 3HG2 VAL 5 3HG2 VAL 5 -10.767 -14.393 3.133 26 HA PRO 6 HA PRO 6 -15.772 -13.604 8.154 27 1HB PRO 6 2HB PRO 6 -16.267 -10.777 7.691 28 2HB PRO 6 1HB PRO 6 -16.291 -11.656 9.213 29 1HG PRO 6 2HG PRO 6 -14.414 -9.837 8.493 30 2HG PRO 6 1HG PRO 6 -14.106 -11.141 9.664 31 1HD PRO 6 2HD PRO 6 -13.252 -10.856 6.832 32 2HD PRO 6 1HD PRO 6 -12.469 -11.714 8.172 33 H ALA 7 H ALA 7 -17.693 -13.867 6.983 34 HA ALA 7 HA ALA 7 -17.483 -13.416 4.180 35 1HB ALA 7 1HB ALA 7 -19.796 -14.511 5.744 36 2HB ALA 7 2HB ALA 7 -18.477 -15.464 5.037 37 3HB ALA 7 3HB ALA 7 -19.585 -14.561 3.991 38 H ASP 8 H ASP 8 -17.257 -11.208 4.522 39 HA ASP 8 HA ASP 8 -19.478 -9.717 3.554 40 1HB ASP 8 2HB ASP 8 -20.170 -9.753 5.937 41 2HB ASP 8 1HB ASP 8 -18.609 -9.090 6.395 42 H MET 9 H MET 9 -16.347 -10.017 4.879 43 HA MET 9 HA MET 9 -15.426 -7.500 3.655 44 1HB MET 9 2HB MET 9 -14.205 -9.229 5.813 45 2HB MET 9 1HB MET 9 -13.497 -7.754 5.177 46 1HG MET 9 2HG MET 9 -16.164 -7.878 6.552 47 2HG MET 9 1HG MET 9 -14.642 -7.551 7.391 48 1HE MET 9 1HE MET 9 -13.266 -5.361 7.194 49 2HE MET 9 2HE MET 9 -13.585 -4.103 6.003 50 3HE MET 9 3HE MET 9 -13.028 -5.685 5.478 51 H ILE 10 H ILE 10 -13.388 -7.657 2.473 52 HA ILE 10 HA ILE 10 -12.760 -10.378 1.656 53 HB ILE 10 HB ILE 10 -11.746 -9.308 -0.429 54 1HG1 ILE 10 2HG1 ILE 10 -13.136 -7.133 -1.009 55 2HG1 ILE 10 1HG1 ILE 10 -13.073 -6.926 0.716 56 1HG2 ILE 10 1HG2 ILE 10 -13.814 -9.059 -1.621 57 2HG2 ILE 10 2HG2 ILE 10 -14.701 -9.169 -0.096 58 3HG2 ILE 10 3HG2 ILE 10 -13.702 -10.533 -0.667 59 1HD1 ILE 10 1HD1 ILE 10 -11.255 -5.720 -0.304 60 2HD1 ILE 10 2HD1 ILE 10 -10.750 -7.185 -1.117 61 3HD1 ILE 10 3HD1 ILE 10 -10.598 -7.073 0.654 62 H ASN 11 H ASN 11 -10.678 -11.140 1.787 63 HA ASN 11 HA ASN 11 -8.986 -9.497 3.527 64 1HB ASN 11 2HB ASN 11 -9.585 -11.973 3.937 65 2HB ASN 11 1HB ASN 11 -8.445 -12.324 2.659 66 1HD2 ASN 11 1HD2 ASN 11 -6.208 -11.841 2.997 67 2HD2 ASN 11 2HD2 ASN 11 -5.582 -11.673 4.579 68 H LEU 12 H LEU 12 -7.638 -8.214 2.462 69 HA LEU 12 HA LEU 12 -6.711 -9.150 -0.139 70 1HB LEU 12 2HB LEU 12 -8.166 -7.316 -0.384 71 2HB LEU 12 1HB LEU 12 -7.377 -6.420 0.890 72 HG LEU 12 HG LEU 12 -5.412 -6.130 -0.534 73 1HD1 LEU 12 1HD1 LEU 12 -6.995 -7.546 -2.666 74 2HD1 LEU 12 2HD1 LEU 12 -5.484 -8.077 -1.852 75 3HD1 LEU 12 3HD1 LEU 12 -5.471 -6.661 -2.873 76 1HD2 LEU 12 1HD2 LEU 12 -7.111 -4.444 -0.504 77 2HD2 LEU 12 2HD2 LEU 12 -8.013 -5.295 -1.755 78 3HD2 LEU 12 3HD2 LEU 12 -6.440 -4.587 -2.131 79 H ARG 13 H ARG 13 -4.673 -9.350 -0.464 80 HA ARG 13 HA ARG 13 -2.810 -8.192 1.452 81 1HB ARG 13 2HB ARG 13 -2.803 -10.692 1.142 82 2HB ARG 13 1HB ARG 13 -2.407 -10.432 -0.533 83 1HG ARG 13 2HG ARG 13 -0.247 -9.772 -0.075 84 2HG ARG 13 1HG ARG 13 -0.625 -9.338 1.594 85 1HD ARG 13 2HD ARG 13 0.654 -11.411 1.530 86 2HD ARG 13 1HD ARG 13 -0.977 -11.663 2.142 87 HE ARG 13 HE ARG 13 -0.202 -12.346 -0.628 88 1HH1 ARG 13 1HH1 ARG 13 -1.956 -13.219 2.391 89 2HH1 ARG 13 2HH1 ARG 13 -2.300 -14.785 1.864 90 1HH2 ARG 13 1HH2 ARG 13 -0.747 -14.504 -1.308 91 2HH2 ARG 13 2HH2 ARG 13 -1.634 -15.538 -0.284 92 H LEU 14 H LEU 14 -1.824 -6.548 0.838 93 HA LEU 14 HA LEU 14 -1.789 -5.602 -1.945 94 1HB LEU 14 2HB LEU 14 -1.328 -3.981 0.667 95 2HB LEU 14 1HB LEU 14 -1.203 -3.356 -0.954 96 HG LEU 14 HG LEU 14 -3.156 -2.669 0.102 97 1HD1 LEU 14 1HD1 LEU 14 -3.249 -2.911 -2.270 98 2HD1 LEU 14 2HD1 LEU 14 -4.820 -3.272 -1.554 99 3HD1 LEU 14 3HD1 LEU 14 -3.783 -4.587 -2.116 100 1HD2 LEU 14 1HD2 LEU 14 -3.676 -4.440 1.673 101 2HD2 LEU 14 2HD2 LEU 14 -3.852 -5.561 0.347 102 3HD2 LEU 14 3HD2 LEU 14 -5.028 -4.242 0.532 103 H ILE 15 H ILE 15 0.116 -5.710 -3.120 104 HA ILE 15 HA ILE 15 2.525 -6.056 -1.536 105 HB ILE 15 HB ILE 15 2.196 -6.350 -4.537 106 1HG1 ILE 15 2HG1 ILE 15 2.062 -8.476 -2.341 107 2HG1 ILE 15 1HG1 ILE 15 0.809 -7.985 -3.433 108 1HG2 ILE 15 1HG2 ILE 15 4.390 -7.139 -2.619 109 2HG2 ILE 15 2HG2 ILE 15 4.480 -5.878 -3.845 110 3HG2 ILE 15 3HG2 ILE 15 4.360 -7.575 -4.327 111 1HD1 ILE 15 1HD1 ILE 15 1.989 -8.876 -5.330 112 2HD1 ILE 15 2HD1 ILE 15 1.798 -10.110 -4.083 113 3HD1 ILE 15 3HD1 ILE 15 3.353 -9.306 -4.300 114 H LEU 16 H LEU 16 3.691 -4.362 -1.177 115 HA LEU 16 HA LEU 16 3.074 -1.827 -2.390 116 1HB LEU 16 2HB LEU 16 5.362 -2.544 -0.577 117 2HB LEU 16 1HB LEU 16 4.894 -0.927 -1.041 118 HG LEU 16 HG LEU 16 3.370 -2.837 0.704 119 1HD1 LEU 16 1HD1 LEU 16 4.708 -0.196 1.234 120 2HD1 LEU 16 2HD1 LEU 16 5.240 -1.779 1.804 121 3HD1 LEU 16 3HD1 LEU 16 3.724 -1.085 2.388 122 1HD2 LEU 16 1HD2 LEU 16 2.590 -0.089 -0.274 123 2HD2 LEU 16 2HD2 LEU 16 1.791 -0.988 1.006 124 3HD2 LEU 16 3HD2 LEU 16 1.770 -1.613 -0.644 125 H VAL 17 H VAL 17 4.643 -0.425 -3.362 126 HA VAL 17 HA VAL 17 6.109 -1.618 -5.466 127 HB VAL 17 HB VAL 17 6.923 0.665 -5.967 128 1HG1 VAL 17 1HG1 VAL 17 3.986 0.538 -5.297 129 2HG1 VAL 17 2HG1 VAL 17 4.751 0.001 -6.795 130 3HG1 VAL 17 3HG1 VAL 17 4.743 1.715 -6.372 131 1HG2 VAL 17 1HG2 VAL 17 5.488 1.462 -3.428 132 2HG2 VAL 17 2HG2 VAL 17 6.199 2.577 -4.600 133 3HG2 VAL 17 3HG2 VAL 17 7.234 1.483 -3.682 134 H SER 18 H SER 18 6.835 -0.981 -2.217 135 HA SER 18 HA SER 18 9.678 -0.819 -2.369 136 1HB SER 18 2HB SER 18 7.925 -1.696 -0.076 137 2HB SER 18 1HB SER 18 9.527 -0.950 0.012 138 HG SER 18 HG SER 18 8.690 0.970 -0.416 139 H GLY 19 H GLY 19 7.369 -3.308 -2.748 140 1HA GLY 19 2HA GLY 19 7.827 -5.499 -3.384 141 2HA GLY 19 1HA GLY 19 9.449 -5.353 -2.730 142 H LYS 20 H LYS 20 7.402 -4.117 -0.520 143 HA LYS 20 HA LYS 20 7.550 -6.530 1.094 144 1HB LYS 20 2HB LYS 20 6.437 -3.819 1.828 145 2HB LYS 20 1HB LYS 20 6.846 -5.105 2.941 146 1HG LYS 20 2HG LYS 20 8.766 -3.497 1.259 147 2HG LYS 20 1HG LYS 20 8.514 -3.340 2.991 148 1HD LYS 20 2HD LYS 20 9.559 -5.853 1.658 149 2HD LYS 20 1HD LYS 20 10.585 -4.566 2.261 150 1HE LYS 20 2HE LYS 20 10.532 -6.320 3.906 151 2HE LYS 20 1HE LYS 20 9.654 -4.944 4.534 152 1HZ LYS 20 1HZ LYS 20 8.585 -7.015 5.024 153 2HZ LYS 20 2HZ LYS 20 8.450 -7.454 3.431 154 3HZ LYS 20 3HZ LYS 20 7.555 -6.150 4.045 155 H THR 21 H THR 21 5.803 -7.787 1.530 156 HA THR 21 HA THR 21 3.340 -6.997 0.226 157 HB THR 21 HB THR 21 2.702 -9.349 0.460 158 HG1 THR 21 1HG THR 21 5.322 -10.090 1.150 159 1HG2 THR 21 1HG2 THR 21 4.353 -10.334 -1.101 160 2HG2 THR 21 2HG2 THR 21 5.426 -8.968 -0.789 161 3HG2 THR 21 3HG2 THR 21 3.866 -8.708 -1.568 162 H LYS 22 H LYS 22 1.587 -6.508 1.405 163 HA LYS 22 HA LYS 22 1.722 -6.996 4.311 164 1HB LYS 22 2HB LYS 22 0.596 -4.527 2.993 165 2HB LYS 22 1HB LYS 22 0.819 -4.806 4.712 166 1HG LYS 22 2HG LYS 22 3.282 -4.867 4.321 167 2HG LYS 22 1HG LYS 22 2.979 -4.435 2.641 168 1HD LYS 22 2HD LYS 22 3.533 -2.449 3.813 169 2HD LYS 22 1HD LYS 22 1.791 -2.383 3.490 170 1HE LYS 22 2HE LYS 22 2.215 -1.669 5.743 171 2HE LYS 22 1HE LYS 22 1.425 -3.242 5.805 172 1HZ LYS 22 1HZ LYS 22 3.253 -3.279 7.314 173 2HZ LYS 22 2HZ LYS 22 4.259 -2.606 6.152 174 3HZ LYS 22 3HZ LYS 22 3.760 -4.193 5.968 175 H GLU 23 H GLU 23 -0.382 -7.333 5.285 176 HA GLU 23 HA GLU 23 -2.538 -7.653 3.318 177 1HB GLU 23 2HB GLU 23 -1.289 -9.838 3.793 178 2HB GLU 23 1HB GLU 23 -1.947 -9.713 5.414 179 1HG GLU 23 2HG GLU 23 -4.229 -9.642 4.328 180 2HG GLU 23 1HG GLU 23 -3.396 -10.038 2.863 181 H PHE 24 H PHE 24 -4.428 -6.945 4.037 182 HA PHE 24 HA PHE 24 -4.984 -6.712 6.871 183 1HB PHE 24 2HB PHE 24 -5.075 -4.382 4.950 184 2HB PHE 24 1HB PHE 24 -5.793 -4.350 6.540 185 HD1 PHE 24 1HD PHE 24 -4.320 -4.304 8.522 186 HD2 PHE 24 2HD PHE 24 -2.743 -4.106 4.591 187 HE1 PHE 24 1HE PHE 24 -2.191 -3.466 9.430 188 HE2 PHE 24 2HE PHE 24 -0.615 -3.266 5.471 189 HZ PHE 24 HZ PHE 24 -0.329 -2.945 7.901 190 H LEU 25 H LEU 25 -7.311 -6.295 7.204 191 HA LEU 25 HA LEU 25 -8.841 -7.571 5.097 192 1HB LEU 25 2HB LEU 25 -9.061 -8.172 7.564 193 2HB LEU 25 1HB LEU 25 -9.770 -6.578 7.775 194 HG LEU 25 HG LEU 25 -11.592 -7.176 6.271 195 1HD1 LEU 25 1HD1 LEU 25 -10.482 -8.856 4.919 196 2HD1 LEU 25 2HD1 LEU 25 -11.927 -9.529 5.667 197 3HD1 LEU 25 3HD1 LEU 25 -10.335 -9.914 6.320 198 1HD2 LEU 25 1HD2 LEU 25 -11.826 -7.419 8.674 199 2HD2 LEU 25 2HD2 LEU 25 -11.171 -9.055 8.581 200 3HD2 LEU 25 3HD2 LEU 25 -12.718 -8.677 7.824 201 H PHE 26 H PHE 26 -10.120 -6.419 3.720 202 HA PHE 26 HA PHE 26 -10.872 -3.705 4.481 203 1HB PHE 26 2HB PHE 26 -9.692 -4.541 1.817 204 2HB PHE 26 1HB PHE 26 -10.519 -3.016 2.077 205 HD1 PHE 26 1HD PHE 26 -7.391 -4.840 2.456 206 HD2 PHE 26 2HD PHE 26 -9.528 -1.338 3.618 207 HE1 PHE 26 1HE PHE 26 -5.311 -3.805 3.136 208 HE2 PHE 26 2HE PHE 26 -7.407 -0.294 4.322 209 HZ PHE 26 HZ PHE 26 -5.284 -1.542 4.068 210 H SER 27 H SER 27 -12.553 -2.914 2.739 211 HA SER 27 HA SER 27 -14.479 -5.096 2.618 212 1HB SER 27 2HB SER 27 -16.189 -3.320 2.378 213 2HB SER 27 1HB SER 27 -15.237 -3.076 3.833 214 HG SER 27 HG SER 27 -13.913 -1.671 2.273 215 HA PRO 28 HA PRO 28 -14.078 -5.295 -1.761 216 1HB PRO 28 2HB PRO 28 -16.675 -5.844 -2.525 217 2HB PRO 28 1HB PRO 28 -15.554 -7.002 -1.763 218 1HG PRO 28 2HG PRO 28 -17.671 -5.353 -0.444 219 2HG PRO 28 1HG PRO 28 -17.366 -7.093 -0.298 220 1HD PRO 28 2HD PRO 28 -16.452 -5.405 1.552 221 2HD PRO 28 1HD PRO 28 -15.459 -6.775 1.000 222 H ASN 29 H ASN 29 -15.941 -2.969 -0.181 223 HA ASN 29 HA ASN 29 -16.734 -1.354 -2.428 224 1HB ASN 29 2HB ASN 29 -18.099 -1.294 -0.431 225 2HB ASN 29 1HB ASN 29 -16.723 -0.841 0.559 226 1HD2 ASN 29 1HD2 ASN 29 -16.073 1.339 0.613 227 2HD2 ASN 29 2HD2 ASN 29 -16.987 2.589 -0.117 228 H ASP 30 H ASP 30 -13.883 -1.705 -0.494 229 HA ASP 30 HA ASP 30 -12.904 0.942 -0.757 230 1HB ASP 30 2HB ASP 30 -11.498 -1.640 -0.060 231 2HB ASP 30 1HB ASP 30 -10.658 -0.100 -0.162 232 H SER 31 H SER 31 -11.107 1.723 -2.011 233 HA SER 31 HA SER 31 -11.055 0.440 -4.610 234 1HB SER 31 2HB SER 31 -10.204 2.689 -5.364 235 2HB SER 31 1HB SER 31 -11.801 2.735 -4.644 236 HG SER 31 HG SER 31 -9.531 3.133 -3.058 237 H ALA 32 H ALA 32 -9.367 -0.666 -5.163 238 HA ALA 32 HA ALA 32 -7.351 -1.610 -3.550 239 1HB ALA 32 1HB ALA 32 -6.366 -2.470 -5.577 240 2HB ALA 32 2HB ALA 32 -7.292 -1.263 -6.493 241 3HB ALA 32 3HB ALA 32 -8.139 -2.555 -5.666 242 H SER 33 H SER 33 -6.835 1.028 -5.973 243 HA SER 33 HA SER 33 -4.080 1.120 -5.317 244 1HB SER 33 2HB SER 33 -5.696 3.153 -6.886 245 2HB SER 33 1HB SER 33 -3.950 2.946 -6.893 246 HG SER 33 HG SER 33 -4.104 1.142 -8.008 247 H ASP 34 H ASP 34 -6.895 2.760 -4.124 248 HA ASP 34 HA ASP 34 -5.548 4.845 -2.671 249 1HB ASP 34 2HB ASP 34 -8.129 4.753 -3.028 250 2HB ASP 34 1HB ASP 34 -8.093 3.434 -1.909 251 H ILE 35 H ILE 35 -6.592 1.593 -2.043 252 HA ILE 35 HA ILE 35 -5.859 1.353 0.648 253 HB ILE 35 HB ILE 35 -5.902 -0.788 -1.488 254 1HG1 ILE 35 2HG1 ILE 35 -8.012 -0.000 0.520 255 2HG1 ILE 35 1HG1 ILE 35 -8.076 0.310 -1.215 256 1HG2 ILE 35 1HG2 ILE 35 -5.963 -1.026 1.503 257 2HG2 ILE 35 2HG2 ILE 35 -4.604 -1.411 0.461 258 3HG2 ILE 35 3HG2 ILE 35 -6.096 -2.357 0.352 259 1HD1 ILE 35 1HD1 ILE 35 -8.060 -2.095 -1.627 260 2HD1 ILE 35 2HD1 ILE 35 -9.430 -1.621 -0.615 261 3HD1 ILE 35 3HD1 ILE 35 -8.010 -2.382 0.105 262 H ALA 36 H ALA 36 -4.052 0.771 -2.336 263 HA ALA 36 HA ALA 36 -1.676 -0.260 -1.446 264 1HB ALA 36 1HB ALA 36 -2.227 0.215 -3.811 265 2HB ALA 36 2HB ALA 36 -0.626 0.785 -3.359 266 3HB ALA 36 3HB ALA 36 -1.964 1.926 -3.496 267 H LYS 37 H LYS 37 -2.713 3.094 -1.392 268 HA LYS 37 HA LYS 37 -0.299 4.135 -0.294 269 1HB LYS 37 2HB LYS 37 -3.099 5.151 -0.410 270 2HB LYS 37 1HB LYS 37 -1.741 6.163 0.063 271 1HG LYS 37 2HG LYS 37 -2.233 4.889 -2.641 272 2HG LYS 37 1HG LYS 37 -2.434 6.596 -2.240 273 1HD LYS 37 2HD LYS 37 -0.044 6.745 -1.755 274 2HD LYS 37 1HD LYS 37 0.165 5.047 -2.217 275 1HE LYS 37 2HE LYS 37 0.803 6.555 -4.031 276 2HE LYS 37 1HE LYS 37 -0.610 5.598 -4.475 277 1HZ LYS 37 1HZ LYS 37 -0.810 8.028 -5.057 278 2HZ LYS 37 2HZ LYS 37 -0.813 8.346 -3.377 279 3HZ LYS 37 3HZ LYS 37 -2.015 7.457 -4.030 280 H HIS 38 H HIS 38 -3.438 3.180 0.945 281 HA HIS 38 HA HIS 38 -3.185 4.005 3.627 282 1HB HIS 38 2HB HIS 38 -5.322 3.403 2.499 283 2HB HIS 38 1HB HIS 38 -4.829 1.721 2.513 284 HD1 HIS 38 1HD HIS 38 -6.646 4.197 4.438 285 HD2 HIS 38 2HD HIS 38 -4.690 0.631 5.240 286 HE1 HIS 38 1HE HIS 38 -7.490 3.467 6.670 287 HE2 HIS 38 2HE HIS 38 -6.356 1.292 7.136 288 H VAL 39 H VAL 39 -2.368 0.937 2.074 289 HA VAL 39 HA VAL 39 -1.537 -0.325 4.508 290 HB VAL 39 HB VAL 39 -0.680 -2.130 3.058 291 1HG1 VAL 39 1HG1 VAL 39 -2.985 -2.106 3.892 292 2HG1 VAL 39 2HG1 VAL 39 -2.901 -2.824 2.290 293 3HG1 VAL 39 3HG1 VAL 39 -3.493 -1.183 2.482 294 1HG2 VAL 39 1HG2 VAL 39 -1.862 -0.461 0.886 295 2HG2 VAL 39 2HG2 VAL 39 -1.139 -2.059 0.680 296 3HG2 VAL 39 3HG2 VAL 39 -0.136 -0.666 1.122 297 H TYR 40 H TYR 40 -0.040 1.505 2.004 298 HA TYR 40 HA TYR 40 2.661 0.849 2.332 299 1HB TYR 40 2HB TYR 40 1.610 2.159 0.478 300 2HB TYR 40 1HB TYR 40 1.455 3.513 1.574 301 HD1 TYR 40 1HD TYR 40 3.458 4.807 2.211 302 HD2 TYR 40 2HD TYR 40 3.699 1.560 -0.519 303 HE1 TYR 40 1HE TYR 40 5.634 5.616 1.441 304 HE2 TYR 40 2HE TYR 40 5.879 2.351 -1.285 305 HH TYR 40 HH TYR 40 7.679 4.739 0.302 306 H ASP 41 H ASP 41 0.762 3.537 3.769 307 HA ASP 41 HA ASP 41 1.758 3.274 6.340 308 1HB ASP 41 2HB ASP 41 3.941 4.040 5.474 309 2HB ASP 41 1HB ASP 41 3.190 5.502 4.849 310 H ASN 42 H ASN 42 -0.341 3.551 6.753 311 HA ASN 42 HA ASN 42 -2.094 4.655 7.686 312 1HB ASN 42 2HB ASN 42 -0.383 6.253 8.614 313 2HB ASN 42 1HB ASN 42 -0.541 7.228 7.166 314 1HD2 ASN 42 1HD2 ASN 42 -2.018 6.290 10.179 315 2HD2 ASN 42 2HD2 ASN 42 -3.220 7.514 10.199 316 H TRP 43 H TRP 43 -3.862 6.370 7.081 317 HA TRP 43 HA TRP 43 -4.527 5.816 4.388 318 1HB TRP 43 2HB TRP 43 -6.604 7.242 4.953 319 2HB TRP 43 1HB TRP 43 -6.393 5.719 5.800 320 HD1 TRP 43 HD TRP 43 -6.038 9.527 6.413 321 HE1 TRP 43 1HE TRP 43 -6.300 9.964 8.916 322 HE3 TRP 43 3HE TRP 43 -6.267 4.692 8.040 323 HZ2 TRP 43 2HZ TRP 43 -6.577 8.458 11.286 324 HZ3 TRP 43 3HZ TRP 43 -6.533 4.274 10.444 325 HH2 TRP 43 HH TRP 43 -6.684 6.114 12.035 326 HA PRO 44 HA PRO 44 -2.444 9.255 2.600 327 1HB PRO 44 2HB PRO 44 -3.723 9.227 0.179 328 2HB PRO 44 1HB PRO 44 -2.431 8.109 0.613 329 1HG PRO 44 2HG PRO 44 -5.391 7.708 0.751 330 2HG PRO 44 1HG PRO 44 -4.189 6.602 0.094 331 1HD PRO 44 2HD PRO 44 -5.163 6.184 2.489 332 2HD PRO 44 1HD PRO 44 -3.425 5.984 2.208 333 H MET 45 H MET 45 -5.945 9.082 1.964 334 HA MET 45 HA MET 45 -7.610 10.514 2.087 335 1HB MET 45 2HB MET 45 -5.728 12.122 3.790 336 2HB MET 45 1HB MET 45 -7.358 12.654 3.439 337 1HG MET 45 2HG MET 45 -6.819 9.986 4.662 338 2HG MET 45 1HG MET 45 -6.875 11.431 5.667 339 1HE MET 45 1HE MET 45 -9.372 10.362 2.526 340 2HE MET 45 2HE MET 45 -10.532 9.487 3.518 341 3HE MET 45 3HE MET 45 -8.870 8.915 3.402 342 H ASP 46 H ASP 46 -4.772 12.573 1.654 343 HA ASP 46 HA ASP 46 -5.466 13.322 -0.993 344 1HB ASP 46 2HB ASP 46 -7.317 14.491 0.178 345 2HB ASP 46 1HB ASP 46 -6.137 15.385 1.118 346 H TRP 47 H TRP 47 -3.919 14.248 2.015 347 HA TRP 47 HA TRP 47 -1.907 15.766 0.651 348 1HB TRP 47 2HB TRP 47 -2.149 15.011 3.564 349 2HB TRP 47 1HB TRP 47 -0.930 16.095 2.898 350 HD1 TRP 47 HD TRP 47 -1.696 18.539 2.231 351 HE1 TRP 47 1HE TRP 47 -3.804 19.905 2.759 352 HE3 TRP 47 3HE TRP 47 -4.690 14.778 3.948 353 HZ2 TRP 47 2HZ TRP 47 -6.397 19.456 3.772 354 HZ3 TRP 47 3HZ TRP 47 -6.967 15.327 4.678 355 HH2 TRP 47 HH TRP 47 -7.801 17.619 4.593 356 H GLU 48 H GLU 48 -0.911 14.376 -0.654 357 HA GLU 48 HA GLU 48 0.778 12.339 0.624 358 1HB GLU 48 2HB GLU 48 -0.254 12.472 -2.211 359 2HB GLU 48 1HB GLU 48 0.773 11.209 -1.549 360 1HG GLU 48 2HG GLU 48 -1.016 10.608 0.019 361 2HG GLU 48 1HG GLU 48 -2.041 11.839 -0.715 362 H GLU 49 H GLU 49 2.634 11.993 -1.375 363 HA GLU 49 HA GLU 49 4.004 14.484 -1.215 364 1HB GLU 49 2HB GLU 49 5.229 12.307 -1.100 365 2HB GLU 49 1HB GLU 49 4.795 12.009 -2.781 366 1HG GLU 49 2HG GLU 49 7.089 12.865 -2.539 367 2HG GLU 49 1HG GLU 49 6.063 13.936 -3.497 368 H GLU 50 H GLU 50 4.343 15.935 -2.780 369 HA GLU 50 HA GLU 50 3.841 17.275 -4.569 370 1HB GLU 50 2HB GLU 50 2.912 14.709 -5.897 371 2HB GLU 50 1HB GLU 50 3.075 16.254 -6.713 372 1HG GLU 50 2HG GLU 50 5.322 14.726 -5.434 373 2HG GLU 50 1HG GLU 50 4.931 14.692 -7.150 374 H GLN 51 H GLN 51 1.808 15.946 -2.576 375 HA GLN 51 HA GLN 51 -0.274 16.123 -1.900 376 1HB GLN 51 2HB GLN 51 -0.311 18.537 -3.722 377 2HB GLN 51 1HB GLN 51 -1.678 18.096 -2.718 378 1HG GLN 51 2HG GLN 51 -0.390 19.869 -1.679 379 2HG GLN 51 1HG GLN 51 -0.297 18.406 -0.714 380 1HE2 GLN 51 1HE2 GLN 51 1.416 20.565 -2.786 381 2HE2 GLN 51 2HE2 GLN 51 3.010 20.053 -2.370 382 H VAL 52 H VAL 52 -1.082 17.246 -5.108 383 HA VAL 52 HA VAL 52 -2.228 14.651 -5.615 384 HB VAL 52 HB VAL 52 -4.209 15.753 -6.797 385 1HG1 VAL 52 1HG1 VAL 52 -3.973 16.185 -3.817 386 2HG1 VAL 52 2HG1 VAL 52 -4.471 14.694 -4.613 387 3HG1 VAL 52 3HG1 VAL 52 -5.480 16.136 -4.729 388 1HG2 VAL 52 1HG2 VAL 52 -4.823 18.032 -6.106 389 2HG2 VAL 52 2HG2 VAL 52 -3.296 18.022 -6.989 390 3HG2 VAL 52 3HG2 VAL 52 -3.296 18.176 -5.233 391 H SER 53 H SER 53 -0.525 14.111 -6.825 392 HA SER 53 HA SER 53 0.626 15.588 -8.870 393 1HB SER 53 2HB SER 53 0.386 12.591 -8.649 394 2HB SER 53 1HB SER 53 1.640 13.498 -9.501 395 HG SER 53 HG SER 53 2.047 12.720 -7.196 396 H SER 54 H SER 54 -1.667 12.877 -9.096 397 HA SER 54 HA SER 54 -3.447 13.951 -10.890 398 1HB SER 54 2HB SER 54 -2.831 12.678 -12.955 399 2HB SER 54 1HB SER 54 -1.603 13.878 -12.553 400 HG SER 54 HG SER 54 -0.258 12.364 -11.976 401 HA PRO 55 HA PRO 55 -5.250 10.107 -9.463 402 1HB PRO 55 2HB PRO 55 -7.060 9.566 -11.367 403 2HB PRO 55 1HB PRO 55 -7.308 10.875 -10.199 404 1HG PRO 55 2HG PRO 55 -6.317 11.027 -13.031 405 2HG PRO 55 1HG PRO 55 -7.490 12.070 -12.209 406 1HD PRO 55 2HD PRO 55 -4.920 12.798 -12.552 407 2HD PRO 55 1HD PRO 55 -5.845 13.264 -11.109 408 H ASN 56 H ASN 56 -3.733 10.444 -12.486 409 HA ASN 56 HA ASN 56 -3.963 7.733 -13.350 410 1HB ASN 56 2HB ASN 56 -2.129 9.905 -14.358 411 2HB ASN 56 1HB ASN 56 -2.320 8.323 -15.103 412 1HD2 ASN 56 1HD2 ASN 56 -3.618 11.480 -14.729 413 2HD2 ASN 56 2HD2 ASN 56 -4.966 11.282 -15.784 414 H ILE 57 H ILE 57 -2.187 9.067 -10.918 415 HA ILE 57 HA ILE 57 0.132 7.382 -11.267 416 HB ILE 57 HB ILE 57 0.851 8.075 -9.103 417 1HG1 ILE 57 2HG1 ILE 57 -1.771 9.535 -8.759 418 2HG1 ILE 57 1HG1 ILE 57 -1.409 7.958 -8.062 419 1HG2 ILE 57 1HG2 ILE 57 0.950 10.509 -9.404 420 2HG2 ILE 57 2HG2 ILE 57 -0.337 10.410 -10.600 421 3HG2 ILE 57 3HG2 ILE 57 1.222 9.653 -10.922 422 1HD1 ILE 57 1HD1 ILE 57 0.141 10.451 -7.561 423 2HD1 ILE 57 2HD1 ILE 57 0.404 8.830 -6.880 424 3HD1 ILE 57 3HD1 ILE 57 -1.063 9.739 -6.449 425 H LEU 58 H LEU 58 -3.043 6.934 -10.300 426 HA LEU 58 HA LEU 58 -2.397 4.733 -8.516 427 1HB LEU 58 2HB LEU 58 -5.066 5.960 -9.204 428 2HB LEU 58 1HB LEU 58 -4.881 4.553 -8.194 429 HG LEU 58 HG LEU 58 -5.263 6.269 -6.728 430 1HD1 LEU 58 1HD1 LEU 58 -3.467 4.935 -5.961 431 2HD1 LEU 58 2HD1 LEU 58 -3.231 6.599 -5.442 432 3HD1 LEU 58 3HD1 LEU 58 -2.290 5.957 -6.781 433 1HD2 LEU 58 1HD2 LEU 58 -5.088 8.175 -8.166 434 2HD2 LEU 58 2HD2 LEU 58 -3.351 7.988 -8.294 435 3HD2 LEU 58 3HD2 LEU 58 -4.071 8.465 -6.749 436 H ARG 59 H ARG 59 -1.895 2.964 -9.497 437 HA ARG 59 HA ARG 59 -3.780 1.875 -11.430 438 1HB ARG 59 2HB ARG 59 -0.811 2.030 -11.648 439 2HB ARG 59 1HB ARG 59 -1.586 0.565 -12.218 440 1HG ARG 59 2HG ARG 59 -1.177 2.089 -14.066 441 2HG ARG 59 1HG ARG 59 -2.904 1.911 -13.800 442 1HD ARG 59 2HD ARG 59 -2.870 4.037 -12.540 443 2HD ARG 59 1HD ARG 59 -1.164 4.207 -12.951 444 HE ARG 59 HE ARG 59 -1.814 4.292 -15.274 445 1HH1 ARG 59 1HH1 ARG 59 -4.390 4.861 -12.890 446 2HH1 ARG 59 2HH1 ARG 59 -5.335 5.825 -13.938 447 1HH2 ARG 59 1HH2 ARG 59 -3.131 5.665 -16.696 448 2HH2 ARG 59 2HH2 ARG 59 -4.612 6.271 -16.128 449 H LEU 60 H LEU 60 -3.655 -0.527 -11.484 450 HA LEU 60 HA LEU 60 -2.573 -1.719 -9.115 451 1HB LEU 60 2HB LEU 60 -4.752 -2.709 -8.454 452 2HB LEU 60 1HB LEU 60 -4.694 -0.975 -8.256 453 HG LEU 60 HG LEU 60 -5.928 -0.888 -10.523 454 1HD1 LEU 60 1HD1 LEU 60 -7.378 -2.767 -11.015 455 2HD1 LEU 60 2HD1 LEU 60 -6.556 -3.731 -9.786 456 3HD1 LEU 60 3HD1 LEU 60 -5.674 -3.179 -11.213 457 1HD2 LEU 60 1HD2 LEU 60 -6.870 -0.311 -8.334 458 2HD2 LEU 60 2HD2 LEU 60 -7.427 -2.009 -8.192 459 3HD2 LEU 60 3HD2 LEU 60 -8.035 -0.974 -9.465 460 H ILE 61 H ILE 61 -2.238 -3.887 -9.333 461 HA ILE 61 HA ILE 61 -2.851 -4.970 -11.974 462 HB ILE 61 HB ILE 61 -0.532 -5.482 -10.141 463 1HG1 ILE 61 2HG1 ILE 61 -0.598 -4.309 -12.897 464 2HG1 ILE 61 1HG1 ILE 61 -0.464 -3.367 -11.421 465 1HG2 ILE 61 1HG2 ILE 61 -1.188 -7.553 -11.283 466 2HG2 ILE 61 2HG2 ILE 61 0.331 -6.955 -11.956 467 3HG2 ILE 61 3HG2 ILE 61 -1.177 -6.717 -12.836 468 1HD1 ILE 61 1HD1 ILE 61 1.699 -3.634 -12.487 469 2HD1 ILE 61 2HD1 ILE 61 1.520 -5.389 -12.467 470 3HD1 ILE 61 3HD1 ILE 61 1.675 -4.498 -10.950 471 H TYR 62 H TYR 62 -4.252 -6.543 -11.848 472 HA TYR 62 HA TYR 62 -4.547 -7.907 -9.299 473 1HB TYR 62 2HB TYR 62 -6.637 -6.891 -9.977 474 2HB TYR 62 1HB TYR 62 -6.497 -7.583 -11.587 475 HD1 TYR 62 1HD TYR 62 -6.402 -8.910 -8.088 476 HD2 TYR 62 2HD TYR 62 -8.016 -9.256 -12.002 477 HE1 TYR 62 1HE TYR 62 -7.703 -10.847 -7.377 478 HE2 TYR 62 2HE TYR 62 -9.339 -11.188 -11.301 479 HH TYR 62 HH TYR 62 -9.698 -12.090 -8.052 480 H GLN 63 H GLN 63 -2.852 -9.169 -9.527 481 HA GLN 63 HA GLN 63 -1.560 -10.895 -10.142 482 1HB GLN 63 2HB GLN 63 -4.304 -12.077 -10.370 483 2HB GLN 63 1HB GLN 63 -2.830 -13.047 -10.329 484 1HG GLN 63 2HG GLN 63 -2.346 -12.219 -8.090 485 2HG GLN 63 1HG GLN 63 -3.752 -11.164 -8.151 486 1HE2 GLN 63 1HE2 GLN 63 -3.784 -14.416 -9.410 487 2HE2 GLN 63 2HE2 GLN 63 -4.816 -15.093 -8.214 488 H GLY 64 H GLY 64 -0.888 -9.701 -12.071 489 1HA GLY 64 2HA GLY 64 -0.161 -10.739 -14.206 490 2HA GLY 64 1HA GLY 64 -1.866 -11.034 -14.498 491 H ARG 65 H ARG 65 -3.253 -8.932 -14.433 492 HA ARG 65 HA ARG 65 -1.728 -6.964 -16.026 493 1HB ARG 65 2HB ARG 65 -3.639 -6.642 -17.479 494 2HB ARG 65 1HB ARG 65 -3.199 -8.337 -17.437 495 1HG ARG 65 2HG ARG 65 -5.062 -8.749 -15.859 496 2HG ARG 65 1HG ARG 65 -5.508 -7.049 -15.985 497 1HD ARG 65 2HD ARG 65 -5.813 -7.348 -18.429 498 2HD ARG 65 1HD ARG 65 -5.463 -9.056 -18.249 499 HE ARG 65 HE ARG 65 -7.835 -7.646 -17.263 500 1HH1 ARG 65 1HH1 ARG 65 -6.167 -10.736 -17.832 501 2HH1 ARG 65 2HH1 ARG 65 -7.574 -11.664 -17.706 502 1HH2 ARG 65 1HH2 ARG 65 -9.772 -8.955 -17.098 503 2HH2 ARG 65 2HH2 ARG 65 -9.659 -10.655 -17.268 504 H PHE 66 H PHE 66 -2.748 -4.808 -16.239 505 HA PHE 66 HA PHE 66 -3.561 -3.775 -13.644 506 1HB PHE 66 2HB PHE 66 -3.123 -2.394 -16.302 507 2HB PHE 66 1HB PHE 66 -3.372 -1.574 -14.776 508 HD1 PHE 66 1HD PHE 66 -1.485 -1.134 -13.318 509 HD2 PHE 66 2HD PHE 66 -1.010 -3.651 -16.733 510 HE1 PHE 66 1HE PHE 66 0.934 -1.019 -13.083 511 HE2 PHE 66 2HE PHE 66 1.415 -3.535 -16.473 512 HZ PHE 66 HZ PHE 66 2.396 -2.213 -14.650 513 H LEU 67 H LEU 67 -5.708 -3.812 -13.209 514 HA LEU 67 HA LEU 67 -7.580 -4.175 -15.411 515 1HB LEU 67 2HB LEU 67 -8.190 -3.980 -12.482 516 2HB LEU 67 1HB LEU 67 -9.378 -4.265 -13.730 517 HG LEU 67 HG LEU 67 -7.131 -6.092 -12.918 518 1HD1 LEU 67 1HD1 LEU 67 -8.983 -7.544 -12.200 519 2HD1 LEU 67 2HD1 LEU 67 -10.132 -6.317 -12.722 520 3HD1 LEU 67 3HD1 LEU 67 -9.043 -5.977 -11.400 521 1HD2 LEU 67 1HD2 LEU 67 -7.485 -6.236 -15.334 522 2HD2 LEU 67 2HD2 LEU 67 -9.217 -6.429 -15.064 523 3HD2 LEU 67 3HD2 LEU 67 -8.097 -7.680 -14.524 524 H HIS 68 H HIS 68 -7.115 -1.573 -13.033 525 HA HIS 68 HA HIS 68 -8.149 0.439 -14.741 526 1HB HIS 68 2HB HIS 68 -10.262 -0.916 -14.187 527 2HB HIS 68 1HB HIS 68 -9.960 -0.482 -12.514 528 HD1 HIS 68 1HD HIS 68 -11.821 0.543 -15.438 529 HD2 HIS 68 2HD HIS 68 -10.199 2.454 -12.145 530 HE1 HIS 68 1HE HIS 68 -13.047 2.716 -15.250 531 HE2 HIS 68 2HE HIS 68 -12.328 3.626 -13.068 532 H GLY 69 H GLY 69 -7.968 2.492 -13.651 533 1HA GLY 69 2HA GLY 69 -5.935 2.494 -11.676 534 2HA GLY 69 1HA GLY 69 -6.725 3.884 -12.370 535 H ASN 70 H ASN 70 -9.033 1.815 -10.939 536 HA ASN 70 HA ASN 70 -9.024 2.911 -8.319 537 1HB ASN 70 2HB ASN 70 -9.426 5.016 -9.646 538 2HB ASN 70 1HB ASN 70 -10.902 4.298 -10.275 539 1HD2 ASN 70 1HD2 ASN 70 -12.196 5.933 -9.405 540 2HD2 ASN 70 2HD2 ASN 70 -12.491 6.072 -7.710 541 H VAL 71 H VAL 71 -9.635 0.413 -9.820 542 HA VAL 71 HA VAL 71 -12.501 0.189 -9.527 543 HB VAL 71 HB VAL 71 -11.481 -0.825 -11.513 544 1HG1 VAL 71 1HG1 VAL 71 -10.206 -2.923 -11.363 545 2HG1 VAL 71 2HG1 VAL 71 -10.107 -2.698 -9.613 546 3HG1 VAL 71 3HG1 VAL 71 -9.349 -1.530 -10.713 547 1HG2 VAL 71 1HG2 VAL 71 -12.669 -2.859 -9.693 548 2HG2 VAL 71 2HG2 VAL 71 -12.540 -3.024 -11.447 549 3HG2 VAL 71 3HG2 VAL 71 -13.560 -1.758 -10.744 550 H THR 72 H THR 72 -13.570 -1.165 -8.108 551 HA THR 72 HA THR 72 -12.238 -1.426 -5.593 552 HB THR 72 HB THR 72 -14.497 -2.094 -4.789 553 HG1 THR 72 1HG THR 72 -16.180 -2.116 -6.157 554 1HG2 THR 72 1HG2 THR 72 -15.546 0.109 -5.139 555 2HG2 THR 72 2HG2 THR 72 -14.402 0.442 -6.439 556 3HG2 THR 72 3HG2 THR 72 -13.826 0.266 -4.783 557 H LEU 73 H LEU 73 -12.449 -3.403 -4.283 558 HA LEU 73 HA LEU 73 -11.336 -5.603 -5.636 559 1HB LEU 73 2HB LEU 73 -12.511 -5.508 -2.872 560 2HB LEU 73 1HB LEU 73 -11.470 -6.760 -3.498 561 HG LEU 73 HG LEU 73 -10.112 -5.519 -2.151 562 1HD1 LEU 73 1HD1 LEU 73 -8.489 -4.369 -3.557 563 2HD1 LEU 73 2HD1 LEU 73 -9.641 -4.445 -4.885 564 3HD1 LEU 73 3HD1 LEU 73 -9.008 -5.934 -4.184 565 1HD2 LEU 73 1HD2 LEU 73 -11.557 -3.624 -1.721 566 2HD2 LEU 73 2HD2 LEU 73 -11.150 -2.937 -3.303 567 3HD2 LEU 73 3HD2 LEU 73 -9.914 -3.118 -2.073 568 H GLY 74 H GLY 74 -14.634 -4.878 -4.640 569 1HA GLY 74 2HA GLY 74 -15.638 -7.519 -5.011 570 2HA GLY 74 1HA GLY 74 -16.612 -6.054 -4.995 571 H ALA 75 H ALA 75 -15.039 -4.840 -7.117 572 HA ALA 75 HA ALA 75 -16.458 -5.839 -9.376 573 1HB ALA 75 1HB ALA 75 -15.356 -4.021 -10.581 574 2HB ALA 75 2HB ALA 75 -14.300 -3.756 -9.200 575 3HB ALA 75 3HB ALA 75 -16.027 -3.445 -9.054 576 H LEU 76 H LEU 76 -13.488 -6.565 -7.924 577 HA LEU 76 HA LEU 76 -12.079 -7.502 -10.273 578 1HB LEU 76 2HB LEU 76 -11.649 -8.029 -7.357 579 2HB LEU 76 1HB LEU 76 -10.488 -8.373 -8.631 580 HG LEU 76 HG LEU 76 -11.379 -5.654 -7.639 581 1HD1 LEU 76 1HD1 LEU 76 -9.945 -6.921 -6.144 582 2HD1 LEU 76 2HD1 LEU 76 -9.123 -5.524 -6.841 583 3HD1 LEU 76 3HD1 LEU 76 -8.792 -7.144 -7.454 584 1HD2 LEU 76 1HD2 LEU 76 -10.872 -5.642 -10.033 585 2HD2 LEU 76 2HD2 LEU 76 -9.340 -6.446 -9.637 586 3HD2 LEU 76 3HD2 LEU 76 -9.633 -4.799 -9.076 587 H LYS 77 H LYS 77 -14.795 -8.496 -9.058 588 HA LYS 77 HA LYS 77 -16.050 -10.342 -9.035 589 1HB LYS 77 2HB LYS 77 -13.713 -11.638 -10.487 590 2HB LYS 77 1HB LYS 77 -15.245 -12.444 -10.223 591 1HG LYS 77 2HG LYS 77 -15.285 -11.677 -12.447 592 2HG LYS 77 1HG LYS 77 -16.285 -10.535 -11.557 593 1HD LYS 77 2HD LYS 77 -14.311 -9.017 -11.424 594 2HD LYS 77 1HD LYS 77 -13.419 -10.138 -12.441 595 1HE LYS 77 2HE LYS 77 -15.945 -8.651 -13.173 596 2HE LYS 77 1HE LYS 77 -14.328 -8.323 -13.779 597 1HZ LYS 77 1HZ LYS 77 -14.326 -10.500 -14.838 598 2HZ LYS 77 2HZ LYS 77 -15.592 -9.551 -15.370 599 3HZ LYS 77 3HZ LYS 77 -15.902 -10.804 -14.289 600 H LEU 78 H LEU 78 -13.995 -9.707 -6.979 601 HA LEU 78 HA LEU 78 -13.309 -12.248 -5.818 602 1HB LEU 78 2HB LEU 78 -13.061 -9.458 -4.735 603 2HB LEU 78 1HB LEU 78 -12.399 -10.896 -3.990 604 HG LEU 78 HG LEU 78 -11.598 -9.761 -6.646 605 1HD1 LEU 78 1HD1 LEU 78 -9.498 -9.220 -5.518 606 2HD1 LEU 78 2HD1 LEU 78 -10.162 -9.822 -3.995 607 3HD1 LEU 78 3HD1 LEU 78 -10.865 -8.399 -4.765 608 1HD2 LEU 78 1HD2 LEU 78 -11.381 -12.160 -6.647 609 2HD2 LEU 78 2HD2 LEU 78 -10.542 -12.102 -5.093 610 3HD2 LEU 78 3HD2 LEU 78 -9.788 -11.406 -6.527 611 HA PRO 79 HA PRO 79 -17.101 -12.209 -3.482 612 1HB PRO 79 2HB PRO 79 -16.919 -14.763 -2.596 613 2HB PRO 79 1HB PRO 79 -17.485 -14.366 -4.221 614 1HG PRO 79 2HG PRO 79 -14.889 -15.481 -3.344 615 2HG PRO 79 1HG PRO 79 -15.734 -15.673 -4.886 616 1HD PRO 79 2HD PRO 79 -13.565 -13.949 -4.354 617 2HD PRO 79 1HD PRO 79 -14.594 -13.950 -5.799 618 H PHE 80 H PHE 80 -17.391 -11.706 -1.374 619 HA PHE 80 HA PHE 80 -15.130 -11.460 0.272 620 1HB PHE 80 2HB PHE 80 -16.905 -10.847 2.057 621 2HB PHE 80 1HB PHE 80 -16.630 -9.762 0.705 622 HD1 PHE 80 1HD PHE 80 -18.851 -12.491 1.903 623 HD2 PHE 80 2HD PHE 80 -18.340 -9.115 -0.605 624 HE1 PHE 80 1HE PHE 80 -21.249 -12.557 1.355 625 HE2 PHE 80 2HE PHE 80 -20.754 -9.161 -1.176 626 HZ PHE 80 HZ PHE 80 -22.200 -10.886 -0.192 627 H GLY 81 H GLY 81 -14.736 -12.278 2.302 628 1HA GLY 81 2HA GLY 81 -14.732 -14.025 3.849 629 2HA GLY 81 1HA GLY 81 -15.826 -14.931 2.830 630 H LYS 82 H LYS 82 -13.379 -13.651 0.908 631 HA LYS 82 HA LYS 82 -11.776 -16.109 1.174 632 1HB LYS 82 2HB LYS 82 -12.337 -14.659 -1.427 633 2HB LYS 82 1HB LYS 82 -11.511 -16.196 -1.231 634 1HG LYS 82 2HG LYS 82 -14.444 -15.646 -0.771 635 2HG LYS 82 1HG LYS 82 -13.726 -16.558 -2.091 636 1HD LYS 82 2HD LYS 82 -12.989 -18.289 -0.552 637 2HD LYS 82 1HD LYS 82 -13.576 -17.345 0.823 638 1HE LYS 82 2HE LYS 82 -15.860 -17.470 -0.110 639 2HE LYS 82 1HE LYS 82 -15.241 -18.489 -1.408 640 1HZ LYS 82 1HZ LYS 82 -15.172 -19.149 1.479 641 2HZ LYS 82 2HZ LYS 82 -14.638 -20.157 0.238 642 3HZ LYS 82 3HZ LYS 82 -16.279 -19.742 0.363 643 H THR 83 H THR 83 -9.521 -15.827 0.191 644 HA THR 83 HA THR 83 -8.484 -13.192 0.954 645 HB THR 83 HB THR 83 -7.067 -15.873 0.814 646 HG1 THR 83 1HG THR 83 -7.265 -15.945 2.972 647 1HG2 THR 83 1HG2 THR 83 -5.539 -13.985 0.450 648 2HG2 THR 83 2HG2 THR 83 -5.247 -14.717 2.030 649 3HG2 THR 83 3HG2 THR 83 -6.145 -13.205 1.909 650 H THR 84 H THR 84 -7.384 -11.999 -0.518 651 HA THR 84 HA THR 84 -6.438 -13.311 -2.949 652 HB THR 84 HB THR 84 -8.192 -10.841 -2.969 653 HG1 THR 84 1HG THR 84 -8.690 -13.458 -2.963 654 1HG2 THR 84 1HG2 THR 84 -8.092 -11.055 -5.405 655 2HG2 THR 84 2HG2 THR 84 -7.003 -12.434 -5.261 656 3HG2 THR 84 3HG2 THR 84 -6.468 -10.832 -4.756 657 H VAL 85 H VAL 85 -4.591 -12.398 -3.863 658 HA VAL 85 HA VAL 85 -3.383 -10.160 -2.403 659 HB VAL 85 HB VAL 85 -2.106 -12.290 -2.288 660 1HG1 VAL 85 1HG1 VAL 85 -1.897 -12.051 -5.284 661 2HG1 VAL 85 2HG1 VAL 85 -2.775 -13.289 -4.394 662 3HG1 VAL 85 3HG1 VAL 85 -1.015 -13.203 -4.282 663 1HG2 VAL 85 1HG2 VAL 85 -0.760 -10.146 -3.928 664 2HG2 VAL 85 2HG2 VAL 85 0.082 -11.408 -3.041 665 3HG2 VAL 85 3HG2 VAL 85 -0.863 -10.200 -2.169 666 H MET 86 H MET 86 -2.546 -8.414 -3.554 667 HA MET 86 HA MET 86 -2.860 -8.449 -6.463 668 1HB MET 86 2HB MET 86 -3.876 -6.263 -4.658 669 2HB MET 86 1HB MET 86 -3.730 -6.138 -6.403 670 1HG MET 86 2HG MET 86 -5.325 -7.927 -6.672 671 2HG MET 86 1HG MET 86 -5.491 -8.080 -4.929 672 1HE MET 86 1HE MET 86 -5.154 -4.834 -7.212 673 2HE MET 86 2HE MET 86 -6.876 -4.476 -7.440 674 3HE MET 86 3HE MET 86 -6.191 -5.963 -8.088 675 H HIS 87 H HIS 87 -1.602 -6.927 -7.547 676 HA HIS 87 HA HIS 87 0.720 -6.065 -5.964 677 1HB HIS 87 2HB HIS 87 0.549 -6.366 -8.990 678 2HB HIS 87 1HB HIS 87 1.918 -5.912 -7.951 679 HD1 HIS 87 1HD HIS 87 3.532 -7.730 -7.629 680 HD2 HIS 87 2HD HIS 87 -0.293 -9.243 -8.303 681 HE1 HIS 87 1HE HIS 87 3.784 -10.208 -7.696 682 HE2 HIS 87 2HE HIS 87 1.515 -11.082 -8.292 683 H LEU 88 H LEU 88 1.060 -3.876 -5.779 684 HA LEU 88 HA LEU 88 -0.761 -2.217 -7.357 685 1HB LEU 88 2HB LEU 88 0.181 -1.816 -4.518 686 2HB LEU 88 1HB LEU 88 -0.723 -0.633 -5.436 687 HG LEU 88 HG LEU 88 -2.211 -1.703 -3.901 688 1HD1 LEU 88 1HD1 LEU 88 -3.182 -1.161 -6.016 689 2HD1 LEU 88 2HD1 LEU 88 -3.918 -2.618 -5.350 690 3HD1 LEU 88 3HD1 LEU 88 -2.747 -2.745 -6.658 691 1HD2 LEU 88 1HD2 LEU 88 -1.352 -4.334 -5.089 692 2HD2 LEU 88 2HD2 LEU 88 -2.666 -4.116 -3.937 693 3HD2 LEU 88 3HD2 LEU 88 -1.007 -3.761 -3.456 694 H VAL 89 H VAL 89 -0.001 -0.289 -8.181 695 HA VAL 89 HA VAL 89 2.815 0.275 -7.736 696 HB VAL 89 HB VAL 89 3.215 0.740 -10.106 697 1HG1 VAL 89 1HG1 VAL 89 3.116 -1.492 -11.069 698 2HG1 VAL 89 2HG1 VAL 89 2.023 -1.993 -9.793 699 3HG1 VAL 89 3HG1 VAL 89 3.691 -1.535 -9.395 700 1HG2 VAL 89 1HG2 VAL 89 0.950 1.414 -10.721 701 2HG2 VAL 89 2HG2 VAL 89 0.433 -0.283 -10.679 702 3HG2 VAL 89 3HG2 VAL 89 1.646 0.261 -11.845 703 H ALA 90 H ALA 90 3.243 2.398 -7.485 704 HA ALA 90 HA ALA 90 1.191 4.293 -8.292 705 1HB ALA 90 1HB ALA 90 1.369 5.543 -6.234 706 2HB ALA 90 2HB ALA 90 2.523 4.374 -5.582 707 3HB ALA 90 3HB ALA 90 0.850 3.891 -5.891 708 H ARG 91 H ARG 91 1.889 6.115 -9.028 709 HA ARG 91 HA ARG 91 4.789 6.540 -9.339 710 1HB ARG 91 2HB ARG 91 2.619 6.677 -11.096 711 2HB ARG 91 1HB ARG 91 2.859 8.341 -10.591 712 1HG ARG 91 2HG ARG 91 4.946 6.598 -11.890 713 2HG ARG 91 1HG ARG 91 3.966 7.791 -12.718 714 1HD ARG 91 2HD ARG 91 4.994 9.553 -11.317 715 2HD ARG 91 1HD ARG 91 6.000 8.323 -10.551 716 HE ARG 91 HE ARG 91 6.423 7.968 -13.206 717 1HH1 ARG 91 1HH1 ARG 91 6.891 10.777 -11.032 718 2HH1 ARG 91 2HH1 ARG 91 8.132 11.424 -11.983 719 1HH2 ARG 91 1HH2 ARG 91 8.179 8.897 -14.440 720 2HH2 ARG 91 2HH2 ARG 91 8.882 10.357 -13.923 721 H GLU 92 H GLU 92 5.589 8.528 -8.360 722 HA GLU 92 HA GLU 92 5.663 10.188 -6.782 723 1HB GLU 92 2HB GLU 92 2.758 10.719 -7.507 724 2HB GLU 92 1HB GLU 92 3.887 11.858 -6.797 725 1HG GLU 92 2HG GLU 92 3.874 10.777 -9.599 726 2HG GLU 92 1HG GLU 92 3.569 12.433 -9.082 727 H THR 93 H THR 93 5.343 7.790 -5.766 728 HA THR 93 HA THR 93 3.074 7.128 -4.402 729 HB THR 93 HB THR 93 4.878 5.527 -4.868 730 HG1 THR 93 1HG THR 93 4.984 5.203 -2.210 731 1HG2 THR 93 1HG2 THR 93 6.817 6.959 -4.375 732 2HG2 THR 93 2HG2 THR 93 6.898 5.455 -3.458 733 3HG2 THR 93 3HG2 THR 93 6.389 6.945 -2.664 734 H LEU 94 H LEU 94 2.968 6.826 -2.103 735 HA LEU 94 HA LEU 94 2.661 9.279 -0.706 736 1HB LEU 94 2HB LEU 94 1.290 7.185 -0.443 737 2HB LEU 94 1HB LEU 94 2.668 6.456 0.350 738 HG LEU 94 HG LEU 94 2.459 8.191 2.129 739 1HD1 LEU 94 1HD1 LEU 94 0.352 9.402 2.337 740 2HD1 LEU 94 2HD1 LEU 94 -0.193 8.727 0.809 741 3HD1 LEU 94 3HD1 LEU 94 1.155 9.855 0.830 742 1HD2 LEU 94 1HD2 LEU 94 1.620 5.938 2.432 743 2HD2 LEU 94 2HD2 LEU 94 0.091 6.391 1.677 744 3HD2 LEU 94 3HD2 LEU 94 0.561 7.105 3.220 745 HA PRO 95 HA PRO 95 6.714 9.633 1.380 746 1HB PRO 95 2HB PRO 95 4.979 10.289 3.720 747 2HB PRO 95 1HB PRO 95 6.394 11.144 3.100 748 1HG PRO 95 2HG PRO 95 3.977 12.114 2.646 749 2HG PRO 95 1HG PRO 95 5.199 12.134 1.360 750 1HD PRO 95 2HD PRO 95 2.867 10.310 1.729 751 2HD PRO 95 1HD PRO 95 3.532 11.005 0.232 752 H GLU 96 H GLU 96 7.839 8.540 3.124 753 HA GLU 96 HA GLU 96 6.424 6.204 4.156 754 1HB GLU 96 2HB GLU 96 8.392 4.833 3.502 755 2HB GLU 96 1HB GLU 96 7.504 5.475 2.130 756 1HG GLU 96 2HG GLU 96 9.166 7.284 1.937 757 2HG GLU 96 1HG GLU 96 10.069 6.557 3.260 758 HA PRO 97 HA PRO 97 8.814 7.050 7.908 759 1HB PRO 97 2HB PRO 97 9.403 4.357 8.491 760 2HB PRO 97 1HB PRO 97 7.997 5.246 9.099 761 1HG PRO 97 2HG PRO 97 8.226 3.320 6.840 762 2HG PRO 97 1HG PRO 97 6.853 3.628 7.918 763 1HD PRO 97 2HD PRO 97 6.916 4.487 5.373 764 2HD PRO 97 1HD PRO 97 6.117 5.415 6.653 765 H ASN 98 H ASN 98 10.035 4.105 6.381 766 HA ASN 98 HA ASN 98 12.159 5.196 5.018 767 1HB ASN 98 2HB ASN 98 14.132 4.399 6.346 768 2HB ASN 98 1HB ASN 98 13.265 5.690 7.154 769 1HD2 ASN 98 1HD2 ASN 98 12.148 5.196 9.093 770 2HD2 ASN 98 2HD2 ASN 98 12.468 3.758 9.972 771 H SER 99 H SER 99 11.443 3.913 3.425 772 HA SER 99 HA SER 99 11.267 2.241 2.073 773 1HB SER 99 2HB SER 99 13.066 0.509 2.056 774 2HB SER 99 1HB SER 99 13.642 2.170 2.151 775 HG SER 99 HG SER 99 14.735 1.417 3.758 776 H GLN 100 H GLN 100 11.058 1.018 5.335 777 HA GLN 100 HA GLN 100 10.171 -1.606 4.525 778 1HB GLN 100 2HB GLN 100 10.060 -0.289 7.222 779 2HB GLN 100 1HB GLN 100 9.768 -1.986 6.896 780 1HG GLN 100 2HG GLN 100 12.346 -0.501 6.523 781 2HG GLN 100 1HG GLN 100 11.941 -1.620 7.829 782 1HE2 GLN 100 1HE2 GLN 100 12.812 -1.306 4.500 783 2HE2 GLN 100 2HE2 GLN 100 13.115 -2.976 4.211 784 H GLY 101 H GLY 101 8.604 1.179 6.111 785 1HA GLY 101 2HA GLY 101 6.372 1.659 6.464 786 2HA GLY 101 1HA GLY 101 6.028 0.675 5.032 787 H GLN 102 H GLN 102 7.547 -0.092 8.118 788 HA GLN 102 HA GLN 102 6.402 -2.658 8.010 789 1HB GLN 102 2HB GLN 102 8.622 -2.445 8.863 790 2HB GLN 102 1HB GLN 102 8.073 -1.405 10.164 791 1HG GLN 102 2HG GLN 102 8.545 -3.657 10.960 792 2HG GLN 102 1HG GLN 102 6.850 -3.239 11.159 793 1HE2 GLN 102 1HE2 GLN 102 8.136 -5.828 11.055 794 2HE2 GLN 102 2HE2 GLN 102 7.387 -6.727 9.786 795 H ARG 103 H ARG 103 4.791 -3.460 8.668 796 HA ARG 103 HA ARG 103 3.291 -2.913 11.019 797 1HB ARG 103 2HB ARG 103 2.026 -2.366 8.299 798 2HB ARG 103 1HB ARG 103 1.141 -2.556 9.792 799 1HG ARG 103 2HG ARG 103 2.167 -0.517 10.648 800 2HG ARG 103 1HG ARG 103 3.072 -0.350 9.141 801 1HD ARG 103 2HD ARG 103 0.999 -0.179 7.888 802 2HD ARG 103 1HD ARG 103 0.068 -0.415 9.367 803 HE ARG 103 HE ARG 103 1.890 1.744 9.523 804 1HH1 ARG 103 1HH1 ARG 103 -1.297 0.855 8.270 805 2HH1 ARG 103 2HH1 ARG 103 -1.969 2.405 8.442 806 1HH2 ARG 103 1HH2 ARG 103 0.980 3.881 9.770 807 2HH2 ARG 103 2HH2 ARG 103 -0.632 4.182 9.347 808 H ASN 104 H ASN 104 1.977 -4.741 11.339 809 HA ASN 104 HA ASN 104 2.069 -6.767 9.197 810 1HB ASN 104 2HB ASN 104 2.004 -7.334 12.223 811 2HB ASN 104 1HB ASN 104 2.004 -8.522 10.943 812 1HD2 ASN 104 1HD2 ASN 104 3.902 -9.147 10.033 813 2HD2 ASN 104 2HD2 ASN 104 5.421 -8.532 10.584 814 H ARG 105 H ARG 105 0.036 -8.445 10.161 815 HA ARG 105 HA ARG 105 -2.178 -6.653 10.074 816 1HB ARG 105 2HB ARG 105 -2.338 -9.019 9.239 817 2HB ARG 105 1HB ARG 105 -2.242 -9.565 10.909 818 1HG ARG 105 2HG ARG 105 -4.299 -8.507 11.460 819 2HG ARG 105 1HG ARG 105 -4.355 -7.682 9.904 820 1HD ARG 105 2HD ARG 105 -4.503 -9.820 8.794 821 2HD ARG 105 1HD ARG 105 -4.540 -10.644 10.362 822 HE ARG 105 HE ARG 105 -6.566 -8.963 10.651 823 1HH1 ARG 105 1HH1 ARG 105 -5.792 -11.019 7.869 824 2HH1 ARG 105 2HH1 ARG 105 -7.385 -11.162 7.323 825 1HH2 ARG 105 1HH2 ARG 105 -8.811 -9.233 9.953 826 2HH2 ARG 105 2HH2 ARG 105 -9.151 -10.182 8.586 827 H GLU 106 H GLU 106 -0.388 -8.370 12.480 828 HA GLU 106 HA GLU 106 -0.111 -8.183 14.687 829 1HB GLU 106 2HB GLU 106 -1.006 -5.327 14.152 830 2HB GLU 106 1HB GLU 106 -0.201 -5.865 15.628 831 1HG GLU 106 2HG GLU 106 1.741 -6.617 14.277 832 2HG GLU 106 1HG GLU 106 0.871 -6.032 12.858 833 H LYS 107 H LYS 107 -1.535 -6.829 16.758 834 HA LYS 107 HA LYS 107 -3.767 -8.668 16.786 835 1HB LYS 107 2HB LYS 107 -2.049 -8.302 18.720 836 2HB LYS 107 1HB LYS 107 -2.908 -6.815 19.043 837 1HG LYS 107 2HG LYS 107 -4.182 -9.568 19.176 838 2HG LYS 107 1HG LYS 107 -3.475 -8.749 20.557 839 1HD LYS 107 2HD LYS 107 -5.129 -6.940 20.292 840 2HD LYS 107 1HD LYS 107 -5.812 -7.788 18.907 841 1HE LYS 107 2HE LYS 107 -5.698 -8.866 21.729 842 2HE LYS 107 1HE LYS 107 -7.111 -8.135 20.978 843 1HZ LYS 107 1HZ LYS 107 -5.776 -10.649 20.065 844 2HZ LYS 107 2HZ LYS 107 -7.141 -9.926 19.362 845 3HZ LYS 107 3HZ LYS 107 -7.238 -10.525 20.900 846 H THR 108 H THR 108 -3.198 -5.593 15.840 847 HA THR 108 HA THR 108 -5.793 -4.531 16.584 848 HB THR 108 HB THR 108 -3.620 -3.286 14.969 849 HG1 THR 108 1HG THR 108 -3.029 -3.850 17.144 850 1HG2 THR 108 1HG2 THR 108 -4.726 -1.148 15.596 851 2HG2 THR 108 2HG2 THR 108 -5.982 -2.067 16.422 852 3HG2 THR 108 3HG2 THR 108 -5.799 -2.199 14.674 853 H GLY 109 H GLY 109 -7.272 -5.688 15.379 854 1HA GLY 109 2HA GLY 109 -8.634 -5.775 13.469 855 2HA GLY 109 1HA GLY 109 -7.303 -5.125 12.513 856 H GLU 110 H GLU 110 -7.284 -7.840 14.718 857 HA GLU 110 HA GLU 110 -6.217 -9.471 12.559 858 1HB GLU 110 2HB GLU 110 -5.443 -11.005 14.390 859 2HB GLU 110 1HB GLU 110 -4.694 -9.426 14.335 860 1HG GLU 110 2HG GLU 110 -5.111 -10.129 16.622 861 2HG GLU 110 1HG GLU 110 -6.067 -8.703 16.235 862 H SER 111 H SER 111 -6.541 -11.882 13.176 863 HA SER 111 HA SER 111 -9.206 -12.546 13.990 864 1HB SER 111 2HB SER 111 -8.024 -13.362 11.318 865 2HB SER 111 1HB SER 111 -9.579 -13.888 11.972 866 HG SER 111 HG SER 111 -9.593 -11.283 12.059 867 H ASN 112 H ASN 112 -8.385 -13.655 15.702 868 HA ASN 112 HA ASN 112 -5.926 -15.092 15.519 869 1HB ASN 112 2HB ASN 112 -6.697 -13.923 17.591 870 2HB ASN 112 1HB ASN 112 -7.949 -15.140 17.764 871 1HD2 ASN 112 1HD2 ASN 112 -7.389 -17.196 18.502 872 2HD2 ASN 112 2HD2 ASN 112 -5.814 -17.533 19.133 873 H CYS 113 H CYS 113 -6.165 -16.650 14.003 874 HA CYS 113 HA CYS 113 -7.642 -19.015 14.805 875 1HB CYS 113 2HB CYS 113 -7.999 -17.683 12.109 876 2HB CYS 113 1HB CYS 113 -8.668 -19.240 12.580 877 HG CYS 113 HG CYS 113 -9.606 -17.054 14.783 878 H CYS 114 H CYS 114 -6.943 -20.871 13.566 879 HA CYS 114 HA CYS 114 -4.178 -20.716 12.725 880 1HB CYS 114 2HB CYS 114 -6.076 -23.074 12.865 881 2HB CYS 114 1HB CYS 114 -4.331 -23.159 12.662 882 HG CYS 114 HG CYS 114 -5.863 -23.536 15.339 883 H VAL 115 H VAL 115 -3.854 -20.111 10.677 884 HA VAL 115 HA VAL 115 -6.026 -20.354 8.805 885 HB VAL 115 HB VAL 115 -4.729 -18.967 7.305 886 1HG1 VAL 115 1HG1 VAL 115 -4.712 -17.984 10.145 887 2HG1 VAL 115 2HG1 VAL 115 -6.056 -17.890 9.007 888 3HG1 VAL 115 3HG1 VAL 115 -4.587 -16.961 8.718 889 1HG2 VAL 115 1HG2 VAL 115 -2.521 -18.069 7.983 890 2HG2 VAL 115 2HG2 VAL 115 -2.488 -19.810 7.733 891 3HG2 VAL 115 3HG2 VAL 115 -2.519 -19.162 9.369 892 H ILE 116 H ILE 116 -5.818 -21.218 6.722 893 HA ILE 116 HA ILE 116 -3.802 -23.324 6.540 894 HB ILE 116 HB ILE 116 -5.961 -24.347 6.999 895 1HG1 ILE 116 2HG1 ILE 116 -6.235 -25.801 4.995 896 2HG1 ILE 116 1HG1 ILE 116 -5.176 -24.719 4.102 897 1HG2 ILE 116 1HG2 ILE 116 -7.031 -22.870 4.619 898 2HG2 ILE 116 2HG2 ILE 116 -7.475 -22.633 6.312 899 3HG2 ILE 116 3HG2 ILE 116 -7.879 -24.144 5.491 900 1HD1 ILE 116 1HD1 ILE 116 -3.356 -25.233 5.642 901 2HD1 ILE 116 2HD1 ILE 116 -3.996 -26.685 4.871 902 3HD1 ILE 116 3HD1 ILE 116 -4.424 -26.313 6.541 903 H LEU 117 H LEU 117 -2.514 -23.170 4.821 904 HA LEU 117 HA LEU 117 -3.257 -21.283 2.726 905 1HB LEU 117 2HB LEU 117 -1.054 -21.126 4.067 906 2HB LEU 117 1HB LEU 117 -0.558 -22.570 3.223 907 HG LEU 117 HG LEU 117 0.480 -20.583 2.263 908 1HD1 LEU 117 1HD1 LEU 117 -1.525 -21.755 0.361 909 2HD1 LEU 117 2HD1 LEU 117 0.088 -22.377 0.707 910 3HD1 LEU 117 3HD1 LEU 117 -0.104 -20.818 -0.090 911 1HD2 LEU 117 1HD2 LEU 117 -1.187 -18.936 2.855 912 2HD2 LEU 117 2HD2 LEU 117 -2.317 -19.628 1.691 913 3HD2 LEU 117 3HD2 LEU 117 -0.834 -18.861 1.132 Start of MODEL 8 1 H SER 2 H SER 2 -9.279 -7.346 12.058 2 HA SER 2 HA SER 2 -7.398 -8.793 10.374 3 1HB SER 2 2HB SER 2 -7.137 -8.246 13.336 4 2HB SER 2 1HB SER 2 -6.018 -9.212 12.367 5 HG SER 2 HG SER 2 -5.756 -7.285 11.075 6 H SER 3 H SER 3 -7.002 -10.933 12.187 7 HA SER 3 HA SER 3 -7.852 -12.868 12.928 8 1HB SER 3 2HB SER 3 -10.474 -11.355 13.239 9 2HB SER 3 1HB SER 3 -10.104 -12.928 13.947 10 HG SER 3 HG SER 3 -8.153 -11.339 14.626 11 H ASN 4 H ASN 4 -10.305 -14.136 12.468 12 HA ASN 4 HA ASN 4 -10.014 -15.107 9.877 13 1HB ASN 4 2HB ASN 4 -12.144 -16.262 10.176 14 2HB ASN 4 1HB ASN 4 -11.183 -16.376 11.643 15 1HD2 ASN 4 1HD2 ASN 4 -14.080 -16.597 11.139 16 2HD2 ASN 4 2HD2 ASN 4 -14.839 -15.470 12.195 17 H VAL 5 H VAL 5 -11.349 -14.945 8.051 18 HA VAL 5 HA VAL 5 -12.279 -12.232 7.603 19 HB VAL 5 HB VAL 5 -12.066 -14.528 5.659 20 1HG1 VAL 5 1HG1 VAL 5 -11.942 -12.761 3.959 21 2HG1 VAL 5 2HG1 VAL 5 -12.170 -11.566 5.228 22 3HG1 VAL 5 3HG1 VAL 5 -13.459 -12.719 4.866 23 1HG2 VAL 5 1HG2 VAL 5 -9.924 -13.647 4.958 24 2HG2 VAL 5 2HG2 VAL 5 -9.873 -14.132 6.650 25 3HG2 VAL 5 3HG2 VAL 5 -9.975 -12.419 6.218 26 HA PRO 6 HA PRO 6 -16.489 -13.985 8.121 27 1HB PRO 6 2HB PRO 6 -17.375 -11.242 7.858 28 2HB PRO 6 1HB PRO 6 -17.512 -12.297 9.255 29 1HG PRO 6 2HG PRO 6 -15.888 -10.124 9.176 30 2HG PRO 6 1HG PRO 6 -15.508 -11.562 10.145 31 1HD PRO 6 2HD PRO 6 -14.432 -10.705 7.493 32 2HD PRO 6 1HD PRO 6 -13.597 -11.460 8.871 33 H ALA 7 H ALA 7 -18.380 -14.011 6.738 34 HA ALA 7 HA ALA 7 -17.778 -13.356 4.041 35 1HB ALA 7 1HB ALA 7 -20.316 -14.469 5.220 36 2HB ALA 7 2HB ALA 7 -18.989 -15.419 4.526 37 3HB ALA 7 3HB ALA 7 -19.936 -14.331 3.500 38 H ASP 8 H ASP 8 -17.478 -11.262 4.540 39 HA ASP 8 HA ASP 8 -19.579 -9.548 3.699 40 1HB ASP 8 2HB ASP 8 -20.289 -9.683 6.044 41 2HB ASP 8 1HB ASP 8 -18.661 -9.293 6.583 42 H MET 9 H MET 9 -16.451 -10.160 4.954 43 HA MET 9 HA MET 9 -15.373 -7.662 3.808 44 1HB MET 9 2HB MET 9 -14.224 -9.522 5.895 45 2HB MET 9 1HB MET 9 -13.447 -8.078 5.281 46 1HG MET 9 2HG MET 9 -16.080 -8.051 6.708 47 2HG MET 9 1HG MET 9 -14.534 -7.876 7.546 48 1HE MET 9 1HE MET 9 -13.263 -4.464 6.139 49 2HE MET 9 2HE MET 9 -12.871 -6.051 5.517 50 3HE MET 9 3HE MET 9 -12.930 -5.787 7.263 51 H ILE 10 H ILE 10 -13.474 -7.890 2.513 52 HA ILE 10 HA ILE 10 -12.986 -10.632 1.662 53 HB ILE 10 HB ILE 10 -12.157 -9.650 -0.570 54 1HG1 ILE 10 2HG1 ILE 10 -13.372 -7.485 -1.176 55 2HG1 ILE 10 1HG1 ILE 10 -13.491 -7.290 0.573 56 1HG2 ILE 10 1HG2 ILE 10 -14.269 -10.788 -0.494 57 2HG2 ILE 10 2HG2 ILE 10 -14.308 -9.340 -1.539 58 3HG2 ILE 10 3HG2 ILE 10 -15.042 -9.277 0.051 59 1HD1 ILE 10 1HD1 ILE 10 -11.046 -7.250 0.706 60 2HD1 ILE 10 2HD1 ILE 10 -11.685 -6.013 -0.417 61 3HD1 ILE 10 3HD1 ILE 10 -11.003 -7.507 -1.054 62 H ASN 11 H ASN 11 -10.934 -11.441 1.534 63 HA ASN 11 HA ASN 11 -9.050 -10.028 3.228 64 1HB ASN 11 2HB ASN 11 -9.547 -12.492 3.419 65 2HB ASN 11 1HB ASN 11 -8.792 -12.734 1.866 66 1HD2 ASN 11 1HD2 ASN 11 -6.627 -10.707 2.630 67 2HD2 ASN 11 2HD2 ASN 11 -5.579 -11.581 3.677 68 H LEU 12 H LEU 12 -7.751 -8.551 2.286 69 HA LEU 12 HA LEU 12 -6.963 -9.056 -0.482 70 1HB LEU 12 2HB LEU 12 -8.473 -7.259 -0.447 71 2HB LEU 12 1HB LEU 12 -7.691 -6.527 0.934 72 HG LEU 12 HG LEU 12 -5.758 -5.981 -0.458 73 1HD1 LEU 12 1HD1 LEU 12 -5.877 -6.129 -2.890 74 2HD1 LEU 12 2HD1 LEU 12 -7.323 -7.144 -2.757 75 3HD1 LEU 12 3HD1 LEU 12 -5.775 -7.674 -2.077 76 1HD2 LEU 12 1HD2 LEU 12 -8.409 -5.000 -1.454 77 2HD2 LEU 12 2HD2 LEU 12 -6.861 -4.232 -1.798 78 3HD2 LEU 12 3HD2 LEU 12 -7.448 -4.338 -0.135 79 H ARG 13 H ARG 13 -4.930 -9.087 -0.945 80 HA ARG 13 HA ARG 13 -2.985 -8.097 0.996 81 1HB ARG 13 2HB ARG 13 -2.997 -10.555 0.465 82 2HB ARG 13 1HB ARG 13 -2.594 -10.124 -1.184 83 1HG ARG 13 2HG ARG 13 -0.497 -9.286 -0.577 84 2HG ARG 13 1HG ARG 13 -0.895 -9.301 1.144 85 1HD ARG 13 2HD ARG 13 -1.216 -11.737 0.955 86 2HD ARG 13 1HD ARG 13 -0.568 -11.651 -0.683 87 HE ARG 13 HE ARG 13 1.520 -10.891 0.270 88 1HH1 ARG 13 1HH1 ARG 13 -0.808 -12.317 2.551 89 2HH1 ARG 13 2HH1 ARG 13 0.389 -12.852 3.632 90 1HH2 ARG 13 1HH2 ARG 13 3.156 -11.583 1.828 91 2HH2 ARG 13 2HH2 ARG 13 2.664 -12.433 3.228 92 H LEU 14 H LEU 14 -1.968 -6.409 0.418 93 HA LEU 14 HA LEU 14 -2.085 -5.369 -2.311 94 1HB LEU 14 2HB LEU 14 -1.415 -3.934 0.343 95 2HB LEU 14 1HB LEU 14 -1.439 -3.172 -1.219 96 HG LEU 14 HG LEU 14 -3.298 -2.568 0.048 97 1HD1 LEU 14 1HD1 LEU 14 -3.635 -2.678 -2.322 98 2HD1 LEU 14 2HD1 LEU 14 -5.121 -3.075 -1.468 99 3HD1 LEU 14 3HD1 LEU 14 -4.158 -4.362 -2.205 100 1HD2 LEU 14 1HD2 LEU 14 -4.039 -5.468 0.138 101 2HD2 LEU 14 2HD2 LEU 14 -5.111 -4.153 0.615 102 3HD2 LEU 14 3HD2 LEU 14 -3.640 -4.478 1.540 103 H ILE 15 H ILE 15 -0.259 -5.496 -3.519 104 HA ILE 15 HA ILE 15 2.253 -6.117 -2.120 105 HB ILE 15 HB ILE 15 1.933 -6.006 -5.125 106 1HG1 ILE 15 2HG1 ILE 15 0.257 -7.615 -4.251 107 2HG1 ILE 15 1HG1 ILE 15 1.512 -8.393 -5.205 108 1HG2 ILE 15 1HG2 ILE 15 4.198 -5.999 -4.303 109 2HG2 ILE 15 2HG2 ILE 15 3.874 -7.566 -5.055 110 3HG2 ILE 15 3HG2 ILE 15 3.849 -7.392 -3.296 111 1HD1 ILE 15 1HD1 ILE 15 1.371 -8.257 -2.242 112 2HD1 ILE 15 2HD1 ILE 15 2.561 -9.118 -3.270 113 3HD1 ILE 15 3HD1 ILE 15 0.866 -9.631 -3.256 114 H LEU 16 H LEU 16 3.625 -4.527 -1.785 115 HA LEU 16 HA LEU 16 3.191 -1.931 -2.982 116 1HB LEU 16 2HB LEU 16 5.250 -2.935 -1.004 117 2HB LEU 16 1HB LEU 16 5.229 -1.300 -1.609 118 HG LEU 16 HG LEU 16 3.031 -0.928 -0.507 119 1HD1 LEU 16 1HD1 LEU 16 2.174 -2.526 1.114 120 2HD1 LEU 16 2HD1 LEU 16 3.413 -3.687 0.639 121 3HD1 LEU 16 3HD1 LEU 16 2.166 -3.205 -0.512 122 1HD2 LEU 16 1HD2 LEU 16 3.861 -0.895 1.770 123 2HD2 LEU 16 2HD2 LEU 16 5.116 -0.379 0.632 124 3HD2 LEU 16 3HD2 LEU 16 5.158 -1.997 1.322 125 H VAL 17 H VAL 17 4.930 -0.759 -4.122 126 HA VAL 17 HA VAL 17 5.998 -2.345 -6.190 127 HB VAL 17 HB VAL 17 7.090 -0.304 -7.028 128 1HG1 VAL 17 1HG1 VAL 17 4.264 0.108 -6.115 129 2HG1 VAL 17 2HG1 VAL 17 4.780 -0.721 -7.586 130 3HG1 VAL 17 3HG1 VAL 17 5.057 1.016 -7.403 131 1HG2 VAL 17 1HG2 VAL 17 7.728 0.716 -4.909 132 2HG2 VAL 17 2HG2 VAL 17 6.028 1.003 -4.526 133 3HG2 VAL 17 3HG2 VAL 17 6.782 1.841 -5.882 134 H SER 18 H SER 18 7.168 -1.661 -3.150 135 HA SER 18 HA SER 18 9.973 -1.865 -3.660 136 1HB SER 18 2HB SER 18 9.005 -0.793 -1.599 137 2HB SER 18 1HB SER 18 8.436 -2.398 -1.121 138 HG SER 18 HG SER 18 11.072 -2.326 -1.749 139 H GLY 19 H GLY 19 7.361 -4.094 -3.535 140 1HA GLY 19 2HA GLY 19 7.608 -6.325 -4.180 141 2HA GLY 19 1HA GLY 19 9.254 -6.319 -3.578 142 H LYS 20 H LYS 20 7.677 -4.782 -1.221 143 HA LYS 20 HA LYS 20 7.348 -7.261 0.148 144 1HB LYS 20 2HB LYS 20 7.247 -4.471 1.286 145 2HB LYS 20 1HB LYS 20 6.814 -5.878 2.233 146 1HG LYS 20 2HG LYS 20 8.980 -5.742 2.863 147 2HG LYS 20 1HG LYS 20 9.229 -6.670 1.393 148 1HD LYS 20 2HD LYS 20 10.829 -4.910 1.440 149 2HD LYS 20 1HD LYS 20 9.630 -4.487 0.212 150 1HE LYS 20 2HE LYS 20 8.534 -2.962 1.738 151 2HE LYS 20 1HE LYS 20 9.575 -3.482 3.059 152 1HZ LYS 20 1HZ LYS 20 10.493 -2.075 0.610 153 2HZ LYS 20 2HZ LYS 20 11.449 -2.490 1.951 154 3HZ LYS 20 3HZ LYS 20 10.223 -1.357 2.110 155 H THR 21 H THR 21 5.551 -8.012 1.031 156 HA THR 21 HA THR 21 3.133 -7.053 -0.252 157 HB THR 21 HB THR 21 2.259 -9.253 0.216 158 HG1 THR 21 1HG THR 21 4.303 -9.302 2.032 159 1HG2 THR 21 1HG2 THR 21 3.638 -8.930 -1.772 160 2HG2 THR 21 2HG2 THR 21 3.764 -10.586 -1.172 161 3HG2 THR 21 3HG2 THR 21 5.068 -9.428 -0.875 162 H LYS 22 H LYS 22 1.431 -6.341 0.948 163 HA LYS 22 HA LYS 22 1.658 -6.538 3.897 164 1HB LYS 22 2HB LYS 22 2.121 -4.253 2.730 165 2HB LYS 22 1HB LYS 22 0.410 -4.248 2.364 166 1HG LYS 22 2HG LYS 22 0.843 -2.878 4.298 167 2HG LYS 22 1HG LYS 22 -0.063 -4.314 4.792 168 1HD LYS 22 2HD LYS 22 1.938 -5.352 5.643 169 2HD LYS 22 1HD LYS 22 2.936 -4.069 4.965 170 1HE LYS 22 2HE LYS 22 0.864 -3.686 7.125 171 2HE LYS 22 1HE LYS 22 2.585 -3.887 7.412 172 1HZ LYS 22 1HZ LYS 22 3.000 -1.867 6.136 173 2HZ LYS 22 2HZ LYS 22 2.017 -1.555 7.435 174 3HZ LYS 22 3HZ LYS 22 1.356 -1.606 5.888 175 H GLU 23 H GLU 23 -0.376 -7.195 4.863 176 HA GLU 23 HA GLU 23 -2.628 -7.418 2.978 177 1HB GLU 23 2HB GLU 23 -1.280 -9.614 3.144 178 2HB GLU 23 1HB GLU 23 -1.884 -9.699 4.791 179 1HG GLU 23 2HG GLU 23 -4.219 -9.627 3.804 180 2HG GLU 23 1HG GLU 23 -3.443 -9.718 2.262 181 H PHE 24 H PHE 24 -4.513 -6.867 3.860 182 HA PHE 24 HA PHE 24 -4.977 -7.151 6.690 183 1HB PHE 24 2HB PHE 24 -5.184 -4.512 5.244 184 2HB PHE 24 1HB PHE 24 -5.986 -4.833 6.762 185 HD1 PHE 24 1HD PHE 24 -2.987 -3.773 5.158 186 HD2 PHE 24 2HD PHE 24 -4.528 -5.386 8.772 187 HE1 PHE 24 1HE PHE 24 -0.976 -3.016 6.344 188 HE2 PHE 24 2HE PHE 24 -2.511 -4.637 9.975 189 HZ PHE 24 HZ PHE 24 -0.735 -3.450 8.761 190 H LEU 25 H LEU 25 -7.279 -6.909 7.181 191 HA LEU 25 HA LEU 25 -8.817 -7.903 4.964 192 1HB LEU 25 2HB LEU 25 -8.994 -8.832 7.285 193 2HB LEU 25 1HB LEU 25 -9.608 -7.278 7.804 194 HG LEU 25 HG LEU 25 -11.602 -7.574 6.473 195 1HD1 LEU 25 1HD1 LEU 25 -10.399 -10.238 5.726 196 2HD1 LEU 25 2HD1 LEU 25 -10.616 -8.854 4.651 197 3HD1 LEU 25 3HD1 LEU 25 -12.020 -9.663 5.330 198 1HD2 LEU 25 1HD2 LEU 25 -11.565 -8.441 8.765 199 2HD2 LEU 25 2HD2 LEU 25 -10.960 -9.985 8.165 200 3HD2 LEU 25 3HD2 LEU 25 -12.569 -9.434 7.711 201 H PHE 26 H PHE 26 -10.042 -6.621 3.702 202 HA PHE 26 HA PHE 26 -10.805 -3.943 4.626 203 1HB PHE 26 2HB PHE 26 -9.657 -4.685 1.910 204 2HB PHE 26 1HB PHE 26 -10.461 -3.166 2.236 205 HD1 PHE 26 1HD PHE 26 -9.397 -1.497 3.707 206 HD2 PHE 26 2HD PHE 26 -7.343 -5.071 2.592 207 HE1 PHE 26 1HE PHE 26 -7.251 -0.493 4.369 208 HE2 PHE 26 2HE PHE 26 -5.239 -4.076 3.245 209 HZ PHE 26 HZ PHE 26 -5.149 -1.800 4.120 210 H SER 27 H SER 27 -12.536 -3.069 2.903 211 HA SER 27 HA SER 27 -14.429 -5.285 2.746 212 1HB SER 27 2HB SER 27 -16.198 -3.632 2.657 213 2HB SER 27 1HB SER 27 -15.111 -3.186 3.955 214 HG SER 27 HG SER 27 -14.094 -1.729 2.381 215 HA PRO 28 HA PRO 28 -14.171 -5.497 -1.635 216 1HB PRO 28 2HB PRO 28 -16.785 -5.875 -2.352 217 2HB PRO 28 1HB PRO 28 -15.778 -7.118 -1.580 218 1HG PRO 28 2HG PRO 28 -17.682 -5.205 -0.286 219 2HG PRO 28 1HG PRO 28 -17.614 -6.965 -0.114 220 1HD PRO 28 2HD PRO 28 -16.482 -5.459 1.731 221 2HD PRO 28 1HD PRO 28 -15.606 -6.876 1.103 222 H ASN 29 H ASN 29 -15.915 -3.047 -0.051 223 HA ASN 29 HA ASN 29 -16.619 -1.665 -2.503 224 1HB ASN 29 2HB ASN 29 -17.230 -0.946 0.365 225 2HB ASN 29 1HB ASN 29 -17.817 -0.086 -1.057 226 1HD2 ASN 29 1HD2 ASN 29 -19.359 -1.090 -2.376 227 2HD2 ASN 29 2HD2 ASN 29 -20.308 -2.416 -1.820 228 H ASP 30 H ASP 30 -13.978 -1.816 -0.454 229 HA ASP 30 HA ASP 30 -13.323 0.979 -0.656 230 1HB ASP 30 2HB ASP 30 -11.710 -1.364 0.374 231 2HB ASP 30 1HB ASP 30 -11.020 0.247 0.257 232 H SER 31 H SER 31 -11.465 1.878 -1.781 233 HA SER 31 HA SER 31 -11.202 0.613 -4.380 234 1HB SER 31 2HB SER 31 -10.383 3.352 -3.411 235 2HB SER 31 1HB SER 31 -10.327 2.791 -5.079 236 HG SER 31 HG SER 31 -12.733 2.338 -3.929 237 H ALA 32 H ALA 32 -9.496 -0.465 -4.932 238 HA ALA 32 HA ALA 32 -7.440 -1.371 -3.340 239 1HB ALA 32 1HB ALA 32 -7.416 -0.944 -6.281 240 2HB ALA 32 2HB ALA 32 -8.195 -2.305 -5.492 241 3HB ALA 32 3HB ALA 32 -6.427 -2.125 -5.422 242 H SER 33 H SER 33 -7.249 1.352 -5.654 243 HA SER 33 HA SER 33 -4.504 1.730 -5.266 244 1HB SER 33 2HB SER 33 -5.062 3.938 -6.505 245 2HB SER 33 1HB SER 33 -5.328 2.405 -7.346 246 HG SER 33 HG SER 33 -7.092 3.651 -7.623 247 H ASP 34 H ASP 34 -7.304 3.143 -3.687 248 HA ASP 34 HA ASP 34 -5.871 5.169 -2.209 249 1HB ASP 34 2HB ASP 34 -8.497 4.930 -2.572 250 2HB ASP 34 1HB ASP 34 -8.369 3.760 -1.294 251 H ILE 35 H ILE 35 -6.973 1.906 -1.617 252 HA ILE 35 HA ILE 35 -6.117 1.511 0.997 253 HB ILE 35 HB ILE 35 -6.217 -0.490 -1.265 254 1HG1 ILE 35 2HG1 ILE 35 -8.201 0.117 0.930 255 2HG1 ILE 35 1HG1 ILE 35 -8.379 0.542 -0.772 256 1HG2 ILE 35 1HG2 ILE 35 -6.040 -0.981 1.692 257 2HG2 ILE 35 2HG2 ILE 35 -4.776 -1.278 0.508 258 3HG2 ILE 35 3HG2 ILE 35 -6.273 -2.215 0.455 259 1HD1 ILE 35 1HD1 ILE 35 -9.682 -1.440 -0.220 260 2HD1 ILE 35 2HD1 ILE 35 -8.203 -2.229 0.354 261 3HD1 ILE 35 3HD1 ILE 35 -8.373 -1.829 -1.347 262 H ALA 36 H ALA 36 -4.333 1.079 -2.034 263 HA ALA 36 HA ALA 36 -1.958 0.024 -1.214 264 1HB ALA 36 1HB ALA 36 -0.950 1.107 -3.130 265 2HB ALA 36 2HB ALA 36 -2.288 2.248 -3.208 266 3HB ALA 36 3HB ALA 36 -2.572 0.548 -3.551 267 H LYS 37 H LYS 37 -3.040 3.398 -0.861 268 HA LYS 37 HA LYS 37 -0.499 4.230 0.010 269 1HB LYS 37 2HB LYS 37 -3.182 5.464 -0.244 270 2HB LYS 37 1HB LYS 37 -1.923 6.422 0.531 271 1HG LYS 37 2HG LYS 37 -0.597 6.021 -1.593 272 2HG LYS 37 1HG LYS 37 -2.051 5.288 -2.260 273 1HD LYS 37 2HD LYS 37 -3.247 7.413 -1.954 274 2HD LYS 37 1HD LYS 37 -1.782 8.135 -1.276 275 1HE LYS 37 2HE LYS 37 -0.596 7.689 -3.373 276 2HE LYS 37 1HE LYS 37 -2.058 6.982 -4.050 277 1HZ LYS 37 1HZ LYS 37 -1.696 9.852 -3.265 278 2HZ LYS 37 2HZ LYS 37 -3.132 9.202 -3.726 279 3HZ LYS 37 3HZ LYS 37 -1.871 9.251 -4.835 280 H HIS 38 H HIS 38 -3.408 3.117 1.516 281 HA HIS 38 HA HIS 38 -2.622 3.812 4.185 282 1HB HIS 38 2HB HIS 38 -4.994 3.480 3.803 283 2HB HIS 38 1HB HIS 38 -4.718 1.838 3.237 284 HD1 HIS 38 1HD HIS 38 -3.904 3.721 6.452 285 HD2 HIS 38 2HD HIS 38 -5.295 0.038 5.172 286 HE1 HIS 38 1HE HIS 38 -4.381 2.424 8.545 287 HE2 HIS 38 2HE HIS 38 -4.596 0.126 7.639 288 H VAL 39 H VAL 39 -2.417 0.810 2.304 289 HA VAL 39 HA VAL 39 -1.290 -0.658 4.423 290 HB VAL 39 HB VAL 39 -0.611 -2.304 2.707 291 1HG1 VAL 39 1HG1 VAL 39 -2.840 -2.342 3.732 292 2HG1 VAL 39 2HG1 VAL 39 -2.916 -2.852 2.054 293 3HG1 VAL 39 3HG1 VAL 39 -3.440 -1.245 2.496 294 1HG2 VAL 39 1HG2 VAL 39 -0.144 -0.707 0.898 295 2HG2 VAL 39 2HG2 VAL 39 -1.879 -0.331 0.866 296 3HG2 VAL 39 3HG2 VAL 39 -1.324 -1.937 0.412 297 H TYR 40 H TYR 40 0.026 1.439 2.032 298 HA TYR 40 HA TYR 40 2.748 0.829 2.534 299 1HB TYR 40 2HB TYR 40 2.139 1.944 0.483 300 2HB TYR 40 1HB TYR 40 1.432 3.285 1.373 301 HD1 TYR 40 1HD TYR 40 2.729 5.165 1.889 302 HD2 TYR 40 2HD TYR 40 4.656 1.561 0.724 303 HE1 TYR 40 1HE TYR 40 4.881 6.345 1.817 304 HE2 TYR 40 2HE TYR 40 6.814 2.733 0.653 305 HH TYR 40 HH TYR 40 7.200 5.858 1.963 306 H ASP 41 H ASP 41 0.653 3.569 3.771 307 HA ASP 41 HA ASP 41 1.716 3.504 6.359 308 1HB ASP 41 2HB ASP 41 3.817 4.263 5.301 309 2HB ASP 41 1HB ASP 41 2.977 5.650 4.627 310 H ASN 42 H ASN 42 0.576 4.719 7.715 311 HA ASN 42 HA ASN 42 -1.154 6.009 8.585 312 1HB ASN 42 2HB ASN 42 0.374 7.803 7.376 313 2HB ASN 42 1HB ASN 42 -0.878 7.826 6.160 314 1HD2 ASN 42 1HD2 ASN 42 -2.781 7.473 8.773 315 2HD2 ASN 42 2HD2 ASN 42 -2.952 9.124 9.217 316 H TRP 43 H TRP 43 -3.414 7.241 7.522 317 HA TRP 43 HA TRP 43 -4.339 5.400 5.497 318 1HB TRP 43 2HB TRP 43 -6.651 5.748 6.332 319 2HB TRP 43 1HB TRP 43 -5.623 5.040 7.560 320 HD1 TRP 43 HD TRP 43 -5.295 6.427 9.806 321 HE1 TRP 43 1HE TRP 43 -6.462 8.523 10.764 322 HE3 TRP 43 3HE TRP 43 -7.676 8.050 5.578 323 HZ2 TRP 43 2HZ TRP 43 -8.161 10.574 9.839 324 HZ3 TRP 43 3HZ TRP 43 -9.042 10.088 5.703 325 HH2 TRP 43 HH TRP 43 -9.274 11.322 7.784 326 HA PRO 44 HA PRO 44 -4.598 9.269 3.435 327 1HB PRO 44 2HB PRO 44 -5.020 8.452 0.979 328 2HB PRO 44 1HB PRO 44 -3.497 8.055 1.786 329 1HG PRO 44 2HG PRO 44 -5.870 6.311 1.283 330 2HG PRO 44 1HG PRO 44 -4.154 5.913 1.244 331 1HD PRO 44 2HD PRO 44 -5.871 5.440 3.377 332 2HD PRO 44 1HD PRO 44 -4.079 5.411 3.360 333 H MET 45 H MET 45 -6.133 10.633 2.766 334 HA MET 45 HA MET 45 -8.898 9.735 2.645 335 1HB MET 45 2HB MET 45 -8.457 11.868 3.803 336 2HB MET 45 1HB MET 45 -7.663 12.491 2.363 337 1HG MET 45 2HG MET 45 -9.778 12.350 1.139 338 2HG MET 45 1HG MET 45 -10.573 11.756 2.588 339 1HE MET 45 1HE MET 45 -12.001 15.382 2.082 340 2HE MET 45 2HE MET 45 -12.395 13.675 2.231 341 3HE MET 45 3HE MET 45 -11.521 14.254 0.817 342 H ASP 46 H ASP 46 -6.278 11.003 0.814 343 HA ASP 46 HA ASP 46 -5.861 11.498 -1.294 344 1HB ASP 46 2HB ASP 46 -5.418 9.044 -1.139 345 2HB ASP 46 1HB ASP 46 -7.024 8.749 -1.798 346 H TRP 47 H TRP 47 -7.359 13.084 -1.156 347 HA TRP 47 HA TRP 47 -9.772 12.696 -2.747 348 1HB TRP 47 2HB TRP 47 -10.015 13.617 -0.491 349 2HB TRP 47 1HB TRP 47 -8.932 14.934 -0.904 350 HD1 TRP 47 HD TRP 47 -12.217 13.538 -2.446 351 HE1 TRP 47 1HE TRP 47 -13.741 15.553 -2.951 352 HE3 TRP 47 3HE TRP 47 -9.176 17.294 -0.810 353 HZ2 TRP 47 2HZ TRP 47 -13.671 18.332 -2.677 354 HZ3 TRP 47 3HZ TRP 47 -9.986 19.604 -0.955 355 HH2 TRP 47 HH TRP 47 -12.190 20.112 -1.867 356 H GLU 48 H GLU 48 -6.901 14.689 -2.400 357 HA GLU 48 HA GLU 48 -7.251 15.487 -5.190 358 1HB GLU 48 2HB GLU 48 -5.674 16.888 -3.012 359 2HB GLU 48 1HB GLU 48 -5.666 17.357 -4.697 360 1HG GLU 48 2HG GLU 48 -8.108 17.785 -4.529 361 2HG GLU 48 1HG GLU 48 -8.002 17.455 -2.800 362 H GLU 49 H GLU 49 -4.790 16.110 -5.953 363 HA GLU 49 HA GLU 49 -3.046 13.892 -5.245 364 1HB GLU 49 2HB GLU 49 -4.546 13.250 -7.181 365 2HB GLU 49 1HB GLU 49 -3.867 14.588 -8.079 366 1HG GLU 49 2HG GLU 49 -1.688 13.513 -8.089 367 2HG GLU 49 1HG GLU 49 -2.319 12.181 -7.097 368 H GLU 50 H GLU 50 -1.000 14.377 -6.932 369 HA GLU 50 HA GLU 50 0.356 16.537 -5.987 370 1HB GLU 50 2HB GLU 50 0.726 15.079 -8.600 371 2HB GLU 50 1HB GLU 50 1.891 16.195 -7.896 372 1HG GLU 50 2HG GLU 50 0.952 13.628 -6.611 373 2HG GLU 50 1HG GLU 50 2.490 13.866 -7.434 374 H GLN 51 H GLN 51 1.313 18.296 -7.267 375 HA GLN 51 HA GLN 51 -0.471 20.325 -7.508 376 1HB GLN 51 2HB GLN 51 2.209 20.169 -8.859 377 2HB GLN 51 1HB GLN 51 1.311 21.644 -8.510 378 1HG GLN 51 2HG GLN 51 1.438 21.141 -6.117 379 2HG GLN 51 1HG GLN 51 2.363 19.692 -6.484 380 1HE2 GLN 51 1HE2 GLN 51 3.065 21.976 -4.902 381 2HE2 GLN 51 2HE2 GLN 51 4.512 22.632 -5.582 382 H VAL 52 H VAL 52 1.072 18.894 -10.436 383 HA VAL 52 HA VAL 52 -1.176 20.052 -11.919 384 HB VAL 52 HB VAL 52 1.150 20.586 -12.698 385 1HG1 VAL 52 1HG1 VAL 52 1.317 17.682 -13.401 386 2HG1 VAL 52 2HG1 VAL 52 2.313 18.586 -12.250 387 3HG1 VAL 52 3HG1 VAL 52 2.419 18.933 -13.972 388 1HG2 VAL 52 1HG2 VAL 52 -0.673 20.821 -14.271 389 2HG2 VAL 52 2HG2 VAL 52 -0.553 19.120 -14.713 390 3HG2 VAL 52 3HG2 VAL 52 0.758 20.226 -15.114 391 H SER 53 H SER 53 -0.353 17.345 -10.434 392 HA SER 53 HA SER 53 -1.259 15.307 -10.207 393 1HB SER 53 2HB SER 53 -3.273 16.261 -12.251 394 2HB SER 53 1HB SER 53 -3.444 14.828 -11.235 395 HG SER 53 HG SER 53 -2.835 17.013 -9.760 396 H SER 54 H SER 54 -1.623 13.224 -11.239 397 HA SER 54 HA SER 54 -0.999 12.716 -13.929 398 1HB SER 54 2HB SER 54 1.128 11.961 -11.871 399 2HB SER 54 1HB SER 54 1.084 11.365 -13.524 400 HG SER 54 HG SER 54 0.982 14.104 -13.220 401 HA PRO 55 HA PRO 55 -3.780 9.854 -11.573 402 1HB PRO 55 2HB PRO 55 -4.624 9.331 -14.318 403 2HB PRO 55 1HB PRO 55 -5.645 9.661 -12.910 404 1HG PRO 55 2HG PRO 55 -5.344 11.561 -14.745 405 2HG PRO 55 1HG PRO 55 -5.254 11.981 -13.025 406 1HD PRO 55 2HD PRO 55 -3.025 11.617 -14.996 407 2HD PRO 55 1HD PRO 55 -3.229 12.862 -13.742 408 H ASN 56 H ASN 56 -1.616 9.321 -14.152 409 HA ASN 56 HA ASN 56 -1.743 6.523 -14.536 410 1HB ASN 56 2HB ASN 56 -0.476 8.093 -15.995 411 2HB ASN 56 1HB ASN 56 0.683 8.344 -14.701 412 1HD2 ASN 56 1HD2 ASN 56 2.445 7.581 -15.894 413 2HD2 ASN 56 2HD2 ASN 56 2.609 5.925 -16.321 414 H ILE 57 H ILE 57 -0.617 8.407 -11.872 415 HA ILE 57 HA ILE 57 1.179 6.401 -10.900 416 HB ILE 57 HB ILE 57 1.631 7.854 -9.036 417 1HG1 ILE 57 2HG1 ILE 57 0.349 10.192 -9.032 418 2HG1 ILE 57 1HG1 ILE 57 -0.913 9.250 -9.814 419 1HG2 ILE 57 1HG2 ILE 57 2.675 8.475 -11.133 420 2HG2 ILE 57 2HG2 ILE 57 2.343 9.903 -10.157 421 3HG2 ILE 57 3HG2 ILE 57 1.300 9.506 -11.522 422 1HD1 ILE 57 1HD1 ILE 57 -1.294 9.410 -7.393 423 2HD1 ILE 57 2HD1 ILE 57 0.282 8.663 -7.100 424 3HD1 ILE 57 3HD1 ILE 57 -0.976 7.737 -7.871 425 H LEU 58 H LEU 58 -2.159 6.923 -10.769 426 HA LEU 58 HA LEU 58 -2.428 5.073 -8.511 427 1HB LEU 58 2HB LEU 58 -4.443 6.998 -9.679 428 2HB LEU 58 1HB LEU 58 -4.835 5.786 -8.487 429 HG LEU 58 HG LEU 58 -2.954 8.108 -8.057 430 1HD1 LEU 58 1HD1 LEU 58 -5.736 7.614 -7.028 431 2HD1 LEU 58 2HD1 LEU 58 -5.294 8.776 -8.277 432 3HD1 LEU 58 3HD1 LEU 58 -4.703 8.987 -6.627 433 1HD2 LEU 58 1HD2 LEU 58 -2.338 6.161 -6.709 434 2HD2 LEU 58 2HD2 LEU 58 -4.008 6.024 -6.149 435 3HD2 LEU 58 3HD2 LEU 58 -3.046 7.439 -5.721 436 H ARG 59 H ARG 59 -2.103 3.191 -9.633 437 HA ARG 59 HA ARG 59 -4.434 2.376 -11.012 438 1HB ARG 59 2HB ARG 59 -3.160 1.303 -12.879 439 2HB ARG 59 1HB ARG 59 -3.273 3.054 -12.949 440 1HG ARG 59 2HG ARG 59 -0.977 3.202 -12.101 441 2HG ARG 59 1HG ARG 59 -0.896 1.436 -12.075 442 1HD ARG 59 2HD ARG 59 -1.323 1.385 -14.476 443 2HD ARG 59 1HD ARG 59 -1.399 3.145 -14.500 444 HE ARG 59 HE ARG 59 1.002 2.710 -13.457 445 1HH1 ARG 59 1HH1 ARG 59 -0.569 1.345 -16.334 446 2HH1 ARG 59 2HH1 ARG 59 0.879 1.135 -17.198 447 1HH2 ARG 59 1HH2 ARG 59 3.021 2.396 -14.683 448 2HH2 ARG 59 2HH2 ARG 59 2.918 1.763 -16.268 449 H LEU 60 H LEU 60 -4.824 0.217 -11.022 450 HA LEU 60 HA LEU 60 -3.219 -1.139 -9.003 451 1HB LEU 60 2HB LEU 60 -5.303 -2.244 -8.296 452 2HB LEU 60 1HB LEU 60 -5.321 -0.511 -8.080 453 HG LEU 60 HG LEU 60 -6.589 -0.487 -10.335 454 1HD1 LEU 60 1HD1 LEU 60 -8.013 -2.413 -10.756 455 2HD1 LEU 60 2HD1 LEU 60 -7.117 -3.329 -9.546 456 3HD1 LEU 60 3HD1 LEU 60 -6.302 -2.754 -11.000 457 1HD2 LEU 60 1HD2 LEU 60 -8.694 -0.607 -9.214 458 2HD2 LEU 60 2HD2 LEU 60 -7.508 0.134 -8.131 459 3HD2 LEU 60 3HD2 LEU 60 -7.983 -1.566 -7.936 460 H ILE 61 H ILE 61 -2.730 -3.236 -9.244 461 HA ILE 61 HA ILE 61 -3.270 -4.424 -11.854 462 HB ILE 61 HB ILE 61 -1.113 -4.881 -9.815 463 1HG1 ILE 61 2HG1 ILE 61 -0.914 -3.793 -12.603 464 2HG1 ILE 61 1HG1 ILE 61 -0.892 -2.824 -11.137 465 1HG2 ILE 61 1HG2 ILE 61 -1.516 -6.219 -12.504 466 2HG2 ILE 61 2HG2 ILE 61 -1.676 -6.991 -10.927 467 3HG2 ILE 61 3HG2 ILE 61 -0.097 -6.426 -11.478 468 1HD1 ILE 61 1HD1 ILE 61 1.349 -3.151 -12.015 469 2HD1 ILE 61 2HD1 ILE 61 1.141 -4.902 -11.950 470 3HD1 ILE 61 3HD1 ILE 61 1.187 -3.960 -10.457 471 H TYR 62 H TYR 62 -4.583 -6.078 -11.818 472 HA TYR 62 HA TYR 62 -5.196 -7.289 -9.238 473 1HB TYR 62 2HB TYR 62 -7.128 -6.394 -10.463 474 2HB TYR 62 1HB TYR 62 -6.697 -7.348 -11.867 475 HD1 TYR 62 1HD TYR 62 -8.457 -8.806 -12.219 476 HD2 TYR 62 2HD TYR 62 -6.984 -8.330 -8.258 477 HE1 TYR 62 1HE TYR 62 -9.967 -10.574 -11.456 478 HE2 TYR 62 2HE TYR 62 -8.485 -10.121 -7.490 479 HH TYR 62 HH TYR 62 -10.656 -11.132 -8.263 480 H GLN 63 H GLN 63 -3.551 -8.600 -8.958 481 HA GLN 63 HA GLN 63 -2.229 -10.139 -8.986 482 1HB GLN 63 2HB GLN 63 -4.293 -11.479 -9.282 483 2HB GLN 63 1HB GLN 63 -3.945 -11.517 -11.014 484 1HG GLN 63 2HG GLN 63 -1.761 -12.227 -10.432 485 2HG GLN 63 1HG GLN 63 -2.259 -12.504 -8.800 486 1HE2 GLN 63 1HE2 GLN 63 -1.467 -14.610 -10.707 487 2HE2 GLN 63 2HE2 GLN 63 -2.776 -15.709 -10.802 488 H GLY 64 H GLY 64 -3.135 -10.027 -12.431 489 1HA GLY 64 2HA GLY 64 -0.243 -9.866 -13.000 490 2HA GLY 64 1HA GLY 64 -1.417 -10.593 -14.080 491 H ARG 65 H ARG 65 -3.349 -8.545 -14.069 492 HA ARG 65 HA ARG 65 -1.804 -6.474 -15.425 493 1HB ARG 65 2HB ARG 65 -3.862 -6.281 -16.997 494 2HB ARG 65 1HB ARG 65 -2.635 -7.499 -17.271 495 1HG ARG 65 2HG ARG 65 -4.907 -8.344 -17.626 496 2HG ARG 65 1HG ARG 65 -4.075 -9.196 -16.335 497 1HD ARG 65 2HD ARG 65 -5.354 -7.982 -14.675 498 2HD ARG 65 1HD ARG 65 -6.104 -6.993 -15.932 499 HE ARG 65 HE ARG 65 -7.155 -8.977 -16.771 500 1HH1 ARG 65 1HH1 ARG 65 -5.891 -9.317 -13.412 501 2HH1 ARG 65 2HH1 ARG 65 -6.979 -10.576 -13.075 502 1HH2 ARG 65 1HH2 ARG 65 -8.588 -10.726 -16.157 503 2HH2 ARG 65 2HH2 ARG 65 -8.498 -11.363 -14.575 504 H PHE 66 H PHE 66 -2.809 -4.420 -15.894 505 HA PHE 66 HA PHE 66 -3.886 -3.283 -13.457 506 1HB PHE 66 2HB PHE 66 -3.347 -1.966 -16.138 507 2HB PHE 66 1HB PHE 66 -3.645 -1.140 -14.624 508 HD1 PHE 66 1HD PHE 66 -1.210 -3.157 -16.525 509 HD2 PHE 66 2HD PHE 66 -1.815 -0.738 -13.057 510 HE1 PHE 66 1HE PHE 66 1.208 -3.032 -16.175 511 HE2 PHE 66 2HE PHE 66 0.593 -0.622 -12.728 512 HZ PHE 66 HZ PHE 66 2.117 -1.764 -14.280 513 H LEU 67 H LEU 67 -6.034 -3.388 -13.130 514 HA LEU 67 HA LEU 67 -7.847 -3.736 -15.391 515 1HB LEU 67 2HB LEU 67 -8.466 -3.495 -12.476 516 2HB LEU 67 1HB LEU 67 -9.671 -3.708 -13.718 517 HG LEU 67 HG LEU 67 -7.508 -5.674 -13.000 518 1HD1 LEU 67 1HD1 LEU 67 -9.403 -6.975 -12.112 519 2HD1 LEU 67 2HD1 LEU 67 -10.487 -5.647 -12.522 520 3HD1 LEU 67 3HD1 LEU 67 -9.229 -5.414 -11.327 521 1HD2 LEU 67 1HD2 LEU 67 -8.709 -7.191 -14.500 522 2HD2 LEU 67 2HD2 LEU 67 -8.096 -5.794 -15.379 523 3HD2 LEU 67 3HD2 LEU 67 -9.807 -5.890 -14.950 524 H HIS 68 H HIS 68 -7.405 -1.205 -12.939 525 HA HIS 68 HA HIS 68 -8.375 0.851 -14.636 526 1HB HIS 68 2HB HIS 68 -10.507 -0.417 -14.044 527 2HB HIS 68 1HB HIS 68 -10.168 -0.069 -12.361 528 HD1 HIS 68 1HD HIS 68 -11.858 1.668 -11.608 529 HD2 HIS 68 2HD HIS 68 -10.532 2.297 -15.484 530 HE1 HIS 68 1HE HIS 68 -12.959 3.756 -12.350 531 HE2 HIS 68 2HE HIS 68 -12.143 4.167 -14.665 532 H GLY 69 H GLY 69 -8.457 2.955 -13.189 533 1HA GLY 69 2HA GLY 69 -6.253 2.766 -11.376 534 2HA GLY 69 1HA GLY 69 -7.034 4.225 -11.950 535 H ASN 70 H ASN 70 -9.384 2.114 -10.698 536 HA ASN 70 HA ASN 70 -9.307 3.024 -7.977 537 1HB ASN 70 2HB ASN 70 -9.716 5.164 -9.315 538 2HB ASN 70 1HB ASN 70 -11.263 4.477 -9.777 539 1HD2 ASN 70 1HD2 ASN 70 -12.469 6.064 -8.750 540 2HD2 ASN 70 2HD2 ASN 70 -12.548 6.198 -7.028 541 H VAL 71 H VAL 71 -9.967 0.630 -9.629 542 HA VAL 71 HA VAL 71 -12.831 0.439 -9.291 543 HB VAL 71 HB VAL 71 -11.887 -0.462 -11.393 544 1HG1 VAL 71 1HG1 VAL 71 -9.751 -1.207 -10.715 545 2HG1 VAL 71 2HG1 VAL 71 -10.648 -2.538 -11.448 546 3HG1 VAL 71 3HG1 VAL 71 -10.474 -2.455 -9.688 547 1HG2 VAL 71 1HG2 VAL 71 -12.956 -2.625 -11.448 548 2HG2 VAL 71 2HG2 VAL 71 -13.952 -1.425 -10.616 549 3HG2 VAL 71 3HG2 VAL 71 -13.031 -2.629 -9.688 550 H THR 72 H THR 72 -13.857 -0.858 -7.855 551 HA THR 72 HA THR 72 -12.383 -1.306 -5.445 552 HB THR 72 HB THR 72 -14.621 -1.914 -4.508 553 HG1 THR 72 1HG THR 72 -15.665 -1.000 -6.979 554 1HG2 THR 72 1HG2 THR 72 -14.454 0.713 -6.010 555 2HG2 THR 72 2HG2 THR 72 -13.806 0.394 -4.400 556 3HG2 THR 72 3HG2 THR 72 -15.548 0.369 -4.671 557 H LEU 73 H LEU 73 -12.566 -3.275 -4.164 558 HA LEU 73 HA LEU 73 -11.659 -5.525 -5.498 559 1HB LEU 73 2HB LEU 73 -12.765 -5.062 -2.769 560 2HB LEU 73 1HB LEU 73 -12.147 -6.635 -3.233 561 HG LEU 73 HG LEU 73 -10.511 -5.538 -1.945 562 1HD1 LEU 73 1HD1 LEU 73 -8.622 -5.373 -3.438 563 2HD1 LEU 73 2HD1 LEU 73 -9.722 -5.325 -4.804 564 3HD1 LEU 73 3HD1 LEU 73 -9.644 -6.765 -3.784 565 1HD2 LEU 73 1HD2 LEU 73 -11.265 -3.234 -2.107 566 2HD2 LEU 73 2HD2 LEU 73 -10.719 -3.161 -3.783 567 3HD2 LEU 73 3HD2 LEU 73 -9.545 -3.350 -2.484 568 H GLY 74 H GLY 74 -14.903 -4.761 -4.274 569 1HA GLY 74 2HA GLY 74 -16.119 -7.225 -4.789 570 2HA GLY 74 1HA GLY 74 -16.949 -5.675 -4.752 571 H ALA 75 H ALA 75 -15.301 -4.622 -6.939 572 HA ALA 75 HA ALA 75 -16.904 -5.544 -9.120 573 1HB ALA 75 1HB ALA 75 -14.650 -3.545 -9.065 574 2HB ALA 75 2HB ALA 75 -16.362 -3.164 -8.855 575 3HB ALA 75 3HB ALA 75 -15.774 -3.788 -10.398 576 H LEU 76 H LEU 76 -13.905 -6.457 -7.785 577 HA LEU 76 HA LEU 76 -12.662 -7.341 -10.238 578 1HB LEU 76 2HB LEU 76 -11.968 -8.034 -7.401 579 2HB LEU 76 1HB LEU 76 -10.937 -8.177 -8.805 580 HG LEU 76 HG LEU 76 -11.836 -5.633 -7.462 581 1HD1 LEU 76 1HD1 LEU 76 -10.180 -6.861 -6.293 582 2HD1 LEU 76 2HD1 LEU 76 -9.511 -5.378 -6.989 583 3HD1 LEU 76 3HD1 LEU 76 -9.179 -6.945 -7.739 584 1HD2 LEU 76 1HD2 LEU 76 -10.377 -4.503 -9.043 585 2HD2 LEU 76 2HD2 LEU 76 -11.725 -5.311 -9.861 586 3HD2 LEU 76 3HD2 LEU 76 -10.115 -6.052 -9.846 587 H LYS 77 H LYS 77 -15.263 -8.386 -8.702 588 HA LYS 77 HA LYS 77 -16.458 -10.267 -8.460 589 1HB LYS 77 2HB LYS 77 -14.483 -11.592 -10.364 590 2HB LYS 77 1HB LYS 77 -16.039 -12.240 -9.901 591 1HG LYS 77 2HG LYS 77 -16.295 -11.394 -12.094 592 2HG LYS 77 1HG LYS 77 -17.067 -10.214 -11.037 593 1HD LYS 77 2HD LYS 77 -15.045 -8.819 -11.152 594 2HD LYS 77 1HD LYS 77 -14.285 -9.982 -12.220 595 1HE LYS 77 2HE LYS 77 -16.108 -9.630 -13.857 596 2HE LYS 77 1HE LYS 77 -16.818 -8.442 -12.773 597 1HZ LYS 77 1HZ LYS 77 -15.487 -7.378 -14.497 598 2HZ LYS 77 2HZ LYS 77 -14.138 -8.252 -14.012 599 3HZ LYS 77 3HZ LYS 77 -14.805 -7.112 -12.976 600 H LEU 78 H LEU 78 -15.785 -10.290 -6.268 601 HA LEU 78 HA LEU 78 -13.897 -12.456 -5.683 602 1HB LEU 78 2HB LEU 78 -14.097 -9.840 -4.233 603 2HB LEU 78 1HB LEU 78 -13.057 -11.166 -3.785 604 HG LEU 78 HG LEU 78 -12.830 -9.491 -6.272 605 1HD1 LEU 78 1HD1 LEU 78 -10.795 -8.659 -5.224 606 2HD1 LEU 78 2HD1 LEU 78 -11.111 -9.658 -3.804 607 3HD1 LEU 78 3HD1 LEU 78 -12.211 -8.341 -4.222 608 1HD2 LEU 78 1HD2 LEU 78 -11.096 -11.724 -5.244 609 2HD2 LEU 78 2HD2 LEU 78 -10.699 -10.670 -6.591 610 3HD2 LEU 78 3HD2 LEU 78 -12.084 -11.766 -6.708 611 HA PRO 79 HA PRO 79 -17.284 -13.432 -2.883 612 1HB PRO 79 2HB PRO 79 -16.348 -15.906 -2.220 613 2HB PRO 79 1HB PRO 79 -17.276 -15.608 -3.692 614 1HG PRO 79 2HG PRO 79 -14.336 -15.938 -3.344 615 2HG PRO 79 1HG PRO 79 -15.383 -16.492 -4.662 616 1HD PRO 79 2HD PRO 79 -13.785 -14.270 -4.780 617 2HD PRO 79 1HD PRO 79 -15.234 -14.482 -5.765 618 H PHE 80 H PHE 80 -17.242 -13.811 -0.608 619 HA PHE 80 HA PHE 80 -15.122 -12.325 0.687 620 1HB PHE 80 2HB PHE 80 -17.438 -13.747 2.016 621 2HB PHE 80 1HB PHE 80 -16.461 -12.439 2.664 622 HD1 PHE 80 1HD PHE 80 -16.521 -10.265 1.110 623 HD2 PHE 80 2HD PHE 80 -19.496 -13.267 1.304 624 HE1 PHE 80 1HE PHE 80 -18.192 -8.659 0.280 625 HE2 PHE 80 2HE PHE 80 -21.179 -11.672 0.460 626 HZ PHE 80 HZ PHE 80 -20.520 -9.361 -0.050 627 H GLY 81 H GLY 81 -13.769 -13.141 2.303 628 1HA GLY 81 2HA GLY 81 -12.956 -14.713 3.815 629 2HA GLY 81 1HA GLY 81 -13.944 -15.948 3.102 630 H LYS 82 H LYS 82 -12.550 -14.704 0.461 631 HA LYS 82 HA LYS 82 -10.306 -16.503 0.866 632 1HB LYS 82 2HB LYS 82 -10.233 -16.970 -1.522 633 2HB LYS 82 1HB LYS 82 -11.830 -17.289 -0.900 634 1HG LYS 82 2HG LYS 82 -12.117 -16.341 -3.045 635 2HG LYS 82 1HG LYS 82 -12.517 -15.056 -1.921 636 1HD LYS 82 2HD LYS 82 -10.422 -13.966 -2.269 637 2HD LYS 82 1HD LYS 82 -9.755 -15.366 -3.101 638 1HE LYS 82 2HE LYS 82 -12.024 -13.660 -4.119 639 2HE LYS 82 1HE LYS 82 -10.335 -13.505 -4.589 640 1HZ LYS 82 1HZ LYS 82 -11.651 -14.856 -6.184 641 2HZ LYS 82 2HZ LYS 82 -11.874 -16.040 -5.009 642 3HZ LYS 82 3HZ LYS 82 -10.345 -15.660 -5.543 643 H THR 83 H THR 83 -8.261 -16.026 -0.137 644 HA THR 83 HA THR 83 -7.603 -13.280 0.415 645 HB THR 83 HB THR 83 -5.816 -15.607 -0.327 646 HG1 THR 83 1HG THR 83 -5.824 -14.702 2.272 647 1HG2 THR 83 1HG2 THR 83 -5.197 -12.945 0.993 648 2HG2 THR 83 2HG2 THR 83 -4.794 -13.379 -0.667 649 3HG2 THR 83 3HG2 THR 83 -4.038 -14.238 0.672 650 H THR 84 H THR 84 -7.632 -11.829 -1.079 651 HA THR 84 HA THR 84 -7.134 -12.575 -3.852 652 HB THR 84 HB THR 84 -8.305 -10.024 -2.699 653 HG1 THR 84 1HG THR 84 -9.669 -11.760 -2.349 654 1HG2 THR 84 1HG2 THR 84 -8.207 -11.102 -5.526 655 2HG2 THR 84 2HG2 THR 84 -7.234 -9.765 -4.914 656 3HG2 THR 84 3HG2 THR 84 -8.985 -9.601 -5.023 657 H VAL 85 H VAL 85 -5.191 -11.977 -4.681 658 HA VAL 85 HA VAL 85 -3.643 -10.076 -3.116 659 HB VAL 85 HB VAL 85 -2.652 -12.321 -3.166 660 1HG1 VAL 85 1HG1 VAL 85 -3.491 -13.156 -5.261 661 2HG1 VAL 85 2HG1 VAL 85 -1.735 -13.286 -5.227 662 3HG1 VAL 85 3HG1 VAL 85 -2.510 -12.000 -6.153 663 1HG2 VAL 85 1HG2 VAL 85 -1.071 -10.314 -4.755 664 2HG2 VAL 85 2HG2 VAL 85 -0.403 -11.719 -3.913 665 3HG2 VAL 85 3HG2 VAL 85 -1.169 -10.422 -2.997 666 H MET 86 H MET 86 -3.223 -8.172 -3.967 667 HA MET 86 HA MET 86 -3.398 -7.914 -6.881 668 1HB MET 86 2HB MET 86 -4.252 -5.889 -4.824 669 2HB MET 86 1HB MET 86 -4.224 -5.640 -6.558 670 1HG MET 86 2HG MET 86 -5.883 -7.427 -6.803 671 2HG MET 86 1HG MET 86 -5.951 -7.570 -5.045 672 1HE MET 86 1HE MET 86 -5.655 -4.322 -7.349 673 2HE MET 86 2HE MET 86 -7.381 -3.923 -7.445 674 3HE MET 86 3HE MET 86 -6.791 -5.409 -8.160 675 H HIS 87 H HIS 87 -2.083 -6.388 -7.763 676 HA HIS 87 HA HIS 87 0.241 -5.738 -6.100 677 1HB HIS 87 2HB HIS 87 0.083 -6.166 -9.108 678 2HB HIS 87 1HB HIS 87 1.484 -5.494 -8.277 679 HD1 HIS 87 1HD HIS 87 3.202 -7.144 -7.683 680 HD2 HIS 87 2HD HIS 87 -0.507 -8.989 -8.177 681 HE1 HIS 87 1HE HIS 87 3.612 -9.603 -7.481 682 HE2 HIS 87 2HE HIS 87 1.325 -10.597 -7.424 683 H LEU 88 H LEU 88 0.689 -3.611 -5.797 684 HA LEU 88 HA LEU 88 -1.022 -1.797 -7.321 685 1HB LEU 88 2HB LEU 88 -0.226 -1.652 -4.418 686 2HB LEU 88 1HB LEU 88 -0.956 -0.320 -5.285 687 HG LEU 88 HG LEU 88 -2.616 -1.384 -3.922 688 1HD1 LEU 88 1HD1 LEU 88 -3.069 -2.080 -6.801 689 2HD1 LEU 88 2HD1 LEU 88 -3.395 -0.536 -6.016 690 3HD1 LEU 88 3HD1 LEU 88 -4.305 -1.971 -5.548 691 1HD2 LEU 88 1HD2 LEU 88 -1.633 -3.584 -3.663 692 2HD2 LEU 88 2HD2 LEU 88 -1.958 -3.945 -5.357 693 3HD2 LEU 88 3HD2 LEU 88 -3.297 -3.723 -4.235 694 H VAL 89 H VAL 89 -0.140 0.008 -8.136 695 HA VAL 89 HA VAL 89 2.658 0.425 -7.458 696 HB VAL 89 HB VAL 89 3.063 1.201 -9.781 697 1HG1 VAL 89 1HG1 VAL 89 1.839 -1.542 -9.680 698 2HG1 VAL 89 2HG1 VAL 89 3.524 -1.157 -9.309 699 3HG1 VAL 89 3HG1 VAL 89 2.893 -0.952 -10.952 700 1HG2 VAL 89 1HG2 VAL 89 0.777 1.931 -10.322 701 2HG2 VAL 89 2HG2 VAL 89 0.270 0.235 -10.373 702 3HG2 VAL 89 3HG2 VAL 89 1.439 0.846 -11.543 703 H ALA 90 H ALA 90 3.098 2.423 -6.764 704 HA ALA 90 HA ALA 90 1.309 4.555 -7.517 705 1HB ALA 90 1HB ALA 90 0.587 3.812 -5.273 706 2HB ALA 90 2HB ALA 90 1.168 5.465 -5.334 707 3HB ALA 90 3HB ALA 90 2.206 4.196 -4.652 708 H ARG 91 H ARG 91 2.236 6.490 -7.714 709 HA ARG 91 HA ARG 91 5.106 6.720 -7.167 710 1HB ARG 91 2HB ARG 91 3.645 7.611 -9.657 711 2HB ARG 91 1HB ARG 91 5.331 7.935 -9.303 712 1HG ARG 91 2HG ARG 91 5.830 5.554 -9.471 713 2HG ARG 91 1HG ARG 91 4.123 5.207 -9.757 714 1HD ARG 91 2HD ARG 91 4.182 6.551 -11.779 715 2HD ARG 91 1HD ARG 91 5.878 6.933 -11.492 716 HE ARG 91 HE ARG 91 5.532 4.159 -11.551 717 1HH1 ARG 91 1HH1 ARG 91 5.416 6.946 -13.708 718 2HH1 ARG 91 2HH1 ARG 91 5.956 6.109 -15.087 719 1HH2 ARG 91 1HH2 ARG 91 6.259 2.967 -13.463 720 2HH2 ARG 91 2HH2 ARG 91 6.472 3.779 -14.940 721 H GLU 92 H GLU 92 5.671 8.913 -6.624 722 HA GLU 92 HA GLU 92 5.294 10.935 -5.595 723 1HB GLU 92 2HB GLU 92 3.171 10.991 -7.748 724 2HB GLU 92 1HB GLU 92 3.478 12.343 -6.672 725 1HG GLU 92 2HG GLU 92 4.564 12.649 -8.846 726 2HG GLU 92 1HG GLU 92 5.741 12.573 -7.547 727 H THR 93 H THR 93 4.095 8.620 -4.457 728 HA THR 93 HA THR 93 1.425 9.123 -3.766 729 HB THR 93 HB THR 93 2.254 6.837 -3.981 730 HG1 THR 93 1HG THR 93 1.724 6.611 -1.358 731 1HG2 THR 93 1HG2 THR 93 3.907 7.433 -1.515 732 2HG2 THR 93 2HG2 THR 93 4.543 7.142 -3.135 733 3HG2 THR 93 3HG2 THR 93 3.720 5.845 -2.266 734 H LEU 94 H LEU 94 0.612 9.616 -1.851 735 HA LEU 94 HA LEU 94 2.291 11.273 -0.129 736 1HB LEU 94 2HB LEU 94 -0.733 11.060 -0.258 737 2HB LEU 94 1HB LEU 94 0.143 12.089 0.839 738 HG LEU 94 HG LEU 94 0.994 13.360 -1.173 739 1HD1 LEU 94 1HD1 LEU 94 -1.088 11.759 -2.644 740 2HD1 LEU 94 2HD1 LEU 94 0.652 11.669 -2.887 741 3HD1 LEU 94 3HD1 LEU 94 -0.216 13.155 -3.279 742 1HD2 LEU 94 1HD2 LEU 94 -1.105 14.576 -1.497 743 2HD2 LEU 94 2HD2 LEU 94 -0.807 14.193 0.199 744 3HD2 LEU 94 3HD2 LEU 94 -1.981 13.254 -0.724 745 HA PRO 95 HA PRO 95 1.854 7.900 2.804 746 1HB PRO 95 2HB PRO 95 3.735 8.648 4.507 747 2HB PRO 95 1HB PRO 95 4.186 8.147 2.870 748 1HG PRO 95 2HG PRO 95 3.922 10.908 3.994 749 2HG PRO 95 1HG PRO 95 5.181 10.256 2.934 750 1HD PRO 95 2HD PRO 95 2.990 11.743 2.073 751 2HD PRO 95 1HD PRO 95 3.940 10.643 1.051 752 H GLU 96 H GLU 96 0.654 10.903 2.992 753 HA GLU 96 HA GLU 96 -0.763 10.427 5.392 754 1HB GLU 96 2HB GLU 96 -0.006 12.478 6.592 755 2HB GLU 96 1HB GLU 96 1.217 11.222 6.482 756 1HG GLU 96 2HG GLU 96 2.363 12.410 4.742 757 2HG GLU 96 1HG GLU 96 1.069 13.602 4.653 758 HA PRO 97 HA PRO 97 -3.720 13.137 3.257 759 1HB PRO 97 2HB PRO 97 -4.747 13.736 5.879 760 2HB PRO 97 1HB PRO 97 -5.566 12.749 4.630 761 1HG PRO 97 2HG PRO 97 -4.272 12.014 7.086 762 2HG PRO 97 1HG PRO 97 -5.079 10.944 5.930 763 1HD PRO 97 2HD PRO 97 -2.349 11.109 6.507 764 2HD PRO 97 1HD PRO 97 -3.089 10.229 5.160 765 H ASN 98 H ASN 98 -2.590 13.820 6.433 766 HA ASN 98 HA ASN 98 -1.400 16.357 5.904 767 1HB ASN 98 2HB ASN 98 -3.876 16.824 6.488 768 2HB ASN 98 1HB ASN 98 -3.613 15.933 7.977 769 1HD2 ASN 98 1HD2 ASN 98 -2.643 16.989 9.721 770 2HD2 ASN 98 2HD2 ASN 98 -2.232 18.658 9.661 771 H SER 99 H SER 99 -0.312 16.722 8.360 772 HA SER 99 HA SER 99 0.901 14.185 8.744 773 1HB SER 99 2HB SER 99 1.334 16.719 10.339 774 2HB SER 99 1HB SER 99 2.357 15.285 10.367 775 HG SER 99 HG SER 99 2.292 15.743 7.900 776 H GLN 100 H GLN 100 -1.171 13.155 9.285 777 HA GLN 100 HA GLN 100 -2.002 13.393 12.059 778 1HB GLN 100 2HB GLN 100 -2.790 11.348 9.996 779 2HB GLN 100 1HB GLN 100 -3.592 11.641 11.531 780 1HG GLN 100 2HG GLN 100 -4.039 13.933 10.793 781 2HG GLN 100 1HG GLN 100 -3.336 13.466 9.229 782 1HE2 GLN 100 1HE2 GLN 100 -5.333 11.343 11.137 783 2HE2 GLN 100 2HE2 GLN 100 -6.668 11.353 10.065 784 H GLY 101 H GLY 101 -0.321 11.106 9.968 785 1HA GLY 101 2HA GLY 101 1.237 9.543 10.431 786 2HA GLY 101 1HA GLY 101 1.378 10.245 12.035 787 H GLN 102 H GLN 102 -1.809 9.330 11.307 788 HA GLN 102 HA GLN 102 -1.527 7.183 13.228 789 1HB GLN 102 2HB GLN 102 -3.565 8.582 13.294 790 2HB GLN 102 1HB GLN 102 -4.013 7.989 11.700 791 1HG GLN 102 2HG GLN 102 -4.112 5.685 12.622 792 2HG GLN 102 1HG GLN 102 -3.780 6.337 14.217 793 1HE2 GLN 102 1HE2 GLN 102 -5.418 7.500 15.282 794 2HE2 GLN 102 2HE2 GLN 102 -7.056 7.424 14.780 795 H ARG 103 H ARG 103 -0.628 5.434 12.562 796 HA ARG 103 HA ARG 103 -1.748 4.120 10.195 797 1HB ARG 103 2HB ARG 103 0.422 2.813 10.080 798 2HB ARG 103 1HB ARG 103 0.584 4.519 9.733 799 1HG ARG 103 2HG ARG 103 2.469 3.826 11.040 800 2HG ARG 103 1HG ARG 103 1.449 4.838 12.058 801 1HD ARG 103 2HD ARG 103 0.525 2.805 13.096 802 2HD ARG 103 1HD ARG 103 1.582 1.818 12.093 803 HE ARG 103 HE ARG 103 3.110 3.713 13.480 804 1HH1 ARG 103 1HH1 ARG 103 1.282 0.732 14.085 805 2HH1 ARG 103 2HH1 ARG 103 2.166 0.282 15.451 806 1HH2 ARG 103 1HH2 ARG 103 4.316 3.137 15.330 807 2HH2 ARG 103 2HH2 ARG 103 3.974 1.707 16.215 808 H ASN 104 H ASN 104 -1.951 4.345 13.269 809 HA ASN 104 HA ASN 104 -1.763 1.845 14.433 810 1HB ASN 104 2HB ASN 104 -2.025 4.000 15.649 811 2HB ASN 104 1HB ASN 104 -3.680 4.092 15.077 812 1HD2 ASN 104 1HD2 ASN 104 -1.488 2.543 17.225 813 2HD2 ASN 104 2HD2 ASN 104 -2.676 1.761 18.208 814 H ARG 105 H ARG 105 -3.139 0.222 14.644 815 HA ARG 105 HA ARG 105 -4.880 -0.431 12.571 816 1HB ARG 105 2HB ARG 105 -3.513 -1.987 13.904 817 2HB ARG 105 1HB ARG 105 -4.469 -1.641 15.310 818 1HG ARG 105 2HG ARG 105 -5.657 -2.918 12.876 819 2HG ARG 105 1HG ARG 105 -4.774 -3.856 14.073 820 1HD ARG 105 2HD ARG 105 -6.740 -4.064 15.108 821 2HD ARG 105 1HD ARG 105 -6.514 -2.398 15.593 822 HE ARG 105 HE ARG 105 -7.886 -1.720 13.785 823 1HH1 ARG 105 1HH1 ARG 105 -7.786 -5.203 14.388 824 2HH1 ARG 105 2HH1 ARG 105 -9.395 -5.507 13.911 825 1HH2 ARG 105 1HH2 ARG 105 -10.209 -2.162 13.091 826 2HH2 ARG 105 2HH2 ARG 105 -10.756 -3.770 13.176 827 H GLU 106 H GLU 106 -5.467 0.873 15.795 828 HA GLU 106 HA GLU 106 -7.152 1.978 16.742 829 1HB GLU 106 2HB GLU 106 -6.963 3.098 14.392 830 2HB GLU 106 1HB GLU 106 -8.390 2.196 13.964 831 1HG GLU 106 2HG GLU 106 -8.346 4.197 16.227 832 2HG GLU 106 1HG GLU 106 -8.643 4.664 14.561 833 H LYS 107 H LYS 107 -9.850 1.869 16.804 834 HA LYS 107 HA LYS 107 -11.625 0.661 17.351 835 1HB LYS 107 2HB LYS 107 -11.663 -0.341 15.145 836 2HB LYS 107 1HB LYS 107 -10.411 -1.484 15.591 837 1HG LYS 107 2HG LYS 107 -11.938 -2.575 17.143 838 2HG LYS 107 1HG LYS 107 -13.194 -1.400 16.738 839 1HD LYS 107 2HD LYS 107 -13.217 -2.164 14.450 840 2HD LYS 107 1HD LYS 107 -11.877 -3.263 14.773 841 1HE LYS 107 2HE LYS 107 -13.264 -4.508 16.336 842 2HE LYS 107 1HE LYS 107 -14.607 -3.402 16.040 843 1HZ LYS 107 1HZ LYS 107 -13.294 -5.063 13.984 844 2HZ LYS 107 2HZ LYS 107 -14.714 -4.155 13.765 845 3HZ LYS 107 3HZ LYS 107 -14.708 -5.507 14.763 846 H THR 108 H THR 108 -12.157 -0.143 19.192 847 HA THR 108 HA THR 108 -10.323 -0.923 21.086 848 HB THR 108 HB THR 108 -12.388 -1.746 22.344 849 HG1 THR 108 1HG THR 108 -14.081 -2.065 21.171 850 1HG2 THR 108 1HG2 THR 108 -12.438 1.034 21.160 851 2HG2 THR 108 2HG2 THR 108 -11.525 0.537 22.588 852 3HG2 THR 108 3HG2 THR 108 -13.289 0.530 22.620 853 H GLY 109 H GLY 109 -9.169 -2.682 21.266 854 1HA GLY 109 2HA GLY 109 -9.562 -5.178 21.632 855 2HA GLY 109 1HA GLY 109 -10.127 -5.135 19.966 856 H GLU 110 H GLU 110 -8.220 -3.183 19.084 857 HA GLU 110 HA GLU 110 -6.120 -3.034 18.135 858 1HB GLU 110 2HB GLU 110 -5.278 -4.727 20.498 859 2HB GLU 110 1HB GLU 110 -4.188 -3.879 19.422 860 1HG GLU 110 2HG GLU 110 -5.064 -1.746 20.189 861 2HG GLU 110 1HG GLU 110 -6.212 -2.586 21.234 862 H SER 111 H SER 111 -7.928 -5.190 17.436 863 HA SER 111 HA SER 111 -8.072 -6.985 16.154 864 1HB SER 111 2HB SER 111 -5.045 -6.872 15.997 865 2HB SER 111 1HB SER 111 -6.027 -8.016 15.086 866 HG SER 111 HG SER 111 -5.952 -6.445 13.683 867 H ASN 112 H ASN 112 -8.675 -8.867 16.760 868 HA ASN 112 HA ASN 112 -8.067 -9.829 19.339 869 1HB ASN 112 2HB ASN 112 -10.245 -10.164 18.256 870 2HB ASN 112 1HB ASN 112 -9.489 -11.225 17.064 871 1HD2 ASN 112 1HD2 ASN 112 -10.594 -10.849 20.294 872 2HD2 ASN 112 2HD2 ASN 112 -10.473 -12.495 20.768 873 H CYS 113 H CYS 113 -6.045 -10.462 19.687 874 HA CYS 113 HA CYS 113 -4.643 -12.064 17.765 875 1HB CYS 113 2HB CYS 113 -3.894 -11.303 20.598 876 2HB CYS 113 1HB CYS 113 -2.825 -12.005 19.391 877 HG CYS 113 HG CYS 113 -4.355 -9.016 18.823 878 H CYS 114 H CYS 114 -5.432 -14.058 17.559 879 HA CYS 114 HA CYS 114 -6.630 -15.463 19.709 880 1HB CYS 114 2HB CYS 114 -5.744 -16.436 16.993 881 2HB CYS 114 1HB CYS 114 -6.791 -17.312 18.107 882 HG CYS 114 HG CYS 114 -8.287 -14.557 17.904 883 H VAL 115 H VAL 115 -5.513 -16.216 21.310 884 HA VAL 115 HA VAL 115 -2.727 -16.863 21.103 885 HB VAL 115 HB VAL 115 -4.660 -17.263 23.418 886 1HG1 VAL 115 1HG1 VAL 115 -2.663 -18.623 23.659 887 2HG1 VAL 115 2HG1 VAL 115 -2.664 -17.303 24.830 888 3HG1 VAL 115 3HG1 VAL 115 -1.645 -17.207 23.394 889 1HG2 VAL 115 1HG2 VAL 115 -4.550 -14.918 22.774 890 2HG2 VAL 115 2HG2 VAL 115 -2.789 -14.966 22.841 891 3HG2 VAL 115 3HG2 VAL 115 -3.730 -15.170 24.316 892 H ILE 116 H ILE 116 -5.780 -18.527 21.296 893 HA ILE 116 HA ILE 116 -4.472 -21.000 20.533 894 HB ILE 116 HB ILE 116 -5.922 -22.369 21.960 895 1HG1 ILE 116 2HG1 ILE 116 -7.836 -20.802 22.277 896 2HG1 ILE 116 1HG1 ILE 116 -7.288 -21.498 23.790 897 1HG2 ILE 116 1HG2 ILE 116 -3.744 -21.950 22.791 898 2HG2 ILE 116 2HG2 ILE 116 -4.881 -21.983 24.141 899 3HG2 ILE 116 3HG2 ILE 116 -4.270 -20.443 23.538 900 1HD1 ILE 116 1HD1 ILE 116 -7.867 -19.160 24.062 901 2HD1 ILE 116 2HD1 ILE 116 -6.741 -18.713 22.783 902 3HD1 ILE 116 3HD1 ILE 116 -6.130 -19.378 24.296 903 H LEU 117 H LEU 117 -6.368 -22.613 19.954 904 HA LEU 117 HA LEU 117 -8.133 -21.089 18.192 905 1HB LEU 117 2HB LEU 117 -6.519 -22.922 17.323 906 2HB LEU 117 1HB LEU 117 -7.559 -24.054 18.135 907 HG LEU 117 HG LEU 117 -7.962 -24.014 15.719 908 1HD1 LEU 117 1HD1 LEU 117 -10.311 -22.929 17.238 909 2HD1 LEU 117 2HD1 LEU 117 -9.835 -24.623 17.101 910 3HD1 LEU 117 3HD1 LEU 117 -10.372 -23.741 15.671 911 1HD2 LEU 117 1HD2 LEU 117 -7.338 -21.730 15.250 912 2HD2 LEU 117 2HD2 LEU 117 -8.745 -21.140 16.130 913 3HD2 LEU 117 3HD2 LEU 117 -8.959 -22.057 14.639 Start of MODEL 9 1 H SER 2 H SER 2 -7.353 -11.981 14.878 2 HA SER 2 HA SER 2 -8.760 -11.370 12.518 3 1HB SER 2 2HB SER 2 -7.183 -12.629 11.010 4 2HB SER 2 1HB SER 2 -6.603 -11.043 11.520 5 HG SER 2 HG SER 2 -5.900 -13.520 12.728 6 H SER 3 H SER 3 -10.323 -12.770 12.710 7 HA SER 3 HA SER 3 -9.629 -15.533 13.274 8 1HB SER 3 2HB SER 3 -10.554 -14.501 15.357 9 2HB SER 3 1HB SER 3 -12.008 -14.080 14.466 10 HG SER 3 HG SER 3 -11.182 -16.484 15.493 11 H ASN 4 H ASN 4 -9.781 -16.043 11.167 12 HA ASN 4 HA ASN 4 -10.696 -16.750 9.232 13 1HB ASN 4 2HB ASN 4 -13.341 -16.420 10.695 14 2HB ASN 4 1HB ASN 4 -13.223 -17.068 9.072 15 1HD2 ASN 4 1HD2 ASN 4 -10.933 -17.779 11.666 16 2HD2 ASN 4 2HD2 ASN 4 -11.377 -19.430 11.839 17 H VAL 5 H VAL 5 -12.693 -15.943 7.576 18 HA VAL 5 HA VAL 5 -12.441 -13.041 7.531 19 HB VAL 5 HB VAL 5 -12.575 -14.875 5.127 20 1HG1 VAL 5 1HG1 VAL 5 -11.977 -12.871 3.864 21 2HG1 VAL 5 2HG1 VAL 5 -11.923 -11.968 5.381 22 3HG1 VAL 5 3HG1 VAL 5 -13.457 -12.629 4.815 23 1HG2 VAL 5 1HG2 VAL 5 -10.437 -15.228 6.254 24 2HG2 VAL 5 2HG2 VAL 5 -10.131 -13.485 6.238 25 3HG2 VAL 5 3HG2 VAL 5 -10.225 -14.385 4.720 26 HA PRO 6 HA PRO 6 -16.902 -13.778 7.773 27 1HB PRO 6 2HB PRO 6 -17.262 -10.940 7.469 28 2HB PRO 6 1HB PRO 6 -17.563 -11.931 8.888 29 1HG PRO 6 2HG PRO 6 -15.542 -10.070 8.595 30 2HG PRO 6 1HG PRO 6 -15.550 -11.367 9.805 31 1HD PRO 6 2HD PRO 6 -14.008 -11.097 7.301 32 2HD PRO 6 1HD PRO 6 -13.658 -12.051 8.754 33 H ALA 7 H ALA 7 -18.533 -13.897 6.260 34 HA ALA 7 HA ALA 7 -17.845 -13.035 3.645 35 1HB ALA 7 1HB ALA 7 -18.964 -15.183 3.962 36 2HB ALA 7 2HB ALA 7 -19.855 -14.075 2.903 37 3HB ALA 7 3HB ALA 7 -20.393 -14.324 4.571 38 H ASP 8 H ASP 8 -17.682 -11.000 4.172 39 HA ASP 8 HA ASP 8 -19.974 -9.376 3.451 40 1HB ASP 8 2HB ASP 8 -20.183 -9.407 5.923 41 2HB ASP 8 1HB ASP 8 -18.506 -8.898 6.073 42 H MET 9 H MET 9 -16.715 -9.712 4.543 43 HA MET 9 HA MET 9 -15.913 -7.611 2.705 44 1HB MET 9 2HB MET 9 -14.122 -6.970 4.419 45 2HB MET 9 1HB MET 9 -15.784 -6.528 4.843 46 1HG MET 9 2HG MET 9 -15.639 -8.726 6.175 47 2HG MET 9 1HG MET 9 -13.901 -8.541 5.940 48 1HE MET 9 1HE MET 9 -14.212 -5.173 5.699 49 2HE MET 9 2HE MET 9 -12.757 -5.893 6.383 50 3HE MET 9 3HE MET 9 -13.669 -4.693 7.302 51 H ILE 10 H ILE 10 -13.554 -7.700 2.163 52 HA ILE 10 HA ILE 10 -12.995 -10.500 1.685 53 HB ILE 10 HB ILE 10 -11.923 -9.749 -0.513 54 1HG1 ILE 10 2HG1 ILE 10 -13.046 -7.671 -1.494 55 2HG1 ILE 10 1HG1 ILE 10 -13.375 -7.236 0.179 56 1HG2 ILE 10 1HG2 ILE 10 -14.869 -9.416 -0.181 57 2HG2 ILE 10 2HG2 ILE 10 -13.986 -10.907 -0.620 58 3HG2 ILE 10 3HG2 ILE 10 -14.011 -9.498 -1.705 59 1HD1 ILE 10 1HD1 ILE 10 -11.455 -6.094 -0.694 60 2HD1 ILE 10 2HD1 ILE 10 -10.756 -7.635 -1.150 61 3HD1 ILE 10 3HD1 ILE 10 -10.937 -7.227 0.584 62 H ASN 11 H ASN 11 -10.953 -11.296 1.755 63 HA ASN 11 HA ASN 11 -9.141 -9.748 3.415 64 1HB ASN 11 2HB ASN 11 -9.680 -12.099 3.999 65 2HB ASN 11 1HB ASN 11 -9.067 -12.611 2.467 66 1HD2 ASN 11 1HD2 ASN 11 -7.287 -10.134 4.278 67 2HD2 ASN 11 2HD2 ASN 11 -5.994 -11.213 4.670 68 H LEU 12 H LEU 12 -7.819 -8.433 2.375 69 HA LEU 12 HA LEU 12 -6.910 -9.258 -0.269 70 1HB LEU 12 2HB LEU 12 -8.443 -7.496 -0.466 71 2HB LEU 12 1HB LEU 12 -7.707 -6.607 0.846 72 HG LEU 12 HG LEU 12 -5.744 -6.189 -0.560 73 1HD1 LEU 12 1HD1 LEU 12 -5.817 -6.613 -2.937 74 2HD1 LEU 12 2HD1 LEU 12 -7.261 -7.625 -2.721 75 3HD1 LEU 12 3HD1 LEU 12 -5.713 -8.053 -1.947 76 1HD2 LEU 12 1HD2 LEU 12 -7.504 -4.570 -0.450 77 2HD2 LEU 12 2HD2 LEU 12 -8.370 -5.386 -1.756 78 3HD2 LEU 12 3HD2 LEU 12 -6.821 -4.604 -2.077 79 H ARG 13 H ARG 13 -4.828 -9.356 -0.588 80 HA ARG 13 HA ARG 13 -3.065 -8.091 1.351 81 1HB ARG 13 2HB ARG 13 -2.799 -10.559 1.048 82 2HB ARG 13 1HB ARG 13 -2.440 -10.265 -0.637 83 1HG ARG 13 2HG ARG 13 -0.402 -9.236 -0.167 84 2HG ARG 13 1HG ARG 13 -0.819 -8.987 1.529 85 1HD ARG 13 2HD ARG 13 0.760 -10.789 1.332 86 2HD ARG 13 1HD ARG 13 -0.813 -11.382 1.873 87 HE ARG 13 HE ARG 13 0.280 -11.689 -0.842 88 1HH1 ARG 13 1HH1 ARG 13 -1.927 -12.858 1.762 89 2HH1 ARG 13 2HH1 ARG 13 -2.106 -14.369 1.025 90 1HH2 ARG 13 1HH2 ARG 13 -0.058 -13.844 -1.782 91 2HH2 ARG 13 2HH2 ARG 13 -1.086 -14.935 -0.959 92 H LEU 14 H LEU 14 -2.192 -6.419 0.783 93 HA LEU 14 HA LEU 14 -2.153 -5.474 -1.984 94 1HB LEU 14 2HB LEU 14 -1.713 -3.950 0.647 95 2HB LEU 14 1HB LEU 14 -1.602 -3.225 -0.928 96 HG LEU 14 HG LEU 14 -3.589 -2.614 0.100 97 1HD1 LEU 14 1HD1 LEU 14 -3.717 -2.857 -2.264 98 2HD1 LEU 14 2HD1 LEU 14 -5.267 -3.252 -1.518 99 3HD1 LEU 14 3HD1 LEU 14 -4.208 -4.544 -2.098 100 1HD2 LEU 14 1HD2 LEU 14 -4.240 -5.524 0.358 101 2HD2 LEU 14 2HD2 LEU 14 -5.408 -4.218 0.551 102 3HD2 LEU 14 3HD2 LEU 14 -4.053 -4.365 1.686 103 H ILE 15 H ILE 15 -0.287 -5.661 -3.114 104 HA ILE 15 HA ILE 15 2.141 -5.912 -1.539 105 HB ILE 15 HB ILE 15 1.813 -6.387 -4.520 106 1HG1 ILE 15 2HG1 ILE 15 1.753 -8.371 -2.197 107 2HG1 ILE 15 1HG1 ILE 15 0.469 -7.982 -3.298 108 1HG2 ILE 15 1HG2 ILE 15 4.000 -7.529 -4.271 109 2HG2 ILE 15 2HG2 ILE 15 4.028 -7.002 -2.573 110 3HG2 ILE 15 3HG2 ILE 15 4.069 -5.810 -3.863 111 1HD1 ILE 15 1HD1 ILE 15 1.664 -8.937 -5.151 112 2HD1 ILE 15 2HD1 ILE 15 1.490 -10.111 -3.847 113 3HD1 ILE 15 3HD1 ILE 15 3.037 -9.302 -4.108 114 H LEU 16 H LEU 16 3.346 -4.267 -1.313 115 HA LEU 16 HA LEU 16 2.665 -1.737 -2.489 116 1HB LEU 16 2HB LEU 16 5.047 -2.455 -0.798 117 2HB LEU 16 1HB LEU 16 4.437 -0.844 -1.114 118 HG LEU 16 HG LEU 16 3.072 -2.994 0.486 119 1HD1 LEU 16 1HD1 LEU 16 3.410 -1.475 2.367 120 2HD1 LEU 16 2HD1 LEU 16 4.313 -0.385 1.313 121 3HD1 LEU 16 3HD1 LEU 16 4.932 -2.000 1.652 122 1HD2 LEU 16 1HD2 LEU 16 2.162 -0.190 -0.152 123 2HD2 LEU 16 2HD2 LEU 16 1.406 -1.277 1.008 124 3HD2 LEU 16 3HD2 LEU 16 1.410 -1.690 -0.704 125 H VAL 17 H VAL 17 4.348 -0.302 -3.444 126 HA VAL 17 HA VAL 17 5.615 -1.489 -5.698 127 HB VAL 17 HB VAL 17 6.544 0.783 -6.117 128 1HG1 VAL 17 1HG1 VAL 17 3.629 0.740 -5.384 129 2HG1 VAL 17 2HG1 VAL 17 4.352 0.238 -6.920 130 3HG1 VAL 17 3HG1 VAL 17 4.421 1.929 -6.421 131 1HG2 VAL 17 1HG2 VAL 17 5.197 1.511 -3.512 132 2HG2 VAL 17 2HG2 VAL 17 5.917 2.655 -4.645 133 3HG2 VAL 17 3HG2 VAL 17 6.933 1.483 -3.807 134 H SER 18 H SER 18 6.505 -1.063 -2.521 135 HA SER 18 HA SER 18 9.341 -0.897 -2.862 136 1HB SER 18 2HB SER 18 7.702 -1.561 -0.421 137 2HB SER 18 1HB SER 18 9.355 -0.946 -0.469 138 HG SER 18 HG SER 18 8.632 0.979 -0.721 139 H GLY 19 H GLY 19 7.062 -3.354 -3.220 140 1HA GLY 19 2HA GLY 19 7.492 -5.572 -3.696 141 2HA GLY 19 1HA GLY 19 9.098 -5.395 -3.004 142 H LYS 20 H LYS 20 7.197 -4.066 -0.782 143 HA LYS 20 HA LYS 20 7.219 -6.503 0.768 144 1HB LYS 20 2HB LYS 20 6.673 -3.643 1.626 145 2HB LYS 20 1HB LYS 20 6.502 -5.009 2.708 146 1HG LYS 20 2HG LYS 20 8.623 -3.942 3.125 147 2HG LYS 20 1HG LYS 20 8.919 -5.513 2.391 148 1HD LYS 20 2HD LYS 20 9.257 -4.389 0.214 149 2HD LYS 20 1HD LYS 20 9.001 -2.833 1.000 150 1HE LYS 20 2HE LYS 20 10.953 -3.251 2.435 151 2HE LYS 20 1HE LYS 20 11.195 -4.803 1.638 152 1HZ LYS 20 1HZ LYS 20 11.554 -3.581 -0.473 153 2HZ LYS 20 2HZ LYS 20 12.662 -3.129 0.726 154 3HZ LYS 20 3HZ LYS 20 11.388 -2.121 0.359 155 H THR 21 H THR 21 5.513 -7.635 1.359 156 HA THR 21 HA THR 21 2.952 -6.871 0.181 157 HB THR 21 HB THR 21 2.350 -9.186 0.508 158 HG1 THR 21 1HG THR 21 3.970 -9.221 2.434 159 1HG2 THR 21 1HG2 THR 21 3.590 -8.652 -1.535 160 2HG2 THR 21 2HG2 THR 21 4.022 -10.265 -0.970 161 3HG2 THR 21 3HG2 THR 21 5.114 -8.910 -0.687 162 H LYS 22 H LYS 22 1.287 -6.242 1.483 163 HA LYS 22 HA LYS 22 1.360 -7.082 4.302 164 1HB LYS 22 2HB LYS 22 0.628 -4.299 3.326 165 2HB LYS 22 1HB LYS 22 0.466 -4.871 4.984 166 1HG LYS 22 2HG LYS 22 2.879 -5.164 5.144 167 2HG LYS 22 1HG LYS 22 3.066 -4.656 3.470 168 1HD LYS 22 2HD LYS 22 3.620 -2.825 4.939 169 2HD LYS 22 1HD LYS 22 2.130 -2.451 4.080 170 1HE LYS 22 2HE LYS 22 0.838 -3.121 6.076 171 2HE LYS 22 1HE LYS 22 2.351 -3.458 6.920 172 1HZ LYS 22 1HZ LYS 22 2.951 -1.129 6.681 173 2HZ LYS 22 2HZ LYS 22 1.485 -1.280 7.486 174 3HZ LYS 22 3HZ LYS 22 1.505 -0.820 5.865 175 H GLU 23 H GLU 23 -0.644 -7.652 5.165 176 HA GLU 23 HA GLU 23 -2.830 -7.664 3.185 177 1HB GLU 23 2HB GLU 23 -1.615 -9.853 3.472 178 2HB GLU 23 1HB GLU 23 -2.192 -9.857 5.130 179 1HG GLU 23 2HG GLU 23 -4.523 -9.724 4.175 180 2HG GLU 23 1HG GLU 23 -3.793 -9.977 2.625 181 H PHE 24 H PHE 24 -4.778 -7.067 3.923 182 HA PHE 24 HA PHE 24 -5.349 -7.063 6.767 183 1HB PHE 24 2HB PHE 24 -5.568 -4.586 5.052 184 2HB PHE 24 1HB PHE 24 -6.209 -4.716 6.670 185 HD1 PHE 24 1HD PHE 24 -4.599 -4.919 8.595 186 HD2 PHE 24 2HD PHE 24 -3.316 -4.103 4.628 187 HE1 PHE 24 1HE PHE 24 -2.436 -4.119 9.458 188 HE2 PHE 24 2HE PHE 24 -1.162 -3.302 5.477 189 HZ PHE 24 HZ PHE 24 -0.714 -3.310 7.900 190 H LEU 25 H LEU 25 -7.658 -6.740 7.152 191 HA LEU 25 HA LEU 25 -9.226 -7.886 4.993 192 1HB LEU 25 2HB LEU 25 -9.395 -8.510 7.544 193 2HB LEU 25 1HB LEU 25 -10.185 -6.941 7.642 194 HG LEU 25 HG LEU 25 -12.016 -7.641 6.331 195 1HD1 LEU 25 1HD1 LEU 25 -10.609 -10.285 6.069 196 2HD1 LEU 25 2HD1 LEU 25 -10.904 -9.112 4.775 197 3HD1 LEU 25 3HD1 LEU 25 -12.255 -9.916 5.558 198 1HD2 LEU 25 1HD2 LEU 25 -12.939 -9.322 7.829 199 2HD2 LEU 25 2HD2 LEU 25 -12.049 -8.094 8.730 200 3HD2 LEU 25 3HD2 LEU 25 -11.323 -9.676 8.442 201 H PHE 26 H PHE 26 -10.427 -6.629 3.640 202 HA PHE 26 HA PHE 26 -11.249 -3.964 4.530 203 1HB PHE 26 2HB PHE 26 -9.992 -4.643 1.852 204 2HB PHE 26 1HB PHE 26 -10.847 -3.147 2.174 205 HD1 PHE 26 1HD PHE 26 -7.699 -4.966 2.542 206 HD2 PHE 26 2HD PHE 26 -9.885 -1.509 3.755 207 HE1 PHE 26 1HE PHE 26 -5.644 -3.934 3.278 208 HE2 PHE 26 2HE PHE 26 -7.783 -0.468 4.525 209 HZ PHE 26 HZ PHE 26 -5.644 -1.697 4.267 210 H SER 27 H SER 27 -12.940 -3.139 2.761 211 HA SER 27 HA SER 27 -14.736 -5.411 2.496 212 1HB SER 27 2HB SER 27 -16.525 -3.756 2.260 213 2HB SER 27 1HB SER 27 -15.596 -3.410 3.702 214 HG SER 27 HG SER 27 -14.361 -1.946 2.236 215 HA PRO 28 HA PRO 28 -14.180 -5.525 -1.874 216 1HB PRO 28 2HB PRO 28 -16.731 -6.094 -2.739 217 2HB PRO 28 1HB PRO 28 -15.658 -7.275 -2.001 218 1HG PRO 28 2HG PRO 28 -17.793 -5.637 -0.695 219 2HG PRO 28 1HG PRO 28 -17.498 -7.381 -0.566 220 1HD PRO 28 2HD PRO 28 -16.648 -5.764 1.351 221 2HD PRO 28 1HD PRO 28 -15.612 -7.091 0.755 222 H ASN 29 H ASN 29 -16.158 -3.252 -0.344 223 HA ASN 29 HA ASN 29 -17.012 -1.763 -2.684 224 1HB ASN 29 2HB ASN 29 -18.391 -2.035 -0.585 225 2HB ASN 29 1HB ASN 29 -17.216 -1.039 0.254 226 1HD2 ASN 29 1HD2 ASN 29 -17.143 1.211 -0.226 227 2HD2 ASN 29 2HD2 ASN 29 -18.433 1.992 -1.049 228 H ASP 30 H ASP 30 -14.295 -1.923 -0.603 229 HA ASP 30 HA ASP 30 -13.552 0.823 -0.671 230 1HB ASP 30 2HB ASP 30 -11.938 -1.620 0.098 231 2HB ASP 30 1HB ASP 30 -11.255 -0.005 0.116 232 H SER 31 H SER 31 -11.690 1.764 -1.648 233 HA SER 31 HA SER 31 -11.391 0.900 -4.389 234 1HB SER 31 2HB SER 31 -10.226 3.199 -4.368 235 2HB SER 31 1HB SER 31 -11.979 3.137 -4.237 236 HG SER 31 HG SER 31 -10.323 3.142 -1.942 237 H ALA 32 H ALA 32 -9.753 -0.245 -4.971 238 HA ALA 32 HA ALA 32 -7.770 -1.371 -3.370 239 1HB ALA 32 1HB ALA 32 -8.541 -2.251 -5.517 240 2HB ALA 32 2HB ALA 32 -6.773 -2.094 -5.482 241 3HB ALA 32 3HB ALA 32 -7.762 -0.903 -6.327 242 H SER 33 H SER 33 -7.301 1.345 -5.681 243 HA SER 33 HA SER 33 -4.559 1.496 -5.009 244 1HB SER 33 2HB SER 33 -6.232 3.527 -6.546 245 2HB SER 33 1HB SER 33 -4.469 3.334 -6.583 246 HG SER 33 HG SER 33 -4.632 1.642 -7.809 247 H ASP 34 H ASP 34 -7.400 2.930 -3.664 248 HA ASP 34 HA ASP 34 -6.143 5.004 -2.095 249 1HB ASP 34 2HB ASP 34 -8.700 4.862 -2.437 250 2HB ASP 34 1HB ASP 34 -8.612 3.399 -1.524 251 H ILE 35 H ILE 35 -7.213 1.722 -1.506 252 HA ILE 35 HA ILE 35 -6.366 1.340 1.109 253 HB ILE 35 HB ILE 35 -6.384 -0.639 -1.173 254 1HG1 ILE 35 2HG1 ILE 35 -8.466 -0.101 0.946 255 2HG1 ILE 35 1HG1 ILE 35 -8.587 0.349 -0.755 256 1HG2 ILE 35 1HG2 ILE 35 -6.471 -2.362 0.530 257 2HG2 ILE 35 2HG2 ILE 35 -6.336 -1.123 1.777 258 3HG2 ILE 35 3HG2 ILE 35 -5.002 -1.386 0.659 259 1HD1 ILE 35 1HD1 ILE 35 -9.865 -1.668 -0.321 260 2HD1 ILE 35 2HD1 ILE 35 -8.423 -2.435 0.351 261 3HD1 ILE 35 3HD1 ILE 35 -8.476 -2.034 -1.357 262 H ALA 36 H ALA 36 -4.637 0.860 -1.928 263 HA ALA 36 HA ALA 36 -2.245 -0.184 -1.140 264 1HB ALA 36 1HB ALA 36 -2.930 0.262 -3.466 265 2HB ALA 36 2HB ALA 36 -1.290 0.807 -3.115 266 3HB ALA 36 3HB ALA 36 -2.607 1.976 -3.203 267 H LYS 37 H LYS 37 -3.340 3.154 -0.797 268 HA LYS 37 HA LYS 37 -0.782 4.167 -0.115 269 1HB LYS 37 2HB LYS 37 -3.550 5.196 0.282 270 2HB LYS 37 1HB LYS 37 -2.115 6.190 0.486 271 1HG LYS 37 2HG LYS 37 -3.276 5.009 -2.026 272 2HG LYS 37 1HG LYS 37 -3.092 6.712 -1.608 273 1HD LYS 37 2HD LYS 37 -0.616 6.375 -1.657 274 2HD LYS 37 1HD LYS 37 -0.900 4.733 -2.248 275 1HE LYS 37 2HE LYS 37 -0.434 6.207 -4.110 276 2HE LYS 37 1HE LYS 37 -2.118 5.677 -4.176 277 1HZ LYS 37 1HZ LYS 37 -1.162 8.253 -3.086 278 2HZ LYS 37 2HZ LYS 37 -2.736 7.798 -3.101 279 3HZ LYS 37 3HZ LYS 37 -1.950 8.114 -4.575 280 H HIS 38 H HIS 38 -3.743 3.324 1.595 281 HA HIS 38 HA HIS 38 -2.899 3.945 4.209 282 1HB HIS 38 2HB HIS 38 -5.278 3.641 3.732 283 2HB HIS 38 1HB HIS 38 -5.012 1.961 3.303 284 HD1 HIS 38 1HD HIS 38 -5.410 4.222 6.284 285 HD2 HIS 38 2HD HIS 38 -4.776 0.197 5.476 286 HE1 HIS 38 1HE HIS 38 -5.728 3.044 8.463 287 HE2 HIS 38 2HE HIS 38 -5.685 0.619 7.859 288 H VAL 39 H VAL 39 -2.661 0.931 2.377 289 HA VAL 39 HA VAL 39 -1.538 -0.501 4.565 290 HB VAL 39 HB VAL 39 -1.054 -2.267 2.930 291 1HG1 VAL 39 1HG1 VAL 39 -3.818 -1.061 2.757 292 2HG1 VAL 39 2HG1 VAL 39 -3.243 -2.119 4.034 293 3HG1 VAL 39 3HG1 VAL 39 -3.421 -2.732 2.395 294 1HG2 VAL 39 1HG2 VAL 39 -2.302 -0.354 1.018 295 2HG2 VAL 39 2HG2 VAL 39 -1.809 -2.006 0.649 296 3HG2 VAL 39 3HG2 VAL 39 -0.591 -0.770 1.025 297 H TYR 40 H TYR 40 -0.254 1.417 1.956 298 HA TYR 40 HA TYR 40 2.392 0.559 1.986 299 1HB TYR 40 2HB TYR 40 1.522 2.131 0.299 300 2HB TYR 40 1HB TYR 40 1.378 3.377 1.532 301 HD1 TYR 40 1HD TYR 40 3.776 1.348 -0.414 302 HD2 TYR 40 2HD TYR 40 3.280 4.683 2.184 303 HE1 TYR 40 1HE TYR 40 6.068 2.063 -0.902 304 HE2 TYR 40 2HE TYR 40 5.581 5.407 1.698 305 HH TYR 40 HH TYR 40 7.660 4.431 0.928 306 H ASP 41 H ASP 41 0.894 3.149 3.923 307 HA ASP 41 HA ASP 41 2.130 2.580 6.339 308 1HB ASP 41 2HB ASP 41 4.298 3.098 5.265 309 2HB ASP 41 1HB ASP 41 3.708 4.704 4.850 310 H ASN 42 H ASN 42 1.663 5.447 4.343 311 HA ASN 42 HA ASN 42 0.638 6.946 6.593 312 1HB ASN 42 2HB ASN 42 2.124 7.827 4.654 313 2HB ASN 42 1HB ASN 42 0.666 7.801 3.686 314 1HD2 ASN 42 1HD2 ASN 42 2.345 10.004 4.392 315 2HD2 ASN 42 2HD2 ASN 42 1.369 11.169 5.221 316 H TRP 43 H TRP 43 -1.496 8.150 6.208 317 HA TRP 43 HA TRP 43 -3.396 6.231 5.123 318 1HB TRP 43 2HB TRP 43 -5.013 7.148 6.818 319 2HB TRP 43 1HB TRP 43 -3.640 6.308 7.520 320 HD1 TRP 43 HD TRP 43 -5.357 9.665 7.418 321 HE1 TRP 43 1HE TRP 43 -4.233 11.287 9.031 322 HE3 TRP 43 3HE TRP 43 -1.249 6.864 8.591 323 HZ2 TRP 43 2HZ TRP 43 -1.879 11.369 10.628 324 HZ3 TRP 43 3HZ TRP 43 0.389 7.786 10.177 325 HH2 TRP 43 HH TRP 43 0.080 9.990 11.171 326 HA PRO 44 HA PRO 44 -4.320 9.255 1.990 327 1HB PRO 44 2HB PRO 44 -6.909 7.810 2.093 328 2HB PRO 44 1HB PRO 44 -5.908 8.250 0.711 329 1HG PRO 44 2HG PRO 44 -5.931 5.750 1.624 330 2HG PRO 44 1HG PRO 44 -4.498 6.554 0.977 331 1HD PRO 44 2HD PRO 44 -5.122 5.822 3.750 332 2HD PRO 44 1HD PRO 44 -3.573 6.022 2.935 333 H MET 45 H MET 45 -4.502 11.144 3.121 334 HA MET 45 HA MET 45 -7.208 12.096 3.574 335 1HB MET 45 2HB MET 45 -5.082 12.293 5.717 336 2HB MET 45 1HB MET 45 -6.529 13.281 5.703 337 1HG MET 45 2HG MET 45 -6.445 10.279 5.871 338 2HG MET 45 1HG MET 45 -6.725 11.372 7.234 339 1HE MET 45 1HE MET 45 -8.914 12.918 7.430 340 2HE MET 45 2HE MET 45 -10.214 12.915 6.238 341 3HE MET 45 3HE MET 45 -8.637 13.572 5.813 342 H ASP 46 H ASP 46 -3.761 12.896 3.528 343 HA ASP 46 HA ASP 46 -4.422 15.321 2.020 344 1HB ASP 46 2HB ASP 46 -2.384 15.086 4.257 345 2HB ASP 46 1HB ASP 46 -2.486 16.449 3.156 346 H TRP 47 H TRP 47 -2.180 16.142 1.017 347 HA TRP 47 HA TRP 47 -0.331 14.010 0.566 348 1HB TRP 47 2HB TRP 47 -0.588 13.811 -1.818 349 2HB TRP 47 1HB TRP 47 -2.160 13.519 -1.097 350 HD1 TRP 47 HD TRP 47 -0.486 15.458 -3.756 351 HE1 TRP 47 1HE TRP 47 -2.081 17.198 -4.791 352 HE3 TRP 47 3HE TRP 47 -4.221 15.352 -0.260 353 HZ2 TRP 47 2HZ TRP 47 -4.565 18.363 -4.216 354 HZ3 TRP 47 3HZ TRP 47 -6.167 16.819 -0.584 355 HH2 TRP 47 HH TRP 47 -6.332 18.290 -2.520 356 H GLU 48 H GLU 48 1.406 14.767 -0.979 357 HA GLU 48 HA GLU 48 1.595 17.631 -1.210 358 1HB GLU 48 2HB GLU 48 2.743 16.926 0.927 359 2HB GLU 48 1HB GLU 48 3.765 15.869 -0.026 360 1HG GLU 48 2HG GLU 48 4.736 17.779 -1.153 361 2HG GLU 48 1HG GLU 48 3.653 18.867 -0.286 362 H GLU 49 H GLU 49 1.841 17.839 -3.302 363 HA GLU 49 HA GLU 49 2.509 15.530 -4.900 364 1HB GLU 49 2HB GLU 49 0.452 16.705 -5.364 365 2HB GLU 49 1HB GLU 49 1.311 18.212 -5.534 366 1HG GLU 49 2HG GLU 49 1.740 15.931 -7.444 367 2HG GLU 49 1HG GLU 49 0.400 17.049 -7.631 368 H GLU 50 H GLU 50 4.418 15.105 -5.776 369 HA GLU 50 HA GLU 50 6.092 17.349 -6.641 370 1HB GLU 50 2HB GLU 50 8.063 15.910 -6.366 371 2HB GLU 50 1HB GLU 50 7.231 16.089 -4.837 372 1HG GLU 50 2HG GLU 50 6.907 13.638 -6.610 373 2HG GLU 50 1HG GLU 50 8.118 13.760 -5.361 374 H GLN 51 H GLN 51 7.191 17.029 -8.643 375 HA GLN 51 HA GLN 51 7.473 16.407 -10.776 376 1HB GLN 51 2HB GLN 51 6.838 13.665 -9.698 377 2HB GLN 51 1HB GLN 51 7.432 13.966 -11.323 378 1HG GLN 51 2HG GLN 51 9.452 15.013 -10.356 379 2HG GLN 51 1HG GLN 51 8.861 14.590 -8.751 380 1HE2 GLN 51 1HE2 GLN 51 10.643 13.321 -8.374 381 2HE2 GLN 51 2HE2 GLN 51 10.855 11.767 -9.101 382 H VAL 52 H VAL 52 4.728 17.149 -9.855 383 HA VAL 52 HA VAL 52 2.789 17.658 -10.863 384 HB VAL 52 HB VAL 52 3.916 16.356 -13.398 385 1HG1 VAL 52 1HG1 VAL 52 2.406 17.850 -14.631 386 2HG1 VAL 52 2HG1 VAL 52 1.767 18.462 -13.105 387 3HG1 VAL 52 3HG1 VAL 52 1.514 16.776 -13.552 388 1HG2 VAL 52 1HG2 VAL 52 4.659 18.598 -14.073 389 2HG2 VAL 52 2HG2 VAL 52 5.465 18.061 -12.603 390 3HG2 VAL 52 3HG2 VAL 52 4.151 19.234 -12.510 391 H SER 53 H SER 53 3.059 15.379 -9.328 392 HA SER 53 HA SER 53 1.908 13.119 -10.472 393 1HB SER 53 2HB SER 53 1.943 13.958 -7.571 394 2HB SER 53 1HB SER 53 1.390 12.395 -8.186 395 HG SER 53 HG SER 53 3.989 13.442 -8.071 396 H SER 54 H SER 54 0.200 13.054 -11.469 397 HA SER 54 HA SER 54 -2.206 14.503 -10.611 398 1HB SER 54 2HB SER 54 -1.430 13.283 -13.285 399 2HB SER 54 1HB SER 54 -2.811 14.339 -12.977 400 HG SER 54 HG SER 54 -0.179 15.163 -12.392 401 HA PRO 55 HA PRO 55 -4.660 10.616 -10.056 402 1HB PRO 55 2HB PRO 55 -5.669 10.841 -12.835 403 2HB PRO 55 1HB PRO 55 -6.589 10.492 -11.360 404 1HG PRO 55 2HG PRO 55 -6.729 12.908 -12.405 405 2HG PRO 55 1HG PRO 55 -6.510 12.736 -10.653 406 1HD PRO 55 2HD PRO 55 -4.548 13.487 -12.753 407 2HD PRO 55 1HD PRO 55 -4.695 14.102 -11.093 408 H ASN 56 H ASN 56 -2.739 11.044 -12.803 409 HA ASN 56 HA ASN 56 -2.611 8.609 -14.141 410 1HB ASN 56 2HB ASN 56 -0.383 10.570 -13.606 411 2HB ASN 56 1HB ASN 56 -0.359 9.322 -14.840 412 1HD2 ASN 56 1HD2 ASN 56 -0.160 12.247 -15.019 413 2HD2 ASN 56 2HD2 ASN 56 -1.419 12.723 -16.079 414 H ILE 57 H ILE 57 -1.351 9.496 -11.036 415 HA ILE 57 HA ILE 57 0.597 7.419 -10.950 416 HB ILE 57 HB ILE 57 1.001 8.128 -8.619 417 1HG1 ILE 57 2HG1 ILE 57 -0.230 10.318 -7.888 418 2HG1 ILE 57 1HG1 ILE 57 -1.433 9.861 -9.071 419 1HG2 ILE 57 1HG2 ILE 57 1.795 10.374 -9.098 420 2HG2 ILE 57 2HG2 ILE 57 0.702 10.471 -10.464 421 3HG2 ILE 57 3HG2 ILE 57 2.046 9.349 -10.521 422 1HD1 ILE 57 1HD1 ILE 57 -2.107 9.220 -6.835 423 2HD1 ILE 57 2HD1 ILE 57 -0.650 8.242 -6.659 424 3HD1 ILE 57 3HD1 ILE 57 -1.869 7.803 -7.854 425 H LEU 58 H LEU 58 -2.727 7.372 -10.597 426 HA LEU 58 HA LEU 58 -2.782 5.210 -8.650 427 1HB LEU 58 2HB LEU 58 -4.998 6.667 -10.081 428 2HB LEU 58 1HB LEU 58 -5.257 5.349 -8.964 429 HG LEU 58 HG LEU 58 -4.004 8.004 -8.247 430 1HD1 LEU 58 1HD1 LEU 58 -6.097 8.419 -7.060 431 2HD1 LEU 58 2HD1 LEU 58 -6.757 6.907 -7.685 432 3HD1 LEU 58 3HD1 LEU 58 -6.370 8.225 -8.790 433 1HD2 LEU 58 1HD2 LEU 58 -4.267 7.228 -5.943 434 2HD2 LEU 58 2HD2 LEU 58 -3.197 6.164 -6.846 435 3HD2 LEU 58 3HD2 LEU 58 -4.861 5.674 -6.523 436 H ARG 59 H ARG 59 -2.470 3.225 -9.281 437 HA ARG 59 HA ARG 59 -3.876 2.160 -11.599 438 1HB ARG 59 2HB ARG 59 -1.020 1.783 -10.900 439 2HB ARG 59 1HB ARG 59 -1.869 0.749 -12.034 440 1HG ARG 59 2HG ARG 59 -1.164 3.677 -12.385 441 2HG ARG 59 1HG ARG 59 -0.451 2.272 -13.189 442 1HD ARG 59 2HD ARG 59 -2.620 1.790 -14.239 443 2HD ARG 59 1HD ARG 59 -3.274 3.258 -13.512 444 HE ARG 59 HE ARG 59 -0.942 3.921 -14.873 445 1HH1 ARG 59 1HH1 ARG 59 -4.236 2.852 -15.678 446 2HH1 ARG 59 2HH1 ARG 59 -4.233 3.582 -17.210 447 1HH2 ARG 59 1HH2 ARG 59 -0.957 4.889 -16.981 448 2HH2 ARG 59 2HH2 ARG 59 -2.317 4.750 -17.978 449 H LEU 60 H LEU 60 -4.004 -0.224 -11.384 450 HA LEU 60 HA LEU 60 -2.996 -1.319 -8.949 451 1HB LEU 60 2HB LEU 60 -5.100 -2.346 -8.273 452 2HB LEU 60 1HB LEU 60 -5.207 -0.608 -8.248 453 HG LEU 60 HG LEU 60 -6.455 -0.795 -10.468 454 1HD1 LEU 60 1HD1 LEU 60 -6.667 -3.687 -9.646 455 2HD1 LEU 60 2HD1 LEU 60 -5.847 -3.075 -11.081 456 3HD1 LEU 60 3HD1 LEU 60 -7.596 -2.897 -10.917 457 1HD2 LEU 60 1HD2 LEU 60 -8.525 -1.385 -9.353 458 2HD2 LEU 60 2HD2 LEU 60 -7.534 -0.264 -8.415 459 3HD2 LEU 60 3HD2 LEU 60 -7.598 -1.987 -7.991 460 H ILE 61 H ILE 61 -2.724 -3.541 -9.034 461 HA ILE 61 HA ILE 61 -2.998 -4.682 -11.716 462 HB ILE 61 HB ILE 61 -0.951 -5.150 -9.568 463 1HG1 ILE 61 2HG1 ILE 61 -0.621 -4.018 -12.320 464 2HG1 ILE 61 1HG1 ILE 61 -0.729 -3.048 -10.860 465 1HG2 ILE 61 1HG2 ILE 61 -1.193 -6.418 -12.308 466 2HG2 ILE 61 2HG2 ILE 61 -1.431 -7.235 -10.765 467 3HG2 ILE 61 3HG2 ILE 61 0.169 -6.640 -11.212 468 1HD1 ILE 61 1HD1 ILE 61 1.586 -3.318 -11.587 469 2HD1 ILE 61 2HD1 ILE 61 1.404 -5.071 -11.542 470 3HD1 ILE 61 3HD1 ILE 61 1.342 -4.141 -10.048 471 H TYR 62 H TYR 62 -4.184 -6.453 -11.777 472 HA TYR 62 HA TYR 62 -4.937 -7.586 -9.214 473 1HB TYR 62 2HB TYR 62 -6.832 -6.859 -10.675 474 2HB TYR 62 1HB TYR 62 -6.263 -7.936 -11.932 475 HD1 TYR 62 1HD TYR 62 -8.419 -9.048 -12.108 476 HD2 TYR 62 2HD TYR 62 -6.327 -9.021 -8.397 477 HE1 TYR 62 1HE TYR 62 -9.938 -10.773 -11.257 478 HE2 TYR 62 2HE TYR 62 -7.837 -10.765 -7.542 479 HH TYR 62 HH TYR 62 -10.085 -11.618 -7.981 480 H GLN 63 H GLN 63 -3.133 -8.506 -8.883 481 HA GLN 63 HA GLN 63 -1.510 -9.692 -8.793 482 1HB GLN 63 2HB GLN 63 -3.383 -11.218 -8.326 483 2HB GLN 63 1HB GLN 63 -3.146 -11.889 -9.935 484 1HG GLN 63 2HG GLN 63 -0.783 -11.630 -8.344 485 2HG GLN 63 1HG GLN 63 -1.978 -12.720 -7.681 486 1HE2 GLN 63 1HE2 GLN 63 0.672 -13.287 -8.711 487 2HE2 GLN 63 2HE2 GLN 63 0.509 -14.332 -10.074 488 H GLY 64 H GLY 64 -2.611 -9.840 -12.106 489 1HA GLY 64 2HA GLY 64 0.248 -10.033 -12.837 490 2HA GLY 64 1HA GLY 64 -1.003 -10.816 -13.790 491 H ARG 65 H ARG 65 -2.890 -8.923 -14.056 492 HA ARG 65 HA ARG 65 -1.432 -6.820 -15.473 493 1HB ARG 65 2HB ARG 65 -3.541 -6.643 -16.958 494 2HB ARG 65 1HB ARG 65 -2.392 -7.934 -17.236 495 1HG ARG 65 2HG ARG 65 -4.778 -8.599 -17.439 496 2HG ARG 65 1HG ARG 65 -3.883 -9.540 -16.261 497 1HD ARG 65 2HD ARG 65 -4.936 -8.304 -14.458 498 2HD ARG 65 1HD ARG 65 -5.709 -7.221 -15.614 499 HE ARG 65 HE ARG 65 -7.043 -9.035 -16.370 500 1HH1 ARG 65 1HH1 ARG 65 -5.288 -9.863 -13.357 501 2HH1 ARG 65 2HH1 ARG 65 -6.476 -10.968 -12.863 502 1HH2 ARG 65 1HH2 ARG 65 -8.627 -10.583 -15.570 503 2HH2 ARG 65 2HH2 ARG 65 -8.355 -11.395 -14.096 504 H PHE 66 H PHE 66 -2.583 -4.772 -15.968 505 HA PHE 66 HA PHE 66 -3.576 -3.659 -13.461 506 1HB PHE 66 2HB PHE 66 -3.010 -2.274 -16.116 507 2HB PHE 66 1HB PHE 66 -3.227 -1.484 -14.565 508 HD1 PHE 66 1HD PHE 66 -1.370 -1.157 -13.080 509 HD2 PHE 66 2HD PHE 66 -0.955 -3.595 -16.561 510 HE1 PHE 66 1HE PHE 66 1.054 -1.156 -12.804 511 HE2 PHE 66 2HE PHE 66 1.476 -3.596 -16.266 512 HZ PHE 66 HZ PHE 66 2.488 -2.372 -14.383 513 H LEU 67 H LEU 67 -5.744 -3.770 -13.191 514 HA LEU 67 HA LEU 67 -7.505 -4.120 -15.504 515 1HB LEU 67 2HB LEU 67 -8.216 -3.788 -12.614 516 2HB LEU 67 1HB LEU 67 -9.374 -4.054 -13.892 517 HG LEU 67 HG LEU 67 -7.232 -5.991 -13.024 518 1HD1 LEU 67 1HD1 LEU 67 -9.150 -7.270 -12.181 519 2HD1 LEU 67 2HD1 LEU 67 -10.229 -5.978 -12.676 520 3HD1 LEU 67 3HD1 LEU 67 -9.054 -5.697 -11.412 521 1HD2 LEU 67 1HD2 LEU 67 -7.740 -6.177 -15.417 522 2HD2 LEU 67 2HD2 LEU 67 -9.462 -6.272 -15.035 523 3HD2 LEU 67 3HD2 LEU 67 -8.368 -7.552 -14.512 524 H HIS 68 H HIS 68 -7.117 -1.627 -13.044 525 HA HIS 68 HA HIS 68 -7.958 0.430 -14.837 526 1HB HIS 68 2HB HIS 68 -9.718 -0.386 -12.506 527 2HB HIS 68 1HB HIS 68 -9.766 1.220 -13.201 528 HD1 HIS 68 1HD HIS 68 -11.102 -2.269 -13.702 529 HD2 HIS 68 2HD HIS 68 -10.869 1.299 -15.849 530 HE1 HIS 68 1HE HIS 68 -12.704 -2.495 -15.557 531 HE2 HIS 68 2HE HIS 68 -12.574 -0.368 -16.848 532 H GLY 69 H GLY 69 -8.144 2.519 -13.401 533 1HA GLY 69 2HA GLY 69 -5.768 2.554 -11.782 534 2HA GLY 69 1HA GLY 69 -6.714 3.948 -12.267 535 H ASN 70 H ASN 70 -8.939 1.819 -11.151 536 HA ASN 70 HA ASN 70 -8.747 1.545 -8.452 537 1HB ASN 70 2HB ASN 70 -8.780 4.044 -8.303 538 2HB ASN 70 1HB ASN 70 -10.361 4.013 -9.094 539 1HD2 ASN 70 1HD2 ASN 70 -11.646 4.676 -7.404 540 2HD2 ASN 70 2HD2 ASN 70 -11.812 3.806 -5.949 541 H VAL 71 H VAL 71 -9.642 -0.261 -9.420 542 HA VAL 71 HA VAL 71 -12.524 -0.054 -9.701 543 HB VAL 71 HB VAL 71 -11.413 -1.149 -11.640 544 1HG1 VAL 71 1HG1 VAL 71 -10.468 -3.403 -11.429 545 2HG1 VAL 71 2HG1 VAL 71 -10.380 -3.148 -9.675 546 3HG1 VAL 71 3HG1 VAL 71 -9.498 -2.092 -10.795 547 1HG2 VAL 71 1HG2 VAL 71 -13.662 -1.816 -11.134 548 2HG2 VAL 71 2HG2 VAL 71 -13.040 -3.071 -10.039 549 3HG2 VAL 71 3HG2 VAL 71 -12.723 -3.172 -11.771 550 H THR 72 H THR 72 -13.819 -1.421 -8.340 551 HA THR 72 HA THR 72 -12.561 -1.644 -5.783 552 HB THR 72 HB THR 72 -14.830 -2.360 -5.009 553 HG1 THR 72 1HG THR 72 -15.732 -1.645 -7.599 554 1HG2 THR 72 1HG2 THR 72 -14.173 -0.011 -4.949 555 2HG2 THR 72 2HG2 THR 72 -15.880 -0.162 -5.366 556 3HG2 THR 72 3HG2 THR 72 -14.692 0.188 -6.623 557 H LEU 73 H LEU 73 -12.728 -3.557 -4.410 558 HA LEU 73 HA LEU 73 -11.597 -5.756 -5.714 559 1HB LEU 73 2HB LEU 73 -12.705 -5.546 -2.934 560 2HB LEU 73 1HB LEU 73 -11.666 -6.825 -3.510 561 HG LEU 73 HG LEU 73 -10.298 -5.521 -2.271 562 1HD1 LEU 73 1HD1 LEU 73 -9.897 -4.540 -5.055 563 2HD1 LEU 73 2HD1 LEU 73 -9.240 -6.002 -4.320 564 3HD1 LEU 73 3HD1 LEU 73 -8.716 -4.416 -3.752 565 1HD2 LEU 73 1HD2 LEU 73 -10.123 -3.092 -2.308 566 2HD2 LEU 73 2HD2 LEU 73 -11.750 -3.613 -1.873 567 3HD2 LEU 73 3HD2 LEU 73 -11.417 -3.004 -3.492 568 H GLY 74 H GLY 74 -14.867 -5.061 -4.574 569 1HA GLY 74 2HA GLY 74 -15.937 -7.652 -4.978 570 2HA GLY 74 1HA GLY 74 -16.851 -6.146 -4.959 571 H ALA 75 H ALA 75 -15.319 -4.966 -7.091 572 HA ALA 75 HA ALA 75 -16.771 -5.955 -9.326 573 1HB ALA 75 1HB ALA 75 -16.287 -3.572 -9.073 574 2HB ALA 75 2HB ALA 75 -15.616 -4.183 -10.589 575 3HB ALA 75 3HB ALA 75 -14.568 -3.911 -9.198 576 H LEU 76 H LEU 76 -13.798 -6.804 -7.914 577 HA LEU 76 HA LEU 76 -12.497 -7.780 -10.310 578 1HB LEU 76 2HB LEU 76 -11.966 -8.419 -7.437 579 2HB LEU 76 1HB LEU 76 -10.879 -8.715 -8.776 580 HG LEU 76 HG LEU 76 -11.656 -6.039 -7.621 581 1HD1 LEU 76 1HD1 LEU 76 -9.350 -5.977 -6.930 582 2HD1 LEU 76 2HD1 LEU 76 -9.106 -7.599 -7.581 583 3HD1 LEU 76 3HD1 LEU 76 -10.212 -7.343 -6.227 584 1HD2 LEU 76 1HD2 LEU 76 -9.764 -6.742 -9.823 585 2HD2 LEU 76 2HD2 LEU 76 -9.962 -5.148 -9.100 586 3HD2 LEU 76 3HD2 LEU 76 -11.287 -5.876 -10.012 587 H LYS 77 H LYS 77 -15.171 -8.738 -8.746 588 HA LYS 77 HA LYS 77 -16.474 -10.560 -8.750 589 1HB LYS 77 2HB LYS 77 -14.298 -11.866 -10.430 590 2HB LYS 77 1HB LYS 77 -15.817 -12.635 -10.045 591 1HG LYS 77 2HG LYS 77 -16.023 -11.820 -12.251 592 2HG LYS 77 1HG LYS 77 -16.955 -10.723 -11.241 593 1HD LYS 77 2HD LYS 77 -15.018 -9.167 -11.253 594 2HD LYS 77 1HD LYS 77 -14.181 -10.232 -12.367 595 1HE LYS 77 2HE LYS 77 -16.815 -8.816 -12.863 596 2HE LYS 77 1HE LYS 77 -15.264 -8.419 -13.588 597 1HZ LYS 77 1HZ LYS 77 -16.654 -9.691 -15.095 598 2HZ LYS 77 2HZ LYS 77 -16.780 -10.944 -14.003 599 3HZ LYS 77 3HZ LYS 77 -15.292 -10.582 -14.698 600 H LEU 78 H LEU 78 -14.474 -10.025 -6.712 601 HA LEU 78 HA LEU 78 -13.457 -12.548 -5.808 602 1HB LEU 78 2HB LEU 78 -13.786 -9.996 -4.258 603 2HB LEU 78 1HB LEU 78 -12.840 -11.376 -3.764 604 HG LEU 78 HG LEU 78 -12.307 -9.493 -6.008 605 1HD1 LEU 78 1HD1 LEU 78 -10.326 -8.906 -4.708 606 2HD1 LEU 78 2HD1 LEU 78 -10.777 -10.100 -3.499 607 3HD1 LEU 78 3HD1 LEU 78 -11.806 -8.696 -3.760 608 1HD2 LEU 78 1HD2 LEU 78 -11.665 -11.715 -6.725 609 2HD2 LEU 78 2HD2 LEU 78 -10.773 -11.962 -5.220 610 3HD2 LEU 78 3HD2 LEU 78 -10.232 -10.747 -6.382 611 HA PRO 79 HA PRO 79 -17.180 -13.557 -3.523 612 1HB PRO 79 2HB PRO 79 -15.741 -15.886 -2.543 613 2HB PRO 79 1HB PRO 79 -17.124 -15.844 -3.634 614 1HG PRO 79 2HG PRO 79 -14.601 -16.592 -4.392 615 2HG PRO 79 1HG PRO 79 -15.809 -15.922 -5.505 616 1HD PRO 79 2HD PRO 79 -13.463 -14.589 -4.216 617 2HD PRO 79 1HD PRO 79 -14.157 -14.371 -5.840 618 H PHE 80 H PHE 80 -17.601 -13.342 -1.309 619 HA PHE 80 HA PHE 80 -15.602 -11.976 0.205 620 1HB PHE 80 2HB PHE 80 -18.199 -13.154 1.223 621 2HB PHE 80 1HB PHE 80 -17.210 -11.938 2.017 622 HD1 PHE 80 1HD PHE 80 -20.089 -11.673 1.554 623 HD2 PHE 80 2HD PHE 80 -16.809 -10.555 -0.903 624 HE1 PHE 80 1HE PHE 80 -21.478 -9.936 0.496 625 HE2 PHE 80 2HE PHE 80 -18.186 -8.819 -1.965 626 HZ PHE 80 HZ PHE 80 -20.522 -8.505 -1.264 627 H GLY 81 H GLY 81 -14.459 -12.701 2.003 628 1HA GLY 81 2HA GLY 81 -13.786 -14.239 3.623 629 2HA GLY 81 1HA GLY 81 -14.816 -15.446 2.897 630 H LYS 82 H LYS 82 -13.051 -14.066 0.450 631 HA LYS 82 HA LYS 82 -11.195 -16.339 0.517 632 1HB LYS 82 2HB LYS 82 -11.869 -14.501 -1.786 633 2HB LYS 82 1HB LYS 82 -10.927 -15.980 -1.865 634 1HG LYS 82 2HG LYS 82 -13.859 -15.773 -1.213 635 2HG LYS 82 1HG LYS 82 -13.162 -16.307 -2.742 636 1HD LYS 82 2HD LYS 82 -12.146 -18.220 -1.602 637 2HD LYS 82 1HD LYS 82 -12.816 -17.648 -0.069 638 1HE LYS 82 2HE LYS 82 -15.074 -17.886 -0.959 639 2HE LYS 82 1HE LYS 82 -14.417 -18.455 -2.490 640 1HZ LYS 82 1HZ LYS 82 -13.491 -20.367 -1.326 641 2HZ LYS 82 2HZ LYS 82 -15.167 -20.251 -1.087 642 3HZ LYS 82 3HZ LYS 82 -14.124 -19.790 0.137 643 H THR 83 H THR 83 -8.979 -16.024 0.323 644 HA THR 83 HA THR 83 -8.042 -13.362 0.934 645 HB THR 83 HB THR 83 -6.467 -15.937 0.599 646 HG1 THR 83 1HG THR 83 -7.194 -14.609 3.000 647 1HG2 THR 83 1HG2 THR 83 -4.700 -14.704 1.802 648 2HG2 THR 83 2HG2 THR 83 -5.735 -13.282 1.860 649 3HG2 THR 83 3HG2 THR 83 -5.140 -13.871 0.311 650 H THR 84 H THR 84 -7.578 -12.039 -0.569 651 HA THR 84 HA THR 84 -6.841 -13.058 -3.232 652 HB THR 84 HB THR 84 -8.199 -10.462 -2.493 653 HG1 THR 84 1HG THR 84 -9.568 -12.214 -2.281 654 1HG2 THR 84 1HG2 THR 84 -6.802 -10.255 -4.527 655 2HG2 THR 84 2HG2 THR 84 -8.517 -10.181 -4.923 656 3HG2 THR 84 3HG2 THR 84 -7.607 -11.658 -5.224 657 H VAL 85 H VAL 85 -4.959 -12.379 -4.120 658 HA VAL 85 HA VAL 85 -3.432 -10.371 -2.634 659 HB VAL 85 HB VAL 85 -2.333 -12.552 -2.568 660 1HG1 VAL 85 1HG1 VAL 85 -3.262 -13.579 -4.542 661 2HG1 VAL 85 2HG1 VAL 85 -1.498 -13.660 -4.592 662 3HG1 VAL 85 3HG1 VAL 85 -2.359 -12.472 -5.574 663 1HG2 VAL 85 1HG2 VAL 85 -0.146 -11.962 -3.526 664 2HG2 VAL 85 2HG2 VAL 85 -0.880 -10.616 -2.653 665 3HG2 VAL 85 3HG2 VAL 85 -0.912 -10.648 -4.417 666 H MET 86 H MET 86 -2.775 -8.546 -3.652 667 HA MET 86 HA MET 86 -3.024 -8.426 -6.567 668 1HB MET 86 2HB MET 86 -4.160 -6.396 -4.642 669 2HB MET 86 1HB MET 86 -4.007 -6.169 -6.375 670 1HG MET 86 2HG MET 86 -5.533 -8.030 -6.749 671 2HG MET 86 1HG MET 86 -5.680 -8.254 -5.008 672 1HE MET 86 1HE MET 86 -5.506 -4.814 -7.032 673 2HE MET 86 2HE MET 86 -7.238 -4.543 -7.268 674 3HE MET 86 3HE MET 86 -6.449 -5.902 -8.055 675 H HIS 87 H HIS 87 -1.813 -6.769 -7.517 676 HA HIS 87 HA HIS 87 0.397 -5.849 -5.791 677 1HB HIS 87 2HB HIS 87 0.412 -6.221 -8.823 678 2HB HIS 87 1HB HIS 87 1.680 -5.491 -7.832 679 HD1 HIS 87 1HD HIS 87 3.587 -7.035 -7.442 680 HD2 HIS 87 2HD HIS 87 0.016 -9.181 -7.840 681 HE1 HIS 87 1HE HIS 87 4.193 -9.455 -7.358 682 HE2 HIS 87 2HE HIS 87 2.076 -10.675 -7.871 683 H LEU 88 H LEU 88 0.730 -3.630 -5.643 684 HA LEU 88 HA LEU 88 -1.115 -2.032 -7.270 685 1HB LEU 88 2HB LEU 88 -0.378 -1.621 -4.369 686 2HB LEU 88 1HB LEU 88 -1.283 -0.479 -5.330 687 HG LEU 88 HG LEU 88 -2.803 -1.635 -3.892 688 1HD1 LEU 88 1HD1 LEU 88 -3.675 -1.116 -6.052 689 2HD1 LEU 88 2HD1 LEU 88 -4.377 -2.612 -5.438 690 3HD1 LEU 88 3HD1 LEU 88 -3.129 -2.671 -6.680 691 1HD2 LEU 88 1HD2 LEU 88 -3.138 -4.068 -3.963 692 2HD2 LEU 88 2HD2 LEU 88 -1.523 -3.633 -3.399 693 3HD2 LEU 88 3HD2 LEU 88 -1.755 -4.212 -5.047 694 H VAL 89 H VAL 89 -0.290 -0.196 -8.199 695 HA VAL 89 HA VAL 89 2.432 0.444 -7.413 696 HB VAL 89 HB VAL 89 3.083 0.926 -9.719 697 1HG1 VAL 89 1HG1 VAL 89 3.540 -1.295 -8.910 698 2HG1 VAL 89 2HG1 VAL 89 3.150 -1.327 -10.639 699 3HG1 VAL 89 3HG1 VAL 89 1.948 -1.831 -9.458 700 1HG2 VAL 89 1HG2 VAL 89 0.373 -0.119 -10.520 701 2HG2 VAL 89 2HG2 VAL 89 1.692 0.325 -11.620 702 3HG2 VAL 89 3HG2 VAL 89 0.928 1.551 -10.613 703 H ALA 90 H ALA 90 2.870 2.477 -7.093 704 HA ALA 90 HA ALA 90 1.078 4.537 -8.095 705 1HB ALA 90 1HB ALA 90 1.218 5.695 -5.933 706 2HB ALA 90 2HB ALA 90 2.131 4.342 -5.266 707 3HB ALA 90 3HB ALA 90 0.450 4.116 -5.759 708 H ARG 91 H ARG 91 2.199 6.188 -8.957 709 HA ARG 91 HA ARG 91 5.102 6.099 -8.767 710 1HB ARG 91 2HB ARG 91 4.033 6.512 -10.981 711 2HB ARG 91 1HB ARG 91 3.300 7.969 -10.341 712 1HG ARG 91 2HG ARG 91 5.586 8.889 -9.959 713 2HG ARG 91 1HG ARG 91 6.242 7.453 -10.732 714 1HD ARG 91 2HD ARG 91 5.050 7.999 -12.787 715 2HD ARG 91 1HD ARG 91 4.365 9.431 -12.021 716 HE ARG 91 HE ARG 91 7.266 9.188 -12.122 717 1HH1 ARG 91 1HH1 ARG 91 4.373 10.733 -13.401 718 2HH1 ARG 91 2HH1 ARG 91 5.185 11.973 -14.210 719 1HH2 ARG 91 1HH2 ARG 91 8.421 10.874 -13.268 720 2HH2 ARG 91 2HH2 ARG 91 7.569 12.054 -14.142 721 H GLU 92 H GLU 92 6.300 7.527 -7.608 722 HA GLU 92 HA GLU 92 6.904 9.057 -6.097 723 1HB GLU 92 2HB GLU 92 4.336 10.504 -6.764 724 2HB GLU 92 1HB GLU 92 5.677 11.166 -5.838 725 1HG GLU 92 2HG GLU 92 5.636 10.422 -8.748 726 2HG GLU 92 1HG GLU 92 5.879 12.010 -8.032 727 H THR 93 H THR 93 3.652 8.173 -5.807 728 HA THR 93 HA THR 93 2.455 7.208 -4.202 729 HB THR 93 HB THR 93 5.028 6.965 -2.609 730 HG1 THR 93 1HG THR 93 5.311 5.741 -4.384 731 1HG2 THR 93 1HG2 THR 93 2.379 5.505 -2.340 732 2HG2 THR 93 2HG2 THR 93 3.010 6.697 -1.205 733 3HG2 THR 93 3HG2 THR 93 3.842 5.157 -1.417 734 H LEU 94 H LEU 94 1.319 9.033 -4.052 735 HA LEU 94 HA LEU 94 1.770 11.017 -1.998 736 1HB LEU 94 2HB LEU 94 -0.676 10.451 -3.708 737 2HB LEU 94 1HB LEU 94 -0.497 11.824 -2.651 738 HG LEU 94 HG LEU 94 -0.250 12.522 -4.916 739 1HD1 LEU 94 1HD1 LEU 94 1.946 13.544 -4.909 740 2HD1 LEU 94 2HD1 LEU 94 2.395 12.515 -3.549 741 3HD1 LEU 94 3HD1 LEU 94 1.103 13.702 -3.369 742 1HD2 LEU 94 1HD2 LEU 94 1.538 11.713 -6.391 743 2HD2 LEU 94 2HD2 LEU 94 0.405 10.423 -5.955 744 3HD2 LEU 94 3HD2 LEU 94 1.981 10.514 -5.179 745 HA PRO 95 HA PRO 95 -0.247 8.688 1.285 746 1HB PRO 95 2HB PRO 95 -1.427 11.309 2.053 747 2HB PRO 95 1HB PRO 95 -0.494 10.175 3.038 748 1HG PRO 95 2HG PRO 95 0.596 12.446 2.158 749 2HG PRO 95 1HG PRO 95 1.536 10.948 2.248 750 1HD PRO 95 2HD PRO 95 0.382 12.307 -0.159 751 2HD PRO 95 1HD PRO 95 1.888 11.390 0.029 752 H GLU 96 H GLU 96 -2.287 11.372 0.090 753 HA GLU 96 HA GLU 96 -4.687 9.772 0.162 754 1HB GLU 96 2HB GLU 96 -4.629 12.270 0.502 755 2HB GLU 96 1HB GLU 96 -4.138 12.450 -1.169 756 1HG GLU 96 2HG GLU 96 -6.270 11.414 -1.866 757 2HG GLU 96 1HG GLU 96 -6.749 11.358 -0.168 758 HA PRO 97 HA PRO 97 -4.308 7.781 -3.877 759 1HB PRO 97 2HB PRO 97 -6.911 8.170 -4.793 760 2HB PRO 97 1HB PRO 97 -6.402 6.828 -3.761 761 1HG PRO 97 2HG PRO 97 -7.678 9.430 -2.993 762 2HG PRO 97 1HG PRO 97 -8.013 7.802 -2.378 763 1HD PRO 97 2HD PRO 97 -6.552 9.409 -0.909 764 2HD PRO 97 1HD PRO 97 -6.066 7.704 -1.130 765 H ASN 98 H ASN 98 -6.718 10.351 -4.299 766 HA ASN 98 HA ASN 98 -5.226 12.413 -5.123 767 1HB ASN 98 2HB ASN 98 -4.634 11.103 -7.197 768 2HB ASN 98 1HB ASN 98 -6.352 10.922 -7.546 769 1HD2 ASN 98 1HD2 ASN 98 -7.501 12.691 -8.320 770 2HD2 ASN 98 2HD2 ASN 98 -6.764 14.147 -8.871 771 H SER 99 H SER 99 -6.757 13.078 -3.623 772 HA SER 99 HA SER 99 -8.490 14.074 -2.928 773 1HB SER 99 2HB SER 99 -9.182 14.357 -5.838 774 2HB SER 99 1HB SER 99 -9.945 15.271 -4.529 775 HG SER 99 HG SER 99 -7.387 15.450 -4.140 776 H GLN 100 H GLN 100 -9.753 11.968 -5.450 777 HA GLN 100 HA GLN 100 -12.218 11.690 -3.861 778 1HB GLN 100 2HB GLN 100 -12.259 12.214 -6.379 779 2HB GLN 100 1HB GLN 100 -11.750 10.562 -6.632 780 1HG GLN 100 2HG GLN 100 -14.312 11.352 -5.234 781 2HG GLN 100 1HG GLN 100 -14.193 10.972 -6.937 782 1HE2 GLN 100 1HE2 GLN 100 -15.726 9.758 -4.783 783 2HE2 GLN 100 2HE2 GLN 100 -15.323 8.086 -4.770 784 H GLY 101 H GLY 101 -9.828 9.697 -5.485 785 1HA GLY 101 2HA GLY 101 -8.975 7.834 -4.024 786 2HA GLY 101 1HA GLY 101 -10.680 7.391 -3.862 787 H GLN 102 H GLN 102 -11.313 8.166 -6.500 788 HA GLN 102 HA GLN 102 -10.455 5.769 -7.876 789 1HB GLN 102 2HB GLN 102 -12.841 6.505 -7.745 790 2HB GLN 102 1HB GLN 102 -12.409 7.913 -8.691 791 1HG GLN 102 2HG GLN 102 -11.728 6.385 -10.529 792 2HG GLN 102 1HG GLN 102 -12.339 5.037 -9.565 793 1HE2 GLN 102 1HE2 GLN 102 -13.954 4.517 -11.045 794 2HE2 GLN 102 2HE2 GLN 102 -15.331 5.516 -11.276 795 H ARG 103 H ARG 103 -9.391 5.770 -9.793 796 HA ARG 103 HA ARG 103 -7.442 7.507 -10.619 797 1HB ARG 103 2HB ARG 103 -7.767 5.284 -11.466 798 2HB ARG 103 1HB ARG 103 -9.300 5.731 -12.168 799 1HG ARG 103 2HG ARG 103 -7.692 5.537 -13.928 800 2HG ARG 103 1HG ARG 103 -8.118 7.233 -13.731 801 1HD ARG 103 2HD ARG 103 -6.053 7.592 -12.484 802 2HD ARG 103 1HD ARG 103 -5.636 5.884 -12.685 803 HE ARG 103 HE ARG 103 -6.200 7.381 -15.081 804 1HH1 ARG 103 1HH1 ARG 103 -3.737 5.972 -12.980 805 2HH1 ARG 103 2HH1 ARG 103 -2.459 6.196 -14.086 806 1HH2 ARG 103 1HH2 ARG 103 -4.449 7.627 -16.636 807 2HH2 ARG 103 2HH2 ARG 103 -2.875 7.149 -16.208 808 H ASN 104 H ASN 104 -10.662 7.175 -12.028 809 HA ASN 104 HA ASN 104 -11.391 9.837 -12.137 810 1HB ASN 104 2HB ASN 104 -9.612 10.018 -13.885 811 2HB ASN 104 1HB ASN 104 -10.331 8.661 -14.744 812 1HD2 ASN 104 1HD2 ASN 104 -10.655 9.874 -16.588 813 2HD2 ASN 104 2HD2 ASN 104 -11.882 11.080 -16.707 814 H ARG 105 H ARG 105 -13.449 9.928 -13.253 815 HA ARG 105 HA ARG 105 -15.036 7.615 -12.876 816 1HB ARG 105 2HB ARG 105 -15.618 10.097 -14.491 817 2HB ARG 105 1HB ARG 105 -16.798 8.911 -13.955 818 1HG ARG 105 2HG ARG 105 -15.139 10.638 -12.132 819 2HG ARG 105 1HG ARG 105 -16.789 10.993 -12.612 820 1HD ARG 105 2HD ARG 105 -17.500 8.855 -11.578 821 2HD ARG 105 1HD ARG 105 -15.841 8.595 -11.043 822 HE ARG 105 HE ARG 105 -16.681 11.108 -10.186 823 1HH1 ARG 105 1HH1 ARG 105 -17.359 7.697 -9.489 824 2HH1 ARG 105 2HH1 ARG 105 -17.828 7.962 -7.883 825 1HH2 ARG 105 1HH2 ARG 105 -17.317 11.475 -7.960 826 2HH2 ARG 105 2HH2 ARG 105 -17.799 10.151 -6.987 827 H GLU 106 H GLU 106 -13.360 9.059 -15.554 828 HA GLU 106 HA GLU 106 -12.650 8.372 -17.522 829 1HB GLU 106 2HB GLU 106 -12.351 6.090 -16.550 830 2HB GLU 106 1HB GLU 106 -14.014 5.710 -16.957 831 1HG GLU 106 2HG GLU 106 -12.412 4.730 -18.534 832 2HG GLU 106 1HG GLU 106 -13.505 5.872 -19.317 833 H LYS 107 H LYS 107 -13.384 8.228 -19.698 834 HA LYS 107 HA LYS 107 -15.708 9.731 -20.119 835 1HB LYS 107 2HB LYS 107 -13.825 9.603 -21.707 836 2HB LYS 107 1HB LYS 107 -14.276 7.951 -22.094 837 1HG LYS 107 2HG LYS 107 -16.355 8.679 -23.018 838 2HG LYS 107 1HG LYS 107 -16.035 10.344 -22.532 839 1HD LYS 107 2HD LYS 107 -14.024 10.314 -23.973 840 2HD LYS 107 1HD LYS 107 -14.475 8.693 -24.506 841 1HE LYS 107 2HE LYS 107 -16.566 9.552 -25.382 842 2HE LYS 107 1HE LYS 107 -16.142 11.172 -24.823 843 1HZ LYS 107 1HZ LYS 107 -14.680 9.584 -26.852 844 2HZ LYS 107 2HZ LYS 107 -14.204 11.098 -26.283 845 3HZ LYS 107 3HZ LYS 107 -15.642 10.943 -27.143 846 H THR 108 H THR 108 -15.150 6.285 -20.699 847 HA THR 108 HA THR 108 -18.005 5.864 -20.685 848 HB THR 108 HB THR 108 -17.366 3.435 -20.974 849 HG1 THR 108 1HG THR 108 -15.313 3.796 -19.960 850 1HG2 THR 108 1HG2 THR 108 -16.135 5.344 -22.980 851 2HG2 THR 108 2HG2 THR 108 -17.818 4.814 -22.956 852 3HG2 THR 108 3HG2 THR 108 -16.535 3.654 -23.289 853 H GLY 109 H GLY 109 -18.532 6.455 -18.589 854 1HA GLY 109 2HA GLY 109 -18.663 4.707 -16.589 855 2HA GLY 109 1HA GLY 109 -17.021 5.309 -16.404 856 H GLU 110 H GLU 110 -17.643 8.033 -17.237 857 HA GLU 110 HA GLU 110 -18.554 9.070 -14.786 858 1HB GLU 110 2HB GLU 110 -18.616 11.302 -15.944 859 2HB GLU 110 1HB GLU 110 -17.085 10.463 -16.079 860 1HG GLU 110 2HG GLU 110 -17.628 9.823 -18.366 861 2HG GLU 110 1HG GLU 110 -19.202 10.612 -18.216 862 H SER 111 H SER 111 -20.370 8.591 -14.027 863 HA SER 111 HA SER 111 -22.520 8.233 -13.718 864 1HB SER 111 2HB SER 111 -22.779 10.662 -14.291 865 2HB SER 111 1HB SER 111 -22.945 10.219 -15.988 866 HG SER 111 HG SER 111 -24.939 9.821 -15.657 867 H ASN 112 H ASN 112 -22.455 6.126 -14.246 868 HA ASN 112 HA ASN 112 -22.199 5.004 -16.769 869 1HB ASN 112 2HB ASN 112 -23.534 3.844 -14.316 870 2HB ASN 112 1HB ASN 112 -23.252 2.924 -15.784 871 1HD2 ASN 112 1HD2 ASN 112 -22.239 2.478 -13.119 872 2HD2 ASN 112 2HD2 ASN 112 -20.524 2.499 -13.210 873 H CYS 113 H CYS 113 -23.338 5.371 -18.429 874 HA CYS 113 HA CYS 113 -25.953 6.354 -18.396 875 1HB CYS 113 2HB CYS 113 -25.755 6.051 -20.881 876 2HB CYS 113 1HB CYS 113 -24.490 7.026 -20.139 877 HG CYS 113 HG CYS 113 -22.921 5.750 -21.782 878 H CYS 114 H CYS 114 -27.849 5.367 -18.553 879 HA CYS 114 HA CYS 114 -27.880 2.513 -18.624 880 1HB CYS 114 2HB CYS 114 -30.329 2.809 -18.236 881 2HB CYS 114 1HB CYS 114 -29.324 3.607 -17.039 882 HG CYS 114 HG CYS 114 -30.600 5.242 -19.699 883 H VAL 115 H VAL 115 -27.165 2.080 -20.645 884 HA VAL 115 HA VAL 115 -28.979 2.814 -22.815 885 HB VAL 115 HB VAL 115 -26.788 3.837 -23.181 886 1HG1 VAL 115 1HG1 VAL 115 -25.635 1.061 -23.035 887 2HG1 VAL 115 2HG1 VAL 115 -25.380 2.373 -21.881 888 3HG1 VAL 115 3HG1 VAL 115 -24.756 2.510 -23.523 889 1HG2 VAL 115 1HG2 VAL 115 -27.254 1.508 -25.043 890 2HG2 VAL 115 2HG2 VAL 115 -26.246 2.907 -25.401 891 3HG2 VAL 115 3HG2 VAL 115 -27.985 3.109 -25.169 892 H ILE 116 H ILE 116 -29.997 1.250 -23.826 893 HA ILE 116 HA ILE 116 -28.885 -1.341 -24.103 894 HB ILE 116 HB ILE 116 -29.690 -1.622 -21.841 895 1HG1 ILE 116 2HG1 ILE 116 -31.616 -2.974 -23.737 896 2HG1 ILE 116 1HG1 ILE 116 -29.981 -3.526 -23.414 897 1HG2 ILE 116 1HG2 ILE 116 -32.067 -1.363 -21.219 898 2HG2 ILE 116 2HG2 ILE 116 -32.379 -0.676 -22.813 899 3HG2 ILE 116 3HG2 ILE 116 -31.304 0.158 -21.693 900 1HD1 ILE 116 1HD1 ILE 116 -32.228 -3.357 -21.420 901 2HD1 ILE 116 2HD1 ILE 116 -30.592 -3.929 -21.081 902 3HD1 ILE 116 3HD1 ILE 116 -31.630 -4.825 -22.189 903 H LEU 117 H LEU 117 -29.231 -1.622 -26.164 904 HA LEU 117 HA LEU 117 -31.860 -1.870 -27.189 905 1HB LEU 117 2HB LEU 117 -31.394 0.633 -27.356 906 2HB LEU 117 1HB LEU 117 -30.044 0.270 -28.391 907 HG LEU 117 HG LEU 117 -31.986 1.113 -29.647 908 1HD1 LEU 117 1HD1 LEU 117 -32.195 -0.594 -31.370 909 2HD1 LEU 117 2HD1 LEU 117 -31.447 -1.775 -30.298 910 3HD1 LEU 117 3HD1 LEU 117 -30.523 -0.378 -30.857 911 1HD2 LEU 117 1HD2 LEU 117 -33.428 -1.335 -28.642 912 2HD2 LEU 117 2HD2 LEU 117 -34.038 -0.199 -29.850 913 3HD2 LEU 117 3HD2 LEU 117 -33.759 0.338 -28.196 Start of MODEL 10 1 H SER 2 H SER 2 -5.478 -13.173 15.596 2 HA SER 2 HA SER 2 -5.489 -13.734 12.743 3 1HB SER 2 2HB SER 2 -4.974 -15.609 15.057 4 2HB SER 2 1HB SER 2 -4.650 -15.894 13.344 5 HG SER 2 HG SER 2 -3.178 -14.107 13.447 6 H SER 3 H SER 3 -7.455 -14.092 11.971 7 HA SER 3 HA SER 3 -9.276 -15.834 13.367 8 1HB SER 3 2HB SER 3 -10.040 -12.960 12.757 9 2HB SER 3 1HB SER 3 -11.143 -14.206 13.349 10 HG SER 3 HG SER 3 -8.993 -14.144 14.882 11 H ASN 4 H ASN 4 -11.369 -15.949 11.995 12 HA ASN 4 HA ASN 4 -10.553 -16.596 9.315 13 1HB ASN 4 2HB ASN 4 -12.130 -18.006 10.707 14 2HB ASN 4 1HB ASN 4 -13.307 -16.709 10.598 15 1HD2 ASN 4 1HD2 ASN 4 -11.612 -19.183 8.876 16 2HD2 ASN 4 2HD2 ASN 4 -12.673 -19.266 7.515 17 H VAL 5 H VAL 5 -11.721 -15.681 7.405 18 HA VAL 5 HA VAL 5 -11.862 -12.838 7.746 19 HB VAL 5 HB VAL 5 -12.374 -14.447 5.241 20 1HG1 VAL 5 1HG1 VAL 5 -13.144 -12.121 5.145 21 2HG1 VAL 5 2HG1 VAL 5 -11.782 -12.397 4.056 22 3HG1 VAL 5 3HG1 VAL 5 -11.530 -11.578 5.599 23 1HG2 VAL 5 1HG2 VAL 5 -10.186 -15.006 6.119 24 2HG2 VAL 5 2HG2 VAL 5 -9.757 -13.288 6.207 25 3HG2 VAL 5 3HG2 VAL 5 -10.052 -14.057 4.642 26 HA PRO 6 HA PRO 6 -16.278 -12.979 8.495 27 1HB PRO 6 2HB PRO 6 -16.376 -10.136 7.994 28 2HB PRO 6 1HB PRO 6 -16.604 -10.994 9.511 29 1HG PRO 6 2HG PRO 6 -14.445 -9.419 8.812 30 2HG PRO 6 1HG PRO 6 -14.481 -10.571 10.162 31 1HD PRO 6 2HD PRO 6 -13.115 -10.737 7.565 32 2HD PRO 6 1HD PRO 6 -12.836 -11.657 9.054 33 H ALA 7 H ALA 7 -18.101 -13.081 7.210 34 HA ALA 7 HA ALA 7 -17.719 -12.634 4.431 35 1HB ALA 7 1HB ALA 7 -19.921 -13.625 4.148 36 2HB ALA 7 2HB ALA 7 -20.168 -13.598 5.898 37 3HB ALA 7 3HB ALA 7 -18.914 -14.629 5.196 38 H ASP 8 H ASP 8 -17.330 -10.499 4.824 39 HA ASP 8 HA ASP 8 -19.450 -8.721 4.065 40 1HB ASP 8 2HB ASP 8 -19.696 -8.790 6.614 41 2HB ASP 8 1HB ASP 8 -18.045 -8.207 6.723 42 H MET 9 H MET 9 -16.315 -9.445 5.328 43 HA MET 9 HA MET 9 -15.037 -7.190 3.967 44 1HB MET 9 2HB MET 9 -13.897 -9.161 5.956 45 2HB MET 9 1HB MET 9 -13.135 -7.689 5.390 46 1HG MET 9 2HG MET 9 -15.651 -7.837 7.006 47 2HG MET 9 1HG MET 9 -14.053 -7.539 7.686 48 1HE MET 9 1HE MET 9 -13.239 -3.997 6.229 49 2HE MET 9 2HE MET 9 -12.770 -5.556 5.561 50 3HE MET 9 3HE MET 9 -12.693 -5.288 7.306 51 H ILE 10 H ILE 10 -13.219 -7.663 2.689 52 HA ILE 10 HA ILE 10 -12.874 -10.456 1.956 53 HB ILE 10 HB ILE 10 -12.051 -9.620 -0.312 54 1HG1 ILE 10 2HG1 ILE 10 -13.111 -7.364 -1.011 55 2HG1 ILE 10 1HG1 ILE 10 -13.110 -7.037 0.718 56 1HG2 ILE 10 1HG2 ILE 10 -14.906 -9.077 0.333 57 2HG2 ILE 10 2HG2 ILE 10 -14.189 -10.594 -0.288 58 3HG2 ILE 10 3HG2 ILE 10 -14.202 -9.116 -1.277 59 1HD1 ILE 10 1HD1 ILE 10 -10.666 -7.300 0.724 60 2HD1 ILE 10 2HD1 ILE 10 -11.233 -6.054 -0.424 61 3HD1 ILE 10 3HD1 ILE 10 -10.773 -7.649 -1.015 62 H ASN 11 H ASN 11 -10.684 -11.219 1.875 63 HA ASN 11 HA ASN 11 -8.969 -9.425 3.419 64 1HB ASN 11 2HB ASN 11 -9.271 -11.909 4.057 65 2HB ASN 11 1HB ASN 11 -8.320 -12.268 2.652 66 1HD2 ASN 11 1HD2 ASN 11 -6.546 -13.134 3.827 67 2HD2 ASN 11 2HD2 ASN 11 -5.515 -12.127 4.721 68 H LEU 12 H LEU 12 -7.345 -8.393 2.504 69 HA LEU 12 HA LEU 12 -6.727 -9.187 -0.231 70 1HB LEU 12 2HB LEU 12 -8.213 -7.374 -0.366 71 2HB LEU 12 1HB LEU 12 -7.362 -6.486 0.870 72 HG LEU 12 HG LEU 12 -5.483 -6.168 -0.656 73 1HD1 LEU 12 1HD1 LEU 12 -5.731 -6.637 -3.018 74 2HD1 LEU 12 2HD1 LEU 12 -7.163 -7.634 -2.664 75 3HD1 LEU 12 3HD1 LEU 12 -5.565 -8.042 -1.985 76 1HD2 LEU 12 1HD2 LEU 12 -7.166 -4.480 -0.499 77 2HD2 LEU 12 2HD2 LEU 12 -8.154 -5.318 -1.691 78 3HD2 LEU 12 3HD2 LEU 12 -6.613 -4.603 -2.174 79 H ARG 13 H ARG 13 -4.698 -9.325 -0.712 80 HA ARG 13 HA ARG 13 -2.771 -8.175 1.154 81 1HB ARG 13 2HB ARG 13 -2.510 -10.610 0.844 82 2HB ARG 13 1HB ARG 13 -2.392 -10.358 -0.888 83 1HG ARG 13 2HG ARG 13 -0.324 -9.288 -0.719 84 2HG ARG 13 1HG ARG 13 -0.488 -9.069 1.022 85 1HD ARG 13 2HD ARG 13 1.086 -10.837 0.484 86 2HD ARG 13 1HD ARG 13 -0.340 -11.399 1.364 87 HE ARG 13 HE ARG 13 -1.141 -12.064 -0.978 88 1HH1 ARG 13 1HH1 ARG 13 2.253 -12.238 0.073 89 2HH1 ARG 13 2HH1 ARG 13 2.629 -13.571 -0.889 90 1HH2 ARG 13 1HH2 ARG 13 -0.625 -13.926 -2.274 91 2HH2 ARG 13 2HH2 ARG 13 0.955 -14.566 -2.263 92 H LEU 14 H LEU 14 -1.908 -6.564 0.617 93 HA LEU 14 HA LEU 14 -1.953 -5.498 -2.136 94 1HB LEU 14 2HB LEU 14 -1.386 -4.029 0.498 95 2HB LEU 14 1HB LEU 14 -1.362 -3.282 -1.074 96 HG LEU 14 HG LEU 14 -3.273 -2.697 0.124 97 1HD1 LEU 14 1HD1 LEU 14 -3.508 -2.787 -2.248 98 2HD1 LEU 14 2HD1 LEU 14 -5.025 -3.262 -1.492 99 3HD1 LEU 14 3HD1 LEU 14 -3.963 -4.492 -2.184 100 1HD2 LEU 14 1HD2 LEU 14 -3.932 -5.609 0.206 101 2HD2 LEU 14 2HD2 LEU 14 -5.099 -4.333 0.523 102 3HD2 LEU 14 3HD2 LEU 14 -3.715 -4.554 1.606 103 H ILE 15 H ILE 15 -0.139 -5.656 -3.321 104 HA ILE 15 HA ILE 15 2.399 -5.921 -1.867 105 HB ILE 15 HB ILE 15 2.083 -6.280 -4.841 106 1HG1 ILE 15 2HG1 ILE 15 0.506 -7.865 -3.730 107 2HG1 ILE 15 1HG1 ILE 15 1.813 -8.671 -4.586 108 1HG2 ILE 15 1HG2 ILE 15 4.311 -5.993 -4.034 109 2HG2 ILE 15 2HG2 ILE 15 4.120 -7.724 -4.425 110 3HG2 ILE 15 3HG2 ILE 15 3.989 -7.138 -2.754 111 1HD1 ILE 15 1HD1 ILE 15 1.602 -8.181 -1.666 112 2HD1 ILE 15 2HD1 ILE 15 2.935 -8.996 -2.535 113 3HD1 ILE 15 3HD1 ILE 15 1.306 -9.714 -2.523 114 H LEU 16 H LEU 16 3.613 -4.185 -1.829 115 HA LEU 16 HA LEU 16 2.909 -1.975 -3.638 116 1HB LEU 16 2HB LEU 16 4.757 -1.912 -1.250 117 2HB LEU 16 1HB LEU 16 4.404 -0.544 -2.257 118 HG LEU 16 HG LEU 16 3.145 -0.278 -0.270 119 1HD1 LEU 16 1HD1 LEU 16 0.854 -0.180 -1.043 120 2HD1 LEU 16 2HD1 LEU 16 1.285 -1.177 -2.428 121 3HD1 LEU 16 3HD1 LEU 16 2.005 0.422 -2.237 122 1HD2 LEU 16 1HD2 LEU 16 1.992 -3.039 -0.695 123 2HD2 LEU 16 2HD2 LEU 16 1.492 -1.907 0.561 124 3HD2 LEU 16 3HD2 LEU 16 3.122 -2.571 0.575 125 H VAL 17 H VAL 17 4.573 -0.693 -4.666 126 HA VAL 17 HA VAL 17 6.020 -2.151 -6.486 127 HB VAL 17 HB VAL 17 7.132 -0.056 -7.162 128 1HG1 VAL 17 1HG1 VAL 17 4.911 -0.590 -7.966 129 2HG1 VAL 17 2HG1 VAL 17 5.092 1.152 -7.731 130 3HG1 VAL 17 3HG1 VAL 17 4.216 0.184 -6.540 131 1HG2 VAL 17 1HG2 VAL 17 7.479 0.958 -4.963 132 2HG2 VAL 17 2HG2 VAL 17 5.736 1.137 -4.761 133 3HG2 VAL 17 3HG2 VAL 17 6.578 2.047 -6.018 134 H SER 18 H SER 18 7.202 -1.017 -3.415 135 HA SER 18 HA SER 18 9.963 -1.552 -4.113 136 1HB SER 18 2HB SER 18 8.729 -0.807 -1.457 137 2HB SER 18 1HB SER 18 10.448 -0.779 -1.856 138 HG SER 18 HG SER 18 10.195 1.043 -2.764 139 H GLY 19 H GLY 19 7.514 -3.593 -3.566 140 1HA GLY 19 2HA GLY 19 7.574 -5.836 -3.169 141 2HA GLY 19 1HA GLY 19 9.239 -5.719 -2.628 142 H LYS 20 H LYS 20 6.811 -3.635 -1.384 143 HA LYS 20 HA LYS 20 7.175 -4.722 1.301 144 1HB LYS 20 2HB LYS 20 5.274 -2.512 0.445 145 2HB LYS 20 1HB LYS 20 5.894 -2.832 2.034 146 1HG LYS 20 2HG LYS 20 7.580 -1.872 -0.252 147 2HG LYS 20 1HG LYS 20 6.858 -0.820 0.964 148 1HD LYS 20 2HD LYS 20 8.155 -2.055 2.698 149 2HD LYS 20 1HD LYS 20 8.902 -2.991 1.392 150 1HE LYS 20 2HE LYS 20 9.883 -1.027 0.449 151 2HE LYS 20 1HE LYS 20 9.023 0.014 1.576 152 1HZ LYS 20 1HZ LYS 20 11.315 -0.302 2.203 153 2HZ LYS 20 2HZ LYS 20 11.118 -1.967 2.293 154 3HZ LYS 20 3HZ LYS 20 10.293 -0.953 3.377 155 H THR 21 H THR 21 5.613 -6.099 2.137 156 HA THR 21 HA THR 21 3.216 -6.396 0.487 157 HB THR 21 HB THR 21 3.284 -8.751 1.033 158 HG1 THR 21 1HG THR 21 4.985 -8.254 2.775 159 1HG2 THR 21 1HG2 THR 21 5.639 -7.689 -0.528 160 2HG2 THR 21 2HG2 THR 21 3.998 -8.029 -1.111 161 3HG2 THR 21 3HG2 THR 21 5.045 -9.357 -0.615 162 H LYS 22 H LYS 22 1.421 -6.269 1.543 163 HA LYS 22 HA LYS 22 1.330 -7.137 4.343 164 1HB LYS 22 2HB LYS 22 0.280 -4.406 3.554 165 2HB LYS 22 1HB LYS 22 0.001 -5.187 5.096 166 1HG LYS 22 2HG LYS 22 2.513 -5.163 5.423 167 2HG LYS 22 1HG LYS 22 2.587 -4.123 3.996 168 1HD LYS 22 2HD LYS 22 1.057 -2.532 5.108 169 2HD LYS 22 1HD LYS 22 1.063 -3.564 6.536 170 1HE LYS 22 2HE LYS 22 2.597 -1.760 6.910 171 2HE LYS 22 1HE LYS 22 3.521 -3.236 6.690 172 1HZ LYS 22 1HZ LYS 22 3.980 -2.596 4.418 173 2HZ LYS 22 2HZ LYS 22 4.466 -1.357 5.472 174 3HZ LYS 22 3HZ LYS 22 3.015 -1.212 4.605 175 H GLU 23 H GLU 23 -0.676 -7.812 5.100 176 HA GLU 23 HA GLU 23 -2.775 -7.988 3.042 177 1HB GLU 23 2HB GLU 23 -1.406 -10.145 3.619 178 2HB GLU 23 1HB GLU 23 -2.224 -10.049 5.163 179 1HG GLU 23 2HG GLU 23 -4.335 -10.012 3.914 180 2HG GLU 23 1HG GLU 23 -3.401 -10.510 2.535 181 H PHE 24 H PHE 24 -4.695 -7.232 3.790 182 HA PHE 24 HA PHE 24 -5.235 -7.266 6.627 183 1HB PHE 24 2HB PHE 24 -5.309 -4.720 5.014 184 2HB PHE 24 1HB PHE 24 -6.098 -4.888 6.560 185 HD1 PHE 24 1HD PHE 24 -3.067 -4.200 4.817 186 HD2 PHE 24 2HD PHE 24 -4.640 -5.295 8.602 187 HE1 PHE 24 1HE PHE 24 -0.983 -3.462 5.891 188 HE2 PHE 24 2HE PHE 24 -2.560 -4.576 9.687 189 HZ PHE 24 HZ PHE 24 -0.724 -3.651 8.331 190 H LEU 25 H LEU 25 -7.472 -6.872 7.098 191 HA LEU 25 HA LEU 25 -9.228 -7.900 5.065 192 1HB LEU 25 2HB LEU 25 -9.800 -6.788 7.812 193 2HB LEU 25 1HB LEU 25 -10.961 -7.598 6.789 194 HG LEU 25 HG LEU 25 -8.517 -8.874 8.024 195 1HD1 LEU 25 1HD1 LEU 25 -11.450 -9.113 8.675 196 2HD1 LEU 25 2HD1 LEU 25 -10.227 -8.309 9.659 197 3HD1 LEU 25 3HD1 LEU 25 -10.152 -10.053 9.415 198 1HD2 LEU 25 1HD2 LEU 25 -10.787 -10.011 6.433 199 2HD2 LEU 25 2HD2 LEU 25 -9.538 -10.967 7.234 200 3HD2 LEU 25 3HD2 LEU 25 -9.114 -9.902 5.889 201 H PHE 26 H PHE 26 -10.269 -6.641 3.667 202 HA PHE 26 HA PHE 26 -10.782 -3.888 4.451 203 1HB PHE 26 2HB PHE 26 -9.715 -4.812 1.777 204 2HB PHE 26 1HB PHE 26 -10.428 -3.224 2.044 205 HD1 PHE 26 1HD PHE 26 -7.410 -5.232 2.318 206 HD2 PHE 26 2HD PHE 26 -9.332 -1.679 3.699 207 HE1 PHE 26 1HE PHE 26 -5.300 -4.382 3.031 208 HE2 PHE 26 2HE PHE 26 -7.157 -0.826 4.435 209 HZ PHE 26 HZ PHE 26 -5.116 -2.210 4.075 210 H SER 27 H SER 27 -12.517 -2.919 3.107 211 HA SER 27 HA SER 27 -14.571 -4.907 2.923 212 1HB SER 27 2HB SER 27 -14.648 -1.889 2.691 213 2HB SER 27 1HB SER 27 -16.044 -2.973 2.793 214 HG SER 27 HG SER 27 -14.155 -2.269 4.720 215 HA PRO 28 HA PRO 28 -14.063 -5.133 -1.463 216 1HB PRO 28 2HB PRO 28 -16.630 -5.804 -2.207 217 2HB PRO 28 1HB PRO 28 -15.458 -6.921 -1.475 218 1HG PRO 28 2HG PRO 28 -17.644 -5.389 -0.133 219 2HG PRO 28 1HG PRO 28 -17.219 -7.105 0.028 220 1HD PRO 28 2HD PRO 28 -16.418 -5.337 1.853 221 2HD PRO 28 1HD PRO 28 -15.351 -6.663 1.320 222 H ASN 29 H ASN 29 -16.062 -2.943 0.092 223 HA ASN 29 HA ASN 29 -16.941 -1.346 -2.136 224 1HB ASN 29 2HB ASN 29 -18.182 -1.422 0.017 225 2HB ASN 29 1HB ASN 29 -16.789 -0.735 0.830 226 1HD2 ASN 29 1HD2 ASN 29 -16.371 1.467 0.625 227 2HD2 ASN 29 2HD2 ASN 29 -17.507 2.553 -0.083 228 H ASP 30 H ASP 30 -14.045 -1.666 -0.280 229 HA ASP 30 HA ASP 30 -13.147 1.019 -0.605 230 1HB ASP 30 2HB ASP 30 -11.683 -1.458 0.356 231 2HB ASP 30 1HB ASP 30 -10.945 0.134 0.289 232 H SER 31 H SER 31 -11.279 1.651 -1.750 233 HA SER 31 HA SER 31 -11.117 0.219 -4.271 234 1HB SER 31 2HB SER 31 -10.137 2.434 -5.102 235 2HB SER 31 1HB SER 31 -11.871 2.402 -4.732 236 HG SER 31 HG SER 31 -10.384 3.064 -2.556 237 H ALA 32 H ALA 32 -9.329 -0.561 -5.086 238 HA ALA 32 HA ALA 32 -7.310 -1.617 -3.568 239 1HB ALA 32 1HB ALA 32 -8.010 -2.333 -5.769 240 2HB ALA 32 2HB ALA 32 -6.250 -2.112 -5.705 241 3HB ALA 32 3HB ALA 32 -7.290 -0.891 -6.447 242 H SER 33 H SER 33 -6.739 1.184 -5.798 243 HA SER 33 HA SER 33 -4.050 1.356 -4.903 244 1HB SER 33 2HB SER 33 -5.568 3.324 -6.693 245 2HB SER 33 1HB SER 33 -3.829 3.183 -6.511 246 HG SER 33 HG SER 33 -4.986 2.017 -8.312 247 H ASP 34 H ASP 34 -6.965 2.708 -3.894 248 HA ASP 34 HA ASP 34 -6.005 4.909 -2.273 249 1HB ASP 34 2HB ASP 34 -8.385 4.562 -2.981 250 2HB ASP 34 1HB ASP 34 -8.422 3.110 -2.001 251 H ILE 35 H ILE 35 -6.869 1.561 -1.694 252 HA ILE 35 HA ILE 35 -6.047 1.324 0.976 253 HB ILE 35 HB ILE 35 -6.112 -0.741 -1.227 254 1HG1 ILE 35 2HG1 ILE 35 -8.101 -0.109 0.952 255 2HG1 ILE 35 1HG1 ILE 35 -8.285 0.288 -0.756 256 1HG2 ILE 35 1HG2 ILE 35 -5.955 -1.115 1.743 257 2HG2 ILE 35 2HG2 ILE 35 -4.658 -1.399 0.594 258 3HG2 ILE 35 3HG2 ILE 35 -6.119 -2.398 0.545 259 1HD1 ILE 35 1HD1 ILE 35 -9.566 -1.683 -0.182 260 2HD1 ILE 35 2HD1 ILE 35 -8.098 -2.453 0.437 261 3HD1 ILE 35 3HD1 ILE 35 -8.243 -2.101 -1.282 262 H ALA 36 H ALA 36 -4.203 0.997 -2.033 263 HA ALA 36 HA ALA 36 -1.772 0.106 -1.135 264 1HB ALA 36 1HB ALA 36 -0.736 1.329 -2.987 265 2HB ALA 36 2HB ALA 36 -2.155 2.355 -3.124 266 3HB ALA 36 3HB ALA 36 -2.272 0.650 -3.523 267 H LYS 37 H LYS 37 -3.160 3.309 -0.719 268 HA LYS 37 HA LYS 37 -0.867 4.498 0.478 269 1HB LYS 37 2HB LYS 37 -3.722 5.156 0.171 270 2HB LYS 37 1HB LYS 37 -2.972 5.916 1.541 271 1HG LYS 37 2HG LYS 37 -3.024 7.366 -0.398 272 2HG LYS 37 1HG LYS 37 -1.369 6.991 0.049 273 1HD LYS 37 2HD LYS 37 -1.216 5.395 -1.765 274 2HD LYS 37 1HD LYS 37 -2.916 5.662 -2.176 275 1HE LYS 37 2HE LYS 37 -1.354 6.929 -3.631 276 2HE LYS 37 1HE LYS 37 -2.474 7.960 -2.744 277 1HZ LYS 37 1HZ LYS 37 0.395 7.493 -1.999 278 2HZ LYS 37 2HZ LYS 37 -0.734 8.441 -1.153 279 3HZ LYS 37 3HZ LYS 37 -0.276 8.894 -2.671 280 H HIS 38 H HIS 38 -3.797 3.046 1.795 281 HA HIS 38 HA HIS 38 -3.261 3.453 4.462 282 1HB HIS 38 2HB HIS 38 -5.479 2.801 3.813 283 2HB HIS 38 1HB HIS 38 -4.907 1.271 3.181 284 HD1 HIS 38 1HD HIS 38 -5.864 2.943 6.425 285 HD2 HIS 38 2HD HIS 38 -4.525 -0.725 5.066 286 HE1 HIS 38 1HE HIS 38 -6.310 1.349 8.306 287 HE2 HIS 38 2HE HIS 38 -5.837 -0.892 7.311 288 H VAL 39 H VAL 39 -2.420 0.700 2.399 289 HA VAL 39 HA VAL 39 -1.229 -0.785 4.527 290 HB VAL 39 HB VAL 39 -0.521 -2.373 2.779 291 1HG1 VAL 39 1HG1 VAL 39 -2.814 -3.054 2.189 292 2HG1 VAL 39 2HG1 VAL 39 -3.414 -1.469 2.605 293 3HG1 VAL 39 3HG1 VAL 39 -2.751 -2.505 3.856 294 1HG2 VAL 39 1HG2 VAL 39 -1.921 -0.450 0.958 295 2HG2 VAL 39 2HG2 VAL 39 -1.254 -2.013 0.485 296 3HG2 VAL 39 3HG2 VAL 39 -0.178 -0.699 0.993 297 H TYR 40 H TYR 40 -0.042 1.400 2.086 298 HA TYR 40 HA TYR 40 2.689 0.796 2.540 299 1HB TYR 40 2HB TYR 40 1.875 2.037 0.518 300 2HB TYR 40 1HB TYR 40 1.552 3.426 1.545 301 HD1 TYR 40 1HD TYR 40 4.303 1.144 0.512 302 HD2 TYR 40 2HD TYR 40 3.235 5.036 1.851 303 HE1 TYR 40 1HE TYR 40 6.609 1.894 0.154 304 HE2 TYR 40 2HE TYR 40 5.531 5.793 1.498 305 HH TYR 40 HH TYR 40 7.765 4.014 -0.278 306 H ASP 41 H ASP 41 0.551 3.326 3.883 307 HA ASP 41 HA ASP 41 2.199 3.234 6.259 308 1HB ASP 41 2HB ASP 41 1.703 5.792 4.778 309 2HB ASP 41 1HB ASP 41 1.823 5.816 6.527 310 H ASN 42 H ASN 42 -0.388 5.540 5.658 311 HA ASN 42 HA ASN 42 -1.951 4.107 7.691 312 1HB ASN 42 2HB ASN 42 -0.672 6.179 8.578 313 2HB ASN 42 1HB ASN 42 -1.717 7.141 7.545 314 1HD2 ASN 42 1HD2 ASN 42 -1.413 7.234 10.417 315 2HD2 ASN 42 2HD2 ASN 42 -2.950 6.905 11.120 316 H TRP 43 H TRP 43 -4.285 5.116 7.587 317 HA TRP 43 HA TRP 43 -5.268 4.646 4.987 318 1HB TRP 43 2HB TRP 43 -6.665 4.314 7.068 319 2HB TRP 43 1HB TRP 43 -6.723 6.058 7.249 320 HD1 TRP 43 HD TRP 43 -8.393 7.418 5.671 321 HE1 TRP 43 1HE TRP 43 -10.318 6.661 4.082 322 HE3 TRP 43 3HE TRP 43 -7.443 2.391 5.423 323 HZ2 TRP 43 2HZ TRP 43 -11.283 4.346 2.931 324 HZ3 TRP 43 3HZ TRP 43 -8.921 0.987 4.053 325 HH2 TRP 43 HH TRP 43 -10.800 1.946 2.834 326 HA PRO 44 HA PRO 44 -4.569 8.417 2.750 327 1HB PRO 44 2HB PRO 44 -7.363 7.886 1.841 328 2HB PRO 44 1HB PRO 44 -5.896 8.198 0.905 329 1HG PRO 44 2HG PRO 44 -6.926 5.673 1.246 330 2HG PRO 44 1HG PRO 44 -5.233 6.063 0.919 331 1HD PRO 44 2HD PRO 44 -6.521 5.046 3.299 332 2HD PRO 44 1HD PRO 44 -4.806 5.071 2.859 333 H MET 45 H MET 45 -4.560 10.029 4.244 334 HA MET 45 HA MET 45 -7.095 11.372 4.752 335 1HB MET 45 2HB MET 45 -5.002 10.827 6.866 336 2HB MET 45 1HB MET 45 -6.377 11.900 7.083 337 1HG MET 45 2HG MET 45 -7.877 9.985 6.719 338 2HG MET 45 1HG MET 45 -6.477 8.934 6.584 339 1HE MET 45 1HE MET 45 -4.770 8.457 8.596 340 2HE MET 45 2HE MET 45 -4.958 9.146 10.206 341 3HE MET 45 3HE MET 45 -4.541 10.189 8.853 342 H ASP 46 H ASP 46 -3.576 11.724 5.364 343 HA ASP 46 HA ASP 46 -3.901 14.508 4.471 344 1HB ASP 46 2HB ASP 46 -3.043 14.187 6.802 345 2HB ASP 46 1HB ASP 46 -1.657 13.336 6.139 346 H TRP 47 H TRP 47 -1.129 12.323 4.609 347 HA TRP 47 HA TRP 47 0.435 11.743 3.182 348 1HB TRP 47 2HB TRP 47 -1.901 11.739 1.307 349 2HB TRP 47 1HB TRP 47 -0.294 11.213 0.806 350 HD1 TRP 47 HD TRP 47 -3.180 10.196 3.105 351 HE1 TRP 47 1HE TRP 47 -2.779 7.729 3.847 352 HE3 TRP 47 3HE TRP 47 1.475 9.501 1.148 353 HZ2 TRP 47 2HZ TRP 47 -0.774 5.810 3.607 354 HZ3 TRP 47 3HZ TRP 47 2.567 7.318 1.440 355 HH2 TRP 47 HH TRP 47 1.453 5.513 2.654 356 H GLU 48 H GLU 48 1.327 12.202 0.698 357 HA GLU 48 HA GLU 48 1.674 15.051 0.396 358 1HB GLU 48 2HB GLU 48 3.047 14.432 2.339 359 2HB GLU 48 1HB GLU 48 3.829 13.189 1.395 360 1HG GLU 48 2HG GLU 48 4.785 14.945 -0.045 361 2HG GLU 48 1HG GLU 48 4.027 16.162 0.987 362 H GLU 49 H GLU 49 3.126 15.449 -1.477 363 HA GLU 49 HA GLU 49 3.775 13.137 -3.101 364 1HB GLU 49 2HB GLU 49 3.116 14.395 -5.153 365 2HB GLU 49 1HB GLU 49 1.747 14.123 -4.094 366 1HG GLU 49 2HG GLU 49 1.968 16.448 -3.278 367 2HG GLU 49 1HG GLU 49 3.283 16.686 -4.428 368 H GLU 50 H GLU 50 5.749 13.277 -4.129 369 HA GLU 50 HA GLU 50 7.686 14.897 -2.910 370 1HB GLU 50 2HB GLU 50 7.789 13.167 -5.363 371 2HB GLU 50 1HB GLU 50 9.167 14.134 -4.896 372 1HG GLU 50 2HG GLU 50 9.269 11.761 -4.226 373 2HG GLU 50 1HG GLU 50 9.441 12.866 -2.849 374 H GLN 51 H GLN 51 7.053 15.020 -6.429 375 HA GLN 51 HA GLN 51 7.257 17.919 -6.091 376 1HB GLN 51 2HB GLN 51 8.066 16.293 -8.520 377 2HB GLN 51 1HB GLN 51 7.830 18.019 -8.586 378 1HG GLN 51 2HG GLN 51 10.160 17.564 -8.489 379 2HG GLN 51 1HG GLN 51 9.690 18.260 -6.954 380 1HE2 GLN 51 1HE2 GLN 51 9.895 17.036 -5.114 381 2HE2 GLN 51 2HE2 GLN 51 10.705 15.529 -5.058 382 H VAL 52 H VAL 52 6.194 16.286 -8.961 383 HA VAL 52 HA VAL 52 3.410 16.603 -8.347 384 HB VAL 52 HB VAL 52 2.910 17.865 -10.487 385 1HG1 VAL 52 1HG1 VAL 52 2.815 19.058 -8.410 386 2HG1 VAL 52 2HG1 VAL 52 3.472 20.102 -9.677 387 3HG1 VAL 52 3HG1 VAL 52 4.546 19.380 -8.478 388 1HG2 VAL 52 1HG2 VAL 52 5.868 18.432 -10.471 389 2HG2 VAL 52 2HG2 VAL 52 4.688 19.207 -11.529 390 3HG2 VAL 52 3HG2 VAL 52 5.001 17.473 -11.667 391 H SER 53 H SER 53 2.390 14.910 -9.164 392 HA SER 53 HA SER 53 3.581 13.618 -11.492 393 1HB SER 53 2HB SER 53 2.607 12.222 -8.983 394 2HB SER 53 1HB SER 53 3.080 11.397 -10.469 395 HG SER 53 HG SER 53 4.708 12.836 -8.633 396 H SER 54 H SER 54 1.995 11.997 -12.462 397 HA SER 54 HA SER 54 -0.578 13.287 -12.667 398 1HB SER 54 2HB SER 54 -0.850 11.671 -14.586 399 2HB SER 54 1HB SER 54 0.529 12.751 -14.759 400 HG SER 54 HG SER 54 1.870 11.140 -14.443 401 HA PRO 55 HA PRO 55 -2.332 10.383 -9.651 402 1HB PRO 55 2HB PRO 55 -4.757 11.080 -11.198 403 2HB PRO 55 1HB PRO 55 -4.527 11.068 -9.441 404 1HG PRO 55 2HG PRO 55 -4.579 13.375 -10.749 405 2HG PRO 55 1HG PRO 55 -3.396 13.114 -9.455 406 1HD PRO 55 2HD PRO 55 -2.989 13.113 -12.418 407 2HD PRO 55 1HD PRO 55 -1.923 13.680 -11.119 408 H ASN 56 H ASN 56 -2.576 10.217 -13.063 409 HA ASN 56 HA ASN 56 -3.965 7.798 -13.437 410 1HB ASN 56 2HB ASN 56 -3.573 9.400 -15.255 411 2HB ASN 56 1HB ASN 56 -1.845 9.120 -15.155 412 1HD2 ASN 56 1HD2 ASN 56 -0.993 7.341 -16.181 413 2HD2 ASN 56 2HD2 ASN 56 -1.900 6.293 -17.202 414 H ILE 57 H ILE 57 -0.863 8.359 -12.089 415 HA ILE 57 HA ILE 57 0.191 5.812 -12.798 416 HB ILE 57 HB ILE 57 2.054 6.308 -11.270 417 1HG1 ILE 57 2HG1 ILE 57 2.205 8.705 -10.311 418 2HG1 ILE 57 1HG1 ILE 57 0.483 8.823 -10.604 419 1HG2 ILE 57 1HG2 ILE 57 2.942 8.264 -12.514 420 2HG2 ILE 57 2HG2 ILE 57 1.324 8.543 -13.133 421 3HG2 ILE 57 3HG2 ILE 57 2.176 7.056 -13.545 422 1HD1 ILE 57 1HD1 ILE 57 0.961 8.366 -8.275 423 2HD1 ILE 57 2HD1 ILE 57 1.830 6.902 -8.708 424 3HD1 ILE 57 3HD1 ILE 57 0.093 7.016 -9.000 425 H LEU 58 H LEU 58 -2.027 6.856 -10.484 426 HA LEU 58 HA LEU 58 -1.638 4.672 -8.576 427 1HB LEU 58 2HB LEU 58 -3.948 6.576 -9.008 428 2HB LEU 58 1HB LEU 58 -3.781 5.455 -7.672 429 HG LEU 58 HG LEU 58 -1.999 7.844 -8.190 430 1HD1 LEU 58 1HD1 LEU 58 -4.140 7.393 -6.121 431 2HD1 LEU 58 2HD1 LEU 58 -4.234 8.496 -7.494 432 3HD1 LEU 58 3HD1 LEU 58 -3.067 8.790 -6.207 433 1HD2 LEU 58 1HD2 LEU 58 -2.084 5.912 -5.870 434 2HD2 LEU 58 2HD2 LEU 58 -1.088 7.364 -5.968 435 3HD2 LEU 58 3HD2 LEU 58 -0.800 6.024 -7.076 436 H ARG 59 H ARG 59 -1.681 2.847 -9.603 437 HA ARG 59 HA ARG 59 -4.224 2.088 -10.635 438 1HB ARG 59 2HB ARG 59 -3.189 1.129 -12.705 439 2HB ARG 59 1HB ARG 59 -3.323 2.894 -12.633 440 1HG ARG 59 2HG ARG 59 -0.924 2.916 -11.905 441 2HG ARG 59 1HG ARG 59 -0.885 1.190 -12.280 442 1HD ARG 59 2HD ARG 59 -1.478 1.666 -14.582 443 2HD ARG 59 1HD ARG 59 -1.576 3.385 -14.214 444 HE ARG 59 HE ARG 59 0.917 1.822 -14.013 445 1HH1 ARG 59 1HH1 ARG 59 -0.760 4.846 -14.815 446 2HH1 ARG 59 2HH1 ARG 59 0.635 5.588 -15.455 447 1HH2 ARG 59 1HH2 ARG 59 2.792 2.870 -14.870 448 2HH2 ARG 59 2HH2 ARG 59 2.692 4.464 -15.480 449 H LEU 60 H LEU 60 -4.248 -0.251 -11.214 450 HA LEU 60 HA LEU 60 -2.712 -1.635 -9.152 451 1HB LEU 60 2HB LEU 60 -4.783 -2.792 -8.546 452 2HB LEU 60 1HB LEU 60 -4.822 -1.071 -8.235 453 HG LEU 60 HG LEU 60 -6.026 -0.951 -10.538 454 1HD1 LEU 60 1HD1 LEU 60 -7.475 -2.830 -11.027 455 2HD1 LEU 60 2HD1 LEU 60 -6.628 -3.801 -9.823 456 3HD1 LEU 60 3HD1 LEU 60 -5.767 -3.214 -11.249 457 1HD2 LEU 60 1HD2 LEU 60 -8.160 -1.169 -9.451 458 2HD2 LEU 60 2HD2 LEU 60 -6.989 -0.316 -8.443 459 3HD2 LEU 60 3HD2 LEU 60 -7.390 -2.010 -8.113 460 H ILE 61 H ILE 61 -2.339 -3.766 -9.469 461 HA ILE 61 HA ILE 61 -2.965 -4.840 -12.112 462 HB ILE 61 HB ILE 61 -0.548 -5.298 -10.355 463 1HG1 ILE 61 2HG1 ILE 61 -0.767 -4.143 -13.107 464 2HG1 ILE 61 1HG1 ILE 61 -0.689 -3.163 -11.656 465 1HG2 ILE 61 1HG2 ILE 61 -1.234 -7.369 -11.517 466 2HG2 ILE 61 2HG2 ILE 61 0.269 -6.735 -12.181 467 3HG2 ILE 61 3HG2 ILE 61 -1.246 -6.500 -13.053 468 1HD1 ILE 61 1HD1 ILE 61 1.426 -5.057 -12.703 469 2HD1 ILE 61 2HD1 ILE 61 1.548 -4.132 -11.202 470 3HD1 ILE 61 3HD1 ILE 61 1.466 -3.292 -12.753 471 H TYR 62 H TYR 62 -4.286 -6.481 -12.010 472 HA TYR 62 HA TYR 62 -4.654 -7.819 -9.433 473 1HB TYR 62 2HB TYR 62 -6.664 -6.722 -10.417 474 2HB TYR 62 1HB TYR 62 -6.474 -7.698 -11.861 475 HD1 TYR 62 1HD TYR 62 -6.313 -8.768 -8.278 476 HD2 TYR 62 2HD TYR 62 -8.455 -8.947 -11.950 477 HE1 TYR 62 1HE TYR 62 -7.857 -10.397 -7.297 478 HE2 TYR 62 2HE TYR 62 -10.018 -10.578 -10.973 479 HH TYR 62 HH TYR 62 -10.072 -12.141 -9.232 480 H GLN 63 H GLN 63 -2.549 -8.706 -10.100 481 HA GLN 63 HA GLN 63 -1.207 -10.298 -10.793 482 1HB GLN 63 2HB GLN 63 -3.726 -11.874 -10.356 483 2HB GLN 63 1HB GLN 63 -2.179 -12.606 -10.781 484 1HG GLN 63 2HG GLN 63 -2.359 -10.726 -8.562 485 2HG GLN 63 1HG GLN 63 -2.781 -12.357 -8.176 486 1HE2 GLN 63 1HE2 GLN 63 -0.650 -13.173 -10.292 487 2HE2 GLN 63 2HE2 GLN 63 0.814 -12.986 -9.424 488 H GLY 64 H GLY 64 -0.657 -9.455 -12.729 489 1HA GLY 64 2HA GLY 64 -0.128 -10.493 -14.880 490 2HA GLY 64 1HA GLY 64 -1.835 -10.895 -15.006 491 H ARG 65 H ARG 65 -3.212 -8.668 -14.561 492 HA ARG 65 HA ARG 65 -1.984 -6.681 -16.329 493 1HB ARG 65 2HB ARG 65 -4.074 -6.384 -17.566 494 2HB ARG 65 1HB ARG 65 -3.436 -8.013 -17.744 495 1HG ARG 65 2HG ARG 65 -5.073 -8.860 -16.214 496 2HG ARG 65 1HG ARG 65 -5.653 -7.230 -15.864 497 1HD ARG 65 2HD ARG 65 -6.325 -6.976 -18.209 498 2HD ARG 65 1HD ARG 65 -5.751 -8.604 -18.549 499 HE ARG 65 HE ARG 65 -7.439 -9.203 -16.709 500 1HH1 ARG 65 1HH1 ARG 65 -7.929 -6.634 -19.118 501 2HH1 ARG 65 2HH1 ARG 65 -9.607 -6.865 -19.241 502 1HH2 ARG 65 1HH2 ARG 65 -9.775 -9.508 -16.881 503 2HH2 ARG 65 2HH2 ARG 65 -10.695 -8.562 -17.923 504 H PHE 66 H PHE 66 -3.048 -4.596 -16.358 505 HA PHE 66 HA PHE 66 -3.894 -3.731 -13.719 506 1HB PHE 66 2HB PHE 66 -3.730 -2.179 -16.322 507 2HB PHE 66 1HB PHE 66 -3.956 -1.478 -14.732 508 HD1 PHE 66 1HD PHE 66 -1.600 -2.899 -17.118 509 HD2 PHE 66 2HD PHE 66 -1.974 -1.200 -13.216 510 HE1 PHE 66 1HE PHE 66 0.831 -2.555 -17.021 511 HE2 PHE 66 2HE PHE 66 0.428 -0.865 -13.138 512 HZ PHE 66 HZ PHE 66 1.844 -1.535 -15.031 513 H LEU 67 H LEU 67 -6.016 -3.782 -13.206 514 HA LEU 67 HA LEU 67 -7.984 -4.186 -15.338 515 1HB LEU 67 2HB LEU 67 -8.506 -3.836 -12.398 516 2HB LEU 67 1HB LEU 67 -9.740 -4.117 -13.597 517 HG LEU 67 HG LEU 67 -7.590 -6.025 -12.717 518 1HD1 LEU 67 1HD1 LEU 67 -9.469 -5.750 -11.200 519 2HD1 LEU 67 2HD1 LEU 67 -9.524 -7.333 -11.955 520 3HD1 LEU 67 3HD1 LEU 67 -10.596 -6.056 -12.507 521 1HD2 LEU 67 1HD2 LEU 67 -9.685 -6.361 -14.874 522 2HD2 LEU 67 2HD2 LEU 67 -8.639 -7.633 -14.249 523 3HD2 LEU 67 3HD2 LEU 67 -7.938 -6.282 -15.129 524 H HIS 68 H HIS 68 -7.276 -1.630 -13.054 525 HA HIS 68 HA HIS 68 -8.152 0.350 -14.867 526 1HB HIS 68 2HB HIS 68 -10.323 -0.699 -13.744 527 2HB HIS 68 1HB HIS 68 -9.751 0.136 -12.312 528 HD1 HIS 68 1HD HIS 68 -11.820 1.768 -12.266 529 HD2 HIS 68 2HD HIS 68 -9.629 1.826 -15.776 530 HE1 HIS 68 1HE HIS 68 -12.678 3.725 -13.527 531 HE2 HIS 68 2HE HIS 68 -11.075 3.982 -15.389 532 H GLY 69 H GLY 69 -8.113 2.531 -13.314 533 1HA GLY 69 2HA GLY 69 -5.541 2.472 -12.169 534 2HA GLY 69 1HA GLY 69 -6.655 3.825 -12.169 535 H ASN 70 H ASN 70 -8.806 2.533 -10.778 536 HA ASN 70 HA ASN 70 -7.831 1.632 -8.307 537 1HB ASN 70 2HB ASN 70 -7.296 4.078 -8.139 538 2HB ASN 70 1HB ASN 70 -8.999 4.432 -8.393 539 1HD2 ASN 70 1HD2 ASN 70 -9.215 5.440 -6.401 540 2HD2 ASN 70 2HD2 ASN 70 -9.224 4.550 -4.923 541 H VAL 71 H VAL 71 -9.229 0.092 -9.131 542 HA VAL 71 HA VAL 71 -12.095 0.661 -8.908 543 HB VAL 71 HB VAL 71 -11.288 -0.214 -11.086 544 1HG1 VAL 71 1HG1 VAL 71 -9.484 -1.559 -10.659 545 2HG1 VAL 71 2HG1 VAL 71 -10.701 -2.590 -11.368 546 3HG1 VAL 71 3HG1 VAL 71 -10.401 -2.657 -9.619 547 1HG2 VAL 71 1HG2 VAL 71 -12.912 -2.028 -11.377 548 2HG2 VAL 71 2HG2 VAL 71 -13.549 -0.593 -10.576 549 3HG2 VAL 71 3HG2 VAL 71 -13.150 -2.033 -9.625 550 H THR 72 H THR 72 -13.448 -0.841 -7.752 551 HA THR 72 HA THR 72 -12.229 -1.301 -5.215 552 HB THR 72 HB THR 72 -14.544 -1.995 -4.582 553 HG1 THR 72 1HG THR 72 -16.151 -1.448 -6.225 554 1HG2 THR 72 1HG2 THR 72 -13.812 0.326 -4.330 555 2HG2 THR 72 2HG2 THR 72 -15.507 0.267 -4.818 556 3HG2 THR 72 3HG2 THR 72 -14.259 0.659 -6.001 557 H LEU 73 H LEU 73 -12.529 -3.310 -3.975 558 HA LEU 73 HA LEU 73 -11.538 -5.503 -5.425 559 1HB LEU 73 2HB LEU 73 -12.627 -5.489 -2.629 560 2HB LEU 73 1HB LEU 73 -11.606 -6.710 -3.340 561 HG LEU 73 HG LEU 73 -10.160 -5.592 -2.050 562 1HD1 LEU 73 1HD1 LEU 73 -8.664 -4.238 -3.422 563 2HD1 LEU 73 2HD1 LEU 73 -9.894 -4.220 -4.682 564 3HD1 LEU 73 3HD1 LEU 73 -9.178 -5.748 -4.164 565 1HD2 LEU 73 1HD2 LEU 73 -11.373 -2.941 -2.800 566 2HD2 LEU 73 2HD2 LEU 73 -10.006 -3.185 -1.718 567 3HD2 LEU 73 3HD2 LEU 73 -11.592 -3.810 -1.283 568 H GLY 74 H GLY 74 -14.740 -4.673 -4.203 569 1HA GLY 74 2HA GLY 74 -15.989 -7.129 -4.770 570 2HA GLY 74 1HA GLY 74 -16.802 -5.567 -4.730 571 H ALA 75 H ALA 75 -15.035 -4.473 -6.793 572 HA ALA 75 HA ALA 75 -16.525 -5.253 -9.084 573 1HB ALA 75 1HB ALA 75 -15.841 -2.931 -8.741 574 2HB ALA 75 2HB ALA 75 -15.156 -3.545 -10.247 575 3HB ALA 75 3HB ALA 75 -14.157 -3.411 -8.805 576 H LEU 76 H LEU 76 -13.687 -6.435 -7.630 577 HA LEU 76 HA LEU 76 -12.368 -7.416 -10.027 578 1HB LEU 76 2HB LEU 76 -11.949 -8.200 -7.165 579 2HB LEU 76 1HB LEU 76 -10.847 -8.455 -8.502 580 HG LEU 76 HG LEU 76 -11.569 -5.805 -7.276 581 1HD1 LEU 76 1HD1 LEU 76 -9.277 -5.888 -6.458 582 2HD1 LEU 76 2HD1 LEU 76 -9.100 -7.508 -7.135 583 3HD1 LEU 76 3HD1 LEU 76 -10.248 -7.213 -5.827 584 1HD2 LEU 76 1HD2 LEU 76 -9.756 -4.917 -8.622 585 2HD2 LEU 76 2HD2 LEU 76 -11.021 -5.616 -9.640 586 3HD2 LEU 76 3HD2 LEU 76 -9.518 -6.509 -9.343 587 H LYS 77 H LYS 77 -15.124 -8.247 -8.563 588 HA LYS 77 HA LYS 77 -16.467 -10.026 -8.377 589 1HB LYS 77 2HB LYS 77 -14.552 -11.481 -10.267 590 2HB LYS 77 1HB LYS 77 -16.148 -12.044 -9.820 591 1HG LYS 77 2HG LYS 77 -16.300 -11.158 -12.029 592 2HG LYS 77 1HG LYS 77 -17.078 -9.987 -10.971 593 1HD LYS 77 2HD LYS 77 -15.000 -8.649 -10.980 594 2HD LYS 77 1HD LYS 77 -14.251 -9.783 -12.071 595 1HE LYS 77 2HE LYS 77 -16.716 -8.114 -12.639 596 2HE LYS 77 1HE LYS 77 -15.102 -7.820 -13.268 597 1HZ LYS 77 1HZ LYS 77 -16.470 -8.879 -14.899 598 2HZ LYS 77 2HZ LYS 77 -16.832 -10.160 -13.888 599 3HZ LYS 77 3HZ LYS 77 -15.262 -9.963 -14.457 600 H LEU 78 H LEU 78 -15.923 -10.110 -6.176 601 HA LEU 78 HA LEU 78 -14.255 -12.413 -5.455 602 1HB LEU 78 2HB LEU 78 -14.206 -9.721 -4.087 603 2HB LEU 78 1HB LEU 78 -13.382 -11.140 -3.511 604 HG LEU 78 HG LEU 78 -12.780 -9.627 -6.038 605 1HD1 LEU 78 1HD1 LEU 78 -11.256 -9.936 -3.458 606 2HD1 LEU 78 2HD1 LEU 78 -12.100 -8.490 -4.016 607 3HD1 LEU 78 3HD1 LEU 78 -10.690 -9.080 -4.897 608 1HD2 LEU 78 1HD2 LEU 78 -12.380 -11.995 -6.341 609 2HD2 LEU 78 2HD2 LEU 78 -11.421 -12.039 -4.858 610 3HD2 LEU 78 3HD2 LEU 78 -10.864 -11.107 -6.250 611 HA PRO 79 HA PRO 79 -17.760 -13.010 -2.677 612 1HB PRO 79 2HB PRO 79 -16.504 -15.376 -1.651 613 2HB PRO 79 1HB PRO 79 -17.845 -15.295 -2.791 614 1HG PRO 79 2HG PRO 79 -15.290 -16.212 -3.374 615 2HG PRO 79 1HG PRO 79 -16.490 -15.697 -4.570 616 1HD PRO 79 2HD PRO 79 -14.118 -14.242 -3.511 617 2HD PRO 79 1HD PRO 79 -14.883 -14.189 -5.115 618 H PHE 80 H PHE 80 -17.957 -12.971 -0.349 619 HA PHE 80 HA PHE 80 -15.788 -11.525 0.893 620 1HB PHE 80 2HB PHE 80 -18.246 -12.618 2.263 621 2HB PHE 80 1HB PHE 80 -17.203 -11.316 2.801 622 HD1 PHE 80 1HD PHE 80 -20.240 -11.594 2.309 623 HD2 PHE 80 2HD PHE 80 -17.063 -9.803 0.160 624 HE1 PHE 80 1HE PHE 80 -21.851 -10.024 1.249 625 HE2 PHE 80 2HE PHE 80 -18.638 -8.222 -0.892 626 HZ PHE 80 HZ PHE 80 -21.032 -8.334 -0.345 627 H GLY 81 H GLY 81 -14.707 -12.228 2.795 628 1HA GLY 81 2HA GLY 81 -13.936 -13.778 4.321 629 2HA GLY 81 1HA GLY 81 -15.019 -14.970 3.654 630 H LYS 82 H LYS 82 -13.379 -13.605 1.139 631 HA LYS 82 HA LYS 82 -11.540 -15.885 1.062 632 1HB LYS 82 2HB LYS 82 -12.540 -14.168 -1.211 633 2HB LYS 82 1HB LYS 82 -11.536 -15.603 -1.359 634 1HG LYS 82 2HG LYS 82 -14.377 -15.504 -0.353 635 2HG LYS 82 1HG LYS 82 -13.840 -16.100 -1.920 636 1HD LYS 82 2HD LYS 82 -12.594 -17.900 -0.816 637 2HD LYS 82 1HD LYS 82 -13.083 -17.261 0.756 638 1HE LYS 82 2HE LYS 82 -15.419 -17.679 0.210 639 2HE LYS 82 1HE LYS 82 -14.945 -18.291 -1.371 640 1HZ LYS 82 1HZ LYS 82 -13.714 -20.060 -0.249 641 2HZ LYS 82 2HZ LYS 82 -15.341 -20.092 0.130 642 3HZ LYS 82 3HZ LYS 82 -14.244 -19.503 1.260 643 H THR 83 H THR 83 -9.385 -15.561 0.336 644 HA THR 83 HA THR 83 -8.408 -12.868 0.864 645 HB THR 83 HB THR 83 -6.934 -15.521 0.869 646 HG1 THR 83 1HG THR 83 -8.322 -15.335 2.623 647 1HG2 THR 83 1HG2 THR 83 -5.464 -13.625 0.295 648 2HG2 THR 83 2HG2 THR 83 -5.085 -14.252 1.899 649 3HG2 THR 83 3HG2 THR 83 -6.015 -12.761 1.731 650 H THR 84 H THR 84 -7.603 -11.717 -0.667 651 HA THR 84 HA THR 84 -6.840 -13.008 -3.205 652 HB THR 84 HB THR 84 -8.451 -10.454 -2.874 653 HG1 THR 84 1HG THR 84 -9.792 -12.136 -2.605 654 1HG2 THR 84 1HG2 THR 84 -7.579 -11.881 -5.401 655 2HG2 THR 84 2HG2 THR 84 -6.937 -10.342 -4.830 656 3HG2 THR 84 3HG2 THR 84 -8.631 -10.466 -5.323 657 H VAL 85 H VAL 85 -5.019 -12.154 -4.225 658 HA VAL 85 HA VAL 85 -3.617 -10.033 -2.768 659 HB VAL 85 HB VAL 85 -2.374 -12.132 -2.720 660 1HG1 VAL 85 1HG1 VAL 85 -2.444 -12.057 -5.730 661 2HG1 VAL 85 2HG1 VAL 85 -3.235 -13.239 -4.680 662 3HG1 VAL 85 3HG1 VAL 85 -1.477 -13.168 -4.763 663 1HG2 VAL 85 1HG2 VAL 85 -1.084 -10.148 -4.590 664 2HG2 VAL 85 2HG2 VAL 85 -0.235 -11.397 -3.677 665 3HG2 VAL 85 3HG2 VAL 85 -1.059 -10.093 -2.828 666 H MET 86 H MET 86 -2.919 -8.241 -3.801 667 HA MET 86 HA MET 86 -3.197 -8.090 -6.708 668 1HB MET 86 2HB MET 86 -4.196 -6.031 -4.746 669 2HB MET 86 1HB MET 86 -4.066 -5.801 -6.479 670 1HG MET 86 2HG MET 86 -5.671 -7.550 -6.845 671 2HG MET 86 1HG MET 86 -5.817 -7.826 -5.116 672 1HE MET 86 1HE MET 86 -6.545 -5.492 -8.116 673 2HE MET 86 2HE MET 86 -5.489 -4.430 -7.168 674 3HE MET 86 3HE MET 86 -7.205 -4.058 -7.340 675 H HIS 87 H HIS 87 -1.902 -6.511 -7.654 676 HA HIS 87 HA HIS 87 0.335 -5.687 -5.962 677 1HB HIS 87 2HB HIS 87 0.218 -6.330 -8.914 678 2HB HIS 87 1HB HIS 87 1.584 -5.542 -8.106 679 HD1 HIS 87 1HD HIS 87 3.377 -7.086 -7.505 680 HD2 HIS 87 2HD HIS 87 -0.272 -9.136 -7.490 681 HE1 HIS 87 1HE HIS 87 3.891 -9.468 -6.944 682 HE2 HIS 87 2HE HIS 87 1.718 -10.649 -7.337 683 H LEU 88 H LEU 88 0.763 -3.529 -5.826 684 HA LEU 88 HA LEU 88 -0.994 -1.795 -7.411 685 1HB LEU 88 2HB LEU 88 -0.056 -1.443 -4.555 686 2HB LEU 88 1HB LEU 88 -0.915 -0.230 -5.469 687 HG LEU 88 HG LEU 88 -2.430 -1.259 -3.936 688 1HD1 LEU 88 1HD1 LEU 88 -3.372 -0.647 -6.051 689 2HD1 LEU 88 2HD1 LEU 88 -4.166 -2.075 -5.388 690 3HD1 LEU 88 3HD1 LEU 88 -3.001 -2.246 -6.703 691 1HD2 LEU 88 1HD2 LEU 88 -2.979 -3.663 -4.018 692 2HD2 LEU 88 2HD2 LEU 88 -1.315 -3.365 -3.524 693 3HD2 LEU 88 3HD2 LEU 88 -1.667 -3.902 -5.168 694 H VAL 89 H VAL 89 -0.103 -0.023 -8.333 695 HA VAL 89 HA VAL 89 2.755 0.269 -7.880 696 HB VAL 89 HB VAL 89 3.102 0.838 -10.259 697 1HG1 VAL 89 1HG1 VAL 89 3.439 -1.499 -9.577 698 2HG1 VAL 89 2HG1 VAL 89 2.810 -1.382 -11.231 699 3HG1 VAL 89 3HG1 VAL 89 1.731 -1.821 -9.921 700 1HG2 VAL 89 1HG2 VAL 89 0.865 1.661 -10.764 701 2HG2 VAL 89 2HG2 VAL 89 0.237 0.010 -10.636 702 3HG2 VAL 89 3HG2 VAL 89 1.383 0.430 -11.910 703 H ALA 90 H ALA 90 3.495 2.240 -7.529 704 HA ALA 90 HA ALA 90 1.803 4.524 -8.159 705 1HB ALA 90 1HB ALA 90 2.304 5.541 -5.987 706 2HB ALA 90 2HB ALA 90 3.195 4.097 -5.508 707 3HB ALA 90 3HB ALA 90 1.457 4.007 -5.787 708 H ARG 91 H ARG 91 2.949 5.847 -9.423 709 HA ARG 91 HA ARG 91 5.868 5.879 -9.295 710 1HB ARG 91 2HB ARG 91 4.652 5.854 -11.509 711 2HB ARG 91 1HB ARG 91 3.924 7.380 -11.059 712 1HG ARG 91 2HG ARG 91 6.891 6.999 -11.372 713 2HG ARG 91 1HG ARG 91 5.834 7.458 -12.707 714 1HD ARG 91 2HD ARG 91 5.229 9.517 -11.509 715 2HD ARG 91 1HD ARG 91 6.230 9.029 -10.142 716 HE ARG 91 HE ARG 91 7.823 9.035 -12.411 717 1HH1 ARG 91 1HH1 ARG 91 6.067 11.493 -10.468 718 2HH1 ARG 91 2HH1 ARG 91 7.213 12.685 -10.791 719 1HH2 ARG 91 1HH2 ARG 91 9.370 10.784 -12.804 720 2HH2 ARG 91 2HH2 ARG 91 9.084 12.304 -12.111 721 H GLU 92 H GLU 92 6.816 6.926 -7.890 722 HA GLU 92 HA GLU 92 7.358 8.484 -6.341 723 1HB GLU 92 2HB GLU 92 7.283 9.978 -8.376 724 2HB GLU 92 1HB GLU 92 5.611 10.326 -8.018 725 1HG GLU 92 2HG GLU 92 6.211 11.455 -6.012 726 2HG GLU 92 1HG GLU 92 7.890 10.925 -6.161 727 H THR 93 H THR 93 4.297 9.835 -6.889 728 HA THR 93 HA THR 93 2.444 8.546 -5.507 729 HB THR 93 HB THR 93 3.943 8.288 -3.486 730 HG1 THR 93 1HG THR 93 2.024 9.964 -2.495 731 1HG2 THR 93 1HG2 THR 93 3.546 11.263 -3.217 732 2HG2 THR 93 2HG2 THR 93 5.083 10.482 -3.606 733 3HG2 THR 93 3HG2 THR 93 4.337 10.236 -2.022 734 H LEU 94 H LEU 94 0.605 9.655 -5.365 735 HA LEU 94 HA LEU 94 0.691 12.574 -5.259 736 1HB LEU 94 2HB LEU 94 -1.479 10.667 -6.215 737 2HB LEU 94 1HB LEU 94 -1.796 12.348 -5.869 738 HG LEU 94 HG LEU 94 -1.625 12.087 -8.224 739 1HD1 LEU 94 1HD1 LEU 94 0.882 13.373 -7.197 740 2HD1 LEU 94 2HD1 LEU 94 -0.708 14.117 -7.332 741 3HD1 LEU 94 3HD1 LEU 94 0.159 13.623 -8.787 742 1HD2 LEU 94 1HD2 LEU 94 -0.374 10.019 -8.338 743 2HD2 LEU 94 2HD2 LEU 94 1.081 10.841 -7.767 744 3HD2 LEU 94 3HD2 LEU 94 0.391 11.251 -9.340 745 HA PRO 95 HA PRO 95 -0.601 12.346 -1.135 746 1HB PRO 95 2HB PRO 95 -3.033 14.000 -1.502 747 2HB PRO 95 1HB PRO 95 -1.616 14.286 -0.489 748 1HG PRO 95 2HG PRO 95 -2.016 15.666 -2.749 749 2HG PRO 95 1HG PRO 95 -0.390 15.203 -2.212 750 1HD PRO 95 2HD PRO 95 -2.108 13.985 -4.336 751 2HD PRO 95 1HD PRO 95 -0.358 14.274 -4.338 752 H GLU 96 H GLU 96 -4.001 12.703 -2.152 753 HA GLU 96 HA GLU 96 -4.659 10.013 -2.036 754 1HB GLU 96 2HB GLU 96 -5.771 9.971 0.255 755 2HB GLU 96 1HB GLU 96 -4.015 10.065 0.321 756 1HG GLU 96 2HG GLU 96 -4.930 11.421 2.013 757 2HG GLU 96 1HG GLU 96 -4.338 12.515 0.764 758 HA PRO 97 HA PRO 97 -8.643 11.097 -3.697 759 1HB PRO 97 2HB PRO 97 -10.409 10.349 -1.642 760 2HB PRO 97 1HB PRO 97 -9.890 9.359 -3.014 761 1HG PRO 97 2HG PRO 97 -8.795 9.497 -0.238 762 2HG PRO 97 1HG PRO 97 -9.035 8.082 -1.277 763 1HD PRO 97 2HD PRO 97 -6.613 8.965 -1.015 764 2HD PRO 97 1HD PRO 97 -7.210 8.641 -2.640 765 H ASN 98 H ASN 98 -9.183 11.882 -0.189 766 HA ASN 98 HA ASN 98 -9.975 14.621 -0.825 767 1HB ASN 98 2HB ASN 98 -11.829 13.279 -1.836 768 2HB ASN 98 1HB ASN 98 -12.123 12.575 -0.254 769 1HD2 ASN 98 1HD2 ASN 98 -14.211 13.285 -0.149 770 2HD2 ASN 98 2HD2 ASN 98 -14.648 14.944 0.072 771 H SER 99 H SER 99 -8.566 12.795 1.250 772 HA SER 99 HA SER 99 -8.257 12.505 3.372 773 1HB SER 99 2HB SER 99 -8.044 14.988 3.422 774 2HB SER 99 1HB SER 99 -9.772 15.123 3.721 775 HG SER 99 HG SER 99 -7.781 14.761 5.432 776 H GLN 100 H GLN 100 -9.524 10.695 3.128 777 HA GLN 100 HA GLN 100 -12.328 10.633 3.599 778 1HB GLN 100 2HB GLN 100 -10.335 8.409 3.840 779 2HB GLN 100 1HB GLN 100 -12.078 8.211 3.751 780 1HG GLN 100 2HG GLN 100 -12.053 9.206 1.542 781 2HG GLN 100 1HG GLN 100 -10.288 9.340 1.651 782 1HE2 GLN 100 1HE2 GLN 100 -9.048 7.461 1.577 783 2HE2 GLN 100 2HE2 GLN 100 -9.642 5.992 0.964 784 H GLY 101 H GLY 101 -9.576 9.680 5.615 785 1HA GLY 101 2HA GLY 101 -9.382 9.527 7.922 786 2HA GLY 101 1HA GLY 101 -10.825 10.521 8.020 787 H GLN 102 H GLN 102 -11.324 7.742 6.152 788 HA GLN 102 HA GLN 102 -13.075 6.714 8.163 789 1HB GLN 102 2HB GLN 102 -12.489 5.695 5.392 790 2HB GLN 102 1HB GLN 102 -13.674 4.983 6.477 791 1HG GLN 102 2HG GLN 102 -14.837 7.180 6.536 792 2HG GLN 102 1HG GLN 102 -13.719 7.744 5.292 793 1HE2 GLN 102 1HE2 GLN 102 -16.323 5.664 6.041 794 2HE2 GLN 102 2HE2 GLN 102 -16.790 5.234 4.434 795 H ARG 103 H ARG 103 -12.438 5.562 9.700 796 HA ARG 103 HA ARG 103 -10.833 3.209 9.251 797 1HB ARG 103 2HB ARG 103 -9.304 3.841 11.182 798 2HB ARG 103 1HB ARG 103 -9.034 4.674 9.659 799 1HG ARG 103 2HG ARG 103 -10.305 6.601 10.543 800 2HG ARG 103 1HG ARG 103 -10.432 5.756 12.090 801 1HD ARG 103 2HD ARG 103 -8.073 5.762 12.373 802 2HD ARG 103 1HD ARG 103 -7.829 6.346 10.726 803 HE ARG 103 HE ARG 103 -9.393 8.197 12.067 804 1HH1 ARG 103 1HH1 ARG 103 -6.136 6.897 12.273 805 2HH1 ARG 103 2HH1 ARG 103 -5.432 8.357 12.820 806 1HH2 ARG 103 1HH2 ARG 103 -8.424 10.224 12.762 807 2HH2 ARG 103 2HH2 ARG 103 -6.758 10.286 13.076 808 H ASN 104 H ASN 104 -13.538 4.028 10.050 809 HA ASN 104 HA ASN 104 -13.683 2.661 12.631 810 1HB ASN 104 2HB ASN 104 -14.595 4.947 12.695 811 2HB ASN 104 1HB ASN 104 -15.586 4.654 11.292 812 1HD2 ASN 104 1HD2 ASN 104 -17.486 5.140 12.317 813 2HD2 ASN 104 2HD2 ASN 104 -18.186 4.190 13.559 814 H ARG 105 H ARG 105 -15.968 1.429 12.634 815 HA ARG 105 HA ARG 105 -15.755 -0.498 10.559 816 1HB ARG 105 2HB ARG 105 -17.970 -0.148 12.583 817 2HB ARG 105 1HB ARG 105 -17.744 -1.555 11.546 818 1HG ARG 105 2HG ARG 105 -15.527 -1.914 12.576 819 2HG ARG 105 1HG ARG 105 -15.856 -0.575 13.677 820 1HD ARG 105 2HD ARG 105 -17.848 -1.764 14.454 821 2HD ARG 105 1HD ARG 105 -17.412 -3.104 13.383 822 HE ARG 105 HE ARG 105 -15.253 -2.463 15.095 823 1HH1 ARG 105 1HH1 ARG 105 -18.392 -4.129 15.169 824 2HH1 ARG 105 2HH1 ARG 105 -17.992 -5.120 16.486 825 1HH2 ARG 105 1HH2 ARG 105 -14.727 -3.833 16.926 826 2HH2 ARG 105 2HH2 ARG 105 -15.864 -4.954 17.510 827 H GLU 106 H GLU 106 -18.265 1.909 11.326 828 HA GLU 106 HA GLU 106 -19.610 3.197 10.039 829 1HB GLU 106 2HB GLU 106 -17.429 2.667 8.044 830 2HB GLU 106 1HB GLU 106 -18.673 3.898 7.848 831 1HG GLU 106 2HG GLU 106 -17.930 5.002 9.873 832 2HG GLU 106 1HG GLU 106 -16.754 3.712 10.122 833 H LYS 107 H LYS 107 -20.100 0.290 9.956 834 HA LYS 107 HA LYS 107 -21.770 0.308 7.583 835 1HB LYS 107 2HB LYS 107 -21.204 -2.072 7.148 836 2HB LYS 107 1HB LYS 107 -19.873 -0.952 6.902 837 1HG LYS 107 2HG LYS 107 -18.942 -1.598 9.091 838 2HG LYS 107 1HG LYS 107 -20.260 -2.751 9.293 839 1HD LYS 107 2HD LYS 107 -18.221 -3.861 8.499 840 2HD LYS 107 1HD LYS 107 -19.512 -3.962 7.303 841 1HE LYS 107 2HE LYS 107 -18.505 -2.083 6.072 842 2HE LYS 107 1HE LYS 107 -17.215 -1.999 7.269 843 1HZ LYS 107 1HZ LYS 107 -16.459 -4.168 6.587 844 2HZ LYS 107 2HZ LYS 107 -16.642 -3.238 5.194 845 3HZ LYS 107 3HZ LYS 107 -17.817 -4.381 5.633 846 H THR 108 H THR 108 -23.549 -1.160 7.698 847 HA THR 108 HA THR 108 -24.794 -0.989 10.179 848 HB THR 108 HB THR 108 -26.601 -2.311 8.985 849 HG1 THR 108 1HG THR 108 -26.179 -2.332 6.634 850 1HG2 THR 108 1HG2 THR 108 -25.484 0.162 7.663 851 2HG2 THR 108 2HG2 THR 108 -26.565 0.135 9.056 852 3HG2 THR 108 3HG2 THR 108 -27.131 -0.432 7.485 853 H GLY 109 H GLY 109 -25.091 -2.400 11.770 854 1HA GLY 109 2HA GLY 109 -25.244 -4.499 12.814 855 2HA GLY 109 1HA GLY 109 -24.470 -5.232 11.413 856 H GLU 110 H GLU 110 -22.260 -3.873 11.097 857 HA GLU 110 HA GLU 110 -20.142 -3.439 11.713 858 1HB GLU 110 2HB GLU 110 -21.144 -3.433 14.555 859 2HB GLU 110 1HB GLU 110 -19.530 -2.962 14.058 860 1HG GLU 110 2HG GLU 110 -20.471 -1.119 12.766 861 2HG GLU 110 1HG GLU 110 -22.097 -1.604 13.262 862 H SER 111 H SER 111 -19.382 -5.324 10.886 863 HA SER 111 HA SER 111 -17.943 -7.023 10.878 864 1HB SER 111 2HB SER 111 -17.800 -6.649 13.875 865 2HB SER 111 1HB SER 111 -16.691 -7.637 12.923 866 HG SER 111 HG SER 111 -15.617 -5.852 12.737 867 H ASN 112 H ASN 112 -20.614 -7.455 13.104 868 HA ASN 112 HA ASN 112 -20.261 -10.331 13.149 869 1HB ASN 112 2HB ASN 112 -22.299 -10.443 14.531 870 2HB ASN 112 1HB ASN 112 -21.121 -9.304 15.164 871 1HD2 ASN 112 1HD2 ASN 112 -21.591 -7.142 15.173 872 2HD2 ASN 112 2HD2 ASN 112 -23.154 -6.511 14.859 873 H CYS 113 H CYS 113 -21.720 -8.252 10.992 874 HA CYS 113 HA CYS 113 -23.858 -9.956 10.153 875 1HB CYS 113 2HB CYS 113 -22.473 -7.747 8.621 876 2HB CYS 113 1HB CYS 113 -24.031 -8.463 8.237 877 HG CYS 113 HG CYS 113 -24.362 -5.870 9.336 878 H CYS 114 H CYS 114 -23.117 -11.974 9.693 879 HA CYS 114 HA CYS 114 -21.518 -12.285 7.286 880 1HB CYS 114 2HB CYS 114 -20.642 -13.468 9.926 881 2HB CYS 114 1HB CYS 114 -19.939 -13.845 8.360 882 HG CYS 114 HG CYS 114 -19.924 -10.653 8.710 883 H VAL 115 H VAL 115 -22.982 -13.505 6.196 884 HA VAL 115 HA VAL 115 -24.344 -15.623 7.564 885 HB VAL 115 HB VAL 115 -25.401 -16.135 5.376 886 1HG1 VAL 115 1HG1 VAL 115 -26.419 -14.457 6.815 887 2HG1 VAL 115 2HG1 VAL 115 -26.663 -14.055 5.117 888 3HG1 VAL 115 3HG1 VAL 115 -25.442 -13.200 6.060 889 1HG2 VAL 115 1HG2 VAL 115 -23.536 -15.564 3.895 890 2HG2 VAL 115 2HG2 VAL 115 -23.725 -13.857 4.309 891 3HG2 VAL 115 3HG2 VAL 115 -25.003 -14.701 3.432 892 H ILE 116 H ILE 116 -23.813 -17.686 7.587 893 HA ILE 116 HA ILE 116 -22.567 -19.533 7.539 894 HB ILE 116 HB ILE 116 -21.782 -18.678 4.721 895 1HG1 ILE 116 2HG1 ILE 116 -24.011 -20.514 5.663 896 2HG1 ILE 116 1HG1 ILE 116 -24.226 -18.883 5.044 897 1HG2 ILE 116 1HG2 ILE 116 -21.656 -21.400 6.047 898 2HG2 ILE 116 2HG2 ILE 116 -20.274 -20.392 5.615 899 3HG2 ILE 116 3HG2 ILE 116 -21.296 -21.071 4.351 900 1HD1 ILE 116 1HD1 ILE 116 -23.145 -21.235 3.499 901 2HD1 ILE 116 2HD1 ILE 116 -23.370 -19.602 2.868 902 3HD1 ILE 116 3HD1 ILE 116 -24.767 -20.553 3.361 903 H LEU 117 H LEU 117 -21.263 -18.828 9.188 904 HA LEU 117 HA LEU 117 -18.493 -18.869 8.628 905 1HB LEU 117 2HB LEU 117 -19.088 -16.411 8.285 906 2HB LEU 117 1HB LEU 117 -19.602 -16.361 9.949 907 HG LEU 117 HG LEU 117 -16.747 -16.881 9.040 908 1HD1 LEU 117 1HD1 LEU 117 -18.005 -14.390 10.130 909 2HD1 LEU 117 2HD1 LEU 117 -17.457 -14.663 8.477 910 3HD1 LEU 117 3HD1 LEU 117 -16.287 -14.627 9.800 911 1HD2 LEU 117 1HD2 LEU 117 -17.817 -16.250 11.801 912 2HD2 LEU 117 2HD2 LEU 117 -16.118 -16.444 11.368 913 3HD2 LEU 117 3HD2 LEU 117 -17.214 -17.820 11.270 Start of MODEL 11 1 H SER 2 H SER 2 -4.539 -12.878 13.713 2 HA SER 2 HA SER 2 -5.717 -14.580 11.694 3 1HB SER 2 2HB SER 2 -6.342 -15.975 13.685 4 2HB SER 2 1HB SER 2 -4.607 -15.723 13.470 5 HG SER 2 HG SER 2 -5.700 -13.769 14.962 6 H SER 3 H SER 3 -7.678 -14.097 10.961 7 HA SER 3 HA SER 3 -9.741 -13.254 12.799 8 1HB SER 3 2HB SER 3 -8.971 -11.577 10.389 9 2HB SER 3 1HB SER 3 -10.340 -11.279 11.460 10 HG SER 3 HG SER 3 -8.360 -11.469 13.053 11 H ASN 4 H ASN 4 -11.679 -14.086 12.156 12 HA ASN 4 HA ASN 4 -11.762 -15.734 9.817 13 1HB ASN 4 2HB ASN 4 -13.973 -14.943 11.742 14 2HB ASN 4 1HB ASN 4 -14.166 -16.085 10.425 15 1HD2 ASN 4 1HD2 ASN 4 -14.479 -16.421 13.279 16 2HD2 ASN 4 2HD2 ASN 4 -13.448 -17.706 13.757 17 H VAL 5 H VAL 5 -12.771 -15.326 7.934 18 HA VAL 5 HA VAL 5 -13.398 -12.530 7.503 19 HB VAL 5 HB VAL 5 -12.913 -14.702 5.476 20 1HG1 VAL 5 1HG1 VAL 5 -12.595 -12.809 3.914 21 2HG1 VAL 5 2HG1 VAL 5 -13.024 -11.704 5.228 22 3HG1 VAL 5 3HG1 VAL 5 -14.214 -12.854 4.628 23 1HG2 VAL 5 1HG2 VAL 5 -10.971 -12.624 6.498 24 2HG2 VAL 5 2HG2 VAL 5 -10.694 -13.721 5.138 25 3HG2 VAL 5 3HG2 VAL 5 -10.889 -14.368 6.763 26 HA PRO 6 HA PRO 6 -17.642 -14.039 7.261 27 1HB PRO 6 2HB PRO 6 -18.794 -11.621 7.238 28 2HB PRO 6 1HB PRO 6 -18.134 -12.318 8.730 29 1HG PRO 6 2HG PRO 6 -16.983 -10.259 6.899 30 2HG PRO 6 1HG PRO 6 -16.958 -10.310 8.670 31 1HD PRO 6 2HD PRO 6 -14.855 -11.047 7.088 32 2HD PRO 6 1HD PRO 6 -15.123 -11.684 8.714 33 H ALA 7 H ALA 7 -19.510 -13.482 5.796 34 HA ALA 7 HA ALA 7 -18.652 -13.453 3.075 35 1HB ALA 7 1HB ALA 7 -20.368 -14.982 3.888 36 2HB ALA 7 2HB ALA 7 -20.992 -13.926 2.619 37 3HB ALA 7 3HB ALA 7 -21.389 -13.603 4.311 38 H ASP 8 H ASP 8 -18.356 -11.045 4.627 39 HA ASP 8 HA ASP 8 -19.861 -9.224 2.912 40 1HB ASP 8 2HB ASP 8 -20.964 -9.148 5.068 41 2HB ASP 8 1HB ASP 8 -19.429 -8.932 5.893 42 H MET 9 H MET 9 -16.916 -10.258 4.166 43 HA MET 9 HA MET 9 -15.554 -7.745 3.404 44 1HB MET 9 2HB MET 9 -14.741 -9.720 5.544 45 2HB MET 9 1HB MET 9 -13.800 -8.332 5.037 46 1HG MET 9 2HG MET 9 -16.529 -8.179 6.294 47 2HG MET 9 1HG MET 9 -14.990 -8.032 7.159 48 1HE MET 9 1HE MET 9 -13.461 -5.982 7.144 49 2HE MET 9 2HE MET 9 -13.600 -4.653 5.991 50 3HE MET 9 3HE MET 9 -13.149 -6.258 5.423 51 H ILE 10 H ILE 10 -13.464 -8.028 2.432 52 HA ILE 10 HA ILE 10 -12.965 -10.741 1.555 53 HB ILE 10 HB ILE 10 -11.974 -9.771 -0.589 54 1HG1 ILE 10 2HG1 ILE 10 -13.137 -7.605 -1.327 55 2HG1 ILE 10 1HG1 ILE 10 -13.394 -7.356 0.396 56 1HG2 ILE 10 1HG2 ILE 10 -14.903 -9.475 -0.164 57 2HG2 ILE 10 2HG2 ILE 10 -14.031 -10.930 -0.722 58 3HG2 ILE 10 3HG2 ILE 10 -14.077 -9.456 -1.713 59 1HD1 ILE 10 1HD1 ILE 10 -10.962 -7.332 0.725 60 2HD1 ILE 10 2HD1 ILE 10 -11.491 -6.138 -0.507 61 3HD1 ILE 10 3HD1 ILE 10 -10.788 -7.661 -1.012 62 H ASN 11 H ASN 11 -10.867 -11.487 1.487 63 HA ASN 11 HA ASN 11 -9.101 -9.985 3.246 64 1HB ASN 11 2HB ASN 11 -9.552 -12.350 3.771 65 2HB ASN 11 1HB ASN 11 -8.967 -12.816 2.206 66 1HD2 ASN 11 1HD2 ASN 11 -7.258 -10.338 4.082 67 2HD2 ASN 11 2HD2 ASN 11 -5.917 -11.356 4.431 68 H LEU 12 H LEU 12 -7.732 -8.653 2.339 69 HA LEU 12 HA LEU 12 -6.793 -9.316 -0.337 70 1HB LEU 12 2HB LEU 12 -8.342 -7.549 -0.460 71 2HB LEU 12 1HB LEU 12 -7.614 -6.723 0.895 72 HG LEU 12 HG LEU 12 -5.644 -6.243 -0.453 73 1HD1 LEU 12 1HD1 LEU 12 -7.134 -7.555 -2.713 74 2HD1 LEU 12 2HD1 LEU 12 -5.607 -8.068 -1.930 75 3HD1 LEU 12 3HD1 LEU 12 -5.662 -6.576 -2.838 76 1HD2 LEU 12 1HD2 LEU 12 -8.253 -5.406 -1.658 77 2HD2 LEU 12 2HD2 LEU 12 -6.701 -4.622 -1.944 78 3HD2 LEU 12 3HD2 LEU 12 -7.402 -4.632 -0.320 79 H ARG 13 H ARG 13 -4.726 -9.372 -0.631 80 HA ARG 13 HA ARG 13 -2.924 -8.255 1.385 81 1HB ARG 13 2HB ARG 13 -2.764 -10.697 0.860 82 2HB ARG 13 1HB ARG 13 -2.360 -10.254 -0.785 83 1HG ARG 13 2HG ARG 13 -0.352 -9.172 -0.086 84 2HG ARG 13 1HG ARG 13 -0.759 -9.420 1.614 85 1HD ARG 13 2HD ARG 13 -0.782 -11.795 1.237 86 2HD ARG 13 1HD ARG 13 -0.262 -11.550 -0.436 87 HE ARG 13 HE ARG 13 1.425 -10.355 1.579 88 1HH1 ARG 13 1HH1 ARG 13 0.904 -13.261 -0.369 89 2HH1 ARG 13 2HH1 ARG 13 2.507 -13.813 -0.202 90 1HH2 ARG 13 1HH2 ARG 13 3.625 -11.131 1.801 91 2HH2 ARG 13 2HH2 ARG 13 4.065 -12.597 1.074 92 H LEU 14 H LEU 14 -2.048 -6.507 0.849 93 HA LEU 14 HA LEU 14 -1.999 -5.507 -1.920 94 1HB LEU 14 2HB LEU 14 -1.568 -3.955 0.708 95 2HB LEU 14 1HB LEU 14 -1.503 -3.265 -0.892 96 HG LEU 14 HG LEU 14 -3.454 -2.677 0.214 97 1HD1 LEU 14 1HD1 LEU 14 -3.583 -2.871 -2.164 98 2HD1 LEU 14 2HD1 LEU 14 -5.130 -3.322 -1.452 99 3HD1 LEU 14 3HD1 LEU 14 -4.031 -4.573 -2.047 100 1HD2 LEU 14 1HD2 LEU 14 -3.883 -4.507 1.741 101 2HD2 LEU 14 2HD2 LEU 14 -4.064 -5.598 0.387 102 3HD2 LEU 14 3HD2 LEU 14 -5.265 -4.320 0.638 103 H ILE 15 H ILE 15 -0.097 -5.597 -3.044 104 HA ILE 15 HA ILE 15 2.305 -5.827 -1.420 105 HB ILE 15 HB ILE 15 2.036 -6.381 -4.391 106 1HG1 ILE 15 2HG1 ILE 15 1.952 -8.340 -2.050 107 2HG1 ILE 15 1HG1 ILE 15 0.674 -7.980 -3.178 108 1HG2 ILE 15 1HG2 ILE 15 4.277 -5.811 -3.709 109 2HG2 ILE 15 2HG2 ILE 15 4.226 -7.569 -3.976 110 3HG2 ILE 15 3HG2 ILE 15 4.154 -6.899 -2.338 111 1HD1 ILE 15 1HD1 ILE 15 3.286 -9.263 -3.936 112 2HD1 ILE 15 2HD1 ILE 15 1.927 -8.944 -5.011 113 3HD1 ILE 15 3HD1 ILE 15 1.756 -10.103 -3.694 114 H LEU 16 H LEU 16 3.687 -4.257 -1.398 115 HA LEU 16 HA LEU 16 3.059 -1.811 -2.820 116 1HB LEU 16 2HB LEU 16 5.297 -2.409 -0.884 117 2HB LEU 16 1HB LEU 16 4.857 -0.825 -1.478 118 HG LEU 16 HG LEU 16 3.164 -2.575 0.307 119 1HD1 LEU 16 1HD1 LEU 16 5.077 -1.625 1.459 120 2HD1 LEU 16 2HD1 LEU 16 3.575 -0.879 2.000 121 3HD1 LEU 16 3HD1 LEU 16 4.638 -0.015 0.890 122 1HD2 LEU 16 1HD2 LEU 16 2.653 0.213 -0.745 123 2HD2 LEU 16 2HD2 LEU 16 1.690 -0.618 0.475 124 3HD2 LEU 16 3HD2 LEU 16 1.753 -1.247 -1.168 125 H VAL 17 H VAL 17 4.900 -0.584 -3.861 126 HA VAL 17 HA VAL 17 6.016 -2.136 -5.965 127 HB VAL 17 HB VAL 17 6.716 0.716 -5.148 128 1HG1 VAL 17 1HG1 VAL 17 7.090 -0.670 -7.806 129 2HG1 VAL 17 2HG1 VAL 17 8.370 -0.235 -6.677 130 3HG1 VAL 17 3HG1 VAL 17 7.435 1.028 -7.474 131 1HG2 VAL 17 1HG2 VAL 17 4.664 -0.264 -7.125 132 2HG2 VAL 17 2HG2 VAL 17 5.090 1.426 -6.840 133 3HG2 VAL 17 3HG2 VAL 17 4.325 0.480 -5.564 134 H SER 18 H SER 18 7.077 -1.377 -2.820 135 HA SER 18 HA SER 18 9.888 -1.614 -3.180 136 1HB SER 18 2HB SER 18 9.771 -1.894 -0.685 137 2HB SER 18 1HB SER 18 9.081 -0.372 -1.300 138 HG SER 18 HG SER 18 7.573 -1.105 0.017 139 H GLY 19 H GLY 19 7.359 -3.853 -3.232 140 1HA GLY 19 2HA GLY 19 7.554 -6.154 -3.496 141 2HA GLY 19 1HA GLY 19 9.207 -6.067 -2.887 142 H LYS 20 H LYS 20 7.351 -4.223 -0.905 143 HA LYS 20 HA LYS 20 7.412 -6.278 1.045 144 1HB LYS 20 2HB LYS 20 6.980 -3.316 1.256 145 2HB LYS 20 1HB LYS 20 6.531 -4.347 2.606 146 1HG LYS 20 2HG LYS 20 8.783 -3.373 2.865 147 2HG LYS 20 1HG LYS 20 8.824 -5.134 2.813 148 1HD LYS 20 2HD LYS 20 9.411 -4.986 0.418 149 2HD LYS 20 1HD LYS 20 9.447 -3.236 0.585 150 1HE LYS 20 2HE LYS 20 11.269 -3.375 2.145 151 2HE LYS 20 1HE LYS 20 11.185 -5.141 2.135 152 1HZ LYS 20 1HZ LYS 20 12.949 -4.346 0.683 153 2HZ LYS 20 2HZ LYS 20 11.840 -3.438 -0.213 154 3HZ LYS 20 3HZ LYS 20 11.736 -5.117 -0.200 155 H THR 21 H THR 21 5.635 -7.199 1.986 156 HA THR 21 HA THR 21 3.137 -6.631 0.565 157 HB THR 21 HB THR 21 2.567 -8.940 0.895 158 HG1 THR 21 1HG THR 21 4.374 -8.941 2.780 159 1HG2 THR 21 1HG2 THR 21 5.298 -8.579 -0.350 160 2HG2 THR 21 2HG2 THR 21 3.736 -8.377 -1.151 161 3HG2 THR 21 3HG2 THR 21 4.245 -9.970 -0.607 162 H LYS 22 H LYS 22 1.356 -6.267 1.725 163 HA LYS 22 HA LYS 22 1.316 -7.047 4.555 164 1HB LYS 22 2HB LYS 22 0.386 -4.361 3.506 165 2HB LYS 22 1HB LYS 22 0.083 -4.963 5.126 166 1HG LYS 22 2HG LYS 22 2.517 -4.992 5.537 167 2HG LYS 22 1HG LYS 22 2.768 -4.306 3.927 168 1HD LYS 22 2HD LYS 22 1.395 -2.375 4.549 169 2HD LYS 22 1HD LYS 22 1.178 -3.059 6.157 170 1HE LYS 22 2HE LYS 22 3.581 -2.910 6.551 171 2HE LYS 22 1HE LYS 22 3.810 -2.250 4.927 172 1HZ LYS 22 1HZ LYS 22 2.248 -1.022 7.118 173 2HZ LYS 22 2HZ LYS 22 2.344 -0.410 5.572 174 3HZ LYS 22 3HZ LYS 22 3.740 -0.462 6.549 175 H GLU 23 H GLU 23 -0.771 -7.560 5.350 176 HA GLU 23 HA GLU 23 -2.830 -7.756 3.259 177 1HB GLU 23 2HB GLU 23 -1.490 -9.886 3.514 178 2HB GLU 23 1HB GLU 23 -2.101 -9.974 5.153 179 1HG GLU 23 2HG GLU 23 -4.412 -9.941 4.108 180 2HG GLU 23 1HG GLU 23 -3.594 -10.155 2.598 181 H PHE 24 H PHE 24 -4.815 -7.230 4.022 182 HA PHE 24 HA PHE 24 -5.362 -7.315 6.884 183 1HB PHE 24 2HB PHE 24 -5.696 -4.815 5.214 184 2HB PHE 24 1HB PHE 24 -6.311 -5.011 6.834 185 HD1 PHE 24 1HD PHE 24 -3.409 -4.316 4.771 186 HD2 PHE 24 2HD PHE 24 -4.744 -4.992 8.749 187 HE1 PHE 24 1HE PHE 24 -1.314 -3.352 5.631 188 HE2 PHE 24 2HE PHE 24 -2.645 -4.029 9.612 189 HZ PHE 24 HZ PHE 24 -0.937 -3.212 8.055 190 H LEU 25 H LEU 25 -7.675 -7.095 7.287 191 HA LEU 25 HA LEU 25 -9.221 -8.182 5.118 192 1HB LEU 25 2HB LEU 25 -9.490 -8.865 7.544 193 2HB LEU 25 1HB LEU 25 -10.088 -7.256 7.873 194 HG LEU 25 HG LEU 25 -11.998 -7.663 6.401 195 1HD1 LEU 25 1HD1 LEU 25 -11.004 -9.298 4.906 196 2HD1 LEU 25 2HD1 LEU 25 -12.477 -9.908 5.662 197 3HD1 LEU 25 3HD1 LEU 25 -10.904 -10.460 6.238 198 1HD2 LEU 25 1HD2 LEU 25 -12.181 -8.063 8.798 199 2HD2 LEU 25 2HD2 LEU 25 -11.605 -9.716 8.576 200 3HD2 LEU 25 3HD2 LEU 25 -13.153 -9.223 7.891 201 H PHE 26 H PHE 26 -10.328 -6.897 3.702 202 HA PHE 26 HA PHE 26 -10.981 -4.171 4.536 203 1HB PHE 26 2HB PHE 26 -9.747 -5.009 1.894 204 2HB PHE 26 1HB PHE 26 -10.574 -3.479 2.108 205 HD1 PHE 26 1HD PHE 26 -7.438 -5.298 2.589 206 HD2 PHE 26 2HD PHE 26 -9.614 -1.789 3.685 207 HE1 PHE 26 1HE PHE 26 -5.389 -4.256 3.317 208 HE2 PHE 26 2HE PHE 26 -7.523 -0.745 4.437 209 HZ PHE 26 HZ PHE 26 -5.390 -1.988 4.238 210 H SER 27 H SER 27 -12.695 -3.225 3.006 211 HA SER 27 HA SER 27 -14.609 -5.367 2.693 212 1HB SER 27 2HB SER 27 -16.321 -3.599 2.532 213 2HB SER 27 1HB SER 27 -15.362 -3.400 3.984 214 HG SER 27 HG SER 27 -14.083 -1.846 2.511 215 HA PRO 28 HA PRO 28 -14.147 -5.456 -1.669 216 1HB PRO 28 2HB PRO 28 -16.733 -6.000 -2.439 217 2HB PRO 28 1HB PRO 28 -15.620 -7.188 -1.735 218 1HG PRO 28 2HG PRO 28 -17.714 -5.566 -0.335 219 2HG PRO 28 1HG PRO 28 -17.415 -7.312 -0.237 220 1HD PRO 28 2HD PRO 28 -16.495 -5.718 1.650 221 2HD PRO 28 1HD PRO 28 -15.480 -7.038 1.012 222 H ASN 29 H ASN 29 -16.051 -3.215 -0.045 223 HA ASN 29 HA ASN 29 -16.937 -1.614 -2.263 224 1HB ASN 29 2HB ASN 29 -16.850 -1.110 0.708 225 2HB ASN 29 1HB ASN 29 -17.486 0.040 -0.450 226 1HD2 ASN 29 1HD2 ASN 29 -19.442 -0.021 0.521 227 2HD2 ASN 29 2HD2 ASN 29 -20.573 -1.310 0.386 228 H ASP 30 H ASP 30 -14.089 -1.881 -0.322 229 HA ASP 30 HA ASP 30 -13.175 0.778 -0.586 230 1HB ASP 30 2HB ASP 30 -11.724 -1.753 0.171 231 2HB ASP 30 1HB ASP 30 -10.896 -0.207 0.032 232 H SER 31 H SER 31 -11.360 1.545 -1.719 233 HA SER 31 HA SER 31 -11.234 0.500 -4.444 234 1HB SER 31 2HB SER 31 -10.249 3.100 -3.252 235 2HB SER 31 1HB SER 31 -10.262 2.684 -4.965 236 HG SER 31 HG SER 31 -12.199 3.286 -5.047 237 H ALA 32 H ALA 32 -9.494 -0.627 -5.055 238 HA ALA 32 HA ALA 32 -7.394 -1.557 -3.470 239 1HB ALA 32 1HB ALA 32 -8.093 -2.455 -5.683 240 2HB ALA 32 2HB ALA 32 -6.342 -2.243 -5.526 241 3HB ALA 32 3HB ALA 32 -7.304 -1.054 -6.407 242 H SER 33 H SER 33 -7.173 1.202 -5.795 243 HA SER 33 HA SER 33 -4.486 1.781 -5.231 244 1HB SER 33 2HB SER 33 -5.238 3.990 -6.336 245 2HB SER 33 1HB SER 33 -5.209 2.542 -7.331 246 HG SER 33 HG SER 33 -7.112 3.688 -7.575 247 H ASP 34 H ASP 34 -7.460 2.815 -3.755 248 HA ASP 34 HA ASP 34 -6.406 4.926 -2.127 249 1HB ASP 34 2HB ASP 34 -8.822 4.742 -2.524 250 2HB ASP 34 1HB ASP 34 -8.826 3.141 -1.794 251 H ILE 35 H ILE 35 -7.098 1.530 -1.648 252 HA ILE 35 HA ILE 35 -6.245 1.247 1.008 253 HB ILE 35 HB ILE 35 -6.232 -0.813 -1.207 254 1HG1 ILE 35 2HG1 ILE 35 -8.290 -0.221 0.920 255 2HG1 ILE 35 1HG1 ILE 35 -8.448 0.153 -0.795 256 1HG2 ILE 35 1HG2 ILE 35 -6.166 -1.150 1.777 257 2HG2 ILE 35 2HG2 ILE 35 -4.815 -1.388 0.688 258 3HG2 ILE 35 3HG2 ILE 35 -6.233 -2.449 0.584 259 1HD1 ILE 35 1HD1 ILE 35 -9.678 -1.855 -0.214 260 2HD1 ILE 35 2HD1 ILE 35 -8.200 -2.584 0.407 261 3HD1 ILE 35 3HD1 ILE 35 -8.348 -2.226 -1.313 262 H ALA 36 H ALA 36 -4.431 0.935 -2.029 263 HA ALA 36 HA ALA 36 -1.980 0.076 -1.195 264 1HB ALA 36 1HB ALA 36 -1.031 1.315 -3.061 265 2HB ALA 36 2HB ALA 36 -2.474 2.322 -3.137 266 3HB ALA 36 3HB ALA 36 -2.584 0.614 -3.534 267 H LYS 37 H LYS 37 -3.313 3.331 -0.880 268 HA LYS 37 HA LYS 37 -0.957 4.467 0.215 269 1HB LYS 37 2HB LYS 37 -3.773 5.269 -0.183 270 2HB LYS 37 1HB LYS 37 -2.828 6.238 0.922 271 1HG LYS 37 2HG LYS 37 -1.989 5.626 -1.904 272 2HG LYS 37 1HG LYS 37 -2.932 7.055 -1.453 273 1HD LYS 37 2HD LYS 37 -1.179 7.775 0.047 274 2HD LYS 37 1HD LYS 37 -0.243 6.326 -0.291 275 1HE LYS 37 2HE LYS 37 0.133 7.017 -2.536 276 2HE LYS 37 1HE LYS 37 -1.013 8.356 -2.380 277 1HZ LYS 37 1HZ LYS 37 0.377 9.433 -0.871 278 2HZ LYS 37 2HZ LYS 37 1.451 8.934 -2.139 279 3HZ LYS 37 3HZ LYS 37 1.408 8.118 -0.704 280 H HIS 38 H HIS 38 -3.880 3.100 1.488 281 HA HIS 38 HA HIS 38 -3.477 3.765 4.219 282 1HB HIS 38 2HB HIS 38 -5.693 3.167 3.323 283 2HB HIS 38 1HB HIS 38 -5.131 1.538 2.980 284 HD1 HIS 38 1HD HIS 38 -6.691 3.590 5.597 285 HD2 HIS 38 2HD HIS 38 -4.666 -0.019 5.366 286 HE1 HIS 38 1HE HIS 38 -7.223 2.401 7.719 287 HE2 HIS 38 2HE HIS 38 -5.653 0.468 7.719 288 H VAL 39 H VAL 39 -2.661 0.879 2.336 289 HA VAL 39 HA VAL 39 -1.562 -0.484 4.601 290 HB VAL 39 HB VAL 39 -0.785 -2.181 2.984 291 1HG1 VAL 39 1HG1 VAL 39 -3.018 -2.304 4.001 292 2HG1 VAL 39 2HG1 VAL 39 -3.055 -2.913 2.356 293 3HG1 VAL 39 3HG1 VAL 39 -3.674 -1.311 2.707 294 1HG2 VAL 39 1HG2 VAL 39 -0.394 -0.674 1.085 295 2HG2 VAL 39 2HG2 VAL 39 -2.146 -0.392 1.008 296 3HG2 VAL 39 3HG2 VAL 39 -1.502 -1.988 0.661 297 H TYR 40 H TYR 40 -0.326 1.553 2.108 298 HA TYR 40 HA TYR 40 2.355 1.012 2.042 299 1HB TYR 40 2HB TYR 40 1.288 2.765 0.676 300 2HB TYR 40 1HB TYR 40 1.134 3.782 2.102 301 HD1 TYR 40 1HD TYR 40 3.572 2.202 -0.176 302 HD2 TYR 40 2HD TYR 40 2.943 5.141 2.828 303 HE1 TYR 40 1HE TYR 40 5.798 3.115 -0.618 304 HE2 TYR 40 2HE TYR 40 5.176 6.068 2.397 305 HH TYR 40 HH TYR 40 7.243 5.328 1.497 306 H ASP 41 H ASP 41 0.772 3.128 4.452 307 HA ASP 41 HA ASP 41 2.235 2.218 6.642 308 1HB ASP 41 2HB ASP 41 4.177 3.382 5.496 309 2HB ASP 41 1HB ASP 41 3.302 4.898 5.691 310 H ASN 42 H ASN 42 1.244 5.372 5.402 311 HA ASN 42 HA ASN 42 -0.307 5.857 7.838 312 1HB ASN 42 2HB ASN 42 0.463 7.738 5.577 313 2HB ASN 42 1HB ASN 42 -0.428 8.208 7.017 314 1HD2 ASN 42 1HD2 ASN 42 0.670 8.308 9.012 315 2HD2 ASN 42 2HD2 ASN 42 2.397 8.361 9.072 316 H TRP 43 H TRP 43 -2.134 7.698 6.687 317 HA TRP 43 HA TRP 43 -3.794 5.907 5.093 318 1HB TRP 43 2HB TRP 43 -5.723 7.232 6.049 319 2HB TRP 43 1HB TRP 43 -4.831 6.297 7.242 320 HD1 TRP 43 HD TRP 43 -3.247 7.707 8.944 321 HE1 TRP 43 1HE TRP 43 -3.407 10.125 9.789 322 HE3 TRP 43 3HE TRP 43 -6.424 9.598 5.414 323 HZ2 TRP 43 2HZ TRP 43 -4.705 12.514 9.076 324 HZ3 TRP 43 3HZ TRP 43 -7.077 11.959 5.575 325 HH2 TRP 43 HH TRP 43 -6.240 13.388 7.364 326 HA PRO 44 HA PRO 44 -3.387 8.829 1.732 327 1HB PRO 44 2HB PRO 44 -5.992 8.475 0.727 328 2HB PRO 44 1HB PRO 44 -4.547 7.615 0.201 329 1HG PRO 44 2HG PRO 44 -6.696 6.741 2.035 330 2HG PRO 44 1HG PRO 44 -5.656 5.779 0.988 331 1HD PRO 44 2HD PRO 44 -5.338 5.833 3.656 332 2HD PRO 44 1HD PRO 44 -3.990 5.637 2.548 333 H MET 45 H MET 45 -3.383 10.826 2.312 334 HA MET 45 HA MET 45 -5.619 12.003 3.737 335 1HB MET 45 2HB MET 45 -2.996 13.264 2.939 336 2HB MET 45 1HB MET 45 -4.185 13.948 4.037 337 1HG MET 45 2HG MET 45 -3.842 12.040 5.553 338 2HG MET 45 1HG MET 45 -2.588 11.436 4.476 339 1HE MET 45 1HE MET 45 -0.808 11.325 6.343 340 2HE MET 45 2HE MET 45 -2.035 11.819 7.509 341 3HE MET 45 3HE MET 45 -0.470 12.634 7.473 342 H ASP 46 H ASP 46 -6.628 13.913 3.081 343 HA ASP 46 HA ASP 46 -7.523 13.841 0.415 344 1HB ASP 46 2HB ASP 46 -8.928 14.572 2.252 345 2HB ASP 46 1HB ASP 46 -7.865 15.941 2.545 346 H TRP 47 H TRP 47 -5.257 16.000 2.059 347 HA TRP 47 HA TRP 47 -5.039 17.594 -0.359 348 1HB TRP 47 2HB TRP 47 -3.775 19.179 0.986 349 2HB TRP 47 1HB TRP 47 -5.303 18.782 1.758 350 HD1 TRP 47 HD TRP 47 -1.542 18.453 2.196 351 HE1 TRP 47 1HE TRP 47 -1.024 17.700 4.570 352 HE3 TRP 47 3HE TRP 47 -6.300 17.437 3.757 353 HZ2 TRP 47 2HZ TRP 47 -2.440 16.795 6.841 354 HZ3 TRP 47 3HZ TRP 47 -6.622 16.630 6.059 355 HH2 TRP 47 HH TRP 47 -4.738 16.317 7.561 356 H GLU 48 H GLU 48 -3.491 14.839 0.720 357 HA GLU 48 HA GLU 48 -0.788 15.651 0.399 358 1HB GLU 48 2HB GLU 48 -0.152 13.304 0.420 359 2HB GLU 48 1HB GLU 48 -1.300 13.631 1.699 360 1HG GLU 48 2HG GLU 48 -3.040 12.547 0.521 361 2HG GLU 48 1HG GLU 48 -2.071 12.483 -0.949 362 H GLU 49 H GLU 49 -3.092 14.163 -1.755 363 HA GLU 49 HA GLU 49 -3.165 13.729 -3.912 364 1HB GLU 49 2HB GLU 49 -1.043 15.864 -4.152 365 2HB GLU 49 1HB GLU 49 -1.837 15.110 -5.522 366 1HG GLU 49 2HG GLU 49 -3.993 15.974 -4.699 367 2HG GLU 49 1HG GLU 49 -3.134 16.776 -3.382 368 H GLU 50 H GLU 50 0.329 14.331 -3.663 369 HA GLU 50 HA GLU 50 2.022 13.277 -4.722 370 1HB GLU 50 2HB GLU 50 1.893 12.164 -2.473 371 2HB GLU 50 1HB GLU 50 0.927 10.887 -3.197 372 1HG GLU 50 2HG GLU 50 2.806 10.254 -4.623 373 2HG GLU 50 1HG GLU 50 3.770 11.561 -3.959 374 H GLN 51 H GLN 51 0.840 13.658 -6.610 375 HA GLN 51 HA GLN 51 0.583 11.521 -8.441 376 1HB GLN 51 2HB GLN 51 -1.445 11.206 -6.933 377 2HB GLN 51 1HB GLN 51 -1.975 12.799 -7.418 378 1HG GLN 51 2HG GLN 51 -2.199 12.023 -9.707 379 2HG GLN 51 1HG GLN 51 -1.631 10.425 -9.220 380 1HE2 GLN 51 1HE2 GLN 51 -3.488 9.355 -9.739 381 2HE2 GLN 51 2HE2 GLN 51 -4.975 9.587 -8.897 382 H VAL 52 H VAL 52 -0.803 14.534 -7.351 383 HA VAL 52 HA VAL 52 -0.983 16.616 -8.114 384 HB VAL 52 HB VAL 52 1.826 16.143 -9.108 385 1HG1 VAL 52 1HG1 VAL 52 2.152 18.551 -8.727 386 2HG1 VAL 52 2HG1 VAL 52 0.447 18.705 -8.306 387 3HG1 VAL 52 3HG1 VAL 52 0.912 18.235 -9.941 388 1HG2 VAL 52 1HG2 VAL 52 1.630 15.471 -6.792 389 2HG2 VAL 52 2HG2 VAL 52 0.843 16.991 -6.388 390 3HG2 VAL 52 3HG2 VAL 52 2.533 16.983 -6.890 391 H SER 53 H SER 53 -2.617 16.083 -9.567 392 HA SER 53 HA SER 53 -3.736 16.468 -11.452 393 1HB SER 53 2HB SER 53 -2.495 18.610 -11.430 394 2HB SER 53 1HB SER 53 -1.213 17.875 -12.382 395 HG SER 53 HG SER 53 -3.718 17.606 -13.469 396 H SER 54 H SER 54 -1.289 14.290 -11.347 397 HA SER 54 HA SER 54 -1.794 13.394 -14.092 398 1HB SER 54 2HB SER 54 0.616 12.765 -12.367 399 2HB SER 54 1HB SER 54 0.404 12.396 -14.081 400 HG SER 54 HG SER 54 0.673 14.906 -12.840 401 HA PRO 55 HA PRO 55 -3.751 10.543 -11.048 402 1HB PRO 55 2HB PRO 55 -5.846 9.819 -12.536 403 2HB PRO 55 1HB PRO 55 -5.818 11.311 -11.588 404 1HG PRO 55 2HG PRO 55 -5.362 10.915 -14.515 405 2HG PRO 55 1HG PRO 55 -6.245 12.214 -13.695 406 1HD PRO 55 2HD PRO 55 -3.714 12.491 -14.638 407 2HD PRO 55 1HD PRO 55 -4.319 13.391 -13.234 408 H ASN 56 H ASN 56 -2.659 10.034 -14.200 409 HA ASN 56 HA ASN 56 -3.341 7.338 -14.638 410 1HB ASN 56 2HB ASN 56 -1.624 7.368 -16.397 411 2HB ASN 56 1HB ASN 56 -2.641 8.798 -16.450 412 1HD2 ASN 56 1HD2 ASN 56 0.542 7.579 -15.877 413 2HD2 ASN 56 2HD2 ASN 56 1.339 9.112 -15.805 414 H ILE 57 H ILE 57 -1.022 8.649 -12.462 415 HA ILE 57 HA ILE 57 0.711 6.412 -12.563 416 HB ILE 57 HB ILE 57 1.879 7.425 -10.707 417 1HG1 ILE 57 2HG1 ILE 57 1.101 9.851 -10.014 418 2HG1 ILE 57 1HG1 ILE 57 -0.470 9.316 -10.585 419 1HG2 ILE 57 1HG2 ILE 57 2.518 9.554 -11.806 420 2HG2 ILE 57 2HG2 ILE 57 1.111 9.396 -12.858 421 3HG2 ILE 57 3HG2 ILE 57 2.402 8.198 -12.924 422 1HD1 ILE 57 1HD1 ILE 57 1.107 8.030 -8.344 423 2HD1 ILE 57 2HD1 ILE 57 -0.485 7.534 -8.906 424 3HD1 ILE 57 3HD1 ILE 57 -0.272 9.112 -8.156 425 H LEU 58 H LEU 58 -2.240 7.080 -11.016 426 HA LEU 58 HA LEU 58 -1.868 5.149 -8.816 427 1HB LEU 58 2HB LEU 58 -3.000 7.412 -8.563 428 2HB LEU 58 1HB LEU 58 -4.253 6.810 -9.620 429 HG LEU 58 HG LEU 58 -4.733 5.031 -7.976 430 1HD1 LEU 58 1HD1 LEU 58 -2.751 6.557 -6.283 431 2HD1 LEU 58 2HD1 LEU 58 -2.582 4.891 -6.849 432 3HD1 LEU 58 3HD1 LEU 58 -3.829 5.307 -5.677 433 1HD2 LEU 58 1HD2 LEU 58 -4.895 7.862 -6.934 434 2HD2 LEU 58 2HD2 LEU 58 -5.856 6.499 -6.360 435 3HD2 LEU 58 3HD2 LEU 58 -6.051 7.080 -8.013 436 H ARG 59 H ARG 59 -1.806 3.171 -9.663 437 HA ARG 59 HA ARG 59 -4.205 2.308 -11.080 438 1HB ARG 59 2HB ARG 59 -1.388 1.616 -11.910 439 2HB ARG 59 1HB ARG 59 -2.858 0.888 -12.541 440 1HG ARG 59 2HG ARG 59 -2.134 3.802 -12.824 441 2HG ARG 59 1HG ARG 59 -1.858 2.574 -14.061 442 1HD ARG 59 2HD ARG 59 -4.255 2.178 -14.203 443 2HD ARG 59 1HD ARG 59 -4.533 3.344 -12.910 444 HE ARG 59 HE ARG 59 -3.097 4.647 -14.864 445 1HH1 ARG 59 1HH1 ARG 59 -6.213 3.021 -14.742 446 2HH1 ARG 59 2HH1 ARG 59 -7.008 4.121 -15.763 447 1HH2 ARG 59 1HH2 ARG 59 -4.198 6.177 -16.330 448 2HH2 ARG 59 2HH2 ARG 59 -5.843 5.941 -16.655 449 H LEU 60 H LEU 60 -4.439 -0.009 -11.014 450 HA LEU 60 HA LEU 60 -3.094 -1.183 -8.714 451 1HB LEU 60 2HB LEU 60 -5.258 -2.175 -8.057 452 2HB LEU 60 1HB LEU 60 -5.260 -0.428 -7.970 453 HG LEU 60 HG LEU 60 -6.284 -0.660 -10.378 454 1HD1 LEU 60 1HD1 LEU 60 -7.123 -3.263 -9.162 455 2HD1 LEU 60 2HD1 LEU 60 -6.122 -3.022 -10.595 456 3HD1 LEU 60 3HD1 LEU 60 -7.815 -2.524 -10.608 457 1HD2 LEU 60 1HD2 LEU 60 -8.077 -1.195 -8.039 458 2HD2 LEU 60 2HD2 LEU 60 -8.372 -0.240 -9.516 459 3HD2 LEU 60 3HD2 LEU 60 -7.260 0.346 -8.301 460 H ILE 61 H ILE 61 -2.578 -3.297 -8.923 461 HA ILE 61 HA ILE 61 -3.108 -4.507 -11.523 462 HB ILE 61 HB ILE 61 -0.873 -4.850 -9.557 463 1HG1 ILE 61 2HG1 ILE 61 -0.856 -3.857 -12.383 464 2HG1 ILE 61 1HG1 ILE 61 -0.821 -2.826 -10.965 465 1HG2 ILE 61 1HG2 ILE 61 -1.399 -7.016 -10.577 466 2HG2 ILE 61 2HG2 ILE 61 0.135 -6.415 -11.215 467 3HG2 ILE 61 3HG2 ILE 61 -1.334 -6.290 -12.184 468 1HD1 ILE 61 1HD1 ILE 61 1.274 -4.834 -11.805 469 2HD1 ILE 61 2HD1 ILE 61 1.354 -3.850 -10.342 470 3HD1 ILE 61 3HD1 ILE 61 1.404 -3.081 -11.928 471 H TYR 62 H TYR 62 -4.298 -6.245 -11.471 472 HA TYR 62 HA TYR 62 -4.858 -7.380 -8.867 473 1HB TYR 62 2HB TYR 62 -6.856 -6.601 -10.073 474 2HB TYR 62 1HB TYR 62 -6.404 -7.556 -11.472 475 HD1 TYR 62 1HD TYR 62 -8.187 -9.034 -11.744 476 HD2 TYR 62 2HD TYR 62 -6.481 -8.553 -7.893 477 HE1 TYR 62 1HE TYR 62 -9.568 -10.881 -10.916 478 HE2 TYR 62 2HE TYR 62 -7.835 -10.393 -7.050 479 HH TYR 62 HH TYR 62 -9.512 -12.479 -9.125 480 H GLN 63 H GLN 63 -3.001 -8.488 -8.681 481 HA GLN 63 HA GLN 63 -1.650 -10.004 -8.635 482 1HB GLN 63 2HB GLN 63 -3.660 -11.441 -8.605 483 2HB GLN 63 1HB GLN 63 -3.482 -11.642 -10.350 484 1HG GLN 63 2HG GLN 63 -1.262 -12.239 -9.971 485 2HG GLN 63 1HG GLN 63 -1.513 -12.316 -8.260 486 1HE2 GLN 63 1HE2 GLN 63 -2.279 -13.985 -11.207 487 2HE2 GLN 63 2HE2 GLN 63 -3.027 -15.371 -10.498 488 H GLY 64 H GLY 64 -2.823 -9.717 -11.954 489 1HA GLY 64 2HA GLY 64 0.007 -9.698 -12.766 490 2HA GLY 64 1HA GLY 64 -1.192 -10.599 -13.684 491 H ARG 65 H ARG 65 -3.257 -8.685 -13.741 492 HA ARG 65 HA ARG 65 -1.954 -6.722 -15.499 493 1HB ARG 65 2HB ARG 65 -4.054 -6.662 -16.788 494 2HB ARG 65 1HB ARG 65 -3.301 -8.246 -16.782 495 1HG ARG 65 2HG ARG 65 -4.919 -8.979 -15.085 496 2HG ARG 65 1HG ARG 65 -5.671 -7.383 -15.138 497 1HD ARG 65 2HD ARG 65 -6.186 -7.677 -17.494 498 2HD ARG 65 1HD ARG 65 -5.382 -9.242 -17.490 499 HE ARG 65 HE ARG 65 -7.340 -9.336 -15.546 500 1HH1 ARG 65 1HH1 ARG 65 -7.148 -8.931 -19.049 501 2HH1 ARG 65 2HH1 ARG 65 -8.621 -9.671 -19.397 502 1HH2 ARG 65 1HH2 ARG 65 -9.437 -10.369 -15.984 503 2HH2 ARG 65 2HH2 ARG 65 -9.971 -10.518 -17.582 504 H PHE 66 H PHE 66 -3.057 -4.676 -15.822 505 HA PHE 66 HA PHE 66 -3.893 -3.503 -13.288 506 1HB PHE 66 2HB PHE 66 -3.512 -2.266 -16.022 507 2HB PHE 66 1HB PHE 66 -3.777 -1.378 -14.535 508 HD1 PHE 66 1HD PHE 66 -1.932 -0.839 -13.112 509 HD2 PHE 66 2HD PHE 66 -1.394 -3.468 -16.410 510 HE1 PHE 66 1HE PHE 66 0.490 -0.655 -12.864 511 HE2 PHE 66 2HE PHE 66 1.041 -3.294 -16.155 512 HZ PHE 66 HZ PHE 66 1.988 -1.878 -14.377 513 H LEU 67 H LEU 67 -6.004 -3.637 -12.854 514 HA LEU 67 HA LEU 67 -7.856 -3.941 -15.069 515 1HB LEU 67 2HB LEU 67 -8.489 -3.962 -12.134 516 2HB LEU 67 1HB LEU 67 -9.709 -4.078 -13.382 517 HG LEU 67 HG LEU 67 -7.541 -6.073 -12.747 518 1HD1 LEU 67 1HD1 LEU 67 -9.452 -7.557 -12.314 519 2HD1 LEU 67 2HD1 LEU 67 -10.550 -6.227 -12.662 520 3HD1 LEU 67 3HD1 LEU 67 -9.480 -6.136 -11.283 521 1HD2 LEU 67 1HD2 LEU 67 -7.769 -5.959 -15.173 522 2HD2 LEU 67 2HD2 LEU 67 -9.521 -6.096 -15.026 523 3HD2 LEU 67 3HD2 LEU 67 -8.490 -7.446 -14.558 524 H HIS 68 H HIS 68 -7.309 -1.372 -12.724 525 HA HIS 68 HA HIS 68 -8.459 0.617 -14.455 526 1HB HIS 68 2HB HIS 68 -10.445 -0.764 -13.369 527 2HB HIS 68 1HB HIS 68 -9.950 0.067 -11.905 528 HD1 HIS 68 1HD HIS 68 -11.861 0.514 -15.036 529 HD2 HIS 68 2HD HIS 68 -10.446 2.852 -11.945 530 HE1 HIS 68 1HE HIS 68 -13.151 2.641 -15.198 531 HE2 HIS 68 2HE HIS 68 -12.512 3.905 -13.138 532 H GLY 69 H GLY 69 -8.415 2.759 -13.191 533 1HA GLY 69 2HA GLY 69 -6.076 2.759 -11.509 534 2HA GLY 69 1HA GLY 69 -6.952 4.169 -12.081 535 H ASN 70 H ASN 70 -9.155 2.057 -10.761 536 HA ASN 70 HA ASN 70 -9.093 2.444 -8.047 537 1HB ASN 70 2HB ASN 70 -9.120 4.912 -8.602 538 2HB ASN 70 1HB ASN 70 -10.662 4.679 -9.401 539 1HD2 ASN 70 1HD2 ASN 70 -9.920 6.378 -7.180 540 2HD2 ASN 70 2HD2 ASN 70 -10.940 5.969 -5.852 541 H VAL 71 H VAL 71 -9.839 0.349 -9.108 542 HA VAL 71 HA VAL 71 -12.747 0.361 -9.250 543 HB VAL 71 HB VAL 71 -11.626 -0.704 -11.205 544 1HG1 VAL 71 1HG1 VAL 71 -10.502 -2.615 -9.211 545 2HG1 VAL 71 2HG1 VAL 71 -9.604 -1.503 -10.259 546 3HG1 VAL 71 3HG1 VAL 71 -10.488 -2.856 -10.953 547 1HG2 VAL 71 1HG2 VAL 71 -12.821 -2.814 -11.238 548 2HG2 VAL 71 2HG2 VAL 71 -13.820 -1.528 -10.536 549 3HG2 VAL 71 3HG2 VAL 71 -13.010 -2.709 -9.495 550 H THR 72 H THR 72 -13.877 -1.183 -7.932 551 HA THR 72 HA THR 72 -12.611 -1.392 -5.350 552 HB THR 72 HB THR 72 -14.845 -2.181 -4.602 553 HG1 THR 72 1HG THR 72 -15.684 -1.581 -7.258 554 1HG2 THR 72 1HG2 THR 72 -14.841 0.354 -6.251 555 2HG2 THR 72 2HG2 THR 72 -14.304 0.209 -4.579 556 3HG2 THR 72 3HG2 THR 72 -16.006 -0.033 -4.987 557 H LEU 73 H LEU 73 -12.654 -3.422 -4.082 558 HA LEU 73 HA LEU 73 -11.520 -5.560 -5.536 559 1HB LEU 73 2HB LEU 73 -12.656 -5.660 -2.759 560 2HB LEU 73 1HB LEU 73 -11.535 -6.781 -3.482 561 HG LEU 73 HG LEU 73 -10.256 -5.580 -2.063 562 1HD1 LEU 73 1HD1 LEU 73 -8.738 -4.169 -3.351 563 2HD1 LEU 73 2HD1 LEU 73 -9.891 -4.213 -4.684 564 3HD1 LEU 73 3HD1 LEU 73 -9.135 -5.703 -4.120 565 1HD2 LEU 73 1HD2 LEU 73 -11.534 -2.999 -2.926 566 2HD2 LEU 73 2HD2 LEU 73 -10.240 -3.177 -1.744 567 3HD2 LEU 73 3HD2 LEU 73 -11.823 -3.871 -1.423 568 H GLY 74 H GLY 74 -14.775 -4.917 -4.393 569 1HA GLY 74 2HA GLY 74 -15.864 -7.479 -4.870 570 2HA GLY 74 1HA GLY 74 -16.768 -5.966 -4.852 571 H ALA 75 H ALA 75 -15.181 -4.762 -6.937 572 HA ALA 75 HA ALA 75 -16.580 -5.833 -9.187 573 1HB ALA 75 1HB ALA 75 -14.661 -3.523 -9.018 574 2HB ALA 75 2HB ALA 75 -16.413 -3.416 -8.873 575 3HB ALA 75 3HB ALA 75 -15.681 -3.905 -10.403 576 H LEU 76 H LEU 76 -13.529 -6.323 -7.781 577 HA LEU 76 HA LEU 76 -12.151 -7.206 -10.178 578 1HB LEU 76 2HB LEU 76 -11.582 -7.798 -7.305 579 2HB LEU 76 1HB LEU 76 -10.473 -8.020 -8.635 580 HG LEU 76 HG LEU 76 -11.415 -5.350 -7.550 581 1HD1 LEU 76 1HD1 LEU 76 -9.976 -6.656 -6.052 582 2HD1 LEU 76 2HD1 LEU 76 -9.189 -5.210 -6.680 583 3HD1 LEU 76 3HD1 LEU 76 -8.795 -6.791 -7.352 584 1HD2 LEU 76 1HD2 LEU 76 -9.703 -4.430 -8.939 585 2HD2 LEU 76 2HD2 LEU 76 -10.824 -5.357 -9.955 586 3HD2 LEU 76 3HD2 LEU 76 -9.254 -6.045 -9.455 587 H LYS 77 H LYS 77 -14.684 -8.336 -8.486 588 HA LYS 77 HA LYS 77 -15.907 -10.183 -8.546 589 1HB LYS 77 2HB LYS 77 -13.693 -11.457 -10.191 590 2HB LYS 77 1HB LYS 77 -15.191 -12.272 -9.789 591 1HG LYS 77 2HG LYS 77 -15.387 -11.473 -12.032 592 2HG LYS 77 1HG LYS 77 -16.407 -10.441 -11.029 593 1HD LYS 77 2HD LYS 77 -14.555 -8.791 -10.958 594 2HD LYS 77 1HD LYS 77 -13.649 -9.801 -12.072 595 1HE LYS 77 2HE LYS 77 -15.432 -9.532 -13.747 596 2HE LYS 77 1HE LYS 77 -16.345 -8.560 -12.600 597 1HZ LYS 77 1HZ LYS 77 -14.533 -6.943 -12.590 598 2HZ LYS 77 2HZ LYS 77 -15.181 -7.134 -14.121 599 3HZ LYS 77 3HZ LYS 77 -13.699 -7.824 -13.762 600 H LEU 78 H LEU 78 -13.648 -9.653 -6.535 601 HA LEU 78 HA LEU 78 -12.858 -12.123 -5.497 602 1HB LEU 78 2HB LEU 78 -13.120 -9.457 -4.190 603 2HB LEU 78 1HB LEU 78 -12.805 -10.868 -3.217 604 HG LEU 78 HG LEU 78 -10.720 -11.240 -4.512 605 1HD1 LEU 78 1HD1 LEU 78 -11.351 -10.098 -6.551 606 2HD1 LEU 78 2HD1 LEU 78 -9.843 -9.456 -5.875 607 3HD1 LEU 78 3HD1 LEU 78 -11.364 -8.582 -5.648 608 1HD2 LEU 78 1HD2 LEU 78 -9.496 -9.363 -3.495 609 2HD2 LEU 78 2HD2 LEU 78 -10.625 -10.160 -2.406 610 3HD2 LEU 78 3HD2 LEU 78 -11.045 -8.602 -3.109 611 HA PRO 79 HA PRO 79 -16.654 -13.528 -3.573 612 1HB PRO 79 2HB PRO 79 -14.919 -15.788 -2.820 613 2HB PRO 79 1HB PRO 79 -16.388 -15.807 -3.796 614 1HG PRO 79 2HG PRO 79 -13.993 -16.262 -4.912 615 2HG PRO 79 1HG PRO 79 -15.261 -15.368 -5.756 616 1HD PRO 79 2HD PRO 79 -12.867 -14.257 -4.302 617 2HD PRO 79 1HD PRO 79 -13.572 -13.847 -5.886 618 H PHE 80 H PHE 80 -17.142 -13.738 -1.333 619 HA PHE 80 HA PHE 80 -15.301 -12.247 0.332 620 1HB PHE 80 2HB PHE 80 -17.858 -13.570 1.290 621 2HB PHE 80 1HB PHE 80 -17.034 -12.169 1.949 622 HD1 PHE 80 1HD PHE 80 -19.695 -13.290 0.129 623 HD2 PHE 80 2HD PHE 80 -16.867 -10.147 0.219 624 HE1 PHE 80 1HE PHE 80 -21.229 -11.894 -1.225 625 HE2 PHE 80 2HE PHE 80 -18.394 -8.726 -1.127 626 HZ PHE 80 HZ PHE 80 -20.564 -9.606 -1.841 627 H GLY 81 H GLY 81 -14.161 -13.089 2.056 628 1HA GLY 81 2HA GLY 81 -13.582 -14.717 3.652 629 2HA GLY 81 1HA GLY 81 -14.568 -15.885 2.816 630 H LYS 82 H LYS 82 -12.764 -14.501 0.458 631 HA LYS 82 HA LYS 82 -10.780 -16.625 0.708 632 1HB LYS 82 2HB LYS 82 -11.669 -15.111 -1.717 633 2HB LYS 82 1HB LYS 82 -10.402 -16.325 -1.699 634 1HG LYS 82 2HG LYS 82 -12.047 -17.971 -0.895 635 2HG LYS 82 1HG LYS 82 -13.307 -16.737 -1.071 636 1HD LYS 82 2HD LYS 82 -12.697 -16.472 -3.357 637 2HD LYS 82 1HD LYS 82 -11.498 -17.750 -3.233 638 1HE LYS 82 2HE LYS 82 -14.484 -18.079 -2.830 639 2HE LYS 82 1HE LYS 82 -13.570 -18.638 -4.222 640 1HZ LYS 82 1HZ LYS 82 -13.990 -20.425 -2.689 641 2HZ LYS 82 2HZ LYS 82 -13.259 -19.606 -1.429 642 3HZ LYS 82 3HZ LYS 82 -12.335 -20.127 -2.746 643 H THR 83 H THR 83 -8.590 -16.216 0.153 644 HA THR 83 HA THR 83 -7.705 -13.532 0.846 645 HB THR 83 HB THR 83 -6.071 -16.041 0.369 646 HG1 THR 83 1HG THR 83 -6.853 -14.826 2.817 647 1HG2 THR 83 1HG2 THR 83 -4.321 -14.807 1.571 648 2HG2 THR 83 2HG2 THR 83 -5.402 -13.421 1.732 649 3HG2 THR 83 3HG2 THR 83 -4.831 -13.912 0.135 650 H THR 84 H THR 84 -7.339 -12.178 -0.727 651 HA THR 84 HA THR 84 -6.395 -13.251 -3.306 652 HB THR 84 HB THR 84 -8.092 -10.803 -2.823 653 HG1 THR 84 1HG THR 84 -9.198 -12.785 -2.574 654 1HG2 THR 84 1HG2 THR 84 -7.191 -12.093 -5.410 655 2HG2 THR 84 2HG2 THR 84 -6.631 -10.538 -4.772 656 3HG2 THR 84 3HG2 THR 84 -8.320 -10.747 -5.241 657 H VAL 85 H VAL 85 -4.588 -12.323 -4.205 658 HA VAL 85 HA VAL 85 -3.274 -10.247 -2.617 659 HB VAL 85 HB VAL 85 -2.102 -12.406 -2.574 660 1HG1 VAL 85 1HG1 VAL 85 -1.901 -12.151 -5.562 661 2HG1 VAL 85 2HG1 VAL 85 -2.824 -13.352 -4.661 662 3HG1 VAL 85 3HG1 VAL 85 -1.062 -13.347 -4.574 663 1HG2 VAL 85 1HG2 VAL 85 -0.626 -10.329 -4.180 664 2HG2 VAL 85 2HG2 VAL 85 0.122 -11.661 -3.298 665 3HG2 VAL 85 3HG2 VAL 85 -0.746 -10.402 -2.422 666 H MET 86 H MET 86 -2.552 -8.398 -3.581 667 HA MET 86 HA MET 86 -2.834 -8.157 -6.494 668 1HB MET 86 2HB MET 86 -3.914 -6.225 -4.456 669 2HB MET 86 1HB MET 86 -3.785 -5.908 -6.177 670 1HG MET 86 2HG MET 86 -5.295 -7.746 -6.619 671 2HG MET 86 1HG MET 86 -5.457 -8.040 -4.887 672 1HE MET 86 1HE MET 86 -5.214 -4.547 -6.782 673 2HE MET 86 2HE MET 86 -6.937 -4.232 -7.026 674 3HE MET 86 3HE MET 86 -6.169 -5.587 -7.844 675 H HIS 87 H HIS 87 -1.663 -6.474 -7.419 676 HA HIS 87 HA HIS 87 0.598 -5.545 -5.752 677 1HB HIS 87 2HB HIS 87 0.523 -5.810 -8.796 678 2HB HIS 87 1HB HIS 87 1.804 -5.121 -7.786 679 HD1 HIS 87 1HD HIS 87 3.605 -6.662 -7.101 680 HD2 HIS 87 2HD HIS 87 0.234 -8.741 -8.383 681 HE1 HIS 87 1HE HIS 87 4.289 -9.068 -7.237 682 HE2 HIS 87 2HE HIS 87 2.138 -10.287 -7.684 683 H LEU 88 H LEU 88 0.877 -3.334 -5.569 684 HA LEU 88 HA LEU 88 -1.043 -1.740 -7.120 685 1HB LEU 88 2HB LEU 88 -0.188 -1.325 -4.251 686 2HB LEU 88 1HB LEU 88 -1.165 -0.207 -5.171 687 HG LEU 88 HG LEU 88 -2.584 -1.402 -3.679 688 1HD1 LEU 88 1HD1 LEU 88 -2.979 -2.460 -6.450 689 2HD1 LEU 88 2HD1 LEU 88 -3.563 -0.928 -5.804 690 3HD1 LEU 88 3HD1 LEU 88 -4.182 -2.451 -5.163 691 1HD2 LEU 88 1HD2 LEU 88 -2.836 -3.864 -3.750 692 2HD2 LEU 88 2HD2 LEU 88 -1.238 -3.350 -3.211 693 3HD2 LEU 88 3HD2 LEU 88 -1.467 -3.941 -4.854 694 H VAL 89 H VAL 89 -0.281 0.058 -8.120 695 HA VAL 89 HA VAL 89 2.548 0.570 -7.638 696 HB VAL 89 HB VAL 89 2.819 1.233 -9.980 697 1HG1 VAL 89 1HG1 VAL 89 2.671 -0.978 -11.010 698 2HG1 VAL 89 2HG1 VAL 89 1.652 -1.516 -9.684 699 3HG1 VAL 89 3HG1 VAL 89 3.329 -1.056 -9.373 700 1HG2 VAL 89 1HG2 VAL 89 1.102 0.788 -11.650 701 2HG2 VAL 89 2HG2 VAL 89 0.524 1.948 -10.456 702 3HG2 VAL 89 3HG2 VAL 89 -0.015 0.269 -10.386 703 H ALA 90 H ALA 90 3.184 2.516 -7.268 704 HA ALA 90 HA ALA 90 1.449 4.772 -7.855 705 1HB ALA 90 1HB ALA 90 2.955 4.348 -5.257 706 2HB ALA 90 2HB ALA 90 1.201 4.288 -5.458 707 3HB ALA 90 3HB ALA 90 2.067 5.802 -5.724 708 H ARG 91 H ARG 91 2.654 6.663 -8.398 709 HA ARG 91 HA ARG 91 5.451 6.059 -8.906 710 1HB ARG 91 2HB ARG 91 3.974 6.418 -10.951 711 2HB ARG 91 1HB ARG 91 3.681 8.045 -10.366 712 1HG ARG 91 2HG ARG 91 6.018 8.606 -10.576 713 2HG ARG 91 1HG ARG 91 6.397 6.950 -11.033 714 1HD ARG 91 2HD ARG 91 4.718 8.908 -12.594 715 2HD ARG 91 1HD ARG 91 6.354 8.365 -12.973 716 HE ARG 91 HE ARG 91 4.038 6.552 -12.939 717 1HH1 ARG 91 1HH1 ARG 91 7.124 7.560 -14.462 718 2HH1 ARG 91 2HH1 ARG 91 6.909 6.529 -15.764 719 1HH2 ARG 91 1HH2 ARG 91 3.844 5.132 -14.797 720 2HH2 ARG 91 2HH2 ARG 91 5.083 5.143 -15.962 721 H GLU 92 H GLU 92 6.900 7.797 -8.559 722 HA GLU 92 HA GLU 92 7.029 9.064 -6.192 723 1HB GLU 92 2HB GLU 92 8.671 9.038 -8.144 724 2HB GLU 92 1HB GLU 92 7.805 10.433 -8.758 725 1HG GLU 92 2HG GLU 92 9.698 11.223 -7.662 726 2HG GLU 92 1HG GLU 92 8.335 11.574 -6.594 727 H THR 93 H THR 93 5.820 10.561 -9.045 728 HA THR 93 HA THR 93 3.450 11.530 -7.981 729 HB THR 93 HB THR 93 4.036 14.047 -8.618 730 HG1 THR 93 1HG THR 93 6.445 13.368 -7.407 731 1HG2 THR 93 1HG2 THR 93 4.440 14.610 -6.215 732 2HG2 THR 93 2HG2 THR 93 4.638 12.872 -5.907 733 3HG2 THR 93 3HG2 THR 93 3.097 13.497 -6.477 734 H LEU 94 H LEU 94 5.362 13.299 -10.291 735 HA LEU 94 HA LEU 94 3.417 12.620 -12.348 736 1HB LEU 94 2HB LEU 94 5.692 14.619 -12.355 737 2HB LEU 94 1HB LEU 94 4.742 14.267 -13.775 738 HG LEU 94 HG LEU 94 2.726 15.104 -12.516 739 1HD1 LEU 94 1HD1 LEU 94 3.113 16.594 -10.621 740 2HD1 LEU 94 2HD1 LEU 94 4.784 16.021 -10.530 741 3HD1 LEU 94 3HD1 LEU 94 3.442 14.901 -10.277 742 1HD2 LEU 94 1HD2 LEU 94 3.269 17.452 -12.849 743 2HD2 LEU 94 2HD2 LEU 94 3.854 16.454 -14.180 744 3HD2 LEU 94 3HD2 LEU 94 4.978 17.039 -12.954 745 HA PRO 95 HA PRO 95 6.013 9.716 -14.475 746 1HB PRO 95 2HB PRO 95 5.550 11.161 -17.024 747 2HB PRO 95 1HB PRO 95 5.186 9.480 -16.611 748 1HG PRO 95 2HG PRO 95 3.230 11.278 -16.835 749 2HG PRO 95 1HG PRO 95 3.185 10.028 -15.580 750 1HD PRO 95 2HD PRO 95 3.945 12.916 -15.339 751 2HD PRO 95 1HD PRO 95 2.950 11.919 -14.253 752 H GLU 96 H GLU 96 7.862 10.384 -13.556 753 HA GLU 96 HA GLU 96 9.871 11.197 -13.236 754 1HB GLU 96 2HB GLU 96 10.049 10.599 -16.172 755 2HB GLU 96 1HB GLU 96 11.439 11.023 -15.183 756 1HG GLU 96 2HG GLU 96 11.286 8.610 -15.455 757 2HG GLU 96 1HG GLU 96 11.032 9.057 -13.771 758 HA PRO 97 HA PRO 97 9.365 15.589 -14.136 759 1HB PRO 97 2HB PRO 97 10.517 15.790 -11.418 760 2HB PRO 97 1HB PRO 97 9.021 16.492 -12.035 761 1HG PRO 97 2HG PRO 97 9.010 14.452 -10.284 762 2HG PRO 97 1HG PRO 97 7.775 14.612 -11.545 763 1HD PRO 97 2HD PRO 97 10.178 12.829 -11.457 764 2HD PRO 97 1HD PRO 97 8.531 12.482 -12.034 765 H ASN 98 H ASN 98 11.880 14.418 -11.993 766 HA ASN 98 HA ASN 98 14.041 14.384 -13.821 767 1HB ASN 98 2HB ASN 98 13.663 16.922 -13.579 768 2HB ASN 98 1HB ASN 98 14.082 16.742 -11.883 769 1HD2 ASN 98 1HD2 ASN 98 16.277 16.460 -11.324 770 2HD2 ASN 98 2HD2 ASN 98 17.547 16.670 -12.468 771 H SER 99 H SER 99 12.576 13.104 -11.533 772 HA SER 99 HA SER 99 12.738 12.242 -9.523 773 1HB SER 99 2HB SER 99 15.556 11.659 -10.463 774 2HB SER 99 1HB SER 99 14.719 10.808 -9.160 775 HG SER 99 HG SER 99 14.581 9.707 -11.143 776 H GLN 100 H GLN 100 12.483 14.353 -8.626 777 HA GLN 100 HA GLN 100 14.783 15.736 -7.490 778 1HB GLN 100 2HB GLN 100 11.827 16.285 -7.264 779 2HB GLN 100 1HB GLN 100 13.116 17.360 -6.753 780 1HG GLN 100 2HG GLN 100 13.829 17.591 -9.087 781 2HG GLN 100 1HG GLN 100 12.545 16.483 -9.559 782 1HE2 GLN 100 1HE2 GLN 100 13.016 19.305 -10.260 783 2HE2 GLN 100 2HE2 GLN 100 11.575 20.136 -9.859 784 H GLY 101 H GLY 101 12.453 13.422 -6.607 785 1HA GLY 101 2HA GLY 101 12.281 12.302 -4.539 786 2HA GLY 101 1HA GLY 101 13.108 13.659 -3.760 787 H GLN 102 H GLN 102 10.741 14.313 -6.084 788 HA GLN 102 HA GLN 102 9.131 15.756 -4.196 789 1HB GLN 102 2HB GLN 102 9.614 16.705 -6.376 790 2HB GLN 102 1HB GLN 102 8.880 15.322 -7.167 791 1HG GLN 102 2HG GLN 102 6.720 15.952 -6.111 792 2HG GLN 102 1HG GLN 102 7.503 17.414 -5.510 793 1HE2 GLN 102 1HE2 GLN 102 6.359 15.712 -8.307 794 2HE2 GLN 102 2HE2 GLN 102 6.406 17.080 -9.372 795 H ARG 103 H ARG 103 7.778 14.618 -3.016 796 HA ARG 103 HA ARG 103 5.572 13.319 -4.214 797 1HB ARG 103 2HB ARG 103 5.782 11.154 -3.148 798 2HB ARG 103 1HB ARG 103 7.232 11.419 -4.092 799 1HG ARG 103 2HG ARG 103 8.488 11.891 -2.081 800 2HG ARG 103 1HG ARG 103 7.011 11.782 -1.111 801 1HD ARG 103 2HD ARG 103 6.713 9.456 -1.966 802 2HD ARG 103 1HD ARG 103 8.305 9.583 -2.708 803 HE ARG 103 HE ARG 103 8.720 10.213 -0.111 804 1HH1 ARG 103 1HH1 ARG 103 7.320 7.470 -1.820 805 2HH1 ARG 103 2HH1 ARG 103 7.616 6.337 -0.586 806 1HH2 ARG 103 1HH2 ARG 103 9.188 8.636 1.632 807 2HH2 ARG 103 2HH2 ARG 103 8.764 7.020 1.393 808 H ASN 104 H ASN 104 4.605 12.162 -1.735 809 HA ASN 104 HA ASN 104 3.989 14.649 -0.517 810 1HB ASN 104 2HB ASN 104 2.231 12.978 -0.564 811 2HB ASN 104 1HB ASN 104 3.227 11.841 0.342 812 1HD2 ASN 104 1HD2 ASN 104 1.523 14.910 0.529 813 2HD2 ASN 104 2HD2 ASN 104 1.285 14.899 2.226 814 H ARG 105 H ARG 105 4.175 15.128 1.706 815 HA ARG 105 HA ARG 105 6.753 15.448 2.543 816 1HB ARG 105 2HB ARG 105 4.209 15.617 4.100 817 2HB ARG 105 1HB ARG 105 5.768 16.229 4.654 818 1HG ARG 105 2HG ARG 105 5.902 17.725 2.803 819 2HG ARG 105 1HG ARG 105 4.434 17.046 2.105 820 1HD ARG 105 2HD ARG 105 3.182 17.782 4.019 821 2HD ARG 105 1HD ARG 105 4.673 18.437 4.719 822 HE ARG 105 HE ARG 105 4.800 19.869 2.717 823 1HH1 ARG 105 1HH1 ARG 105 1.599 18.658 3.677 824 2HH1 ARG 105 2HH1 ARG 105 0.784 20.016 3.081 825 1HH2 ARG 105 1HH2 ARG 105 3.678 21.663 1.878 826 2HH2 ARG 105 2HH2 ARG 105 1.984 21.766 2.012 827 H GLU 106 H GLU 106 4.649 12.761 3.219 828 HA GLU 106 HA GLU 106 5.154 10.657 3.898 829 1HB GLU 106 2HB GLU 106 7.451 11.046 2.979 830 2HB GLU 106 1HB GLU 106 7.934 11.707 4.521 831 1HG GLU 106 2HG GLU 106 7.483 9.490 5.535 832 2HG GLU 106 1HG GLU 106 7.156 8.870 3.915 833 H LYS 107 H LYS 107 4.011 10.129 5.579 834 HA LYS 107 HA LYS 107 3.226 9.795 7.606 835 1HB LYS 107 2HB LYS 107 5.932 10.741 8.565 836 2HB LYS 107 1HB LYS 107 4.652 10.355 9.697 837 1HG LYS 107 2HG LYS 107 6.124 8.466 9.516 838 2HG LYS 107 1HG LYS 107 4.589 8.050 8.771 839 1HD LYS 107 2HD LYS 107 5.585 8.521 6.550 840 2HD LYS 107 1HD LYS 107 7.112 8.872 7.369 841 1HE LYS 107 2HE LYS 107 5.660 6.232 7.442 842 2HE LYS 107 1HE LYS 107 7.063 6.595 6.445 843 1HZ LYS 107 1HZ LYS 107 8.341 6.988 8.483 844 2HZ LYS 107 2HZ LYS 107 7.681 5.429 8.496 845 3HZ LYS 107 3HZ LYS 107 6.987 6.633 9.411 846 H THR 108 H THR 108 4.881 12.895 7.842 847 HA THR 108 HA THR 108 2.499 14.015 9.042 848 HB THR 108 HB THR 108 3.877 16.120 9.063 849 HG1 THR 108 1HG THR 108 5.150 15.351 7.241 850 1HG2 THR 108 1HG2 THR 108 3.895 14.626 11.016 851 2HG2 THR 108 2HG2 THR 108 5.480 15.368 10.788 852 3HG2 THR 108 3HG2 THR 108 5.207 13.697 10.294 853 H GLY 109 H GLY 109 0.923 14.412 7.625 854 1HA GLY 109 2HA GLY 109 1.431 14.685 4.833 855 2HA GLY 109 1HA GLY 109 -0.125 14.858 5.635 856 H GLU 110 H GLU 110 0.984 16.916 7.440 857 HA GLU 110 HA GLU 110 1.088 19.079 5.483 858 1HB GLU 110 2HB GLU 110 -0.100 20.465 7.088 859 2HB GLU 110 1HB GLU 110 -1.055 19.067 6.625 860 1HG GLU 110 2HG GLU 110 0.527 19.285 9.185 861 2HG GLU 110 1HG GLU 110 -1.178 19.691 9.055 862 H SER 111 H SER 111 2.413 20.804 5.953 863 HA SER 111 HA SER 111 4.258 20.445 8.184 864 1HB SER 111 2HB SER 111 4.399 22.280 5.770 865 2HB SER 111 1HB SER 111 5.646 22.127 7.010 866 HG SER 111 HG SER 111 6.085 20.910 5.165 867 H ASN 112 H ASN 112 2.330 22.859 6.480 868 HA ASN 112 HA ASN 112 1.054 24.574 7.072 869 1HB ASN 112 2HB ASN 112 -0.155 23.008 8.472 870 2HB ASN 112 1HB ASN 112 1.038 23.155 9.748 871 1HD2 ASN 112 1HD2 ASN 112 -1.635 24.675 8.129 872 2HD2 ASN 112 2HD2 ASN 112 -1.952 25.843 9.349 873 H CYS 113 H CYS 113 2.667 24.302 10.119 874 HA CYS 113 HA CYS 113 4.551 26.397 9.722 875 1HB CYS 113 2HB CYS 113 2.183 26.916 11.580 876 2HB CYS 113 1HB CYS 113 3.653 27.872 11.554 877 HG CYS 113 HG CYS 113 2.211 27.652 8.585 878 H CYS 114 H CYS 114 2.545 24.590 11.963 879 HA CYS 114 HA CYS 114 4.838 23.277 13.065 880 1HB CYS 114 2HB CYS 114 4.060 23.761 15.383 881 2HB CYS 114 1HB CYS 114 4.603 25.211 14.550 882 HG CYS 114 HG CYS 114 1.304 24.423 14.543 883 H VAL 115 H VAL 115 4.223 21.181 13.614 884 HA VAL 115 HA VAL 115 1.379 20.707 13.370 885 HB VAL 115 HB VAL 115 1.896 18.304 12.788 886 1HG1 VAL 115 1HG1 VAL 115 3.006 20.410 10.944 887 2HG1 VAL 115 2HG1 VAL 115 1.317 19.932 11.085 888 3HG1 VAL 115 3HG1 VAL 115 2.504 18.788 10.464 889 1HG2 VAL 115 1HG2 VAL 115 4.716 19.356 12.488 890 2HG2 VAL 115 2HG2 VAL 115 4.150 17.776 11.952 891 3HG2 VAL 115 3HG2 VAL 115 4.168 18.166 13.670 892 H ILE 116 H ILE 116 0.621 20.918 15.215 893 HA ILE 116 HA ILE 116 1.178 18.956 17.210 894 HB ILE 116 HB ILE 116 2.836 20.582 17.853 895 1HG1 ILE 116 2HG1 ILE 116 2.047 21.333 20.097 896 2HG1 ILE 116 1HG1 ILE 116 0.406 20.915 19.618 897 1HG2 ILE 116 1HG2 ILE 116 0.730 22.714 17.697 898 2HG2 ILE 116 2HG2 ILE 116 2.112 22.503 16.625 899 3HG2 ILE 116 3HG2 ILE 116 2.367 22.940 18.312 900 1HD1 ILE 116 1HD1 ILE 116 2.714 18.998 19.856 901 2HD1 ILE 116 2HD1 ILE 116 1.052 18.585 19.424 902 3HD1 ILE 116 3HD1 ILE 116 1.414 19.214 21.028 903 H LEU 117 H LEU 117 -0.696 18.418 18.139 904 HA LEU 117 HA LEU 117 -2.945 20.082 17.509 905 1HB LEU 117 2HB LEU 117 -4.283 17.978 18.289 906 2HB LEU 117 1HB LEU 117 -3.545 18.020 16.710 907 HG LEU 117 HG LEU 117 -1.666 16.619 17.642 908 1HD1 LEU 117 1HD1 LEU 117 -2.017 15.353 19.683 909 2HD1 LEU 117 2HD1 LEU 117 -3.465 16.302 20.027 910 3HD1 LEU 117 3HD1 LEU 117 -1.884 17.081 20.004 911 1HD2 LEU 117 1HD2 LEU 117 -3.427 15.641 16.321 912 2HD2 LEU 117 2HD2 LEU 117 -4.440 15.459 17.754 913 3HD2 LEU 117 3HD2 LEU 117 -2.947 14.533 17.605 Start of MODEL 12 1 H SER 2 H SER 2 -7.162 -11.445 13.164 2 HA SER 2 HA SER 2 -8.958 -12.168 12.063 3 1HB SER 2 2HB SER 2 -7.326 -11.776 9.565 4 2HB SER 2 1HB SER 2 -9.070 -12.058 9.636 5 HG SER 2 HG SER 2 -8.878 -10.147 11.216 6 H SER 3 H SER 3 -9.502 -14.057 12.545 7 HA SER 3 HA SER 3 -8.655 -16.258 10.845 8 1HB SER 3 2HB SER 3 -7.612 -16.487 13.133 9 2HB SER 3 1HB SER 3 -9.226 -16.395 13.832 10 HG SER 3 HG SER 3 -8.602 -18.528 13.642 11 H ASN 4 H ASN 4 -10.422 -17.087 9.902 12 HA ASN 4 HA ASN 4 -12.511 -17.301 9.186 13 1HB ASN 4 2HB ASN 4 -13.335 -16.549 12.014 14 2HB ASN 4 1HB ASN 4 -14.498 -16.881 10.746 15 1HD2 ASN 4 1HD2 ASN 4 -15.350 -18.584 11.851 16 2HD2 ASN 4 2HD2 ASN 4 -14.555 -20.099 12.047 17 H VAL 5 H VAL 5 -12.659 -15.913 7.635 18 HA VAL 5 HA VAL 5 -12.881 -13.106 8.238 19 HB VAL 5 HB VAL 5 -12.753 -14.524 5.570 20 1HG1 VAL 5 1HG1 VAL 5 -12.150 -12.310 4.653 21 2HG1 VAL 5 2HG1 VAL 5 -12.358 -11.617 6.265 22 3HG1 VAL 5 3HG1 VAL 5 -13.747 -12.284 5.414 23 1HG2 VAL 5 1HG2 VAL 5 -10.406 -13.808 5.499 24 2HG2 VAL 5 2HG2 VAL 5 -10.732 -14.920 6.829 25 3HG2 VAL 5 3HG2 VAL 5 -10.554 -13.191 7.149 26 HA PRO 6 HA PRO 6 -17.343 -13.444 7.980 27 1HB PRO 6 2HB PRO 6 -17.494 -10.581 7.625 28 2HB PRO 6 1HB PRO 6 -17.972 -11.537 9.019 29 1HG PRO 6 2HG PRO 6 -15.848 -9.824 8.932 30 2HG PRO 6 1HG PRO 6 -15.966 -11.184 10.073 31 1HD PRO 6 2HD PRO 6 -14.380 -10.877 7.583 32 2HD PRO 6 1HD PRO 6 -14.002 -11.805 9.045 33 H ALA 7 H ALA 7 -18.942 -13.355 6.425 34 HA ALA 7 HA ALA 7 -18.068 -12.754 3.776 35 1HB ALA 7 1HB ALA 7 -19.483 -14.717 4.136 36 2HB ALA 7 2HB ALA 7 -20.263 -13.548 3.066 37 3HB ALA 7 3HB ALA 7 -20.767 -13.671 4.755 38 H ASP 8 H ASP 8 -17.654 -10.684 4.302 39 HA ASP 8 HA ASP 8 -19.563 -8.790 3.344 40 1HB ASP 8 2HB ASP 8 -20.375 -8.998 5.703 41 2HB ASP 8 1HB ASP 8 -18.774 -8.560 6.275 42 H MET 9 H MET 9 -16.563 -9.732 4.750 43 HA MET 9 HA MET 9 -15.245 -7.321 3.711 44 1HB MET 9 2HB MET 9 -14.325 -9.230 5.868 45 2HB MET 9 1HB MET 9 -13.441 -7.823 5.309 46 1HG MET 9 2HG MET 9 -16.134 -7.774 6.606 47 2HG MET 9 1HG MET 9 -14.617 -7.483 7.458 48 1HE MET 9 1HE MET 9 -13.131 -5.317 7.125 49 2HE MET 9 2HE MET 9 -13.446 -4.108 5.875 50 3HE MET 9 3HE MET 9 -12.964 -5.733 5.417 51 H ILE 10 H ILE 10 -13.492 -7.614 2.408 52 HA ILE 10 HA ILE 10 -12.986 -10.361 1.633 53 HB ILE 10 HB ILE 10 -12.002 -9.413 -0.520 54 1HG1 ILE 10 2HG1 ILE 10 -13.123 -7.150 -1.161 55 2HG1 ILE 10 1HG1 ILE 10 -13.162 -6.919 0.585 56 1HG2 ILE 10 1HG2 ILE 10 -14.895 -8.959 -0.024 57 2HG2 ILE 10 2HG2 ILE 10 -14.108 -10.447 -0.627 58 3HG2 ILE 10 3HG2 ILE 10 -14.104 -8.954 -1.593 59 1HD1 ILE 10 1HD1 ILE 10 -10.700 -7.124 0.621 60 2HD1 ILE 10 2HD1 ILE 10 -11.287 -5.829 -0.468 61 3HD1 ILE 10 3HD1 ILE 10 -10.772 -7.356 -1.141 62 H ASN 11 H ASN 11 -10.966 -11.229 1.680 63 HA ASN 11 HA ASN 11 -9.127 -9.727 3.345 64 1HB ASN 11 2HB ASN 11 -9.708 -12.045 3.977 65 2HB ASN 11 1HB ASN 11 -9.102 -12.615 2.460 66 1HD2 ASN 11 1HD2 ASN 11 -7.335 -10.096 4.196 67 2HD2 ASN 11 2HD2 ASN 11 -6.038 -11.135 4.652 68 H LEU 12 H LEU 12 -7.705 -8.519 2.381 69 HA LEU 12 HA LEU 12 -6.814 -9.341 -0.266 70 1HB LEU 12 2HB LEU 12 -8.286 -7.518 -0.461 71 2HB LEU 12 1HB LEU 12 -7.535 -6.667 0.864 72 HG LEU 12 HG LEU 12 -5.541 -6.309 -0.508 73 1HD1 LEU 12 1HD1 LEU 12 -5.635 -8.218 -1.914 74 2HD1 LEU 12 2HD1 LEU 12 -5.544 -6.736 -2.844 75 3HD1 LEU 12 3HD1 LEU 12 -7.090 -7.606 -2.734 76 1HD2 LEU 12 1HD2 LEU 12 -7.248 -4.637 -0.418 77 2HD2 LEU 12 2HD2 LEU 12 -8.127 -5.428 -1.724 78 3HD2 LEU 12 3HD2 LEU 12 -6.553 -4.693 -2.041 79 H ARG 13 H ARG 13 -4.737 -9.514 -0.538 80 HA ARG 13 HA ARG 13 -2.954 -8.328 1.452 81 1HB ARG 13 2HB ARG 13 -2.842 -10.827 1.143 82 2HB ARG 13 1HB ARG 13 -2.360 -10.538 -0.510 83 1HG ARG 13 2HG ARG 13 -0.298 -9.635 0.098 84 2HG ARG 13 1HG ARG 13 -0.792 -9.384 1.767 85 1HD ARG 13 2HD ARG 13 0.664 -11.275 1.660 86 2HD ARG 13 1HD ARG 13 -0.979 -11.797 2.044 87 HE ARG 13 HE ARG 13 0.338 -12.105 -0.571 88 1HH1 ARG 13 1HH1 ARG 13 -2.164 -13.182 1.769 89 2HH1 ARG 13 2HH1 ARG 13 -2.431 -14.639 0.924 90 1HH2 ARG 13 1HH2 ARG 13 -0.082 -14.116 -1.645 91 2HH2 ARG 13 2HH2 ARG 13 -1.254 -15.193 -1.022 92 H LEU 14 H LEU 14 -1.982 -6.689 0.862 93 HA LEU 14 HA LEU 14 -1.876 -5.817 -1.930 94 1HB LEU 14 2HB LEU 14 -1.371 -4.203 0.654 95 2HB LEU 14 1HB LEU 14 -1.269 -3.542 -0.954 96 HG LEU 14 HG LEU 14 -3.170 -2.877 0.124 97 1HD1 LEU 14 1HD1 LEU 14 -3.322 -3.106 -2.254 98 2HD1 LEU 14 2HD1 LEU 14 -4.886 -3.494 -1.542 99 3HD1 LEU 14 3HD1 LEU 14 -3.826 -4.791 -2.111 100 1HD2 LEU 14 1HD2 LEU 14 -5.065 -4.410 0.592 101 2HD2 LEU 14 2HD2 LEU 14 -3.684 -4.655 1.679 102 3HD2 LEU 14 3HD2 LEU 14 -3.968 -5.767 0.351 103 H ILE 15 H ILE 15 -0.045 -6.145 -3.076 104 HA ILE 15 HA ILE 15 2.438 -6.200 -1.542 105 HB ILE 15 HB ILE 15 2.114 -7.144 -4.402 106 1HG1 ILE 15 2HG1 ILE 15 1.963 -8.797 -1.841 107 2HG1 ILE 15 1HG1 ILE 15 0.707 -8.566 -3.026 108 1HG2 ILE 15 1HG2 ILE 15 4.297 -8.257 -3.875 109 2HG2 ILE 15 2HG2 ILE 15 4.164 -7.554 -2.250 110 3HG2 ILE 15 3HG2 ILE 15 4.379 -6.497 -3.629 111 1HD1 ILE 15 1HD1 ILE 15 1.754 -10.740 -3.253 112 2HD1 ILE 15 2HD1 ILE 15 3.308 -9.961 -3.560 113 3HD1 ILE 15 3HD1 ILE 15 1.977 -9.751 -4.696 114 H LEU 16 H LEU 16 3.537 -4.508 -1.708 115 HA LEU 16 HA LEU 16 2.695 -2.451 -3.590 116 1HB LEU 16 2HB LEU 16 4.716 -2.339 -1.372 117 2HB LEU 16 1HB LEU 16 4.162 -0.968 -2.314 118 HG LEU 16 HG LEU 16 2.424 -2.637 -0.492 119 1HD1 LEU 16 1HD1 LEU 16 4.019 -1.263 0.734 120 2HD1 LEU 16 2HD1 LEU 16 2.373 -0.647 0.902 121 3HD1 LEU 16 3HD1 LEU 16 3.501 0.141 -0.203 122 1HD2 LEU 16 1HD2 LEU 16 1.814 -0.135 -2.075 123 2HD2 LEU 16 2HD2 LEU 16 0.749 -0.876 -0.889 124 3HD2 LEU 16 3HD2 LEU 16 1.152 -1.745 -2.366 125 H VAL 17 H VAL 17 4.128 -1.258 -4.866 126 HA VAL 17 HA VAL 17 5.755 -2.734 -6.535 127 HB VAL 17 HB VAL 17 4.654 -0.642 -7.156 128 1HG1 VAL 17 1HG1 VAL 17 4.978 0.670 -5.181 129 2HG1 VAL 17 2HG1 VAL 17 5.603 1.544 -6.580 130 3HG1 VAL 17 3HG1 VAL 17 6.716 0.739 -5.472 131 1HG2 VAL 17 1HG2 VAL 17 7.635 -0.549 -7.583 132 2HG2 VAL 17 2HG2 VAL 17 6.453 0.359 -8.524 133 3HG2 VAL 17 3HG2 VAL 17 6.462 -1.404 -8.584 134 H SER 18 H SER 18 6.577 -1.124 -3.583 135 HA SER 18 HA SER 18 9.424 -1.153 -3.953 136 1HB SER 18 2HB SER 18 7.767 -0.882 -1.446 137 2HB SER 18 1HB SER 18 9.489 -0.523 -1.587 138 HG SER 18 HG SER 18 8.213 1.347 -1.754 139 H GLY 19 H GLY 19 7.293 -3.630 -3.637 140 1HA GLY 19 2HA GLY 19 7.694 -5.844 -3.400 141 2HA GLY 19 1HA GLY 19 9.331 -5.527 -2.871 142 H LYS 20 H LYS 20 6.885 -3.792 -1.352 143 HA LYS 20 HA LYS 20 7.277 -5.296 1.121 144 1HB LYS 20 2HB LYS 20 5.691 -2.753 0.669 145 2HB LYS 20 1HB LYS 20 6.152 -3.427 2.217 146 1HG LYS 20 2HG LYS 20 7.965 -2.175 0.158 147 2HG LYS 20 1HG LYS 20 7.537 -1.526 1.743 148 1HD LYS 20 2HD LYS 20 8.685 -3.532 2.762 149 2HD LYS 20 1HD LYS 20 9.158 -3.965 1.113 150 1HE LYS 20 2HE LYS 20 10.988 -2.809 2.237 151 2HE LYS 20 1HE LYS 20 10.366 -1.888 0.872 152 1HZ LYS 20 1HZ LYS 20 10.786 -0.478 2.797 153 2HZ LYS 20 2HZ LYS 20 9.668 -1.355 3.719 154 3HZ LYS 20 3HZ LYS 20 9.164 -0.476 2.388 155 H THR 21 H THR 21 5.507 -6.363 2.100 156 HA THR 21 HA THR 21 3.041 -6.308 0.539 157 HB THR 21 HB THR 21 4.433 -8.704 1.660 158 HG1 THR 21 1HG THR 21 4.691 -7.436 -0.589 159 1HG2 THR 21 1HG2 THR 21 2.031 -9.015 1.790 160 2HG2 THR 21 2HG2 THR 21 2.662 -10.028 0.484 161 3HG2 THR 21 3HG2 THR 21 1.848 -8.501 0.121 162 H LYS 22 H LYS 22 1.235 -6.405 1.710 163 HA LYS 22 HA LYS 22 1.353 -6.959 4.584 164 1HB LYS 22 2HB LYS 22 1.871 -4.477 4.171 165 2HB LYS 22 1HB LYS 22 0.225 -4.339 3.601 166 1HG LYS 22 2HG LYS 22 0.343 -3.579 5.869 167 2HG LYS 22 1HG LYS 22 -0.580 -5.080 5.814 168 1HD LYS 22 2HD LYS 22 1.394 -6.328 6.578 169 2HD LYS 22 1HD LYS 22 2.334 -4.836 6.590 170 1HE LYS 22 2HE LYS 22 0.804 -3.910 8.280 171 2HE LYS 22 1HE LYS 22 -0.105 -5.415 8.261 172 1HZ LYS 22 1HZ LYS 22 2.735 -5.121 9.113 173 2HZ LYS 22 2HZ LYS 22 1.892 -6.564 9.043 174 3HZ LYS 22 3HZ LYS 22 1.409 -5.372 10.120 175 H GLU 23 H GLU 23 -0.663 -7.738 5.339 176 HA GLU 23 HA GLU 23 -2.821 -7.780 3.329 177 1HB GLU 23 2HB GLU 23 -1.550 -9.956 3.676 178 2HB GLU 23 1HB GLU 23 -2.195 -9.952 5.308 179 1HG GLU 23 2HG GLU 23 -4.496 -9.887 4.239 180 2HG GLU 23 1HG GLU 23 -3.686 -10.137 2.739 181 H PHE 24 H PHE 24 -4.795 -7.188 4.038 182 HA PHE 24 HA PHE 24 -5.479 -7.243 6.873 183 1HB PHE 24 2HB PHE 24 -5.779 -4.755 5.187 184 2HB PHE 24 1HB PHE 24 -6.489 -4.986 6.760 185 HD1 PHE 24 1HD PHE 24 -4.820 -5.319 8.727 186 HD2 PHE 24 2HD PHE 24 -3.798 -3.765 4.931 187 HE1 PHE 24 1HE PHE 24 -2.855 -4.203 9.717 188 HE2 PHE 24 2HE PHE 24 -1.822 -2.650 5.907 189 HZ PHE 24 HZ PHE 24 -1.361 -2.879 8.307 190 H LEU 25 H LEU 25 -7.798 -7.038 7.187 191 HA LEU 25 HA LEU 25 -9.361 -7.957 4.939 192 1HB LEU 25 2HB LEU 25 -10.261 -6.954 7.649 193 2HB LEU 25 1HB LEU 25 -11.287 -7.718 6.463 194 HG LEU 25 HG LEU 25 -9.069 -9.020 8.032 195 1HD1 LEU 25 1HD1 LEU 25 -10.901 -10.314 9.020 196 2HD1 LEU 25 2HD1 LEU 25 -12.063 -9.357 8.100 197 3HD1 LEU 25 3HD1 LEU 25 -11.068 -8.587 9.333 198 1HD2 LEU 25 1HD2 LEU 25 -9.172 -9.976 5.793 199 2HD2 LEU 25 2HD2 LEU 25 -10.917 -10.176 5.957 200 3HD2 LEU 25 3HD2 LEU 25 -9.827 -11.108 6.982 201 H PHE 26 H PHE 26 -10.283 -6.619 3.501 202 HA PHE 26 HA PHE 26 -10.797 -3.857 4.301 203 1HB PHE 26 2HB PHE 26 -9.648 -4.832 1.669 204 2HB PHE 26 1HB PHE 26 -10.368 -3.242 1.863 205 HD1 PHE 26 1HD PHE 26 -7.382 -5.302 2.478 206 HD2 PHE 26 2HD PHE 26 -9.284 -1.568 3.304 207 HE1 PHE 26 1HE PHE 26 -5.275 -4.391 3.218 208 HE2 PHE 26 2HE PHE 26 -7.140 -0.659 4.059 209 HZ PHE 26 HZ PHE 26 -5.121 -2.073 4.006 210 H SER 27 H SER 27 -12.489 -2.862 2.739 211 HA SER 27 HA SER 27 -14.493 -4.936 2.567 212 1HB SER 27 2HB SER 27 -16.145 -3.124 2.412 213 2HB SER 27 1HB SER 27 -15.115 -2.891 3.816 214 HG SER 27 HG SER 27 -13.856 -1.462 2.275 215 HA PRO 28 HA PRO 28 -14.147 -5.135 -1.805 216 1HB PRO 28 2HB PRO 28 -16.769 -5.598 -2.506 217 2HB PRO 28 1HB PRO 28 -15.688 -6.799 -1.764 218 1HG PRO 28 2HG PRO 28 -17.678 -5.025 -0.389 219 2HG PRO 28 1HG PRO 28 -17.485 -6.785 -0.257 220 1HD PRO 28 2HD PRO 28 -16.422 -5.211 1.581 221 2HD PRO 28 1HD PRO 28 -15.492 -6.588 0.940 222 H ASN 29 H ASN 29 -15.894 -2.734 -0.191 223 HA ASN 29 HA ASN 29 -16.699 -1.202 -2.514 224 1HB ASN 29 2HB ASN 29 -18.128 -1.215 -0.517 225 2HB ASN 29 1HB ASN 29 -16.814 -0.559 0.447 226 1HD2 ASN 29 1HD2 ASN 29 -16.372 1.643 0.317 227 2HD2 ASN 29 2HD2 ASN 29 -17.406 2.752 -0.498 228 H ASP 30 H ASP 30 -13.903 -1.504 -0.541 229 HA ASP 30 HA ASP 30 -12.936 1.180 -0.910 230 1HB ASP 30 2HB ASP 30 -11.420 -1.323 -0.085 231 2HB ASP 30 1HB ASP 30 -10.708 0.285 -0.157 232 H SER 31 H SER 31 -11.166 1.816 -2.221 233 HA SER 31 HA SER 31 -10.978 0.246 -4.669 234 1HB SER 31 2HB SER 31 -10.067 3.073 -4.095 235 2HB SER 31 1HB SER 31 -10.074 2.282 -5.667 236 HG SER 31 HG SER 31 -12.059 2.798 -5.880 237 H ALA 32 H ALA 32 -9.158 -0.735 -5.211 238 HA ALA 32 HA ALA 32 -7.179 -1.513 -3.412 239 1HB ALA 32 1HB ALA 32 -5.998 -2.381 -5.323 240 2HB ALA 32 2HB ALA 32 -6.888 -1.257 -6.356 241 3HB ALA 32 3HB ALA 32 -7.749 -2.580 -5.577 242 H SER 33 H SER 33 -7.055 1.304 -5.615 243 HA SER 33 HA SER 33 -4.324 1.747 -5.142 244 1HB SER 33 2HB SER 33 -4.916 4.032 -6.173 245 2HB SER 33 1HB SER 33 -5.027 2.619 -7.208 246 HG SER 33 HG SER 33 -6.786 3.898 -7.404 247 H ASP 34 H ASP 34 -7.234 3.037 -3.585 248 HA ASP 34 HA ASP 34 -5.912 4.881 -1.828 249 1HB ASP 34 2HB ASP 34 -8.473 3.278 -1.544 250 2HB ASP 34 1HB ASP 34 -7.985 4.420 -0.327 251 H ILE 35 H ILE 35 -6.761 1.522 -1.664 252 HA ILE 35 HA ILE 35 -5.929 0.996 0.953 253 HB ILE 35 HB ILE 35 -5.972 -0.871 -1.411 254 1HG1 ILE 35 2HG1 ILE 35 -8.012 -0.302 0.733 255 2HG1 ILE 35 1HG1 ILE 35 -8.141 0.140 -0.968 256 1HG2 ILE 35 1HG2 ILE 35 -6.067 -2.630 0.251 257 2HG2 ILE 35 2HG2 ILE 35 -5.962 -1.425 1.533 258 3HG2 ILE 35 3HG2 ILE 35 -4.600 -1.661 0.440 259 1HD1 ILE 35 1HD1 ILE 35 -8.150 -2.210 -1.572 260 2HD1 ILE 35 2HD1 ILE 35 -9.455 -1.835 -0.426 261 3HD1 ILE 35 3HD1 ILE 35 -7.976 -2.630 0.126 262 H ALA 36 H ALA 36 -4.066 0.777 -2.080 263 HA ALA 36 HA ALA 36 -1.679 -0.189 -1.208 264 1HB ALA 36 1HB ALA 36 -2.051 2.110 -3.126 265 2HB ALA 36 2HB ALA 36 -2.184 0.404 -3.544 266 3HB ALA 36 3HB ALA 36 -0.636 1.063 -3.021 267 H LYS 37 H LYS 37 -2.840 3.194 -0.845 268 HA LYS 37 HA LYS 37 -0.411 3.973 0.390 269 1HB LYS 37 2HB LYS 37 -3.031 5.217 -0.149 270 2HB LYS 37 1HB LYS 37 -1.968 6.065 0.954 271 1HG LYS 37 2HG LYS 37 -1.282 5.190 -1.845 272 2HG LYS 37 1HG LYS 37 -1.833 6.808 -1.460 273 1HD LYS 37 2HD LYS 37 0.699 5.496 -0.386 274 2HD LYS 37 1HD LYS 37 0.631 6.659 -1.707 275 1HE LYS 37 2HE LYS 37 -0.211 8.374 -0.182 276 2HE LYS 37 1HE LYS 37 -0.220 7.220 1.153 277 1HZ LYS 37 1HZ LYS 37 2.251 7.178 0.991 278 2HZ LYS 37 2HZ LYS 37 1.672 8.734 1.185 279 3HZ LYS 37 3HZ LYS 37 2.183 8.250 -0.302 280 H HIS 38 H HIS 38 -3.535 2.957 1.447 281 HA HIS 38 HA HIS 38 -3.329 3.478 4.201 282 1HB HIS 38 2HB HIS 38 -5.435 2.832 3.059 283 2HB HIS 38 1HB HIS 38 -4.788 1.228 2.780 284 HD1 HIS 38 1HD HIS 38 -6.894 3.079 5.044 285 HD2 HIS 38 2HD HIS 38 -4.394 -0.216 5.338 286 HE1 HIS 38 1HE HIS 38 -7.621 1.880 7.119 287 HE2 HIS 38 2HE HIS 38 -6.310 -0.261 7.074 288 H VAL 39 H VAL 39 -2.378 0.587 2.330 289 HA VAL 39 HA VAL 39 -1.376 -0.797 4.621 290 HB VAL 39 HB VAL 39 -0.543 -2.475 3.031 291 1HG1 VAL 39 1HG1 VAL 39 -2.846 -2.535 3.848 292 2HG1 VAL 39 2HG1 VAL 39 -2.754 -3.143 2.206 293 3HG1 VAL 39 3HG1 VAL 39 -3.378 -1.539 2.504 294 1HG2 VAL 39 1HG2 VAL 39 0.050 -0.955 1.191 295 2HG2 VAL 39 2HG2 VAL 39 -1.678 -0.630 0.960 296 3HG2 VAL 39 3HG2 VAL 39 -1.043 -2.239 0.657 297 H TYR 40 H TYR 40 0.014 1.220 2.180 298 HA TYR 40 HA TYR 40 2.766 0.790 2.780 299 1HB TYR 40 2HB TYR 40 1.958 1.831 0.670 300 2HB TYR 40 1HB TYR 40 1.451 3.242 1.578 301 HD1 TYR 40 1HD TYR 40 4.540 1.192 1.084 302 HD2 TYR 40 2HD TYR 40 2.873 5.083 1.483 303 HE1 TYR 40 1HE TYR 40 6.740 2.162 0.666 304 HE2 TYR 40 2HE TYR 40 5.096 6.071 1.068 305 HH TYR 40 HH TYR 40 7.470 5.430 1.217 306 H ASP 41 H ASP 41 0.311 2.555 4.277 307 HA ASP 41 HA ASP 41 0.121 3.421 6.276 308 1HB ASP 41 2HB ASP 41 1.928 2.297 7.360 309 2HB ASP 41 1HB ASP 41 3.126 3.325 6.584 310 H ASN 42 H ASN 42 -0.903 4.860 5.383 311 HA ASN 42 HA ASN 42 -0.566 7.433 6.152 312 1HB ASN 42 2HB ASN 42 1.175 7.686 4.378 313 2HB ASN 42 1HB ASN 42 0.022 7.101 3.179 314 1HD2 ASN 42 1HD2 ASN 42 -1.708 8.473 2.567 315 2HD2 ASN 42 2HD2 ASN 42 -1.680 10.166 2.900 316 H TRP 43 H TRP 43 -2.616 8.244 6.059 317 HA TRP 43 HA TRP 43 -4.574 6.469 4.881 318 1HB TRP 43 2HB TRP 43 -4.892 9.020 6.471 319 2HB TRP 43 1HB TRP 43 -6.194 7.927 6.018 320 HD1 TRP 43 HD TRP 43 -3.120 8.107 8.324 321 HE1 TRP 43 1HE TRP 43 -3.425 6.396 10.212 322 HE3 TRP 43 3HE TRP 43 -7.359 5.820 6.640 323 HZ2 TRP 43 2HZ TRP 43 -5.229 4.344 10.890 324 HZ3 TRP 43 3HZ TRP 43 -8.309 3.988 7.970 325 HH2 TRP 43 HH TRP 43 -7.262 3.267 10.051 326 HA PRO 44 HA PRO 44 -4.792 9.045 1.150 327 1HB PRO 44 2HB PRO 44 -7.179 7.297 0.804 328 2HB PRO 44 1HB PRO 44 -5.904 7.712 -0.352 329 1HG PRO 44 2HG PRO 44 -5.893 5.335 0.756 330 2HG PRO 44 1HG PRO 44 -4.402 6.272 0.569 331 1HD PRO 44 2HD PRO 44 -6.012 5.780 3.003 332 2HD PRO 44 1HD PRO 44 -4.258 5.815 2.774 333 H MET 45 H MET 45 -5.343 10.870 2.209 334 HA MET 45 HA MET 45 -8.078 11.674 1.964 335 1HB MET 45 2HB MET 45 -7.976 10.826 4.277 336 2HB MET 45 1HB MET 45 -6.587 11.850 4.601 337 1HG MET 45 2HG MET 45 -7.952 13.834 4.284 338 2HG MET 45 1HG MET 45 -9.346 12.830 3.887 339 1HE MET 45 1HE MET 45 -10.049 11.012 7.285 340 2HE MET 45 2HE MET 45 -9.012 10.418 5.997 341 3HE MET 45 3HE MET 45 -10.540 11.208 5.601 342 H ASP 46 H ASP 46 -7.910 13.460 0.888 343 HA ASP 46 HA ASP 46 -7.250 15.372 0.030 344 1HB ASP 46 2HB ASP 46 -6.701 16.366 2.186 345 2HB ASP 46 1HB ASP 46 -5.164 15.505 2.234 346 H TRP 47 H TRP 47 -6.123 15.901 -1.648 347 HA TRP 47 HA TRP 47 -4.980 13.833 -3.060 348 1HB TRP 47 2HB TRP 47 -4.792 16.793 -3.568 349 2HB TRP 47 1HB TRP 47 -4.323 15.542 -4.702 350 HD1 TRP 47 HD TRP 47 -6.190 14.439 -6.122 351 HE1 TRP 47 1HE TRP 47 -8.684 14.930 -6.470 352 HE3 TRP 47 3HE TRP 47 -6.960 17.601 -2.175 353 HZ2 TRP 47 2HZ TRP 47 -10.719 16.417 -5.226 354 HZ3 TRP 47 3HZ TRP 47 -9.220 18.509 -1.832 355 HH2 TRP 47 HH TRP 47 -11.053 17.931 -3.319 356 H GLU 48 H GLU 48 -3.313 16.595 -1.508 357 HA GLU 48 HA GLU 48 -1.173 17.139 -1.179 358 1HB GLU 48 2HB GLU 48 -0.689 14.141 -1.319 359 2HB GLU 48 1HB GLU 48 0.602 15.279 -0.998 360 1HG GLU 48 2HG GLU 48 -0.622 16.033 1.023 361 2HG GLU 48 1HG GLU 48 -1.837 14.796 0.708 362 H GLU 49 H GLU 49 -1.201 14.660 -3.665 363 HA GLU 49 HA GLU 49 -0.766 14.649 -5.832 364 1HB GLU 49 2HB GLU 49 -0.524 17.641 -5.624 365 2HB GLU 49 1HB GLU 49 -0.581 16.733 -7.126 366 1HG GLU 49 2HG GLU 49 -2.808 15.910 -6.561 367 2HG GLU 49 1HG GLU 49 -2.732 16.795 -5.036 368 H GLU 50 H GLU 50 1.545 15.901 -3.717 369 HA GLU 50 HA GLU 50 3.777 15.773 -3.609 370 1HB GLU 50 2HB GLU 50 3.572 14.064 -6.101 371 2HB GLU 50 1HB GLU 50 5.054 14.325 -5.200 372 1HG GLU 50 2HG GLU 50 2.566 12.969 -4.170 373 2HG GLU 50 1HG GLU 50 4.067 12.182 -4.663 374 H GLN 51 H GLN 51 2.887 16.227 -6.976 375 HA GLN 51 HA GLN 51 3.826 18.880 -7.121 376 1HB GLN 51 2HB GLN 51 6.040 17.773 -6.978 377 2HB GLN 51 1HB GLN 51 5.633 16.825 -8.397 378 1HG GLN 51 2HG GLN 51 5.541 18.842 -9.744 379 2HG GLN 51 1HG GLN 51 5.900 19.815 -8.318 380 1HE2 GLN 51 1HE2 GLN 51 7.362 19.505 -10.816 381 2HE2 GLN 51 2HE2 GLN 51 8.943 18.971 -10.354 382 H VAL 52 H VAL 52 3.192 15.862 -8.792 383 HA VAL 52 HA VAL 52 2.219 17.290 -11.125 384 HB VAL 52 HB VAL 52 1.879 15.048 -12.126 385 1HG1 VAL 52 1HG1 VAL 52 4.611 15.460 -10.930 386 2HG1 VAL 52 2HG1 VAL 52 4.007 16.174 -12.423 387 3HG1 VAL 52 3HG1 VAL 52 4.238 14.427 -12.309 388 1HG2 VAL 52 1HG2 VAL 52 2.722 13.040 -10.965 389 2HG2 VAL 52 2HG2 VAL 52 1.379 13.777 -10.093 390 3HG2 VAL 52 3HG2 VAL 52 3.029 14.011 -9.526 391 H SER 53 H SER 53 0.081 16.335 -12.030 392 HA SER 53 HA SER 53 -1.745 15.764 -9.849 393 1HB SER 53 2HB SER 53 -1.764 18.224 -10.261 394 2HB SER 53 1HB SER 53 -2.260 17.912 -11.924 395 HG SER 53 HG SER 53 -3.603 17.617 -9.516 396 H SER 54 H SER 54 -1.997 13.714 -10.537 397 HA SER 54 HA SER 54 -3.825 13.278 -12.672 398 1HB SER 54 2HB SER 54 -1.044 12.053 -12.815 399 2HB SER 54 1HB SER 54 -2.415 11.534 -13.799 400 HG SER 54 HG SER 54 -1.887 14.228 -13.835 401 HA PRO 55 HA PRO 55 -4.655 10.397 -9.274 402 1HB PRO 55 2HB PRO 55 -7.036 9.476 -10.229 403 2HB PRO 55 1HB PRO 55 -6.877 11.035 -9.414 404 1HG PRO 55 2HG PRO 55 -7.023 10.437 -12.343 405 2HG PRO 55 1HG PRO 55 -7.796 11.739 -11.429 406 1HD PRO 55 2HD PRO 55 -5.550 12.104 -12.904 407 2HD PRO 55 1HD PRO 55 -5.897 13.049 -11.441 408 H ASN 56 H ASN 56 -4.292 9.821 -12.567 409 HA ASN 56 HA ASN 56 -4.682 6.993 -12.667 410 1HB ASN 56 2HB ASN 56 -3.390 8.878 -14.634 411 2HB ASN 56 1HB ASN 56 -3.732 7.182 -14.960 412 1HD2 ASN 56 1HD2 ASN 56 -4.726 9.642 -16.237 413 2HD2 ASN 56 2HD2 ASN 56 -6.442 9.560 -16.102 414 H ILE 57 H ILE 57 -2.259 8.666 -11.204 415 HA ILE 57 HA ILE 57 -0.062 7.108 -12.103 416 HB ILE 57 HB ILE 57 1.199 8.203 -10.252 417 1HG1 ILE 57 2HG1 ILE 57 0.017 10.208 -9.148 418 2HG1 ILE 57 1HG1 ILE 57 -1.480 9.407 -9.580 419 1HG2 ILE 57 1HG2 ILE 57 1.069 9.218 -12.425 420 2HG2 ILE 57 2HG2 ILE 57 1.144 10.452 -11.162 421 3HG2 ILE 57 3HG2 ILE 57 -0.391 10.088 -11.960 422 1HD1 ILE 57 1HD1 ILE 57 -0.931 8.925 -7.294 423 2HD1 ILE 57 2HD1 ILE 57 0.669 8.354 -7.766 424 3HD1 ILE 57 3HD1 ILE 57 -0.761 7.453 -8.254 425 H LEU 58 H LEU 58 -2.540 6.706 -9.820 426 HA LEU 58 HA LEU 58 -1.193 4.573 -8.369 427 1HB LEU 58 2HB LEU 58 -4.045 5.600 -8.230 428 2HB LEU 58 1HB LEU 58 -3.343 4.347 -7.227 429 HG LEU 58 HG LEU 58 -2.474 7.246 -7.197 430 1HD1 LEU 58 1HD1 LEU 58 -3.607 7.378 -5.062 431 2HD1 LEU 58 2HD1 LEU 58 -4.170 5.720 -5.233 432 3HD1 LEU 58 3HD1 LEU 58 -4.748 6.967 -6.341 433 1HD2 LEU 58 1HD2 LEU 58 -1.282 6.599 -5.164 434 2HD2 LEU 58 2HD2 LEU 58 -0.706 5.684 -6.555 435 3HD2 LEU 58 3HD2 LEU 58 -1.793 4.926 -5.390 436 H ARG 59 H ARG 59 -1.311 2.504 -9.086 437 HA ARG 59 HA ARG 59 -3.517 1.883 -10.884 438 1HB ARG 59 2HB ARG 59 -1.379 2.535 -12.056 439 2HB ARG 59 1HB ARG 59 -0.698 1.052 -11.379 440 1HG ARG 59 2HG ARG 59 -1.369 0.670 -13.652 441 2HG ARG 59 1HG ARG 59 -2.431 -0.224 -12.553 442 1HD ARG 59 2HD ARG 59 -4.145 1.413 -12.754 443 2HD ARG 59 1HD ARG 59 -3.087 2.493 -13.651 444 HE ARG 59 HE ARG 59 -3.356 0.025 -14.980 445 1HH1 ARG 59 1HH1 ARG 59 -5.024 3.032 -14.325 446 2HH1 ARG 59 2HH1 ARG 59 -6.020 2.980 -15.701 447 1HH2 ARG 59 1HH2 ARG 59 -4.667 -0.079 -16.895 448 2HH2 ARG 59 2HH2 ARG 59 -5.802 1.145 -17.236 449 H LEU 60 H LEU 60 -4.187 -0.211 -10.711 450 HA LEU 60 HA LEU 60 -2.871 -1.738 -8.622 451 1HB LEU 60 2HB LEU 60 -5.098 -2.670 -8.094 452 2HB LEU 60 1HB LEU 60 -4.980 -0.949 -7.831 453 HG LEU 60 HG LEU 60 -6.024 -0.838 -10.230 454 1HD1 LEU 60 1HD1 LEU 60 -5.991 -3.167 -10.739 455 2HD1 LEU 60 2HD1 LEU 60 -7.657 -2.585 -10.649 456 3HD1 LEU 60 3HD1 LEU 60 -6.981 -3.529 -9.322 457 1HD2 LEU 60 1HD2 LEU 60 -6.978 0.011 -8.103 458 2HD2 LEU 60 2HD2 LEU 60 -7.825 -1.561 -7.938 459 3HD2 LEU 60 3HD2 LEU 60 -8.133 -0.517 -9.297 460 H ILE 61 H ILE 61 -2.328 -3.762 -8.977 461 HA ILE 61 HA ILE 61 -2.791 -4.839 -11.651 462 HB ILE 61 HB ILE 61 -0.692 -5.438 -9.600 463 1HG1 ILE 61 2HG1 ILE 61 -0.420 -4.005 -12.236 464 2HG1 ILE 61 1HG1 ILE 61 -0.411 -3.229 -10.658 465 1HG2 ILE 61 1HG2 ILE 61 -0.997 -6.461 -12.443 466 2HG2 ILE 61 2HG2 ILE 61 -1.191 -7.409 -10.967 467 3HG2 ILE 61 3HG2 ILE 61 0.396 -6.775 -11.406 468 1HD1 ILE 61 1HD1 ILE 61 1.847 -3.470 -11.549 469 2HD1 ILE 61 2HD1 ILE 61 1.618 -5.214 -11.687 470 3HD1 ILE 61 3HD1 ILE 61 1.648 -4.452 -10.097 471 H TYR 62 H TYR 62 -4.202 -6.422 -11.647 472 HA TYR 62 HA TYR 62 -4.576 -7.972 -9.206 473 1HB TYR 62 2HB TYR 62 -6.575 -6.847 -10.393 474 2HB TYR 62 1HB TYR 62 -6.281 -7.938 -11.734 475 HD1 TYR 62 1HD TYR 62 -6.519 -8.342 -8.043 476 HD2 TYR 62 2HD TYR 62 -7.946 -9.564 -11.845 477 HE1 TYR 62 1HE TYR 62 -8.013 -9.918 -6.947 478 HE2 TYR 62 2HE TYR 62 -9.494 -11.156 -10.757 479 HH TYR 62 HH TYR 62 -9.498 -12.411 -8.576 480 H GLN 63 H GLN 63 -3.197 -9.649 -9.217 481 HA GLN 63 HA GLN 63 -1.160 -9.917 -10.572 482 1HB GLN 63 2HB GLN 63 -1.804 -11.216 -8.573 483 2HB GLN 63 1HB GLN 63 -2.631 -12.359 -9.626 484 1HG GLN 63 2HG GLN 63 -0.611 -12.611 -10.824 485 2HG GLN 63 1HG GLN 63 0.255 -11.651 -9.664 486 1HE2 GLN 63 1HE2 GLN 63 0.694 -14.463 -10.255 487 2HE2 GLN 63 2HE2 GLN 63 0.518 -15.338 -8.781 488 H GLY 64 H GLY 64 -0.994 -9.576 -12.524 489 1HA GLY 64 2HA GLY 64 -0.752 -11.180 -14.567 490 2HA GLY 64 1HA GLY 64 -2.511 -11.051 -14.522 491 H ARG 65 H ARG 65 -3.302 -8.699 -14.315 492 HA ARG 65 HA ARG 65 -1.658 -6.963 -16.036 493 1HB ARG 65 2HB ARG 65 -3.647 -6.271 -17.277 494 2HB ARG 65 1HB ARG 65 -3.342 -7.988 -17.467 495 1HG ARG 65 2HG ARG 65 -5.138 -8.550 -16.011 496 2HG ARG 65 1HG ARG 65 -5.325 -6.871 -15.502 497 1HD ARG 65 2HD ARG 65 -5.790 -7.905 -18.303 498 2HD ARG 65 1HD ARG 65 -7.055 -7.558 -17.120 499 HE ARG 65 HE ARG 65 -5.314 -5.333 -17.567 500 1HH1 ARG 65 1HH1 ARG 65 -8.189 -6.981 -18.828 501 2HH1 ARG 65 2HH1 ARG 65 -8.781 -5.602 -19.627 502 1HH2 ARG 65 1HH2 ARG 65 -6.147 -3.454 -18.667 503 2HH2 ARG 65 2HH2 ARG 65 -7.587 -3.562 -19.547 504 H PHE 66 H PHE 66 -2.698 -4.665 -16.133 505 HA PHE 66 HA PHE 66 -3.275 -3.817 -13.389 506 1HB PHE 66 2HB PHE 66 -2.900 -1.984 -15.808 507 2HB PHE 66 1HB PHE 66 -2.771 -1.617 -14.127 508 HD1 PHE 66 1HD PHE 66 -1.067 -3.501 -16.831 509 HD2 PHE 66 2HD PHE 66 -0.712 -1.602 -13.042 510 HE1 PHE 66 1HE PHE 66 1.378 -3.713 -16.960 511 HE2 PHE 66 2HE PHE 66 1.733 -1.821 -13.163 512 HZ PHE 66 HZ PHE 66 2.782 -2.876 -15.122 513 H LEU 67 H LEU 67 -5.431 -3.708 -12.938 514 HA LEU 67 HA LEU 67 -7.274 -3.799 -15.176 515 1HB LEU 67 2HB LEU 67 -7.823 -3.905 -12.230 516 2HB LEU 67 1HB LEU 67 -9.088 -3.916 -13.442 517 HG LEU 67 HG LEU 67 -6.932 -6.014 -13.147 518 1HD1 LEU 67 1HD1 LEU 67 -9.868 -6.072 -12.421 519 2HD1 LEU 67 2HD1 LEU 67 -8.497 -6.079 -11.335 520 3HD1 LEU 67 3HD1 LEU 67 -8.769 -7.452 -12.386 521 1HD2 LEU 67 1HD2 LEU 67 -7.663 -5.777 -15.470 522 2HD2 LEU 67 2HD2 LEU 67 -9.344 -5.890 -14.951 523 3HD2 LEU 67 3HD2 LEU 67 -8.271 -7.275 -14.765 524 H HIS 68 H HIS 68 -6.756 -1.415 -12.574 525 HA HIS 68 HA HIS 68 -7.411 0.677 -14.363 526 1HB HIS 68 2HB HIS 68 -9.636 -0.523 -13.071 527 2HB HIS 68 1HB HIS 68 -9.366 1.029 -12.282 528 HD1 HIS 68 1HD HIS 68 -10.643 2.875 -13.372 529 HD2 HIS 68 2HD HIS 68 -9.637 -0.100 -16.081 530 HE1 HIS 68 1HE HIS 68 -11.703 3.537 -15.536 531 HE2 HIS 68 2HE HIS 68 -10.726 1.964 -17.177 532 H GLY 69 H GLY 69 -7.679 2.800 -13.007 533 1HA GLY 69 2HA GLY 69 -5.436 2.814 -11.201 534 2HA GLY 69 1HA GLY 69 -6.286 4.199 -11.850 535 H ASN 70 H ASN 70 -8.628 2.132 -10.499 536 HA ASN 70 HA ASN 70 -8.487 2.995 -7.777 537 1HB ASN 70 2HB ASN 70 -8.761 5.202 -9.083 538 2HB ASN 70 1HB ASN 70 -10.383 4.654 -9.466 539 1HD2 ASN 70 1HD2 ASN 70 -8.656 4.251 -6.362 540 2HD2 ASN 70 2HD2 ASN 70 -9.743 5.233 -5.475 541 H VAL 71 H VAL 71 -9.402 0.721 -9.567 542 HA VAL 71 HA VAL 71 -12.298 0.660 -9.237 543 HB VAL 71 HB VAL 71 -11.241 -0.215 -11.340 544 1HG1 VAL 71 1HG1 VAL 71 -9.249 -1.158 -10.651 545 2HG1 VAL 71 2HG1 VAL 71 -10.223 -2.469 -11.321 546 3HG1 VAL 71 3HG1 VAL 71 -10.065 -2.279 -9.570 547 1HG2 VAL 71 1HG2 VAL 71 -12.505 -2.293 -11.514 548 2HG2 VAL 71 2HG2 VAL 71 -13.437 -0.989 -10.768 549 3HG2 VAL 71 3HG2 VAL 71 -12.724 -2.267 -9.765 550 H THR 72 H THR 72 -13.461 -0.776 -8.006 551 HA THR 72 HA THR 72 -12.274 -1.220 -5.447 552 HB THR 72 HB THR 72 -14.583 -1.916 -4.814 553 HG1 THR 72 1HG THR 72 -16.130 -2.102 -6.302 554 1HG2 THR 72 1HG2 THR 72 -13.920 0.442 -4.716 555 2HG2 THR 72 2HG2 THR 72 -15.618 0.284 -5.177 556 3HG2 THR 72 3HG2 THR 72 -14.398 0.651 -6.400 557 H LEU 73 H LEU 73 -12.418 -3.252 -4.251 558 HA LEU 73 HA LEU 73 -11.362 -5.443 -5.684 559 1HB LEU 73 2HB LEU 73 -12.595 -5.456 -2.943 560 2HB LEU 73 1HB LEU 73 -11.530 -6.659 -3.625 561 HG LEU 73 HG LEU 73 -10.202 -5.530 -2.176 562 1HD1 LEU 73 1HD1 LEU 73 -9.683 -4.225 -4.794 563 2HD1 LEU 73 2HD1 LEU 73 -9.037 -5.755 -4.195 564 3HD1 LEU 73 3HD1 LEU 73 -8.573 -4.235 -3.429 565 1HD2 LEU 73 1HD2 LEU 73 -10.030 -3.140 -1.895 566 2HD2 LEU 73 2HD2 LEU 73 -11.675 -3.699 -1.599 567 3HD2 LEU 73 3HD2 LEU 73 -11.270 -2.880 -3.109 568 H GLY 74 H GLY 74 -14.609 -4.612 -4.606 569 1HA GLY 74 2HA GLY 74 -15.865 -7.070 -5.084 570 2HA GLY 74 1HA GLY 74 -16.638 -5.488 -5.180 571 H ALA 75 H ALA 75 -14.929 -4.475 -7.248 572 HA ALA 75 HA ALA 75 -16.304 -5.546 -9.520 573 1HB ALA 75 1HB ALA 75 -14.242 -3.342 -9.316 574 2HB ALA 75 2HB ALA 75 -15.981 -3.124 -9.287 575 3HB ALA 75 3HB ALA 75 -15.192 -3.716 -10.746 576 H LEU 76 H LEU 76 -13.347 -6.167 -7.960 577 HA LEU 76 HA LEU 76 -11.902 -7.138 -10.285 578 1HB LEU 76 2HB LEU 76 -11.338 -7.522 -7.369 579 2HB LEU 76 1HB LEU 76 -10.227 -7.780 -8.692 580 HG LEU 76 HG LEU 76 -11.286 -5.095 -7.790 581 1HD1 LEU 76 1HD1 LEU 76 -9.078 -4.766 -6.986 582 2HD1 LEU 76 2HD1 LEU 76 -8.597 -6.346 -7.593 583 3HD1 LEU 76 3HD1 LEU 76 -9.726 -6.241 -6.255 584 1HD2 LEU 76 1HD2 LEU 76 -9.212 -5.893 -9.701 585 2HD2 LEU 76 2HD2 LEU 76 -9.623 -4.223 -9.288 586 3HD2 LEU 76 3HD2 LEU 76 -10.773 -5.240 -10.202 587 H LYS 77 H LYS 77 -14.395 -8.219 -8.468 588 HA LYS 77 HA LYS 77 -15.471 -10.133 -8.119 589 1HB LYS 77 2HB LYS 77 -13.489 -11.431 -10.018 590 2HB LYS 77 1HB LYS 77 -14.900 -12.244 -9.369 591 1HG LYS 77 2HG LYS 77 -15.366 -11.610 -11.611 592 2HG LYS 77 1HG LYS 77 -16.292 -10.527 -10.573 593 1HD LYS 77 2HD LYS 77 -14.517 -8.837 -10.830 594 2HD LYS 77 1HD LYS 77 -13.658 -9.920 -11.904 595 1HE LYS 77 2HE LYS 77 -15.473 -9.860 -13.502 596 2HE LYS 77 1HE LYS 77 -16.477 -8.924 -12.410 597 1HZ LYS 77 1HZ LYS 77 -15.528 -7.482 -14.019 598 2HZ LYS 77 2HZ LYS 77 -13.965 -8.028 -13.706 599 3HZ LYS 77 3HZ LYS 77 -14.809 -7.148 -12.530 600 H LEU 78 H LEU 78 -14.605 -9.749 -5.985 601 HA LEU 78 HA LEU 78 -12.968 -12.030 -5.189 602 1HB LEU 78 2HB LEU 78 -13.159 -9.310 -3.946 603 2HB LEU 78 1HB LEU 78 -12.705 -10.691 -2.981 604 HG LEU 78 HG LEU 78 -10.762 -11.041 -4.490 605 1HD1 LEU 78 1HD1 LEU 78 -10.050 -9.242 -5.943 606 2HD1 LEU 78 2HD1 LEU 78 -11.574 -8.407 -5.619 607 3HD1 LEU 78 3HD1 LEU 78 -11.580 -9.962 -6.463 608 1HD2 LEU 78 1HD2 LEU 78 -9.470 -9.142 -3.602 609 2HD2 LEU 78 2HD2 LEU 78 -10.476 -9.959 -2.414 610 3HD2 LEU 78 3HD2 LEU 78 -10.989 -8.408 -3.060 611 HA PRO 79 HA PRO 79 -16.710 -13.319 -3.147 612 1HB PRO 79 2HB PRO 79 -14.987 -15.530 -2.257 613 2HB PRO 79 1HB PRO 79 -16.470 -15.601 -3.211 614 1HG PRO 79 2HG PRO 79 -14.062 -16.130 -4.317 615 2HG PRO 79 1HG PRO 79 -15.367 -15.346 -5.207 616 1HD PRO 79 2HD PRO 79 -12.931 -14.088 -3.978 617 2HD PRO 79 1HD PRO 79 -13.756 -13.776 -5.519 618 H PHE 80 H PHE 80 -17.252 -13.052 -1.034 619 HA PHE 80 HA PHE 80 -15.396 -11.657 0.633 620 1HB PHE 80 2HB PHE 80 -18.100 -12.793 1.399 621 2HB PHE 80 1HB PHE 80 -17.181 -11.584 2.278 622 HD1 PHE 80 1HD PHE 80 -16.470 -10.212 -0.573 623 HD2 PHE 80 2HD PHE 80 -20.005 -11.297 1.510 624 HE1 PHE 80 1HE PHE 80 -17.696 -8.447 -1.760 625 HE2 PHE 80 2HE PHE 80 -21.249 -9.536 0.323 626 HZ PHE 80 HZ PHE 80 -20.093 -8.109 -1.315 627 H GLY 81 H GLY 81 -14.338 -12.386 2.418 628 1HA GLY 81 2HA GLY 81 -13.847 -13.878 4.127 629 2HA GLY 81 1HA GLY 81 -14.852 -15.090 3.365 630 H LYS 82 H LYS 82 -13.109 -14.073 0.864 631 HA LYS 82 HA LYS 82 -11.182 -16.187 1.342 632 1HB LYS 82 2HB LYS 82 -12.109 -15.008 -1.242 633 2HB LYS 82 1HB LYS 82 -10.876 -16.251 -1.086 634 1HG LYS 82 2HG LYS 82 -12.583 -17.677 0.060 635 2HG LYS 82 1HG LYS 82 -13.775 -16.439 -0.379 636 1HD LYS 82 2HD LYS 82 -13.177 -16.645 -2.652 637 2HD LYS 82 1HD LYS 82 -11.996 -17.893 -2.290 638 1HE LYS 82 2HE LYS 82 -13.793 -19.325 -1.382 639 2HE LYS 82 1HE LYS 82 -14.974 -18.094 -1.828 640 1HZ LYS 82 1HZ LYS 82 -13.202 -19.487 -3.758 641 2HZ LYS 82 2HZ LYS 82 -14.445 -18.414 -4.137 642 3HZ LYS 82 3HZ LYS 82 -14.805 -19.898 -3.456 643 H THR 83 H THR 83 -9.040 -15.992 0.646 644 HA THR 83 HA THR 83 -7.934 -13.358 1.099 645 HB THR 83 HB THR 83 -6.554 -16.023 0.758 646 HG1 THR 83 1HG THR 83 -7.111 -14.665 3.173 647 1HG2 THR 83 1HG2 THR 83 -4.715 -14.899 1.932 648 2HG2 THR 83 2HG2 THR 83 -5.675 -13.421 2.030 649 3HG2 THR 83 3HG2 THR 83 -5.131 -14.016 0.458 650 H THR 84 H THR 84 -7.522 -12.142 -0.544 651 HA THR 84 HA THR 84 -6.651 -13.388 -3.073 652 HB THR 84 HB THR 84 -8.223 -10.813 -2.750 653 HG1 THR 84 1HG THR 84 -9.733 -12.279 -2.424 654 1HG2 THR 84 1HG2 THR 84 -8.523 -10.969 -5.179 655 2HG2 THR 84 2HG2 THR 84 -7.560 -12.440 -5.221 656 3HG2 THR 84 3HG2 THR 84 -6.804 -10.903 -4.790 657 H VAL 85 H VAL 85 -4.837 -12.510 -4.045 658 HA VAL 85 HA VAL 85 -3.391 -10.486 -2.477 659 HB VAL 85 HB VAL 85 -2.295 -12.689 -2.509 660 1HG1 VAL 85 1HG1 VAL 85 -3.149 -13.587 -4.562 661 2HG1 VAL 85 2HG1 VAL 85 -1.382 -13.616 -4.619 662 3HG1 VAL 85 3HG1 VAL 85 -2.282 -12.378 -5.498 663 1HG2 VAL 85 1HG2 VAL 85 -0.094 -12.010 -3.343 664 2HG2 VAL 85 2HG2 VAL 85 -0.872 -10.726 -2.417 665 3HG2 VAL 85 3HG2 VAL 85 -0.841 -10.652 -4.179 666 H MET 86 H MET 86 -2.509 -8.690 -3.530 667 HA MET 86 HA MET 86 -2.854 -8.515 -6.431 668 1HB MET 86 2HB MET 86 -3.865 -6.459 -4.482 669 2HB MET 86 1HB MET 86 -3.695 -6.206 -6.210 670 1HG MET 86 2HG MET 86 -5.276 -8.017 -6.607 671 2HG MET 86 1HG MET 86 -5.487 -8.204 -4.870 672 1HE MET 86 1HE MET 86 -5.026 -4.819 -6.923 673 2HE MET 86 2HE MET 86 -6.732 -4.454 -7.238 674 3HE MET 86 3HE MET 86 -5.995 -5.872 -7.961 675 H HIS 87 H HIS 87 -1.598 -6.928 -7.439 676 HA HIS 87 HA HIS 87 0.646 -6.006 -5.764 677 1HB HIS 87 2HB HIS 87 0.638 -6.415 -8.793 678 2HB HIS 87 1HB HIS 87 1.910 -5.687 -7.797 679 HD1 HIS 87 1HD HIS 87 3.556 -7.192 -6.731 680 HD2 HIS 87 2HD HIS 87 0.393 -9.331 -8.421 681 HE1 HIS 87 1HE HIS 87 4.198 -9.612 -6.608 682 HE2 HIS 87 2HE HIS 87 2.141 -10.832 -7.335 683 H LEU 88 H LEU 88 1.114 -3.828 -5.680 684 HA LEU 88 HA LEU 88 -0.731 -2.088 -7.184 685 1HB LEU 88 2HB LEU 88 0.186 -1.728 -4.323 686 2HB LEU 88 1HB LEU 88 -0.768 -0.577 -5.225 687 HG LEU 88 HG LEU 88 -2.202 -1.699 -3.701 688 1HD1 LEU 88 1HD1 LEU 88 -3.868 -2.703 -5.144 689 2HD1 LEU 88 2HD1 LEU 88 -2.688 -2.778 -6.448 690 3HD1 LEU 88 3HD1 LEU 88 -3.204 -1.214 -5.815 691 1HD2 LEU 88 1HD2 LEU 88 -2.540 -4.158 -3.741 692 2HD2 LEU 88 2HD2 LEU 88 -0.926 -3.686 -3.228 693 3HD2 LEU 88 3HD2 LEU 88 -1.189 -4.287 -4.865 694 H VAL 89 H VAL 89 0.151 -0.415 -8.213 695 HA VAL 89 HA VAL 89 2.899 0.306 -7.541 696 HB VAL 89 HB VAL 89 3.454 0.608 -9.942 697 1HG1 VAL 89 1HG1 VAL 89 2.480 -2.161 -9.311 698 2HG1 VAL 89 2HG1 VAL 89 4.070 -1.493 -8.938 699 3HG1 VAL 89 3HG1 VAL 89 3.584 -1.735 -10.615 700 1HG2 VAL 89 1HG2 VAL 89 0.757 -0.634 -10.487 701 2HG2 VAL 89 2HG2 VAL 89 1.994 -0.274 -11.699 702 3HG2 VAL 89 3HG2 VAL 89 1.224 1.037 -10.807 703 H ALA 90 H ALA 90 3.345 2.446 -7.512 704 HA ALA 90 HA ALA 90 1.212 4.286 -8.336 705 1HB ALA 90 1HB ALA 90 2.616 4.345 -5.667 706 2HB ALA 90 2HB ALA 90 0.940 3.865 -5.943 707 3HB ALA 90 3HB ALA 90 1.446 5.527 -6.251 708 H ARG 91 H ARG 91 2.001 5.910 -9.529 709 HA ARG 91 HA ARG 91 4.855 6.370 -9.601 710 1HB ARG 91 2HB ARG 91 3.889 6.515 -11.730 711 2HB ARG 91 1HB ARG 91 2.547 7.509 -11.222 712 1HG ARG 91 2HG ARG 91 4.177 9.347 -10.749 713 2HG ARG 91 1HG ARG 91 5.448 8.336 -11.437 714 1HD ARG 91 2HD ARG 91 4.379 8.353 -13.562 715 2HD ARG 91 1HD ARG 91 2.946 9.132 -12.899 716 HE ARG 91 HE ARG 91 5.014 10.844 -12.361 717 1HH1 ARG 91 1HH1 ARG 91 3.555 9.406 -15.259 718 2HH1 ARG 91 2HH1 ARG 91 3.958 10.682 -16.295 719 1HH2 ARG 91 1HH2 ARG 91 5.550 12.635 -13.767 720 2HH2 ARG 91 2HH2 ARG 91 5.110 12.591 -15.417 721 H GLU 92 H GLU 92 5.800 7.603 -8.186 722 HA GLU 92 HA GLU 92 6.353 9.297 -6.867 723 1HB GLU 92 2HB GLU 92 4.157 10.797 -8.315 724 2HB GLU 92 1HB GLU 92 5.359 11.546 -7.255 725 1HG GLU 92 2HG GLU 92 7.157 10.722 -8.688 726 2HG GLU 92 1HG GLU 92 5.984 9.962 -9.740 727 H THR 93 H THR 93 3.621 7.758 -6.589 728 HA THR 93 HA THR 93 2.353 7.075 -4.885 729 HB THR 93 HB THR 93 4.610 8.051 -3.119 730 HG1 THR 93 1HG THR 93 5.739 6.617 -4.118 731 1HG2 THR 93 1HG2 THR 93 2.639 5.772 -2.840 732 2HG2 THR 93 2HG2 THR 93 2.607 7.279 -1.918 733 3HG2 THR 93 3HG2 THR 93 3.940 6.148 -1.709 734 H LEU 94 H LEU 94 0.738 8.677 -5.342 735 HA LEU 94 HA LEU 94 0.542 10.882 -3.453 736 1HB LEU 94 2HB LEU 94 -1.171 10.118 -5.841 737 2HB LEU 94 1HB LEU 94 -1.610 11.364 -4.723 738 HG LEU 94 HG LEU 94 0.300 12.739 -5.409 739 1HD1 LEU 94 1HD1 LEU 94 1.717 12.129 -7.299 740 2HD1 LEU 94 2HD1 LEU 94 0.974 10.527 -7.337 741 3HD1 LEU 94 3HD1 LEU 94 1.929 11.023 -5.942 742 1HD2 LEU 94 1HD2 LEU 94 -0.415 13.232 -7.692 743 2HD2 LEU 94 2HD2 LEU 94 -1.795 12.959 -6.624 744 3HD2 LEU 94 3HD2 LEU 94 -1.283 11.700 -7.747 745 HA PRO 95 HA PRO 95 -1.987 8.511 -0.710 746 1HB PRO 95 2HB PRO 95 -3.374 10.515 0.460 747 2HB PRO 95 1HB PRO 95 -1.697 10.135 0.855 748 1HG PRO 95 2HG PRO 95 -2.796 12.270 -0.913 749 2HG PRO 95 1HG PRO 95 -1.445 12.342 0.230 750 1HD PRO 95 2HD PRO 95 -1.094 12.107 -2.441 751 2HD PRO 95 1HD PRO 95 0.027 11.402 -1.260 752 H GLU 96 H GLU 96 -3.978 11.195 -1.897 753 HA GLU 96 HA GLU 96 -6.081 9.222 -2.197 754 1HB GLU 96 2HB GLU 96 -6.455 10.861 -0.421 755 2HB GLU 96 1HB GLU 96 -6.248 12.165 -1.580 756 1HG GLU 96 2HG GLU 96 -8.240 11.467 -2.749 757 2HG GLU 96 1HG GLU 96 -8.398 10.098 -1.642 758 HA PRO 97 HA PRO 97 -5.601 10.064 -6.536 759 1HB PRO 97 2HB PRO 97 -8.018 8.932 -7.294 760 2HB PRO 97 1HB PRO 97 -6.506 8.047 -7.096 761 1HG PRO 97 2HG PRO 97 -8.799 8.339 -5.215 762 2HG PRO 97 1HG PRO 97 -7.787 6.915 -5.528 763 1HD PRO 97 2HD PRO 97 -7.500 8.420 -3.339 764 2HD PRO 97 1HD PRO 97 -6.097 7.676 -4.135 765 H ASN 98 H ASN 98 -8.913 10.506 -5.245 766 HA ASN 98 HA ASN 98 -8.957 13.279 -5.882 767 1HB ASN 98 2HB ASN 98 -9.036 12.263 -8.210 768 2HB ASN 98 1HB ASN 98 -10.606 11.592 -7.802 769 1HD2 ASN 98 1HD2 ASN 98 -12.413 12.924 -7.967 770 2HD2 ASN 98 2HD2 ASN 98 -12.317 14.556 -8.480 771 H SER 99 H SER 99 -9.789 11.293 -3.787 772 HA SER 99 HA SER 99 -11.338 11.145 -2.117 773 1HB SER 99 2HB SER 99 -12.660 13.574 -3.375 774 2HB SER 99 1HB SER 99 -12.807 13.039 -1.708 775 HG SER 99 HG SER 99 -10.304 13.430 -1.795 776 H GLN 100 H GLN 100 -11.950 10.094 -5.002 777 HA GLN 100 HA GLN 100 -14.826 10.345 -5.039 778 1HB GLN 100 2HB GLN 100 -14.709 9.162 -7.239 779 2HB GLN 100 1HB GLN 100 -13.922 10.718 -7.155 780 1HG GLN 100 2HG GLN 100 -11.744 9.613 -6.988 781 2HG GLN 100 1HG GLN 100 -12.544 8.042 -7.055 782 1HE2 GLN 100 1HE2 GLN 100 -13.342 7.300 -9.005 783 2HE2 GLN 100 2HE2 GLN 100 -13.053 8.101 -10.494 784 H GLY 101 H GLY 101 -12.564 7.545 -4.925 785 1HA GLY 101 2HA GLY 101 -13.000 5.382 -4.426 786 2HA GLY 101 1HA GLY 101 -14.363 5.965 -3.464 787 H GLN 102 H GLN 102 -13.930 6.543 -6.853 788 HA GLN 102 HA GLN 102 -16.215 4.805 -7.522 789 1HB GLN 102 2HB GLN 102 -15.606 7.578 -8.596 790 2HB GLN 102 1HB GLN 102 -16.899 6.534 -9.165 791 1HG GLN 102 2HG GLN 102 -18.012 6.665 -7.039 792 2HG GLN 102 1HG GLN 102 -16.676 7.588 -6.353 793 1HE2 GLN 102 1HE2 GLN 102 -19.485 8.264 -6.581 794 2HE2 GLN 102 2HE2 GLN 102 -19.550 9.748 -7.459 795 H ARG 103 H ARG 103 -16.177 4.321 -9.952 796 HA ARG 103 HA ARG 103 -13.460 3.536 -10.482 797 1HB ARG 103 2HB ARG 103 -15.398 1.970 -10.765 798 2HB ARG 103 1HB ARG 103 -15.907 2.937 -12.139 799 1HG ARG 103 2HG ARG 103 -13.793 2.440 -13.269 800 2HG ARG 103 1HG ARG 103 -13.301 1.450 -11.895 801 1HD ARG 103 2HD ARG 103 -14.149 -0.032 -13.544 802 2HD ARG 103 1HD ARG 103 -15.359 0.072 -12.275 803 HE ARG 103 HE ARG 103 -15.658 1.815 -14.583 804 1HH1 ARG 103 1HH1 ARG 103 -16.832 -1.017 -12.796 805 2HH1 ARG 103 2HH1 ARG 103 -18.172 -1.251 -13.822 806 1HH2 ARG 103 1HH2 ARG 103 -17.490 1.456 -15.952 807 2HH2 ARG 103 2HH2 ARG 103 -18.573 0.162 -15.611 808 H ASN 104 H ASN 104 -12.437 5.416 -10.988 809 HA ASN 104 HA ASN 104 -11.342 6.774 -12.491 810 1HB ASN 104 2HB ASN 104 -11.613 4.856 -14.061 811 2HB ASN 104 1HB ASN 104 -13.160 5.508 -14.575 812 1HD2 ASN 104 1HD2 ASN 104 -12.495 5.648 -16.710 813 2HD2 ASN 104 2HD2 ASN 104 -11.330 6.806 -17.258 814 H ARG 105 H ARG 105 -11.947 8.503 -14.360 815 HA ARG 105 HA ARG 105 -13.390 10.610 -13.311 816 1HB ARG 105 2HB ARG 105 -11.767 10.740 -15.169 817 2HB ARG 105 1HB ARG 105 -12.929 9.950 -16.205 818 1HG ARG 105 2HG ARG 105 -14.429 11.815 -16.062 819 2HG ARG 105 1HG ARG 105 -13.391 12.606 -14.871 820 1HD ARG 105 2HD ARG 105 -11.601 12.678 -16.476 821 2HD ARG 105 1HD ARG 105 -12.626 11.891 -17.677 822 HE ARG 105 HE ARG 105 -13.952 14.185 -16.832 823 1HH1 ARG 105 1HH1 ARG 105 -10.920 13.422 -18.590 824 2HH1 ARG 105 2HH1 ARG 105 -10.911 14.878 -19.447 825 1HH2 ARG 105 1HH2 ARG 105 -13.897 16.180 -18.083 826 2HH2 ARG 105 2HH2 ARG 105 -12.625 16.471 -19.173 827 H GLU 106 H GLU 106 -14.447 8.098 -15.572 828 HA GLU 106 HA GLU 106 -17.187 8.572 -14.787 829 1HB GLU 106 2HB GLU 106 -16.413 9.778 -17.056 830 2HB GLU 106 1HB GLU 106 -16.553 8.154 -17.701 831 1HG GLU 106 2HG GLU 106 -18.748 9.825 -16.473 832 2HG GLU 106 1HG GLU 106 -18.571 9.377 -18.162 833 H LYS 107 H LYS 107 -18.341 6.626 -15.052 834 HA LYS 107 HA LYS 107 -16.880 4.313 -14.479 835 1HB LYS 107 2HB LYS 107 -19.775 4.617 -15.250 836 2HB LYS 107 1HB LYS 107 -19.062 3.148 -14.596 837 1HG LYS 107 2HG LYS 107 -18.486 4.313 -12.543 838 2HG LYS 107 1HG LYS 107 -19.136 5.812 -13.208 839 1HD LYS 107 2HD LYS 107 -21.352 4.820 -13.311 840 2HD LYS 107 1HD LYS 107 -20.703 3.295 -12.706 841 1HE LYS 107 2HE LYS 107 -21.785 4.599 -10.924 842 2HE LYS 107 1HE LYS 107 -20.071 4.355 -10.614 843 1HZ LYS 107 1HZ LYS 107 -19.662 6.644 -11.380 844 2HZ LYS 107 2HZ LYS 107 -20.801 6.628 -10.144 845 3HZ LYS 107 3HZ LYS 107 -21.299 6.831 -11.708 846 H THR 108 H THR 108 -18.540 5.246 -17.498 847 HA THR 108 HA THR 108 -16.862 3.242 -18.804 848 HB THR 108 HB THR 108 -18.799 2.784 -20.413 849 HG1 THR 108 1HG THR 108 -20.664 3.546 -20.013 850 1HG2 THR 108 1HG2 THR 108 -19.774 1.054 -18.959 851 2HG2 THR 108 2HG2 THR 108 -19.043 1.830 -17.552 852 3HG2 THR 108 3HG2 THR 108 -18.019 1.120 -18.802 853 H GLY 109 H GLY 109 -18.477 6.318 -18.990 854 1HA GLY 109 2HA GLY 109 -17.670 6.697 -21.737 855 2HA GLY 109 1HA GLY 109 -18.635 7.782 -20.751 856 H GLU 110 H GLU 110 -15.393 6.383 -20.613 857 HA GLU 110 HA GLU 110 -14.299 8.774 -19.540 858 1HB GLU 110 2HB GLU 110 -12.070 7.701 -19.982 859 2HB GLU 110 1HB GLU 110 -13.161 6.715 -19.029 860 1HG GLU 110 2HG GLU 110 -13.690 5.392 -21.026 861 2HG GLU 110 1HG GLU 110 -12.576 6.389 -21.960 862 H SER 111 H SER 111 -14.034 10.539 -20.540 863 HA SER 111 HA SER 111 -14.617 10.649 -23.341 864 1HB SER 111 2HB SER 111 -15.795 12.071 -21.769 865 2HB SER 111 1HB SER 111 -14.283 12.840 -21.303 866 HG SER 111 HG SER 111 -15.029 14.173 -22.780 867 H ASN 112 H ASN 112 -13.143 10.704 -24.831 868 HA ASN 112 HA ASN 112 -10.655 12.178 -24.344 869 1HB ASN 112 2HB ASN 112 -10.378 9.878 -25.330 870 2HB ASN 112 1HB ASN 112 -11.414 10.361 -26.671 871 1HD2 ASN 112 1HD2 ASN 112 -9.839 10.041 -28.200 872 2HD2 ASN 112 2HD2 ASN 112 -8.457 11.047 -28.377 873 H CYS 113 H CYS 113 -11.326 14.208 -24.565 874 HA CYS 113 HA CYS 113 -13.386 14.817 -26.491 875 1HB CYS 113 2HB CYS 113 -13.405 17.056 -25.438 876 2HB CYS 113 1HB CYS 113 -13.676 15.746 -24.300 877 HG CYS 113 HG CYS 113 -10.625 15.980 -23.870 878 H CYS 114 H CYS 114 -13.214 16.910 -27.666 879 HA CYS 114 HA CYS 114 -10.968 16.847 -29.391 880 1HB CYS 114 2HB CYS 114 -13.192 17.400 -30.229 881 2HB CYS 114 1HB CYS 114 -13.284 18.776 -29.142 882 HG CYS 114 HG CYS 114 -12.490 18.860 -32.169 883 H VAL 115 H VAL 115 -9.114 17.498 -28.543 884 HA VAL 115 HA VAL 115 -9.129 19.808 -26.828 885 HB VAL 115 HB VAL 115 -7.802 17.974 -25.970 886 1HG1 VAL 115 1HG1 VAL 115 -5.780 17.166 -27.093 887 2HG1 VAL 115 2HG1 VAL 115 -6.201 18.133 -28.513 888 3HG1 VAL 115 3HG1 VAL 115 -7.250 16.813 -27.994 889 1HG2 VAL 115 1HG2 VAL 115 -6.021 20.195 -26.945 890 2HG2 VAL 115 2HG2 VAL 115 -5.657 19.092 -25.615 891 3HG2 VAL 115 3HG2 VAL 115 -7.014 20.214 -25.491 892 H ILE 116 H ILE 116 -9.169 21.624 -27.729 893 HA ILE 116 HA ILE 116 -7.279 22.196 -29.853 894 HB ILE 116 HB ILE 116 -9.500 21.963 -30.890 895 1HG1 ILE 116 2HG1 ILE 116 -9.755 24.234 -31.896 896 2HG1 ILE 116 1HG1 ILE 116 -8.636 24.852 -30.685 897 1HG2 ILE 116 1HG2 ILE 116 -10.454 24.038 -28.944 898 2HG2 ILE 116 2HG2 ILE 116 -10.920 22.338 -28.998 899 3HG2 ILE 116 3HG2 ILE 116 -11.381 23.419 -30.312 900 1HD1 ILE 116 1HD1 ILE 116 -7.545 24.479 -32.828 901 2HD1 ILE 116 2HD1 ILE 116 -7.986 22.769 -32.761 902 3HD1 ILE 116 3HD1 ILE 116 -6.872 23.441 -31.573 903 H LEU 117 H LEU 117 -6.255 24.141 -29.585 904 HA LEU 117 HA LEU 117 -6.634 25.359 -26.990 905 1HB LEU 117 2HB LEU 117 -4.371 24.613 -27.983 906 2HB LEU 117 1HB LEU 117 -4.518 25.969 -29.065 907 HG LEU 117 HG LEU 117 -4.255 26.106 -26.061 908 1HD1 LEU 117 1HD1 LEU 117 -2.061 27.062 -26.522 909 2HD1 LEU 117 2HD1 LEU 117 -2.313 26.787 -28.245 910 3HD1 LEU 117 3HD1 LEU 117 -2.219 25.418 -27.139 911 1HD2 LEU 117 1HD2 LEU 117 -5.578 27.991 -26.882 912 2HD2 LEU 117 2HD2 LEU 117 -4.334 28.347 -28.079 913 3HD2 LEU 117 3HD2 LEU 117 -3.979 28.528 -26.364 Start of MODEL 13 1 H SER 2 H SER 2 -8.485 -11.606 11.057 2 HA SER 2 HA SER 2 -9.847 -12.451 13.480 3 1HB SER 2 2HB SER 2 -11.782 -13.091 12.034 4 2HB SER 2 1HB SER 2 -11.540 -11.349 12.207 5 HG SER 2 HG SER 2 -11.009 -13.030 9.991 6 H SER 3 H SER 3 -10.459 -14.740 13.436 7 HA SER 3 HA SER 3 -8.490 -16.368 12.128 8 1HB SER 3 2HB SER 3 -10.931 -17.155 13.756 9 2HB SER 3 1HB SER 3 -9.592 -18.217 13.312 10 HG SER 3 HG SER 3 -9.022 -15.837 14.631 11 H ASN 4 H ASN 4 -8.718 -16.578 10.045 12 HA ASN 4 HA ASN 4 -9.483 -16.891 7.976 13 1HB ASN 4 2HB ASN 4 -10.760 -18.877 9.090 14 2HB ASN 4 1HB ASN 4 -12.163 -17.826 9.116 15 1HD2 ASN 4 1HD2 ASN 4 -11.739 -20.391 7.785 16 2HD2 ASN 4 2HD2 ASN 4 -12.032 -20.119 6.112 17 H VAL 5 H VAL 5 -11.584 -16.096 6.582 18 HA VAL 5 HA VAL 5 -11.741 -13.281 7.358 19 HB VAL 5 HB VAL 5 -12.414 -14.535 4.724 20 1HG1 VAL 5 1HG1 VAL 5 -11.933 -12.323 3.798 21 2HG1 VAL 5 2HG1 VAL 5 -11.653 -11.725 5.437 22 3HG1 VAL 5 3HG1 VAL 5 -13.254 -12.318 4.969 23 1HG2 VAL 5 1HG2 VAL 5 -9.710 -13.519 5.578 24 2HG2 VAL 5 2HG2 VAL 5 -10.190 -13.979 3.939 25 3HG2 VAL 5 3HG2 VAL 5 -10.175 -15.190 5.220 26 HA PRO 6 HA PRO 6 -16.183 -13.973 8.075 27 1HB PRO 6 2HB PRO 6 -16.554 -11.095 7.920 28 2HB PRO 6 1HB PRO 6 -16.723 -12.146 9.323 29 1HG PRO 6 2HG PRO 6 -14.723 -10.303 8.937 30 2HG PRO 6 1HG PRO 6 -14.608 -11.680 10.049 31 1HD PRO 6 2HD PRO 6 -13.368 -11.249 7.393 32 2HD PRO 6 1HD PRO 6 -12.835 -12.270 8.745 33 H ALA 7 H ALA 7 -18.064 -13.886 6.763 34 HA ALA 7 HA ALA 7 -17.500 -13.352 4.020 35 1HB ALA 7 1HB ALA 7 -19.574 -14.455 3.540 36 2HB ALA 7 2HB ALA 7 -19.987 -14.460 5.261 37 3HB ALA 7 3HB ALA 7 -18.616 -15.413 4.677 38 H ASP 8 H ASP 8 -17.298 -11.158 4.685 39 HA ASP 8 HA ASP 8 -19.421 -9.612 3.507 40 1HB ASP 8 2HB ASP 8 -20.197 -9.607 5.883 41 2HB ASP 8 1HB ASP 8 -18.628 -8.997 6.389 42 H MET 9 H MET 9 -16.398 -10.009 5.063 43 HA MET 9 HA MET 9 -15.301 -7.586 3.842 44 1HB MET 9 2HB MET 9 -14.099 -9.450 5.895 45 2HB MET 9 1HB MET 9 -13.398 -7.942 5.332 46 1HG MET 9 2HG MET 9 -15.980 -8.225 6.806 47 2HG MET 9 1HG MET 9 -14.446 -7.771 7.547 48 1HE MET 9 1HE MET 9 -13.258 -5.462 7.210 49 2HE MET 9 2HE MET 9 -13.784 -4.255 6.029 50 3HE MET 9 3HE MET 9 -13.149 -5.798 5.478 51 H ILE 10 H ILE 10 -13.554 -7.768 2.496 52 HA ILE 10 HA ILE 10 -12.874 -10.481 1.745 53 HB ILE 10 HB ILE 10 -12.000 -9.516 -0.434 54 1HG1 ILE 10 2HG1 ILE 10 -13.224 -7.322 -1.098 55 2HG1 ILE 10 1HG1 ILE 10 -13.255 -7.044 0.638 56 1HG2 ILE 10 1HG2 ILE 10 -14.111 -9.224 -1.508 57 2HG2 ILE 10 2HG2 ILE 10 -14.913 -9.173 0.069 58 3HG2 ILE 10 3HG2 ILE 10 -14.061 -10.647 -0.464 59 1HD1 ILE 10 1HD1 ILE 10 -10.781 -7.175 0.646 60 2HD1 ILE 10 2HD1 ILE 10 -11.428 -5.909 -0.439 61 3HD1 ILE 10 3HD1 ILE 10 -10.876 -7.433 -1.111 62 H ASN 11 H ASN 11 -10.828 -11.193 1.928 63 HA ASN 11 HA ASN 11 -9.121 -9.462 3.521 64 1HB ASN 11 2HB ASN 11 -9.628 -11.859 4.108 65 2HB ASN 11 1HB ASN 11 -8.742 -12.362 2.722 66 1HD2 ASN 11 1HD2 ASN 11 -6.613 -10.301 3.142 67 2HD2 ASN 11 2HD2 ASN 11 -5.696 -10.904 4.476 68 H LEU 12 H LEU 12 -7.727 -8.234 2.483 69 HA LEU 12 HA LEU 12 -6.910 -9.138 -0.170 70 1HB LEU 12 2HB LEU 12 -8.453 -7.371 -0.375 71 2HB LEU 12 1HB LEU 12 -7.660 -6.440 0.869 72 HG LEU 12 HG LEU 12 -5.761 -6.070 -0.614 73 1HD1 LEU 12 1HD1 LEU 12 -5.801 -8.044 -1.903 74 2HD1 LEU 12 2HD1 LEU 12 -5.855 -6.627 -2.938 75 3HD1 LEU 12 3HD1 LEU 12 -7.331 -7.588 -2.686 76 1HD2 LEU 12 1HD2 LEU 12 -8.435 -5.363 -1.761 77 2HD2 LEU 12 2HD2 LEU 12 -6.908 -4.587 -2.180 78 3HD2 LEU 12 3HD2 LEU 12 -7.539 -4.472 -0.532 79 H ARG 13 H ARG 13 -4.832 -9.257 -0.557 80 HA ARG 13 HA ARG 13 -3.015 -7.982 1.325 81 1HB ARG 13 2HB ARG 13 -2.849 -10.471 0.923 82 2HB ARG 13 1HB ARG 13 -2.382 -10.077 -0.721 83 1HG ARG 13 2HG ARG 13 -0.423 -8.986 -0.038 84 2HG ARG 13 1HG ARG 13 -0.920 -8.994 1.655 85 1HD ARG 13 2HD ARG 13 -0.945 -11.458 1.532 86 2HD ARG 13 1HD ARG 13 -0.179 -11.333 -0.055 87 HE ARG 13 HE ARG 13 1.696 -10.278 1.011 88 1HH1 ARG 13 1HH1 ARG 13 -0.601 -11.950 3.173 89 2HH1 ARG 13 2HH1 ARG 13 0.525 -12.208 4.407 90 1HH2 ARG 13 1HH2 ARG 13 3.244 -10.549 2.801 91 2HH2 ARG 13 2HH2 ARG 13 2.753 -11.384 4.197 92 H LEU 14 H LEU 14 -2.162 -6.314 0.708 93 HA LEU 14 HA LEU 14 -2.096 -5.499 -2.111 94 1HB LEU 14 2HB LEU 14 -1.707 -3.825 0.414 95 2HB LEU 14 1HB LEU 14 -1.641 -3.196 -1.213 96 HG LEU 14 HG LEU 14 -3.602 -2.565 -0.182 97 1HD1 LEU 14 1HD1 LEU 14 -3.776 -2.938 -2.514 98 2HD1 LEU 14 2HD1 LEU 14 -5.298 -3.351 -1.732 99 3HD1 LEU 14 3HD1 LEU 14 -4.203 -4.634 -2.263 100 1HD2 LEU 14 1HD2 LEU 14 -4.025 -4.248 1.504 101 2HD2 LEU 14 2HD2 LEU 14 -4.209 -5.453 0.244 102 3HD2 LEU 14 3HD2 LEU 14 -5.395 -4.131 0.371 103 H ILE 15 H ILE 15 -0.203 -5.740 -3.156 104 HA ILE 15 HA ILE 15 2.204 -5.839 -1.507 105 HB ILE 15 HB ILE 15 1.950 -6.673 -4.406 106 1HG1 ILE 15 2HG1 ILE 15 1.738 -8.395 -1.890 107 2HG1 ILE 15 1HG1 ILE 15 0.495 -8.080 -3.068 108 1HG2 ILE 15 1HG2 ILE 15 4.077 -7.876 -3.859 109 2HG2 ILE 15 2HG2 ILE 15 4.035 -7.068 -2.272 110 3HG2 ILE 15 3HG2 ILE 15 4.187 -6.117 -3.730 111 1HD1 ILE 15 1HD1 ILE 15 3.045 -9.547 -3.654 112 2HD1 ILE 15 2HD1 ILE 15 1.718 -9.255 -4.780 113 3HD1 ILE 15 3HD1 ILE 15 1.468 -10.282 -3.366 114 H LEU 16 H LEU 16 3.534 -4.226 -1.588 115 HA LEU 16 HA LEU 16 2.925 -1.906 -3.203 116 1HB LEU 16 2HB LEU 16 5.201 -2.379 -1.281 117 2HB LEU 16 1HB LEU 16 4.711 -0.836 -1.945 118 HG LEU 16 HG LEU 16 3.079 -2.534 -0.064 119 1HD1 LEU 16 1HD1 LEU 16 4.992 -1.507 1.029 120 2HD1 LEU 16 2HD1 LEU 16 3.486 -0.771 1.558 121 3HD1 LEU 16 3HD1 LEU 16 4.518 0.069 0.397 122 1HD2 LEU 16 1HD2 LEU 16 2.520 0.195 -1.231 123 2HD2 LEU 16 2HD2 LEU 16 1.575 -0.591 0.034 124 3HD2 LEU 16 3HD2 LEU 16 1.636 -1.292 -1.581 125 H VAL 17 H VAL 17 4.810 -0.710 -4.269 126 HA VAL 17 HA VAL 17 5.765 -2.283 -6.406 127 HB VAL 17 HB VAL 17 6.671 0.506 -5.598 128 1HG1 VAL 17 1HG1 VAL 17 7.343 0.767 -7.945 129 2HG1 VAL 17 2HG1 VAL 17 6.894 -0.910 -8.259 130 3HG1 VAL 17 3HG1 VAL 17 8.233 -0.546 -7.173 131 1HG2 VAL 17 1HG2 VAL 17 5.054 1.298 -7.243 132 2HG2 VAL 17 2HG2 VAL 17 4.256 0.354 -5.979 133 3HG2 VAL 17 3HG2 VAL 17 4.568 -0.364 -7.556 134 H SER 18 H SER 18 7.272 -1.327 -3.400 135 HA SER 18 HA SER 18 9.893 -2.192 -4.219 136 1HB SER 18 2HB SER 18 8.830 -1.560 -1.461 137 2HB SER 18 1HB SER 18 10.528 -1.811 -1.874 138 HG SER 18 HG SER 18 9.301 -0.014 -3.491 139 H GLY 19 H GLY 19 7.266 -4.030 -3.815 140 1HA GLY 19 2HA GLY 19 7.138 -6.336 -3.685 141 2HA GLY 19 1HA GLY 19 8.853 -6.375 -3.296 142 H LYS 20 H LYS 20 7.107 -4.240 -1.435 143 HA LYS 20 HA LYS 20 7.382 -5.916 0.923 144 1HB LYS 20 2HB LYS 20 6.452 -3.050 0.628 145 2HB LYS 20 1HB LYS 20 6.780 -3.858 2.151 146 1HG LYS 20 2HG LYS 20 8.814 -3.283 -0.004 147 2HG LYS 20 1HG LYS 20 8.603 -2.349 1.471 148 1HD LYS 20 2HD LYS 20 9.283 -5.300 1.480 149 2HD LYS 20 1HD LYS 20 10.504 -4.048 1.406 150 1HE LYS 20 2HE LYS 20 10.223 -4.840 3.704 151 2HE LYS 20 1HE LYS 20 9.746 -3.159 3.572 152 1HZ LYS 20 1HZ LYS 20 8.285 -4.474 4.955 153 2HZ LYS 20 2HZ LYS 20 7.816 -5.453 3.681 154 3HZ LYS 20 3HZ LYS 20 7.450 -3.801 3.694 155 H THR 21 H THR 21 5.616 -6.722 2.070 156 HA THR 21 HA THR 21 3.100 -6.341 0.645 157 HB THR 21 HB THR 21 2.492 -8.609 1.268 158 HG1 THR 21 1HG THR 21 5.231 -9.076 1.928 159 1HG2 THR 21 1HG2 THR 21 5.073 -8.401 -0.275 160 2HG2 THR 21 2HG2 THR 21 3.429 -8.255 -0.909 161 3HG2 THR 21 3HG2 THR 21 3.998 -9.800 -0.289 162 H LYS 22 H LYS 22 1.353 -5.857 1.744 163 HA LYS 22 HA LYS 22 1.262 -6.460 4.608 164 1HB LYS 22 2HB LYS 22 0.252 -3.860 3.408 165 2HB LYS 22 1HB LYS 22 -0.177 -4.439 5.000 166 1HG LYS 22 2HG LYS 22 2.312 -4.315 5.547 167 2HG LYS 22 1HG LYS 22 2.483 -3.411 4.035 168 1HD LYS 22 2HD LYS 22 0.760 -1.819 4.803 169 2HD LYS 22 1HD LYS 22 0.642 -2.692 6.321 170 1HE LYS 22 2HE LYS 22 1.960 -0.707 6.629 171 2HE LYS 22 1HE LYS 22 3.008 -2.108 6.785 172 1HZ LYS 22 1HZ LYS 22 3.829 -1.693 4.537 173 2HZ LYS 22 2HZ LYS 22 3.981 -0.276 5.455 174 3HZ LYS 22 3HZ LYS 22 2.717 -0.432 4.359 175 H GLU 23 H GLU 23 -0.803 -7.023 5.377 176 HA GLU 23 HA GLU 23 -2.801 -7.382 3.271 177 1HB GLU 23 2HB GLU 23 -1.332 -9.425 3.687 178 2HB GLU 23 1HB GLU 23 -2.051 -9.487 5.283 179 1HG GLU 23 2HG GLU 23 -4.284 -9.697 4.178 180 2HG GLU 23 1HG GLU 23 -3.451 -9.719 2.668 181 H PHE 24 H PHE 24 -4.821 -6.877 3.982 182 HA PHE 24 HA PHE 24 -5.398 -6.765 6.838 183 1HB PHE 24 2HB PHE 24 -5.725 -4.387 4.998 184 2HB PHE 24 1HB PHE 24 -6.380 -4.484 6.613 185 HD1 PHE 24 1HD PHE 24 -3.493 -3.781 4.584 186 HD2 PHE 24 2HD PHE 24 -4.811 -4.473 8.561 187 HE1 PHE 24 1HE PHE 24 -1.425 -2.771 5.439 188 HE2 PHE 24 2HE PHE 24 -2.738 -3.468 9.427 189 HZ PHE 24 HZ PHE 24 -1.043 -2.615 7.867 190 H LEU 25 H LEU 25 -7.701 -6.546 7.234 191 HA LEU 25 HA LEU 25 -9.303 -7.697 5.130 192 1HB LEU 25 2HB LEU 25 -10.052 -6.702 7.885 193 2HB LEU 25 1HB LEU 25 -11.150 -7.497 6.785 194 HG LEU 25 HG LEU 25 -8.730 -8.759 8.076 195 1HD1 LEU 25 1HD1 LEU 25 -11.685 -9.103 8.578 196 2HD1 LEU 25 2HD1 LEU 25 -10.536 -8.309 9.657 197 3HD1 LEU 25 3HD1 LEU 25 -10.398 -10.040 9.337 198 1HD2 LEU 25 1HD2 LEU 25 -10.890 -9.935 6.332 199 2HD2 LEU 25 2HD2 LEU 25 -9.631 -10.851 7.159 200 3HD2 LEU 25 3HD2 LEU 25 -9.200 -9.720 5.874 201 H PHE 26 H PHE 26 -10.392 -6.523 3.707 202 HA PHE 26 HA PHE 26 -11.142 -3.795 4.405 203 1HB PHE 26 2HB PHE 26 -9.940 -4.733 1.779 204 2HB PHE 26 1HB PHE 26 -10.799 -3.211 1.955 205 HD1 PHE 26 1HD PHE 26 -9.831 -1.428 3.424 206 HD2 PHE 26 2HD PHE 26 -7.618 -4.948 2.428 207 HE1 PHE 26 1HE PHE 26 -7.739 -0.304 4.041 208 HE2 PHE 26 2HE PHE 26 -5.563 -3.828 3.046 209 HZ PHE 26 HZ PHE 26 -5.583 -1.519 3.842 210 H SER 27 H SER 27 -12.839 -3.085 2.631 211 HA SER 27 HA SER 27 -14.698 -5.311 2.615 212 1HB SER 27 2HB SER 27 -16.464 -3.616 2.391 213 2HB SER 27 1HB SER 27 -15.424 -3.236 3.752 214 HG SER 27 HG SER 27 -14.259 -1.859 2.130 215 HA PRO 28 HA PRO 28 -14.331 -5.632 -1.756 216 1HB PRO 28 2HB PRO 28 -16.936 -6.084 -2.507 217 2HB PRO 28 1HB PRO 28 -15.891 -7.260 -1.668 218 1HG PRO 28 2HG PRO 28 -17.858 -5.367 -0.430 219 2HG PRO 28 1HG PRO 28 -17.760 -7.128 -0.231 220 1HD PRO 28 2HD PRO 28 -16.650 -5.584 1.580 221 2HD PRO 28 1HD PRO 28 -15.741 -6.986 0.959 222 H ASN 29 H ASN 29 -16.048 -3.148 -0.256 223 HA ASN 29 HA ASN 29 -16.677 -1.716 -2.711 224 1HB ASN 29 2HB ASN 29 -17.411 -1.128 0.155 225 2HB ASN 29 1HB ASN 29 -17.872 -0.143 -1.231 226 1HD2 ASN 29 1HD2 ASN 29 -19.391 -0.923 -2.665 227 2HD2 ASN 29 2HD2 ASN 29 -20.411 -2.262 -2.295 228 H ASP 30 H ASP 30 -14.068 -1.941 -0.624 229 HA ASP 30 HA ASP 30 -13.416 0.867 -0.593 230 1HB ASP 30 2HB ASP 30 -11.710 -1.551 0.007 231 2HB ASP 30 1HB ASP 30 -11.079 0.096 0.079 232 H SER 31 H SER 31 -11.677 1.915 -1.731 233 HA SER 31 HA SER 31 -11.461 0.877 -4.425 234 1HB SER 31 2HB SER 31 -10.686 3.548 -3.244 235 2HB SER 31 1HB SER 31 -10.580 3.128 -4.949 236 HG SER 31 HG SER 31 -12.966 2.993 -3.429 237 H ALA 32 H ALA 32 -9.783 -0.221 -5.030 238 HA ALA 32 HA ALA 32 -7.621 -1.169 -3.628 239 1HB ALA 32 1HB ALA 32 -7.755 -0.513 -6.547 240 2HB ALA 32 2HB ALA 32 -8.412 -1.964 -5.800 241 3HB ALA 32 3HB ALA 32 -6.661 -1.678 -5.804 242 H SER 33 H SER 33 -7.595 1.880 -5.572 243 HA SER 33 HA SER 33 -4.831 2.249 -5.261 244 1HB SER 33 2HB SER 33 -5.426 4.607 -5.984 245 2HB SER 33 1HB SER 33 -5.891 3.321 -7.107 246 HG SER 33 HG SER 33 -7.408 5.125 -5.759 247 H ASP 34 H ASP 34 -7.654 3.479 -3.541 248 HA ASP 34 HA ASP 34 -6.334 5.249 -1.740 249 1HB ASP 34 2HB ASP 34 -8.861 5.178 -2.086 250 2HB ASP 34 1HB ASP 34 -8.855 3.617 -1.308 251 H ILE 35 H ILE 35 -7.226 1.881 -1.691 252 HA ILE 35 HA ILE 35 -6.308 1.226 0.862 253 HB ILE 35 HB ILE 35 -6.412 -0.541 -1.587 254 1HG1 ILE 35 2HG1 ILE 35 -8.419 -0.152 0.630 255 2HG1 ILE 35 1HG1 ILE 35 -8.604 0.405 -1.034 256 1HG2 ILE 35 1HG2 ILE 35 -6.327 -1.225 1.329 257 2HG2 ILE 35 2HG2 ILE 35 -4.994 -1.361 0.196 258 3HG2 ILE 35 3HG2 ILE 35 -6.437 -2.370 -0.013 259 1HD1 ILE 35 1HD1 ILE 35 -9.848 -1.634 -0.667 260 2HD1 ILE 35 2HD1 ILE 35 -8.370 -2.429 -0.108 261 3HD1 ILE 35 3HD1 ILE 35 -8.509 -1.927 -1.788 262 H ALA 36 H ALA 36 -4.682 0.932 -2.316 263 HA ALA 36 HA ALA 36 -2.252 -0.054 -1.633 264 1HB ALA 36 1HB ALA 36 -2.741 2.156 -3.613 265 2HB ALA 36 2HB ALA 36 -3.027 0.452 -3.917 266 3HB ALA 36 3HB ALA 36 -1.382 1.031 -3.608 267 H LYS 37 H LYS 37 -3.232 3.356 -1.481 268 HA LYS 37 HA LYS 37 -0.650 4.165 -0.576 269 1HB LYS 37 2HB LYS 37 -2.442 5.576 -1.814 270 2HB LYS 37 1HB LYS 37 -3.208 5.735 -0.246 271 1HG LYS 37 2HG LYS 37 -0.407 6.659 -0.901 272 2HG LYS 37 1HG LYS 37 -1.860 7.659 -0.904 273 1HD LYS 37 2HD LYS 37 -2.125 7.401 1.459 274 2HD LYS 37 1HD LYS 37 -0.873 6.163 1.521 275 1HE LYS 37 2HE LYS 37 -0.072 8.325 2.360 276 2HE LYS 37 1HE LYS 37 0.816 7.788 0.941 277 1HZ LYS 37 1HZ LYS 37 0.297 10.124 0.870 278 2HZ LYS 37 2HZ LYS 37 -1.354 9.845 0.917 279 3HZ LYS 37 3HZ LYS 37 -0.440 9.373 -0.416 280 H HIS 38 H HIS 38 -3.739 3.440 0.901 281 HA HIS 38 HA HIS 38 -3.344 4.090 3.594 282 1HB HIS 38 2HB HIS 38 -5.500 3.454 2.563 283 2HB HIS 38 1HB HIS 38 -4.909 1.826 2.335 284 HD1 HIS 38 1HD HIS 38 -7.049 3.698 4.405 285 HD2 HIS 38 2HD HIS 38 -4.378 0.597 5.089 286 HE1 HIS 38 1HE HIS 38 -7.798 2.620 6.532 287 HE2 HIS 38 2HE HIS 38 -6.434 0.536 6.629 288 H VAL 39 H VAL 39 -2.671 1.088 1.865 289 HA VAL 39 HA VAL 39 -1.507 -0.210 4.126 290 HB VAL 39 HB VAL 39 -0.997 -2.052 2.609 291 1HG1 VAL 39 1HG1 VAL 39 -3.796 -0.936 2.331 292 2HG1 VAL 39 2HG1 VAL 39 -3.209 -1.914 3.663 293 3HG1 VAL 39 3HG1 VAL 39 -3.340 -2.607 2.052 294 1HG2 VAL 39 1HG2 VAL 39 -2.196 -0.249 0.560 295 2HG2 VAL 39 2HG2 VAL 39 -1.761 -1.930 0.297 296 3HG2 VAL 39 3HG2 VAL 39 -0.499 -0.725 0.616 297 H TYR 40 H TYR 40 -0.323 1.634 1.429 298 HA TYR 40 HA TYR 40 2.357 1.024 1.348 299 1HB TYR 40 2HB TYR 40 1.218 2.802 -0.029 300 2HB TYR 40 1HB TYR 40 1.236 3.849 1.376 301 HD1 TYR 40 1HD TYR 40 3.307 2.205 -1.182 302 HD2 TYR 40 2HD TYR 40 3.252 5.068 1.962 303 HE1 TYR 40 1HE TYR 40 5.486 3.057 -1.930 304 HE2 TYR 40 2HE TYR 40 5.451 5.924 1.215 305 HH TYR 40 HH TYR 40 6.749 5.076 -1.803 306 H ASP 41 H ASP 41 0.752 3.264 3.584 307 HA ASP 41 HA ASP 41 1.716 2.235 5.890 308 1HB ASP 41 2HB ASP 41 3.606 4.384 4.993 309 2HB ASP 41 1HB ASP 41 3.179 4.311 6.699 310 H ASN 42 H ASN 42 0.900 5.405 4.561 311 HA ASN 42 HA ASN 42 -0.786 5.732 6.955 312 1HB ASN 42 2HB ASN 42 1.209 7.329 6.659 313 2HB ASN 42 1HB ASN 42 0.343 7.980 5.276 314 1HD2 ASN 42 1HD2 ASN 42 0.430 7.680 8.701 315 2HD2 ASN 42 2HD2 ASN 42 -0.711 8.918 9.062 316 H TRP 43 H TRP 43 -2.496 7.702 6.188 317 HA TRP 43 HA TRP 43 -4.090 6.238 4.240 318 1HB TRP 43 2HB TRP 43 -4.848 8.610 5.948 319 2HB TRP 43 1HB TRP 43 -5.939 7.591 5.020 320 HD1 TRP 43 HD TRP 43 -6.381 5.092 5.993 321 HE1 TRP 43 1HE TRP 43 -6.197 4.178 8.403 322 HE3 TRP 43 3HE TRP 43 -3.574 8.810 8.060 323 HZ2 TRP 43 2HZ TRP 43 -5.025 4.941 10.833 324 HZ3 TRP 43 3HZ TRP 43 -2.964 8.646 10.428 325 HH2 TRP 43 HH TRP 43 -3.672 6.754 11.779 326 HA PRO 44 HA PRO 44 -3.395 9.420 1.162 327 1HB PRO 44 2HB PRO 44 -5.409 8.726 -0.545 328 2HB PRO 44 1HB PRO 44 -3.860 7.876 -0.497 329 1HG PRO 44 2HG PRO 44 -6.477 7.114 0.701 330 2HG PRO 44 1HG PRO 44 -5.265 6.085 -0.064 331 1HD PRO 44 2HD PRO 44 -5.558 6.263 2.627 332 2HD PRO 44 1HD PRO 44 -4.012 5.920 1.847 333 H MET 45 H MET 45 -4.009 11.221 2.246 334 HA MET 45 HA MET 45 -6.729 12.111 1.850 335 1HB MET 45 2HB MET 45 -6.805 10.968 4.032 336 2HB MET 45 1HB MET 45 -5.502 11.988 4.616 337 1HG MET 45 2HG MET 45 -6.941 13.956 4.358 338 2HG MET 45 1HG MET 45 -8.241 12.908 3.788 339 1HE MET 45 1HE MET 45 -9.444 11.076 5.326 340 2HE MET 45 2HE MET 45 -9.026 10.795 7.011 341 3HE MET 45 3HE MET 45 -7.890 10.351 5.740 342 H ASP 46 H ASP 46 -5.815 13.599 0.450 343 HA ASP 46 HA ASP 46 -4.974 16.039 1.689 344 1HB ASP 46 2HB ASP 46 -2.762 14.851 1.341 345 2HB ASP 46 1HB ASP 46 -3.126 14.760 -0.376 346 H TRP 47 H TRP 47 -5.223 17.775 0.162 347 HA TRP 47 HA TRP 47 -7.387 17.354 -1.580 348 1HB TRP 47 2HB TRP 47 -6.995 19.503 -0.457 349 2HB TRP 47 1HB TRP 47 -5.534 19.739 -1.403 350 HD1 TRP 47 HD TRP 47 -9.368 19.625 -1.836 351 HE1 TRP 47 1HE TRP 47 -9.987 20.932 -3.947 352 HE3 TRP 47 3HE TRP 47 -4.667 20.629 -3.580 353 HZ2 TRP 47 2HZ TRP 47 -8.675 22.222 -6.074 354 HZ3 TRP 47 3HZ TRP 47 -4.442 21.905 -5.663 355 HH2 TRP 47 HH TRP 47 -6.408 22.686 -6.879 356 H GLU 48 H GLU 48 -3.919 17.460 -2.162 357 HA GLU 48 HA GLU 48 -4.517 16.731 -4.937 358 1HB GLU 48 2HB GLU 48 -2.640 18.075 -5.772 359 2HB GLU 48 1HB GLU 48 -3.888 19.067 -5.041 360 1HG GLU 48 2HG GLU 48 -2.534 19.367 -3.061 361 2HG GLU 48 1HG GLU 48 -1.322 18.256 -3.695 362 H GLU 49 H GLU 49 -2.227 16.671 -2.300 363 HA GLU 49 HA GLU 49 -0.492 15.471 -1.741 364 1HB GLU 49 2HB GLU 49 -2.120 13.551 -1.991 365 2HB GLU 49 1HB GLU 49 -1.520 13.320 -3.626 366 1HG GLU 49 2HG GLU 49 0.654 12.717 -2.808 367 2HG GLU 49 1HG GLU 49 0.198 13.144 -1.162 368 H GLU 50 H GLU 50 -0.746 14.558 -5.170 369 HA GLU 50 HA GLU 50 1.773 15.971 -5.636 370 1HB GLU 50 2HB GLU 50 1.094 13.183 -6.562 371 2HB GLU 50 1HB GLU 50 2.349 14.148 -7.316 372 1HG GLU 50 2HG GLU 50 2.302 13.409 -4.397 373 2HG GLU 50 1HG GLU 50 3.176 12.513 -5.636 374 H GLN 51 H GLN 51 1.280 17.593 -6.816 375 HA GLN 51 HA GLN 51 0.854 18.855 -8.584 376 1HB GLN 51 2HB GLN 51 1.781 17.068 -9.965 377 2HB GLN 51 1HB GLN 51 0.218 16.274 -10.029 378 1HG GLN 51 2HG GLN 51 -0.686 18.066 -11.343 379 2HG GLN 51 1HG GLN 51 0.805 18.994 -11.178 380 1HE2 GLN 51 1HE2 GLN 51 2.595 18.388 -12.351 381 2HE2 GLN 51 2HE2 GLN 51 2.515 17.292 -13.678 382 H VAL 52 H VAL 52 -1.767 16.483 -8.814 383 HA VAL 52 HA VAL 52 -3.706 18.661 -8.294 384 HB VAL 52 HB VAL 52 -3.967 16.687 -10.604 385 1HG1 VAL 52 1HG1 VAL 52 -6.133 17.076 -9.525 386 2HG1 VAL 52 2HG1 VAL 52 -6.084 17.819 -11.123 387 3HG1 VAL 52 3HG1 VAL 52 -5.893 18.818 -9.681 388 1HG2 VAL 52 1HG2 VAL 52 -2.492 18.575 -11.115 389 2HG2 VAL 52 2HG2 VAL 52 -3.775 19.695 -10.657 390 3HG2 VAL 52 3HG2 VAL 52 -3.976 18.644 -12.055 391 H SER 53 H SER 53 -3.403 15.292 -9.025 392 HA SER 53 HA SER 53 -4.135 14.259 -6.533 393 1HB SER 53 2HB SER 53 -6.193 13.967 -8.778 394 2HB SER 53 1HB SER 53 -6.198 13.021 -7.292 395 HG SER 53 HG SER 53 -6.132 15.759 -6.950 396 H SER 54 H SER 54 -4.142 13.944 -10.001 397 HA SER 54 HA SER 54 -3.132 12.675 -11.470 398 1HB SER 54 2HB SER 54 -1.066 12.287 -9.299 399 2HB SER 54 1HB SER 54 -0.818 12.072 -11.033 400 HG SER 54 HG SER 54 -0.639 14.293 -9.591 401 HA PRO 55 HA PRO 55 -4.904 8.789 -9.560 402 1HB PRO 55 2HB PRO 55 -6.376 8.182 -11.742 403 2HB PRO 55 1HB PRO 55 -7.015 9.090 -10.365 404 1HG PRO 55 2HG PRO 55 -6.028 10.094 -13.014 405 2HG PRO 55 1HG PRO 55 -7.389 10.676 -12.042 406 1HD PRO 55 2HD PRO 55 -5.064 11.996 -12.094 407 2HD PRO 55 1HD PRO 55 -6.022 11.875 -10.611 408 H ASN 56 H ASN 56 -3.375 9.570 -12.574 409 HA ASN 56 HA ASN 56 -2.990 6.989 -13.604 410 1HB ASN 56 2HB ASN 56 -1.254 7.842 -15.024 411 2HB ASN 56 1HB ASN 56 -2.520 9.051 -14.920 412 1HD2 ASN 56 1HD2 ASN 56 -1.633 10.099 -12.306 413 2HD2 ASN 56 2HD2 ASN 56 -0.165 10.942 -12.644 414 H ILE 57 H ILE 57 -1.527 8.345 -10.808 415 HA ILE 57 HA ILE 57 0.839 6.699 -10.968 416 HB ILE 57 HB ILE 57 1.419 7.547 -8.802 417 1HG1 ILE 57 2HG1 ILE 57 -1.180 9.074 -8.779 418 2HG1 ILE 57 1HG1 ILE 57 -0.981 7.507 -8.031 419 1HG2 ILE 57 1HG2 ILE 57 1.527 9.955 -9.317 420 2HG2 ILE 57 2HG2 ILE 57 0.326 9.729 -10.589 421 3HG2 ILE 57 3HG2 ILE 57 1.910 8.972 -10.732 422 1HD1 ILE 57 1HD1 ILE 57 0.660 9.919 -7.384 423 2HD1 ILE 57 2HD1 ILE 57 0.742 8.304 -6.645 424 3HD1 ILE 57 3HD1 ILE 57 -0.700 9.311 -6.404 425 H LEU 58 H LEU 58 -2.355 6.526 -9.602 426 HA LEU 58 HA LEU 58 -1.600 4.143 -8.067 427 1HB LEU 58 2HB LEU 58 -4.016 5.937 -7.770 428 2HB LEU 58 1HB LEU 58 -3.715 4.456 -6.887 429 HG LEU 58 HG LEU 58 -2.095 7.007 -6.643 430 1HD1 LEU 58 1HD1 LEU 58 -4.036 5.733 -4.751 431 2HD1 LEU 58 2HD1 LEU 58 -4.305 7.197 -5.693 432 3HD1 LEU 58 3HD1 LEU 58 -3.057 7.169 -4.447 433 1HD2 LEU 58 1HD2 LEU 58 -0.726 4.999 -6.294 434 2HD2 LEU 58 2HD2 LEU 58 -1.909 4.401 -5.135 435 3HD2 LEU 58 3HD2 LEU 58 -0.999 5.872 -4.787 436 H ARG 59 H ARG 59 -1.870 2.469 -9.264 437 HA ARG 59 HA ARG 59 -4.504 1.967 -10.228 438 1HB ARG 59 2HB ARG 59 -3.566 1.042 -12.420 439 2HB ARG 59 1HB ARG 59 -3.741 2.793 -12.302 440 1HG ARG 59 2HG ARG 59 -1.317 2.919 -11.852 441 2HG ARG 59 1HG ARG 59 -1.216 1.168 -12.052 442 1HD ARG 59 2HD ARG 59 -2.084 1.374 -14.326 443 2HD ARG 59 1HD ARG 59 -2.188 3.120 -14.134 444 HE ARG 59 HE ARG 59 0.405 2.669 -13.648 445 1HH1 ARG 59 1HH1 ARG 59 -1.683 1.488 -16.243 446 2HH1 ARG 59 2HH1 ARG 59 -0.463 1.402 -17.415 447 1HH2 ARG 59 1HH2 ARG 59 2.095 2.598 -15.257 448 2HH2 ARG 59 2HH2 ARG 59 1.761 2.074 -16.839 449 H LEU 60 H LEU 60 -4.993 -0.178 -10.573 450 HA LEU 60 HA LEU 60 -3.344 -1.790 -8.795 451 1HB LEU 60 2HB LEU 60 -5.314 -3.213 -8.400 452 2HB LEU 60 1HB LEU 60 -5.503 -1.558 -7.875 453 HG LEU 60 HG LEU 60 -6.646 -2.417 -10.530 454 1HD1 LEU 60 1HD1 LEU 60 -8.730 -2.914 -9.347 455 2HD1 LEU 60 2HD1 LEU 60 -7.904 -2.715 -7.798 456 3HD1 LEU 60 3HD1 LEU 60 -7.446 -4.021 -8.895 457 1HD2 LEU 60 1HD2 LEU 60 -6.569 -0.033 -9.918 458 2HD2 LEU 60 2HD2 LEU 60 -7.493 -0.386 -8.464 459 3HD2 LEU 60 3HD2 LEU 60 -8.209 -0.633 -10.048 460 H ILE 61 H ILE 61 -2.459 -3.590 -9.306 461 HA ILE 61 HA ILE 61 -2.868 -4.683 -11.977 462 HB ILE 61 HB ILE 61 -0.737 -5.103 -9.894 463 1HG1 ILE 61 2HG1 ILE 61 -0.593 -3.700 -12.547 464 2HG1 ILE 61 1HG1 ILE 61 -0.687 -2.912 -10.978 465 1HG2 ILE 61 1HG2 ILE 61 0.475 -6.375 -11.665 466 2HG2 ILE 61 2HG2 ILE 61 -0.920 -6.189 -12.727 467 3HG2 ILE 61 3HG2 ILE 61 -1.061 -7.138 -11.245 468 1HD1 ILE 61 1HD1 ILE 61 1.549 -2.898 -11.847 469 2HD1 ILE 61 2HD1 ILE 61 1.560 -4.664 -11.967 470 3HD1 ILE 61 3HD1 ILE 61 1.475 -3.875 -10.382 471 H TYR 62 H TYR 62 -4.143 -6.408 -12.028 472 HA TYR 62 HA TYR 62 -4.628 -7.784 -9.504 473 1HB TYR 62 2HB TYR 62 -6.605 -6.781 -10.574 474 2HB TYR 62 1HB TYR 62 -6.297 -7.713 -12.021 475 HD1 TYR 62 1HD TYR 62 -6.607 -8.493 -8.374 476 HD2 TYR 62 2HD TYR 62 -7.865 -9.361 -12.336 477 HE1 TYR 62 1HE TYR 62 -8.123 -10.205 -7.499 478 HE2 TYR 62 2HE TYR 62 -9.406 -11.080 -11.481 479 HH TYR 62 HH TYR 62 -10.294 -11.263 -8.329 480 H GLN 63 H GLN 63 -2.619 -8.714 -9.769 481 HA GLN 63 HA GLN 63 -1.269 -10.400 -10.002 482 1HB GLN 63 2HB GLN 63 -3.650 -11.825 -11.181 483 2HB GLN 63 1HB GLN 63 -2.091 -12.569 -10.812 484 1HG GLN 63 2HG GLN 63 -2.319 -12.153 -8.505 485 2HG GLN 63 1HG GLN 63 -3.733 -11.138 -8.741 486 1HE2 GLN 63 1HE2 GLN 63 -5.691 -12.143 -9.232 487 2HE2 GLN 63 2HE2 GLN 63 -5.992 -13.802 -8.921 488 H GLY 64 H GLY 64 -3.073 -9.918 -12.973 489 1HA GLY 64 2HA GLY 64 -0.597 -10.436 -14.452 490 2HA GLY 64 1HA GLY 64 -2.212 -10.444 -15.148 491 H ARG 65 H ARG 65 -3.332 -8.125 -14.774 492 HA ARG 65 HA ARG 65 -1.313 -6.174 -15.515 493 1HB ARG 65 2HB ARG 65 -2.597 -5.409 -17.473 494 2HB ARG 65 1HB ARG 65 -2.051 -7.061 -17.623 495 1HG ARG 65 2HG ARG 65 -4.226 -6.991 -18.560 496 2HG ARG 65 1HG ARG 65 -4.411 -7.772 -16.994 497 1HD ARG 65 2HD ARG 65 -5.225 -5.666 -16.045 498 2HD ARG 65 1HD ARG 65 -4.991 -4.867 -17.591 499 HE ARG 65 HE ARG 65 -6.711 -7.164 -17.673 500 1HH1 ARG 65 1HH1 ARG 65 -6.619 -3.629 -17.233 501 2HH1 ARG 65 2HH1 ARG 65 -8.258 -3.394 -17.623 502 1HH2 ARG 65 1HH2 ARG 65 -8.972 -6.825 -18.171 503 2HH2 ARG 65 2HH2 ARG 65 -9.647 -5.273 -18.181 504 H PHE 66 H PHE 66 -2.466 -3.952 -15.947 505 HA PHE 66 HA PHE 66 -3.629 -3.196 -13.423 506 1HB PHE 66 2HB PHE 66 -3.231 -1.598 -15.946 507 2HB PHE 66 1HB PHE 66 -3.577 -0.943 -14.354 508 HD1 PHE 66 1HD PHE 66 -1.814 -0.881 -12.665 509 HD2 PHE 66 2HD PHE 66 -1.068 -2.292 -16.580 510 HE1 PHE 66 1HE PHE 66 0.604 -0.632 -12.294 511 HE2 PHE 66 2HE PHE 66 1.358 -2.052 -16.223 512 HZ PHE 66 HZ PHE 66 2.190 -1.213 -14.069 513 H LEU 67 H LEU 67 -5.762 -3.375 -13.098 514 HA LEU 67 HA LEU 67 -7.549 -3.778 -15.362 515 1HB LEU 67 2HB LEU 67 -8.210 -3.471 -12.442 516 2HB LEU 67 1HB LEU 67 -9.353 -3.897 -13.693 517 HG LEU 67 HG LEU 67 -7.004 -5.570 -12.810 518 1HD1 LEU 67 1HD1 LEU 67 -8.746 -7.042 -11.920 519 2HD1 LEU 67 2HD1 LEU 67 -9.975 -5.881 -12.411 520 3HD1 LEU 67 3HD1 LEU 67 -8.811 -5.453 -11.173 521 1HD2 LEU 67 1HD2 LEU 67 -9.202 -6.158 -14.782 522 2HD2 LEU 67 2HD2 LEU 67 -7.986 -7.301 -14.216 523 3HD2 LEU 67 3HD2 LEU 67 -7.501 -5.905 -15.177 524 H HIS 68 H HIS 68 -7.195 -1.338 -12.854 525 HA HIS 68 HA HIS 68 -7.953 0.806 -14.569 526 1HB HIS 68 2HB HIS 68 -9.886 -0.174 -12.457 527 2HB HIS 68 1HB HIS 68 -9.825 1.527 -12.885 528 HD1 HIS 68 1HD HIS 68 -11.189 -1.780 -14.075 529 HD2 HIS 68 2HD HIS 68 -10.680 2.089 -15.504 530 HE1 HIS 68 1HE HIS 68 -12.616 -1.620 -16.074 531 HE2 HIS 68 2HE HIS 68 -11.958 0.563 -17.110 532 H GLY 69 H GLY 69 -8.392 2.784 -12.828 533 1HA GLY 69 2HA GLY 69 -5.997 2.863 -11.262 534 2HA GLY 69 1HA GLY 69 -7.183 4.147 -11.471 535 H ASN 70 H ASN 70 -9.490 2.856 -10.695 536 HA ASN 70 HA ASN 70 -9.052 1.711 -8.151 537 1HB ASN 70 2HB ASN 70 -10.483 3.326 -6.906 538 2HB ASN 70 1HB ASN 70 -8.947 3.998 -7.416 539 1HD2 ASN 70 1HD2 ASN 70 -12.396 4.204 -7.627 540 2HD2 ASN 70 2HD2 ASN 70 -12.447 5.640 -8.565 541 H VAL 71 H VAL 71 -9.933 0.025 -9.288 542 HA VAL 71 HA VAL 71 -12.845 0.153 -9.408 543 HB VAL 71 HB VAL 71 -11.702 -0.683 -11.474 544 1HG1 VAL 71 1HG1 VAL 71 -10.681 -2.902 -9.778 545 2HG1 VAL 71 2HG1 VAL 71 -9.743 -1.640 -10.610 546 3HG1 VAL 71 3HG1 VAL 71 -10.613 -2.846 -11.542 547 1HG2 VAL 71 1HG2 VAL 71 -12.902 -2.735 -11.811 548 2HG2 VAL 71 2HG2 VAL 71 -13.914 -1.493 -11.056 549 3HG2 VAL 71 3HG2 VAL 71 -13.255 -2.830 -10.086 550 H THR 72 H THR 72 -14.036 -1.294 -8.142 551 HA THR 72 HA THR 72 -12.718 -1.622 -5.616 552 HB THR 72 HB THR 72 -14.964 -2.321 -4.766 553 HG1 THR 72 1HG THR 72 -15.796 -1.734 -7.430 554 1HG2 THR 72 1HG2 THR 72 -14.899 0.248 -6.368 555 2HG2 THR 72 2HG2 THR 72 -14.299 0.031 -4.725 556 3HG2 THR 72 3HG2 THR 72 -16.025 -0.115 -5.059 557 H LEU 73 H LEU 73 -12.851 -3.566 -4.284 558 HA LEU 73 HA LEU 73 -11.735 -5.743 -5.633 559 1HB LEU 73 2HB LEU 73 -12.854 -5.611 -2.856 560 2HB LEU 73 1HB LEU 73 -11.805 -6.870 -3.458 561 HG LEU 73 HG LEU 73 -10.441 -5.578 -2.177 562 1HD1 LEU 73 1HD1 LEU 73 -8.862 -4.420 -3.621 563 2HD1 LEU 73 2HD1 LEU 73 -10.029 -4.525 -4.934 564 3HD1 LEU 73 3HD1 LEU 73 -9.357 -5.999 -4.231 565 1HD2 LEU 73 1HD2 LEU 73 -11.587 -3.041 -3.338 566 2HD2 LEU 73 2HD2 LEU 73 -10.292 -3.150 -2.152 567 3HD2 LEU 73 3HD2 LEU 73 -11.909 -3.709 -1.738 568 H GLY 74 H GLY 74 -14.999 -5.015 -4.584 569 1HA GLY 74 2HA GLY 74 -16.116 -7.597 -4.941 570 2HA GLY 74 1HA GLY 74 -17.007 -6.078 -5.012 571 H ALA 75 H ALA 75 -15.508 -4.920 -7.101 572 HA ALA 75 HA ALA 75 -16.830 -6.000 -9.369 573 1HB ALA 75 1HB ALA 75 -14.705 -3.857 -9.187 574 2HB ALA 75 2HB ALA 75 -16.442 -3.592 -9.125 575 3HB ALA 75 3HB ALA 75 -15.695 -4.194 -10.603 576 H LEU 76 H LEU 76 -13.879 -6.697 -7.838 577 HA LEU 76 HA LEU 76 -12.471 -7.664 -10.161 578 1HB LEU 76 2HB LEU 76 -11.931 -8.076 -7.248 579 2HB LEU 76 1HB LEU 76 -10.812 -8.399 -8.559 580 HG LEU 76 HG LEU 76 -11.798 -5.723 -7.608 581 1HD1 LEU 76 1HD1 LEU 76 -10.215 -6.857 -6.182 582 2HD1 LEU 76 2HD1 LEU 76 -9.535 -5.419 -6.946 583 3HD1 LEU 76 3HD1 LEU 76 -9.113 -7.025 -7.548 584 1HD2 LEU 76 1HD2 LEU 76 -11.463 -5.647 -9.997 585 2HD2 LEU 76 2HD2 LEU 76 -9.901 -6.449 -9.780 586 3HD2 LEU 76 3HD2 LEU 76 -10.138 -4.825 -9.149 587 H LYS 77 H LYS 77 -15.159 -8.796 -8.917 588 HA LYS 77 HA LYS 77 -16.272 -10.774 -9.004 589 1HB LYS 77 2HB LYS 77 -13.743 -11.846 -10.336 590 2HB LYS 77 1HB LYS 77 -15.238 -12.744 -10.192 591 1HG LYS 77 2HG LYS 77 -15.049 -11.893 -12.446 592 2HG LYS 77 1HG LYS 77 -16.348 -11.024 -11.635 593 1HD LYS 77 2HD LYS 77 -14.793 -9.151 -11.221 594 2HD LYS 77 1HD LYS 77 -13.524 -10.036 -12.055 595 1HE LYS 77 2HE LYS 77 -14.772 -9.937 -14.121 596 2HE LYS 77 1HE LYS 77 -16.134 -9.172 -13.303 597 1HZ LYS 77 1HZ LYS 77 -14.752 -7.544 -14.458 598 2HZ LYS 77 2HZ LYS 77 -13.418 -8.020 -13.571 599 3HZ LYS 77 3HZ LYS 77 -14.717 -7.287 -12.787 600 H LEU 78 H LEU 78 -14.561 -9.999 -6.773 601 HA LEU 78 HA LEU 78 -13.604 -12.522 -5.688 602 1HB LEU 78 2HB LEU 78 -13.506 -9.748 -4.561 603 2HB LEU 78 1HB LEU 78 -12.688 -11.143 -3.899 604 HG LEU 78 HG LEU 78 -12.105 -9.868 -6.560 605 1HD1 LEU 78 1HD1 LEU 78 -10.546 -9.846 -3.977 606 2HD1 LEU 78 2HD1 LEU 78 -11.423 -8.487 -4.684 607 3HD1 LEU 78 3HD1 LEU 78 -10.018 -9.149 -5.513 608 1HD2 LEU 78 1HD2 LEU 78 -11.652 -12.255 -6.612 609 2HD2 LEU 78 2HD2 LEU 78 -10.719 -12.112 -5.118 610 3HD2 LEU 78 3HD2 LEU 78 -10.142 -11.342 -6.585 611 HA PRO 79 HA PRO 79 -17.364 -12.680 -3.165 612 1HB PRO 79 2HB PRO 79 -16.955 -15.141 -2.171 613 2HB PRO 79 1HB PRO 79 -17.526 -14.919 -3.829 614 1HG PRO 79 2HG PRO 79 -14.754 -15.476 -2.845 615 2HG PRO 79 1HG PRO 79 -15.622 -16.187 -4.222 616 1HD PRO 79 2HD PRO 79 -13.791 -14.199 -4.452 617 2HD PRO 79 1HD PRO 79 -15.121 -14.393 -5.596 618 H PHE 80 H PHE 80 -17.584 -13.224 -0.787 619 HA PHE 80 HA PHE 80 -15.470 -11.774 0.580 620 1HB PHE 80 2HB PHE 80 -17.921 -12.992 1.828 621 2HB PHE 80 1HB PHE 80 -16.954 -11.663 2.427 622 HD1 PHE 80 1HD PHE 80 -19.967 -11.983 1.968 623 HD2 PHE 80 2HD PHE 80 -16.882 -10.131 -0.272 624 HE1 PHE 80 1HE PHE 80 -21.634 -10.462 0.944 625 HE2 PHE 80 2HE PHE 80 -18.525 -8.601 -1.295 626 HZ PHE 80 HZ PHE 80 -20.901 -8.766 -0.682 627 H GLY 81 H GLY 81 -14.803 -12.660 2.744 628 1HA GLY 81 2HA GLY 81 -14.211 -14.300 4.197 629 2HA GLY 81 1HA GLY 81 -15.189 -15.429 3.333 630 H LYS 82 H LYS 82 -12.898 -13.930 1.279 631 HA LYS 82 HA LYS 82 -11.023 -16.033 1.916 632 1HB LYS 82 2HB LYS 82 -10.659 -16.660 -0.438 633 2HB LYS 82 1HB LYS 82 -12.297 -16.978 0.071 634 1HG LYS 82 2HG LYS 82 -12.349 -16.208 -2.176 635 2HG LYS 82 1HG LYS 82 -12.961 -14.891 -1.178 636 1HD LYS 82 2HD LYS 82 -10.932 -13.693 -1.358 637 2HD LYS 82 1HD LYS 82 -10.087 -15.084 -2.039 638 1HE LYS 82 2HE LYS 82 -12.322 -13.554 -3.355 639 2HE LYS 82 1HE LYS 82 -10.601 -13.370 -3.674 640 1HZ LYS 82 1HZ LYS 82 -10.470 -15.627 -4.421 641 2HZ LYS 82 2HZ LYS 82 -11.668 -14.875 -5.324 642 3HZ LYS 82 3HZ LYS 82 -12.073 -15.920 -4.071 643 H THR 83 H THR 83 -8.879 -15.794 0.849 644 HA THR 83 HA THR 83 -8.070 -12.998 1.164 645 HB THR 83 HB THR 83 -6.372 -15.503 1.105 646 HG1 THR 83 1HG THR 83 -7.970 -15.258 2.856 647 1HG2 THR 83 1HG2 THR 83 -5.785 -12.686 2.070 648 2HG2 THR 83 2HG2 THR 83 -5.166 -13.406 0.587 649 3HG2 THR 83 3HG2 THR 83 -4.675 -14.055 2.150 650 H THR 84 H THR 84 -7.503 -11.835 -0.422 651 HA THR 84 HA THR 84 -6.877 -13.102 -3.020 652 HB THR 84 HB THR 84 -7.942 -10.302 -2.547 653 HG1 THR 84 1HG THR 84 -9.583 -11.563 -2.022 654 1HG2 THR 84 1HG2 THR 84 -8.419 -10.378 -4.960 655 2HG2 THR 84 2HG2 THR 84 -7.743 -12.003 -5.047 656 3HG2 THR 84 3HG2 THR 84 -6.699 -10.636 -4.664 657 H VAL 85 H VAL 85 -4.980 -12.427 -4.067 658 HA VAL 85 HA VAL 85 -3.332 -10.519 -2.578 659 HB VAL 85 HB VAL 85 -2.393 -12.804 -2.675 660 1HG1 VAL 85 1HG1 VAL 85 -1.569 -13.737 -4.811 661 2HG1 VAL 85 2HG1 VAL 85 -2.392 -12.414 -5.658 662 3HG1 VAL 85 3HG1 VAL 85 -3.327 -13.579 -4.749 663 1HG2 VAL 85 1HG2 VAL 85 -0.874 -10.924 -2.522 664 2HG2 VAL 85 2HG2 VAL 85 -0.844 -10.777 -4.278 665 3HG2 VAL 85 3HG2 VAL 85 -0.151 -12.205 -3.499 666 H MET 86 H MET 86 -2.687 -8.659 -3.596 667 HA MET 86 HA MET 86 -2.947 -8.531 -6.490 668 1HB MET 86 2HB MET 86 -4.254 -6.628 -4.571 669 2HB MET 86 1HB MET 86 -4.023 -6.296 -6.281 670 1HG MET 86 2HG MET 86 -5.366 -8.174 -6.873 671 2HG MET 86 1HG MET 86 -5.570 -8.641 -5.201 672 1HE MET 86 1HE MET 86 -6.352 -6.054 -7.969 673 2HE MET 86 2HE MET 86 -5.623 -4.981 -6.758 674 3HE MET 86 3HE MET 86 -7.350 -4.893 -7.114 675 H HIS 87 H HIS 87 -1.845 -6.804 -7.477 676 HA HIS 87 HA HIS 87 0.429 -5.897 -5.842 677 1HB HIS 87 2HB HIS 87 0.299 -6.283 -8.852 678 2HB HIS 87 1HB HIS 87 1.673 -5.701 -7.895 679 HD1 HIS 87 1HD HIS 87 3.258 -7.448 -7.028 680 HD2 HIS 87 2HD HIS 87 -0.327 -9.089 -8.361 681 HE1 HIS 87 1HE HIS 87 3.602 -9.925 -7.055 682 HE2 HIS 87 2HE HIS 87 1.588 -10.781 -8.253 683 H LEU 88 H LEU 88 0.732 -3.727 -5.654 684 HA LEU 88 HA LEU 88 -1.014 -2.053 -7.293 685 1HB LEU 88 2HB LEU 88 -0.377 -1.785 -4.362 686 2HB LEU 88 1HB LEU 88 -1.055 -0.486 -5.310 687 HG LEU 88 HG LEU 88 -2.808 -1.525 -4.015 688 1HD1 LEU 88 1HD1 LEU 88 -3.425 -0.697 -6.169 689 2HD1 LEU 88 2HD1 LEU 88 -4.381 -2.103 -5.704 690 3HD1 LEU 88 3HD1 LEU 88 -3.081 -2.279 -6.879 691 1HD2 LEU 88 1HD2 LEU 88 -2.055 -4.101 -5.388 692 2HD2 LEU 88 2HD2 LEU 88 -3.455 -3.874 -4.355 693 3HD2 LEU 88 3HD2 LEU 88 -1.826 -3.739 -3.679 694 H VAL 89 H VAL 89 -0.234 -0.142 -7.985 695 HA VAL 89 HA VAL 89 2.571 0.323 -7.386 696 HB VAL 89 HB VAL 89 2.830 1.360 -9.636 697 1HG1 VAL 89 1HG1 VAL 89 1.934 -1.517 -9.678 698 2HG1 VAL 89 2HG1 VAL 89 3.557 -0.930 -9.321 699 3HG1 VAL 89 3HG1 VAL 89 2.881 -0.726 -10.934 700 1HG2 VAL 89 1HG2 VAL 89 0.462 1.880 -10.029 701 2HG2 VAL 89 2HG2 VAL 89 0.135 0.149 -10.229 702 3HG2 VAL 89 3HG2 VAL 89 1.196 0.996 -11.362 703 H ALA 90 H ALA 90 3.142 2.272 -6.776 704 HA ALA 90 HA ALA 90 1.291 4.469 -7.154 705 1HB ALA 90 1HB ALA 90 2.815 3.934 -4.580 706 2HB ALA 90 2HB ALA 90 1.068 3.739 -4.817 707 3HB ALA 90 3HB ALA 90 1.806 5.338 -4.979 708 H ARG 91 H ARG 91 2.376 6.459 -7.418 709 HA ARG 91 HA ARG 91 5.240 6.229 -7.877 710 1HB ARG 91 2HB ARG 91 3.893 5.600 -9.926 711 2HB ARG 91 1HB ARG 91 3.229 7.217 -9.905 712 1HG ARG 91 2HG ARG 91 5.420 8.145 -10.249 713 2HG ARG 91 1HG ARG 91 6.129 6.520 -10.217 714 1HD ARG 91 2HD ARG 91 4.617 5.922 -12.125 715 2HD ARG 91 1HD ARG 91 4.150 7.615 -12.198 716 HE ARG 91 HE ARG 91 6.927 7.466 -12.343 717 1HH1 ARG 91 1HH1 ARG 91 4.080 6.658 -14.294 718 2HH1 ARG 91 2HH1 ARG 91 4.872 6.707 -15.790 719 1HH2 ARG 91 1HH2 ARG 91 8.065 7.502 -14.397 720 2HH2 ARG 91 2HH2 ARG 91 7.218 7.206 -15.856 721 H GLU 92 H GLU 92 6.174 8.076 -7.154 722 HA GLU 92 HA GLU 92 6.497 10.151 -6.345 723 1HB GLU 92 2HB GLU 92 3.901 10.851 -7.743 724 2HB GLU 92 1HB GLU 92 5.000 12.022 -7.028 725 1HG GLU 92 2HG GLU 92 5.695 10.153 -9.283 726 2HG GLU 92 1HG GLU 92 5.226 11.838 -9.480 727 H THR 93 H THR 93 3.897 8.284 -5.475 728 HA THR 93 HA THR 93 2.412 9.663 -3.700 729 HB THR 93 HB THR 93 3.298 6.786 -3.599 730 HG1 THR 93 1HG THR 93 1.103 8.073 -4.851 731 1HG2 THR 93 1HG2 THR 93 2.140 7.512 -1.541 732 2HG2 THR 93 2HG2 THR 93 1.141 6.405 -2.487 733 3HG2 THR 93 3HG2 THR 93 0.810 8.138 -2.518 734 H LEU 94 H LEU 94 2.798 10.427 -1.742 735 HA LEU 94 HA LEU 94 5.407 10.144 -0.490 736 1HB LEU 94 2HB LEU 94 3.013 11.775 0.413 737 2HB LEU 94 1HB LEU 94 4.591 11.820 1.145 738 HG LEU 94 HG LEU 94 4.359 13.781 -0.111 739 1HD1 LEU 94 1HD1 LEU 94 6.541 12.826 -0.269 740 2HD1 LEU 94 2HD1 LEU 94 6.126 13.662 -1.766 741 3HD1 LEU 94 3HD1 LEU 94 6.063 11.904 -1.695 742 1HD2 LEU 94 1HD2 LEU 94 3.821 13.833 -2.512 743 2HD2 LEU 94 2HD2 LEU 94 2.510 13.176 -1.534 744 3HD2 LEU 94 3HD2 LEU 94 3.543 12.092 -2.466 745 HA PRO 95 HA PRO 95 4.198 7.041 2.485 746 1HB PRO 95 2HB PRO 95 5.604 8.716 4.510 747 2HB PRO 95 1HB PRO 95 5.852 7.012 4.109 748 1HG PRO 95 2HG PRO 95 7.617 8.827 3.313 749 2HG PRO 95 1HG PRO 95 7.139 7.510 2.230 750 1HD PRO 95 2HD PRO 95 6.273 10.375 2.218 751 2HD PRO 95 1HD PRO 95 6.680 9.309 0.857 752 H GLU 96 H GLU 96 4.017 10.412 3.572 753 HA GLU 96 HA GLU 96 1.395 9.826 4.708 754 1HB GLU 96 2HB GLU 96 3.120 10.036 6.509 755 2HB GLU 96 1HB GLU 96 3.500 11.647 5.929 756 1HG GLU 96 2HG GLU 96 1.227 12.374 6.478 757 2HG GLU 96 1HG GLU 96 0.860 10.753 7.063 758 HA PRO 97 HA PRO 97 -0.238 12.937 1.957 759 1HB PRO 97 2HB PRO 97 -1.565 14.367 4.059 760 2HB PRO 97 1HB PRO 97 -2.265 13.263 2.878 761 1HG PRO 97 2HG PRO 97 -1.389 12.758 5.653 762 2HG PRO 97 1HG PRO 97 -2.613 11.908 4.695 763 1HD PRO 97 2HD PRO 97 -0.282 10.776 5.265 764 2HD PRO 97 1HD PRO 97 -1.019 10.554 3.666 765 H ASN 98 H ASN 98 0.362 14.651 5.066 766 HA ASN 98 HA ASN 98 2.444 16.260 3.985 767 1HB ASN 98 2HB ASN 98 0.525 17.268 2.767 768 2HB ASN 98 1HB ASN 98 -0.242 17.597 4.314 769 1HD2 ASN 98 1HD2 ASN 98 0.530 19.293 5.565 770 2HD2 ASN 98 2HD2 ASN 98 1.584 20.515 4.965 771 H SER 99 H SER 99 3.242 15.340 5.990 772 HA SER 99 HA SER 99 3.846 15.438 8.206 773 1HB SER 99 2HB SER 99 3.308 18.362 7.661 774 2HB SER 99 1HB SER 99 4.288 17.735 8.985 775 HG SER 99 HG SER 99 4.795 17.476 6.195 776 H GLN 100 H GLN 100 1.040 14.848 7.936 777 HA GLN 100 HA GLN 100 -0.528 16.546 9.591 778 1HB GLN 100 2HB GLN 100 -2.307 14.872 9.405 779 2HB GLN 100 1HB GLN 100 -1.573 15.183 7.863 780 1HG GLN 100 2HG GLN 100 -0.355 13.148 7.912 781 2HG GLN 100 1HG GLN 100 -0.856 12.834 9.569 782 1HE2 GLN 100 1HE2 GLN 100 -1.805 10.910 9.083 783 2HE2 GLN 100 2HE2 GLN 100 -3.256 10.791 8.154 784 H GLY 101 H GLY 101 1.108 13.466 10.197 785 1HA GLY 101 2HA GLY 101 1.510 12.301 12.138 786 2HA GLY 101 1HA GLY 101 1.487 13.866 12.933 787 H GLN 102 H GLN 102 -1.320 12.678 11.265 788 HA GLN 102 HA GLN 102 -2.808 12.843 13.743 789 1HB GLN 102 2HB GLN 102 -3.779 12.234 10.953 790 2HB GLN 102 1HB GLN 102 -4.798 12.545 12.348 791 1HG GLN 102 2HG GLN 102 -2.848 14.498 11.176 792 2HG GLN 102 1HG GLN 102 -4.578 14.489 10.816 793 1HE2 GLN 102 1HE2 GLN 102 -4.867 16.526 11.594 794 2HE2 GLN 102 2HE2 GLN 102 -4.732 16.950 13.271 795 H ARG 103 H ARG 103 -3.064 11.216 15.021 796 HA ARG 103 HA ARG 103 -3.631 9.231 15.912 797 1HB ARG 103 2HB ARG 103 -5.282 9.239 13.902 798 2HB ARG 103 1HB ARG 103 -4.187 8.099 13.162 799 1HG ARG 103 2HG ARG 103 -5.679 7.674 15.766 800 2HG ARG 103 1HG ARG 103 -6.168 7.039 14.213 801 1HD ARG 103 2HD ARG 103 -3.649 6.322 15.729 802 2HD ARG 103 1HD ARG 103 -5.112 5.348 15.638 803 HE ARG 103 HE ARG 103 -3.479 5.999 13.280 804 1HH1 ARG 103 1HH1 ARG 103 -5.136 3.588 15.286 805 2HH1 ARG 103 2HH1 ARG 103 -4.830 2.292 14.236 806 1HH2 ARG 103 1HH2 ARG 103 -3.054 4.194 11.823 807 2HH2 ARG 103 2HH2 ARG 103 -3.631 2.646 12.235 808 H ASN 104 H ASN 104 -1.534 9.077 13.129 809 HA ASN 104 HA ASN 104 0.558 8.200 12.829 810 1HB ASN 104 2HB ASN 104 1.017 8.702 15.265 811 2HB ASN 104 1HB ASN 104 0.321 7.156 15.700 812 1HD2 ASN 104 1HD2 ASN 104 2.207 6.427 16.707 813 2HD2 ASN 104 2HD2 ASN 104 3.640 6.071 15.841 814 H ARG 105 H ARG 105 1.657 5.780 13.145 815 HA ARG 105 HA ARG 105 0.263 4.019 11.540 816 1HB ARG 105 2HB ARG 105 2.501 3.571 13.468 817 2HB ARG 105 1HB ARG 105 1.914 2.319 12.375 818 1HG ARG 105 2HG ARG 105 2.484 3.587 10.469 819 2HG ARG 105 1HG ARG 105 2.791 5.019 11.445 820 1HD ARG 105 2HD ARG 105 4.820 4.022 10.751 821 2HD ARG 105 1HD ARG 105 4.572 3.929 12.513 822 HE ARG 105 HE ARG 105 3.746 1.542 11.205 823 1HH1 ARG 105 1HH1 ARG 105 6.658 3.234 12.249 824 2HH1 ARG 105 2HH1 ARG 105 7.622 1.856 12.469 825 1HH2 ARG 105 1HH2 ARG 105 5.060 -0.443 11.494 826 2HH2 ARG 105 2HH2 ARG 105 6.673 -0.300 12.006 827 H GLU 106 H GLU 106 0.321 4.486 14.947 828 HA GLU 106 HA GLU 106 -2.090 3.315 15.559 829 1HB GLU 106 2HB GLU 106 -0.752 1.192 15.233 830 2HB GLU 106 1HB GLU 106 0.380 1.762 16.445 831 1HG GLU 106 2HG GLU 106 -1.193 0.085 17.297 832 2HG GLU 106 1HG GLU 106 -1.307 1.620 18.150 833 H LYS 107 H LYS 107 -2.420 3.754 17.928 834 HA LYS 107 HA LYS 107 -0.855 6.041 18.671 835 1HB LYS 107 2HB LYS 107 -3.087 4.649 20.170 836 2HB LYS 107 1HB LYS 107 -2.278 6.101 20.738 837 1HG LYS 107 2HG LYS 107 -3.020 7.312 18.763 838 2HG LYS 107 1HG LYS 107 -3.800 5.854 18.155 839 1HD LYS 107 2HD LYS 107 -5.420 7.368 19.198 840 2HD LYS 107 1HD LYS 107 -5.304 5.841 20.068 841 1HE LYS 107 2HE LYS 107 -5.416 7.767 21.599 842 2HE LYS 107 1HE LYS 107 -3.907 6.886 21.775 843 1HZ LYS 107 1HZ LYS 107 -4.230 9.407 20.210 844 2HZ LYS 107 2HZ LYS 107 -2.772 8.605 20.527 845 3HZ LYS 107 3HZ LYS 107 -3.640 9.297 21.772 846 H THR 108 H THR 108 -0.764 2.752 19.359 847 HA THR 108 HA THR 108 1.840 3.140 20.336 848 HB THR 108 HB THR 108 0.776 3.173 22.516 849 HG1 THR 108 1HG THR 108 2.660 1.765 22.072 850 1HG2 THR 108 1HG2 THR 108 -1.368 2.127 21.990 851 2HG2 THR 108 2HG2 THR 108 -0.623 1.315 23.367 852 3HG2 THR 108 3HG2 THR 108 -0.573 0.569 21.768 853 H GLY 109 H GLY 109 2.698 2.171 18.713 854 1HA GLY 109 2HA GLY 109 2.971 -0.516 18.384 855 2HA GLY 109 1HA GLY 109 1.501 -0.152 17.486 856 H GLU 110 H GLU 110 4.181 2.038 17.825 857 HA GLU 110 HA GLU 110 4.710 1.814 14.975 858 1HB GLU 110 2HB GLU 110 5.865 4.010 15.251 859 2HB GLU 110 1HB GLU 110 4.171 4.082 15.677 860 1HG GLU 110 2HG GLU 110 6.351 3.788 17.735 861 2HG GLU 110 1HG GLU 110 5.798 5.353 17.159 862 H SER 111 H SER 111 7.333 2.788 14.975 863 HA SER 111 HA SER 111 8.704 0.438 15.711 864 1HB SER 111 2HB SER 111 9.815 3.065 14.710 865 2HB SER 111 1HB SER 111 10.667 1.516 14.744 866 HG SER 111 HG SER 111 9.480 0.786 13.115 867 H ASN 112 H ASN 112 8.344 0.333 17.854 868 HA ASN 112 HA ASN 112 10.431 0.892 19.535 869 1HB ASN 112 2HB ASN 112 9.501 2.448 21.223 870 2HB ASN 112 1HB ASN 112 9.661 3.251 19.676 871 1HD2 ASN 112 1HD2 ASN 112 8.220 4.828 20.243 872 2HD2 ASN 112 2HD2 ASN 112 6.520 4.563 20.403 873 H CYS 113 H CYS 113 7.130 0.046 19.004 874 HA CYS 113 HA CYS 113 7.076 -1.592 21.369 875 1HB CYS 113 2HB CYS 113 5.068 -1.299 19.118 876 2HB CYS 113 1HB CYS 113 4.812 -2.235 20.584 877 HG CYS 113 HG CYS 113 5.455 1.104 20.665 878 H CYS 114 H CYS 114 8.747 -2.959 21.000 879 HA CYS 114 HA CYS 114 8.515 -4.741 18.710 880 1HB CYS 114 2HB CYS 114 10.883 -5.301 19.262 881 2HB CYS 114 1HB CYS 114 10.631 -3.619 18.804 882 HG CYS 114 HG CYS 114 10.765 -4.629 22.037 883 H VAL 115 H VAL 115 7.542 -6.588 19.159 884 HA VAL 115 HA VAL 115 7.728 -7.527 21.868 885 HB VAL 115 HB VAL 115 5.444 -7.520 21.003 886 1HG1 VAL 115 1HG1 VAL 115 4.695 -8.972 19.183 887 2HG1 VAL 115 2HG1 VAL 115 6.374 -9.383 18.836 888 3HG1 VAL 115 3HG1 VAL 115 5.813 -7.723 18.635 889 1HG2 VAL 115 1HG2 VAL 115 6.483 -10.334 21.300 890 2HG2 VAL 115 2HG2 VAL 115 4.793 -9.844 21.455 891 3HG2 VAL 115 3HG2 VAL 115 5.992 -9.255 22.605 892 H ILE 116 H ILE 116 9.697 -8.204 22.047 893 HA ILE 116 HA ILE 116 10.424 -10.509 20.410 894 HB ILE 116 HB ILE 116 11.919 -8.671 19.855 895 1HG1 ILE 116 2HG1 ILE 116 13.351 -10.664 21.637 896 2HG1 ILE 116 1HG1 ILE 116 12.905 -10.933 19.959 897 1HG2 ILE 116 1HG2 ILE 116 12.540 -8.463 22.794 898 2HG2 ILE 116 2HG2 ILE 116 11.674 -7.281 21.810 899 3HG2 ILE 116 3HG2 ILE 116 13.382 -7.595 21.512 900 1HD1 ILE 116 1HD1 ILE 116 15.267 -10.392 20.185 901 2HD1 ILE 116 2HD1 ILE 116 14.846 -8.856 20.953 902 3HD1 ILE 116 3HD1 ILE 116 14.418 -9.146 19.271 903 H LEU 117 H LEU 117 10.933 -12.305 21.439 904 HA LEU 117 HA LEU 117 10.605 -12.257 24.330 905 1HB LEU 117 2HB LEU 117 9.102 -13.668 22.987 906 2HB LEU 117 1HB LEU 117 10.486 -14.510 22.335 907 HG LEU 117 HG LEU 117 10.979 -15.407 24.580 908 1HD1 LEU 117 1HD1 LEU 117 9.303 -15.184 26.356 909 2HD1 LEU 117 2HD1 LEU 117 8.404 -14.041 25.359 910 3HD1 LEU 117 3HD1 LEU 117 10.016 -13.630 25.935 911 1HD2 LEU 117 1HD2 LEU 117 8.172 -15.900 23.598 912 2HD2 LEU 117 2HD2 LEU 117 9.095 -16.963 24.656 913 3HD2 LEU 117 3HD2 LEU 117 9.633 -16.685 23.001 Start of MODEL 14 1 H SER 2 H SER 2 -3.885 -12.297 11.682 2 HA SER 2 HA SER 2 -5.671 -12.780 9.455 3 1HB SER 2 2HB SER 2 -3.454 -14.506 10.610 4 2HB SER 2 1HB SER 2 -4.371 -14.817 9.130 5 HG SER 2 HG SER 2 -3.393 -13.197 8.125 6 H SER 3 H SER 3 -7.594 -13.449 9.983 7 HA SER 3 HA SER 3 -8.006 -15.534 11.935 8 1HB SER 3 2HB SER 3 -8.081 -13.369 13.233 9 2HB SER 3 1HB SER 3 -9.369 -12.818 12.171 10 HG SER 3 HG SER 3 -10.289 -13.619 13.991 11 H ASN 4 H ASN 4 -10.794 -15.275 11.962 12 HA ASN 4 HA ASN 4 -11.435 -16.420 9.406 13 1HB ASN 4 2HB ASN 4 -13.359 -15.605 11.604 14 2HB ASN 4 1HB ASN 4 -13.698 -16.672 10.255 15 1HD2 ASN 4 1HD2 ASN 4 -12.219 -16.349 13.336 16 2HD2 ASN 4 2HD2 ASN 4 -11.870 -18.008 13.601 17 H VAL 5 H VAL 5 -11.877 -15.285 7.648 18 HA VAL 5 HA VAL 5 -12.416 -12.480 7.835 19 HB VAL 5 HB VAL 5 -12.472 -14.214 5.370 20 1HG1 VAL 5 1HG1 VAL 5 -11.903 -12.117 4.194 21 2HG1 VAL 5 2HG1 VAL 5 -11.975 -11.269 5.742 22 3HG1 VAL 5 3HG1 VAL 5 -13.431 -11.995 5.082 23 1HG2 VAL 5 1HG2 VAL 5 -10.351 -14.536 6.532 24 2HG2 VAL 5 2HG2 VAL 5 -10.066 -12.785 6.518 25 3HG2 VAL 5 3HG2 VAL 5 -10.136 -13.687 5.010 26 HA PRO 6 HA PRO 6 -16.844 -13.384 7.912 27 1HB PRO 6 2HB PRO 6 -17.282 -10.535 7.735 28 2HB PRO 6 1HB PRO 6 -17.596 -11.610 9.091 29 1HG PRO 6 2HG PRO 6 -15.645 -9.690 9.041 30 2HG PRO 6 1HG PRO 6 -15.574 -11.132 10.074 31 1HD PRO 6 2HD PRO 6 -14.158 -10.515 7.534 32 2HD PRO 6 1HD PRO 6 -13.627 -11.475 8.931 33 H ALA 7 H ALA 7 -18.580 -13.263 6.415 34 HA ALA 7 HA ALA 7 -17.806 -12.573 3.788 35 1HB ALA 7 1HB ALA 7 -20.013 -13.416 3.135 36 2HB ALA 7 2HB ALA 7 -20.428 -13.604 4.848 37 3HB ALA 7 3HB ALA 7 -19.126 -14.563 4.139 38 H ASP 8 H ASP 8 -17.419 -10.528 4.419 39 HA ASP 8 HA ASP 8 -19.354 -8.605 3.553 40 1HB ASP 8 2HB ASP 8 -20.050 -8.790 5.927 41 2HB ASP 8 1HB ASP 8 -18.393 -8.504 6.436 42 H MET 9 H MET 9 -16.305 -9.616 4.844 43 HA MET 9 HA MET 9 -14.959 -7.249 3.745 44 1HB MET 9 2HB MET 9 -13.951 -9.279 5.739 45 2HB MET 9 1HB MET 9 -13.133 -7.813 5.238 46 1HG MET 9 2HG MET 9 -15.723 -7.946 6.701 47 2HG MET 9 1HG MET 9 -14.160 -7.664 7.469 48 1HE MET 9 1HE MET 9 -13.248 -4.133 6.002 49 2HE MET 9 2HE MET 9 -12.781 -5.694 5.344 50 3HE MET 9 3HE MET 9 -12.733 -5.427 7.093 51 H ILE 10 H ILE 10 -13.146 -7.673 2.469 52 HA ILE 10 HA ILE 10 -12.793 -10.455 1.760 53 HB ILE 10 HB ILE 10 -11.841 -9.642 -0.473 54 1HG1 ILE 10 2HG1 ILE 10 -12.947 -7.472 -1.284 55 2HG1 ILE 10 1HG1 ILE 10 -13.098 -7.077 0.421 56 1HG2 ILE 10 1HG2 ILE 10 -13.937 -10.723 -0.429 57 2HG2 ILE 10 2HG2 ILE 10 -13.965 -9.331 -1.540 58 3HG2 ILE 10 3HG2 ILE 10 -14.736 -9.206 0.040 59 1HD1 ILE 10 1HD1 ILE 10 -10.640 -7.207 0.613 60 2HD1 ILE 10 2HD1 ILE 10 -11.216 -6.029 -0.610 61 3HD1 ILE 10 3HD1 ILE 10 -10.612 -7.594 -1.126 62 H ASN 11 H ASN 11 -10.774 -11.348 1.719 63 HA ASN 11 HA ASN 11 -8.911 -9.912 3.424 64 1HB ASN 11 2HB ASN 11 -9.584 -12.290 3.817 65 2HB ASN 11 1HB ASN 11 -8.830 -12.753 2.335 66 1HD2 ASN 11 1HD2 ASN 11 -6.515 -10.949 2.859 67 2HD2 ASN 11 2HD2 ASN 11 -5.542 -11.753 4.042 68 H LEU 12 H LEU 12 -7.573 -8.580 2.392 69 HA LEU 12 HA LEU 12 -6.707 -9.342 -0.294 70 1HB LEU 12 2HB LEU 12 -8.255 -7.593 -0.466 71 2HB LEU 12 1HB LEU 12 -7.529 -6.715 0.857 72 HG LEU 12 HG LEU 12 -5.572 -6.253 -0.541 73 1HD1 LEU 12 1HD1 LEU 12 -7.080 -7.640 -2.746 74 2HD1 LEU 12 2HD1 LEU 12 -5.544 -8.118 -1.980 75 3HD1 LEU 12 3HD1 LEU 12 -5.621 -6.651 -2.926 76 1HD2 LEU 12 1HD2 LEU 12 -8.207 -5.467 -1.722 77 2HD2 LEU 12 2HD2 LEU 12 -6.672 -4.672 -2.046 78 3HD2 LEU 12 3HD2 LEU 12 -7.355 -4.654 -0.413 79 H ARG 13 H ARG 13 -4.641 -9.375 -0.680 80 HA ARG 13 HA ARG 13 -2.844 -8.117 1.263 81 1HB ARG 13 2HB ARG 13 -2.539 -10.568 0.929 82 2HB ARG 13 1HB ARG 13 -2.209 -10.252 -0.761 83 1HG ARG 13 2HG ARG 13 -0.201 -9.140 -0.293 84 2HG ARG 13 1HG ARG 13 -0.589 -8.991 1.422 85 1HD ARG 13 2HD ARG 13 1.033 -10.733 1.140 86 2HD ARG 13 1HD ARG 13 -0.527 -11.403 1.620 87 HE ARG 13 HE ARG 13 0.641 -11.540 -1.069 88 1HH1 ARG 13 1HH1 ARG 13 -1.702 -12.808 1.337 89 2HH1 ARG 13 2HH1 ARG 13 -1.902 -14.266 0.493 90 1HH2 ARG 13 1HH2 ARG 13 0.316 -13.614 -2.162 91 2HH2 ARG 13 2HH2 ARG 13 -0.766 -14.733 -1.468 92 H LEU 14 H LEU 14 -2.009 -6.410 0.688 93 HA LEU 14 HA LEU 14 -1.947 -5.534 -2.123 94 1HB LEU 14 2HB LEU 14 -1.491 -3.852 0.412 95 2HB LEU 14 1HB LEU 14 -1.481 -3.263 -1.230 96 HG LEU 14 HG LEU 14 -3.398 -2.603 -0.113 97 1HD1 LEU 14 1HD1 LEU 14 -3.630 -2.965 -2.464 98 2HD1 LEU 14 2HD1 LEU 14 -5.139 -3.333 -1.641 99 3HD1 LEU 14 3HD1 LEU 14 -4.097 -4.648 -2.197 100 1HD2 LEU 14 1HD2 LEU 14 -5.188 -4.175 0.528 101 2HD2 LEU 14 2HD2 LEU 14 -3.749 -4.280 1.557 102 3HD2 LEU 14 3HD2 LEU 14 -4.043 -5.504 0.326 103 H ILE 15 H ILE 15 -0.026 -5.722 -3.196 104 HA ILE 15 HA ILE 15 2.323 -5.994 -1.497 105 HB ILE 15 HB ILE 15 2.167 -6.552 -4.460 106 1HG1 ILE 15 2HG1 ILE 15 1.786 -8.476 -2.119 107 2HG1 ILE 15 1HG1 ILE 15 0.607 -8.018 -3.314 108 1HG2 ILE 15 1HG2 ILE 15 4.108 -7.248 -2.267 109 2HG2 ILE 15 2HG2 ILE 15 4.402 -6.145 -3.610 110 3HG2 ILE 15 3HG2 ILE 15 4.225 -7.882 -3.908 111 1HD1 ILE 15 1HD1 ILE 15 1.877 -9.078 -5.073 112 2HD1 ILE 15 2HD1 ILE 15 1.507 -10.212 -3.775 113 3HD1 ILE 15 3HD1 ILE 15 3.128 -9.526 -3.913 114 H LEU 16 H LEU 16 3.681 -4.410 -1.354 115 HA LEU 16 HA LEU 16 3.255 -1.984 -2.865 116 1HB LEU 16 2HB LEU 16 5.349 -2.651 -0.804 117 2HB LEU 16 1HB LEU 16 4.993 -1.054 -1.425 118 HG LEU 16 HG LEU 16 3.174 -2.758 0.269 119 1HD1 LEU 16 1HD1 LEU 16 5.019 -1.807 1.512 120 2HD1 LEU 16 2HD1 LEU 16 3.501 -1.015 1.945 121 3HD1 LEU 16 3HD1 LEU 16 4.645 -0.204 0.876 122 1HD2 LEU 16 1HD2 LEU 16 1.706 -0.787 0.307 123 2HD2 LEU 16 2HD2 LEU 16 1.859 -1.477 -1.303 124 3HD2 LEU 16 3HD2 LEU 16 2.740 -0.005 -0.892 125 H VAL 17 H VAL 17 5.141 -0.845 -3.835 126 HA VAL 17 HA VAL 17 6.438 -2.512 -5.737 127 HB VAL 17 HB VAL 17 7.592 -0.441 -6.487 128 1HG1 VAL 17 1HG1 VAL 17 5.363 -0.925 -7.325 129 2HG1 VAL 17 2HG1 VAL 17 5.589 0.817 -7.136 130 3HG1 VAL 17 3HG1 VAL 17 4.653 -0.087 -5.945 131 1HG2 VAL 17 1HG2 VAL 17 7.084 1.703 -5.406 132 2HG2 VAL 17 2HG2 VAL 17 7.935 0.617 -4.306 133 3HG2 VAL 17 3HG2 VAL 17 6.197 0.859 -4.138 134 H SER 18 H SER 18 7.177 -1.651 -2.589 135 HA SER 18 HA SER 18 10.053 -1.877 -2.593 136 1HB SER 18 2HB SER 18 8.098 -2.145 -0.322 137 2HB SER 18 1HB SER 18 9.776 -1.589 -0.263 138 HG SER 18 HG SER 18 9.118 0.350 -0.725 139 H GLY 19 H GLY 19 7.720 -4.131 -3.237 140 1HA GLY 19 2HA GLY 19 7.777 -6.418 -3.301 141 2HA GLY 19 1HA GLY 19 9.444 -6.342 -2.733 142 H LYS 20 H LYS 20 7.070 -4.716 -0.986 143 HA LYS 20 HA LYS 20 7.308 -6.651 1.200 144 1HB LYS 20 2HB LYS 20 6.633 -3.702 1.288 145 2HB LYS 20 1HB LYS 20 6.830 -4.767 2.671 146 1HG LYS 20 2HG LYS 20 9.003 -3.957 0.736 147 2HG LYS 20 1HG LYS 20 8.782 -3.361 2.383 148 1HD LYS 20 2HD LYS 20 9.083 -5.703 3.197 149 2HD LYS 20 1HD LYS 20 9.370 -6.128 1.493 150 1HE LYS 20 2HE LYS 20 11.036 -4.122 2.972 151 2HE LYS 20 1HE LYS 20 11.436 -5.833 2.902 152 1HZ LYS 20 1HZ LYS 20 11.569 -5.673 0.505 153 2HZ LYS 20 2HZ LYS 20 12.613 -4.577 1.231 154 3HZ LYS 20 3HZ LYS 20 11.194 -4.029 0.533 155 H THR 21 H THR 21 5.422 -7.521 1.992 156 HA THR 21 HA THR 21 3.038 -6.666 0.564 157 HB THR 21 HB THR 21 2.139 -8.880 1.033 158 HG1 THR 21 1HG THR 21 3.010 -9.920 2.632 159 1HG2 THR 21 1HG2 THR 21 3.632 -10.216 -0.396 160 2HG2 THR 21 2HG2 THR 21 4.897 -9.005 -0.188 161 3HG2 THR 21 3HG2 THR 21 3.408 -8.588 -1.028 162 H LYS 22 H LYS 22 1.351 -5.967 1.668 163 HA LYS 22 HA LYS 22 1.237 -6.613 4.525 164 1HB LYS 22 2HB LYS 22 0.257 -4.019 3.285 165 2HB LYS 22 1HB LYS 22 -0.125 -4.542 4.912 166 1HG LYS 22 2HG LYS 22 2.401 -4.499 5.334 167 2HG LYS 22 1HG LYS 22 2.509 -3.607 3.807 168 1HD LYS 22 2HD LYS 22 0.916 -1.938 4.676 169 2HD LYS 22 1HD LYS 22 0.828 -2.821 6.193 170 1HE LYS 22 2HE LYS 22 2.289 -0.949 6.511 171 2HE LYS 22 1HE LYS 22 3.280 -2.406 6.484 172 1HZ LYS 22 1HZ LYS 22 3.844 -1.915 4.193 173 2HZ LYS 22 2HZ LYS 22 4.249 -0.612 5.201 174 3HZ LYS 22 3HZ LYS 22 2.859 -0.539 4.232 175 H GLU 23 H GLU 23 -0.719 -7.365 5.254 176 HA GLU 23 HA GLU 23 -2.777 -7.553 3.187 177 1HB GLU 23 2HB GLU 23 -1.355 -9.641 3.463 178 2HB GLU 23 1HB GLU 23 -2.013 -9.765 5.082 179 1HG GLU 23 2HG GLU 23 -4.276 -9.854 4.049 180 2HG GLU 23 1HG GLU 23 -3.496 -9.866 2.506 181 H PHE 24 H PHE 24 -4.724 -7.031 3.929 182 HA PHE 24 HA PHE 24 -5.320 -7.083 6.772 183 1HB PHE 24 2HB PHE 24 -5.541 -4.573 5.099 184 2HB PHE 24 1HB PHE 24 -6.247 -4.765 6.681 185 HD1 PHE 24 1HD PHE 24 -3.331 -3.895 4.801 186 HD2 PHE 24 2HD PHE 24 -4.692 -5.053 8.657 187 HE1 PHE 24 1HE PHE 24 -1.266 -3.015 5.788 188 HE2 PHE 24 2HE PHE 24 -2.624 -4.182 9.654 189 HZ PHE 24 HZ PHE 24 -0.906 -3.159 8.221 190 H LEU 25 H LEU 25 -7.608 -6.845 7.152 191 HA LEU 25 HA LEU 25 -9.160 -7.840 4.955 192 1HB LEU 25 2HB LEU 25 -10.052 -6.857 7.669 193 2HB LEU 25 1HB LEU 25 -11.036 -7.738 6.525 194 HG LEU 25 HG LEU 25 -8.688 -8.790 8.090 195 1HD1 LEU 25 1HD1 LEU 25 -10.367 -10.246 9.116 196 2HD1 LEU 25 2HD1 LEU 25 -11.621 -9.432 8.173 197 3HD1 LEU 25 3HD1 LEU 25 -10.715 -8.534 9.383 198 1HD2 LEU 25 1HD2 LEU 25 -8.678 -9.796 5.878 199 2HD2 LEU 25 2HD2 LEU 25 -10.394 -10.154 6.022 200 3HD2 LEU 25 3HD2 LEU 25 -9.234 -10.968 7.079 201 H PHE 26 H PHE 26 -10.137 -6.567 3.541 202 HA PHE 26 HA PHE 26 -10.813 -3.843 4.328 203 1HB PHE 26 2HB PHE 26 -9.548 -4.727 1.712 204 2HB PHE 26 1HB PHE 26 -10.367 -3.186 1.902 205 HD1 PHE 26 1HD PHE 26 -9.411 -1.499 3.508 206 HD2 PHE 26 2HD PHE 26 -7.233 -5.014 2.402 207 HE1 PHE 26 1HE PHE 26 -7.311 -0.461 4.256 208 HE2 PHE 26 2HE PHE 26 -5.186 -3.980 3.146 209 HZ PHE 26 HZ PHE 26 -5.178 -1.718 4.059 210 H SER 27 H SER 27 -12.551 -2.977 2.752 211 HA SER 27 HA SER 27 -14.410 -5.188 2.577 212 1HB SER 27 2HB SER 27 -16.170 -3.505 2.437 213 2HB SER 27 1HB SER 27 -15.110 -3.119 3.767 214 HG SER 27 HG SER 27 -13.979 -1.738 2.148 215 HA PRO 28 HA PRO 28 -14.009 -5.494 -1.761 216 1HB PRO 28 2HB PRO 28 -16.592 -6.061 -2.512 217 2HB PRO 28 1HB PRO 28 -15.500 -7.197 -1.683 218 1HG PRO 28 2HG PRO 28 -17.568 -5.411 -0.443 219 2HG PRO 28 1HG PRO 28 -17.347 -7.164 -0.237 220 1HD PRO 28 2HD PRO 28 -16.351 -5.511 1.567 221 2HD PRO 28 1HD PRO 28 -15.379 -6.887 0.992 222 H ASN 29 H ASN 29 -15.829 -3.086 -0.268 223 HA ASN 29 HA ASN 29 -16.589 -1.706 -2.721 224 1HB ASN 29 2HB ASN 29 -17.117 -1.019 0.171 225 2HB ASN 29 1HB ASN 29 -17.720 -0.108 -1.206 226 1HD2 ASN 29 1HD2 ASN 29 -19.148 -1.455 0.907 227 2HD2 ASN 29 2HD2 ASN 29 -20.191 -2.599 0.163 228 H ASP 30 H ASP 30 -13.928 -1.811 -0.642 229 HA ASP 30 HA ASP 30 -13.257 0.982 -0.739 230 1HB ASP 30 2HB ASP 30 -11.581 -1.423 0.003 231 2HB ASP 30 1HB ASP 30 -10.941 0.214 0.024 232 H SER 31 H SER 31 -11.473 1.933 -1.870 233 HA SER 31 HA SER 31 -11.259 0.881 -4.570 234 1HB SER 31 2HB SER 31 -10.120 3.406 -3.335 235 2HB SER 31 1HB SER 31 -10.235 3.043 -5.055 236 HG SER 31 HG SER 31 -11.866 4.414 -4.320 237 H ALA 32 H ALA 32 -9.647 -0.450 -5.067 238 HA ALA 32 HA ALA 32 -7.649 -1.417 -3.364 239 1HB ALA 32 1HB ALA 32 -6.711 -2.394 -5.394 240 2HB ALA 32 2HB ALA 32 -7.705 -1.256 -6.330 241 3HB ALA 32 3HB ALA 32 -8.485 -2.512 -5.385 242 H SER 33 H SER 33 -7.404 1.224 -5.751 243 HA SER 33 HA SER 33 -4.605 1.480 -5.457 244 1HB SER 33 2HB SER 33 -5.089 3.618 -6.728 245 2HB SER 33 1HB SER 33 -5.535 2.100 -7.513 246 HG SER 33 HG SER 33 -7.192 3.638 -7.639 247 H ASP 34 H ASP 34 -7.388 2.954 -3.990 248 HA ASP 34 HA ASP 34 -6.098 5.046 -2.536 249 1HB ASP 34 2HB ASP 34 -8.561 4.923 -2.863 250 2HB ASP 34 1HB ASP 34 -8.591 3.447 -1.917 251 H ILE 35 H ILE 35 -7.004 1.742 -1.868 252 HA ILE 35 HA ILE 35 -6.002 1.486 0.739 253 HB ILE 35 HB ILE 35 -6.194 -0.629 -1.416 254 1HG1 ILE 35 2HG1 ILE 35 -8.123 0.058 0.802 255 2HG1 ILE 35 1HG1 ILE 35 -8.361 0.401 -0.912 256 1HG2 ILE 35 1HG2 ILE 35 -6.156 -2.235 0.405 257 2HG2 ILE 35 2HG2 ILE 35 -5.970 -0.919 1.561 258 3HG2 ILE 35 3HG2 ILE 35 -4.691 -1.247 0.390 259 1HD1 ILE 35 1HD1 ILE 35 -9.594 -1.585 -0.241 260 2HD1 ILE 35 2HD1 ILE 35 -8.088 -2.310 0.336 261 3HD1 ILE 35 3HD1 ILE 35 -8.302 -1.998 -1.381 262 H ALA 36 H ALA 36 -4.440 0.898 -2.412 263 HA ALA 36 HA ALA 36 -2.007 -0.026 -1.647 264 1HB ALA 36 1HB ALA 36 -2.512 2.037 -3.787 265 2HB ALA 36 2HB ALA 36 -2.702 0.296 -3.982 266 3HB ALA 36 3HB ALA 36 -1.104 0.982 -3.671 267 H LYS 37 H LYS 37 -3.122 3.353 -1.543 268 HA LYS 37 HA LYS 37 -0.598 4.361 -0.713 269 1HB LYS 37 2HB LYS 37 -3.368 5.460 -0.670 270 2HB LYS 37 1HB LYS 37 -1.988 6.453 -0.240 271 1HG LYS 37 2HG LYS 37 -1.105 5.929 -2.584 272 2HG LYS 37 1HG LYS 37 -2.670 5.194 -2.902 273 1HD LYS 37 2HD LYS 37 -2.642 7.465 -3.747 274 2HD LYS 37 1HD LYS 37 -3.767 7.347 -2.389 275 1HE LYS 37 2HE LYS 37 -2.016 8.272 -0.910 276 2HE LYS 37 1HE LYS 37 -0.945 8.402 -2.303 277 1HZ LYS 37 1HZ LYS 37 -3.534 9.793 -2.036 278 2HZ LYS 37 2HZ LYS 37 -2.437 10.011 -3.277 279 3HZ LYS 37 3HZ LYS 37 -2.032 10.472 -1.717 280 H HIS 38 H HIS 38 -3.545 3.361 0.820 281 HA HIS 38 HA HIS 38 -3.128 4.057 3.514 282 1HB HIS 38 2HB HIS 38 -5.292 3.295 2.598 283 2HB HIS 38 1HB HIS 38 -4.601 1.726 2.250 284 HD1 HIS 38 1HD HIS 38 -6.831 3.238 4.512 285 HD2 HIS 38 2HD HIS 38 -3.789 0.453 4.891 286 HE1 HIS 38 1HE HIS 38 -7.294 2.030 6.665 287 HE2 HIS 38 2HE HIS 38 -5.228 0.710 7.038 288 H VAL 39 H VAL 39 -2.393 1.054 1.808 289 HA VAL 39 HA VAL 39 -1.057 -0.133 4.043 290 HB VAL 39 HB VAL 39 -0.511 -1.986 2.492 291 1HG1 VAL 39 1HG1 VAL 39 -2.864 -2.718 2.205 292 2HG1 VAL 39 2HG1 VAL 39 -3.414 -1.084 2.461 293 3HG1 VAL 39 3HG1 VAL 39 -2.631 -1.956 3.774 294 1HG2 VAL 39 1HG2 VAL 39 -2.080 -0.329 0.577 295 2HG2 VAL 39 2HG2 VAL 39 -1.481 -1.954 0.265 296 3HG2 VAL 39 3HG2 VAL 39 -0.345 -0.600 0.455 297 H TYR 40 H TYR 40 -0.066 1.653 1.243 298 HA TYR 40 HA TYR 40 2.613 1.126 0.923 299 1HB TYR 40 2HB TYR 40 1.226 2.809 -0.343 300 2HB TYR 40 1HB TYR 40 1.439 3.913 0.999 301 HD1 TYR 40 1HD TYR 40 3.604 5.061 1.322 302 HD2 TYR 40 2HD TYR 40 3.026 2.295 -1.860 303 HE1 TYR 40 1HE TYR 40 5.637 5.914 0.213 304 HE2 TYR 40 2HE TYR 40 5.047 3.131 -2.969 305 HH TYR 40 HH TYR 40 6.314 5.209 -3.003 306 H ASP 41 H ASP 41 1.236 3.377 3.309 307 HA ASP 41 HA ASP 41 3.417 2.758 5.110 308 1HB ASP 41 2HB ASP 41 4.333 4.660 3.810 309 2HB ASP 41 1HB ASP 41 2.932 5.625 4.257 310 H ASN 42 H ASN 42 0.871 5.197 4.687 311 HA ASN 42 HA ASN 42 -0.537 4.230 7.043 312 1HB ASN 42 2HB ASN 42 1.264 5.958 7.710 313 2HB ASN 42 1HB ASN 42 0.330 7.127 6.789 314 1HD2 ASN 42 1HD2 ASN 42 1.027 7.158 9.520 315 2HD2 ASN 42 2HD2 ASN 42 -0.408 7.188 10.474 316 H TRP 43 H TRP 43 -2.643 5.552 7.137 317 HA TRP 43 HA TRP 43 -3.944 5.492 4.659 318 1HB TRP 43 2HB TRP 43 -5.180 5.207 6.734 319 2HB TRP 43 1HB TRP 43 -4.749 6.833 7.251 320 HD1 TRP 43 HD TRP 43 -6.768 5.122 4.429 321 HE1 TRP 43 1HE TRP 43 -8.728 6.670 3.810 322 HE3 TRP 43 3HE TRP 43 -5.709 9.069 7.498 323 HZ2 TRP 43 2HZ TRP 43 -9.705 9.200 4.525 324 HZ3 TRP 43 3HZ TRP 43 -7.213 11.009 7.473 325 HH2 TRP 43 HH TRP 43 -9.171 11.074 6.014 326 HA PRO 44 HA PRO 44 -2.567 9.406 3.058 327 1HB PRO 44 2HB PRO 44 -4.134 9.444 0.831 328 2HB PRO 44 1HB PRO 44 -2.667 8.464 0.977 329 1HG PRO 44 2HG PRO 44 -5.523 7.631 1.346 330 2HG PRO 44 1HG PRO 44 -4.263 6.775 0.480 331 1HD PRO 44 2HD PRO 44 -4.969 6.072 2.926 332 2HD PRO 44 1HD PRO 44 -3.291 5.983 2.369 333 H MET 45 H MET 45 -3.353 10.837 4.578 334 HA MET 45 HA MET 45 -6.138 11.637 4.546 335 1HB MET 45 2HB MET 45 -4.831 11.699 6.661 336 2HB MET 45 1HB MET 45 -3.762 12.901 5.956 337 1HG MET 45 2HG MET 45 -5.609 14.476 5.792 338 2HG MET 45 1HG MET 45 -6.712 13.270 6.448 339 1HE MET 45 1HE MET 45 -6.434 15.873 9.354 340 2HE MET 45 2HE MET 45 -7.522 14.996 8.277 341 3HE MET 45 3HE MET 45 -6.424 16.209 7.620 342 H ASP 46 H ASP 46 -3.023 12.878 3.616 343 HA ASP 46 HA ASP 46 -4.244 14.906 1.892 344 1HB ASP 46 2HB ASP 46 -2.315 15.556 3.397 345 2HB ASP 46 1HB ASP 46 -1.328 14.366 2.561 346 H TRP 47 H TRP 47 -3.633 14.765 -0.410 347 HA TRP 47 HA TRP 47 -3.432 11.969 -1.010 348 1HB TRP 47 2HB TRP 47 -4.158 14.211 -2.892 349 2HB TRP 47 1HB TRP 47 -4.235 12.486 -3.267 350 HD1 TRP 47 HD TRP 47 -6.415 15.171 -2.138 351 HE1 TRP 47 1HE TRP 47 -8.517 14.289 -0.988 352 HE3 TRP 47 3HE TRP 47 -4.971 10.322 -1.389 353 HZ2 TRP 47 2HZ TRP 47 -9.457 11.871 0.098 354 HZ3 TRP 47 3HZ TRP 47 -6.533 8.796 -0.275 355 HH2 TRP 47 HH TRP 47 -8.726 9.554 0.457 356 H GLU 48 H GLU 48 -2.136 14.353 -3.273 357 HA GLU 48 HA GLU 48 0.530 13.275 -2.677 358 1HB GLU 48 2HB GLU 48 -0.328 13.882 -5.530 359 2HB GLU 48 1HB GLU 48 1.178 13.206 -4.994 360 1HG GLU 48 2HG GLU 48 0.013 11.475 -6.041 361 2HG GLU 48 1HG GLU 48 -0.132 11.153 -4.314 362 H GLU 49 H GLU 49 2.024 14.876 -2.540 363 HA GLU 49 HA GLU 49 1.418 17.364 -3.887 364 1HB GLU 49 2HB GLU 49 0.472 17.476 -1.548 365 2HB GLU 49 1HB GLU 49 2.108 17.290 -0.938 366 1HG GLU 49 2HG GLU 49 2.767 19.383 -1.925 367 2HG GLU 49 1HG GLU 49 1.201 19.541 -2.715 368 H GLU 50 H GLU 50 3.234 15.119 -4.171 369 HA GLU 50 HA GLU 50 5.879 15.790 -3.479 370 1HB GLU 50 2HB GLU 50 4.900 13.580 -4.482 371 2HB GLU 50 1HB GLU 50 5.014 14.377 -6.030 372 1HG GLU 50 2HG GLU 50 7.358 13.743 -4.222 373 2HG GLU 50 1HG GLU 50 6.840 12.784 -5.587 374 H GLN 51 H GLN 51 3.919 16.349 -6.364 375 HA GLN 51 HA GLN 51 5.206 18.939 -6.764 376 1HB GLN 51 2HB GLN 51 4.755 16.891 -8.956 377 2HB GLN 51 1HB GLN 51 5.157 18.575 -9.248 378 1HG GLN 51 2HG GLN 51 6.876 16.622 -7.738 379 2HG GLN 51 1HG GLN 51 7.098 17.084 -9.423 380 1HE2 GLN 51 1HE2 GLN 51 8.798 17.380 -7.071 381 2HE2 GLN 51 2HE2 GLN 51 9.224 19.053 -6.995 382 H VAL 52 H VAL 52 2.653 16.855 -8.116 383 HA VAL 52 HA VAL 52 0.609 18.832 -7.477 384 HB VAL 52 HB VAL 52 0.943 17.717 -10.303 385 1HG1 VAL 52 1HG1 VAL 52 -0.972 19.114 -10.904 386 2HG1 VAL 52 2HG1 VAL 52 -1.147 19.591 -9.216 387 3HG1 VAL 52 3HG1 VAL 52 -1.390 17.908 -9.685 388 1HG2 VAL 52 1HG2 VAL 52 2.528 19.537 -9.915 389 2HG2 VAL 52 2HG2 VAL 52 1.217 20.571 -9.350 390 3HG2 VAL 52 3HG2 VAL 52 1.260 20.043 -11.033 391 H SER 53 H SER 53 -1.324 17.784 -6.953 392 HA SER 53 HA SER 53 -1.391 15.046 -6.469 393 1HB SER 53 2HB SER 53 -3.736 16.893 -6.967 394 2HB SER 53 1HB SER 53 -3.803 15.336 -6.135 395 HG SER 53 HG SER 53 -1.955 16.596 -4.872 396 H SER 54 H SER 54 -1.642 13.332 -7.761 397 HA SER 54 HA SER 54 -2.691 13.763 -10.440 398 1HB SER 54 2HB SER 54 -0.047 12.430 -9.823 399 2HB SER 54 1HB SER 54 -0.786 12.567 -11.417 400 HG SER 54 HG SER 54 0.062 14.669 -9.733 401 HA PRO 55 HA PRO 55 -4.615 9.944 -8.879 402 1HB PRO 55 2HB PRO 55 -6.344 9.693 -10.931 403 2HB PRO 55 1HB PRO 55 -6.669 10.731 -9.539 404 1HG PRO 55 2HG PRO 55 -5.672 11.471 -12.262 405 2HG PRO 55 1HG PRO 55 -6.832 12.329 -11.233 406 1HD PRO 55 2HD PRO 55 -4.264 13.101 -11.473 407 2HD PRO 55 1HD PRO 55 -5.167 13.302 -9.956 408 H ASN 56 H ASN 56 -3.012 10.651 -11.758 409 HA ASN 56 HA ASN 56 -3.089 8.227 -13.170 410 1HB ASN 56 2HB ASN 56 -0.953 10.349 -13.111 411 2HB ASN 56 1HB ASN 56 -1.055 9.058 -14.301 412 1HD2 ASN 56 1HD2 ASN 56 -2.595 9.180 -15.913 413 2HD2 ASN 56 2HD2 ASN 56 -3.524 10.611 -16.193 414 H ILE 57 H ILE 57 -1.486 8.964 -10.199 415 HA ILE 57 HA ILE 57 0.489 6.939 -10.579 416 HB ILE 57 HB ILE 57 1.212 7.471 -8.320 417 1HG1 ILE 57 2HG1 ILE 57 0.042 9.538 -7.173 418 2HG1 ILE 57 1HG1 ILE 57 -1.339 9.081 -8.155 419 1HG2 ILE 57 1HG2 ILE 57 1.798 9.839 -8.638 420 2HG2 ILE 57 2HG2 ILE 57 0.616 9.929 -9.943 421 3HG2 ILE 57 3HG2 ILE 57 2.021 8.871 -10.094 422 1HD1 ILE 57 1HD1 ILE 57 -1.508 8.213 -5.874 423 2HD1 ILE 57 2HD1 ILE 57 -0.005 7.311 -6.093 424 3HD1 ILE 57 3HD1 ILE 57 -1.420 6.912 -7.059 425 H LEU 58 H LEU 58 -2.742 7.064 -9.710 426 HA LEU 58 HA LEU 58 -2.761 4.797 -7.920 427 1HB LEU 58 2HB LEU 58 -4.982 6.352 -9.231 428 2HB LEU 58 1HB LEU 58 -5.251 5.058 -8.093 429 HG LEU 58 HG LEU 58 -3.877 7.684 -7.476 430 1HD1 LEU 58 1HD1 LEU 58 -6.636 6.685 -6.781 431 2HD1 LEU 58 2HD1 LEU 58 -6.254 7.962 -7.940 432 3HD1 LEU 58 3HD1 LEU 58 -5.912 8.195 -6.227 433 1HD2 LEU 58 1HD2 LEU 58 -4.089 6.981 -5.152 434 2HD2 LEU 58 2HD2 LEU 58 -3.084 5.850 -6.055 435 3HD2 LEU 58 3HD2 LEU 58 -4.754 5.435 -5.663 436 H ARG 59 H ARG 59 -1.956 3.092 -9.118 437 HA ARG 59 HA ARG 59 -3.809 2.044 -11.127 438 1HB ARG 59 2HB ARG 59 -0.829 2.246 -11.351 439 2HB ARG 59 1HB ARG 59 -1.607 0.834 -12.026 440 1HG ARG 59 2HG ARG 59 -1.203 2.500 -13.728 441 2HG ARG 59 1HG ARG 59 -2.933 2.287 -13.496 442 1HD ARG 59 2HD ARG 59 -2.930 4.286 -12.065 443 2HD ARG 59 1HD ARG 59 -1.221 4.507 -12.420 444 HE ARG 59 HE ARG 59 -1.910 4.658 -14.778 445 1HH1 ARG 59 1HH1 ARG 59 -4.217 5.476 -12.197 446 2HH1 ARG 59 2HH1 ARG 59 -5.034 6.668 -13.098 447 1HH2 ARG 59 1HH2 ARG 59 -3.060 6.326 -16.024 448 2HH2 ARG 59 2HH2 ARG 59 -4.390 7.128 -15.341 449 H LEU 60 H LEU 60 -3.975 -0.230 -11.196 450 HA LEU 60 HA LEU 60 -2.801 -1.560 -8.913 451 1HB LEU 60 2HB LEU 60 -4.972 -2.590 -8.332 452 2HB LEU 60 1HB LEU 60 -4.913 -0.869 -8.059 453 HG LEU 60 HG LEU 60 -6.164 -0.654 -10.300 454 1HD1 LEU 60 1HD1 LEU 60 -7.559 -2.533 -10.944 455 2HD1 LEU 60 2HD1 LEU 60 -6.744 -3.558 -9.761 456 3HD1 LEU 60 3HD1 LEU 60 -5.847 -2.909 -11.134 457 1HD2 LEU 60 1HD2 LEU 60 -8.284 -0.927 -9.227 458 2HD2 LEU 60 2HD2 LEU 60 -7.123 -0.267 -8.068 459 3HD2 LEU 60 3HD2 LEU 60 -7.554 -1.993 -8.041 460 H ILE 61 H ILE 61 -2.339 -3.663 -9.182 461 HA ILE 61 HA ILE 61 -2.844 -4.747 -11.847 462 HB ILE 61 HB ILE 61 -0.621 -5.218 -9.885 463 1HG1 ILE 61 2HG1 ILE 61 -0.540 -4.084 -12.650 464 2HG1 ILE 61 1HG1 ILE 61 -0.609 -3.100 -11.201 465 1HG2 ILE 61 1HG2 ILE 61 -1.077 -6.470 -12.619 466 2HG2 ILE 61 2HG2 ILE 61 -1.162 -7.310 -11.073 467 3HG2 ILE 61 3HG2 ILE 61 0.380 -6.672 -11.647 468 1HD1 ILE 61 1HD1 ILE 61 1.657 -3.237 -12.049 469 2HD1 ILE 61 2HD1 ILE 61 1.598 -5.001 -12.025 470 3HD1 ILE 61 3HD1 ILE 61 1.567 -4.090 -10.510 471 H TYR 62 H TYR 62 -4.153 -6.378 -11.875 472 HA TYR 62 HA TYR 62 -4.674 -7.752 -9.364 473 1HB TYR 62 2HB TYR 62 -6.632 -6.732 -10.563 474 2HB TYR 62 1HB TYR 62 -6.288 -7.781 -11.928 475 HD1 TYR 62 1HD TYR 62 -7.969 -9.372 -12.118 476 HD2 TYR 62 2HD TYR 62 -6.497 -8.383 -8.256 477 HE1 TYR 62 1HE TYR 62 -9.441 -11.066 -11.128 478 HE2 TYR 62 2HE TYR 62 -7.937 -10.076 -7.254 479 HH TYR 62 HH TYR 62 -10.067 -11.236 -7.825 480 H GLN 63 H GLN 63 -2.904 -8.981 -9.330 481 HA GLN 63 HA GLN 63 -1.640 -10.577 -9.491 482 1HB GLN 63 2HB GLN 63 -3.647 -11.955 -9.700 483 2HB GLN 63 1HB GLN 63 -3.525 -11.825 -11.460 484 1HG GLN 63 2HG GLN 63 -1.272 -12.481 -11.229 485 2HG GLN 63 1HG GLN 63 -1.538 -12.941 -9.587 486 1HE2 GLN 63 1HE2 GLN 63 -1.266 -15.188 -9.841 487 2HE2 GLN 63 2HE2 GLN 63 -2.406 -16.185 -10.661 488 H GLY 64 H GLY 64 -2.741 -10.063 -12.853 489 1HA GLY 64 2HA GLY 64 0.131 -9.922 -13.542 490 2HA GLY 64 1HA GLY 64 -1.032 -10.751 -14.552 491 H ARG 65 H ARG 65 -3.033 -8.481 -14.121 492 HA ARG 65 HA ARG 65 -1.598 -6.504 -15.749 493 1HB ARG 65 2HB ARG 65 -3.283 -6.324 -17.427 494 2HB ARG 65 1HB ARG 65 -2.924 -8.024 -17.250 495 1HG ARG 65 2HG ARG 65 -5.358 -6.608 -16.143 496 2HG ARG 65 1HG ARG 65 -5.308 -7.602 -17.589 497 1HD ARG 65 2HD ARG 65 -4.668 -9.529 -16.182 498 2HD ARG 65 1HD ARG 65 -4.826 -8.484 -14.760 499 HE ARG 65 HE ARG 65 -7.182 -8.391 -16.269 500 1HH1 ARG 65 1HH1 ARG 65 -5.463 -10.600 -14.108 501 2HH1 ARG 65 2HH1 ARG 65 -6.846 -11.470 -13.658 502 1HH2 ARG 65 1HH2 ARG 65 -9.118 -9.560 -15.583 503 2HH2 ARG 65 2HH2 ARG 65 -8.958 -10.854 -14.504 504 H PHE 66 H PHE 66 -2.686 -4.423 -15.986 505 HA PHE 66 HA PHE 66 -3.725 -3.550 -13.445 506 1HB PHE 66 2HB PHE 66 -3.297 -2.014 -16.028 507 2HB PHE 66 1HB PHE 66 -3.667 -1.313 -14.471 508 HD1 PHE 66 1HD PHE 66 -1.068 -2.952 -16.494 509 HD2 PHE 66 2HD PHE 66 -1.888 -0.942 -12.816 510 HE1 PHE 66 1HE PHE 66 1.328 -2.663 -16.103 511 HE2 PHE 66 2HE PHE 66 0.492 -0.659 -12.446 512 HZ PHE 66 HZ PHE 66 2.117 -1.514 -14.080 513 H LEU 67 H LEU 67 -5.846 -3.674 -13.054 514 HA LEU 67 HA LEU 67 -7.663 -4.075 -15.281 515 1HB LEU 67 2HB LEU 67 -8.290 -4.048 -12.348 516 2HB LEU 67 1HB LEU 67 -9.533 -4.150 -13.569 517 HG LEU 67 HG LEU 67 -7.357 -6.173 -13.049 518 1HD1 LEU 67 1HD1 LEU 67 -10.362 -6.311 -12.724 519 2HD1 LEU 67 2HD1 LEU 67 -9.214 -6.135 -11.423 520 3HD1 LEU 67 3HD1 LEU 67 -9.223 -7.610 -12.379 521 1HD2 LEU 67 1HD2 LEU 67 -9.551 -6.158 -15.120 522 2HD2 LEU 67 2HD2 LEU 67 -8.508 -7.523 -14.745 523 3HD2 LEU 67 3HD2 LEU 67 -7.816 -6.064 -15.442 524 H HIS 68 H HIS 68 -7.356 -1.517 -12.843 525 HA HIS 68 HA HIS 68 -8.083 0.582 -14.524 526 1HB HIS 68 2HB HIS 68 -10.349 -0.635 -14.426 527 2HB HIS 68 1HB HIS 68 -10.347 -0.278 -12.708 528 HD1 HIS 68 1HD HIS 68 -11.440 1.044 -15.891 529 HD2 HIS 68 2HD HIS 68 -10.366 2.653 -12.222 530 HE1 HIS 68 1HE HIS 68 -12.396 3.357 -15.874 531 HE2 HIS 68 2HE HIS 68 -11.409 4.393 -13.823 532 H GLY 69 H GLY 69 -7.534 2.383 -13.499 533 1HA GLY 69 2HA GLY 69 -5.947 2.324 -11.244 534 2HA GLY 69 1HA GLY 69 -6.562 3.758 -12.010 535 H ASN 70 H ASN 70 -9.161 1.920 -10.754 536 HA ASN 70 HA ASN 70 -9.126 3.029 -8.106 537 1HB ASN 70 2HB ASN 70 -9.478 5.072 -9.577 538 2HB ASN 70 1HB ASN 70 -10.996 4.365 -10.095 539 1HD2 ASN 70 1HD2 ASN 70 -12.783 4.468 -8.674 540 2HD2 ASN 70 2HD2 ASN 70 -12.731 5.397 -7.226 541 H VAL 71 H VAL 71 -9.789 0.569 -9.774 542 HA VAL 71 HA VAL 71 -12.634 0.330 -9.374 543 HB VAL 71 HB VAL 71 -11.656 -0.608 -11.410 544 1HG1 VAL 71 1HG1 VAL 71 -10.200 -2.486 -9.597 545 2HG1 VAL 71 2HG1 VAL 71 -9.496 -1.306 -10.728 546 3HG1 VAL 71 3HG1 VAL 71 -10.367 -2.711 -11.334 547 1HG2 VAL 71 1HG2 VAL 71 -12.695 -2.821 -11.381 548 2HG2 VAL 71 2HG2 VAL 71 -13.704 -1.589 -10.607 549 3HG2 VAL 71 3HG2 VAL 71 -12.761 -2.718 -9.624 550 H THR 72 H THR 72 -13.664 -1.122 -7.986 551 HA THR 72 HA THR 72 -12.278 -1.402 -5.521 552 HB THR 72 HB THR 72 -14.538 -2.114 -4.719 553 HG1 THR 72 1HG THR 72 -16.250 -1.698 -6.261 554 1HG2 THR 72 1HG2 THR 72 -15.539 0.119 -4.944 555 2HG2 THR 72 2HG2 THR 72 -14.445 0.479 -6.274 556 3HG2 THR 72 3HG2 THR 72 -13.806 0.245 -4.648 557 H LEU 73 H LEU 73 -12.553 -3.434 -4.245 558 HA LEU 73 HA LEU 73 -11.339 -5.544 -5.662 559 1HB LEU 73 2HB LEU 73 -12.532 -5.592 -2.910 560 2HB LEU 73 1HB LEU 73 -11.407 -6.744 -3.584 561 HG LEU 73 HG LEU 73 -10.139 -5.497 -2.174 562 1HD1 LEU 73 1HD1 LEU 73 -8.575 -4.210 -3.508 563 2HD1 LEU 73 2HD1 LEU 73 -9.712 -4.280 -4.851 564 3HD1 LEU 73 3HD1 LEU 73 -9.005 -5.766 -4.214 565 1HD2 LEU 73 1HD2 LEU 73 -10.070 -3.075 -1.997 566 2HD2 LEU 73 2HD2 LEU 73 -11.697 -3.690 -1.676 567 3HD2 LEU 73 3HD2 LEU 73 -11.321 -2.933 -3.220 568 H GLY 74 H GLY 74 -14.647 -5.004 -4.552 569 1HA GLY 74 2HA GLY 74 -15.605 -7.602 -5.071 570 2HA GLY 74 1HA GLY 74 -16.587 -6.139 -5.071 571 H ALA 75 H ALA 75 -15.037 -4.857 -7.125 572 HA ALA 75 HA ALA 75 -16.386 -5.887 -9.398 573 1HB ALA 75 1HB ALA 75 -14.355 -3.697 -9.147 574 2HB ALA 75 2HB ALA 75 -16.102 -3.499 -9.050 575 3HB ALA 75 3HB ALA 75 -15.344 -4.005 -10.564 576 H LEU 76 H LEU 76 -13.350 -6.507 -7.990 577 HA LEU 76 HA LEU 76 -11.953 -7.319 -10.421 578 1HB LEU 76 2HB LEU 76 -11.295 -7.996 -7.571 579 2HB LEU 76 1HB LEU 76 -10.220 -8.032 -8.937 580 HG LEU 76 HG LEU 76 -11.331 -5.507 -7.677 581 1HD1 LEU 76 1HD1 LEU 76 -9.830 -6.764 -6.242 582 2HD1 LEU 76 2HD1 LEU 76 -9.107 -5.265 -6.823 583 3HD1 LEU 76 3HD1 LEU 76 -8.644 -6.808 -7.538 584 1HD2 LEU 76 1HD2 LEU 76 -10.738 -5.339 -10.093 585 2HD2 LEU 76 2HD2 LEU 76 -9.105 -5.897 -9.610 586 3HD2 LEU 76 3HD2 LEU 76 -9.728 -4.379 -9.003 587 H LYS 77 H LYS 77 -14.401 -8.503 -8.613 588 HA LYS 77 HA LYS 77 -15.507 -10.375 -8.315 589 1HB LYS 77 2HB LYS 77 -13.528 -11.756 -10.154 590 2HB LYS 77 1HB LYS 77 -14.948 -12.530 -9.495 591 1HG LYS 77 2HG LYS 77 -15.442 -11.978 -11.744 592 2HG LYS 77 1HG LYS 77 -16.312 -10.811 -10.755 593 1HD LYS 77 2HD LYS 77 -14.598 -9.144 -11.177 594 2HD LYS 77 1HD LYS 77 -13.644 -10.311 -12.080 595 1HE LYS 77 2HE LYS 77 -16.402 -9.306 -12.820 596 2HE LYS 77 1HE LYS 77 -14.887 -8.818 -13.580 597 1HZ LYS 77 1HZ LYS 77 -14.596 -11.159 -14.279 598 2HZ LYS 77 2HZ LYS 77 -15.965 -10.440 -14.920 599 3HZ LYS 77 3HZ LYS 77 -16.126 -11.523 -13.646 600 H LEU 78 H LEU 78 -14.921 -10.117 -6.202 601 HA LEU 78 HA LEU 78 -13.275 -12.323 -5.226 602 1HB LEU 78 2HB LEU 78 -13.342 -9.517 -4.187 603 2HB LEU 78 1HB LEU 78 -12.991 -10.845 -3.117 604 HG LEU 78 HG LEU 78 -10.999 -11.378 -4.497 605 1HD1 LEU 78 1HD1 LEU 78 -10.180 -9.748 -6.092 606 2HD1 LEU 78 2HD1 LEU 78 -11.704 -8.856 -5.908 607 3HD1 LEU 78 3HD1 LEU 78 -11.710 -10.484 -6.593 608 1HD2 LEU 78 1HD2 LEU 78 -9.693 -9.424 -3.763 609 2HD2 LEU 78 2HD2 LEU 78 -10.752 -10.111 -2.536 610 3HD2 LEU 78 3HD2 LEU 78 -11.218 -8.618 -3.355 611 HA PRO 79 HA PRO 79 -17.165 -13.204 -3.219 612 1HB PRO 79 2HB PRO 79 -15.678 -15.595 -2.365 613 2HB PRO 79 1HB PRO 79 -17.177 -15.502 -3.290 614 1HG PRO 79 2HG PRO 79 -14.825 -16.273 -4.403 615 2HG PRO 79 1HG PRO 79 -16.091 -15.427 -5.306 616 1HD PRO 79 2HD PRO 79 -13.509 -14.321 -4.220 617 2HD PRO 79 1HD PRO 79 -14.416 -13.941 -5.696 618 H PHE 80 H PHE 80 -17.624 -12.965 -1.038 619 HA PHE 80 HA PHE 80 -15.662 -11.611 0.497 620 1HB PHE 80 2HB PHE 80 -18.181 -12.810 1.626 621 2HB PHE 80 1HB PHE 80 -17.261 -11.438 2.222 622 HD1 PHE 80 1HD PHE 80 -16.927 -9.860 -0.265 623 HD2 PHE 80 2HD PHE 80 -20.232 -12.016 1.274 624 HE1 PHE 80 1HE PHE 80 -18.461 -8.359 -1.494 625 HE2 PHE 80 2HE PHE 80 -21.785 -10.536 0.039 626 HZ PHE 80 HZ PHE 80 -20.884 -8.702 -1.344 627 H GLY 81 H GLY 81 -14.567 -12.222 2.335 628 1HA GLY 81 2HA GLY 81 -13.777 -13.592 3.981 629 2HA GLY 81 1HA GLY 81 -14.871 -14.851 3.480 630 H LYS 82 H LYS 82 -13.143 -13.758 0.811 631 HA LYS 82 HA LYS 82 -11.380 -16.039 1.164 632 1HB LYS 82 2HB LYS 82 -12.349 -14.821 -1.396 633 2HB LYS 82 1HB LYS 82 -11.220 -16.172 -1.277 634 1HG LYS 82 2HG LYS 82 -12.955 -17.372 0.069 635 2HG LYS 82 1HG LYS 82 -14.057 -16.071 -0.357 636 1HD LYS 82 2HD LYS 82 -13.677 -16.519 -2.668 637 2HD LYS 82 1HD LYS 82 -12.630 -17.877 -2.272 638 1HE LYS 82 2HE LYS 82 -15.567 -17.635 -1.559 639 2HE LYS 82 1HE LYS 82 -14.880 -18.733 -2.747 640 1HZ LYS 82 1HZ LYS 82 -14.370 -18.795 0.183 641 2HZ LYS 82 2HZ LYS 82 -13.654 -19.817 -0.960 642 3HZ LYS 82 3HZ LYS 82 -15.310 -19.891 -0.698 643 H THR 83 H THR 83 -9.258 -15.985 0.286 644 HA THR 83 HA THR 83 -7.992 -13.427 0.835 645 HB THR 83 HB THR 83 -6.775 -16.172 0.427 646 HG1 THR 83 1HG THR 83 -6.543 -15.414 2.917 647 1HG2 THR 83 1HG2 THR 83 -4.805 -15.180 1.514 648 2HG2 THR 83 2HG2 THR 83 -5.633 -13.628 1.619 649 3HG2 THR 83 3HG2 THR 83 -5.214 -14.299 0.044 650 H THR 84 H THR 84 -7.469 -12.156 -0.706 651 HA THR 84 HA THR 84 -6.629 -13.332 -3.245 652 HB THR 84 HB THR 84 -8.339 -10.851 -2.951 653 HG1 THR 84 1HG THR 84 -9.069 -13.250 -2.768 654 1HG2 THR 84 1HG2 THR 84 -7.383 -12.315 -5.427 655 2HG2 THR 84 2HG2 THR 84 -6.814 -10.733 -4.894 656 3HG2 THR 84 3HG2 THR 84 -8.492 -10.948 -5.407 657 H VAL 85 H VAL 85 -4.812 -12.496 -4.087 658 HA VAL 85 HA VAL 85 -3.552 -10.288 -2.645 659 HB VAL 85 HB VAL 85 -2.266 -12.338 -2.464 660 1HG1 VAL 85 1HG1 VAL 85 -3.097 -13.529 -4.377 661 2HG1 VAL 85 2HG1 VAL 85 -1.330 -13.455 -4.464 662 3HG1 VAL 85 3HG1 VAL 85 -2.325 -12.380 -5.459 663 1HG2 VAL 85 1HG2 VAL 85 -0.973 -10.283 -2.674 664 2HG2 VAL 85 2HG2 VAL 85 -0.972 -10.458 -4.430 665 3HG2 VAL 85 3HG2 VAL 85 -0.130 -11.638 -3.426 666 H MET 86 H MET 86 -2.683 -8.553 -3.737 667 HA MET 86 HA MET 86 -3.013 -8.439 -6.643 668 1HB MET 86 2HB MET 86 -3.877 -6.329 -4.675 669 2HB MET 86 1HB MET 86 -3.767 -6.105 -6.412 670 1HG MET 86 2HG MET 86 -5.465 -7.773 -6.744 671 2HG MET 86 1HG MET 86 -5.583 -8.040 -5.011 672 1HE MET 86 1HE MET 86 -6.195 -5.575 -7.967 673 2HE MET 86 2HE MET 86 -5.118 -4.576 -6.974 674 3HE MET 86 3HE MET 86 -6.828 -4.158 -7.148 675 H HIS 87 H HIS 87 -1.674 -6.917 -7.615 676 HA HIS 87 HA HIS 87 0.658 -6.215 -5.960 677 1HB HIS 87 2HB HIS 87 0.545 -6.388 -9.008 678 2HB HIS 87 1HB HIS 87 1.915 -6.005 -7.946 679 HD1 HIS 87 1HD HIS 87 3.359 -7.931 -7.244 680 HD2 HIS 87 2HD HIS 87 -0.262 -9.249 -8.819 681 HE1 HIS 87 1HE HIS 87 3.546 -10.406 -7.469 682 HE2 HIS 87 2HE HIS 87 1.494 -11.070 -8.708 683 H LEU 88 H LEU 88 0.939 -4.045 -5.571 684 HA LEU 88 HA LEU 88 -0.740 -2.287 -7.194 685 1HB LEU 88 2HB LEU 88 -0.039 -2.070 -4.271 686 2HB LEU 88 1HB LEU 88 -0.786 -0.787 -5.191 687 HG LEU 88 HG LEU 88 -2.437 -1.878 -3.846 688 1HD1 LEU 88 1HD1 LEU 88 -3.194 -1.084 -5.985 689 2HD1 LEU 88 2HD1 LEU 88 -4.074 -2.532 -5.506 690 3HD1 LEU 88 3HD1 LEU 88 -2.808 -2.640 -6.725 691 1HD2 LEU 88 1HD2 LEU 88 -1.388 -4.041 -3.538 692 2HD2 LEU 88 2HD2 LEU 88 -1.667 -4.437 -5.232 693 3HD2 LEU 88 3HD2 LEU 88 -3.036 -4.240 -4.138 694 H VAL 89 H VAL 89 0.075 -0.412 -7.897 695 HA VAL 89 HA VAL 89 2.885 0.029 -7.286 696 HB VAL 89 HB VAL 89 3.120 1.070 -9.551 697 1HG1 VAL 89 1HG1 VAL 89 3.696 -1.309 -9.317 698 2HG1 VAL 89 2HG1 VAL 89 2.988 -0.963 -10.908 699 3HG1 VAL 89 3HG1 VAL 89 2.013 -1.727 -9.674 700 1HG2 VAL 89 1HG2 VAL 89 1.399 0.794 -11.238 701 2HG2 VAL 89 2HG2 VAL 89 0.754 1.717 -9.871 702 3HG2 VAL 89 3HG2 VAL 89 0.357 0.002 -10.063 703 H ALA 90 H ALA 90 3.365 2.009 -6.499 704 HA ALA 90 HA ALA 90 1.332 4.067 -6.701 705 1HB ALA 90 1HB ALA 90 1.583 4.674 -4.384 706 2HB ALA 90 2HB ALA 90 2.737 3.359 -4.123 707 3HB ALA 90 3HB ALA 90 1.046 2.996 -4.500 708 H ARG 91 H ARG 91 2.101 6.099 -6.816 709 HA ARG 91 HA ARG 91 4.999 6.479 -6.870 710 1HB ARG 91 2HB ARG 91 3.043 7.198 -9.083 711 2HB ARG 91 1HB ARG 91 4.728 7.683 -9.031 712 1HG ARG 91 2HG ARG 91 5.459 5.407 -9.244 713 2HG ARG 91 1HG ARG 91 3.802 4.819 -9.095 714 1HD ARG 91 2HD ARG 91 4.540 4.797 -11.419 715 2HD ARG 91 1HD ARG 91 3.222 5.940 -11.174 716 HE ARG 91 HE ARG 91 5.607 7.339 -10.911 717 1HH1 ARG 91 1HH1 ARG 91 3.796 5.656 -13.416 718 2HH1 ARG 91 2HH1 ARG 91 4.431 6.573 -14.698 719 1HH2 ARG 91 1HH2 ARG 91 6.460 8.615 -12.628 720 2HH2 ARG 91 2HH2 ARG 91 5.974 8.322 -14.242 721 H GLU 92 H GLU 92 5.551 8.651 -6.402 722 HA GLU 92 HA GLU 92 5.347 10.705 -5.419 723 1HB GLU 92 2HB GLU 92 2.964 10.759 -7.278 724 2HB GLU 92 1HB GLU 92 3.672 12.181 -6.519 725 1HG GLU 92 2HG GLU 92 5.741 11.862 -7.676 726 2HG GLU 92 1HG GLU 92 5.204 10.311 -8.303 727 H THR 93 H THR 93 4.183 8.546 -4.007 728 HA THR 93 HA THR 93 1.566 9.155 -3.048 729 HB THR 93 HB THR 93 3.598 7.150 -2.018 730 HG1 THR 93 1HG THR 93 2.363 7.415 -4.395 731 1HG2 THR 93 1HG2 THR 93 1.550 7.438 -0.612 732 2HG2 THR 93 2HG2 THR 93 1.618 5.851 -1.375 733 3HG2 THR 93 3HG2 THR 93 0.563 7.101 -2.035 734 H LEU 94 H LEU 94 4.008 10.977 -2.522 735 HA LEU 94 HA LEU 94 3.906 10.986 0.359 736 1HB LEU 94 2HB LEU 94 5.987 12.126 -1.503 737 2HB LEU 94 1HB LEU 94 5.948 12.490 0.205 738 HG LEU 94 HG LEU 94 6.265 10.023 0.646 739 1HD1 LEU 94 1HD1 LEU 94 6.852 9.883 -2.301 740 2HD1 LEU 94 2HD1 LEU 94 5.493 9.129 -1.468 741 3HD1 LEU 94 3HD1 LEU 94 7.139 8.609 -1.113 742 1HD2 LEU 94 1HD2 LEU 94 8.411 11.417 -0.934 743 2HD2 LEU 94 2HD2 LEU 94 8.654 10.045 0.152 744 3HD2 LEU 94 3HD2 LEU 94 8.103 11.594 0.795 745 HA PRO 95 HA PRO 95 1.514 14.792 0.059 746 1HB PRO 95 2HB PRO 95 2.231 15.254 2.854 747 2HB PRO 95 1HB PRO 95 0.649 14.901 2.162 748 1HG PRO 95 2HG PRO 95 1.976 13.120 3.706 749 2HG PRO 95 1HG PRO 95 0.918 12.621 2.377 750 1HD PRO 95 2HD PRO 95 3.914 12.780 2.445 751 2HD PRO 95 1HD PRO 95 2.826 11.555 1.750 752 H GLU 96 H GLU 96 4.761 14.560 0.381 753 HA GLU 96 HA GLU 96 5.185 17.267 -0.295 754 1HB GLU 96 2HB GLU 96 5.177 17.301 2.250 755 2HB GLU 96 1HB GLU 96 6.494 16.154 2.232 756 1HG GLU 96 2HG GLU 96 6.862 18.771 0.834 757 2HG GLU 96 1HG GLU 96 6.858 18.749 2.577 758 HA PRO 97 HA PRO 97 7.865 15.513 -3.319 759 1HB PRO 97 2HB PRO 97 10.177 16.825 -2.111 760 2HB PRO 97 1HB PRO 97 9.436 17.068 -3.695 761 1HG PRO 97 2HG PRO 97 8.986 18.524 -1.193 762 2HG PRO 97 1HG PRO 97 8.541 18.999 -2.841 763 1HD PRO 97 2HD PRO 97 6.684 18.350 -1.033 764 2HD PRO 97 1HD PRO 97 6.499 17.864 -2.726 765 H ASN 98 H ASN 98 9.647 15.634 -0.246 766 HA ASN 98 HA ASN 98 10.006 12.731 -0.336 767 1HB ASN 98 2HB ASN 98 11.790 13.645 -1.869 768 2HB ASN 98 1HB ASN 98 12.456 14.511 -0.492 769 1HD2 ASN 98 1HD2 ASN 98 14.393 13.461 -0.549 770 2HD2 ASN 98 2HD2 ASN 98 14.609 11.802 -0.134 771 H SER 99 H SER 99 9.141 15.185 1.351 772 HA SER 99 HA SER 99 9.078 15.857 3.466 773 1HB SER 99 2HB SER 99 10.547 13.261 4.093 774 2HB SER 99 1HB SER 99 9.731 14.287 5.279 775 HG SER 99 HG SER 99 8.508 13.052 3.055 776 H GLN 100 H GLN 100 10.939 16.687 1.723 777 HA GLN 100 HA GLN 100 13.613 16.741 2.699 778 1HB GLN 100 2HB GLN 100 13.920 18.565 1.003 779 2HB GLN 100 1HB GLN 100 13.304 17.068 0.347 780 1HG GLN 100 2HG GLN 100 11.044 18.029 0.323 781 2HG GLN 100 1HG GLN 100 11.696 19.537 0.944 782 1HE2 GLN 100 1HE2 GLN 100 10.970 20.629 -0.857 783 2HE2 GLN 100 2HE2 GLN 100 11.754 20.549 -2.387 784 H GLY 101 H GLY 101 10.792 18.674 3.199 785 1HA GLY 101 2HA GLY 101 10.677 19.955 5.232 786 2HA GLY 101 1HA GLY 101 12.387 20.337 5.024 787 H GLN 102 H GLN 102 12.111 20.761 2.154 788 HA GLN 102 HA GLN 102 11.075 23.459 2.348 789 1HB GLN 102 2HB GLN 102 12.357 22.071 -0.025 790 2HB GLN 102 1HB GLN 102 11.825 23.734 -0.020 791 1HG GLN 102 2HG GLN 102 14.108 23.889 0.253 792 2HG GLN 102 1HG GLN 102 13.504 24.055 1.895 793 1HE2 GLN 102 1HE2 GLN 102 16.112 23.313 0.939 794 2HE2 GLN 102 2HE2 GLN 102 16.472 21.747 1.570 795 H ARG 103 H ARG 103 9.007 23.706 2.194 796 HA ARG 103 HA ARG 103 7.573 23.174 -0.103 797 1HB ARG 103 2HB ARG 103 7.470 20.852 0.533 798 2HB ARG 103 1HB ARG 103 6.976 21.267 2.170 799 1HG ARG 103 2HG ARG 103 5.084 20.444 0.837 800 2HG ARG 103 1HG ARG 103 4.842 22.117 1.330 801 1HD ARG 103 2HD ARG 103 5.699 22.810 -0.919 802 2HD ARG 103 1HD ARG 103 5.703 21.107 -1.376 803 HE ARG 103 HE ARG 103 3.185 21.509 -0.495 804 1HH1 ARG 103 1HH1 ARG 103 5.209 23.063 -2.959 805 2HH1 ARG 103 2HH1 ARG 103 3.897 23.660 -3.863 806 1HH2 ARG 103 1HH2 ARG 103 1.381 22.392 -1.742 807 2HH2 ARG 103 2HH2 ARG 103 1.697 23.280 -3.171 808 H ASN 104 H ASN 104 6.773 25.166 0.016 809 HA ASN 104 HA ASN 104 5.305 25.775 2.428 810 1HB ASN 104 2HB ASN 104 5.057 28.089 1.570 811 2HB ASN 104 1HB ASN 104 6.742 27.627 1.636 812 1HD2 ASN 104 1HD2 ASN 104 5.373 29.697 0.152 813 2HD2 ASN 104 2HD2 ASN 104 5.758 29.431 -1.514 814 H ARG 105 H ARG 105 3.177 25.901 2.478 815 HA ARG 105 HA ARG 105 1.682 24.270 0.738 816 1HB ARG 105 2HB ARG 105 1.191 24.983 3.165 817 2HB ARG 105 1HB ARG 105 0.576 26.480 2.494 818 1HG ARG 105 2HG ARG 105 -0.540 23.764 1.828 819 2HG ARG 105 1HG ARG 105 -1.132 24.756 3.145 820 1HD ARG 105 2HD ARG 105 -1.840 26.454 1.598 821 2HD ARG 105 1HD ARG 105 -1.116 25.559 0.236 822 HE ARG 105 HE ARG 105 -2.757 23.769 1.293 823 1HH1 ARG 105 1HH1 ARG 105 -3.455 27.172 0.331 824 2HH1 ARG 105 2HH1 ARG 105 -5.055 26.798 -0.034 825 1HH2 ARG 105 1HH2 ARG 105 -4.940 23.376 0.727 826 2HH2 ARG 105 2HH2 ARG 105 -5.942 24.630 0.158 827 H GLU 106 H GLU 106 1.796 27.747 1.130 828 HA GLU 106 HA GLU 106 1.749 28.275 -1.671 829 1HB GLU 106 2HB GLU 106 -0.392 29.349 0.169 830 2HB GLU 106 1HB GLU 106 -0.064 30.011 -1.424 831 1HG GLU 106 2HG GLU 106 -0.738 27.783 -2.345 832 2HG GLU 106 1HG GLU 106 -1.203 27.328 -0.705 833 H LYS 107 H LYS 107 2.141 30.675 -1.867 834 HA LYS 107 HA LYS 107 4.084 31.435 0.041 835 1HB LYS 107 2HB LYS 107 4.173 33.593 -1.231 836 2HB LYS 107 1HB LYS 107 4.359 32.172 -2.244 837 1HG LYS 107 2HG LYS 107 1.986 32.372 -2.885 838 2HG LYS 107 1HG LYS 107 1.879 33.843 -1.918 839 1HD LYS 107 2HD LYS 107 3.605 34.870 -3.329 840 2HD LYS 107 1HD LYS 107 3.678 33.394 -4.292 841 1HE LYS 107 2HE LYS 107 1.265 35.166 -3.934 842 2HE LYS 107 1HE LYS 107 2.277 35.076 -5.371 843 1HZ LYS 107 1HZ LYS 107 0.682 32.823 -4.266 844 2HZ LYS 107 2HZ LYS 107 1.577 32.775 -5.688 845 3HZ LYS 107 3HZ LYS 107 0.224 33.776 -5.559 846 H THR 108 H THR 108 3.447 31.741 2.049 847 HA THR 108 HA THR 108 2.463 32.623 3.910 848 HB THR 108 HB THR 108 1.365 34.741 2.093 849 HG1 THR 108 1HG THR 108 3.781 35.195 3.447 850 1HG2 THR 108 1HG2 THR 108 0.576 34.860 4.404 851 2HG2 THR 108 2HG2 THR 108 1.658 36.218 4.091 852 3HG2 THR 108 3HG2 THR 108 2.234 34.818 4.995 853 H GLY 109 H GLY 109 1.138 30.632 2.318 854 1HA GLY 109 2HA GLY 109 -1.652 31.440 2.762 855 2HA GLY 109 1HA GLY 109 -1.220 30.541 1.336 856 H GLU 110 H GLU 110 0.205 29.633 4.446 857 HA GLU 110 HA GLU 110 -1.570 27.360 4.305 858 1HB GLU 110 2HB GLU 110 -0.212 26.300 6.129 859 2HB GLU 110 1HB GLU 110 0.675 26.610 4.657 860 1HG GLU 110 2HG GLU 110 1.754 28.518 5.708 861 2HG GLU 110 1HG GLU 110 0.807 28.250 7.176 862 H SER 111 H SER 111 -3.386 28.010 4.778 863 HA SER 111 HA SER 111 -5.190 28.687 5.880 864 1HB SER 111 2HB SER 111 -3.500 28.320 8.363 865 2HB SER 111 1HB SER 111 -5.214 28.737 8.404 866 HG SER 111 HG SER 111 -4.009 26.332 7.958 867 H ASN 112 H ASN 112 -5.394 30.562 4.995 868 HA ASN 112 HA ASN 112 -3.960 32.920 5.822 869 1HB ASN 112 2HB ASN 112 -4.689 32.664 3.494 870 2HB ASN 112 1HB ASN 112 -6.366 32.551 4.015 871 1HD2 ASN 112 1HD2 ASN 112 -7.045 34.315 2.832 872 2HD2 ASN 112 2HD2 ASN 112 -6.596 35.932 3.202 873 H CYS 113 H CYS 113 -6.981 31.347 6.422 874 HA CYS 113 HA CYS 113 -8.796 31.748 7.627 875 1HB CYS 113 2HB CYS 113 -7.008 33.624 9.218 876 2HB CYS 113 1HB CYS 113 -8.594 33.055 9.731 877 HG CYS 113 HG CYS 113 -6.716 31.715 11.209 878 H CYS 114 H CYS 114 -9.867 32.543 5.971 879 HA CYS 114 HA CYS 114 -9.482 35.198 5.070 880 1HB CYS 114 2HB CYS 114 -11.490 33.111 4.246 881 2HB CYS 114 1HB CYS 114 -11.120 34.592 3.368 882 HG CYS 114 HG CYS 114 -9.772 31.705 3.021 883 H VAL 115 H VAL 115 -10.332 36.854 6.008 884 HA VAL 115 HA VAL 115 -12.785 36.547 7.484 885 HB VAL 115 HB VAL 115 -11.026 37.710 8.713 886 1HG1 VAL 115 1HG1 VAL 115 -10.979 39.746 6.507 887 2HG1 VAL 115 2HG1 VAL 115 -9.710 38.589 6.894 888 3HG1 VAL 115 3HG1 VAL 115 -10.111 39.874 8.036 889 1HG2 VAL 115 1HG2 VAL 115 -12.178 39.804 9.328 890 2HG2 VAL 115 2HG2 VAL 115 -13.284 38.440 9.202 891 3HG2 VAL 115 3HG2 VAL 115 -13.210 39.632 7.907 892 H ILE 116 H ILE 116 -14.149 36.245 5.856 893 HA ILE 116 HA ILE 116 -14.577 38.470 4.023 894 HB ILE 116 HB ILE 116 -14.299 36.365 2.857 895 1HG1 ILE 116 2HG1 ILE 116 -16.476 36.149 1.632 896 2HG1 ILE 116 1HG1 ILE 116 -17.198 37.205 2.840 897 1HG2 ILE 116 1HG2 ILE 116 -15.764 34.426 3.125 898 2HG2 ILE 116 2HG2 ILE 116 -16.520 35.211 4.509 899 3HG2 ILE 116 3HG2 ILE 116 -14.812 34.776 4.569 900 1HD1 ILE 116 1HD1 ILE 116 -14.940 37.937 0.995 901 2HD1 ILE 116 2HD1 ILE 116 -15.691 38.991 2.198 902 3HD1 ILE 116 3HD1 ILE 116 -16.629 38.417 0.820 903 H LEU 117 H LEU 117 -15.977 39.884 4.689 904 HA LEU 117 HA LEU 117 -18.114 39.031 6.491 905 1HB LEU 117 2HB LEU 117 -16.526 40.716 7.360 906 2HB LEU 117 1HB LEU 117 -16.929 41.768 6.022 907 HG LEU 117 HG LEU 117 -19.243 41.949 6.886 908 1HD1 LEU 117 1HD1 LEU 117 -19.735 41.160 9.147 909 2HD1 LEU 117 2HD1 LEU 117 -18.170 40.342 9.198 910 3HD1 LEU 117 3HD1 LEU 117 -19.399 39.831 8.039 911 1HD2 LEU 117 1HD2 LEU 117 -18.700 43.350 8.816 912 2HD2 LEU 117 2HD2 LEU 117 -17.575 43.621 7.485 913 3HD2 LEU 117 3HD2 LEU 117 -17.085 42.646 8.872 Start of MODEL 15 1 H SER 2 H SER 2 -15.334 -16.448 10.388 2 HA SER 2 HA SER 2 -15.556 -19.346 9.939 3 1HB SER 2 2HB SER 2 -14.116 -18.936 8.024 4 2HB SER 2 1HB SER 2 -15.500 -17.837 7.969 5 HG SER 2 HG SER 2 -13.931 -16.451 7.721 6 H SER 3 H SER 3 -12.835 -19.694 9.193 7 HA SER 3 HA SER 3 -11.605 -19.401 11.788 8 1HB SER 3 2HB SER 3 -11.826 -21.690 10.902 9 2HB SER 3 1HB SER 3 -10.854 -21.232 9.507 10 HG SER 3 HG SER 3 -9.279 -20.570 11.229 11 H ASN 4 H ASN 4 -11.654 -17.673 9.061 12 HA ASN 4 HA ASN 4 -9.105 -16.474 9.688 13 1HB ASN 4 2HB ASN 4 -8.384 -18.323 8.177 14 2HB ASN 4 1HB ASN 4 -9.366 -17.634 6.892 15 1HD2 ASN 4 1HD2 ASN 4 -8.616 -15.783 5.823 16 2HD2 ASN 4 2HD2 ASN 4 -7.014 -15.186 6.035 17 H VAL 5 H VAL 5 -11.183 -16.388 6.725 18 HA VAL 5 HA VAL 5 -11.161 -13.475 7.005 19 HB VAL 5 HB VAL 5 -12.385 -15.087 4.780 20 1HG1 VAL 5 1HG1 VAL 5 -12.070 -13.037 3.469 21 2HG1 VAL 5 2HG1 VAL 5 -11.433 -12.250 4.919 22 3HG1 VAL 5 3HG1 VAL 5 -13.105 -12.816 4.884 23 1HG2 VAL 5 1HG2 VAL 5 -9.547 -14.073 4.888 24 2HG2 VAL 5 2HG2 VAL 5 -10.363 -14.711 3.458 25 3HG2 VAL 5 3HG2 VAL 5 -10.084 -15.759 4.846 26 HA PRO 6 HA PRO 6 -14.968 -14.135 9.252 27 1HB PRO 6 2HB PRO 6 -15.762 -11.516 9.348 28 2HB PRO 6 1HB PRO 6 -14.594 -12.258 10.462 29 1HG PRO 6 2HG PRO 6 -14.163 -10.585 8.034 30 2HG PRO 6 1HG PRO 6 -13.278 -10.578 9.567 31 1HD PRO 6 2HD PRO 6 -12.285 -11.738 7.359 32 2HD PRO 6 1HD PRO 6 -11.988 -12.412 8.977 33 H ALA 7 H ALA 7 -15.164 -14.008 6.228 34 HA ALA 7 HA ALA 7 -16.772 -14.184 4.603 35 1HB ALA 7 1HB ALA 7 -17.761 -15.752 6.232 36 2HB ALA 7 2HB ALA 7 -18.976 -14.973 5.213 37 3HB ALA 7 3HB ALA 7 -18.739 -14.433 6.874 38 H ASP 8 H ASP 8 -17.529 -11.770 6.962 39 HA ASP 8 HA ASP 8 -19.284 -10.332 5.147 40 1HB ASP 8 2HB ASP 8 -19.754 -10.381 7.560 41 2HB ASP 8 1HB ASP 8 -18.201 -9.633 7.886 42 H MET 9 H MET 9 -16.037 -10.643 5.578 43 HA MET 9 HA MET 9 -15.456 -8.032 4.314 44 1HB MET 9 2HB MET 9 -13.703 -9.600 6.220 45 2HB MET 9 1HB MET 9 -13.273 -8.089 5.445 46 1HG MET 9 2HG MET 9 -15.585 -8.405 7.333 47 2HG MET 9 1HG MET 9 -13.960 -7.915 7.832 48 1HE MET 9 1HE MET 9 -13.529 -4.460 6.222 49 2HE MET 9 2HE MET 9 -12.981 -6.016 5.606 50 3HE MET 9 3HE MET 9 -12.871 -5.669 7.332 51 H ILE 10 H ILE 10 -13.797 -8.095 2.725 52 HA ILE 10 HA ILE 10 -13.143 -10.772 1.777 53 HB ILE 10 HB ILE 10 -12.395 -9.624 -0.364 54 1HG1 ILE 10 2HG1 ILE 10 -13.702 -7.358 -0.680 55 2HG1 ILE 10 1HG1 ILE 10 -13.407 -7.236 1.040 56 1HG2 ILE 10 1HG2 ILE 10 -15.273 -9.327 0.341 57 2HG2 ILE 10 2HG2 ILE 10 -14.460 -10.681 -0.504 58 3HG2 ILE 10 3HG2 ILE 10 -14.582 -9.088 -1.256 59 1HD1 ILE 10 1HD1 ILE 10 -10.973 -7.430 0.653 60 2HD1 ILE 10 2HD1 ILE 10 -11.702 -6.070 -0.248 61 3HD1 ILE 10 3HD1 ILE 10 -11.320 -7.557 -1.084 62 H ASN 11 H ASN 11 -10.954 -11.424 1.546 63 HA ASN 11 HA ASN 11 -9.248 -9.770 3.260 64 1HB ASN 11 2HB ASN 11 -9.746 -12.314 3.645 65 2HB ASN 11 1HB ASN 11 -8.614 -12.557 2.352 66 1HD2 ASN 11 1HD2 ASN 11 -6.932 -10.192 3.222 67 2HD2 ASN 11 2HD2 ASN 11 -6.122 -10.750 4.609 68 H LEU 12 H LEU 12 -7.681 -8.614 2.330 69 HA LEU 12 HA LEU 12 -6.895 -9.395 -0.369 70 1HB LEU 12 2HB LEU 12 -8.414 -7.606 -0.556 71 2HB LEU 12 1HB LEU 12 -7.651 -6.729 0.746 72 HG LEU 12 HG LEU 12 -5.695 -6.347 -0.672 73 1HD1 LEU 12 1HD1 LEU 12 -5.804 -6.749 -3.049 74 2HD1 LEU 12 2HD1 LEU 12 -7.271 -7.723 -2.830 75 3HD1 LEU 12 3HD1 LEU 12 -5.722 -8.204 -2.081 76 1HD2 LEU 12 1HD2 LEU 12 -8.326 -5.497 -1.809 77 2HD2 LEU 12 2HD2 LEU 12 -6.769 -4.744 -2.177 78 3HD2 LEU 12 3HD2 LEU 12 -7.414 -4.695 -0.530 79 H ARG 13 H ARG 13 -4.789 -9.508 -0.718 80 HA ARG 13 HA ARG 13 -3.027 -8.151 1.171 81 1HB ARG 13 2HB ARG 13 -2.627 -10.574 1.053 82 2HB ARG 13 1HB ARG 13 -2.379 -10.451 -0.685 83 1HG ARG 13 2HG ARG 13 -0.377 -9.240 -0.429 84 2HG ARG 13 1HG ARG 13 -0.704 -8.904 1.264 85 1HD ARG 13 2HD ARG 13 1.008 -10.595 1.081 86 2HD ARG 13 1HD ARG 13 -0.477 -11.235 1.769 87 HE ARG 13 HE ARG 13 -0.909 -12.065 -0.588 88 1HH1 ARG 13 1HH1 ARG 13 2.412 -11.781 0.757 89 2HH1 ARG 13 2HH1 ARG 13 2.977 -13.126 -0.075 90 1HH2 ARG 13 1HH2 ARG 13 -0.042 -13.959 -1.726 91 2HH2 ARG 13 2HH2 ARG 13 1.582 -14.397 -1.507 92 H LEU 14 H LEU 14 -2.133 -6.488 0.564 93 HA LEU 14 HA LEU 14 -2.105 -5.587 -2.214 94 1HB LEU 14 2HB LEU 14 -1.637 -3.984 0.418 95 2HB LEU 14 1HB LEU 14 -1.555 -3.327 -1.196 96 HG LEU 14 HG LEU 14 -3.513 -2.701 -0.090 97 1HD1 LEU 14 1HD1 LEU 14 -3.671 -2.901 -2.462 98 2HD1 LEU 14 2HD1 LEU 14 -5.211 -3.320 -1.711 99 3HD1 LEU 14 3HD1 LEU 14 -4.150 -4.593 -2.322 100 1HD2 LEU 14 1HD2 LEU 14 -3.960 -4.500 1.458 101 2HD2 LEU 14 2HD2 LEU 14 -4.136 -5.609 0.114 102 3HD2 LEU 14 3HD2 LEU 14 -5.333 -4.319 0.339 103 H ILE 15 H ILE 15 -0.191 -5.623 -3.376 104 HA ILE 15 HA ILE 15 2.243 -6.190 -1.837 105 HB ILE 15 HB ILE 15 2.076 -6.147 -4.848 106 1HG1 ILE 15 2HG1 ILE 15 0.399 -7.777 -3.981 107 2HG1 ILE 15 1HG1 ILE 15 1.693 -8.547 -4.897 108 1HG2 ILE 15 1HG2 ILE 15 4.058 -7.647 -4.648 109 2HG2 ILE 15 2HG2 ILE 15 3.953 -7.440 -2.894 110 3HG2 ILE 15 3HG2 ILE 15 4.309 -6.065 -3.900 111 1HD1 ILE 15 1HD1 ILE 15 1.434 -8.357 -1.949 112 2HD1 ILE 15 2HD1 ILE 15 2.678 -9.228 -2.909 113 3HD1 ILE 15 3HD1 ILE 15 0.984 -9.750 -2.961 114 H LEU 16 H LEU 16 3.490 -4.576 -1.397 115 HA LEU 16 HA LEU 16 3.197 -1.992 -2.641 116 1HB LEU 16 2HB LEU 16 5.125 -3.068 -0.571 117 2HB LEU 16 1HB LEU 16 5.188 -1.423 -1.134 118 HG LEU 16 HG LEU 16 2.911 -1.049 -0.160 119 1HD1 LEU 16 1HD1 LEU 16 3.265 -3.795 1.023 120 2HD1 LEU 16 2HD1 LEU 16 2.055 -3.326 -0.171 121 3HD1 LEU 16 3HD1 LEU 16 2.004 -2.637 1.452 122 1HD2 LEU 16 1HD2 LEU 16 3.658 -1.005 2.170 123 2HD2 LEU 16 2HD2 LEU 16 4.911 -0.426 1.072 124 3HD2 LEU 16 3HD2 LEU 16 5.013 -2.046 1.752 125 H VAL 17 H VAL 17 4.964 -0.882 -3.828 126 HA VAL 17 HA VAL 17 6.221 -2.647 -5.664 127 HB VAL 17 HB VAL 17 7.242 -0.675 -6.702 128 1HG1 VAL 17 1HG1 VAL 17 5.196 0.505 -7.346 129 2HG1 VAL 17 2HG1 VAL 17 4.354 -0.279 -6.005 130 3HG1 VAL 17 3HG1 VAL 17 4.988 -1.247 -7.334 131 1HG2 VAL 17 1HG2 VAL 17 6.821 1.579 -5.883 132 2HG2 VAL 17 2HG2 VAL 17 7.712 0.646 -4.671 133 3HG2 VAL 17 3HG2 VAL 17 5.976 0.927 -4.485 134 H SER 18 H SER 18 7.083 -1.526 -2.669 135 HA SER 18 HA SER 18 9.918 -1.686 -2.913 136 1HB SER 18 2HB SER 18 8.163 -1.942 -0.475 137 2HB SER 18 1HB SER 18 9.885 -1.544 -0.480 138 HG SER 18 HG SER 18 9.432 0.457 -1.192 139 H GLY 19 H GLY 19 7.434 -4.005 -2.943 140 1HA GLY 19 2HA GLY 19 7.737 -6.255 -3.339 141 2HA GLY 19 1HA GLY 19 9.344 -6.201 -2.669 142 H LYS 20 H LYS 20 7.174 -4.616 -0.726 143 HA LYS 20 HA LYS 20 7.150 -6.812 1.153 144 1HB LYS 20 2HB LYS 20 6.260 -3.927 1.372 145 2HB LYS 20 1HB LYS 20 5.900 -5.097 2.623 146 1HG LYS 20 2HG LYS 20 7.813 -3.704 3.210 147 2HG LYS 20 1HG LYS 20 8.287 -5.387 3.055 148 1HD LYS 20 2HD LYS 20 9.221 -4.906 0.836 149 2HD LYS 20 1HD LYS 20 8.694 -3.234 0.979 150 1HE LYS 20 2HE LYS 20 11.080 -3.495 1.482 151 2HE LYS 20 1HE LYS 20 10.179 -2.888 2.870 152 1HZ LYS 20 1HZ LYS 20 11.024 -5.714 2.457 153 2HZ LYS 20 2HZ LYS 20 10.245 -5.103 3.832 154 3HZ LYS 20 3HZ LYS 20 11.802 -4.592 3.438 155 H THR 21 H THR 21 5.368 -8.072 1.503 156 HA THR 21 HA THR 21 2.982 -7.256 0.035 157 HB THR 21 HB THR 21 2.303 -9.558 -0.042 158 HG1 THR 21 1HG THR 21 4.056 -9.840 2.103 159 1HG2 THR 21 1HG2 THR 21 4.025 -8.964 -1.647 160 2HG2 THR 21 2HG2 THR 21 4.145 -10.662 -1.196 161 3HG2 THR 21 3HG2 THR 21 5.281 -9.482 -0.525 162 H LYS 22 H LYS 22 1.199 -6.738 1.197 163 HA LYS 22 HA LYS 22 1.346 -7.293 4.098 164 1HB LYS 22 2HB LYS 22 2.132 -4.992 3.302 165 2HB LYS 22 1HB LYS 22 0.462 -4.679 2.877 166 1HG LYS 22 2HG LYS 22 -0.186 -4.837 5.187 167 2HG LYS 22 1HG LYS 22 1.451 -5.327 5.647 168 1HD LYS 22 2HD LYS 22 2.318 -3.199 4.729 169 2HD LYS 22 1HD LYS 22 0.662 -2.691 4.410 170 1HE LYS 22 2HE LYS 22 0.184 -2.811 6.822 171 2HE LYS 22 1HE LYS 22 1.845 -3.322 7.115 172 1HZ LYS 22 1HZ LYS 22 1.494 -0.931 7.484 173 2HZ LYS 22 2HZ LYS 22 1.083 -0.751 5.851 174 3HZ LYS 22 3HZ LYS 22 2.632 -1.237 6.278 175 H GLU 23 H GLU 23 -0.714 -7.734 5.050 176 HA GLU 23 HA GLU 23 -2.922 -7.867 3.141 177 1HB GLU 23 2HB GLU 23 -1.765 -10.035 3.028 178 2HB GLU 23 1HB GLU 23 -1.820 -10.133 4.770 179 1HG GLU 23 2HG GLU 23 -4.417 -9.994 3.437 180 2HG GLU 23 1HG GLU 23 -3.484 -11.454 3.151 181 H PHE 24 H PHE 24 -4.832 -7.381 3.875 182 HA PHE 24 HA PHE 24 -5.406 -7.413 6.719 183 1HB PHE 24 2HB PHE 24 -5.668 -4.937 5.020 184 2HB PHE 24 1HB PHE 24 -6.404 -5.132 6.594 185 HD1 PHE 24 1HD PHE 24 -4.879 -5.463 8.580 186 HD2 PHE 24 2HD PHE 24 -3.507 -4.172 4.775 187 HE1 PHE 24 1HE PHE 24 -2.865 -4.552 9.627 188 HE2 PHE 24 2HE PHE 24 -1.493 -3.258 5.803 189 HZ PHE 24 HZ PHE 24 -1.159 -3.447 8.248 190 H LEU 25 H LEU 25 -7.645 -7.161 7.138 191 HA LEU 25 HA LEU 25 -9.376 -8.232 5.094 192 1HB LEU 25 2HB LEU 25 -9.989 -7.119 7.831 193 2HB LEU 25 1HB LEU 25 -11.098 -8.014 6.817 194 HG LEU 25 HG LEU 25 -8.586 -9.129 8.061 195 1HD1 LEU 25 1HD1 LEU 25 -10.271 -8.622 9.719 196 2HD1 LEU 25 2HD1 LEU 25 -10.153 -10.373 9.492 197 3HD1 LEU 25 3HD1 LEU 25 -11.487 -9.467 8.766 198 1HD2 LEU 25 1HD2 LEU 25 -10.804 -10.449 6.501 199 2HD2 LEU 25 2HD2 LEU 25 -9.494 -11.296 7.326 200 3HD2 LEU 25 3HD2 LEU 25 -9.139 -10.238 5.961 201 H PHE 26 H PHE 26 -10.477 -6.950 3.691 202 HA PHE 26 HA PHE 26 -11.022 -4.212 4.509 203 1HB PHE 26 2HB PHE 26 -9.934 -5.094 1.826 204 2HB PHE 26 1HB PHE 26 -10.740 -3.551 2.050 205 HD1 PHE 26 1HD PHE 26 -9.721 -1.874 3.637 206 HD2 PHE 26 2HD PHE 26 -7.602 -5.370 2.384 207 HE1 PHE 26 1HE PHE 26 -7.588 -0.846 4.306 208 HE2 PHE 26 2HE PHE 26 -5.518 -4.351 3.047 209 HZ PHE 26 HZ PHE 26 -5.469 -2.097 3.996 210 H SER 27 H SER 27 -12.766 -3.248 3.128 211 HA SER 27 HA SER 27 -14.822 -5.253 3.023 212 1HB SER 27 2HB SER 27 -15.003 -2.229 2.798 213 2HB SER 27 1HB SER 27 -16.367 -3.338 2.984 214 HG SER 27 HG SER 27 -14.239 -2.958 4.791 215 HA PRO 28 HA PRO 28 -14.470 -5.463 -1.417 216 1HB PRO 28 2HB PRO 28 -17.086 -5.999 -2.118 217 2HB PRO 28 1HB PRO 28 -15.952 -7.179 -1.429 218 1HG PRO 28 2HG PRO 28 -18.052 -5.576 -0.019 219 2HG PRO 28 1HG PRO 28 -17.675 -7.304 0.121 220 1HD PRO 28 2HD PRO 28 -16.801 -5.544 1.934 221 2HD PRO 28 1HD PRO 28 -15.790 -6.910 1.413 222 H ASN 29 H ASN 29 -16.310 -3.139 0.110 223 HA ASN 29 HA ASN 29 -17.170 -1.623 -2.200 224 1HB ASN 29 2HB ASN 29 -18.533 -1.656 -0.161 225 2HB ASN 29 1HB ASN 29 -17.196 -1.010 0.768 226 1HD2 ASN 29 1HD2 ASN 29 -16.786 1.181 0.686 227 2HD2 ASN 29 2HD2 ASN 29 -17.841 2.315 -0.058 228 H ASP 30 H ASP 30 -14.304 -1.885 -0.320 229 HA ASP 30 HA ASP 30 -13.393 0.795 -0.587 230 1HB ASP 30 2HB ASP 30 -11.947 -1.724 0.221 231 2HB ASP 30 1HB ASP 30 -11.111 -0.188 0.057 232 H SER 31 H SER 31 -11.576 1.544 -1.707 233 HA SER 31 HA SER 31 -11.585 0.577 -4.445 234 1HB SER 31 2HB SER 31 -10.473 3.116 -3.236 235 2HB SER 31 1HB SER 31 -10.704 2.771 -4.949 236 HG SER 31 HG SER 31 -12.580 3.345 -2.961 237 H ALA 32 H ALA 32 -9.888 -0.577 -5.157 238 HA ALA 32 HA ALA 32 -7.809 -1.633 -3.644 239 1HB ALA 32 1HB ALA 32 -8.607 -2.499 -5.793 240 2HB ALA 32 2HB ALA 32 -6.843 -2.285 -5.789 241 3HB ALA 32 3HB ALA 32 -7.889 -1.095 -6.569 242 H SER 33 H SER 33 -7.432 1.150 -5.944 243 HA SER 33 HA SER 33 -4.676 1.397 -5.341 244 1HB SER 33 2HB SER 33 -6.360 3.634 -6.533 245 2HB SER 33 1HB SER 33 -4.673 3.249 -6.771 246 HG SER 33 HG SER 33 -6.064 2.623 -8.459 247 H ASP 34 H ASP 34 -7.564 2.728 -3.926 248 HA ASP 34 HA ASP 34 -6.392 4.791 -2.343 249 1HB ASP 34 2HB ASP 34 -8.832 4.697 -2.721 250 2HB ASP 34 1HB ASP 34 -8.881 3.123 -1.950 251 H ILE 35 H ILE 35 -7.286 1.451 -1.794 252 HA ILE 35 HA ILE 35 -6.346 1.129 0.818 253 HB ILE 35 HB ILE 35 -6.448 -0.908 -1.415 254 1HG1 ILE 35 2HG1 ILE 35 -8.456 -0.302 0.756 255 2HG1 ILE 35 1HG1 ILE 35 -8.636 0.098 -0.952 256 1HG2 ILE 35 1HG2 ILE 35 -6.480 -2.557 0.370 257 2HG2 ILE 35 2HG2 ILE 35 -6.323 -1.267 1.559 258 3HG2 ILE 35 3HG2 ILE 35 -5.011 -1.577 0.417 259 1HD1 ILE 35 1HD1 ILE 35 -8.411 -2.657 0.209 260 2HD1 ILE 35 2HD1 ILE 35 -8.520 -2.279 -1.495 261 3HD1 ILE 35 3HD1 ILE 35 -9.882 -1.900 -0.418 262 H ALA 36 H ALA 36 -4.724 0.638 -2.303 263 HA ALA 36 HA ALA 36 -2.270 -0.332 -1.604 264 1HB ALA 36 1HB ALA 36 -1.427 0.715 -3.601 265 2HB ALA 36 2HB ALA 36 -2.760 1.860 -3.582 266 3HB ALA 36 3HB ALA 36 -3.085 0.163 -3.907 267 H LYS 37 H LYS 37 -3.245 3.033 -1.705 268 HA LYS 37 HA LYS 37 -0.723 4.049 -0.863 269 1HB LYS 37 2HB LYS 37 -2.895 5.051 -2.145 270 2HB LYS 37 1HB LYS 37 -3.205 5.659 -0.537 271 1HG LYS 37 2HG LYS 37 -0.678 6.155 -2.104 272 2HG LYS 37 1HG LYS 37 -2.046 7.252 -2.027 273 1HD LYS 37 2HD LYS 37 -1.691 7.534 0.360 274 2HD LYS 37 1HD LYS 37 -0.368 6.363 0.317 275 1HE LYS 37 2HE LYS 37 0.448 8.690 0.275 276 2HE LYS 37 1HE LYS 37 0.891 7.799 -1.183 277 1HZ LYS 37 1HZ LYS 37 -1.305 9.799 -0.909 278 2HZ LYS 37 2HZ LYS 37 -1.089 8.847 -2.256 279 3HZ LYS 37 3HZ LYS 37 0.101 9.955 -1.841 280 H HIS 38 H HIS 38 -3.688 3.075 0.674 281 HA HIS 38 HA HIS 38 -3.258 4.160 3.272 282 1HB HIS 38 2HB HIS 38 -5.498 3.501 2.380 283 2HB HIS 38 1HB HIS 38 -4.999 1.821 2.434 284 HD1 HIS 38 1HD HIS 38 -6.784 4.290 4.324 285 HD2 HIS 38 2HD HIS 38 -4.488 0.958 5.233 286 HE1 HIS 38 1HE HIS 38 -7.383 3.694 6.701 287 HE2 HIS 38 2HE HIS 38 -5.842 1.788 7.290 288 H VAL 39 H VAL 39 -2.853 0.841 1.957 289 HA VAL 39 HA VAL 39 -1.825 -0.330 4.303 290 HB VAL 39 HB VAL 39 -1.007 -2.157 2.865 291 1HG1 VAL 39 1HG1 VAL 39 -3.270 -2.867 2.162 292 2HG1 VAL 39 2HG1 VAL 39 -3.850 -1.229 2.385 293 3HG1 VAL 39 3HG1 VAL 39 -3.277 -2.153 3.764 294 1HG2 VAL 39 1HG2 VAL 39 -1.587 -2.114 0.497 295 2HG2 VAL 39 2HG2 VAL 39 -0.466 -0.798 0.886 296 3HG2 VAL 39 3HG2 VAL 39 -2.199 -0.484 0.701 297 H TYR 40 H TYR 40 -0.285 1.412 1.730 298 HA TYR 40 HA TYR 40 2.381 0.735 2.151 299 1HB TYR 40 2HB TYR 40 1.585 2.114 0.265 300 2HB TYR 40 1HB TYR 40 1.219 3.421 1.376 301 HD1 TYR 40 1HD TYR 40 4.028 1.333 0.150 302 HD2 TYR 40 2HD TYR 40 2.842 5.073 1.781 303 HE1 TYR 40 1HE TYR 40 6.298 2.210 -0.211 304 HE2 TYR 40 2HE TYR 40 5.113 5.954 1.424 305 HH TYR 40 HH TYR 40 7.350 4.304 -0.521 306 H ASP 41 H ASP 41 0.490 3.385 3.611 307 HA ASP 41 HA ASP 41 1.171 3.088 6.221 308 1HB ASP 41 2HB ASP 41 3.548 3.522 5.699 309 2HB ASP 41 1HB ASP 41 3.112 5.053 4.952 310 H ASN 42 H ASN 42 1.545 6.054 4.361 311 HA ASN 42 HA ASN 42 -0.355 7.425 6.025 312 1HB ASN 42 2HB ASN 42 1.698 8.521 5.203 313 2HB ASN 42 1HB ASN 42 1.131 8.331 3.552 314 1HD2 ASN 42 1HD2 ASN 42 -0.893 9.287 6.303 315 2HD2 ASN 42 2HD2 ASN 42 -1.190 10.876 5.723 316 H TRP 43 H TRP 43 -2.472 7.238 5.689 317 HA TRP 43 HA TRP 43 -3.597 6.145 3.394 318 1HB TRP 43 2HB TRP 43 -5.801 6.881 4.317 319 2HB TRP 43 1HB TRP 43 -4.835 5.984 5.468 320 HD1 TRP 43 HD TRP 43 -3.708 7.480 7.480 321 HE1 TRP 43 1HE TRP 43 -4.544 9.643 8.586 322 HE3 TRP 43 3HE TRP 43 -7.037 8.997 3.905 323 HZ2 TRP 43 2HZ TRP 43 -6.379 11.714 8.030 324 HZ3 TRP 43 3HZ TRP 43 -8.293 11.077 4.272 325 HH2 TRP 43 HH TRP 43 -7.971 12.406 6.292 326 HA PRO 44 HA PRO 44 -3.649 9.338 0.483 327 1HB PRO 44 2HB PRO 44 -5.861 8.605 -0.969 328 2HB PRO 44 1HB PRO 44 -4.267 7.863 -1.130 329 1HG PRO 44 2HG PRO 44 -6.667 6.879 0.328 330 2HG PRO 44 1HG PRO 44 -5.441 5.972 -0.562 331 1HD PRO 44 2HD PRO 44 -5.528 6.145 2.147 332 2HD PRO 44 1HD PRO 44 -4.029 5.886 1.245 333 H MET 45 H MET 45 -4.330 11.289 0.319 334 HA MET 45 HA MET 45 -5.546 13.135 0.253 335 1HB MET 45 2HB MET 45 -7.577 11.803 -0.361 336 2HB MET 45 1HB MET 45 -7.937 11.616 1.347 337 1HG MET 45 2HG MET 45 -8.242 14.044 1.542 338 2HG MET 45 1HG MET 45 -7.841 14.229 -0.162 339 1HE MET 45 1HE MET 45 -10.015 11.391 1.524 340 2HE MET 45 2HE MET 45 -11.630 12.082 1.398 341 3HE MET 45 3HE MET 45 -10.423 12.841 2.439 342 H ASP 46 H ASP 46 -4.283 11.717 2.678 343 HA ASP 46 HA ASP 46 -5.183 13.382 4.830 344 1HB ASP 46 2HB ASP 46 -4.049 11.260 5.351 345 2HB ASP 46 1HB ASP 46 -2.598 11.798 4.528 346 H TRP 47 H TRP 47 -1.769 13.439 3.859 347 HA TRP 47 HA TRP 47 -1.601 15.708 2.349 348 1HB TRP 47 2HB TRP 47 -2.533 16.842 4.495 349 2HB TRP 47 1HB TRP 47 -1.012 16.409 5.262 350 HD1 TRP 47 HD TRP 47 -1.617 17.921 1.776 351 HE1 TRP 47 1HE TRP 47 -0.284 20.101 1.565 352 HE3 TRP 47 3HE TRP 47 0.257 18.146 6.509 353 HZ2 TRP 47 2HZ TRP 47 1.327 21.721 3.205 354 HZ3 TRP 47 3HZ TRP 47 1.680 20.062 7.110 355 HH2 TRP 47 HH TRP 47 2.201 21.805 5.487 356 H GLU 48 H GLU 48 0.814 16.572 2.512 357 HA GLU 48 HA GLU 48 3.003 16.039 2.301 358 1HB GLU 48 2HB GLU 48 2.386 14.395 4.761 359 2HB GLU 48 1HB GLU 48 4.013 14.664 4.156 360 1HG GLU 48 2HG GLU 48 2.126 16.838 5.025 361 2HG GLU 48 1HG GLU 48 3.403 16.146 6.027 362 H GLU 49 H GLU 49 0.925 14.337 1.040 363 HA GLU 49 HA GLU 49 2.037 11.711 0.808 364 1HB GLU 49 2HB GLU 49 0.110 13.186 -1.011 365 2HB GLU 49 1HB GLU 49 0.411 11.450 -1.018 366 1HG GLU 49 2HG GLU 49 -0.461 11.272 1.261 367 2HG GLU 49 1HG GLU 49 -0.753 13.009 1.285 368 H GLU 50 H GLU 50 2.446 14.709 -0.606 369 HA GLU 50 HA GLU 50 5.007 14.494 -1.149 370 1HB GLU 50 2HB GLU 50 5.141 14.835 -3.699 371 2HB GLU 50 1HB GLU 50 4.778 13.210 -3.205 372 1HG GLU 50 2HG GLU 50 3.502 13.558 -5.094 373 2HG GLU 50 1HG GLU 50 2.347 13.774 -3.790 374 H GLN 51 H GLN 51 2.233 16.105 -2.471 375 HA GLN 51 HA GLN 51 2.662 18.277 -0.591 376 1HB GLN 51 2HB GLN 51 3.652 18.868 -2.971 377 2HB GLN 51 1HB GLN 51 1.986 18.835 -3.512 378 1HG GLN 51 2HG GLN 51 3.105 20.697 -1.405 379 2HG GLN 51 1HG GLN 51 2.824 21.114 -3.085 380 1HE2 GLN 51 1HE2 GLN 51 0.704 21.490 -3.773 381 2HE2 GLN 51 2HE2 GLN 51 -0.582 21.724 -2.642 382 H VAL 52 H VAL 52 0.859 17.061 -3.350 383 HA VAL 52 HA VAL 52 -1.549 16.935 -1.695 384 HB VAL 52 HB VAL 52 -1.439 17.306 -4.716 385 1HG1 VAL 52 1HG1 VAL 52 -3.874 17.565 -4.585 386 2HG1 VAL 52 2HG1 VAL 52 -3.813 17.230 -2.856 387 3HG1 VAL 52 3HG1 VAL 52 -3.355 15.979 -4.013 388 1HG2 VAL 52 1HG2 VAL 52 -2.299 19.273 -2.590 389 2HG2 VAL 52 2HG2 VAL 52 -2.416 19.528 -4.331 390 3HG2 VAL 52 3HG2 VAL 52 -0.835 19.376 -3.565 391 H SER 53 H SER 53 -0.580 15.661 -4.843 392 HA SER 53 HA SER 53 0.189 13.126 -4.376 393 1HB SER 53 2HB SER 53 -2.831 13.287 -4.699 394 2HB SER 53 1HB SER 53 -1.913 11.843 -5.108 395 HG SER 53 HG SER 53 -1.818 13.093 -2.583 396 H SER 54 H SER 54 -0.263 11.785 -6.477 397 HA SER 54 HA SER 54 -0.446 13.640 -8.718 398 1HB SER 54 2HB SER 54 1.228 11.128 -8.498 399 2HB SER 54 1HB SER 54 1.219 12.290 -9.828 400 HG SER 54 HG SER 54 1.826 13.850 -8.057 401 HA PRO 55 HA PRO 55 -3.809 10.896 -9.605 402 1HB PRO 55 2HB PRO 55 -4.256 11.514 -12.113 403 2HB PRO 55 1HB PRO 55 -4.831 12.554 -10.777 404 1HG PRO 55 2HG PRO 55 -2.517 12.895 -12.659 405 2HG PRO 55 1HG PRO 55 -3.513 14.142 -11.894 406 1HD PRO 55 2HD PRO 55 -0.988 13.476 -11.047 407 2HD PRO 55 1HD PRO 55 -2.238 14.166 -9.999 408 H ASN 56 H ASN 56 -1.201 10.957 -12.034 409 HA ASN 56 HA ASN 56 -2.228 8.560 -13.271 410 1HB ASN 56 2HB ASN 56 0.279 10.142 -13.854 411 2HB ASN 56 1HB ASN 56 -0.152 8.667 -14.705 412 1HD2 ASN 56 1HD2 ASN 56 -0.939 12.030 -14.224 413 2HD2 ASN 56 2HD2 ASN 56 -2.029 12.145 -15.557 414 H ILE 57 H ILE 57 -0.607 8.946 -10.519 415 HA ILE 57 HA ILE 57 1.071 6.609 -10.838 416 HB ILE 57 HB ILE 57 1.993 7.166 -8.673 417 1HG1 ILE 57 2HG1 ILE 57 1.183 9.393 -7.555 418 2HG1 ILE 57 1HG1 ILE 57 -0.292 9.141 -8.482 419 1HG2 ILE 57 1HG2 ILE 57 2.812 8.439 -10.603 420 2HG2 ILE 57 2HG2 ILE 57 2.844 9.432 -9.138 421 3HG2 ILE 57 3HG2 ILE 57 1.551 9.642 -10.319 422 1HD1 ILE 57 1HD1 ILE 57 0.825 7.278 -6.364 423 2HD1 ILE 57 2HD1 ILE 57 -0.665 7.034 -7.270 424 3HD1 ILE 57 3HD1 ILE 57 -0.522 8.398 -6.162 425 H LEU 58 H LEU 58 -2.052 7.425 -9.896 426 HA LEU 58 HA LEU 58 -2.434 5.387 -7.864 427 1HB LEU 58 2HB LEU 58 -3.598 7.646 -7.972 428 2HB LEU 58 1HB LEU 58 -4.476 7.035 -9.355 429 HG LEU 58 HG LEU 58 -5.336 5.202 -7.855 430 1HD1 LEU 58 1HD1 LEU 58 -5.273 5.623 -5.446 431 2HD1 LEU 58 2HD1 LEU 58 -4.184 6.981 -5.709 432 3HD1 LEU 58 3HD1 LEU 58 -3.662 5.342 -6.102 433 1HD2 LEU 58 1HD2 LEU 58 -6.027 8.050 -7.161 434 2HD2 LEU 58 2HD2 LEU 58 -7.033 6.636 -6.836 435 3HD2 LEU 58 3HD2 LEU 58 -6.696 7.116 -8.498 436 H ARG 59 H ARG 59 -1.943 3.457 -8.901 437 HA ARG 59 HA ARG 59 -3.979 2.550 -10.761 438 1HB ARG 59 2HB ARG 59 -1.026 2.349 -11.254 439 2HB ARG 59 1HB ARG 59 -2.221 1.379 -12.107 440 1HG ARG 59 2HG ARG 59 -3.224 3.437 -13.006 441 2HG ARG 59 1HG ARG 59 -2.010 4.389 -12.155 442 1HD ARG 59 2HD ARG 59 -0.243 3.378 -13.465 443 2HD ARG 59 1HD ARG 59 -1.402 2.303 -14.249 444 HE ARG 59 HE ARG 59 -2.307 4.852 -14.679 445 1HH1 ARG 59 1HH1 ARG 59 0.631 3.056 -15.522 446 2HH1 ARG 59 2HH1 ARG 59 0.877 3.890 -16.985 447 1HH2 ARG 59 1HH2 ARG 59 -1.971 5.963 -16.717 448 2HH2 ARG 59 2HH2 ARG 59 -0.640 5.545 -17.682 449 H LEU 60 H LEU 60 -3.882 0.175 -11.074 450 HA LEU 60 HA LEU 60 -2.821 -1.221 -8.764 451 1HB LEU 60 2HB LEU 60 -5.021 -2.244 -8.342 452 2HB LEU 60 1HB LEU 60 -5.006 -0.518 -8.045 453 HG LEU 60 HG LEU 60 -5.964 -0.368 -10.457 454 1HD1 LEU 60 1HD1 LEU 60 -7.418 -2.194 -11.097 455 2HD1 LEU 60 2HD1 LEU 60 -6.763 -3.180 -9.787 456 3HD1 LEU 60 3HD1 LEU 60 -5.717 -2.658 -11.112 457 1HD2 LEU 60 1HD2 LEU 60 -7.096 0.220 -8.329 458 2HD2 LEU 60 2HD2 LEU 60 -7.813 -1.433 -8.378 459 3HD2 LEU 60 3HD2 LEU 60 -8.091 -0.282 -9.678 460 H ILE 61 H ILE 61 -2.600 -3.435 -9.104 461 HA ILE 61 HA ILE 61 -3.053 -4.374 -11.838 462 HB ILE 61 HB ILE 61 -0.792 -4.977 -9.933 463 1HG1 ILE 61 2HG1 ILE 61 -0.744 -3.669 -12.636 464 2HG1 ILE 61 1HG1 ILE 61 -0.713 -2.787 -11.117 465 1HG2 ILE 61 1HG2 ILE 61 -1.337 -6.072 -12.710 466 2HG2 ILE 61 2HG2 ILE 61 -1.398 -6.991 -11.205 467 3HG2 ILE 61 3HG2 ILE 61 0.136 -6.342 -11.786 468 1HD1 ILE 61 1HD1 ILE 61 1.509 -2.974 -12.072 469 2HD1 ILE 61 2HD1 ILE 61 1.364 -4.732 -12.135 470 3HD1 ILE 61 3HD1 ILE 61 1.425 -3.902 -10.575 471 H TYR 62 H TYR 62 -4.319 -6.113 -11.920 472 HA TYR 62 HA TYR 62 -4.923 -7.445 -9.385 473 1HB TYR 62 2HB TYR 62 -6.894 -6.528 -10.563 474 2HB TYR 62 1HB TYR 62 -6.471 -7.431 -12.001 475 HD1 TYR 62 1HD TYR 62 -6.581 -8.682 -8.466 476 HD2 TYR 62 2HD TYR 62 -8.387 -8.764 -12.323 477 HE1 TYR 62 1HE TYR 62 -8.092 -10.472 -7.722 478 HE2 TYR 62 2HE TYR 62 -9.921 -10.558 -11.571 479 HH TYR 62 HH TYR 62 -10.325 -11.353 -8.367 480 H GLN 63 H GLN 63 -2.852 -8.308 -9.537 481 HA GLN 63 HA GLN 63 -1.413 -9.761 -9.664 482 1HB GLN 63 2HB GLN 63 -3.354 -11.228 -9.150 483 2HB GLN 63 1HB GLN 63 -3.427 -11.607 -10.874 484 1HG GLN 63 2HG GLN 63 -1.109 -12.072 -10.750 485 2HG GLN 63 1HG GLN 63 -1.171 -12.013 -9.019 486 1HE2 GLN 63 1HE2 GLN 63 -2.169 -13.959 -11.728 487 2HE2 GLN 63 2HE2 GLN 63 -2.749 -15.295 -10.807 488 H GLY 64 H GLY 64 -3.260 -10.018 -12.658 489 1HA GLY 64 2HA GLY 64 -0.809 -10.507 -14.150 490 2HA GLY 64 1HA GLY 64 -2.444 -10.561 -14.790 491 H ARG 65 H ARG 65 -3.524 -8.182 -14.526 492 HA ARG 65 HA ARG 65 -1.536 -6.298 -15.576 493 1HB ARG 65 2HB ARG 65 -2.869 -5.633 -17.467 494 2HB ARG 65 1HB ARG 65 -2.691 -7.373 -17.526 495 1HG ARG 65 2HG ARG 65 -5.143 -5.926 -16.518 496 2HG ARG 65 1HG ARG 65 -4.952 -6.544 -18.155 497 1HD ARG 65 2HD ARG 65 -4.801 -8.790 -17.314 498 2HD ARG 65 1HD ARG 65 -4.858 -8.200 -15.648 499 HE ARG 65 HE ARG 65 -7.105 -7.256 -16.909 500 1HH1 ARG 65 1HH1 ARG 65 -5.734 -10.464 -16.287 501 2HH1 ARG 65 2HH1 ARG 65 -7.239 -11.190 -15.958 502 1HH2 ARG 65 1HH2 ARG 65 -9.231 -8.336 -16.465 503 2HH2 ARG 65 2HH2 ARG 65 -9.219 -9.974 -16.057 504 H PHE 66 H PHE 66 -2.642 -4.091 -16.002 505 HA PHE 66 HA PHE 66 -3.727 -3.174 -13.505 506 1HB PHE 66 2HB PHE 66 -3.250 -1.744 -16.131 507 2HB PHE 66 1HB PHE 66 -3.607 -0.961 -14.601 508 HD1 PHE 66 1HD PHE 66 -1.073 -2.946 -16.447 509 HD2 PHE 66 2HD PHE 66 -1.827 -0.429 -13.089 510 HE1 PHE 66 1HE PHE 66 1.338 -2.747 -16.060 511 HE2 PHE 66 2HE PHE 66 0.580 -0.235 -12.704 512 HZ PHE 66 HZ PHE 66 2.171 -1.389 -14.185 513 H LEU 67 H LEU 67 -5.867 -3.251 -13.149 514 HA LEU 67 HA LEU 67 -7.696 -3.730 -15.368 515 1HB LEU 67 2HB LEU 67 -8.387 -3.267 -12.485 516 2HB LEU 67 1HB LEU 67 -9.514 -3.718 -13.731 517 HG LEU 67 HG LEU 67 -7.286 -5.389 -12.609 518 1HD1 LEU 67 1HD1 LEU 67 -10.283 -5.674 -12.567 519 2HD1 LEU 67 2HD1 LEU 67 -9.267 -5.207 -11.215 520 3HD1 LEU 67 3HD1 LEU 67 -9.133 -6.817 -11.890 521 1HD2 LEU 67 1HD2 LEU 67 -8.084 -7.166 -14.079 522 2HD2 LEU 67 2HD2 LEU 67 -7.462 -5.805 -15.006 523 3HD2 LEU 67 3HD2 LEU 67 -9.208 -6.042 -14.836 524 H HIS 68 H HIS 68 -7.156 -1.094 -13.092 525 HA HIS 68 HA HIS 68 -8.157 0.930 -14.819 526 1HB HIS 68 2HB HIS 68 -10.250 -0.383 -13.950 527 2HB HIS 68 1HB HIS 68 -9.825 0.276 -12.383 528 HD1 HIS 68 1HD HIS 68 -11.472 1.118 -15.569 529 HD2 HIS 68 2HD HIS 68 -10.129 3.069 -12.189 530 HE1 HIS 68 1HE HIS 68 -12.594 3.357 -15.627 531 HE2 HIS 68 2HE HIS 68 -11.516 4.617 -13.724 532 H GLY 69 H GLY 69 -8.054 3.005 -13.462 533 1HA GLY 69 2HA GLY 69 -5.795 2.804 -11.732 534 2HA GLY 69 1HA GLY 69 -6.652 4.269 -12.178 535 H ASN 70 H ASN 70 -8.955 2.121 -11.048 536 HA ASN 70 HA ASN 70 -8.783 2.279 -8.299 537 1HB ASN 70 2HB ASN 70 -8.843 4.766 -8.682 538 2HB ASN 70 1HB ASN 70 -10.396 4.581 -9.472 539 1HD2 ASN 70 1HD2 ASN 70 -9.617 6.138 -7.136 540 2HD2 ASN 70 2HD2 ASN 70 -10.623 5.612 -5.843 541 H VAL 71 H VAL 71 -9.572 0.202 -9.135 542 HA VAL 71 HA VAL 71 -12.462 0.193 -9.486 543 HB VAL 71 HB VAL 71 -11.157 -0.966 -11.286 544 1HG1 VAL 71 1HG1 VAL 71 -9.279 -1.784 -10.050 545 2HG1 VAL 71 2HG1 VAL 71 -10.083 -3.086 -10.906 546 3HG1 VAL 71 3HG1 VAL 71 -10.333 -2.893 -9.163 547 1HG2 VAL 71 1HG2 VAL 71 -12.843 -2.820 -9.659 548 2HG2 VAL 71 2HG2 VAL 71 -12.400 -3.061 -11.353 549 3HG2 VAL 71 3HG2 VAL 71 -13.426 -1.700 -10.893 550 H THR 72 H THR 72 -13.740 -1.329 -8.132 551 HA THR 72 HA THR 72 -12.597 -1.466 -5.470 552 HB THR 72 HB THR 72 -14.889 -2.167 -4.801 553 HG1 THR 72 1HG THR 72 -16.279 -1.558 -6.943 554 1HG2 THR 72 1HG2 THR 72 -15.993 -0.027 -5.297 555 2HG2 THR 72 2HG2 THR 72 -14.791 0.302 -6.543 556 3HG2 THR 72 3HG2 THR 72 -14.306 0.219 -4.846 557 H LEU 73 H LEU 73 -12.905 -3.513 -4.140 558 HA LEU 73 HA LEU 73 -11.746 -5.678 -5.509 559 1HB LEU 73 2HB LEU 73 -13.025 -5.666 -2.790 560 2HB LEU 73 1HB LEU 73 -11.935 -6.881 -3.410 561 HG LEU 73 HG LEU 73 -10.611 -5.689 -2.017 562 1HD1 LEU 73 1HD1 LEU 73 -10.161 -4.427 -4.674 563 2HD1 LEU 73 2HD1 LEU 73 -9.456 -5.918 -4.051 564 3HD1 LEU 73 3HD1 LEU 73 -9.030 -4.363 -3.332 565 1HD2 LEU 73 1HD2 LEU 73 -11.776 -3.085 -2.985 566 2HD2 LEU 73 2HD2 LEU 73 -10.509 -3.277 -1.779 567 3HD2 LEU 73 3HD2 LEU 73 -12.127 -3.892 -1.457 568 H GLY 74 H GLY 74 -15.040 -4.943 -4.488 569 1HA GLY 74 2HA GLY 74 -16.194 -7.449 -5.049 570 2HA GLY 74 1HA GLY 74 -17.047 -5.910 -5.080 571 H ALA 75 H ALA 75 -15.369 -4.732 -7.100 572 HA ALA 75 HA ALA 75 -16.694 -5.681 -9.429 573 1HB ALA 75 1HB ALA 75 -16.224 -3.315 -9.085 574 2HB ALA 75 2HB ALA 75 -15.475 -3.896 -10.583 575 3HB ALA 75 3HB ALA 75 -14.500 -3.659 -9.133 576 H LEU 76 H LEU 76 -13.804 -6.570 -7.887 577 HA LEU 76 HA LEU 76 -12.342 -7.456 -10.223 578 1HB LEU 76 2HB LEU 76 -11.999 -8.164 -7.330 579 2HB LEU 76 1HB LEU 76 -10.833 -8.434 -8.608 580 HG LEU 76 HG LEU 76 -11.679 -5.773 -7.462 581 1HD1 LEU 76 1HD1 LEU 76 -9.437 -5.749 -6.588 582 2HD1 LEU 76 2HD1 LEU 76 -9.149 -7.357 -7.259 583 3HD1 LEU 76 3HD1 LEU 76 -10.349 -7.132 -5.986 584 1HD2 LEU 76 1HD2 LEU 76 -9.866 -4.880 -8.786 585 2HD2 LEU 76 2HD2 LEU 76 -11.122 -5.588 -9.803 586 3HD2 LEU 76 3HD2 LEU 76 -9.615 -6.463 -9.513 587 H LYS 77 H LYS 77 -15.056 -8.512 -8.726 588 HA LYS 77 HA LYS 77 -16.224 -10.414 -8.536 589 1HB LYS 77 2HB LYS 77 -14.228 -11.624 -10.495 590 2HB LYS 77 1HB LYS 77 -15.705 -12.403 -9.973 591 1HG LYS 77 2HG LYS 77 -16.029 -11.559 -12.183 592 2HG LYS 77 1HG LYS 77 -16.960 -10.542 -11.092 593 1HD LYS 77 2HD LYS 77 -15.151 -8.877 -11.135 594 2HD LYS 77 1HD LYS 77 -14.239 -9.885 -12.244 595 1HE LYS 77 2HE LYS 77 -15.987 -9.686 -13.917 596 2HE LYS 77 1HE LYS 77 -16.999 -8.784 -12.790 597 1HZ LYS 77 1HZ LYS 77 -15.321 -7.039 -12.763 598 2HZ LYS 77 2HZ LYS 77 -15.910 -7.314 -14.318 599 3HZ LYS 77 3HZ LYS 77 -14.391 -7.894 -13.894 600 H LEU 78 H LEU 78 -15.432 -10.275 -6.392 601 HA LEU 78 HA LEU 78 -13.748 -12.564 -5.737 602 1HB LEU 78 2HB LEU 78 -13.645 -9.843 -4.465 603 2HB LEU 78 1HB LEU 78 -12.815 -11.257 -3.863 604 HG LEU 78 HG LEU 78 -12.309 -9.899 -6.494 605 1HD1 LEU 78 1HD1 LEU 78 -10.176 -9.270 -5.472 606 2HD1 LEU 78 2HD1 LEU 78 -10.684 -10.012 -3.954 607 3HD1 LEU 78 3HD1 LEU 78 -11.548 -8.606 -4.587 608 1HD2 LEU 78 1HD2 LEU 78 -11.895 -12.283 -6.672 609 2HD2 LEU 78 2HD2 LEU 78 -10.949 -12.250 -5.189 610 3HD2 LEU 78 3HD2 LEU 78 -10.361 -11.413 -6.622 611 HA PRO 79 HA PRO 79 -17.229 -13.101 -2.983 612 1HB PRO 79 2HB PRO 79 -16.067 -15.655 -2.273 613 2HB PRO 79 1HB PRO 79 -17.537 -15.347 -3.197 614 1HG PRO 79 2HG PRO 79 -15.285 -16.427 -4.275 615 2HG PRO 79 1HG PRO 79 -16.453 -15.478 -5.205 616 1HD PRO 79 2HD PRO 79 -13.822 -14.619 -4.048 617 2HD PRO 79 1HD PRO 79 -14.566 -14.247 -5.625 618 H PHE 80 H PHE 80 -17.375 -12.859 -0.885 619 HA PHE 80 HA PHE 80 -15.051 -12.154 0.603 620 1HB PHE 80 2HB PHE 80 -16.933 -11.900 2.439 621 2HB PHE 80 1HB PHE 80 -16.738 -10.688 1.190 622 HD1 PHE 80 1HD PHE 80 -18.661 -13.745 2.057 623 HD2 PHE 80 2HD PHE 80 -18.480 -10.147 -0.182 624 HE1 PHE 80 1HE PHE 80 -21.019 -14.065 1.384 625 HE2 PHE 80 2HE PHE 80 -20.845 -10.446 -0.871 626 HZ PHE 80 HZ PHE 80 -22.108 -12.410 -0.083 627 H GLY 81 H GLY 81 -14.408 -13.038 2.548 628 1HA GLY 81 2HA GLY 81 -14.170 -14.854 4.029 629 2HA GLY 81 1HA GLY 81 -15.266 -15.791 3.035 630 H LYS 82 H LYS 82 -13.186 -14.287 0.955 631 HA LYS 82 HA LYS 82 -11.340 -16.541 0.995 632 1HB LYS 82 2HB LYS 82 -12.391 -15.081 -1.412 633 2HB LYS 82 1HB LYS 82 -11.184 -16.360 -1.440 634 1HG LYS 82 2HG LYS 82 -12.911 -17.858 -0.354 635 2HG LYS 82 1HG LYS 82 -14.058 -16.537 -0.660 636 1HD LYS 82 2HD LYS 82 -13.593 -16.585 -2.935 637 2HD LYS 82 1HD LYS 82 -12.395 -17.864 -2.770 638 1HE LYS 82 2HE LYS 82 -14.144 -19.376 -1.864 639 2HE LYS 82 1HE LYS 82 -15.350 -18.117 -2.136 640 1HZ LYS 82 1HZ LYS 82 -15.318 -19.789 -3.876 641 2HZ LYS 82 2HZ LYS 82 -13.727 -19.416 -4.263 642 3HZ LYS 82 3HZ LYS 82 -14.947 -18.281 -4.517 643 H THR 83 H THR 83 -9.182 -16.056 0.086 644 HA THR 83 HA THR 83 -8.381 -13.297 0.692 645 HB THR 83 HB THR 83 -6.662 -15.794 0.626 646 HG1 THR 83 1HG THR 83 -8.489 -15.420 2.244 647 1HG2 THR 83 1HG2 THR 83 -5.071 -14.402 1.898 648 2HG2 THR 83 2HG2 THR 83 -6.196 -13.047 1.830 649 3HG2 THR 83 3HG2 THR 83 -5.448 -13.644 0.349 650 H THR 84 H THR 84 -7.642 -12.056 -0.835 651 HA THR 84 HA THR 84 -6.803 -13.269 -3.384 652 HB THR 84 HB THR 84 -8.330 -10.675 -3.043 653 HG1 THR 84 1HG THR 84 -9.898 -12.062 -2.756 654 1HG2 THR 84 1HG2 THR 84 -6.901 -10.781 -5.055 655 2HG2 THR 84 2HG2 THR 84 -8.608 -10.828 -5.483 656 3HG2 THR 84 3HG2 THR 84 -7.655 -12.313 -5.504 657 H VAL 85 H VAL 85 -5.018 -12.302 -4.386 658 HA VAL 85 HA VAL 85 -3.645 -10.262 -2.802 659 HB VAL 85 HB VAL 85 -2.483 -12.436 -2.849 660 1HG1 VAL 85 1HG1 VAL 85 -2.372 -12.092 -5.834 661 2HG1 VAL 85 2HG1 VAL 85 -3.275 -13.319 -4.946 662 3HG1 VAL 85 3HG1 VAL 85 -1.511 -13.320 -4.909 663 1HG2 VAL 85 1HG2 VAL 85 -1.126 -10.438 -2.687 664 2HG2 VAL 85 2HG2 VAL 85 -1.055 -10.316 -4.443 665 3HG2 VAL 85 3HG2 VAL 85 -0.279 -11.672 -3.618 666 H MET 86 H MET 86 -2.942 -8.411 -3.832 667 HA MET 86 HA MET 86 -3.217 -8.254 -6.751 668 1HB MET 86 2HB MET 86 -4.187 -6.169 -4.795 669 2HB MET 86 1HB MET 86 -4.089 -5.966 -6.534 670 1HG MET 86 2HG MET 86 -5.743 -7.730 -6.822 671 2HG MET 86 1HG MET 86 -5.842 -7.924 -5.073 672 1HE MET 86 1HE MET 86 -6.587 -5.612 -8.130 673 2HE MET 86 2HE MET 86 -5.518 -4.548 -7.203 674 3HE MET 86 3HE MET 86 -7.239 -4.175 -7.359 675 H HIS 87 H HIS 87 -1.898 -6.678 -7.698 676 HA HIS 87 HA HIS 87 0.355 -5.882 -6.003 677 1HB HIS 87 2HB HIS 87 0.218 -6.353 -8.981 678 2HB HIS 87 1HB HIS 87 1.524 -5.475 -8.173 679 HD1 HIS 87 1HD HIS 87 3.397 -6.784 -7.235 680 HD2 HIS 87 2HD HIS 87 0.112 -9.203 -8.056 681 HE1 HIS 87 1HE HIS 87 4.171 -9.139 -6.858 682 HE2 HIS 87 2HE HIS 87 2.260 -10.557 -7.659 683 H LEU 88 H LEU 88 0.842 -3.764 -5.782 684 HA LEU 88 HA LEU 88 -0.897 -1.974 -7.282 685 1HB LEU 88 2HB LEU 88 -0.046 -1.773 -4.397 686 2HB LEU 88 1HB LEU 88 -0.903 -0.529 -5.273 687 HG LEU 88 HG LEU 88 -2.440 -1.646 -3.849 688 1HD1 LEU 88 1HD1 LEU 88 -2.918 -2.544 -6.672 689 2HD1 LEU 88 2HD1 LEU 88 -3.344 -0.985 -5.967 690 3HD1 LEU 88 3HD1 LEU 88 -4.132 -2.451 -5.396 691 1HD2 LEU 88 1HD2 LEU 88 -2.946 -4.050 -4.024 692 2HD2 LEU 88 2HD2 LEU 88 -1.304 -3.729 -3.470 693 3HD2 LEU 88 3HD2 LEU 88 -1.589 -4.230 -5.134 694 H VAL 89 H VAL 89 -0.010 -0.064 -7.933 695 HA VAL 89 HA VAL 89 2.860 0.142 -7.506 696 HB VAL 89 HB VAL 89 3.031 1.251 -9.752 697 1HG1 VAL 89 1HG1 VAL 89 2.835 -0.790 -11.094 698 2HG1 VAL 89 2HG1 VAL 89 1.874 -1.530 -9.824 699 3HG1 VAL 89 3HG1 VAL 89 3.572 -1.131 -9.523 700 1HG2 VAL 89 1HG2 VAL 89 1.230 1.044 -11.350 701 2HG2 VAL 89 2HG2 VAL 89 0.651 1.936 -9.931 702 3HG2 VAL 89 3HG2 VAL 89 0.231 0.231 -10.153 703 H ALA 90 H ALA 90 3.628 2.023 -6.823 704 HA ALA 90 HA ALA 90 1.855 4.325 -6.790 705 1HB ALA 90 1HB ALA 90 3.470 3.361 -4.419 706 2HB ALA 90 2HB ALA 90 1.712 3.270 -4.580 707 3HB ALA 90 3HB ALA 90 2.506 4.839 -4.506 708 H ARG 91 H ARG 91 2.939 6.314 -6.872 709 HA ARG 91 HA ARG 91 5.816 6.348 -7.131 710 1HB ARG 91 2HB ARG 91 3.874 7.170 -9.317 711 2HB ARG 91 1HB ARG 91 5.527 7.738 -9.242 712 1HG ARG 91 2HG ARG 91 6.349 5.491 -9.568 713 2HG ARG 91 1HG ARG 91 4.705 4.852 -9.499 714 1HD ARG 91 2HD ARG 91 5.577 5.090 -11.806 715 2HD ARG 91 1HD ARG 91 4.100 6.006 -11.513 716 HE ARG 91 HE ARG 91 6.213 7.734 -11.044 717 1HH1 ARG 91 1HH1 ARG 91 5.119 5.846 -13.846 718 2HH1 ARG 91 2HH1 ARG 91 5.541 7.052 -14.974 719 1HH2 ARG 91 1HH2 ARG 91 6.768 9.387 -12.651 720 2HH2 ARG 91 2HH2 ARG 91 6.480 9.055 -14.287 721 H GLU 92 H GLU 92 6.574 8.430 -6.649 722 HA GLU 92 HA GLU 92 6.526 10.485 -5.604 723 1HB GLU 92 2HB GLU 92 3.979 10.689 -7.236 724 2HB GLU 92 1HB GLU 92 4.810 12.049 -6.479 725 1HG GLU 92 2HG GLU 92 6.748 11.719 -7.845 726 2HG GLU 92 1HG GLU 92 6.087 10.232 -8.507 727 H THR 93 H THR 93 5.574 8.269 -4.246 728 HA THR 93 HA THR 93 3.247 9.218 -2.872 729 HB THR 93 HB THR 93 3.129 6.902 -3.571 730 HG1 THR 93 1HG THR 93 3.297 7.337 -0.791 731 1HG2 THR 93 1HG2 THR 93 4.578 5.163 -2.626 732 2HG2 THR 93 2HG2 THR 93 5.482 6.381 -1.742 733 3HG2 THR 93 3HG2 THR 93 5.537 6.353 -3.509 734 H LEU 94 H LEU 94 6.412 9.753 -2.595 735 HA LEU 94 HA LEU 94 6.478 9.693 0.327 736 1HB LEU 94 2HB LEU 94 8.740 10.036 -1.643 737 2HB LEU 94 1HB LEU 94 8.924 10.335 0.060 738 HG LEU 94 HG LEU 94 8.296 7.914 0.464 739 1HD1 LEU 94 1HD1 LEU 94 7.188 7.462 -1.646 740 2HD1 LEU 94 2HD1 LEU 94 8.509 6.335 -1.334 741 3HD1 LEU 94 3HD1 LEU 94 8.727 7.654 -2.490 742 1HD2 LEU 94 1HD2 LEU 94 10.757 8.455 -1.168 743 2HD2 LEU 94 2HD2 LEU 94 10.491 7.057 -0.134 744 3HD2 LEU 94 3HD2 LEU 94 10.586 8.670 0.572 745 HA PRO 95 HA PRO 95 5.746 13.985 0.601 746 1HB PRO 95 2HB PRO 95 7.124 14.532 2.896 747 2HB PRO 95 1HB PRO 95 5.538 13.755 2.857 748 1HG PRO 95 2HG PRO 95 8.249 12.537 3.145 749 2HG PRO 95 1HG PRO 95 6.749 12.142 4.006 750 1HD PRO 95 2HD PRO 95 7.666 10.646 1.971 751 2HD PRO 95 1HD PRO 95 5.929 10.887 2.250 752 H GLU 96 H GLU 96 6.666 15.722 -0.359 753 HA GLU 96 HA GLU 96 9.537 15.961 -0.155 754 1HB GLU 96 2HB GLU 96 7.638 17.059 -2.226 755 2HB GLU 96 1HB GLU 96 9.239 17.741 -2.009 756 1HG GLU 96 2HG GLU 96 10.137 15.437 -2.473 757 2HG GLU 96 1HG GLU 96 8.497 14.986 -2.954 758 HA PRO 97 HA PRO 97 9.323 19.541 2.528 759 1HB PRO 97 2HB PRO 97 10.472 21.294 0.506 760 2HB PRO 97 1HB PRO 97 11.196 20.751 2.029 761 1HG PRO 97 2HG PRO 97 11.595 19.775 -0.689 762 2HG PRO 97 1HG PRO 97 12.521 19.399 0.768 763 1HD PRO 97 2HD PRO 97 10.930 17.595 -0.521 764 2HD PRO 97 1HD PRO 97 11.277 17.530 1.216 765 H ASN 98 H ASN 98 8.943 20.713 -0.817 766 HA ASN 98 HA ASN 98 6.238 21.694 -0.218 767 1HB ASN 98 2HB ASN 98 8.012 23.504 0.164 768 2HB ASN 98 1HB ASN 98 8.414 23.324 -1.535 769 1HD2 ASN 98 1HD2 ASN 98 6.055 24.447 0.725 770 2HD2 ASN 98 2HD2 ASN 98 5.136 25.420 -0.354 771 H SER 99 H SER 99 7.833 19.623 -1.771 772 HA SER 99 HA SER 99 8.032 18.612 -3.704 773 1HB SER 99 2HB SER 99 5.438 20.002 -4.338 774 2HB SER 99 1HB SER 99 6.175 18.730 -5.327 775 HG SER 99 HG SER 99 4.874 17.651 -4.002 776 H GLN 100 H GLN 100 9.893 19.638 -4.069 777 HA GLN 100 HA GLN 100 9.949 21.700 -6.091 778 1HB GLN 100 2HB GLN 100 12.424 21.465 -5.959 779 2HB GLN 100 1HB GLN 100 11.673 21.835 -4.418 780 1HG GLN 100 2HG GLN 100 11.854 19.473 -3.778 781 2HG GLN 100 1HG GLN 100 12.608 19.118 -5.325 782 1HE2 GLN 100 1HE2 GLN 100 13.286 22.041 -3.497 783 2HE2 GLN 100 2HE2 GLN 100 14.888 21.596 -3.072 784 H GLY 101 H GLY 101 10.568 18.205 -5.860 785 1HA GLY 101 2HA GLY 101 10.670 16.586 -7.467 786 2HA GLY 101 1HA GLY 101 9.966 17.743 -8.581 787 H GLN 102 H GLN 102 12.690 19.105 -7.377 788 HA GLN 102 HA GLN 102 14.386 18.098 -9.542 789 1HB GLN 102 2HB GLN 102 13.179 20.174 -10.192 790 2HB GLN 102 1HB GLN 102 13.889 20.986 -8.815 791 1HG GLN 102 2HG GLN 102 16.101 20.717 -9.781 792 2HG GLN 102 1HG GLN 102 15.400 19.855 -11.159 793 1HE2 GLN 102 1HE2 GLN 102 16.083 21.373 -12.633 794 2HE2 GLN 102 2HE2 GLN 102 15.357 22.936 -12.765 795 H ARG 103 H ARG 103 16.067 17.300 -8.566 796 HA ARG 103 HA ARG 103 16.841 18.006 -5.883 797 1HB ARG 103 2HB ARG 103 16.874 15.706 -6.597 798 2HB ARG 103 1HB ARG 103 17.975 16.084 -7.909 799 1HG ARG 103 2HG ARG 103 19.683 16.711 -6.235 800 2HG ARG 103 1HG ARG 103 18.577 16.184 -4.961 801 1HD ARG 103 2HD ARG 103 18.556 13.941 -5.882 802 2HD ARG 103 1HD ARG 103 19.584 14.468 -7.216 803 HE ARG 103 HE ARG 103 20.677 14.895 -4.588 804 1HH1 ARG 103 1HH1 ARG 103 20.465 12.710 -7.351 805 2HH1 ARG 103 2HH1 ARG 103 21.866 11.838 -6.965 806 1HH2 ARG 103 1HH2 ARG 103 22.608 13.697 -4.038 807 2HH2 ARG 103 2HH2 ARG 103 23.112 12.388 -5.024 808 H ASN 104 H ASN 104 18.084 18.437 -9.114 809 HA ASN 104 HA ASN 104 20.607 19.521 -8.144 810 1HB ASN 104 2HB ASN 104 20.538 17.912 -10.016 811 2HB ASN 104 1HB ASN 104 19.577 19.048 -10.952 812 1HD2 ASN 104 1HD2 ASN 104 21.061 19.221 -12.581 813 2HD2 ASN 104 2HD2 ASN 104 22.566 20.050 -12.348 814 H ARG 105 H ARG 105 21.399 21.597 -9.400 815 HA ARG 105 HA ARG 105 19.890 23.875 -8.817 816 1HB ARG 105 2HB ARG 105 22.250 23.986 -9.304 817 2HB ARG 105 1HB ARG 105 21.951 23.456 -10.959 818 1HG ARG 105 2HG ARG 105 20.523 25.483 -11.254 819 2HG ARG 105 1HG ARG 105 21.102 26.042 -9.687 820 1HD ARG 105 2HD ARG 105 23.343 25.932 -10.462 821 2HD ARG 105 1HD ARG 105 22.778 25.344 -12.045 822 HE ARG 105 HE ARG 105 21.614 27.837 -11.225 823 1HH1 ARG 105 1HH1 ARG 105 24.383 26.430 -12.930 824 2HH1 ARG 105 2HH1 ARG 105 24.671 27.795 -13.910 825 1HH2 ARG 105 1HH2 ARG 105 22.017 29.744 -12.576 826 2HH2 ARG 105 2HH2 ARG 105 23.274 29.715 -13.709 827 H GLU 106 H GLU 106 20.411 22.285 -11.942 828 HA GLU 106 HA GLU 106 17.709 23.043 -12.656 829 1HB GLU 106 2HB GLU 106 19.089 24.766 -13.650 830 2HB GLU 106 1HB GLU 106 20.116 23.553 -14.401 831 1HG GLU 106 2HG GLU 106 18.214 22.784 -15.744 832 2HG GLU 106 1HG GLU 106 17.201 24.012 -14.995 833 H LYS 107 H LYS 107 20.395 21.523 -14.464 834 HA LYS 107 HA LYS 107 19.244 18.946 -14.603 835 1HB LYS 107 2HB LYS 107 17.484 20.422 -15.685 836 2HB LYS 107 1HB LYS 107 18.673 20.855 -16.882 837 1HG LYS 107 2HG LYS 107 18.700 18.562 -17.691 838 2HG LYS 107 1HG LYS 107 17.523 18.103 -16.443 839 1HD LYS 107 2HD LYS 107 15.965 19.784 -17.345 840 2HD LYS 107 1HD LYS 107 17.125 20.160 -18.608 841 1HE LYS 107 2HE LYS 107 16.970 17.840 -19.390 842 2HE LYS 107 1HE LYS 107 15.754 17.525 -18.160 843 1HZ LYS 107 1HZ LYS 107 15.488 19.546 -20.318 844 2HZ LYS 107 2HZ LYS 107 14.326 19.182 -19.150 845 3HZ LYS 107 3HZ LYS 107 14.746 18.034 -20.309 846 H THR 108 H THR 108 20.264 17.942 -16.790 847 HA THR 108 HA THR 108 23.008 18.217 -16.692 848 HB THR 108 HB THR 108 22.933 16.973 -18.899 849 HG1 THR 108 1HG THR 108 20.947 17.788 -19.643 850 1HG2 THR 108 1HG2 THR 108 21.254 15.919 -16.614 851 2HG2 THR 108 2HG2 THR 108 23.009 15.792 -16.747 852 3HG2 THR 108 3HG2 THR 108 21.969 14.939 -17.891 853 H GLY 109 H GLY 109 24.241 19.815 -17.298 854 1HA GLY 109 2HA GLY 109 24.999 21.044 -19.352 855 2HA GLY 109 1HA GLY 109 23.337 21.650 -19.414 856 H GLU 110 H GLU 110 22.833 21.877 -16.786 857 HA GLU 110 HA GLU 110 22.827 23.248 -15.042 858 1HB GLU 110 2HB GLU 110 25.147 21.955 -14.903 859 2HB GLU 110 1HB GLU 110 25.770 23.595 -15.056 860 1HG GLU 110 2HG GLU 110 25.564 23.022 -12.748 861 2HG GLU 110 1HG GLU 110 24.367 24.261 -13.155 862 H SER 111 H SER 111 21.858 25.074 -15.803 863 HA SER 111 HA SER 111 23.396 27.465 -16.119 864 1HB SER 111 2HB SER 111 21.876 26.333 -18.509 865 2HB SER 111 1HB SER 111 22.541 27.962 -18.418 866 HG SER 111 HG SER 111 24.385 26.079 -17.818 867 H ASN 112 H ASN 112 21.306 28.952 -17.408 868 HA ASN 112 HA ASN 112 18.969 28.311 -15.795 869 1HB ASN 112 2HB ASN 112 20.038 30.393 -14.962 870 2HB ASN 112 1HB ASN 112 19.943 31.091 -16.569 871 1HD2 ASN 112 1HD2 ASN 112 18.828 32.002 -14.016 872 2HD2 ASN 112 2HD2 ASN 112 17.127 32.155 -14.265 873 H CYS 113 H CYS 113 18.128 27.094 -17.374 874 HA CYS 113 HA CYS 113 17.785 28.235 -19.998 875 1HB CYS 113 2HB CYS 113 17.010 25.513 -18.956 876 2HB CYS 113 1HB CYS 113 16.977 26.035 -20.639 877 HG CYS 113 HG CYS 113 19.520 25.137 -18.686 878 H CYS 114 H CYS 114 16.371 29.833 -19.562 879 HA CYS 114 HA CYS 114 13.611 28.930 -19.275 880 1HB CYS 114 2HB CYS 114 14.266 30.228 -17.265 881 2HB CYS 114 1HB CYS 114 14.813 31.543 -18.291 882 HG CYS 114 HG CYS 114 11.637 30.610 -17.529 883 H VAL 115 H VAL 115 13.096 28.876 -21.369 884 HA VAL 115 HA VAL 115 14.336 30.717 -23.142 885 HB VAL 115 HB VAL 115 13.100 29.568 -24.994 886 1HG1 VAL 115 1HG1 VAL 115 14.366 27.474 -24.826 887 2HG1 VAL 115 2HG1 VAL 115 14.651 27.794 -23.118 888 3HG1 VAL 115 3HG1 VAL 115 15.330 28.871 -24.343 889 1HG2 VAL 115 1HG2 VAL 115 11.131 28.814 -23.741 890 2HG2 VAL 115 2HG2 VAL 115 12.143 27.732 -22.782 891 3HG2 VAL 115 3HG2 VAL 115 11.943 27.454 -24.512 892 H ILE 116 H ILE 116 13.762 32.662 -22.956 893 HA ILE 116 HA ILE 116 10.945 33.283 -23.336 894 HB ILE 116 HB ILE 116 11.729 34.323 -21.320 895 1HG1 ILE 116 2HG1 ILE 116 11.609 36.429 -23.497 896 2HG1 ILE 116 1HG1 ILE 116 10.233 35.715 -22.668 897 1HG2 ILE 116 1HG2 ILE 116 14.028 35.478 -22.871 898 2HG2 ILE 116 2HG2 ILE 116 14.108 34.230 -21.628 899 3HG2 ILE 116 3HG2 ILE 116 13.634 35.876 -21.199 900 1HD1 ILE 116 1HD1 ILE 116 10.983 36.726 -20.569 901 2HD1 ILE 116 2HD1 ILE 116 10.728 37.943 -21.821 902 3HD1 ILE 116 3HD1 ILE 116 12.364 37.434 -21.407 903 H LEU 117 H LEU 117 10.801 33.027 -25.457 904 HA LEU 117 HA LEU 117 12.647 34.515 -27.168 905 1HB LEU 117 2HB LEU 117 10.831 32.196 -27.816 906 2HB LEU 117 1HB LEU 117 11.937 32.967 -28.932 907 HG LEU 117 HG LEU 117 12.727 31.411 -26.468 908 1HD1 LEU 117 1HD1 LEU 117 13.565 29.758 -28.052 909 2HD1 LEU 117 2HD1 LEU 117 12.914 30.710 -29.389 910 3HD1 LEU 117 3HD1 LEU 117 11.823 29.988 -28.207 911 1HD2 LEU 117 1HD2 LEU 117 14.422 32.643 -28.642 912 2HD2 LEU 117 2HD2 LEU 117 15.010 31.599 -27.352 913 3HD2 LEU 117 3HD2 LEU 117 14.334 33.179 -26.965 Start of MODEL 16 1 H SER 2 H SER 2 -10.021 -11.249 13.303 2 HA SER 2 HA SER 2 -11.495 -13.690 13.840 3 1HB SER 2 2HB SER 2 -12.560 -11.802 12.539 4 2HB SER 2 1HB SER 2 -11.354 -12.132 11.280 5 HG SER 2 HG SER 2 -12.660 -13.580 10.573 6 H SER 3 H SER 3 -10.998 -15.564 12.940 7 HA SER 3 HA SER 3 -8.334 -15.734 11.761 8 1HB SER 3 2HB SER 3 -8.502 -18.174 12.326 9 2HB SER 3 1HB SER 3 -8.557 -17.094 13.718 10 HG SER 3 HG SER 3 -10.444 -18.807 12.732 11 H ASN 4 H ASN 4 -11.381 -15.616 10.802 12 HA ASN 4 HA ASN 4 -10.799 -16.975 8.266 13 1HB ASN 4 2HB ASN 4 -12.366 -18.405 9.582 14 2HB ASN 4 1HB ASN 4 -13.460 -17.038 9.732 15 1HD2 ASN 4 1HD2 ASN 4 -15.154 -18.194 8.701 16 2HD2 ASN 4 2HD2 ASN 4 -15.130 -18.487 7.019 17 H VAL 5 H VAL 5 -11.931 -16.002 6.480 18 HA VAL 5 HA VAL 5 -12.096 -13.158 6.824 19 HB VAL 5 HB VAL 5 -12.680 -14.794 4.368 20 1HG1 VAL 5 1HG1 VAL 5 -12.105 -12.755 3.135 21 2HG1 VAL 5 2HG1 VAL 5 -11.929 -11.896 4.672 22 3HG1 VAL 5 3HG1 VAL 5 -13.497 -12.565 4.203 23 1HG2 VAL 5 1HG2 VAL 5 -10.489 -15.364 5.119 24 2HG2 VAL 5 2HG2 VAL 5 -10.025 -13.654 5.222 25 3HG2 VAL 5 3HG2 VAL 5 -10.409 -14.394 3.652 26 HA PRO 6 HA PRO 6 -16.539 -13.325 7.611 27 1HB PRO 6 2HB PRO 6 -16.367 -10.461 6.887 28 2HB PRO 6 1HB PRO 6 -17.002 -11.211 8.351 29 1HG PRO 6 2HG PRO 6 -14.675 -9.910 8.314 30 2HG PRO 6 1HG PRO 6 -14.930 -11.334 9.346 31 1HD PRO 6 2HD PRO 6 -13.410 -11.076 6.792 32 2HD PRO 6 1HD PRO 6 -13.094 -12.094 8.213 33 H ALA 7 H ALA 7 -18.493 -12.656 6.448 34 HA ALA 7 HA ALA 7 -18.170 -13.087 3.601 35 1HB ALA 7 1HB ALA 7 -20.571 -13.567 3.626 36 2HB ALA 7 2HB ALA 7 -20.637 -13.132 5.337 37 3HB ALA 7 3HB ALA 7 -19.706 -14.535 4.818 38 H ASP 8 H ASP 8 -18.115 -10.515 5.456 39 HA ASP 8 HA ASP 8 -19.431 -8.847 3.414 40 1HB ASP 8 2HB ASP 8 -19.145 -8.226 6.367 41 2HB ASP 8 1HB ASP 8 -19.696 -7.068 5.166 42 H MET 9 H MET 9 -16.553 -9.875 4.436 43 HA MET 9 HA MET 9 -15.187 -7.384 3.693 44 1HB MET 9 2HB MET 9 -14.338 -9.337 5.843 45 2HB MET 9 1HB MET 9 -13.421 -7.938 5.314 46 1HG MET 9 2HG MET 9 -16.129 -7.831 6.605 47 2HG MET 9 1HG MET 9 -14.599 -7.646 7.472 48 1HE MET 9 1HE MET 9 -13.301 -4.230 6.156 49 2HE MET 9 2HE MET 9 -12.848 -5.828 5.591 50 3HE MET 9 3HE MET 9 -13.050 -5.535 7.322 51 H ILE 10 H ILE 10 -13.158 -7.781 2.651 52 HA ILE 10 HA ILE 10 -12.689 -10.547 1.929 53 HB ILE 10 HB ILE 10 -11.781 -9.741 -0.322 54 1HG1 ILE 10 2HG1 ILE 10 -12.993 -7.614 -1.160 55 2HG1 ILE 10 1HG1 ILE 10 -13.072 -7.226 0.553 56 1HG2 ILE 10 1HG2 ILE 10 -13.834 -10.870 -0.326 57 2HG2 ILE 10 2HG2 ILE 10 -13.902 -9.469 -1.429 58 3HG2 ILE 10 3HG2 ILE 10 -14.700 -9.387 0.138 59 1HD1 ILE 10 1HD1 ILE 10 -10.609 -7.277 0.647 60 2HD1 ILE 10 2HD1 ILE 10 -11.215 -6.143 -0.598 61 3HD1 ILE 10 3HD1 ILE 10 -10.619 -7.716 -1.073 62 H ASN 11 H ASN 11 -10.599 -11.274 2.071 63 HA ASN 11 HA ASN 11 -8.913 -9.450 3.612 64 1HB ASN 11 2HB ASN 11 -9.418 -11.842 4.352 65 2HB ASN 11 1HB ASN 11 -8.403 -12.362 3.032 66 1HD2 ASN 11 1HD2 ASN 11 -6.176 -12.037 3.144 67 2HD2 ASN 11 2HD2 ASN 11 -5.380 -11.662 4.614 68 H LEU 12 H LEU 12 -7.543 -8.272 2.534 69 HA LEU 12 HA LEU 12 -6.636 -9.258 -0.062 70 1HB LEU 12 2HB LEU 12 -8.118 -7.453 -0.349 71 2HB LEU 12 1HB LEU 12 -7.350 -6.524 0.914 72 HG LEU 12 HG LEU 12 -5.368 -6.264 -0.514 73 1HD1 LEU 12 1HD1 LEU 12 -5.499 -8.217 -1.821 74 2HD1 LEU 12 2HD1 LEU 12 -5.426 -6.788 -2.836 75 3HD1 LEU 12 3HD1 LEU 12 -6.970 -7.654 -2.645 76 1HD2 LEU 12 1HD2 LEU 12 -7.962 -5.367 -1.729 77 2HD2 LEU 12 2HD2 LEU 12 -6.373 -4.691 -2.093 78 3HD2 LEU 12 3HD2 LEU 12 -7.046 -4.542 -0.468 79 H ARG 13 H ARG 13 -4.534 -9.363 -0.436 80 HA ARG 13 HA ARG 13 -2.772 -8.042 1.474 81 1HB ARG 13 2HB ARG 13 -2.469 -10.534 1.145 82 2HB ARG 13 1HB ARG 13 -2.076 -10.191 -0.521 83 1HG ARG 13 2HG ARG 13 -0.062 -9.178 -0.005 84 2HG ARG 13 1HG ARG 13 -0.521 -8.891 1.672 85 1HD ARG 13 2HD ARG 13 1.075 -10.684 1.603 86 2HD ARG 13 1HD ARG 13 -0.507 -11.298 2.065 87 HE ARG 13 HE ARG 13 0.683 -11.625 -0.614 88 1HH1 ARG 13 1HH1 ARG 13 -1.497 -12.877 1.986 89 2HH1 ARG 13 2HH1 ARG 13 -1.583 -14.395 1.286 90 1HH2 ARG 13 1HH2 ARG 13 0.510 -13.772 -1.486 91 2HH2 ARG 13 2HH2 ARG 13 -0.431 -14.954 -0.698 92 H LEU 14 H LEU 14 -1.978 -6.345 0.917 93 HA LEU 14 HA LEU 14 -1.931 -5.348 -1.843 94 1HB LEU 14 2HB LEU 14 -1.407 -3.799 0.796 95 2HB LEU 14 1HB LEU 14 -1.276 -3.118 -0.796 96 HG LEU 14 HG LEU 14 -3.224 -2.448 0.314 97 1HD1 LEU 14 1HD1 LEU 14 -3.296 -2.583 -2.092 98 2HD1 LEU 14 2HD1 LEU 14 -4.881 -2.937 -1.404 99 3HD1 LEU 14 3HD1 LEU 14 -3.866 -4.251 -1.999 100 1HD2 LEU 14 1HD2 LEU 14 -3.773 -4.303 1.756 101 2HD2 LEU 14 2HD2 LEU 14 -3.962 -5.338 0.354 102 3HD2 LEU 14 3HD2 LEU 14 -5.117 -4.023 0.622 103 H ILE 15 H ILE 15 -0.047 -5.368 -3.079 104 HA ILE 15 HA ILE 15 2.358 -5.777 -1.524 105 HB ILE 15 HB ILE 15 2.026 -6.030 -4.527 106 1HG1 ILE 15 2HG1 ILE 15 1.812 -8.147 -2.328 107 2HG1 ILE 15 1HG1 ILE 15 0.584 -7.618 -3.430 108 1HG2 ILE 15 1HG2 ILE 15 4.312 -5.623 -3.775 109 2HG2 ILE 15 2HG2 ILE 15 4.172 -7.321 -4.272 110 3HG2 ILE 15 3HG2 ILE 15 4.134 -6.873 -2.555 111 1HD1 ILE 15 1HD1 ILE 15 1.739 -8.560 -5.304 112 2HD1 ILE 15 2HD1 ILE 15 1.507 -9.776 -4.045 113 3HD1 ILE 15 3HD1 ILE 15 3.086 -9.025 -4.270 114 H LEU 16 H LEU 16 3.652 -4.189 -1.187 115 HA LEU 16 HA LEU 16 3.058 -1.571 -2.201 116 1HB LEU 16 2HB LEU 16 3.652 -1.972 0.152 117 2HB LEU 16 1HB LEU 16 5.219 -2.566 -0.340 118 HG LEU 16 HG LEU 16 5.780 -0.299 -1.178 119 1HD1 LEU 16 1HD1 LEU 16 3.523 0.479 -1.665 120 2HD1 LEU 16 2HD1 LEU 16 4.379 1.589 -0.611 121 3HD1 LEU 16 3HD1 LEU 16 3.153 0.507 0.060 122 1HD2 LEU 16 1HD2 LEU 16 6.430 -0.995 1.076 123 2HD2 LEU 16 2HD2 LEU 16 4.892 -0.411 1.709 124 3HD2 LEU 16 3HD2 LEU 16 6.056 0.725 1.024 125 H VAL 17 H VAL 17 4.726 -0.177 -3.108 126 HA VAL 17 HA VAL 17 5.888 -1.223 -5.421 127 HB VAL 17 HB VAL 17 6.882 0.992 -5.766 128 1HG1 VAL 17 1HG1 VAL 17 4.839 2.291 -5.754 129 2HG1 VAL 17 2HG1 VAL 17 4.100 1.148 -4.631 130 3HG1 VAL 17 3HG1 VAL 17 4.507 0.636 -6.267 131 1HG2 VAL 17 1HG2 VAL 17 6.602 2.773 -4.089 132 2HG2 VAL 17 2HG2 VAL 17 7.619 1.468 -3.482 133 3HG2 VAL 17 3HG2 VAL 17 5.939 1.592 -2.957 134 H SER 18 H SER 18 7.110 -1.262 -2.304 135 HA SER 18 HA SER 18 9.899 -1.214 -3.041 136 1HB SER 18 2HB SER 18 9.085 -0.382 -0.817 137 2HB SER 18 1HB SER 18 8.596 -2.024 -0.419 138 HG SER 18 HG SER 18 11.065 -0.849 -0.360 139 H GLY 19 H GLY 19 7.394 -3.479 -3.263 140 1HA GLY 19 2HA GLY 19 7.573 -5.643 -4.112 141 2HA GLY 19 1HA GLY 19 9.282 -5.656 -3.688 142 H LYS 20 H LYS 20 7.360 -4.473 -1.272 143 HA LYS 20 HA LYS 20 7.562 -6.974 0.223 144 1HB LYS 20 2HB LYS 20 7.505 -4.099 1.162 145 2HB LYS 20 1HB LYS 20 7.282 -5.440 2.261 146 1HG LYS 20 2HG LYS 20 9.575 -4.580 2.351 147 2HG LYS 20 1HG LYS 20 9.549 -6.240 1.764 148 1HD LYS 20 2HD LYS 20 9.847 -5.443 -0.512 149 2HD LYS 20 1HD LYS 20 9.763 -3.776 0.044 150 1HE LYS 20 2HE LYS 20 11.867 -5.771 0.868 151 2HE LYS 20 1HE LYS 20 12.073 -4.563 -0.397 152 1HZ LYS 20 1HZ LYS 20 13.021 -3.813 1.688 153 2HZ LYS 20 2HZ LYS 20 11.558 -3.970 2.481 154 3HZ LYS 20 3HZ LYS 20 11.739 -2.830 1.254 155 H THR 21 H THR 21 5.733 -7.608 1.552 156 HA THR 21 HA THR 21 3.251 -6.603 0.370 157 HB THR 21 HB THR 21 2.317 -8.839 0.834 158 HG1 THR 21 1HG THR 21 4.887 -9.867 1.258 159 1HG2 THR 21 1HG2 THR 21 3.346 -8.343 -1.350 160 2HG2 THR 21 2HG2 THR 21 3.522 -10.043 -0.921 161 3HG2 THR 21 3HG2 THR 21 4.885 -8.934 -0.752 162 H LYS 22 H LYS 22 1.491 -6.349 1.644 163 HA LYS 22 HA LYS 22 1.566 -7.247 4.357 164 1HB LYS 22 2HB LYS 22 1.732 -4.394 3.805 165 2HB LYS 22 1HB LYS 22 0.319 -4.790 4.778 166 1HG LYS 22 2HG LYS 22 3.160 -5.570 5.458 167 2HG LYS 22 1HG LYS 22 2.258 -4.233 6.183 168 1HD LYS 22 2HD LYS 22 0.609 -5.801 7.055 169 2HD LYS 22 1HD LYS 22 1.442 -7.152 6.301 170 1HE LYS 22 2HE LYS 22 1.979 -7.080 8.640 171 2HE LYS 22 1HE LYS 22 3.414 -6.675 7.708 172 1HZ LYS 22 1HZ LYS 22 3.064 -4.335 8.252 173 2HZ LYS 22 2HZ LYS 22 3.098 -5.270 9.650 174 3HZ LYS 22 3HZ LYS 22 1.639 -4.715 9.086 175 H GLU 23 H GLU 23 -0.368 -7.700 5.287 176 HA GLU 23 HA GLU 23 -2.532 -7.784 3.314 177 1HB GLU 23 2HB GLU 23 -1.196 -9.891 3.727 178 2HB GLU 23 1HB GLU 23 -1.858 -9.866 5.349 179 1HG GLU 23 2HG GLU 23 -4.121 -9.849 4.298 180 2HG GLU 23 1HG GLU 23 -3.326 -10.119 2.793 181 H PHE 24 H PHE 24 -4.471 -7.145 4.047 182 HA PHE 24 HA PHE 24 -4.994 -7.013 6.906 183 1HB PHE 24 2HB PHE 24 -5.332 -4.657 5.047 184 2HB PHE 24 1HB PHE 24 -5.838 -4.693 6.714 185 HD1 PHE 24 1HD PHE 24 -3.142 -4.129 4.413 186 HD2 PHE 24 2HD PHE 24 -4.075 -4.753 8.501 187 HE1 PHE 24 1HE PHE 24 -0.950 -3.224 5.039 188 HE2 PHE 24 2HE PHE 24 -1.877 -3.856 9.134 189 HZ PHE 24 HZ PHE 24 -0.312 -3.086 7.408 190 H LEU 25 H LEU 25 -7.288 -6.749 7.282 191 HA LEU 25 HA LEU 25 -8.876 -7.950 5.188 192 1HB LEU 25 2HB LEU 25 -9.049 -8.567 7.639 193 2HB LEU 25 1HB LEU 25 -9.680 -6.959 7.922 194 HG LEU 25 HG LEU 25 -11.614 -7.467 6.509 195 1HD1 LEU 25 1HD1 LEU 25 -10.618 -9.144 5.058 196 2HD1 LEU 25 2HD1 LEU 25 -12.053 -9.772 5.855 197 3HD1 LEU 25 3HD1 LEU 25 -10.450 -10.244 6.425 198 1HD2 LEU 25 1HD2 LEU 25 -12.695 -8.986 8.097 199 2HD2 LEU 25 2HD2 LEU 25 -11.727 -7.766 8.926 200 3HD2 LEU 25 3HD2 LEU 25 -11.117 -9.412 8.759 201 H PHE 26 H PHE 26 -10.058 -6.708 3.775 202 HA PHE 26 HA PHE 26 -10.790 -4.020 4.638 203 1HB PHE 26 2HB PHE 26 -9.584 -4.755 1.953 204 2HB PHE 26 1HB PHE 26 -10.435 -3.252 2.246 205 HD1 PHE 26 1HD PHE 26 -7.254 -5.004 2.528 206 HD2 PHE 26 2HD PHE 26 -9.455 -1.607 3.909 207 HE1 PHE 26 1HE PHE 26 -5.199 -3.950 3.225 208 HE2 PHE 26 2HE PHE 26 -7.350 -0.560 4.625 209 HZ PHE 26 HZ PHE 26 -5.197 -1.750 4.256 210 H SER 27 H SER 27 -12.467 -3.143 2.966 211 HA SER 27 HA SER 27 -14.365 -5.322 2.738 212 1HB SER 27 2HB SER 27 -16.083 -3.585 2.528 213 2HB SER 27 1HB SER 27 -15.089 -3.254 3.929 214 HG SER 27 HG SER 27 -13.830 -1.901 2.323 215 HA PRO 28 HA PRO 28 -13.722 -5.507 -1.592 216 1HB PRO 28 2HB PRO 28 -16.233 -6.071 -2.519 217 2HB PRO 28 1HB PRO 28 -15.252 -7.232 -1.592 218 1HG PRO 28 2HG PRO 28 -17.336 -5.363 -0.556 219 2HG PRO 28 1HG PRO 28 -17.210 -7.127 -0.367 220 1HD PRO 28 2HD PRO 28 -16.318 -5.553 1.568 221 2HD PRO 28 1HD PRO 28 -15.345 -6.955 1.044 222 H ASN 29 H ASN 29 -15.664 -3.192 -0.115 223 HA ASN 29 HA ASN 29 -16.307 -1.688 -2.512 224 1HB ASN 29 2HB ASN 29 -16.990 -1.234 0.392 225 2HB ASN 29 1HB ASN 29 -17.485 -0.170 -0.912 226 1HD2 ASN 29 1HD2 ASN 29 -19.111 -0.826 -2.297 227 2HD2 ASN 29 2HD2 ASN 29 -20.089 -2.214 -1.983 228 H ASP 30 H ASP 30 -13.668 -1.902 -0.416 229 HA ASP 30 HA ASP 30 -13.011 0.905 -0.399 230 1HB ASP 30 2HB ASP 30 -11.332 -1.539 0.230 231 2HB ASP 30 1HB ASP 30 -10.674 0.093 0.289 232 H SER 31 H SER 31 -11.276 1.946 -1.591 233 HA SER 31 HA SER 31 -11.086 0.913 -4.292 234 1HB SER 31 2HB SER 31 -10.141 3.512 -3.058 235 2HB SER 31 1HB SER 31 -10.071 3.121 -4.777 236 HG SER 31 HG SER 31 -12.489 2.991 -3.337 237 H ALA 32 H ALA 32 -9.461 -0.251 -4.931 238 HA ALA 32 HA ALA 32 -7.448 -1.403 -3.479 239 1HB ALA 32 1HB ALA 32 -8.215 -2.094 -5.652 240 2HB ALA 32 2HB ALA 32 -6.443 -1.952 -5.623 241 3HB ALA 32 3HB ALA 32 -7.441 -0.695 -6.377 242 H SER 33 H SER 33 -6.792 1.426 -5.668 243 HA SER 33 HA SER 33 -4.127 1.436 -4.740 244 1HB SER 33 2HB SER 33 -5.562 3.465 -6.453 245 2HB SER 33 1HB SER 33 -3.812 3.350 -6.220 246 HG SER 33 HG SER 33 -5.361 2.040 -7.890 247 H ASP 34 H ASP 34 -7.005 2.975 -3.742 248 HA ASP 34 HA ASP 34 -5.895 5.105 -2.190 249 1HB ASP 34 2HB ASP 34 -8.365 4.897 -2.810 250 2HB ASP 34 1HB ASP 34 -8.433 3.518 -1.744 251 H ILE 35 H ILE 35 -6.776 1.768 -1.675 252 HA ILE 35 HA ILE 35 -6.048 1.475 1.034 253 HB ILE 35 HB ILE 35 -5.977 -0.590 -1.176 254 1HG1 ILE 35 2HG1 ILE 35 -8.162 0.005 0.823 255 2HG1 ILE 35 1HG1 ILE 35 -8.211 0.400 -0.895 256 1HG2 ILE 35 1HG2 ILE 35 -6.143 -2.208 0.629 257 2HG2 ILE 35 2HG2 ILE 35 -6.070 -0.893 1.803 258 3HG2 ILE 35 3HG2 ILE 35 -4.686 -1.223 0.763 259 1HD1 ILE 35 1HD1 ILE 35 -9.478 -1.611 -0.447 260 2HD1 ILE 35 2HD1 ILE 35 -8.061 -2.351 0.300 261 3HD1 ILE 35 3HD1 ILE 35 -8.057 -1.985 -1.424 262 H ALA 36 H ALA 36 -4.214 0.992 -1.988 263 HA ALA 36 HA ALA 36 -1.817 0.084 -0.998 264 1HB ALA 36 1HB ALA 36 -2.342 0.294 -3.402 265 2HB ALA 36 2HB ALA 36 -0.770 0.975 -3.005 266 3HB ALA 36 3HB ALA 36 -2.147 2.040 -3.275 267 H LYS 37 H LYS 37 -2.997 3.409 -1.041 268 HA LYS 37 HA LYS 37 -0.588 4.575 -0.078 269 1HB LYS 37 2HB LYS 37 -3.432 5.409 -0.252 270 2HB LYS 37 1HB LYS 37 -2.270 6.517 0.449 271 1HG LYS 37 2HG LYS 37 -2.277 5.407 -2.373 272 2HG LYS 37 1HG LYS 37 -2.810 7.016 -1.903 273 1HD LYS 37 2HD LYS 37 -0.510 7.512 -1.116 274 2HD LYS 37 1HD LYS 37 0.004 5.918 -1.673 275 1HE LYS 37 2HE LYS 37 -0.554 6.489 -3.954 276 2HE LYS 37 1HE LYS 37 -1.208 8.047 -3.448 277 1HZ LYS 37 1HZ LYS 37 1.016 8.317 -4.349 278 2HZ LYS 37 2HZ LYS 37 1.682 7.243 -3.251 279 3HZ LYS 37 3HZ LYS 37 0.972 8.692 -2.738 280 H HIS 38 H HIS 38 -3.500 3.278 1.332 281 HA HIS 38 HA HIS 38 -3.066 4.194 3.974 282 1HB HIS 38 2HB HIS 38 -5.298 3.623 3.208 283 2HB HIS 38 1HB HIS 38 -4.823 1.948 2.960 284 HD1 HIS 38 1HD HIS 38 -6.116 4.273 5.494 285 HD2 HIS 38 2HD HIS 38 -4.413 0.499 5.430 286 HE1 HIS 38 1HE HIS 38 -6.579 3.294 7.761 287 HE2 HIS 38 2HE HIS 38 -5.311 1.124 7.768 288 H VAL 39 H VAL 39 -2.520 1.034 2.412 289 HA VAL 39 HA VAL 39 -1.556 -0.280 4.701 290 HB VAL 39 HB VAL 39 -0.654 -1.988 3.143 291 1HG1 VAL 39 1HG1 VAL 39 -2.869 -2.656 2.310 292 2HG1 VAL 39 2HG1 VAL 39 -3.469 -1.030 2.584 293 3HG1 VAL 39 3HG1 VAL 39 -2.981 -2.024 3.945 294 1HG2 VAL 39 1HG2 VAL 39 -0.064 -0.473 1.287 295 2HG2 VAL 39 2HG2 VAL 39 -1.806 -0.159 1.094 296 3HG2 VAL 39 3HG2 VAL 39 -1.171 -1.766 0.779 297 H TYR 40 H TYR 40 -0.058 1.688 2.341 298 HA TYR 40 HA TYR 40 2.652 1.222 2.908 299 1HB TYR 40 2HB TYR 40 2.088 2.477 0.960 300 2HB TYR 40 1HB TYR 40 1.195 3.661 1.902 301 HD1 TYR 40 1HD TYR 40 2.253 5.591 2.698 302 HD2 TYR 40 2HD TYR 40 4.615 2.373 1.257 303 HE1 TYR 40 1HE TYR 40 4.251 7.004 2.847 304 HE2 TYR 40 2HE TYR 40 6.618 3.783 1.393 305 HH TYR 40 HH TYR 40 7.283 6.052 1.512 306 H ASP 41 H ASP 41 0.456 3.722 4.290 307 HA ASP 41 HA ASP 41 1.267 3.625 6.931 308 1HB ASP 41 2HB ASP 41 3.541 4.304 6.058 309 2HB ASP 41 1HB ASP 41 2.814 5.784 5.450 310 H ASN 42 H ASN 42 -0.438 4.591 7.846 311 HA ASN 42 HA ASN 42 -2.022 6.146 8.421 312 1HB ASN 42 2HB ASN 42 -0.196 7.853 8.136 313 2HB ASN 42 1HB ASN 42 -0.586 7.959 6.433 314 1HD2 ASN 42 1HD2 ASN 42 -0.987 10.131 6.535 315 2HD2 ASN 42 2HD2 ASN 42 -2.374 10.812 7.296 316 H TRP 43 H TRP 43 -3.871 7.511 7.293 317 HA TRP 43 HA TRP 43 -4.586 6.045 4.880 318 1HB TRP 43 2HB TRP 43 -6.953 6.553 5.380 319 2HB TRP 43 1HB TRP 43 -6.196 5.674 6.694 320 HD1 TRP 43 HD TRP 43 -5.543 7.261 8.914 321 HE1 TRP 43 1HE TRP 43 -6.862 9.231 9.900 322 HE3 TRP 43 3HE TRP 43 -8.435 8.419 4.855 323 HZ2 TRP 43 2HZ TRP 43 -8.872 11.036 9.077 324 HZ3 TRP 43 3HZ TRP 43 -10.034 10.278 5.044 325 HH2 TRP 43 HH TRP 43 -10.247 11.558 7.114 326 HA PRO 44 HA PRO 44 -3.903 9.826 2.788 327 1HB PRO 44 2HB PRO 44 -5.070 9.236 0.411 328 2HB PRO 44 1HB PRO 44 -3.499 8.585 0.898 329 1HG PRO 44 2HG PRO 44 -6.197 7.278 1.044 330 2HG PRO 44 1HG PRO 44 -4.665 6.602 0.505 331 1HD PRO 44 2HD PRO 44 -5.664 6.128 2.945 332 2HD PRO 44 1HD PRO 44 -3.920 6.249 2.623 333 H MET 45 H MET 45 -5.230 11.149 4.038 334 HA MET 45 HA MET 45 -8.031 11.487 3.356 335 1HB MET 45 2HB MET 45 -7.261 11.944 5.644 336 2HB MET 45 1HB MET 45 -6.141 13.155 5.065 337 1HG MET 45 2HG MET 45 -8.044 14.518 4.321 338 2HG MET 45 1HG MET 45 -9.134 13.290 4.971 339 1HE MET 45 1HE MET 45 -9.467 16.290 7.495 340 2HE MET 45 2HE MET 45 -10.316 15.248 6.351 341 3HE MET 45 3HE MET 45 -9.153 16.431 5.766 342 H ASP 46 H ASP 46 -4.971 12.786 2.666 343 HA ASP 46 HA ASP 46 -5.809 13.989 0.190 344 1HB ASP 46 2HB ASP 46 -6.041 15.863 1.856 345 2HB ASP 46 1HB ASP 46 -4.366 15.615 2.325 346 H TRP 47 H TRP 47 -3.158 14.222 2.475 347 HA TRP 47 HA TRP 47 -1.066 13.578 2.625 348 1HB TRP 47 2HB TRP 47 -2.268 11.345 2.541 349 2HB TRP 47 1HB TRP 47 -1.768 11.224 0.858 350 HD1 TRP 47 HD TRP 47 -0.112 11.658 4.338 351 HE1 TRP 47 1HE TRP 47 2.119 10.387 4.339 352 HE3 TRP 47 3HE TRP 47 -0.093 10.018 -0.493 353 HZ2 TRP 47 2HZ TRP 47 3.671 8.903 2.569 354 HZ3 TRP 47 3HZ TRP 47 1.832 8.654 -1.255 355 HH2 TRP 47 HH TRP 47 3.658 8.114 0.241 356 H GLU 48 H GLU 48 -2.042 14.927 -0.103 357 HA GLU 48 HA GLU 48 -1.021 16.057 -1.780 358 1HB GLU 48 2HB GLU 48 0.731 16.382 0.104 359 2HB GLU 48 1HB GLU 48 1.643 15.108 -0.664 360 1HG GLU 48 2HG GLU 48 0.941 17.777 -1.875 361 2HG GLU 48 1HG GLU 48 2.492 17.324 -1.191 362 H GLU 49 H GLU 49 -1.107 15.342 -3.838 363 HA GLU 49 HA GLU 49 -0.503 12.541 -4.355 364 1HB GLU 49 2HB GLU 49 -1.939 14.556 -6.079 365 2HB GLU 49 1HB GLU 49 -1.746 12.851 -6.452 366 1HG GLU 49 2HG GLU 49 -3.075 12.247 -4.532 367 2HG GLU 49 1HG GLU 49 -3.192 13.942 -4.054 368 H GLU 50 H GLU 50 1.821 12.963 -4.257 369 HA GLU 50 HA GLU 50 3.817 13.550 -5.032 370 1HB GLU 50 2HB GLU 50 2.614 11.927 -7.236 371 2HB GLU 50 1HB GLU 50 4.261 12.514 -7.386 372 1HG GLU 50 2HG GLU 50 4.277 10.259 -6.564 373 2HG GLU 50 1HG GLU 50 4.889 11.327 -5.356 374 H GLN 51 H GLN 51 3.369 15.747 -4.838 375 HA GLN 51 HA GLN 51 3.704 17.869 -5.401 376 1HB GLN 51 2HB GLN 51 5.027 16.717 -7.867 377 2HB GLN 51 1HB GLN 51 5.157 18.390 -7.347 378 1HG GLN 51 2HG GLN 51 6.200 17.647 -5.248 379 2HG GLN 51 1HG GLN 51 6.115 15.983 -5.812 380 1HE2 GLN 51 1HE2 GLN 51 8.303 15.718 -5.733 381 2HE2 GLN 51 2HE2 GLN 51 9.396 16.454 -6.832 382 H VAL 52 H VAL 52 1.362 16.364 -6.293 383 HA VAL 52 HA VAL 52 -0.615 16.624 -7.363 384 HB VAL 52 HB VAL 52 0.287 19.492 -7.895 385 1HG1 VAL 52 1HG1 VAL 52 -2.096 20.065 -7.829 386 2HG1 VAL 52 2HG1 VAL 52 -2.501 18.364 -7.613 387 3HG1 VAL 52 3HG1 VAL 52 -1.750 18.905 -9.113 388 1HG2 VAL 52 1HG2 VAL 52 -1.117 18.384 -5.469 389 2HG2 VAL 52 2HG2 VAL 52 -0.730 20.086 -5.766 390 3HG2 VAL 52 3HG2 VAL 52 0.561 18.906 -5.559 391 H SER 53 H SER 53 2.031 16.186 -8.838 392 HA SER 53 HA SER 53 1.238 16.952 -11.533 393 1HB SER 53 2HB SER 53 3.514 17.553 -10.733 394 2HB SER 53 1HB SER 53 3.869 15.841 -10.534 395 HG SER 53 HG SER 53 4.266 15.723 -12.574 396 H SER 54 H SER 54 1.723 14.152 -9.459 397 HA SER 54 HA SER 54 0.939 12.499 -11.728 398 1HB SER 54 2HB SER 54 2.938 11.778 -9.584 399 2HB SER 54 1HB SER 54 2.381 10.701 -10.866 400 HG SER 54 HG SER 54 4.372 12.424 -10.975 401 HA PRO 55 HA PRO 55 -2.038 11.295 -8.507 402 1HB PRO 55 2HB PRO 55 -4.289 12.132 -9.818 403 2HB PRO 55 1HB PRO 55 -3.354 13.158 -8.729 404 1HG PRO 55 2HG PRO 55 -3.655 13.370 -11.605 405 2HG PRO 55 1HG PRO 55 -2.863 14.494 -10.494 406 1HD PRO 55 2HD PRO 55 -1.679 12.447 -12.241 407 2HD PRO 55 1HD PRO 55 -0.899 13.821 -11.435 408 H ASN 56 H ASN 56 -1.751 10.688 -11.893 409 HA ASN 56 HA ASN 56 -3.850 8.697 -12.070 410 1HB ASN 56 2HB ASN 56 -1.774 9.542 -14.112 411 2HB ASN 56 1HB ASN 56 -3.064 8.392 -14.418 412 1HD2 ASN 56 1HD2 ASN 56 -3.997 9.611 -16.026 413 2HD2 ASN 56 2HD2 ASN 56 -4.805 11.103 -15.726 414 H ILE 57 H ILE 57 -0.923 8.640 -10.742 415 HA ILE 57 HA ILE 57 0.121 6.269 -11.882 416 HB ILE 57 HB ILE 57 1.877 6.456 -10.192 417 1HG1 ILE 57 2HG1 ILE 57 1.979 8.647 -8.839 418 2HG1 ILE 57 1HG1 ILE 57 0.264 8.819 -9.163 419 1HG2 ILE 57 1HG2 ILE 57 2.062 7.616 -12.309 420 2HG2 ILE 57 2HG2 ILE 57 2.816 8.571 -11.037 421 3HG2 ILE 57 3HG2 ILE 57 1.216 9.012 -11.647 422 1HD1 ILE 57 1HD1 ILE 57 -0.169 6.758 -7.931 423 2HD1 ILE 57 2HD1 ILE 57 0.719 7.903 -6.921 424 3HD1 ILE 57 3HD1 ILE 57 1.555 6.545 -7.661 425 H LEU 58 H LEU 58 -2.353 6.716 -9.849 426 HA LEU 58 HA LEU 58 -1.950 4.445 -8.122 427 1HB LEU 58 2HB LEU 58 -4.396 6.091 -8.762 428 2HB LEU 58 1HB LEU 58 -4.324 4.867 -7.520 429 HG LEU 58 HG LEU 58 -2.761 7.448 -7.544 430 1HD1 LEU 58 1HD1 LEU 58 -5.090 6.547 -5.864 431 2HD1 LEU 58 2HD1 LEU 58 -5.135 7.769 -7.136 432 3HD1 LEU 58 3HD1 LEU 58 -4.198 8.054 -5.671 433 1HD2 LEU 58 1HD2 LEU 58 -1.524 5.654 -6.439 434 2HD2 LEU 58 2HD2 LEU 58 -2.939 5.284 -5.448 435 3HD2 LEU 58 3HD2 LEU 58 -2.122 6.833 -5.274 436 H ARG 59 H ARG 59 -2.021 2.445 -9.016 437 HA ARG 59 HA ARG 59 -4.176 1.852 -10.904 438 1HB ARG 59 2HB ARG 59 -2.030 2.612 -12.057 439 2HB ARG 59 1HB ARG 59 -1.306 1.161 -11.387 440 1HG ARG 59 2HG ARG 59 -1.861 0.734 -13.647 441 2HG ARG 59 1HG ARG 59 -3.001 -0.156 -12.619 442 1HD ARG 59 2HD ARG 59 -4.683 1.518 -12.973 443 2HD ARG 59 1HD ARG 59 -3.536 2.529 -13.850 444 HE ARG 59 HE ARG 59 -3.856 -0.052 -15.015 445 1HH1 ARG 59 1HH1 ARG 59 -5.200 3.236 -14.901 446 2HH1 ARG 59 2HH1 ARG 59 -6.011 3.072 -16.379 447 1HH2 ARG 59 1HH2 ARG 59 -4.998 -0.234 -17.085 448 2HH2 ARG 59 2HH2 ARG 59 -5.896 1.105 -17.609 449 H LEU 60 H LEU 60 -4.846 -0.291 -10.640 450 HA LEU 60 HA LEU 60 -3.298 -1.911 -8.734 451 1HB LEU 60 2HB LEU 60 -5.364 -3.156 -8.208 452 2HB LEU 60 1HB LEU 60 -5.448 -1.468 -7.762 453 HG LEU 60 HG LEU 60 -6.671 -2.380 -10.358 454 1HD1 LEU 60 1HD1 LEU 60 -8.785 -2.748 -9.144 455 2HD1 LEU 60 2HD1 LEU 60 -7.949 -2.500 -7.612 456 3HD1 LEU 60 3HD1 LEU 60 -7.546 -3.882 -8.629 457 1HD2 LEU 60 1HD2 LEU 60 -8.181 -0.526 -9.877 458 2HD2 LEU 60 2HD2 LEU 60 -6.499 -0.004 -9.899 459 3HD2 LEU 60 3HD2 LEU 60 -7.326 -0.220 -8.365 460 H ILE 61 H ILE 61 -2.772 -3.992 -9.178 461 HA ILE 61 HA ILE 61 -3.380 -4.955 -11.892 462 HB ILE 61 HB ILE 61 -1.208 -5.762 -9.996 463 1HG1 ILE 61 2HG1 ILE 61 -0.996 -4.059 -12.480 464 2HG1 ILE 61 1HG1 ILE 61 -0.859 -3.472 -10.826 465 1HG2 ILE 61 1HG2 ILE 61 -0.256 -6.932 -11.977 466 2HG2 ILE 61 2HG2 ILE 61 -1.679 -6.463 -12.906 467 3HG2 ILE 61 3HG2 ILE 61 -1.848 -7.551 -11.527 468 1HD1 ILE 61 1HD1 ILE 61 1.000 -5.437 -12.164 469 2HD1 ILE 61 2HD1 ILE 61 1.151 -4.838 -10.510 470 3HD1 ILE 61 3HD1 ILE 61 1.328 -3.730 -11.870 471 H TYR 62 H TYR 62 -5.004 -6.473 -11.771 472 HA TYR 62 HA TYR 62 -4.864 -8.222 -9.468 473 1HB TYR 62 2HB TYR 62 -7.106 -7.233 -9.696 474 2HB TYR 62 1HB TYR 62 -7.151 -7.735 -11.383 475 HD1 TYR 62 1HD TYR 62 -6.437 -9.532 -8.184 476 HD2 TYR 62 2HD TYR 62 -8.764 -9.271 -11.721 477 HE1 TYR 62 1HE TYR 62 -7.612 -11.571 -7.543 478 HE2 TYR 62 2HE TYR 62 -9.950 -11.290 -11.122 479 HH TYR 62 HH TYR 62 -9.687 -12.721 -8.000 480 H GLN 63 H GLN 63 -3.072 -9.127 -10.346 481 HA GLN 63 HA GLN 63 -1.828 -10.385 -11.676 482 1HB GLN 63 2HB GLN 63 -3.850 -12.302 -10.545 483 2HB GLN 63 1HB GLN 63 -2.371 -12.795 -11.400 484 1HG GLN 63 2HG GLN 63 -2.495 -11.053 -9.044 485 2HG GLN 63 1HG GLN 63 -2.045 -12.770 -9.037 486 1HE2 GLN 63 1HE2 GLN 63 -0.115 -13.389 -10.011 487 2HE2 GLN 63 2HE2 GLN 63 1.121 -12.233 -10.379 488 H GLY 64 H GLY 64 -1.733 -9.618 -13.559 489 1HA GLY 64 2HA GLY 64 -1.784 -10.785 -15.803 490 2HA GLY 64 1HA GLY 64 -3.529 -10.759 -15.572 491 H ARG 65 H ARG 65 -4.299 -8.436 -14.849 492 HA ARG 65 HA ARG 65 -2.915 -6.540 -16.588 493 1HB ARG 65 2HB ARG 65 -4.995 -5.746 -17.540 494 2HB ARG 65 1HB ARG 65 -4.783 -7.457 -17.871 495 1HG ARG 65 2HG ARG 65 -6.384 -7.964 -16.051 496 2HG ARG 65 1HG ARG 65 -6.599 -6.226 -15.815 497 1HD ARG 65 2HD ARG 65 -7.362 -6.017 -18.129 498 2HD ARG 65 1HD ARG 65 -7.200 -7.748 -18.358 499 HE ARG 65 HE ARG 65 -9.165 -6.369 -16.676 500 1HH1 ARG 65 1HH1 ARG 65 -8.045 -9.377 -18.173 501 2HH1 ARG 65 2HH1 ARG 65 -9.554 -10.158 -18.029 502 1HH2 ARG 65 1HH2 ARG 65 -11.231 -7.455 -16.491 503 2HH2 ARG 65 2HH2 ARG 65 -11.413 -9.037 -17.040 504 H PHE 66 H PHE 66 -3.325 -4.375 -16.220 505 HA PHE 66 HA PHE 66 -3.819 -3.633 -13.451 506 1HB PHE 66 2HB PHE 66 -3.156 -1.898 -15.879 507 2HB PHE 66 1HB PHE 66 -3.090 -1.436 -14.205 508 HD1 PHE 66 1HD PHE 66 -1.548 -4.168 -16.303 509 HD2 PHE 66 2HD PHE 66 -0.965 -1.104 -13.400 510 HE1 PHE 66 1HE PHE 66 0.850 -4.647 -16.284 511 HE2 PHE 66 2HE PHE 66 1.450 -1.606 -13.383 512 HZ PHE 66 HZ PHE 66 2.347 -3.375 -14.825 513 H LEU 67 H LEU 67 -5.943 -3.174 -12.948 514 HA LEU 67 HA LEU 67 -7.894 -3.412 -15.074 515 1HB LEU 67 2HB LEU 67 -8.470 -2.595 -12.222 516 2HB LEU 67 1HB LEU 67 -9.627 -3.167 -13.391 517 HG LEU 67 HG LEU 67 -9.332 -4.943 -11.928 518 1HD1 LEU 67 1HD1 LEU 67 -9.356 -5.725 -14.125 519 2HD1 LEU 67 2HD1 LEU 67 -8.321 -6.732 -13.110 520 3HD1 LEU 67 3HD1 LEU 67 -7.600 -5.575 -14.236 521 1HD2 LEU 67 1HD2 LEU 67 -6.340 -4.564 -12.026 522 2HD2 LEU 67 2HD2 LEU 67 -7.234 -5.834 -11.168 523 3HD2 LEU 67 3HD2 LEU 67 -7.448 -4.179 -10.699 524 H HIS 68 H HIS 68 -7.066 -0.798 -12.870 525 HA HIS 68 HA HIS 68 -7.350 1.390 -14.514 526 1HB HIS 68 2HB HIS 68 -9.858 0.674 -12.970 527 2HB HIS 68 1HB HIS 68 -9.482 2.369 -13.241 528 HD1 HIS 68 1HD HIS 68 -11.653 -0.100 -14.471 529 HD2 HIS 68 2HD HIS 68 -9.093 2.611 -16.306 530 HE1 HIS 68 1HE HIS 68 -12.511 0.157 -16.774 531 HE2 HIS 68 2HE HIS 68 -11.152 2.059 -17.727 532 H GLY 69 H GLY 69 -8.249 3.220 -12.469 533 1HA GLY 69 2HA GLY 69 -5.888 3.078 -10.855 534 2HA GLY 69 1HA GLY 69 -7.030 4.395 -10.955 535 H ASN 70 H ASN 70 -9.414 3.003 -10.127 536 HA ASN 70 HA ASN 70 -8.691 2.277 -7.385 537 1HB ASN 70 2HB ASN 70 -10.424 4.585 -8.192 538 2HB ASN 70 1HB ASN 70 -10.660 3.798 -6.641 539 1HD2 ASN 70 1HD2 ASN 70 -9.832 6.508 -7.241 540 2HD2 ASN 70 2HD2 ASN 70 -8.300 6.720 -6.482 541 H VAL 71 H VAL 71 -9.685 0.671 -9.502 542 HA VAL 71 HA VAL 71 -12.424 0.107 -9.180 543 HB VAL 71 HB VAL 71 -10.138 -1.700 -10.073 544 1HG1 VAL 71 1HG1 VAL 71 -11.838 -3.234 -10.927 545 2HG1 VAL 71 2HG1 VAL 71 -13.110 -2.209 -10.266 546 3HG1 VAL 71 3HG1 VAL 71 -12.010 -3.062 -9.177 547 1HG2 VAL 71 1HG2 VAL 71 -10.994 -1.310 -12.270 548 2HG2 VAL 71 2HG2 VAL 71 -10.751 0.256 -11.430 549 3HG2 VAL 71 3HG2 VAL 71 -12.362 -0.436 -11.586 550 H THR 72 H THR 72 -13.510 -1.157 -7.785 551 HA THR 72 HA THR 72 -12.236 -1.623 -5.280 552 HB THR 72 HB THR 72 -14.511 -2.477 -4.642 553 HG1 THR 72 1HG THR 72 -15.519 -1.302 -6.974 554 1HG2 THR 72 1HG2 THR 72 -13.844 -0.159 -4.222 555 2HG2 THR 72 2HG2 THR 72 -15.549 -0.232 -4.657 556 3HG2 THR 72 3HG2 THR 72 -14.357 0.299 -5.844 557 H LEU 73 H LEU 73 -12.299 -3.635 -4.192 558 HA LEU 73 HA LEU 73 -11.243 -5.729 -5.679 559 1HB LEU 73 2HB LEU 73 -12.342 -5.747 -2.885 560 2HB LEU 73 1HB LEU 73 -11.351 -7.007 -3.571 561 HG LEU 73 HG LEU 73 -9.919 -5.823 -2.234 562 1HD1 LEU 73 1HD1 LEU 73 -8.298 -4.719 -3.693 563 2HD1 LEU 73 2HD1 LEU 73 -9.495 -4.728 -4.981 564 3HD1 LEU 73 3HD1 LEU 73 -8.895 -6.253 -4.325 565 1HD2 LEU 73 1HD2 LEU 73 -10.921 -3.190 -3.336 566 2HD2 LEU 73 2HD2 LEU 73 -9.653 -3.396 -2.135 567 3HD2 LEU 73 3HD2 LEU 73 -11.304 -3.867 -1.754 568 H GLY 74 H GLY 74 -14.450 -5.060 -4.398 569 1HA GLY 74 2HA GLY 74 -15.669 -7.534 -4.929 570 2HA GLY 74 1HA GLY 74 -16.501 -5.989 -4.837 571 H ALA 75 H ALA 75 -15.072 -4.727 -6.998 572 HA ALA 75 HA ALA 75 -16.684 -5.593 -9.162 573 1HB ALA 75 1HB ALA 75 -15.560 -3.841 -10.460 574 2HB ALA 75 2HB ALA 75 -14.340 -3.676 -9.210 575 3HB ALA 75 3HB ALA 75 -16.014 -3.233 -8.870 576 H LEU 76 H LEU 76 -13.700 -6.593 -8.003 577 HA LEU 76 HA LEU 76 -12.539 -7.550 -10.483 578 1HB LEU 76 2HB LEU 76 -11.838 -8.067 -7.625 579 2HB LEU 76 1HB LEU 76 -10.826 -8.462 -9.008 580 HG LEU 76 HG LEU 76 -11.588 -5.695 -8.072 581 1HD1 LEU 76 1HD1 LEU 76 -9.310 -5.544 -7.366 582 2HD1 LEU 76 2HD1 LEU 76 -8.988 -7.160 -7.980 583 3HD1 LEU 76 3HD1 LEU 76 -10.045 -6.955 -6.594 584 1HD2 LEU 76 1HD2 LEU 76 -9.885 -4.975 -9.615 585 2HD2 LEU 76 2HD2 LEU 76 -11.236 -5.759 -10.457 586 3HD2 LEU 76 3HD2 LEU 76 -9.703 -6.630 -10.206 587 H LYS 77 H LYS 77 -15.177 -8.548 -9.057 588 HA LYS 77 HA LYS 77 -16.425 -10.432 -8.987 589 1HB LYS 77 2HB LYS 77 -14.150 -11.751 -10.524 590 2HB LYS 77 1HB LYS 77 -15.688 -12.509 -10.198 591 1HG LYS 77 2HG LYS 77 -15.723 -11.812 -12.451 592 2HG LYS 77 1HG LYS 77 -16.740 -10.667 -11.584 593 1HD LYS 77 2HD LYS 77 -14.880 -9.057 -11.560 594 2HD LYS 77 1HD LYS 77 -13.866 -10.224 -12.403 595 1HE LYS 77 2HE LYS 77 -16.409 -8.998 -13.458 596 2HE LYS 77 1HE LYS 77 -14.773 -8.555 -13.933 597 1HZ LYS 77 1HZ LYS 77 -14.474 -10.816 -14.794 598 2HZ LYS 77 2HZ LYS 77 -15.736 -9.999 -15.539 599 3HZ LYS 77 3HZ LYS 77 -16.084 -11.188 -14.392 600 H LEU 78 H LEU 78 -14.276 -9.774 -7.031 601 HA LEU 78 HA LEU 78 -13.384 -12.305 -6.009 602 1HB LEU 78 2HB LEU 78 -13.212 -9.543 -4.843 603 2HB LEU 78 1HB LEU 78 -12.447 -10.960 -4.163 604 HG LEU 78 HG LEU 78 -11.832 -9.787 -6.859 605 1HD1 LEU 78 1HD1 LEU 78 -10.307 -9.682 -4.256 606 2HD1 LEU 78 2HD1 LEU 78 -11.101 -8.328 -5.079 607 3HD1 LEU 78 3HD1 LEU 78 -9.712 -9.112 -5.819 608 1HD2 LEU 78 1HD2 LEU 78 -11.459 -12.160 -6.788 609 2HD2 LEU 78 2HD2 LEU 78 -10.513 -11.991 -5.305 610 3HD2 LEU 78 3HD2 LEU 78 -9.923 -11.298 -6.815 611 HA PRO 79 HA PRO 79 -17.065 -12.695 -3.530 612 1HB PRO 79 2HB PRO 79 -16.629 -15.236 -2.753 613 2HB PRO 79 1HB PRO 79 -17.221 -14.847 -4.373 614 1HG PRO 79 2HG PRO 79 -14.458 -15.536 -3.481 615 2HG PRO 79 1HG PRO 79 -15.329 -16.051 -4.937 616 1HD PRO 79 2HD PRO 79 -13.478 -14.062 -4.878 617 2HD PRO 79 1HD PRO 79 -14.780 -14.140 -6.078 618 H PHE 80 H PHE 80 -17.405 -13.117 -1.300 619 HA PHE 80 HA PHE 80 -15.359 -11.960 0.356 620 1HB PHE 80 2HB PHE 80 -18.085 -13.069 1.085 621 2HB PHE 80 1HB PHE 80 -17.043 -12.083 2.092 622 HD1 PHE 80 1HD PHE 80 -17.072 -9.757 1.940 623 HD2 PHE 80 2HD PHE 80 -19.142 -12.080 -0.937 624 HE1 PHE 80 1HE PHE 80 -18.228 -7.748 1.158 625 HE2 PHE 80 2HE PHE 80 -20.298 -10.061 -1.746 626 HZ PHE 80 HZ PHE 80 -19.845 -7.895 -0.696 627 H GLY 81 H GLY 81 -14.779 -13.051 2.399 628 1HA GLY 81 2HA GLY 81 -14.443 -14.874 3.768 629 2HA GLY 81 1HA GLY 81 -15.300 -15.877 2.659 630 H LYS 82 H LYS 82 -12.978 -14.307 0.818 631 HA LYS 82 HA LYS 82 -11.110 -16.415 1.471 632 1HB LYS 82 2HB LYS 82 -10.650 -16.954 -0.887 633 2HB LYS 82 1HB LYS 82 -12.327 -17.205 -0.488 634 1HG LYS 82 2HG LYS 82 -12.297 -16.313 -2.665 635 2HG LYS 82 1HG LYS 82 -12.785 -14.981 -1.636 636 1HD LYS 82 2HD LYS 82 -10.614 -13.997 -1.721 637 2HD LYS 82 1HD LYS 82 -9.925 -15.432 -2.473 638 1HE LYS 82 2HE LYS 82 -11.977 -13.610 -3.726 639 2HE LYS 82 1HE LYS 82 -10.248 -13.573 -4.037 640 1HZ LYS 82 1HZ LYS 82 -11.441 -14.858 -5.771 641 2HZ LYS 82 2HZ LYS 82 -11.965 -15.961 -4.622 642 3HZ LYS 82 3HZ LYS 82 -10.348 -15.799 -4.933 643 H THR 83 H THR 83 -8.912 -16.171 0.689 644 HA THR 83 HA THR 83 -8.007 -13.494 1.350 645 HB THR 83 HB THR 83 -6.412 -16.026 0.901 646 HG1 THR 83 1HG THR 83 -7.761 -16.460 2.533 647 1HG2 THR 83 1HG2 THR 83 -4.749 -14.891 2.322 648 2HG2 THR 83 2HG2 THR 83 -5.806 -13.488 2.428 649 3HG2 THR 83 3HG2 THR 83 -5.096 -13.938 0.877 650 H THR 84 H THR 84 -7.430 -12.101 -0.206 651 HA THR 84 HA THR 84 -6.802 -13.188 -2.878 652 HB THR 84 HB THR 84 -7.868 -10.429 -2.225 653 HG1 THR 84 1HG THR 84 -9.370 -12.067 -1.732 654 1HG2 THR 84 1HG2 THR 84 -8.332 -10.343 -4.631 655 2HG2 THR 84 2HG2 THR 84 -7.692 -11.972 -4.820 656 3HG2 THR 84 3HG2 THR 84 -6.617 -10.658 -4.352 657 H VAL 85 H VAL 85 -4.850 -12.650 -3.780 658 HA VAL 85 HA VAL 85 -3.276 -10.584 -2.432 659 HB VAL 85 HB VAL 85 -2.159 -12.753 -2.183 660 1HG1 VAL 85 1HG1 VAL 85 -1.351 -14.044 -4.104 661 2HG1 VAL 85 2HG1 VAL 85 -2.201 -12.946 -5.191 662 3HG1 VAL 85 3HG1 VAL 85 -3.113 -13.947 -4.063 663 1HG2 VAL 85 1HG2 VAL 85 -0.763 -11.007 -4.208 664 2HG2 VAL 85 2HG2 VAL 85 0.019 -12.241 -3.224 665 3HG2 VAL 85 3HG2 VAL 85 -0.709 -10.829 -2.454 666 H MET 86 H MET 86 -2.698 -8.823 -3.563 667 HA MET 86 HA MET 86 -2.934 -8.921 -6.466 668 1HB MET 86 2HB MET 86 -4.276 -6.935 -4.669 669 2HB MET 86 1HB MET 86 -4.042 -6.708 -6.395 670 1HG MET 86 2HG MET 86 -5.334 -8.674 -6.845 671 2HG MET 86 1HG MET 86 -5.579 -8.947 -5.125 672 1HE MET 86 1HE MET 86 -5.542 -5.399 -6.921 673 2HE MET 86 2HE MET 86 -7.233 -5.369 -7.476 674 3HE MET 86 3HE MET 86 -6.124 -6.575 -8.098 675 H HIS 87 H HIS 87 -1.909 -7.263 -7.547 676 HA HIS 87 HA HIS 87 0.340 -6.183 -5.998 677 1HB HIS 87 2HB HIS 87 0.136 -6.540 -9.003 678 2HB HIS 87 1HB HIS 87 1.408 -5.764 -8.032 679 HD1 HIS 87 1HD HIS 87 3.399 -7.191 -7.684 680 HD2 HIS 87 2HD HIS 87 -0.056 -9.512 -8.058 681 HE1 HIS 87 1HE HIS 87 4.125 -9.567 -7.436 682 HE2 HIS 87 2HE HIS 87 2.009 -10.867 -7.333 683 H LEU 88 H LEU 88 0.690 -4.031 -5.900 684 HA LEU 88 HA LEU 88 -1.200 -2.349 -7.367 685 1HB LEU 88 2HB LEU 88 -0.093 -1.970 -4.577 686 2HB LEU 88 1HB LEU 88 -0.981 -0.745 -5.450 687 HG LEU 88 HG LEU 88 -2.411 -1.748 -3.815 688 1HD1 LEU 88 1HD1 LEU 88 -3.476 -1.092 -5.855 689 2HD1 LEU 88 2HD1 LEU 88 -4.265 -2.512 -5.168 690 3HD1 LEU 88 3HD1 LEU 88 -3.189 -2.687 -6.551 691 1HD2 LEU 88 1HD2 LEU 88 -1.332 -3.892 -3.497 692 2HD2 LEU 88 2HD2 LEU 88 -1.800 -4.394 -5.119 693 3HD2 LEU 88 3HD2 LEU 88 -3.036 -4.143 -3.891 694 H VAL 89 H VAL 89 -0.370 -0.521 -8.298 695 HA VAL 89 HA VAL 89 2.489 -0.220 -7.974 696 HB VAL 89 HB VAL 89 2.761 0.375 -10.359 697 1HG1 VAL 89 1HG1 VAL 89 3.317 -1.866 -9.668 698 2HG1 VAL 89 2HG1 VAL 89 2.619 -1.884 -11.287 699 3HG1 VAL 89 3HG1 VAL 89 1.647 -2.375 -9.902 700 1HG2 VAL 89 1HG2 VAL 89 1.021 -0.205 -11.980 701 2HG2 VAL 89 2HG2 VAL 89 0.530 1.057 -10.852 702 3HG2 VAL 89 3HG2 VAL 89 -0.077 -0.591 -10.644 703 H ALA 90 H ALA 90 3.246 1.655 -7.815 704 HA ALA 90 HA ALA 90 1.594 3.974 -8.295 705 1HB ALA 90 1HB ALA 90 3.174 3.421 -5.774 706 2HB ALA 90 2HB ALA 90 1.420 3.538 -5.899 707 3HB ALA 90 3HB ALA 90 2.419 4.965 -6.166 708 H ARG 91 H ARG 91 2.985 5.891 -8.752 709 HA ARG 91 HA ARG 91 5.594 5.013 -9.687 710 1HB ARG 91 2HB ARG 91 3.885 4.630 -11.450 711 2HB ARG 91 1HB ARG 91 3.431 6.314 -11.334 712 1HG ARG 91 2HG ARG 91 5.615 6.977 -12.129 713 2HG ARG 91 1HG ARG 91 6.101 5.277 -12.235 714 1HD ARG 91 2HD ARG 91 4.239 4.868 -13.787 715 2HD ARG 91 1HD ARG 91 3.823 6.573 -13.728 716 HE ARG 91 HE ARG 91 6.515 6.202 -14.468 717 1HH1 ARG 91 1HH1 ARG 91 3.218 6.030 -15.723 718 2HH1 ARG 91 2HH1 ARG 91 3.654 6.238 -17.356 719 1HH2 ARG 91 1HH2 ARG 91 7.122 6.465 -16.707 720 2HH2 ARG 91 2HH2 ARG 91 5.940 6.479 -17.936 721 H GLU 92 H GLU 92 7.055 6.595 -9.422 722 HA GLU 92 HA GLU 92 7.998 8.601 -8.710 723 1HB GLU 92 2HB GLU 92 6.724 9.386 -10.796 724 2HB GLU 92 1HB GLU 92 5.435 9.853 -9.705 725 1HG GLU 92 2HG GLU 92 6.872 11.456 -8.627 726 2HG GLU 92 1HG GLU 92 8.242 10.928 -9.607 727 H THR 93 H THR 93 6.042 6.978 -7.152 728 HA THR 93 HA THR 93 5.060 8.945 -5.370 729 HB THR 93 HB THR 93 3.742 6.882 -6.038 730 HG1 THR 93 1HG THR 93 3.252 8.173 -4.306 731 1HG2 THR 93 1HG2 THR 93 4.177 4.821 -4.723 732 2HG2 THR 93 2HG2 THR 93 5.644 5.560 -4.077 733 3HG2 THR 93 3HG2 THR 93 5.520 5.207 -5.801 734 H LEU 94 H LEU 94 5.419 8.072 -2.912 735 HA LEU 94 HA LEU 94 8.232 8.261 -2.444 736 1HB LEU 94 2HB LEU 94 5.945 7.857 -0.502 737 2HB LEU 94 1HB LEU 94 7.610 8.030 -0.012 738 HG LEU 94 HG LEU 94 7.591 10.338 -0.994 739 1HD1 LEU 94 1HD1 LEU 94 5.449 11.417 -1.439 740 2HD1 LEU 94 2HD1 LEU 94 4.631 9.866 -1.250 741 3HD1 LEU 94 3HD1 LEU 94 5.769 10.107 -2.573 742 1HD2 LEU 94 1HD2 LEU 94 7.305 9.987 1.387 743 2HD2 LEU 94 2HD2 LEU 94 5.570 9.764 1.164 744 3HD2 LEU 94 3HD2 LEU 94 6.305 11.335 0.843 745 HA PRO 95 HA PRO 95 8.905 3.863 -2.104 746 1HB PRO 95 2HB PRO 95 11.402 3.916 -1.094 747 2HB PRO 95 1HB PRO 95 11.094 4.386 -2.769 748 1HG PRO 95 2HG PRO 95 11.530 6.113 -0.367 749 2HG PRO 95 1HG PRO 95 12.156 6.311 -2.013 750 1HD PRO 95 2HD PRO 95 9.987 7.671 -1.026 751 2HD PRO 95 1HD PRO 95 10.237 7.320 -2.746 752 H GLU 96 H GLU 96 9.897 2.420 -0.169 753 HA GLU 96 HA GLU 96 8.248 3.005 2.069 754 1HB GLU 96 2HB GLU 96 8.744 0.667 1.253 755 2HB GLU 96 1HB GLU 96 10.403 0.900 1.767 756 1HG GLU 96 2HG GLU 96 8.206 1.120 3.788 757 2HG GLU 96 1HG GLU 96 8.706 -0.460 3.223 758 HA PRO 97 HA PRO 97 9.906 6.294 4.196 759 1HB PRO 97 2HB PRO 97 10.569 4.279 6.298 760 2HB PRO 97 1HB PRO 97 9.828 5.878 6.459 761 1HG PRO 97 2HG PRO 97 8.453 3.437 6.203 762 2HG PRO 97 1HG PRO 97 7.749 5.057 6.051 763 1HD PRO 97 2HD PRO 97 7.917 3.152 4.015 764 2HD PRO 97 1HD PRO 97 7.642 4.886 3.754 765 H ASN 98 H ASN 98 12.041 3.690 5.173 766 HA ASN 98 HA ASN 98 14.356 4.863 3.858 767 1HB ASN 98 2HB ASN 98 14.079 6.229 5.987 768 2HB ASN 98 1HB ASN 98 14.208 4.747 6.912 769 1HD2 ASN 98 1HD2 ASN 98 16.225 3.882 7.255 770 2HD2 ASN 98 2HD2 ASN 98 17.711 4.672 6.852 771 H SER 99 H SER 99 12.724 2.467 3.898 772 HA SER 99 HA SER 99 12.704 0.266 4.135 773 1HB SER 99 2HB SER 99 15.715 0.611 4.249 774 2HB SER 99 1HB SER 99 14.919 -0.958 4.115 775 HG SER 99 HG SER 99 15.227 1.071 2.261 776 H GLN 100 H GLN 100 11.848 1.403 6.066 777 HA GLN 100 HA GLN 100 13.180 0.814 8.573 778 1HB GLN 100 2HB GLN 100 12.068 2.988 8.190 779 2HB GLN 100 1HB GLN 100 10.562 2.161 7.903 780 1HG GLN 100 2HG GLN 100 10.398 1.510 10.186 781 2HG GLN 100 1HG GLN 100 12.039 2.074 10.514 782 1HE2 GLN 100 1HE2 GLN 100 8.734 3.102 9.865 783 2HE2 GLN 100 2HE2 GLN 100 8.973 4.721 10.380 784 H GLY 101 H GLY 101 10.797 -0.400 6.430 785 1HA GLY 101 2HA GLY 101 9.785 -2.484 6.436 786 2HA GLY 101 1HA GLY 101 10.421 -2.758 8.054 787 H GLN 102 H GLN 102 9.280 -0.109 8.818 788 HA GLN 102 HA GLN 102 6.776 -1.184 9.717 789 1HB GLN 102 2HB GLN 102 8.165 0.053 11.278 790 2HB GLN 102 1HB GLN 102 8.073 1.479 10.259 791 1HG GLN 102 2HG GLN 102 5.642 1.572 10.628 792 2HG GLN 102 1HG GLN 102 5.766 0.175 11.694 793 1HE2 GLN 102 1HE2 GLN 102 4.982 1.338 13.431 794 2HE2 GLN 102 2HE2 GLN 102 5.926 2.523 14.246 795 H ARG 103 H ARG 103 5.128 -1.106 8.453 796 HA ARG 103 HA ARG 103 4.545 1.397 7.094 797 1HB ARG 103 2HB ARG 103 3.427 0.064 5.321 798 2HB ARG 103 1HB ARG 103 5.132 -0.323 5.439 799 1HG ARG 103 2HG ARG 103 4.322 -2.274 6.922 800 2HG ARG 103 1HG ARG 103 2.752 -1.958 6.180 801 1HD ARG 103 2HD ARG 103 3.873 -3.646 4.877 802 2HD ARG 103 1HD ARG 103 3.849 -2.150 3.942 803 HE ARG 103 HE ARG 103 6.155 -1.804 4.843 804 1HH1 ARG 103 1HH1 ARG 103 4.864 -5.091 4.285 805 2HH1 ARG 103 2HH1 ARG 103 6.364 -5.825 4.111 806 1HH2 ARG 103 1HH2 ARG 103 8.312 -2.873 4.602 807 2HH2 ARG 103 2HH2 ARG 103 8.368 -4.533 4.321 808 H ASN 104 H ASN 104 2.862 2.335 7.923 809 HA ASN 104 HA ASN 104 1.753 0.966 10.133 810 1HB ASN 104 2HB ASN 104 1.578 3.845 9.415 811 2HB ASN 104 1HB ASN 104 0.590 3.158 10.700 812 1HD2 ASN 104 1HD2 ASN 104 3.739 4.134 9.739 813 2HD2 ASN 104 2HD2 ASN 104 4.526 3.866 11.242 814 H ARG 105 H ARG 105 0.257 -0.160 10.294 815 HA ARG 105 HA ARG 105 -2.041 -0.448 8.703 816 1HB ARG 105 2HB ARG 105 -1.245 -2.228 10.016 817 2HB ARG 105 1HB ARG 105 -1.150 -1.227 11.433 818 1HG ARG 105 2HG ARG 105 -3.509 -1.266 11.728 819 2HG ARG 105 1HG ARG 105 -3.740 -2.083 10.173 820 1HD ARG 105 2HD ARG 105 -2.842 -3.997 10.862 821 2HD ARG 105 1HD ARG 105 -1.932 -3.291 12.212 822 HE ARG 105 HE ARG 105 -4.453 -2.987 12.992 823 1HH1 ARG 105 1HH1 ARG 105 -2.916 -5.848 11.523 824 2HH1 ARG 105 2HH1 ARG 105 -3.851 -6.941 12.434 825 1HH2 ARG 105 1HH2 ARG 105 -5.691 -4.581 14.282 826 2HH2 ARG 105 2HH2 ARG 105 -5.373 -6.228 13.990 827 H GLU 106 H GLU 106 -1.152 1.495 11.424 828 HA GLU 106 HA GLU 106 -2.042 3.140 12.593 829 1HB GLU 106 2HB GLU 106 -2.682 4.239 10.514 830 2HB GLU 106 1HB GLU 106 -4.126 3.247 10.393 831 1HG GLU 106 2HG GLU 106 -4.546 5.571 11.149 832 2HG GLU 106 1HG GLU 106 -5.109 4.338 12.281 833 H LYS 107 H LYS 107 -2.586 2.514 14.454 834 HA LYS 107 HA LYS 107 -4.400 0.391 14.894 835 1HB LYS 107 2HB LYS 107 -3.059 2.246 16.851 836 2HB LYS 107 1HB LYS 107 -3.961 0.801 17.291 837 1HG LYS 107 2HG LYS 107 -2.395 -0.568 16.016 838 2HG LYS 107 1HG LYS 107 -1.502 0.879 15.568 839 1HD LYS 107 2HD LYS 107 -0.977 1.303 17.904 840 2HD LYS 107 1HD LYS 107 -1.912 -0.117 18.386 841 1HE LYS 107 2HE LYS 107 -0.420 -1.554 17.116 842 2HE LYS 107 1HE LYS 107 0.496 -0.152 16.573 843 1HZ LYS 107 1HZ LYS 107 1.109 0.266 18.885 844 2HZ LYS 107 2HZ LYS 107 1.607 -1.234 18.337 845 3HZ LYS 107 3HZ LYS 107 0.273 -1.139 19.370 846 H THR 108 H THR 108 -4.877 3.760 14.648 847 HA THR 108 HA THR 108 -7.380 3.521 16.103 848 HB THR 108 HB THR 108 -7.622 6.005 15.724 849 HG1 THR 108 1HG THR 108 -4.989 5.694 14.657 850 1HG2 THR 108 1HG2 THR 108 -5.872 6.647 17.334 851 2HG2 THR 108 2HG2 THR 108 -5.059 5.112 17.053 852 3HG2 THR 108 3HG2 THR 108 -6.656 5.138 17.804 853 H GLY 109 H GLY 109 -6.461 2.745 13.134 854 1HA GLY 109 2HA GLY 109 -9.178 2.864 12.143 855 2HA GLY 109 1HA GLY 109 -7.986 3.745 11.187 856 H GLU 110 H GLU 110 -7.746 0.751 12.979 857 HA GLU 110 HA GLU 110 -6.297 -0.408 10.763 858 1HB GLU 110 2HB GLU 110 -5.860 -2.268 12.271 859 2HB GLU 110 1HB GLU 110 -5.324 -0.707 12.886 860 1HG GLU 110 2HG GLU 110 -7.177 -0.615 14.399 861 2HG GLU 110 1HG GLU 110 -7.875 -2.069 13.689 862 H SER 111 H SER 111 -6.588 -2.774 10.366 863 HA SER 111 HA SER 111 -9.411 -3.359 9.890 864 1HB SER 111 2HB SER 111 -6.890 -4.483 8.667 865 2HB SER 111 1HB SER 111 -8.539 -4.859 8.172 866 HG SER 111 HG SER 111 -8.540 -3.197 7.022 867 H ASN 112 H ASN 112 -10.208 -4.731 11.430 868 HA ASN 112 HA ASN 112 -8.992 -7.157 12.163 869 1HB ASN 112 2HB ASN 112 -7.404 -5.644 13.337 870 2HB ASN 112 1HB ASN 112 -8.740 -4.891 14.181 871 1HD2 ASN 112 1HD2 ASN 112 -7.577 -5.372 16.059 872 2HD2 ASN 112 2HD2 ASN 112 -7.643 -6.955 16.778 873 H CYS 113 H CYS 113 -10.196 -7.950 14.318 874 HA CYS 113 HA CYS 113 -12.128 -8.561 15.296 875 1HB CYS 113 2HB CYS 113 -13.068 -5.780 14.508 876 2HB CYS 113 1HB CYS 113 -13.876 -6.833 15.661 877 HG CYS 113 HG CYS 113 -11.558 -6.900 17.354 878 H CYS 114 H CYS 114 -14.871 -7.823 14.411 879 HA CYS 114 HA CYS 114 -16.475 -8.593 13.009 880 1HB CYS 114 2HB CYS 114 -14.258 -8.603 10.923 881 2HB CYS 114 1HB CYS 114 -15.972 -8.775 10.575 882 HG CYS 114 HG CYS 114 -14.640 -5.985 12.030 883 H VAL 115 H VAL 115 -15.275 -10.320 14.688 884 HA VAL 115 HA VAL 115 -14.220 -12.646 13.457 885 HB VAL 115 HB VAL 115 -15.382 -12.400 16.227 886 1HG1 VAL 115 1HG1 VAL 115 -15.097 -14.708 15.543 887 2HG1 VAL 115 2HG1 VAL 115 -13.898 -14.291 16.767 888 3HG1 VAL 115 3HG1 VAL 115 -13.429 -14.389 15.072 889 1HG2 VAL 115 1HG2 VAL 115 -13.665 -10.722 15.903 890 2HG2 VAL 115 2HG2 VAL 115 -12.559 -11.950 15.285 891 3HG2 VAL 115 3HG2 VAL 115 -13.080 -11.999 16.968 892 H ILE 116 H ILE 116 -15.554 -13.442 11.988 893 HA ILE 116 HA ILE 116 -17.653 -15.066 13.068 894 HB ILE 116 HB ILE 116 -18.961 -13.177 12.282 895 1HG1 ILE 116 2HG1 ILE 116 -20.382 -14.228 10.525 896 2HG1 ILE 116 1HG1 ILE 116 -19.142 -15.457 10.304 897 1HG2 ILE 116 1HG2 ILE 116 -17.405 -12.109 10.804 898 2HG2 ILE 116 2HG2 ILE 116 -18.950 -12.361 9.987 899 3HG2 ILE 116 3HG2 ILE 116 -17.580 -13.414 9.628 900 1HD1 ILE 116 1HD1 ILE 116 -20.706 -14.958 12.827 901 2HD1 ILE 116 2HD1 ILE 116 -19.482 -16.206 12.599 902 3HD1 ILE 116 3HD1 ILE 116 -20.981 -16.262 11.673 903 H LEU 117 H LEU 117 -16.889 -16.948 12.689 904 HA LEU 117 HA LEU 117 -15.492 -17.350 10.202 905 1HB LEU 117 2HB LEU 117 -14.207 -19.187 11.295 906 2HB LEU 117 1HB LEU 117 -13.882 -17.601 11.930 907 HG LEU 117 HG LEU 117 -15.611 -19.668 13.330 908 1HD1 LEU 117 1HD1 LEU 117 -13.306 -20.442 13.102 909 2HD1 LEU 117 2HD1 LEU 117 -13.666 -20.015 14.775 910 3HD1 LEU 117 3HD1 LEU 117 -12.723 -18.916 13.768 911 1HD2 LEU 117 1HD2 LEU 117 -16.064 -17.347 14.068 912 2HD2 LEU 117 2HD2 LEU 117 -14.343 -17.105 14.327 913 3HD2 LEU 117 3HD2 LEU 117 -15.223 -18.263 15.318 Start of MODEL 17 1 H SER 2 H SER 2 -8.546 -8.446 13.924 2 HA SER 2 HA SER 2 -10.940 -9.980 13.605 3 1HB SER 2 2HB SER 2 -9.557 -8.851 11.148 4 2HB SER 2 1HB SER 2 -10.851 -10.048 11.143 5 HG SER 2 HG SER 2 -11.565 -7.947 12.609 6 H SER 3 H SER 3 -10.404 -12.079 13.482 7 HA SER 3 HA SER 3 -7.661 -12.745 12.736 8 1HB SER 3 2HB SER 3 -8.042 -12.962 15.196 9 2HB SER 3 1HB SER 3 -9.355 -14.086 14.868 10 HG SER 3 HG SER 3 -7.767 -15.408 13.802 11 H ASN 4 H ASN 4 -10.657 -12.738 11.707 12 HA ASN 4 HA ASN 4 -10.301 -14.983 9.939 13 1HB ASN 4 2HB ASN 4 -11.613 -15.967 11.812 14 2HB ASN 4 1HB ASN 4 -12.792 -14.671 11.664 15 1HD2 ASN 4 1HD2 ASN 4 -11.607 -17.628 10.295 16 2HD2 ASN 4 2HD2 ASN 4 -12.879 -17.876 9.173 17 H VAL 5 H VAL 5 -11.716 -14.685 8.039 18 HA VAL 5 HA VAL 5 -12.372 -11.858 7.697 19 HB VAL 5 HB VAL 5 -12.299 -14.008 5.597 20 1HG1 VAL 5 1HG1 VAL 5 -12.012 -11.037 5.409 21 2HG1 VAL 5 2HG1 VAL 5 -13.473 -11.941 5.036 22 3HG1 VAL 5 3HG1 VAL 5 -12.000 -12.158 4.050 23 1HG2 VAL 5 1HG2 VAL 5 -10.132 -13.925 6.682 24 2HG2 VAL 5 2HG2 VAL 5 -10.026 -12.180 6.351 25 3HG2 VAL 5 3HG2 VAL 5 -10.095 -13.355 5.020 26 HA PRO 6 HA PRO 6 -16.664 -13.357 7.907 27 1HB PRO 6 2HB PRO 6 -17.824 -10.944 8.155 28 2HB PRO 6 1HB PRO 6 -16.989 -11.712 9.516 29 1HG PRO 6 2HG PRO 6 -16.045 -9.554 7.681 30 2HG PRO 6 1HG PRO 6 -15.835 -9.703 9.432 31 1HD PRO 6 2HD PRO 6 -13.899 -10.355 7.603 32 2HD PRO 6 1HD PRO 6 -14.014 -11.079 9.218 33 H ALA 7 H ALA 7 -18.683 -12.789 6.598 34 HA ALA 7 HA ALA 7 -17.999 -12.488 3.873 35 1HB ALA 7 1HB ALA 7 -19.647 -14.131 4.586 36 2HB ALA 7 2HB ALA 7 -20.368 -12.977 3.465 37 3HB ALA 7 3HB ALA 7 -20.692 -12.850 5.192 38 H ASP 8 H ASP 8 -18.068 -10.198 5.969 39 HA ASP 8 HA ASP 8 -19.575 -8.337 4.270 40 1HB ASP 8 2HB ASP 8 -18.507 -7.870 7.070 41 2HB ASP 8 1HB ASP 8 -19.370 -6.681 6.115 42 H MET 9 H MET 9 -16.507 -9.505 4.844 43 HA MET 9 HA MET 9 -15.233 -7.029 3.885 44 1HB MET 9 2HB MET 9 -14.177 -8.907 5.998 45 2HB MET 9 1HB MET 9 -13.345 -7.494 5.366 46 1HG MET 9 2HG MET 9 -15.947 -7.419 6.864 47 2HG MET 9 1HG MET 9 -14.366 -7.205 7.624 48 1HE MET 9 1HE MET 9 -13.201 -3.797 6.181 49 2HE MET 9 2HE MET 9 -12.791 -5.390 5.564 50 3HE MET 9 3HE MET 9 -12.835 -5.112 7.302 51 H ILE 10 H ILE 10 -13.267 -7.434 2.714 52 HA ILE 10 HA ILE 10 -12.846 -10.207 1.952 53 HB ILE 10 HB ILE 10 -11.958 -9.340 -0.272 54 1HG1 ILE 10 2HG1 ILE 10 -13.084 -7.138 -1.008 55 2HG1 ILE 10 1HG1 ILE 10 -13.165 -6.799 0.716 56 1HG2 ILE 10 1HG2 ILE 10 -14.841 -8.941 0.288 57 2HG2 ILE 10 2HG2 ILE 10 -14.026 -10.427 -0.286 58 3HG2 ILE 10 3HG2 ILE 10 -14.102 -8.978 -1.308 59 1HD1 ILE 10 1HD1 ILE 10 -10.769 -7.330 -0.937 60 2HD1 ILE 10 2HD1 ILE 10 -10.725 -7.018 0.820 61 3HD1 ILE 10 3HD1 ILE 10 -11.266 -5.753 -0.321 62 H ASN 11 H ASN 11 -10.682 -10.957 1.825 63 HA ASN 11 HA ASN 11 -8.927 -9.278 3.453 64 1HB ASN 11 2HB ASN 11 -9.479 -11.730 3.991 65 2HB ASN 11 1HB ASN 11 -8.505 -12.136 2.628 66 1HD2 ASN 11 1HD2 ASN 11 -6.336 -12.025 2.733 67 2HD2 ASN 11 2HD2 ASN 11 -5.423 -11.737 4.149 68 H LEU 12 H LEU 12 -7.431 -8.125 2.448 69 HA LEU 12 HA LEU 12 -6.721 -8.980 -0.249 70 1HB LEU 12 2HB LEU 12 -8.138 -7.120 -0.421 71 2HB LEU 12 1HB LEU 12 -7.299 -6.261 0.844 72 HG LEU 12 HG LEU 12 -5.364 -5.993 -0.625 73 1HD1 LEU 12 1HD1 LEU 12 -5.539 -7.910 -1.976 74 2HD1 LEU 12 2HD1 LEU 12 -5.478 -6.458 -2.955 75 3HD1 LEU 12 3HD1 LEU 12 -7.026 -7.317 -2.753 76 1HD2 LEU 12 1HD2 LEU 12 -6.967 -4.273 -0.501 77 2HD2 LEU 12 2HD2 LEU 12 -7.984 -5.046 -1.709 78 3HD2 LEU 12 3HD2 LEU 12 -6.402 -4.388 -2.170 79 H ARG 13 H ARG 13 -4.705 -9.126 -0.749 80 HA ARG 13 HA ARG 13 -2.718 -8.208 1.172 81 1HB ARG 13 2HB ARG 13 -2.867 -10.653 0.553 82 2HB ARG 13 1HB ARG 13 -2.455 -10.186 -1.070 83 1HG ARG 13 2HG ARG 13 -0.297 -9.514 -0.464 84 2HG ARG 13 1HG ARG 13 -0.681 -9.589 1.261 85 1HD ARG 13 2HD ARG 13 -1.148 -11.959 1.033 86 2HD ARG 13 1HD ARG 13 -0.657 -11.897 -0.659 87 HE ARG 13 HE ARG 13 1.567 -11.360 0.086 88 1HH1 ARG 13 1HH1 ARG 13 -0.631 -12.642 2.602 89 2HH1 ARG 13 2HH1 ARG 13 0.651 -13.259 3.550 90 1HH2 ARG 13 1HH2 ARG 13 3.271 -12.215 1.419 91 2HH2 ARG 13 2HH2 ARG 13 2.886 -13.002 2.885 92 H LEU 14 H LEU 14 -1.734 -6.532 0.637 93 HA LEU 14 HA LEU 14 -1.767 -5.424 -2.099 94 1HB LEU 14 2HB LEU 14 -1.174 -3.927 0.566 95 2HB LEU 14 1HB LEU 14 -1.136 -3.199 -1.013 96 HG LEU 14 HG LEU 14 -3.009 -2.581 0.205 97 1HD1 LEU 14 1HD1 LEU 14 -3.211 -2.651 -2.196 98 2HD1 LEU 14 2HD1 LEU 14 -4.756 -3.077 -1.456 99 3HD1 LEU 14 3HD1 LEU 14 -3.730 -4.338 -2.138 100 1HD2 LEU 14 1HD2 LEU 14 -3.472 -4.513 1.634 101 2HD2 LEU 14 2HD2 LEU 14 -3.739 -5.487 0.217 102 3HD2 LEU 14 3HD2 LEU 14 -4.885 -4.195 0.605 103 H ILE 15 H ILE 15 0.084 -5.467 -3.315 104 HA ILE 15 HA ILE 15 2.569 -5.991 -1.859 105 HB ILE 15 HB ILE 15 2.284 -5.819 -4.865 106 1HG1 ILE 15 2HG1 ILE 15 0.729 -7.567 -4.016 107 2HG1 ILE 15 1HG1 ILE 15 2.025 -8.232 -5.005 108 1HG2 ILE 15 1HG2 ILE 15 4.542 -5.661 -4.044 109 2HG2 ILE 15 2HG2 ILE 15 4.348 -7.270 -4.761 110 3HG2 ILE 15 3HG2 ILE 15 4.273 -7.043 -3.009 111 1HD1 ILE 15 1HD1 ILE 15 1.479 -9.575 -3.104 112 2HD1 ILE 15 2HD1 ILE 15 1.892 -8.195 -2.033 113 3HD1 ILE 15 3HD1 ILE 15 3.130 -8.945 -3.074 114 H LEU 16 H LEU 16 3.686 -4.285 -1.333 115 HA LEU 16 HA LEU 16 3.058 -1.677 -2.365 116 1HB LEU 16 2HB LEU 16 5.188 -2.614 -0.431 117 2HB LEU 16 1HB LEU 16 4.995 -0.940 -0.887 118 HG LEU 16 HG LEU 16 2.741 -0.922 0.174 119 1HD1 LEU 16 1HD1 LEU 16 2.135 -3.271 -0.046 120 2HD1 LEU 16 2HD1 LEU 16 2.027 -2.732 1.630 121 3HD1 LEU 16 3HD1 LEU 16 3.400 -3.706 1.104 122 1HD2 LEU 16 1HD2 LEU 16 3.499 -1.015 2.489 123 2HD2 LEU 16 2HD2 LEU 16 4.673 -0.211 1.449 124 3HD2 LEU 16 3HD2 LEU 16 4.958 -1.866 1.982 125 H VAL 17 H VAL 17 4.668 -0.176 -3.327 126 HA VAL 17 HA VAL 17 6.001 -1.337 -5.563 127 HB VAL 17 HB VAL 17 6.227 1.473 -4.417 128 1HG1 VAL 17 1HG1 VAL 17 8.139 0.966 -5.881 129 2HG1 VAL 17 2HG1 VAL 17 7.065 2.148 -6.624 130 3HG1 VAL 17 3HG1 VAL 17 7.030 0.466 -7.158 131 1HG2 VAL 17 1HG2 VAL 17 4.570 0.389 -6.670 132 2HG2 VAL 17 2HG2 VAL 17 4.676 2.083 -6.179 133 3HG2 VAL 17 3HG2 VAL 17 3.973 0.887 -5.085 134 H SER 18 H SER 18 6.942 -0.647 -2.372 135 HA SER 18 HA SER 18 9.766 -0.587 -2.709 136 1HB SER 18 2HB SER 18 8.140 -1.305 -0.285 137 2HB SER 18 1HB SER 18 9.757 -0.587 -0.341 138 HG SER 18 HG SER 18 8.917 1.324 -0.855 139 H GLY 19 H GLY 19 7.529 -3.039 -3.124 140 1HA GLY 19 2HA GLY 19 7.852 -5.249 -3.557 141 2HA GLY 19 1HA GLY 19 9.517 -5.140 -3.032 142 H LYS 20 H LYS 20 7.387 -3.775 -0.877 143 HA LYS 20 HA LYS 20 7.762 -5.978 0.968 144 1HB LYS 20 2HB LYS 20 6.443 -3.281 1.375 145 2HB LYS 20 1HB LYS 20 6.787 -4.437 2.645 146 1HG LYS 20 2HG LYS 20 8.819 -2.954 0.969 147 2HG LYS 20 1HG LYS 20 8.410 -2.613 2.649 148 1HD LYS 20 2HD LYS 20 9.678 -5.150 1.596 149 2HD LYS 20 1HD LYS 20 10.513 -3.856 2.434 150 1HE LYS 20 2HE LYS 20 9.183 -4.268 4.455 151 2HE LYS 20 1HE LYS 20 8.282 -5.524 3.620 152 1HZ LYS 20 1HZ LYS 20 11.202 -5.604 4.164 153 2HZ LYS 20 2HZ LYS 20 10.309 -6.835 3.445 154 3HZ LYS 20 3HZ LYS 20 10.035 -6.414 5.052 155 H THR 21 H THR 21 6.197 -7.376 1.470 156 HA THR 21 HA THR 21 3.653 -6.963 0.125 157 HB THR 21 HB THR 21 3.426 -9.371 0.308 158 HG1 THR 21 1HG THR 21 4.930 -9.543 2.173 159 1HG2 THR 21 1HG2 THR 21 5.180 -9.963 -1.360 160 2HG2 THR 21 2HG2 THR 21 5.988 -8.432 -0.993 161 3HG2 THR 21 3HG2 THR 21 4.367 -8.437 -1.688 162 H LYS 22 H LYS 22 1.880 -6.736 1.358 163 HA LYS 22 HA LYS 22 1.889 -7.836 4.033 164 1HB LYS 22 2HB LYS 22 2.930 -5.606 4.297 165 2HB LYS 22 1HB LYS 22 1.504 -4.872 3.586 166 1HG LYS 22 2HG LYS 22 0.166 -5.494 5.470 167 2HG LYS 22 1HG LYS 22 1.477 -6.477 6.122 168 1HD LYS 22 2HD LYS 22 1.263 -4.315 7.272 169 2HD LYS 22 1HD LYS 22 2.826 -4.515 6.490 170 1HE LYS 22 2HE LYS 22 2.129 -3.130 4.657 171 2HE LYS 22 1HE LYS 22 0.501 -2.990 5.311 172 1HZ LYS 22 1HZ LYS 22 3.005 -1.997 6.522 173 2HZ LYS 22 2HZ LYS 22 1.506 -1.915 7.270 174 3HZ LYS 22 3HZ LYS 22 1.790 -1.055 5.813 175 H GLU 23 H GLU 23 -0.236 -7.929 5.005 176 HA GLU 23 HA GLU 23 -2.355 -7.842 2.955 177 1HB GLU 23 2HB GLU 23 -1.176 -10.076 3.294 178 2HB GLU 23 1HB GLU 23 -1.862 -10.064 4.900 179 1HG GLU 23 2HG GLU 23 -4.095 -9.977 3.906 180 2HG GLU 23 1HG GLU 23 -3.346 -10.090 2.340 181 H PHE 24 H PHE 24 -4.291 -7.078 3.699 182 HA PHE 24 HA PHE 24 -4.890 -7.137 6.520 183 1HB PHE 24 2HB PHE 24 -4.763 -4.559 4.976 184 2HB PHE 24 1HB PHE 24 -5.697 -4.731 6.447 185 HD1 PHE 24 1HD PHE 24 -4.065 -6.091 8.301 186 HD2 PHE 24 2HD PHE 24 -2.906 -3.335 5.302 187 HE1 PHE 24 1HE PHE 24 -2.095 -5.487 9.627 188 HE2 PHE 24 2HE PHE 24 -0.925 -2.728 6.618 189 HZ PHE 24 HZ PHE 24 -0.516 -3.806 8.778 190 H LEU 25 H LEU 25 -7.064 -6.513 7.008 191 HA LEU 25 HA LEU 25 -8.886 -7.646 5.069 192 1HB LEU 25 2HB LEU 25 -8.924 -8.184 7.545 193 2HB LEU 25 1HB LEU 25 -9.438 -6.522 7.799 194 HG LEU 25 HG LEU 25 -11.466 -6.935 6.534 195 1HD1 LEU 25 1HD1 LEU 25 -10.483 -9.777 6.441 196 2HD1 LEU 25 2HD1 LEU 25 -10.672 -8.681 5.064 197 3HD1 LEU 25 3HD1 LEU 25 -12.084 -9.201 5.981 198 1HD2 LEU 25 1HD2 LEU 25 -11.467 -7.192 8.951 199 2HD2 LEU 25 2HD2 LEU 25 -10.961 -8.872 8.782 200 3HD2 LEU 25 3HD2 LEU 25 -12.548 -8.370 8.204 201 H PHE 26 H PHE 26 -10.112 -6.389 3.728 202 HA PHE 26 HA PHE 26 -10.692 -3.641 4.520 203 1HB PHE 26 2HB PHE 26 -9.633 -4.516 1.816 204 2HB PHE 26 1HB PHE 26 -10.356 -2.941 2.126 205 HD1 PHE 26 1HD PHE 26 -7.335 -4.976 2.427 206 HD2 PHE 26 2HD PHE 26 -9.241 -1.367 3.654 207 HE1 PHE 26 1HE PHE 26 -5.201 -4.105 3.129 208 HE2 PHE 26 2HE PHE 26 -7.064 -0.489 4.378 209 HZ PHE 26 HZ PHE 26 -5.027 -1.862 4.102 210 H SER 27 H SER 27 -12.451 -2.753 2.929 211 HA SER 27 HA SER 27 -14.389 -4.911 2.840 212 1HB SER 27 2HB SER 27 -16.105 -3.154 2.671 213 2HB SER 27 1HB SER 27 -15.075 -2.856 4.053 214 HG SER 27 HG SER 27 -13.860 -1.433 2.452 215 HA PRO 28 HA PRO 28 -14.127 -5.205 -1.537 216 1HB PRO 28 2HB PRO 28 -16.745 -5.703 -2.218 217 2HB PRO 28 1HB PRO 28 -15.662 -6.868 -1.409 218 1HG PRO 28 2HG PRO 28 -17.645 -5.024 -0.127 219 2HG PRO 28 1HG PRO 28 -17.487 -6.782 0.064 220 1HD PRO 28 2HD PRO 28 -16.398 -5.186 1.859 221 2HD PRO 28 1HD PRO 28 -15.488 -6.594 1.252 222 H ASN 29 H ASN 29 -15.886 -2.814 0.052 223 HA ASN 29 HA ASN 29 -16.783 -1.233 -2.184 224 1HB ASN 29 2HB ASN 29 -16.449 -0.500 0.730 225 2HB ASN 29 1HB ASN 29 -17.305 0.447 -0.473 226 1HD2 ASN 29 1HD2 ASN 29 -19.358 -0.238 -1.139 227 2HD2 ASN 29 2HD2 ASN 29 -20.251 -1.401 -0.248 228 H ASP 30 H ASP 30 -13.870 -1.649 -0.364 229 HA ASP 30 HA ASP 30 -12.822 0.953 -0.898 230 1HB ASP 30 2HB ASP 30 -11.478 -1.562 0.151 231 2HB ASP 30 1HB ASP 30 -10.624 -0.045 -0.079 232 H SER 31 H SER 31 -11.024 1.434 -2.281 233 HA SER 31 HA SER 31 -10.950 -0.371 -4.573 234 1HB SER 31 2HB SER 31 -10.236 1.618 -5.887 235 2HB SER 31 1HB SER 31 -11.819 1.835 -5.149 236 HG SER 31 HG SER 31 -11.044 3.466 -4.083 237 H ALA 32 H ALA 32 -9.076 -1.081 -5.356 238 HA ALA 32 HA ALA 32 -7.029 -1.735 -3.639 239 1HB ALA 32 1HB ALA 32 -7.582 -2.825 -5.765 240 2HB ALA 32 2HB ALA 32 -5.852 -2.496 -5.607 241 3HB ALA 32 3HB ALA 32 -6.888 -1.441 -6.595 242 H SER 33 H SER 33 -6.881 0.902 -6.106 243 HA SER 33 HA SER 33 -4.227 1.604 -5.560 244 1HB SER 33 2HB SER 33 -6.317 3.512 -6.692 245 2HB SER 33 1HB SER 33 -4.599 3.435 -7.006 246 HG SER 33 HG SER 33 -5.895 2.544 -8.636 247 H ASP 34 H ASP 34 -7.263 2.588 -4.091 248 HA ASP 34 HA ASP 34 -6.268 4.767 -2.474 249 1HB ASP 34 2HB ASP 34 -8.675 4.465 -3.054 250 2HB ASP 34 1HB ASP 34 -8.682 2.950 -2.175 251 H ILE 35 H ILE 35 -6.886 1.368 -1.996 252 HA ILE 35 HA ILE 35 -6.173 1.243 0.690 253 HB ILE 35 HB ILE 35 -6.042 -0.927 -1.396 254 1HG1 ILE 35 2HG1 ILE 35 -8.169 -0.198 0.612 255 2HG1 ILE 35 1HG1 ILE 35 -8.264 0.047 -1.130 256 1HG2 ILE 35 1HG2 ILE 35 -6.052 -1.072 1.593 257 2HG2 ILE 35 2HG2 ILE 35 -4.694 -1.458 0.536 258 3HG2 ILE 35 3HG2 ILE 35 -6.155 -2.455 0.506 259 1HD1 ILE 35 1HD1 ILE 35 -8.115 -2.359 -1.447 260 2HD1 ILE 35 2HD1 ILE 35 -9.517 -1.911 -0.462 261 3HD1 ILE 35 3HD1 ILE 35 -8.058 -2.567 0.297 262 H ALA 36 H ALA 36 -4.136 0.958 -2.193 263 HA ALA 36 HA ALA 36 -1.745 0.208 -1.141 264 1HB ALA 36 1HB ALA 36 -2.082 0.743 -3.514 265 2HB ALA 36 2HB ALA 36 -0.666 1.576 -2.867 266 3HB ALA 36 3HB ALA 36 -2.173 2.458 -3.112 267 H LYS 37 H LYS 37 -3.271 3.421 -0.861 268 HA LYS 37 HA LYS 37 -1.125 4.744 0.427 269 1HB LYS 37 2HB LYS 37 -4.019 5.065 0.187 270 2HB LYS 37 1HB LYS 37 -3.367 6.118 1.353 271 1HG LYS 37 2HG LYS 37 -3.556 7.397 -0.582 272 2HG LYS 37 1HG LYS 37 -1.875 6.899 -0.667 273 1HD LYS 37 2HD LYS 37 -2.408 5.186 -2.247 274 2HD LYS 37 1HD LYS 37 -4.139 5.486 -2.054 275 1HE LYS 37 2HE LYS 37 -2.123 7.456 -3.134 276 2HE LYS 37 1HE LYS 37 -3.265 6.518 -4.094 277 1HZ LYS 37 1HZ LYS 37 -3.994 8.642 -2.086 278 2HZ LYS 37 2HZ LYS 37 -5.076 7.642 -2.833 279 3HZ LYS 37 3HZ LYS 37 -4.203 8.718 -3.747 280 H HIS 38 H HIS 38 -3.874 2.940 1.485 281 HA HIS 38 HA HIS 38 -3.894 3.450 4.264 282 1HB HIS 38 2HB HIS 38 -5.606 2.359 2.597 283 2HB HIS 38 1HB HIS 38 -4.822 0.871 3.084 284 HD1 HIS 38 1HD HIS 38 -5.212 0.184 5.787 285 HD2 HIS 38 2HD HIS 38 -7.397 3.389 4.252 286 HE1 HIS 38 1HE HIS 38 -7.083 0.513 7.321 287 HE2 HIS 38 2HE HIS 38 -8.530 2.267 6.230 288 H VAL 39 H VAL 39 -2.525 0.837 2.294 289 HA VAL 39 HA VAL 39 -1.546 -0.551 4.556 290 HB VAL 39 HB VAL 39 -0.464 -2.083 2.973 291 1HG1 VAL 39 1HG1 VAL 39 -2.813 -2.327 3.751 292 2HG1 VAL 39 2HG1 VAL 39 -2.551 -2.978 2.155 293 3HG1 VAL 39 3HG1 VAL 39 -3.363 -1.438 2.337 294 1HG2 VAL 39 1HG2 VAL 39 -1.755 -0.316 0.929 295 2HG2 VAL 39 2HG2 VAL 39 -0.919 -1.835 0.597 296 3HG2 VAL 39 3HG2 VAL 39 -0.013 -0.428 1.183 297 H TYR 40 H TYR 40 -0.078 1.732 2.344 298 HA TYR 40 HA TYR 40 2.588 1.262 3.094 299 1HB TYR 40 2HB TYR 40 1.340 3.830 2.156 300 2HB TYR 40 1HB TYR 40 2.994 3.835 2.740 301 HD1 TYR 40 1HD TYR 40 4.574 2.076 1.649 302 HD2 TYR 40 2HD TYR 40 0.943 3.393 -0.100 303 HE1 TYR 40 1HE TYR 40 5.384 1.355 -0.554 304 HE2 TYR 40 2HE TYR 40 1.735 2.663 -2.309 305 HH TYR 40 HH TYR 40 3.883 2.276 -3.402 306 H ASP 41 H ASP 41 0.357 3.454 4.764 307 HA ASP 41 HA ASP 41 0.974 2.825 7.355 308 1HB ASP 41 2HB ASP 41 2.615 4.372 8.231 309 2HB ASP 41 1HB ASP 41 3.369 3.578 6.863 310 H ASN 42 H ASN 42 0.327 5.296 5.085 311 HA ASN 42 HA ASN 42 -1.036 6.922 7.049 312 1HB ASN 42 2HB ASN 42 -1.350 8.514 5.155 313 2HB ASN 42 1HB ASN 42 0.335 8.136 5.475 314 1HD2 ASN 42 1HD2 ASN 42 1.514 6.952 3.947 315 2HD2 ASN 42 2HD2 ASN 42 0.918 6.694 2.350 316 H TRP 43 H TRP 43 -3.191 7.812 6.358 317 HA TRP 43 HA TRP 43 -4.740 5.667 5.171 318 1HB TRP 43 2HB TRP 43 -5.568 7.766 7.181 319 2HB TRP 43 1HB TRP 43 -6.722 6.758 6.322 320 HD1 TRP 43 HD TRP 43 -6.079 3.957 6.693 321 HE1 TRP 43 1HE TRP 43 -5.680 2.801 8.944 322 HE3 TRP 43 3HE TRP 43 -4.850 8.055 9.493 323 HZ2 TRP 43 2HZ TRP 43 -4.970 3.536 11.573 324 HZ3 TRP 43 3HZ TRP 43 -4.328 7.721 11.879 325 HH2 TRP 43 HH TRP 43 -4.397 5.509 12.885 326 HA PRO 44 HA PRO 44 -5.272 8.563 1.766 327 1HB PRO 44 2HB PRO 44 -7.134 7.018 0.470 328 2HB PRO 44 1HB PRO 44 -5.390 6.811 0.335 329 1HG PRO 44 2HG PRO 44 -7.347 5.303 1.992 330 2HG PRO 44 1HG PRO 44 -5.937 4.709 1.124 331 1HD PRO 44 2HD PRO 44 -5.983 5.033 3.747 332 2HD PRO 44 1HD PRO 44 -4.525 5.281 2.802 333 H MET 45 H MET 45 -6.840 8.833 4.207 334 HA MET 45 HA MET 45 -9.086 10.237 3.009 335 1HB MET 45 2HB MET 45 -10.008 8.309 4.272 336 2HB MET 45 1HB MET 45 -9.129 8.820 5.703 337 1HG MET 45 2HG MET 45 -10.454 10.865 5.797 338 2HG MET 45 1HG MET 45 -11.323 10.376 4.343 339 1HE MET 45 1HE MET 45 -13.329 7.257 5.569 340 2HE MET 45 2HE MET 45 -11.754 7.254 4.788 341 3HE MET 45 3HE MET 45 -13.016 8.352 4.223 342 H ASP 46 H ASP 46 -7.562 11.786 2.833 343 HA ASP 46 HA ASP 46 -6.994 13.413 5.183 344 1HB ASP 46 2HB ASP 46 -5.080 11.743 4.805 345 2HB ASP 46 1HB ASP 46 -4.877 12.431 3.210 346 H TRP 47 H TRP 47 -5.263 15.061 3.527 347 HA TRP 47 HA TRP 47 -7.221 15.997 1.584 348 1HB TRP 47 2HB TRP 47 -4.808 17.396 2.767 349 2HB TRP 47 1HB TRP 47 -5.949 18.115 1.629 350 HD1 TRP 47 HD TRP 47 -5.497 17.350 5.295 351 HE1 TRP 47 1HE TRP 47 -7.517 18.229 6.612 352 HE3 TRP 47 3HE TRP 47 -8.548 18.530 1.381 353 HZ2 TRP 47 2HZ TRP 47 -10.074 19.283 6.062 354 HZ3 TRP 47 3HZ TRP 47 -10.770 19.462 1.860 355 HH2 TRP 47 HH TRP 47 -11.513 19.831 4.152 356 H GLU 48 H GLU 48 -4.062 14.699 2.059 357 HA GLU 48 HA GLU 48 -2.374 14.012 0.715 358 1HB GLU 48 2HB GLU 48 -4.549 13.730 -1.379 359 2HB GLU 48 1HB GLU 48 -2.974 12.965 -1.424 360 1HG GLU 48 2HG GLU 48 -3.522 11.641 0.519 361 2HG GLU 48 1HG GLU 48 -5.085 12.448 0.655 362 H GLU 49 H GLU 49 -1.331 16.027 0.687 363 HA GLU 49 HA GLU 49 -2.093 17.732 -1.510 364 1HB GLU 49 2HB GLU 49 -1.955 18.785 0.667 365 2HB GLU 49 1HB GLU 49 -0.264 18.329 0.800 366 1HG GLU 49 2HG GLU 49 0.295 19.743 -1.075 367 2HG GLU 49 1HG GLU 49 -1.408 20.144 -1.294 368 H GLU 50 H GLU 50 -1.311 16.568 -3.144 369 HA GLU 50 HA GLU 50 1.507 17.056 -3.616 370 1HB GLU 50 2HB GLU 50 1.289 14.677 -2.957 371 2HB GLU 50 1HB GLU 50 0.126 14.440 -4.244 372 1HG GLU 50 2HG GLU 50 2.361 13.624 -4.879 373 2HG GLU 50 1HG GLU 50 1.821 14.937 -5.923 374 H GLN 51 H GLN 51 1.855 17.799 -5.554 375 HA GLN 51 HA GLN 51 -0.458 18.320 -7.182 376 1HB GLN 51 2HB GLN 51 2.426 19.185 -7.566 377 2HB GLN 51 1HB GLN 51 1.110 19.644 -8.627 378 1HG GLN 51 2HG GLN 51 1.537 21.487 -7.154 379 2HG GLN 51 1HG GLN 51 0.001 20.765 -6.690 380 1HE2 GLN 51 1HE2 GLN 51 3.194 19.505 -5.888 381 2HE2 GLN 51 2HE2 GLN 51 3.061 19.746 -4.186 382 H VAL 52 H VAL 52 -1.094 16.578 -8.120 383 HA VAL 52 HA VAL 52 0.895 14.849 -9.302 384 HB VAL 52 HB VAL 52 -0.534 13.774 -7.663 385 1HG1 VAL 52 1HG1 VAL 52 -2.527 15.099 -7.785 386 2HG1 VAL 52 2HG1 VAL 52 -2.929 13.397 -8.016 387 3HG1 VAL 52 3HG1 VAL 52 -2.875 14.485 -9.403 388 1HG2 VAL 52 1HG2 VAL 52 0.284 12.387 -9.470 389 2HG2 VAL 52 2HG2 VAL 52 -1.120 12.799 -10.454 390 3HG2 VAL 52 3HG2 VAL 52 -1.323 11.853 -8.981 391 H SER 53 H SER 53 1.361 15.396 -11.252 392 HA SER 53 HA SER 53 -0.733 16.122 -13.148 393 1HB SER 53 2HB SER 53 1.329 17.524 -12.973 394 2HB SER 53 1HB SER 53 2.294 16.116 -13.405 395 HG SER 53 HG SER 53 0.340 17.410 -14.958 396 H SER 54 H SER 54 0.479 13.456 -11.892 397 HA SER 54 HA SER 54 0.519 11.832 -14.329 398 1HB SER 54 2HB SER 54 1.987 10.418 -12.802 399 2HB SER 54 1HB SER 54 2.670 11.954 -13.360 400 HG SER 54 HG SER 54 2.755 11.402 -10.938 401 HA PRO 55 HA PRO 55 -2.796 10.757 -10.788 402 1HB PRO 55 2HB PRO 55 -4.769 10.998 -12.951 403 2HB PRO 55 1HB PRO 55 -4.866 11.614 -11.294 404 1HG PRO 55 2HG PRO 55 -4.477 13.303 -13.309 405 2HG PRO 55 1HG PRO 55 -3.574 13.503 -11.798 406 1HD PRO 55 2HD PRO 55 -2.670 12.290 -14.387 407 2HD PRO 55 1HD PRO 55 -1.817 13.434 -13.328 408 H ASN 56 H ASN 56 -2.125 9.640 -13.931 409 HA ASN 56 HA ASN 56 -3.708 7.257 -13.853 410 1HB ASN 56 2HB ASN 56 -1.454 8.056 -15.702 411 2HB ASN 56 1HB ASN 56 -2.411 6.589 -15.884 412 1HD2 ASN 56 1HD2 ASN 56 -2.101 8.909 -17.667 413 2HD2 ASN 56 2HD2 ASN 56 -3.667 9.527 -17.933 414 H ILE 57 H ILE 57 -0.975 8.081 -12.118 415 HA ILE 57 HA ILE 57 0.297 5.556 -12.277 416 HB ILE 57 HB ILE 57 1.677 6.324 -10.369 417 1HG1 ILE 57 2HG1 ILE 57 1.506 8.820 -9.724 418 2HG1 ILE 57 1HG1 ILE 57 -0.072 8.813 -10.482 419 1HG2 ILE 57 1HG2 ILE 57 2.384 6.773 -12.596 420 2HG2 ILE 57 2HG2 ILE 57 2.790 8.161 -11.583 421 3HG2 ILE 57 3HG2 ILE 57 1.397 8.231 -12.662 422 1HD1 ILE 57 1HD1 ILE 57 0.728 7.187 -8.060 423 2HD1 ILE 57 2HD1 ILE 57 -0.849 7.189 -8.826 424 3HD1 ILE 57 3HD1 ILE 57 -0.244 8.659 -8.065 425 H LEU 58 H LEU 58 -2.380 6.760 -10.654 426 HA LEU 58 HA LEU 58 -2.412 4.779 -8.537 427 1HB LEU 58 2HB LEU 58 -4.599 6.559 -9.625 428 2HB LEU 58 1HB LEU 58 -4.744 5.540 -8.214 429 HG LEU 58 HG LEU 58 -2.913 7.931 -8.475 430 1HD1 LEU 58 1HD1 LEU 58 -5.469 7.546 -6.919 431 2HD1 LEU 58 2HD1 LEU 58 -5.265 8.561 -8.347 432 3HD1 LEU 58 3HD1 LEU 58 -4.423 8.963 -6.852 433 1HD2 LEU 58 1HD2 LEU 58 -1.974 6.223 -7.010 434 2HD2 LEU 58 2HD2 LEU 58 -3.500 6.115 -6.143 435 3HD2 LEU 58 3HD2 LEU 58 -2.548 7.599 -6.063 436 H ARG 59 H ARG 59 -2.132 2.877 -9.601 437 HA ARG 59 HA ARG 59 -4.540 1.930 -10.760 438 1HB ARG 59 2HB ARG 59 -3.381 0.929 -12.740 439 2HB ARG 59 1HB ARG 59 -3.596 2.683 -12.760 440 1HG ARG 59 2HG ARG 59 -1.210 2.879 -12.041 441 2HG ARG 59 1HG ARG 59 -1.061 1.132 -12.242 442 1HD ARG 59 2HD ARG 59 -1.733 1.355 -14.587 443 2HD ARG 59 1HD ARG 59 -1.863 3.099 -14.379 444 HE ARG 59 HE ARG 59 0.710 1.799 -13.868 445 1HH1 ARG 59 1HH1 ARG 59 -1.227 3.979 -15.876 446 2HH1 ARG 59 2HH1 ARG 59 0.068 4.551 -16.793 447 1HH2 ARG 59 1HH2 ARG 59 2.515 2.551 -15.141 448 2HH2 ARG 59 2HH2 ARG 59 2.276 3.706 -16.368 449 H LEU 60 H LEU 60 -4.510 -0.387 -11.209 450 HA LEU 60 HA LEU 60 -2.988 -1.669 -9.081 451 1HB LEU 60 2HB LEU 60 -5.065 -2.830 -8.427 452 2HB LEU 60 1HB LEU 60 -5.112 -1.101 -8.175 453 HG LEU 60 HG LEU 60 -6.315 -1.077 -10.487 454 1HD1 LEU 60 1HD1 LEU 60 -7.771 -2.981 -10.868 455 2HD1 LEU 60 2HD1 LEU 60 -6.866 -3.897 -9.658 456 3HD1 LEU 60 3HD1 LEU 60 -6.064 -3.334 -11.127 457 1HD2 LEU 60 1HD2 LEU 60 -7.281 -0.383 -8.338 458 2HD2 LEU 60 2HD2 LEU 60 -7.843 -2.063 -8.092 459 3HD2 LEU 60 3HD2 LEU 60 -8.433 -1.112 -9.433 460 H ILE 61 H ILE 61 -2.441 -3.773 -9.398 461 HA ILE 61 HA ILE 61 -3.006 -4.860 -12.049 462 HB ILE 61 HB ILE 61 -0.706 -5.336 -10.160 463 1HG1 ILE 61 2HG1 ILE 61 -0.751 -4.041 -12.869 464 2HG1 ILE 61 1HG1 ILE 61 -0.722 -3.161 -11.351 465 1HG2 ILE 61 1HG2 ILE 61 -1.253 -7.384 -11.422 466 2HG2 ILE 61 2HG2 ILE 61 0.269 -6.704 -11.995 467 3HG2 ILE 61 3HG2 ILE 61 -1.205 -6.475 -12.932 468 1HD1 ILE 61 1HD1 ILE 61 1.427 -5.014 -12.399 469 2HD1 ILE 61 2HD1 ILE 61 1.465 -4.163 -10.850 470 3HD1 ILE 61 3HD1 ILE 61 1.469 -3.247 -12.361 471 H TYR 62 H TYR 62 -4.379 -6.501 -11.965 472 HA TYR 62 HA TYR 62 -4.620 -8.021 -9.472 473 1HB TYR 62 2HB TYR 62 -6.745 -6.962 -10.092 474 2HB TYR 62 1HB TYR 62 -6.630 -7.640 -11.699 475 HD1 TYR 62 1HD TYR 62 -6.429 -9.131 -8.248 476 HD2 TYR 62 2HD TYR 62 -8.312 -9.201 -12.074 477 HE1 TYR 62 1HE TYR 62 -7.812 -11.043 -7.542 478 HE2 TYR 62 2HE TYR 62 -9.710 -11.100 -11.358 479 HH TYR 62 HH TYR 62 -9.437 -12.929 -9.725 480 H GLN 63 H GLN 63 -2.692 -9.043 -10.082 481 HA GLN 63 HA GLN 63 -1.415 -10.606 -11.022 482 1HB GLN 63 2HB GLN 63 -3.944 -12.064 -10.331 483 2HB GLN 63 1HB GLN 63 -2.519 -12.894 -10.944 484 1HG GLN 63 2HG GLN 63 -2.321 -11.036 -8.702 485 2HG GLN 63 1HG GLN 63 -2.785 -12.662 -8.312 486 1HE2 GLN 63 1HE2 GLN 63 -0.992 -13.546 -10.673 487 2HE2 GLN 63 2HE2 GLN 63 0.591 -13.452 -10.004 488 H GLY 64 H GLY 64 -1.057 -9.715 -12.954 489 1HA GLY 64 2HA GLY 64 -0.899 -10.868 -15.193 490 2HA GLY 64 1HA GLY 64 -2.658 -10.765 -15.159 491 H ARG 65 H ARG 65 -3.515 -8.496 -14.757 492 HA ARG 65 HA ARG 65 -1.862 -6.593 -16.297 493 1HB ARG 65 2HB ARG 65 -3.812 -5.899 -17.568 494 2HB ARG 65 1HB ARG 65 -3.479 -7.607 -17.816 495 1HG ARG 65 2HG ARG 65 -5.298 -8.250 -16.430 496 2HG ARG 65 1HG ARG 65 -5.508 -6.600 -15.848 497 1HD ARG 65 2HD ARG 65 -5.936 -7.514 -18.692 498 2HD ARG 65 1HD ARG 65 -7.204 -7.228 -17.502 499 HE ARG 65 HE ARG 65 -5.718 -4.903 -17.609 500 1HH1 ARG 65 1HH1 ARG 65 -7.722 -6.756 -19.839 501 2HH1 ARG 65 2HH1 ARG 65 -8.191 -5.404 -20.760 502 1HH2 ARG 65 1HH2 ARG 65 -6.363 -3.049 -18.862 503 2HH2 ARG 65 2HH2 ARG 65 -7.382 -3.274 -20.211 504 H PHE 66 H PHE 66 -2.897 -4.377 -16.315 505 HA PHE 66 HA PHE 66 -3.747 -3.561 -13.662 506 1HB PHE 66 2HB PHE 66 -3.392 -1.981 -16.213 507 2HB PHE 66 1HB PHE 66 -3.628 -1.289 -14.617 508 HD1 PHE 66 1HD PHE 66 -1.266 -2.970 -16.879 509 HD2 PHE 66 2HD PHE 66 -1.725 -1.019 -13.114 510 HE1 PHE 66 1HE PHE 66 1.172 -2.774 -16.678 511 HE2 PHE 66 2HE PHE 66 0.702 -0.831 -12.921 512 HZ PHE 66 HZ PHE 66 2.159 -1.704 -14.698 513 H LEU 67 H LEU 67 -5.902 -3.603 -13.268 514 HA LEU 67 HA LEU 67 -7.751 -4.089 -15.475 515 1HB LEU 67 2HB LEU 67 -8.405 -3.681 -12.577 516 2HB LEU 67 1HB LEU 67 -9.508 -4.230 -13.809 517 HG LEU 67 HG LEU 67 -7.111 -5.727 -12.768 518 1HD1 LEU 67 1HD1 LEU 67 -8.983 -5.625 -11.219 519 2HD1 LEU 67 2HD1 LEU 67 -8.813 -7.242 -11.866 520 3HD1 LEU 67 3HD1 LEU 67 -10.078 -6.182 -12.469 521 1HD2 LEU 67 1HD2 LEU 67 -7.923 -7.578 -14.154 522 2HD2 LEU 67 2HD2 LEU 67 -7.468 -6.192 -15.145 523 3HD2 LEU 67 3HD2 LEU 67 -9.170 -6.527 -14.819 524 H HIS 68 H HIS 68 -7.345 -1.518 -13.075 525 HA HIS 68 HA HIS 68 -8.215 0.568 -14.769 526 1HB HIS 68 2HB HIS 68 -10.422 -0.690 -14.261 527 2HB HIS 68 1HB HIS 68 -10.166 -0.212 -12.590 528 HD1 HIS 68 1HD HIS 68 -11.600 0.939 -15.743 529 HD2 HIS 68 2HD HIS 68 -10.278 2.679 -12.235 530 HE1 HIS 68 1HE HIS 68 -12.648 3.227 -15.706 531 HE2 HIS 68 2HE HIS 68 -11.912 4.247 -13.539 532 H GLY 69 H GLY 69 -8.138 2.557 -13.569 533 1HA GLY 69 2HA GLY 69 -6.024 2.578 -11.738 534 2HA GLY 69 1HA GLY 69 -6.995 3.930 -12.241 535 H ASN 70 H ASN 70 -9.106 1.670 -10.776 536 HA ASN 70 HA ASN 70 -8.808 2.378 -8.068 537 1HB ASN 70 2HB ASN 70 -9.149 4.696 -9.107 538 2HB ASN 70 1HB ASN 70 -10.771 4.189 -9.537 539 1HD2 ASN 70 1HD2 ASN 70 -8.648 5.135 -6.980 540 2HD2 ASN 70 2HD2 ASN 70 -9.849 5.363 -5.762 541 H VAL 71 H VAL 71 -9.699 0.162 -9.792 542 HA VAL 71 HA VAL 71 -12.556 0.084 -9.408 543 HB VAL 71 HB VAL 71 -11.644 -0.938 -11.481 544 1HG1 VAL 71 1HG1 VAL 71 -9.545 -1.781 -10.806 545 2HG1 VAL 71 2HG1 VAL 71 -10.533 -3.130 -11.392 546 3HG1 VAL 71 3HG1 VAL 71 -10.316 -2.881 -9.658 547 1HG2 VAL 71 1HG2 VAL 71 -12.840 -3.046 -11.453 548 2HG2 VAL 71 2HG2 VAL 71 -13.759 -1.768 -10.641 549 3HG2 VAL 71 3HG2 VAL 71 -12.887 -2.980 -9.696 550 H THR 72 H THR 72 -13.678 -1.155 -7.964 551 HA THR 72 HA THR 72 -12.253 -1.541 -5.530 552 HB THR 72 HB THR 72 -14.522 -2.038 -4.618 553 HG1 THR 72 1HG THR 72 -16.213 -2.102 -5.908 554 1HG2 THR 72 1HG2 THR 72 -14.301 0.472 -6.293 555 2HG2 THR 72 2HG2 THR 72 -13.654 0.258 -4.664 556 3HG2 THR 72 3HG2 THR 72 -15.396 0.239 -4.929 557 H LEU 73 H LEU 73 -12.422 -3.434 -4.226 558 HA LEU 73 HA LEU 73 -11.604 -5.760 -5.512 559 1HB LEU 73 2HB LEU 73 -12.578 -5.219 -2.730 560 2HB LEU 73 1HB LEU 73 -11.989 -6.792 -3.224 561 HG LEU 73 HG LEU 73 -10.280 -5.631 -2.012 562 1HD1 LEU 73 1HD1 LEU 73 -9.601 -5.690 -4.908 563 2HD1 LEU 73 2HD1 LEU 73 -9.535 -7.042 -3.777 564 3HD1 LEU 73 3HD1 LEU 73 -8.448 -5.670 -3.582 565 1HD2 LEU 73 1HD2 LEU 73 -9.258 -3.544 -2.785 566 2HD2 LEU 73 2HD2 LEU 73 -10.951 -3.323 -2.346 567 3HD2 LEU 73 3HD2 LEU 73 -10.486 -3.417 -4.042 568 H GLY 74 H GLY 74 -14.789 -4.734 -4.376 569 1HA GLY 74 2HA GLY 74 -16.117 -7.217 -4.649 570 2HA GLY 74 1HA GLY 74 -16.885 -5.634 -4.681 571 H ALA 75 H ALA 75 -15.238 -4.758 -6.947 572 HA ALA 75 HA ALA 75 -16.921 -5.713 -9.054 573 1HB ALA 75 1HB ALA 75 -16.260 -3.352 -8.913 574 2HB ALA 75 2HB ALA 75 -15.715 -4.080 -10.428 575 3HB ALA 75 3HB ALA 75 -14.576 -3.819 -9.121 576 H LEU 76 H LEU 76 -13.949 -6.635 -7.712 577 HA LEU 76 HA LEU 76 -12.777 -7.722 -10.102 578 1HB LEU 76 2HB LEU 76 -12.081 -8.140 -7.227 579 2HB LEU 76 1HB LEU 76 -11.066 -8.544 -8.604 580 HG LEU 76 HG LEU 76 -11.811 -5.819 -7.565 581 1HD1 LEU 76 1HD1 LEU 76 -10.168 -7.022 -6.337 582 2HD1 LEU 76 2HD1 LEU 76 -9.487 -5.620 -7.166 583 3HD1 LEU 76 3HD1 LEU 76 -9.209 -7.249 -7.797 584 1HD2 LEU 76 1HD2 LEU 76 -11.767 -5.695 -9.970 585 2HD2 LEU 76 2HD2 LEU 76 -10.255 -6.603 -9.978 586 3HD2 LEU 76 3HD2 LEU 76 -10.289 -4.981 -9.294 587 H LYS 77 H LYS 77 -15.439 -8.634 -8.684 588 HA LYS 77 HA LYS 77 -16.717 -10.516 -8.658 589 1HB LYS 77 2HB LYS 77 -14.358 -11.887 -10.027 590 2HB LYS 77 1HB LYS 77 -15.931 -12.621 -9.803 591 1HG LYS 77 2HG LYS 77 -15.747 -11.917 -12.083 592 2HG LYS 77 1HG LYS 77 -16.871 -10.814 -11.296 593 1HD LYS 77 2HD LYS 77 -15.052 -9.169 -11.054 594 2HD LYS 77 1HD LYS 77 -13.942 -10.276 -11.843 595 1HE LYS 77 2HE LYS 77 -15.259 -10.175 -13.881 596 2HE LYS 77 1HE LYS 77 -16.439 -9.133 -13.092 597 1HZ LYS 77 1HZ LYS 77 -14.831 -7.882 -14.465 598 2HZ LYS 77 2HZ LYS 77 -13.572 -8.379 -13.485 599 3HZ LYS 77 3HZ LYS 77 -14.817 -7.431 -12.860 600 H LEU 78 H LEU 78 -14.498 -9.891 -6.658 601 HA LEU 78 HA LEU 78 -13.679 -12.391 -5.549 602 1HB LEU 78 2HB LEU 78 -13.536 -9.605 -4.453 603 2HB LEU 78 1HB LEU 78 -12.741 -10.984 -3.738 604 HG LEU 78 HG LEU 78 -12.189 -9.872 -6.470 605 1HD1 LEU 78 1HD1 LEU 78 -10.092 -9.105 -5.486 606 2HD1 LEU 78 2HD1 LEU 78 -10.589 -9.732 -3.915 607 3HD1 LEU 78 3HD1 LEU 78 -11.471 -8.394 -4.653 608 1HD2 LEU 78 1HD2 LEU 78 -10.259 -11.380 -6.449 609 2HD2 LEU 78 2HD2 LEU 78 -11.778 -12.271 -6.362 610 3HD2 LEU 78 3HD2 LEU 78 -10.802 -12.048 -4.912 611 HA PRO 79 HA PRO 79 -17.297 -12.796 -2.952 612 1HB PRO 79 2HB PRO 79 -16.619 -15.225 -1.935 613 2HB PRO 79 1HB PRO 79 -17.373 -15.037 -3.522 614 1HG PRO 79 2HG PRO 79 -14.539 -15.551 -2.811 615 2HG PRO 79 1HG PRO 79 -15.466 -16.135 -4.201 616 1HD PRO 79 2HD PRO 79 -13.653 -14.053 -4.257 617 2HD PRO 79 1HD PRO 79 -14.953 -14.289 -5.441 618 H PHE 80 H PHE 80 -17.553 -12.971 -0.613 619 HA PHE 80 HA PHE 80 -15.435 -11.483 0.655 620 1HB PHE 80 2HB PHE 80 -17.961 -12.486 1.952 621 2HB PHE 80 1HB PHE 80 -16.995 -11.075 2.381 622 HD1 PHE 80 1HD PHE 80 -16.759 -9.457 0.136 623 HD2 PHE 80 2HD PHE 80 -19.940 -12.032 1.177 624 HE1 PHE 80 1HE PHE 80 -18.282 -8.098 -1.256 625 HE2 PHE 80 2HE PHE 80 -21.498 -10.694 -0.227 626 HZ PHE 80 HZ PHE 80 -20.649 -8.722 -1.439 627 H GLY 81 H GLY 81 -14.416 -12.160 2.592 628 1HA GLY 81 2HA GLY 81 -13.653 -13.687 4.153 629 2HA GLY 81 1HA GLY 81 -14.730 -14.897 3.540 630 H LYS 82 H LYS 82 -12.995 -13.566 1.001 631 HA LYS 82 HA LYS 82 -11.089 -15.791 1.154 632 1HB LYS 82 2HB LYS 82 -12.212 -14.405 -1.283 633 2HB LYS 82 1HB LYS 82 -10.969 -15.643 -1.321 634 1HG LYS 82 2HG LYS 82 -13.793 -16.028 -0.311 635 2HG LYS 82 1HG LYS 82 -13.160 -16.537 -1.878 636 1HD LYS 82 2HD LYS 82 -11.574 -18.029 -0.773 637 2HD LYS 82 1HD LYS 82 -12.172 -17.508 0.801 638 1HE LYS 82 2HE LYS 82 -14.365 -18.411 0.306 639 2HE LYS 82 1HE LYS 82 -13.842 -18.854 -1.315 640 1HZ LYS 82 1HZ LYS 82 -13.821 -20.733 0.211 641 2HZ LYS 82 2HZ LYS 82 -12.691 -19.947 1.192 642 3HZ LYS 82 3HZ LYS 82 -12.280 -20.397 -0.375 643 H THR 83 H THR 83 -8.964 -15.488 0.542 644 HA THR 83 HA THR 83 -7.983 -12.788 0.899 645 HB THR 83 HB THR 83 -6.550 -15.445 0.767 646 HG1 THR 83 1HG THR 83 -7.921 -14.811 2.641 647 1HG2 THR 83 1HG2 THR 83 -5.100 -13.640 -0.026 648 2HG2 THR 83 2HG2 THR 83 -4.574 -14.188 1.564 649 3HG2 THR 83 3HG2 THR 83 -5.473 -12.682 1.404 650 H THR 84 H THR 84 -7.479 -11.611 -0.650 651 HA THR 84 HA THR 84 -6.811 -12.828 -3.266 652 HB THR 84 HB THR 84 -8.006 -10.091 -2.790 653 HG1 THR 84 1HG THR 84 -9.790 -11.198 -2.579 654 1HG2 THR 84 1HG2 THR 84 -6.690 -10.316 -4.861 655 2HG2 THR 84 2HG2 THR 84 -8.408 -10.165 -5.222 656 3HG2 THR 84 3HG2 THR 84 -7.625 -11.743 -5.302 657 H VAL 85 H VAL 85 -4.828 -12.341 -4.087 658 HA VAL 85 HA VAL 85 -3.318 -10.251 -2.739 659 HB VAL 85 HB VAL 85 -2.230 -12.443 -2.616 660 1HG1 VAL 85 1HG1 VAL 85 -1.424 -13.624 -4.612 661 2HG1 VAL 85 2HG1 VAL 85 -2.270 -12.460 -5.629 662 3HG1 VAL 85 3HG1 VAL 85 -3.184 -13.520 -4.557 663 1HG2 VAL 85 1HG2 VAL 85 -0.791 -10.602 -4.528 664 2HG2 VAL 85 2HG2 VAL 85 -0.037 -11.894 -3.594 665 3HG2 VAL 85 3HG2 VAL 85 -0.758 -10.512 -2.768 666 H MET 86 H MET 86 -2.873 -8.407 -3.741 667 HA MET 86 HA MET 86 -3.013 -8.398 -6.661 668 1HB MET 86 2HB MET 86 -4.201 -6.313 -4.832 669 2HB MET 86 1HB MET 86 -4.033 -6.155 -6.572 670 1HG MET 86 2HG MET 86 -5.482 -8.056 -6.893 671 2HG MET 86 1HG MET 86 -5.668 -8.230 -5.153 672 1HE MET 86 1HE MET 86 -5.598 -4.883 -7.380 673 2HE MET 86 2HE MET 86 -7.350 -4.767 -7.682 674 3HE MET 86 3HE MET 86 -6.443 -6.125 -8.305 675 H HIS 87 H HIS 87 -1.836 -6.777 -7.654 676 HA HIS 87 HA HIS 87 0.446 -5.964 -6.027 677 1HB HIS 87 2HB HIS 87 0.229 -6.501 -9.003 678 2HB HIS 87 1HB HIS 87 1.638 -5.827 -8.160 679 HD1 HIS 87 1HD HIS 87 3.349 -7.489 -7.565 680 HD2 HIS 87 2HD HIS 87 -0.384 -9.361 -7.854 681 HE1 HIS 87 1HE HIS 87 3.734 -9.939 -7.176 682 HE2 HIS 87 2HE HIS 87 1.501 -10.972 -7.757 683 H LEU 88 H LEU 88 0.771 -3.822 -5.744 684 HA LEU 88 HA LEU 88 -0.926 -2.049 -7.326 685 1HB LEU 88 2HB LEU 88 -0.197 -1.957 -4.423 686 2HB LEU 88 1HB LEU 88 -0.670 -0.509 -5.275 687 HG LEU 88 HG LEU 88 -2.532 -1.400 -4.025 688 1HD1 LEU 88 1HD1 LEU 88 -2.960 -0.269 -6.125 689 2HD1 LEU 88 2HD1 LEU 88 -4.176 -1.475 -5.754 690 3HD1 LEU 88 3HD1 LEU 88 -2.945 -1.822 -6.968 691 1HD2 LEU 88 1HD2 LEU 88 -3.556 -3.557 -4.574 692 2HD2 LEU 88 2HD2 LEU 88 -1.911 -3.763 -3.964 693 3HD2 LEU 88 3HD2 LEU 88 -2.232 -3.901 -5.690 694 H VAL 89 H VAL 89 -0.147 -0.167 -8.064 695 HA VAL 89 HA VAL 89 2.672 0.307 -7.553 696 HB VAL 89 HB VAL 89 2.882 1.161 -9.900 697 1HG1 VAL 89 1HG1 VAL 89 3.575 -1.137 -9.408 698 2HG1 VAL 89 2HG1 VAL 89 2.870 -1.031 -11.031 699 3HG1 VAL 89 3HG1 VAL 89 1.925 -1.694 -9.706 700 1HG2 VAL 89 1HG2 VAL 89 1.169 0.620 -11.552 701 2HG2 VAL 89 2HG2 VAL 89 0.502 1.667 -10.294 702 3HG2 VAL 89 3HG2 VAL 89 0.155 -0.064 -10.286 703 H ALA 90 H ALA 90 3.130 2.300 -6.937 704 HA ALA 90 HA ALA 90 1.237 4.434 -7.417 705 1HB ALA 90 1HB ALA 90 2.465 3.881 -4.709 706 2HB ALA 90 2HB ALA 90 0.769 3.624 -5.151 707 3HB ALA 90 3HB ALA 90 1.448 5.255 -5.158 708 H ARG 91 H ARG 91 2.187 6.451 -7.595 709 HA ARG 91 HA ARG 91 5.080 6.582 -7.397 710 1HB ARG 91 2HB ARG 91 4.235 6.174 -9.779 711 2HB ARG 91 1HB ARG 91 3.430 7.721 -9.659 712 1HG ARG 91 2HG ARG 91 5.634 8.762 -9.201 713 2HG ARG 91 1HG ARG 91 6.385 7.197 -9.548 714 1HD ARG 91 2HD ARG 91 5.242 7.235 -11.753 715 2HD ARG 91 1HD ARG 91 4.699 8.862 -11.385 716 HE ARG 91 HE ARG 91 7.475 8.041 -11.771 717 1HH1 ARG 91 1HH1 ARG 91 5.104 10.632 -11.476 718 2HH1 ARG 91 2HH1 ARG 91 5.972 11.736 -12.446 719 1HH2 ARG 91 1HH2 ARG 91 8.697 9.595 -13.107 720 2HH2 ARG 91 2HH2 ARG 91 8.025 11.144 -13.368 721 H GLU 92 H GLU 92 5.707 8.829 -6.979 722 HA GLU 92 HA GLU 92 5.507 10.827 -5.908 723 1HB GLU 92 2HB GLU 92 2.744 10.769 -7.152 724 2HB GLU 92 1HB GLU 92 3.232 12.064 -6.081 725 1HG GLU 92 2HG GLU 92 3.414 12.700 -8.446 726 2HG GLU 92 1HG GLU 92 4.972 12.741 -7.639 727 H THR 93 H THR 93 2.351 9.571 -5.356 728 HA THR 93 HA THR 93 1.193 8.992 -3.547 729 HB THR 93 HB THR 93 3.918 8.418 -2.268 730 HG1 THR 93 1HG THR 93 4.069 6.972 -3.719 731 1HG2 THR 93 1HG2 THR 93 1.186 7.169 -1.787 732 2HG2 THR 93 2HG2 THR 93 2.075 8.175 -0.632 733 3HG2 THR 93 3HG2 THR 93 2.697 6.602 -1.096 734 H LEU 94 H LEU 94 1.176 9.529 -1.011 735 HA LEU 94 HA LEU 94 0.926 12.338 -0.766 736 1HB LEU 94 2HB LEU 94 0.909 10.243 1.403 737 2HB LEU 94 1HB LEU 94 0.561 11.928 1.666 738 HG LEU 94 HG LEU 94 -1.439 11.671 0.185 739 1HD1 LEU 94 1HD1 LEU 94 -0.783 8.740 0.366 740 2HD1 LEU 94 2HD1 LEU 94 -0.737 9.734 -1.092 741 3HD1 LEU 94 3HD1 LEU 94 -2.273 9.436 -0.277 742 1HD2 LEU 94 1HD2 LEU 94 -2.757 10.460 1.895 743 2HD2 LEU 94 2HD2 LEU 94 -1.652 11.655 2.567 744 3HD2 LEU 94 3HD2 LEU 94 -1.241 9.942 2.642 745 HA PRO 95 HA PRO 95 5.117 13.292 0.675 746 1HB PRO 95 2HB PRO 95 3.680 15.805 1.393 747 2HB PRO 95 1HB PRO 95 5.170 15.616 0.461 748 1HG PRO 95 2HG PRO 95 2.894 16.280 -0.739 749 2HG PRO 95 1HG PRO 95 4.037 15.161 -1.506 750 1HD PRO 95 2HD PRO 95 1.458 14.538 -0.090 751 2HD PRO 95 1HD PRO 95 2.174 13.822 -1.552 752 H GLU 96 H GLU 96 5.716 12.882 2.734 753 HA GLU 96 HA GLU 96 3.627 12.132 4.455 754 1HB GLU 96 2HB GLU 96 6.586 12.152 5.047 755 2HB GLU 96 1HB GLU 96 5.346 11.275 5.937 756 1HG GLU 96 2HG GLU 96 4.811 10.035 3.860 757 2HG GLU 96 1HG GLU 96 6.180 10.848 3.100 758 HA PRO 97 HA PRO 97 2.806 15.911 6.867 759 1HB PRO 97 2HB PRO 97 2.821 14.172 9.192 760 2HB PRO 97 1HB PRO 97 1.380 14.937 8.447 761 1HG PRO 97 2HG PRO 97 2.518 12.228 8.246 762 2HG PRO 97 1HG PRO 97 0.874 12.773 7.851 763 1HD PRO 97 2HD PRO 97 2.596 11.986 6.003 764 2HD PRO 97 1HD PRO 97 1.473 13.327 5.682 765 H ASN 98 H ASN 98 4.596 13.319 8.214 766 HA ASN 98 HA ASN 98 7.068 14.597 8.488 767 1HB ASN 98 2HB ASN 98 5.806 15.253 10.609 768 2HB ASN 98 1HB ASN 98 5.508 13.550 10.901 769 1HD2 ASN 98 1HD2 ASN 98 6.848 15.462 12.555 770 2HD2 ASN 98 2HD2 ASN 98 8.453 14.890 12.830 771 H SER 99 H SER 99 8.435 12.717 8.354 772 HA SER 99 HA SER 99 7.105 10.384 7.562 773 1HB SER 99 2HB SER 99 10.019 10.810 8.247 774 2HB SER 99 1HB SER 99 9.358 9.385 7.438 775 HG SER 99 HG SER 99 8.841 10.566 5.702 776 H GLN 100 H GLN 100 5.717 10.131 9.378 777 HA GLN 100 HA GLN 100 6.537 9.394 11.931 778 1HB GLN 100 2HB GLN 100 4.436 7.955 11.959 779 2HB GLN 100 1HB GLN 100 4.211 9.667 11.761 780 1HG GLN 100 2HG GLN 100 3.963 9.264 9.285 781 2HG GLN 100 1HG GLN 100 4.117 7.542 9.620 782 1HE2 GLN 100 1HE2 GLN 100 2.079 7.199 8.694 783 2HE2 GLN 100 2HE2 GLN 100 0.635 7.581 9.563 784 H GLY 101 H GLY 101 5.972 7.307 9.152 785 1HA GLY 101 2HA GLY 101 7.093 5.391 8.571 786 2HA GLY 101 1HA GLY 101 8.108 5.590 9.991 787 H GLN 102 H GLN 102 5.873 5.699 11.866 788 HA GLN 102 HA GLN 102 5.258 2.872 11.654 789 1HB GLN 102 2HB GLN 102 5.785 4.408 14.176 790 2HB GLN 102 1HB GLN 102 5.161 2.762 14.140 791 1HG GLN 102 2HG GLN 102 7.171 2.070 12.891 792 2HG GLN 102 1HG GLN 102 7.804 3.703 13.055 793 1HE2 GLN 102 1HE2 GLN 102 8.461 4.406 15.094 794 2HE2 GLN 102 2HE2 GLN 102 8.786 3.289 16.370 795 H ARG 103 H ARG 103 3.485 2.474 11.148 796 HA ARG 103 HA ARG 103 1.128 2.867 12.558 797 1HB ARG 103 2HB ARG 103 1.740 5.148 11.106 798 2HB ARG 103 1HB ARG 103 0.923 4.198 9.879 799 1HG ARG 103 2HG ARG 103 -0.234 5.053 12.534 800 2HG ARG 103 1HG ARG 103 -0.606 5.744 10.962 801 1HD ARG 103 2HD ARG 103 -1.154 2.906 11.819 802 2HD ARG 103 1HD ARG 103 -2.342 4.208 11.762 803 HE ARG 103 HE ARG 103 -1.172 4.036 9.262 804 1HH1 ARG 103 1HH1 ARG 103 -3.180 2.027 11.367 805 2HH1 ARG 103 2HH1 ARG 103 -3.929 1.249 10.012 806 1HH2 ARG 103 1HH2 ARG 103 -2.249 2.850 7.467 807 2HH2 ARG 103 2HH2 ARG 103 -3.409 1.682 7.921 808 H ASN 104 H ASN 104 2.831 0.959 11.624 809 HA ASN 104 HA ASN 104 2.065 0.141 8.935 810 1HB ASN 104 2HB ASN 104 4.456 0.427 9.506 811 2HB ASN 104 1HB ASN 104 4.305 -0.812 10.738 812 1HD2 ASN 104 1HD2 ASN 104 6.046 -0.628 8.392 813 2HD2 ASN 104 2HD2 ASN 104 5.718 -2.047 7.460 814 H ARG 105 H ARG 105 1.890 -0.919 12.297 815 HA ARG 105 HA ARG 105 1.250 -3.605 11.818 816 1HB ARG 105 2HB ARG 105 0.846 -1.826 14.165 817 2HB ARG 105 1HB ARG 105 -0.042 -3.329 14.125 818 1HG ARG 105 2HG ARG 105 1.996 -3.525 15.460 819 2HG ARG 105 1HG ARG 105 2.035 -4.582 14.067 820 1HD ARG 105 2HD ARG 105 3.393 -1.896 14.092 821 2HD ARG 105 1HD ARG 105 4.169 -3.350 14.701 822 HE ARG 105 HE ARG 105 3.223 -3.848 12.104 823 1HH1 ARG 105 1HH1 ARG 105 5.671 -1.904 13.727 824 2HH1 ARG 105 2HH1 ARG 105 6.836 -1.991 12.519 825 1HH2 ARG 105 1HH2 ARG 105 4.770 -4.025 10.373 826 2HH2 ARG 105 2HH2 ARG 105 6.294 -3.271 10.492 827 H GLU 106 H GLU 106 -0.978 -0.903 12.440 828 HA GLU 106 HA GLU 106 -3.096 -0.527 12.130 829 1HB GLU 106 2HB GLU 106 -2.577 -0.481 9.796 830 2HB GLU 106 1HB GLU 106 -2.726 -2.229 9.669 831 1HG GLU 106 2HG GLU 106 -5.005 -2.173 9.645 832 2HG GLU 106 1HG GLU 106 -5.091 -0.685 10.586 833 H LYS 107 H LYS 107 -2.720 -3.967 11.880 834 HA LYS 107 HA LYS 107 -5.343 -4.340 13.090 835 1HB LYS 107 2HB LYS 107 -4.931 -6.743 12.774 836 2HB LYS 107 1HB LYS 107 -4.752 -5.876 11.257 837 1HG LYS 107 2HG LYS 107 -2.281 -5.914 11.614 838 2HG LYS 107 1HG LYS 107 -2.553 -6.906 13.030 839 1HD LYS 107 2HD LYS 107 -3.425 -7.693 10.238 840 2HD LYS 107 1HD LYS 107 -1.890 -8.169 10.938 841 1HE LYS 107 2HE LYS 107 -3.379 -10.020 11.163 842 2HE LYS 107 1HE LYS 107 -3.188 -9.321 12.759 843 1HZ LYS 107 1HZ LYS 107 -5.418 -8.319 12.544 844 2HZ LYS 107 2HZ LYS 107 -5.472 -9.966 12.240 845 3HZ LYS 107 3HZ LYS 107 -5.524 -8.906 10.958 846 H THR 108 H THR 108 -5.543 -5.568 15.033 847 HA THR 108 HA THR 108 -3.451 -4.905 16.895 848 HB THR 108 HB THR 108 -5.762 -4.582 17.628 849 HG1 THR 108 1HG THR 108 -5.459 -5.362 19.576 850 1HG2 THR 108 1HG2 THR 108 -7.280 -6.490 17.988 851 2HG2 THR 108 2HG2 THR 108 -6.078 -7.575 17.291 852 3HG2 THR 108 3HG2 THR 108 -6.833 -6.337 16.290 853 H GLY 109 H GLY 109 -2.292 -6.403 18.124 854 1HA GLY 109 2HA GLY 109 -1.418 -8.504 18.637 855 2HA GLY 109 1HA GLY 109 -2.478 -9.203 17.414 856 H GLU 110 H GLU 110 -0.482 -6.458 16.791 857 HA GLU 110 HA GLU 110 1.302 -6.033 15.446 858 1HB GLU 110 2HB GLU 110 1.913 -8.985 15.709 859 2HB GLU 110 1HB GLU 110 2.992 -7.781 15.032 860 1HG GLU 110 2HG GLU 110 3.177 -6.688 17.171 861 2HG GLU 110 1HG GLU 110 2.000 -7.798 17.871 862 H SER 111 H SER 111 2.102 -6.308 13.224 863 HA SER 111 HA SER 111 -0.001 -7.339 11.571 864 1HB SER 111 2HB SER 111 1.388 -6.221 9.726 865 2HB SER 111 1HB SER 111 0.595 -5.162 10.890 866 HG SER 111 HG SER 111 3.230 -6.074 11.299 867 H ASN 112 H ASN 112 0.240 -9.468 11.772 868 HA ASN 112 HA ASN 112 2.513 -10.613 10.322 869 1HB ASN 112 2HB ASN 112 2.914 -10.966 12.740 870 2HB ASN 112 1HB ASN 112 1.336 -11.734 12.881 871 1HD2 ASN 112 1HD2 ASN 112 2.206 -13.688 13.564 872 2HD2 ASN 112 2HD2 ASN 112 3.068 -14.738 12.514 873 H CYS 113 H CYS 113 1.519 -11.300 8.551 874 HA CYS 113 HA CYS 113 -0.966 -12.797 8.905 875 1HB CYS 113 2HB CYS 113 -0.036 -11.214 6.505 876 2HB CYS 113 1HB CYS 113 -1.552 -12.096 6.610 877 HG CYS 113 HG CYS 113 -2.195 -9.373 6.929 878 H CYS 114 H CYS 114 -1.235 -14.429 6.991 879 HA CYS 114 HA CYS 114 1.356 -15.637 6.456 880 1HB CYS 114 2HB CYS 114 0.438 -16.663 8.491 881 2HB CYS 114 1HB CYS 114 -1.038 -17.049 7.622 882 HG CYS 114 HG CYS 114 1.712 -18.746 7.915 883 H VAL 115 H VAL 115 1.427 -16.792 4.579 884 HA VAL 115 HA VAL 115 -0.525 -16.187 2.639 885 HB VAL 115 HB VAL 115 0.788 -17.663 1.093 886 1HG1 VAL 115 1HG1 VAL 115 2.391 -15.649 2.662 887 2HG1 VAL 115 2HG1 VAL 115 1.323 -15.297 1.304 888 3HG1 VAL 115 3HG1 VAL 115 2.788 -16.243 1.051 889 1HG2 VAL 115 1HG2 VAL 115 2.577 -18.027 3.496 890 2HG2 VAL 115 2HG2 VAL 115 2.939 -18.563 1.854 891 3HG2 VAL 115 3HG2 VAL 115 1.596 -19.280 2.744 892 H ILE 116 H ILE 116 -2.397 -17.103 2.380 893 HA ILE 116 HA ILE 116 -2.756 -19.878 3.255 894 HB ILE 116 HB ILE 116 -4.270 -18.142 4.251 895 1HG1 ILE 116 2HG1 ILE 116 -6.435 -19.288 3.850 896 2HG1 ILE 116 1HG1 ILE 116 -5.715 -20.121 2.478 897 1HG2 ILE 116 1HG2 ILE 116 -5.270 -17.784 1.441 898 2HG2 ILE 116 2HG2 ILE 116 -4.416 -16.595 2.419 899 3HG2 ILE 116 3HG2 ILE 116 -6.032 -17.122 2.884 900 1HD1 ILE 116 1HD1 ILE 116 -4.171 -21.264 3.959 901 2HD1 ILE 116 2HD1 ILE 116 -5.843 -21.530 4.454 902 3HD1 ILE 116 3HD1 ILE 116 -4.831 -20.383 5.335 903 H LEU 117 H LEU 117 -1.851 -18.351 0.673 904 HA LEU 117 HA LEU 117 -3.538 -19.649 -1.286 905 1HB LEU 117 2HB LEU 117 -1.117 -17.872 -1.698 906 2HB LEU 117 1HB LEU 117 -2.137 -18.495 -2.974 907 HG LEU 117 HG LEU 117 -2.714 -16.258 -2.740 908 1HD1 LEU 117 1HD1 LEU 117 -4.782 -17.791 -1.216 909 2HD1 LEU 117 2HD1 LEU 117 -4.644 -17.641 -2.965 910 3HD1 LEU 117 3HD1 LEU 117 -5.018 -16.222 -1.985 911 1HD2 LEU 117 1HD2 LEU 117 -2.903 -16.634 0.244 912 2HD2 LEU 117 2HD2 LEU 117 -3.299 -15.150 -0.624 913 3HD2 LEU 117 3HD2 LEU 117 -1.643 -15.752 -0.618 Start of MODEL 18 1 H SER 2 H SER 2 -3.385 -9.211 7.260 2 HA SER 2 HA SER 2 -5.901 -9.057 8.445 3 1HB SER 2 2HB SER 2 -6.431 -10.742 6.653 4 2HB SER 2 1HB SER 2 -5.660 -9.252 6.096 5 HG SER 2 HG SER 2 -4.742 -11.389 5.349 6 H SER 3 H SER 3 -6.927 -10.366 9.877 7 HA SER 3 HA SER 3 -6.108 -13.116 10.160 8 1HB SER 3 2HB SER 3 -6.192 -11.169 12.484 9 2HB SER 3 1HB SER 3 -5.997 -12.920 12.640 10 HG SER 3 HG SER 3 -4.280 -11.781 10.869 11 H ASN 4 H ASN 4 -7.888 -14.186 9.822 12 HA ASN 4 HA ASN 4 -9.966 -14.982 9.866 13 1HB ASN 4 2HB ASN 4 -9.995 -14.667 12.306 14 2HB ASN 4 1HB ASN 4 -10.548 -13.003 12.090 15 1HD2 ASN 4 1HD2 ASN 4 -12.469 -13.275 13.122 16 2HD2 ASN 4 2HD2 ASN 4 -13.768 -14.230 12.513 17 H VAL 5 H VAL 5 -11.119 -14.651 8.127 18 HA VAL 5 HA VAL 5 -11.882 -11.903 7.477 19 HB VAL 5 HB VAL 5 -12.161 -14.310 5.712 20 1HG1 VAL 5 1HG1 VAL 5 -12.077 -12.679 3.913 21 2HG1 VAL 5 2HG1 VAL 5 -11.915 -11.396 5.111 22 3HG1 VAL 5 3HG1 VAL 5 -13.389 -12.370 5.058 23 1HG2 VAL 5 1HG2 VAL 5 -10.093 -13.782 4.637 24 2HG2 VAL 5 2HG2 VAL 5 -9.821 -14.225 6.331 25 3HG2 VAL 5 3HG2 VAL 5 -9.736 -12.520 5.824 26 HA PRO 6 HA PRO 6 -16.072 -13.395 8.609 27 1HB PRO 6 2HB PRO 6 -16.861 -10.675 7.975 28 2HB PRO 6 1HB PRO 6 -16.987 -11.510 9.517 29 1HG PRO 6 2HG PRO 6 -15.277 -9.466 8.998 30 2HG PRO 6 1HG PRO 6 -14.951 -10.707 10.235 31 1HD PRO 6 2HD PRO 6 -13.814 -10.357 7.505 32 2HD PRO 6 1HD PRO 6 -13.066 -11.032 8.967 33 H ALA 7 H ALA 7 -17.841 -13.818 7.249 34 HA ALA 7 HA ALA 7 -17.314 -13.433 4.459 35 1HB ALA 7 1HB ALA 7 -19.279 -14.770 4.046 36 2HB ALA 7 2HB ALA 7 -19.693 -14.711 5.768 37 3HB ALA 7 3HB ALA 7 -18.227 -15.558 5.234 38 H ASP 8 H ASP 8 -17.315 -11.253 4.718 39 HA ASP 8 HA ASP 8 -19.646 -9.962 3.624 40 1HB ASP 8 2HB ASP 8 -20.180 -9.903 6.082 41 2HB ASP 8 1HB ASP 8 -18.666 -9.050 6.350 42 H MET 9 H MET 9 -16.607 -9.895 5.199 43 HA MET 9 HA MET 9 -15.671 -7.489 3.799 44 1HB MET 9 2HB MET 9 -14.453 -9.175 5.977 45 2HB MET 9 1HB MET 9 -13.721 -7.722 5.318 46 1HG MET 9 2HG MET 9 -16.384 -7.789 6.693 47 2HG MET 9 1HG MET 9 -14.849 -7.468 7.524 48 1HE MET 9 1HE MET 9 -13.225 -5.640 5.581 49 2HE MET 9 2HE MET 9 -13.449 -5.304 7.288 50 3HE MET 9 3HE MET 9 -13.763 -4.044 6.092 51 H ILE 10 H ILE 10 -13.937 -7.623 2.383 52 HA ILE 10 HA ILE 10 -13.313 -10.323 1.538 53 HB ILE 10 HB ILE 10 -12.481 -9.297 -0.599 54 1HG1 ILE 10 2HG1 ILE 10 -13.557 -7.000 -1.085 55 2HG1 ILE 10 1HG1 ILE 10 -13.507 -6.781 0.649 56 1HG2 ILE 10 1HG2 ILE 10 -15.341 -8.768 0.079 57 2HG2 ILE 10 2HG2 ILE 10 -14.643 -10.255 -0.610 58 3HG2 ILE 10 3HG2 ILE 10 -14.630 -8.734 -1.530 59 1HD1 ILE 10 1HD1 ILE 10 -11.066 -7.127 0.605 60 2HD1 ILE 10 2HD1 ILE 10 -11.617 -5.757 -0.397 61 3HD1 ILE 10 3HD1 ILE 10 -11.199 -7.283 -1.160 62 H ASN 11 H ASN 11 -11.275 -11.101 1.347 63 HA ASN 11 HA ASN 11 -9.264 -9.689 2.912 64 1HB ASN 11 2HB ASN 11 -9.492 -12.038 3.378 65 2HB ASN 11 1HB ASN 11 -9.312 -12.434 1.672 66 1HD2 ASN 11 1HD2 ASN 11 -7.604 -11.606 4.612 67 2HD2 ASN 11 2HD2 ASN 11 -6.048 -11.825 3.888 68 H LEU 12 H LEU 12 -7.750 -8.520 2.042 69 HA LEU 12 HA LEU 12 -7.081 -9.060 -0.721 70 1HB LEU 12 2HB LEU 12 -8.516 -7.214 -0.830 71 2HB LEU 12 1HB LEU 12 -7.786 -6.458 0.565 72 HG LEU 12 HG LEU 12 -5.777 -6.000 -0.732 73 1HD1 LEU 12 1HD1 LEU 12 -5.802 -7.812 -2.264 74 2HD1 LEU 12 2HD1 LEU 12 -5.700 -6.271 -3.096 75 3HD1 LEU 12 3HD1 LEU 12 -7.233 -7.163 -3.087 76 1HD2 LEU 12 1HD2 LEU 12 -7.463 -4.326 -0.593 77 2HD2 LEU 12 2HD2 LEU 12 -8.346 -5.073 -1.911 78 3HD2 LEU 12 3HD2 LEU 12 -6.783 -4.311 -2.227 79 H ARG 13 H ARG 13 -5.045 -9.211 -1.084 80 HA ARG 13 HA ARG 13 -3.130 -8.311 0.922 81 1HB ARG 13 2HB ARG 13 -3.057 -10.665 0.462 82 2HB ARG 13 1HB ARG 13 -3.002 -10.374 -1.253 83 1HG ARG 13 2HG ARG 13 -0.785 -9.508 -1.092 84 2HG ARG 13 1HG ARG 13 -0.844 -9.566 0.675 85 1HD ARG 13 2HD ARG 13 -1.114 -11.899 0.652 86 2HD ARG 13 1HD ARG 13 -1.228 -11.947 -1.103 87 HE ARG 13 HE ARG 13 1.112 -11.275 -1.183 88 1HH1 ARG 13 1HH1 ARG 13 -0.040 -12.521 1.915 89 2HH1 ARG 13 2HH1 ARG 13 1.497 -13.068 2.410 90 1HH2 ARG 13 1HH2 ARG 13 3.186 -12.062 -0.521 91 2HH2 ARG 13 2HH2 ARG 13 3.366 -12.794 1.008 92 H LEU 14 H LEU 14 -2.105 -6.595 0.482 93 HA LEU 14 HA LEU 14 -2.019 -5.510 -2.243 94 1HB LEU 14 2HB LEU 14 -1.567 -4.042 0.438 95 2HB LEU 14 1HB LEU 14 -1.484 -3.326 -1.149 96 HG LEU 14 HG LEU 14 -3.426 -2.689 -0.005 97 1HD1 LEU 14 1HD1 LEU 14 -3.575 -2.796 -2.388 98 2HD1 LEU 14 2HD1 LEU 14 -5.124 -3.175 -1.641 99 3HD1 LEU 14 3HD1 LEU 14 -4.128 -4.474 -2.306 100 1HD2 LEU 14 1HD2 LEU 14 -3.910 -4.561 1.464 101 2HD2 LEU 14 2HD2 LEU 14 -4.132 -5.583 0.066 102 3HD2 LEU 14 3HD2 LEU 14 -5.284 -4.264 0.369 103 H ILE 15 H ILE 15 -0.067 -5.578 -3.292 104 HA ILE 15 HA ILE 15 2.251 -6.045 -1.598 105 HB ILE 15 HB ILE 15 2.113 -6.188 -4.628 106 1HG1 ILE 15 2HG1 ILE 15 1.888 -8.405 -2.534 107 2HG1 ILE 15 1HG1 ILE 15 0.692 -7.878 -3.676 108 1HG2 ILE 15 1HG2 ILE 15 4.232 -7.061 -2.649 109 2HG2 ILE 15 2HG2 ILE 15 4.372 -5.727 -3.782 110 3HG2 ILE 15 3HG2 ILE 15 4.293 -7.384 -4.378 111 1HD1 ILE 15 1HD1 ILE 15 1.714 -9.959 -4.368 112 2HD1 ILE 15 2HD1 ILE 15 3.289 -9.167 -4.429 113 3HD1 ILE 15 3HD1 ILE 15 2.008 -8.667 -5.532 114 H LEU 16 H LEU 16 3.461 -4.454 -1.094 115 HA LEU 16 HA LEU 16 2.899 -1.812 -1.994 116 1HB LEU 16 2HB LEU 16 5.227 -2.798 -0.364 117 2HB LEU 16 1HB LEU 16 4.670 -1.145 -0.490 118 HG LEU 16 HG LEU 16 3.239 -3.436 0.843 119 1HD1 LEU 16 1HD1 LEU 16 3.559 -2.145 2.889 120 2HD1 LEU 16 2HD1 LEU 16 4.490 -0.951 1.985 121 3HD1 LEU 16 3HD1 LEU 16 5.090 -2.600 2.144 122 1HD2 LEU 16 1HD2 LEU 16 2.375 -0.572 0.508 123 2HD2 LEU 16 2HD2 LEU 16 1.582 -1.763 1.534 124 3HD2 LEU 16 3HD2 LEU 16 1.613 -1.990 -0.214 125 H VAL 17 H VAL 17 4.343 -0.404 -3.048 126 HA VAL 17 HA VAL 17 5.738 -1.442 -5.273 127 HB VAL 17 HB VAL 17 6.046 1.318 -4.022 128 1HG1 VAL 17 1HG1 VAL 17 6.610 2.081 -6.282 129 2HG1 VAL 17 2HG1 VAL 17 6.505 0.421 -6.864 130 3HG1 VAL 17 3HG1 VAL 17 7.750 0.869 -5.699 131 1HG2 VAL 17 1HG2 VAL 17 4.273 2.053 -5.565 132 2HG2 VAL 17 2HG2 VAL 17 3.692 0.850 -4.414 133 3HG2 VAL 17 3HG2 VAL 17 4.051 0.376 -6.076 134 H SER 18 H SER 18 6.593 -1.107 -2.052 135 HA SER 18 HA SER 18 9.448 -0.855 -2.319 136 1HB SER 18 2HB SER 18 8.085 -0.036 -0.341 137 2HB SER 18 1HB SER 18 7.830 -1.746 0.050 138 HG SER 18 HG SER 18 10.066 -0.168 0.330 139 H GLY 19 H GLY 19 7.223 -3.414 -2.725 140 1HA GLY 19 2HA GLY 19 7.830 -5.558 -3.393 141 2HA GLY 19 1HA GLY 19 9.396 -5.363 -2.638 142 H LYS 20 H LYS 20 7.427 -4.245 -0.375 143 HA LYS 20 HA LYS 20 7.316 -6.805 0.886 144 1HB LYS 20 2HB LYS 20 7.112 -4.044 1.992 145 2HB LYS 20 1HB LYS 20 6.307 -5.322 2.880 146 1HG LYS 20 2HG LYS 20 8.520 -4.934 3.794 147 2HG LYS 20 1HG LYS 20 8.434 -6.534 3.081 148 1HD LYS 20 2HD LYS 20 10.557 -5.568 2.514 149 2HD LYS 20 1HD LYS 20 9.569 -5.581 1.053 150 1HE LYS 20 2HE LYS 20 9.016 -3.237 1.406 151 2HE LYS 20 1HE LYS 20 9.981 -3.230 2.881 152 1HZ LYS 20 1HZ LYS 20 11.956 -3.676 1.542 153 2HZ LYS 20 2HZ LYS 20 11.146 -2.300 0.970 154 3HZ LYS 20 3HZ LYS 20 11.014 -3.732 0.143 155 H THR 21 H THR 21 5.542 -7.900 1.462 156 HA THR 21 HA THR 21 3.109 -7.094 0.084 157 HB THR 21 HB THR 21 2.534 -9.475 0.331 158 HG1 THR 21 1HG THR 21 3.819 -9.809 2.234 159 1HG2 THR 21 1HG2 THR 21 5.263 -8.952 -0.868 160 2HG2 THR 21 2HG2 THR 21 3.712 -8.757 -1.688 161 3HG2 THR 21 3HG2 THR 21 4.262 -10.359 -1.206 162 H LYS 22 H LYS 22 1.318 -6.548 1.293 163 HA LYS 22 HA LYS 22 1.155 -7.660 3.948 164 1HB LYS 22 2HB LYS 22 2.225 -5.546 4.376 165 2HB LYS 22 1HB LYS 22 1.030 -4.697 3.412 166 1HG LYS 22 2HG LYS 22 -0.666 -5.047 5.015 167 2HG LYS 22 1HG LYS 22 0.301 -6.233 5.884 168 1HD LYS 22 2HD LYS 22 1.100 -3.339 5.597 169 2HD LYS 22 1HD LYS 22 0.144 -3.954 6.945 170 1HE LYS 22 2HE LYS 22 2.909 -4.900 6.178 171 2HE LYS 22 1HE LYS 22 2.519 -3.831 7.521 172 1HZ LYS 22 1HZ LYS 22 2.753 -6.059 8.344 173 2HZ LYS 22 2HZ LYS 22 1.681 -6.680 7.235 174 3HZ LYS 22 3HZ LYS 22 1.114 -5.657 8.435 175 H GLU 23 H GLU 23 -0.839 -8.012 4.711 176 HA GLU 23 HA GLU 23 -2.968 -7.687 2.723 177 1HB GLU 23 2HB GLU 23 -1.807 -9.969 3.034 178 2HB GLU 23 1HB GLU 23 -2.533 -9.961 4.625 179 1HG GLU 23 2HG GLU 23 -4.739 -9.894 3.617 180 2HG GLU 23 1HG GLU 23 -4.010 -9.919 2.030 181 H PHE 24 H PHE 24 -4.921 -7.100 3.554 182 HA PHE 24 HA PHE 24 -5.373 -7.044 6.423 183 1HB PHE 24 2HB PHE 24 -5.566 -4.595 4.681 184 2HB PHE 24 1HB PHE 24 -6.480 -4.766 6.153 185 HD1 PHE 24 1HD PHE 24 -5.336 -4.715 8.305 186 HD2 PHE 24 2HD PHE 24 -3.290 -4.053 4.656 187 HE1 PHE 24 1HE PHE 24 -3.531 -3.631 9.541 188 HE2 PHE 24 2HE PHE 24 -1.459 -2.961 5.879 189 HZ PHE 24 HZ PHE 24 -1.572 -2.744 8.324 190 H LEU 25 H LEU 25 -7.562 -6.699 6.927 191 HA LEU 25 HA LEU 25 -9.356 -7.897 5.039 192 1HB LEU 25 2HB LEU 25 -9.340 -8.271 7.571 193 2HB LEU 25 1HB LEU 25 -9.926 -6.623 7.700 194 HG LEU 25 HG LEU 25 -11.921 -7.214 6.475 195 1HD1 LEU 25 1HD1 LEU 25 -10.796 -10.006 6.613 196 2HD1 LEU 25 2HD1 LEU 25 -11.057 -9.052 5.148 197 3HD1 LEU 25 3HD1 LEU 25 -12.427 -9.582 6.111 198 1HD2 LEU 25 1HD2 LEU 25 -11.872 -7.259 8.916 199 2HD2 LEU 25 2HD2 LEU 25 -11.333 -8.939 8.877 200 3HD2 LEU 25 3HD2 LEU 25 -12.934 -8.513 8.276 201 H PHE 26 H PHE 26 -10.546 -6.649 3.627 202 HA PHE 26 HA PHE 26 -11.117 -3.905 4.404 203 1HB PHE 26 2HB PHE 26 -10.054 -4.772 1.698 204 2HB PHE 26 1HB PHE 26 -10.841 -3.226 1.969 205 HD1 PHE 26 1HD PHE 26 -9.768 -1.605 3.629 206 HD2 PHE 26 2HD PHE 26 -7.708 -5.049 2.136 207 HE1 PHE 26 1HE PHE 26 -7.629 -0.640 4.288 208 HE2 PHE 26 2HE PHE 26 -5.616 -4.073 2.795 209 HZ PHE 26 HZ PHE 26 -5.538 -1.876 3.870 210 H SER 27 H SER 27 -12.824 -3.014 2.778 211 HA SER 27 HA SER 27 -14.850 -5.105 2.687 212 1HB SER 27 2HB SER 27 -16.465 -3.237 2.556 213 2HB SER 27 1HB SER 27 -15.451 -3.083 3.981 214 HG SER 27 HG SER 27 -14.110 -1.661 2.530 215 HA PRO 28 HA PRO 28 -14.520 -5.133 -1.710 216 1HB PRO 28 2HB PRO 28 -17.156 -5.553 -2.442 217 2HB PRO 28 1HB PRO 28 -16.044 -6.800 -1.834 218 1HG PRO 28 2HG PRO 28 -18.101 -5.253 -0.322 219 2HG PRO 28 1HG PRO 28 -17.774 -6.994 -0.293 220 1HD PRO 28 2HD PRO 28 -16.851 -5.426 1.636 221 2HD PRO 28 1HD PRO 28 -15.863 -6.741 0.991 222 H ASN 29 H ASN 29 -16.334 -2.846 0.008 223 HA ASN 29 HA ASN 29 -17.072 -1.148 -2.198 224 1HB ASN 29 2HB ASN 29 -18.431 -1.156 -0.157 225 2HB ASN 29 1HB ASN 29 -17.037 -0.650 0.786 226 1HD2 ASN 29 1HD2 ASN 29 -16.441 1.552 0.771 227 2HD2 ASN 29 2HD2 ASN 29 -17.407 2.759 0.029 228 H ASP 30 H ASP 30 -14.235 -1.596 -0.231 229 HA ASP 30 HA ASP 30 -13.205 1.054 -0.461 230 1HB ASP 30 2HB ASP 30 -11.748 -1.535 0.177 231 2HB ASP 30 1HB ASP 30 -10.959 0.037 0.160 232 H SER 31 H SER 31 -11.329 1.790 -1.707 233 HA SER 31 HA SER 31 -11.409 0.640 -4.387 234 1HB SER 31 2HB SER 31 -10.300 3.289 -3.429 235 2HB SER 31 1HB SER 31 -10.456 2.750 -5.087 236 HG SER 31 HG SER 31 -12.766 2.718 -3.517 237 H ALA 32 H ALA 32 -9.753 -0.507 -5.104 238 HA ALA 32 HA ALA 32 -7.662 -1.612 -3.690 239 1HB ALA 32 1HB ALA 32 -6.772 -2.244 -5.861 240 2HB ALA 32 2HB ALA 32 -7.746 -0.962 -6.600 241 3HB ALA 32 3HB ALA 32 -8.543 -2.339 -5.866 242 H SER 33 H SER 33 -7.127 1.058 -6.079 243 HA SER 33 HA SER 33 -4.397 1.263 -5.469 244 1HB SER 33 2HB SER 33 -6.154 3.341 -6.793 245 2HB SER 33 1HB SER 33 -4.412 3.098 -6.999 246 HG SER 33 HG SER 33 -5.752 2.206 -8.657 247 H ASP 34 H ASP 34 -7.205 2.771 -4.166 248 HA ASP 34 HA ASP 34 -5.977 4.900 -2.646 249 1HB ASP 34 2HB ASP 34 -8.483 4.684 -3.219 250 2HB ASP 34 1HB ASP 34 -8.510 3.314 -2.152 251 H ILE 35 H ILE 35 -7.014 1.613 -1.931 252 HA ILE 35 HA ILE 35 -6.207 1.398 0.716 253 HB ILE 35 HB ILE 35 -6.236 -0.725 -1.428 254 1HG1 ILE 35 2HG1 ILE 35 -8.262 -0.025 0.697 255 2HG1 ILE 35 1HG1 ILE 35 -8.409 0.352 -1.020 256 1HG2 ILE 35 1HG2 ILE 35 -6.322 -2.311 0.430 257 2HG2 ILE 35 2HG2 ILE 35 -6.142 -0.955 1.552 258 3HG2 ILE 35 3HG2 ILE 35 -4.835 -1.353 0.444 259 1HD1 ILE 35 1HD1 ILE 35 -8.403 -2.024 -1.532 260 2HD1 ILE 35 2HD1 ILE 35 -9.717 -1.601 -0.425 261 3HD1 ILE 35 3HD1 ILE 35 -8.258 -2.393 0.183 262 H ALA 36 H ALA 36 -4.303 0.946 -2.252 263 HA ALA 36 HA ALA 36 -1.959 -0.090 -1.320 264 1HB ALA 36 1HB ALA 36 -2.440 0.391 -3.683 265 2HB ALA 36 2HB ALA 36 -0.858 0.987 -3.191 266 3HB ALA 36 3HB ALA 36 -2.209 2.108 -3.364 267 H LYS 37 H LYS 37 -3.049 3.268 -0.984 268 HA LYS 37 HA LYS 37 -0.540 4.290 -0.027 269 1HB LYS 37 2HB LYS 37 -2.541 5.544 -1.108 270 2HB LYS 37 1HB LYS 37 -3.316 5.332 0.446 271 1HG LYS 37 2HG LYS 37 -0.831 6.983 -0.094 272 2HG LYS 37 1HG LYS 37 -2.480 7.572 0.113 273 1HD LYS 37 2HD LYS 37 -2.462 6.685 2.436 274 2HD LYS 37 1HD LYS 37 -0.798 6.172 2.208 275 1HE LYS 37 2HE LYS 37 -0.756 8.219 3.437 276 2HE LYS 37 1HE LYS 37 -0.199 8.582 1.810 277 1HZ LYS 37 1HZ LYS 37 -2.477 9.478 1.334 278 2HZ LYS 37 2HZ LYS 37 -1.700 10.266 2.594 279 3HZ LYS 37 3HZ LYS 37 -2.887 9.167 2.954 280 H HIS 38 H HIS 38 -3.543 3.138 1.275 281 HA HIS 38 HA HIS 38 -3.358 3.606 4.029 282 1HB HIS 38 2HB HIS 38 -5.415 2.898 2.897 283 2HB HIS 38 1HB HIS 38 -4.701 1.340 2.534 284 HD1 HIS 38 1HD HIS 38 -4.227 -0.210 4.773 285 HD2 HIS 38 2HD HIS 38 -6.801 3.006 5.159 286 HE1 HIS 38 1HE HIS 38 -5.543 -0.667 6.841 287 HE2 HIS 38 2HE HIS 38 -7.288 1.145 6.845 288 H VAL 39 H VAL 39 -2.572 0.693 2.226 289 HA VAL 39 HA VAL 39 -1.570 -0.722 4.472 290 HB VAL 39 HB VAL 39 -0.876 -2.430 2.826 291 1HG1 VAL 39 1HG1 VAL 39 -3.189 -2.981 2.176 292 2HG1 VAL 39 2HG1 VAL 39 -3.665 -1.320 2.444 293 3HG1 VAL 39 3HG1 VAL 39 -3.174 -2.306 3.803 294 1HG2 VAL 39 1HG2 VAL 39 -2.057 -0.485 0.877 295 2HG2 VAL 39 2HG2 VAL 39 -1.491 -2.107 0.491 296 3HG2 VAL 39 3HG2 VAL 39 -0.340 -0.858 0.989 297 H TYR 40 H TYR 40 -0.118 1.264 2.034 298 HA TYR 40 HA TYR 40 2.549 0.426 2.502 299 1HB TYR 40 2HB TYR 40 1.884 1.489 0.393 300 2HB TYR 40 1HB TYR 40 1.522 2.974 1.251 301 HD1 TYR 40 1HD TYR 40 4.329 0.652 0.487 302 HD2 TYR 40 2HD TYR 40 3.169 4.619 1.470 303 HE1 TYR 40 1HE TYR 40 6.629 1.420 0.079 304 HE2 TYR 40 2HE TYR 40 5.472 5.392 1.067 305 HH TYR 40 HH TYR 40 7.674 4.563 0.984 306 H ASP 41 H ASP 41 0.699 3.242 3.707 307 HA ASP 41 HA ASP 41 2.710 3.495 5.820 308 1HB ASP 41 2HB ASP 41 3.706 4.827 4.113 309 2HB ASP 41 1HB ASP 41 2.203 5.698 3.839 310 H ASN 42 H ASN 42 -0.166 5.197 4.511 311 HA ASN 42 HA ASN 42 -1.226 5.451 7.220 312 1HB ASN 42 2HB ASN 42 0.422 7.361 6.777 313 2HB ASN 42 1HB ASN 42 -0.662 7.865 5.491 314 1HD2 ASN 42 1HD2 ASN 42 -1.115 9.814 6.400 315 2HD2 ASN 42 2HD2 ASN 42 -2.035 9.987 7.849 316 H TRP 43 H TRP 43 -3.384 6.909 6.848 317 HA TRP 43 HA TRP 43 -4.834 5.570 4.831 318 1HB TRP 43 2HB TRP 43 -6.741 7.094 5.556 319 2HB TRP 43 1HB TRP 43 -6.048 6.073 6.808 320 HD1 TRP 43 HD TRP 43 -6.101 9.769 5.671 321 HE1 TRP 43 1HE TRP 43 -5.510 11.238 7.669 322 HE3 TRP 43 3HE TRP 43 -4.972 6.091 9.031 323 HZ2 TRP 43 2HZ TRP 43 -4.676 10.875 10.383 324 HZ3 TRP 43 3HZ TRP 43 -4.295 6.736 11.303 325 HH2 TRP 43 HH TRP 43 -4.149 9.081 11.958 326 HA PRO 44 HA PRO 44 -4.093 8.382 1.407 327 1HB PRO 44 2HB PRO 44 -6.119 7.467 -0.132 328 2HB PRO 44 1HB PRO 44 -4.562 6.656 -0.020 329 1HG PRO 44 2HG PRO 44 -7.132 6.062 1.391 330 2HG PRO 44 1HG PRO 44 -5.971 4.940 0.662 331 1HD PRO 44 2HD PRO 44 -6.058 5.281 3.265 332 2HD PRO 44 1HD PRO 44 -4.523 5.082 2.425 333 H MET 45 H MET 45 -5.059 10.120 0.482 334 HA MET 45 HA MET 45 -7.745 10.839 1.463 335 1HB MET 45 2HB MET 45 -5.489 12.721 0.691 336 2HB MET 45 1HB MET 45 -7.086 13.213 1.222 337 1HG MET 45 2HG MET 45 -4.976 11.817 2.866 338 2HG MET 45 1HG MET 45 -5.495 13.491 3.010 339 1HE MET 45 1HE MET 45 -7.975 14.186 3.869 340 2HE MET 45 2HE MET 45 -9.183 13.012 4.382 341 3HE MET 45 3HE MET 45 -8.720 13.109 2.685 342 H ASP 46 H ASP 46 -8.915 12.255 -0.195 343 HA ASP 46 HA ASP 46 -8.504 11.037 -2.772 344 1HB ASP 46 2HB ASP 46 -10.809 11.516 -1.947 345 2HB ASP 46 1HB ASP 46 -10.450 13.238 -2.030 346 H TRP 47 H TRP 47 -7.494 11.835 -4.487 347 HA TRP 47 HA TRP 47 -5.908 12.853 -5.531 348 1HB TRP 47 2HB TRP 47 -7.075 15.392 -4.347 349 2HB TRP 47 1HB TRP 47 -5.682 15.418 -5.414 350 HD1 TRP 47 HD TRP 47 -6.278 14.025 -7.897 351 HE1 TRP 47 1HE TRP 47 -8.323 14.441 -9.388 352 HE3 TRP 47 3HE TRP 47 -9.370 16.167 -4.433 353 HZ2 TRP 47 2HZ TRP 47 -10.913 15.540 -9.133 354 HZ3 TRP 47 3HZ TRP 47 -11.615 16.880 -5.149 355 HH2 TRP 47 HH TRP 47 -12.365 16.575 -7.448 356 H GLU 48 H GLU 48 -4.521 11.672 -4.474 357 HA GLU 48 HA GLU 48 -3.333 12.481 -1.992 358 1HB GLU 48 2HB GLU 48 -3.628 10.099 -2.912 359 2HB GLU 48 1HB GLU 48 -2.247 10.450 -3.940 360 1HG GLU 48 2HG GLU 48 -1.533 9.234 -2.003 361 2HG GLU 48 1HG GLU 48 -0.902 10.882 -1.927 362 H GLU 49 H GLU 49 -2.599 12.609 -5.364 363 HA GLU 49 HA GLU 49 -1.350 13.893 -6.658 364 1HB GLU 49 2HB GLU 49 -1.036 15.566 -4.195 365 2HB GLU 49 1HB GLU 49 -0.403 16.021 -5.768 366 1HG GLU 49 2HG GLU 49 -3.297 15.413 -5.232 367 2HG GLU 49 1HG GLU 49 -2.600 17.035 -5.257 368 H GLU 50 H GLU 50 0.325 13.401 -7.608 369 HA GLU 50 HA GLU 50 2.729 12.660 -6.169 370 1HB GLU 50 2HB GLU 50 1.866 11.216 -8.033 371 2HB GLU 50 1HB GLU 50 2.010 12.569 -9.129 372 1HG GLU 50 2HG GLU 50 4.358 11.279 -7.729 373 2HG GLU 50 1HG GLU 50 3.774 10.789 -9.308 374 H GLN 51 H GLN 51 1.752 14.689 -8.925 375 HA GLN 51 HA GLN 51 2.814 17.054 -7.806 376 1HB GLN 51 2HB GLN 51 4.962 16.096 -8.505 377 2HB GLN 51 1HB GLN 51 4.353 15.894 -10.143 378 1HG GLN 51 2HG GLN 51 4.126 18.311 -10.367 379 2HG GLN 51 1HG GLN 51 4.706 18.526 -8.721 380 1HE2 GLN 51 1HE2 GLN 51 6.862 18.197 -8.292 381 2HE2 GLN 51 2HE2 GLN 51 8.067 18.146 -9.523 382 H VAL 52 H VAL 52 1.088 18.206 -8.282 383 HA VAL 52 HA VAL 52 -0.518 19.308 -9.363 384 HB VAL 52 HB VAL 52 1.440 19.344 -11.677 385 1HG1 VAL 52 1HG1 VAL 52 0.309 21.428 -12.338 386 2HG1 VAL 52 2HG1 VAL 52 -0.847 21.209 -11.024 387 3HG1 VAL 52 3HG1 VAL 52 -0.795 20.052 -12.351 388 1HG2 VAL 52 1HG2 VAL 52 2.471 20.166 -9.627 389 2HG2 VAL 52 2HG2 VAL 52 1.122 21.274 -9.374 390 3HG2 VAL 52 3HG2 VAL 52 2.198 21.495 -10.752 391 H SER 53 H SER 53 -2.055 17.728 -9.353 392 HA SER 53 HA SER 53 -3.670 16.503 -10.161 393 1HB SER 53 2HB SER 53 -2.781 17.518 -12.869 394 2HB SER 53 1HB SER 53 -4.300 16.675 -12.556 395 HG SER 53 HG SER 53 -3.525 19.041 -11.214 396 H SER 54 H SER 54 -2.896 14.581 -9.485 397 HA SER 54 HA SER 54 -1.627 13.004 -11.614 398 1HB SER 54 2HB SER 54 -1.067 12.732 -8.669 399 2HB SER 54 1HB SER 54 -0.256 11.902 -9.996 400 HG SER 54 HG SER 54 -0.193 14.515 -10.436 401 HA PRO 55 HA PRO 55 -5.181 10.535 -10.132 402 1HB PRO 55 2HB PRO 55 -6.636 10.462 -12.331 403 2HB PRO 55 1HB PRO 55 -6.745 11.842 -11.224 404 1HG PRO 55 2HG PRO 55 -5.494 11.669 -13.916 405 2HG PRO 55 1HG PRO 55 -6.109 13.087 -13.054 406 1HD PRO 55 2HD PRO 55 -3.388 12.233 -13.289 407 2HD PRO 55 1HD PRO 55 -4.015 13.597 -12.342 408 H ASN 56 H ASN 56 -3.121 10.394 -12.898 409 HA ASN 56 HA ASN 56 -3.893 7.758 -13.760 410 1HB ASN 56 2HB ASN 56 -2.159 8.045 -15.467 411 2HB ASN 56 1HB ASN 56 -3.226 9.444 -15.418 412 1HD2 ASN 56 1HD2 ASN 56 -0.476 9.171 -16.421 413 2HD2 ASN 56 2HD2 ASN 56 0.446 10.349 -15.555 414 H ILE 57 H ILE 57 -2.103 8.891 -11.300 415 HA ILE 57 HA ILE 57 0.065 7.023 -11.506 416 HB ILE 57 HB ILE 57 0.853 7.945 -9.341 417 1HG1 ILE 57 2HG1 ILE 57 -0.290 10.125 -8.556 418 2HG1 ILE 57 1HG1 ILE 57 -1.680 9.597 -9.501 419 1HG2 ILE 57 1HG2 ILE 57 1.408 10.180 -10.165 420 2HG2 ILE 57 2HG2 ILE 57 0.162 10.019 -11.399 421 3HG2 ILE 57 3HG2 ILE 57 1.561 8.956 -11.429 422 1HD1 ILE 57 1HD1 ILE 57 -0.474 8.146 -7.153 423 2HD1 ILE 57 2HD1 ILE 57 -1.873 7.625 -8.085 424 3HD1 ILE 57 3HD1 ILE 57 -1.953 9.110 -7.132 425 H LEU 58 H LEU 58 -3.068 6.970 -10.363 426 HA LEU 58 HA LEU 58 -2.669 4.853 -8.428 427 1HB LEU 58 2HB LEU 58 -5.177 6.059 -9.614 428 2HB LEU 58 1HB LEU 58 -5.165 4.835 -8.370 429 HG LEU 58 HG LEU 58 -4.110 7.651 -8.066 430 1HD1 LEU 58 1HD1 LEU 58 -6.612 6.336 -7.016 431 2HD1 LEU 58 2HD1 LEU 58 -6.535 7.577 -8.265 432 3HD1 LEU 58 3HD1 LEU 58 -6.051 7.957 -6.613 433 1HD2 LEU 58 1HD2 LEU 58 -4.444 5.430 -6.042 434 2HD2 LEU 58 2HD2 LEU 58 -3.959 7.087 -5.684 435 3HD2 LEU 58 3HD2 LEU 58 -2.908 6.052 -6.648 436 H ARG 59 H ARG 59 -2.247 2.873 -9.211 437 HA ARG 59 HA ARG 59 -3.812 1.893 -11.467 438 1HB ARG 59 2HB ARG 59 -0.835 1.820 -11.225 439 2HB ARG 59 1HB ARG 59 -1.739 0.929 -12.452 440 1HG ARG 59 2HG ARG 59 -2.457 2.975 -13.441 441 2HG ARG 59 1HG ARG 59 -1.697 3.938 -12.162 442 1HD ARG 59 2HD ARG 59 0.493 2.910 -12.897 443 2HD ARG 59 1HD ARG 59 -0.371 2.248 -14.284 444 HE ARG 59 HE ARG 59 -0.899 4.982 -14.097 445 1HH1 ARG 59 1HH1 ARG 59 1.799 2.842 -14.956 446 2HH1 ARG 59 2HH1 ARG 59 2.564 3.976 -15.949 447 1HH2 ARG 59 1HH2 ARG 59 0.170 6.538 -15.461 448 2HH2 ARG 59 2HH2 ARG 59 1.646 6.155 -16.217 449 H LEU 60 H LEU 60 -4.159 -0.308 -11.334 450 HA LEU 60 HA LEU 60 -2.947 -1.658 -9.065 451 1HB LEU 60 2HB LEU 60 -5.150 -2.647 -8.509 452 2HB LEU 60 1HB LEU 60 -5.084 -0.916 -8.285 453 HG LEU 60 HG LEU 60 -6.171 -0.867 -10.668 454 1HD1 LEU 60 1HD1 LEU 60 -7.721 -2.672 -11.080 455 2HD1 LEU 60 2HD1 LEU 60 -7.009 -3.592 -9.753 456 3HD1 LEU 60 3HD1 LEU 60 -6.041 -3.200 -11.178 457 1HD2 LEU 60 1HD2 LEU 60 -8.323 -0.747 -9.702 458 2HD2 LEU 60 2HD2 LEU 60 -7.166 -0.068 -8.546 459 3HD2 LEU 60 3HD2 LEU 60 -7.808 -1.711 -8.336 460 H ILE 61 H ILE 61 -2.271 -3.653 -9.440 461 HA ILE 61 HA ILE 61 -2.880 -4.799 -12.052 462 HB ILE 61 HB ILE 61 -0.502 -5.126 -10.230 463 1HG1 ILE 61 2HG1 ILE 61 -0.721 -4.125 -13.037 464 2HG1 ILE 61 1HG1 ILE 61 -0.637 -3.089 -11.625 465 1HG2 ILE 61 1HG2 ILE 61 -1.037 -7.295 -11.256 466 2HG2 ILE 61 2HG2 ILE 61 0.440 -6.618 -11.955 467 3HG2 ILE 61 3HG2 ILE 61 -1.081 -6.525 -12.845 468 1HD1 ILE 61 1HD1 ILE 61 1.618 -4.031 -11.152 469 2HD1 ILE 61 2HD1 ILE 61 1.533 -3.258 -12.738 470 3HD1 ILE 61 3HD1 ILE 61 1.482 -5.015 -12.610 471 H TYR 62 H TYR 62 -4.107 -6.476 -12.055 472 HA TYR 62 HA TYR 62 -4.568 -7.847 -9.526 473 1HB TYR 62 2HB TYR 62 -6.515 -6.788 -10.690 474 2HB TYR 62 1HB TYR 62 -6.237 -7.873 -12.042 475 HD1 TYR 62 1HD TYR 62 -7.619 -9.752 -12.145 476 HD2 TYR 62 2HD TYR 62 -6.719 -8.056 -8.364 477 HE1 TYR 62 1HE TYR 62 -9.137 -11.362 -11.064 478 HE2 TYR 62 2HE TYR 62 -8.195 -9.668 -7.270 479 HH TYR 62 HH TYR 62 -10.202 -10.943 -7.965 480 H GLN 63 H GLN 63 -2.722 -9.021 -9.633 481 HA GLN 63 HA GLN 63 -1.460 -10.817 -9.946 482 1HB GLN 63 2HB GLN 63 -4.038 -11.905 -11.027 483 2HB GLN 63 1HB GLN 63 -2.603 -12.873 -10.688 484 1HG GLN 63 2HG GLN 63 -2.657 -12.357 -8.413 485 2HG GLN 63 1HG GLN 63 -3.920 -11.152 -8.609 486 1HE2 GLN 63 1HE2 GLN 63 -6.046 -11.910 -8.984 487 2HE2 GLN 63 2HE2 GLN 63 -6.507 -13.534 -8.621 488 H GLY 64 H GLY 64 -1.776 -8.866 -12.288 489 1HA GLY 64 2HA GLY 64 0.273 -9.692 -13.831 490 2HA GLY 64 1HA GLY 64 -1.097 -10.511 -14.559 491 H ARG 65 H ARG 65 -3.065 -8.681 -14.505 492 HA ARG 65 HA ARG 65 -1.874 -6.532 -16.130 493 1HB ARG 65 2HB ARG 65 -3.774 -6.500 -17.592 494 2HB ARG 65 1HB ARG 65 -3.255 -8.160 -17.440 495 1HG ARG 65 2HG ARG 65 -5.648 -6.910 -16.079 496 2HG ARG 65 1HG ARG 65 -5.694 -7.932 -17.505 497 1HD ARG 65 2HD ARG 65 -4.715 -9.776 -16.086 498 2HD ARG 65 1HD ARG 65 -4.894 -8.657 -14.720 499 HE ARG 65 HE ARG 65 -7.325 -8.836 -16.037 500 1HH1 ARG 65 1HH1 ARG 65 -5.263 -10.883 -13.999 501 2HH1 ARG 65 2HH1 ARG 65 -6.547 -11.800 -13.374 502 1HH2 ARG 65 1HH2 ARG 65 -9.101 -10.112 -15.140 503 2HH2 ARG 65 2HH2 ARG 65 -8.771 -11.347 -14.016 504 H PHE 66 H PHE 66 -2.927 -4.467 -16.175 505 HA PHE 66 HA PHE 66 -3.902 -3.662 -13.586 506 1HB PHE 66 2HB PHE 66 -3.710 -2.069 -16.172 507 2HB PHE 66 1HB PHE 66 -4.038 -1.383 -14.601 508 HD1 PHE 66 1HD PHE 66 -1.497 -2.650 -16.866 509 HD2 PHE 66 2HD PHE 66 -2.184 -1.119 -12.936 510 HE1 PHE 66 1HE PHE 66 0.895 -2.174 -16.611 511 HE2 PHE 66 2HE PHE 66 0.170 -0.655 -12.709 512 HZ PHE 66 HZ PHE 66 1.732 -1.172 -14.525 513 H LEU 67 H LEU 67 -5.995 -3.751 -13.067 514 HA LEU 67 HA LEU 67 -7.875 -4.292 -15.193 515 1HB LEU 67 2HB LEU 67 -8.435 -4.159 -12.241 516 2HB LEU 67 1HB LEU 67 -9.699 -4.372 -13.427 517 HG LEU 67 HG LEU 67 -7.430 -6.269 -12.826 518 1HD1 LEU 67 1HD1 LEU 67 -10.423 -6.541 -12.515 519 2HD1 LEU 67 2HD1 LEU 67 -9.261 -6.357 -11.219 520 3HD1 LEU 67 3HD1 LEU 67 -9.245 -7.807 -12.201 521 1HD2 LEU 67 1HD2 LEU 67 -8.456 -7.754 -14.497 522 2HD2 LEU 67 2HD2 LEU 67 -7.803 -6.291 -15.211 523 3HD2 LEU 67 3HD2 LEU 67 -9.549 -6.455 -14.972 524 H HIS 68 H HIS 68 -7.474 -1.595 -12.945 525 HA HIS 68 HA HIS 68 -8.445 0.199 -14.901 526 1HB HIS 68 2HB HIS 68 -10.564 -0.906 -13.834 527 2HB HIS 68 1HB HIS 68 -10.093 -0.049 -12.375 528 HD1 HIS 68 1HD HIS 68 -11.843 1.831 -12.160 529 HD2 HIS 68 2HD HIS 68 -10.429 1.350 -16.054 530 HE1 HIS 68 1HE HIS 68 -12.892 3.616 -13.470 531 HE2 HIS 68 2HE HIS 68 -12.312 3.092 -15.840 532 H GLY 69 H GLY 69 -8.448 2.519 -13.666 533 1HA GLY 69 2HA GLY 69 -5.963 2.658 -12.335 534 2HA GLY 69 1HA GLY 69 -7.099 3.972 -12.567 535 H ASN 70 H ASN 70 -9.186 2.258 -11.082 536 HA ASN 70 HA ASN 70 -8.441 1.901 -8.457 537 1HB ASN 70 2HB ASN 70 -7.959 4.344 -8.437 538 2HB ASN 70 1HB ASN 70 -9.595 4.668 -8.980 539 1HD2 ASN 70 1HD2 ASN 70 -11.251 4.589 -7.532 540 2HD2 ASN 70 2HD2 ASN 70 -11.044 4.420 -5.829 541 H VAL 71 H VAL 71 -9.707 0.241 -9.343 542 HA VAL 71 HA VAL 71 -12.625 0.650 -9.161 543 HB VAL 71 HB VAL 71 -11.788 -0.269 -11.307 544 1HG1 VAL 71 1HG1 VAL 71 -10.851 -2.550 -11.401 545 2HG1 VAL 71 2HG1 VAL 71 -10.651 -2.442 -9.638 546 3HG1 VAL 71 3HG1 VAL 71 -9.799 -1.327 -10.708 547 1HG2 VAL 71 1HG2 VAL 71 -13.243 -2.234 -9.632 548 2HG2 VAL 71 2HG2 VAL 71 -13.145 -2.278 -11.394 549 3HG2 VAL 71 3HG2 VAL 71 -13.977 -0.936 -10.585 550 H THR 72 H THR 72 -13.878 -0.780 -7.915 551 HA THR 72 HA THR 72 -12.598 -1.179 -5.405 552 HB THR 72 HB THR 72 -14.913 -1.862 -4.708 553 HG1 THR 72 1HG THR 72 -16.533 -1.311 -6.380 554 1HG2 THR 72 1HG2 THR 72 -14.175 0.482 -4.557 555 2HG2 THR 72 2HG2 THR 72 -15.885 0.383 -4.968 556 3HG2 THR 72 3HG2 THR 72 -14.699 0.753 -6.219 557 H LEU 73 H LEU 73 -12.751 -3.189 -4.194 558 HA LEU 73 HA LEU 73 -11.686 -5.380 -5.611 559 1HB LEU 73 2HB LEU 73 -12.897 -5.434 -2.866 560 2HB LEU 73 1HB LEU 73 -11.769 -6.581 -3.540 561 HG LEU 73 HG LEU 73 -10.472 -5.395 -2.114 562 1HD1 LEU 73 1HD1 LEU 73 -10.118 -3.961 -4.679 563 2HD1 LEU 73 2HD1 LEU 73 -9.306 -5.443 -4.146 564 3HD1 LEU 73 3HD1 LEU 73 -8.982 -3.907 -3.346 565 1HD2 LEU 73 1HD2 LEU 73 -11.784 -2.800 -2.906 566 2HD2 LEU 73 2HD2 LEU 73 -10.483 -2.999 -1.740 567 3HD2 LEU 73 3HD2 LEU 73 -12.058 -3.718 -1.427 568 H GLY 74 H GLY 74 -14.907 -4.560 -4.730 569 1HA GLY 74 2HA GLY 74 -16.082 -7.115 -5.081 570 2HA GLY 74 1HA GLY 74 -16.940 -5.585 -5.217 571 H ALA 75 H ALA 75 -15.339 -4.466 -7.261 572 HA ALA 75 HA ALA 75 -16.490 -5.765 -9.543 573 1HB ALA 75 1HB ALA 75 -16.485 -3.333 -9.416 574 2HB ALA 75 2HB ALA 75 -15.487 -3.828 -10.786 575 3HB ALA 75 3HB ALA 75 -14.740 -3.301 -9.287 576 H LEU 76 H LEU 76 -13.530 -5.869 -7.848 577 HA LEU 76 HA LEU 76 -11.922 -6.938 -10.006 578 1HB LEU 76 2HB LEU 76 -11.479 -6.806 -7.052 579 2HB LEU 76 1HB LEU 76 -10.278 -7.307 -8.220 580 HG LEU 76 HG LEU 76 -11.460 -4.527 -8.027 581 1HD1 LEU 76 1HD1 LEU 76 -9.339 -3.926 -7.120 582 2HD1 LEU 76 2HD1 LEU 76 -8.752 -5.570 -7.372 583 3HD1 LEU 76 3HD1 LEU 76 -9.957 -5.271 -6.147 584 1HD2 LEU 76 1HD2 LEU 76 -9.647 -3.975 -9.500 585 2HD2 LEU 76 2HD2 LEU 76 -10.737 -5.156 -10.255 586 3HD2 LEU 76 3HD2 LEU 76 -9.187 -5.662 -9.525 587 H LYS 77 H LYS 77 -14.413 -8.149 -8.304 588 HA LYS 77 HA LYS 77 -15.298 -10.194 -8.023 589 1HB LYS 77 2HB LYS 77 -12.899 -11.203 -9.579 590 2HB LYS 77 1HB LYS 77 -14.217 -12.226 -9.047 591 1HG LYS 77 2HG LYS 77 -14.545 -11.744 -11.361 592 2HG LYS 77 1HG LYS 77 -15.755 -10.835 -10.462 593 1HD LYS 77 2HD LYS 77 -14.323 -8.834 -10.634 594 2HD LYS 77 1HD LYS 77 -13.168 -9.776 -11.571 595 1HE LYS 77 2HE LYS 77 -14.831 -10.134 -13.307 596 2HE LYS 77 1HE LYS 77 -16.038 -9.275 -12.354 597 1HZ LYS 77 1HZ LYS 77 -14.698 -7.287 -12.514 598 2HZ LYS 77 2HZ LYS 77 -15.068 -7.851 -14.064 599 3HZ LYS 77 3HZ LYS 77 -13.535 -8.099 -13.421 600 H LEU 78 H LEU 78 -13.211 -9.066 -6.082 601 HA LEU 78 HA LEU 78 -12.052 -11.363 -4.965 602 1HB LEU 78 2HB LEU 78 -12.439 -8.616 -3.848 603 2HB LEU 78 1HB LEU 78 -11.968 -9.910 -2.772 604 HG LEU 78 HG LEU 78 -9.998 -10.309 -4.242 605 1HD1 LEU 78 1HD1 LEU 78 -9.256 -8.551 -5.724 606 2HD1 LEU 78 2HD1 LEU 78 -10.780 -7.707 -5.459 607 3HD1 LEU 78 3HD1 LEU 78 -10.771 -9.278 -6.269 608 1HD2 LEU 78 1HD2 LEU 78 -8.700 -8.476 -3.382 609 2HD2 LEU 78 2HD2 LEU 78 -9.802 -9.103 -2.154 610 3HD2 LEU 78 3HD2 LEU 78 -10.161 -7.587 -2.981 611 HA PRO 79 HA PRO 79 -15.690 -12.819 -2.920 612 1HB PRO 79 2HB PRO 79 -14.375 -15.117 -1.994 613 2HB PRO 79 1HB PRO 79 -15.321 -14.968 -3.473 614 1HG PRO 79 2HG PRO 79 -12.533 -15.406 -3.331 615 2HG PRO 79 1HG PRO 79 -13.450 -14.945 -4.767 616 1HD PRO 79 2HD PRO 79 -11.809 -13.277 -2.948 617 2HD PRO 79 1HD PRO 79 -12.149 -13.139 -4.695 618 H PHE 80 H PHE 80 -16.441 -12.595 -0.943 619 HA PHE 80 HA PHE 80 -14.671 -11.738 1.086 620 1HB PHE 80 2HB PHE 80 -16.901 -11.715 2.473 621 2HB PHE 80 1HB PHE 80 -16.602 -10.489 1.255 622 HD1 PHE 80 1HD PHE 80 -18.017 -10.214 -0.536 623 HD2 PHE 80 2HD PHE 80 -18.397 -13.663 1.916 624 HE1 PHE 80 1HE PHE 80 -20.147 -10.778 -1.667 625 HE2 PHE 80 2HE PHE 80 -20.519 -14.238 0.804 626 HZ PHE 80 HZ PHE 80 -21.396 -12.795 -0.992 627 H GLY 81 H GLY 81 -13.900 -12.701 2.719 628 1HA GLY 81 2HA GLY 81 -13.566 -14.415 4.244 629 2HA GLY 81 1HA GLY 81 -14.720 -15.423 3.425 630 H LYS 82 H LYS 82 -12.878 -14.232 0.966 631 HA LYS 82 HA LYS 82 -11.017 -16.466 1.229 632 1HB LYS 82 2HB LYS 82 -12.229 -15.365 -1.272 633 2HB LYS 82 1HB LYS 82 -11.011 -16.634 -1.206 634 1HG LYS 82 2HG LYS 82 -12.637 -17.968 0.191 635 2HG LYS 82 1HG LYS 82 -13.823 -16.703 -0.210 636 1HD LYS 82 2HD LYS 82 -13.472 -17.067 -2.509 637 2HD LYS 82 1HD LYS 82 -12.289 -18.330 -2.209 638 1HE LYS 82 2HE LYS 82 -14.046 -19.652 -1.033 639 2HE LYS 82 1HE LYS 82 -15.228 -18.419 -1.473 640 1HZ LYS 82 1HZ LYS 82 -15.304 -20.272 -3.001 641 2HZ LYS 82 2HZ LYS 82 -13.685 -20.114 -3.366 642 3HZ LYS 82 3HZ LYS 82 -14.769 -18.908 -3.828 643 H THR 83 H THR 83 -8.912 -16.205 0.380 644 HA THR 83 HA THR 83 -7.879 -13.525 0.724 645 HB THR 83 HB THR 83 -6.419 -16.107 0.125 646 HG1 THR 83 1HG THR 83 -7.823 -15.595 2.236 647 1HG2 THR 83 1HG2 THR 83 -5.538 -13.501 1.350 648 2HG2 THR 83 2HG2 THR 83 -5.116 -14.044 -0.267 649 3HG2 THR 83 3HG2 THR 83 -4.490 -14.914 1.153 650 H THR 84 H THR 84 -7.067 -12.237 -0.896 651 HA THR 84 HA THR 84 -6.634 -13.430 -3.525 652 HB THR 84 HB THR 84 -8.165 -10.845 -3.119 653 HG1 THR 84 1HG THR 84 -9.438 -12.535 -2.479 654 1HG2 THR 84 1HG2 THR 84 -7.669 -12.550 -5.579 655 2HG2 THR 84 2HG2 THR 84 -6.915 -10.994 -5.235 656 3HG2 THR 84 3HG2 THR 84 -8.644 -11.081 -5.537 657 H VAL 85 H VAL 85 -4.789 -12.662 -4.468 658 HA VAL 85 HA VAL 85 -3.346 -10.547 -3.047 659 HB VAL 85 HB VAL 85 -2.169 -12.714 -3.247 660 1HG1 VAL 85 1HG1 VAL 85 -2.311 -12.228 -6.205 661 2HG1 VAL 85 2HG1 VAL 85 -3.092 -13.525 -5.310 662 3HG1 VAL 85 3HG1 VAL 85 -1.331 -13.480 -5.440 663 1HG2 VAL 85 1HG2 VAL 85 -0.814 -10.693 -3.108 664 2HG2 VAL 85 2HG2 VAL 85 -0.899 -10.502 -4.856 665 3HG2 VAL 85 3HG2 VAL 85 -0.033 -11.874 -4.164 666 H MET 86 H MET 86 -2.655 -8.691 -3.968 667 HA MET 86 HA MET 86 -3.011 -8.381 -6.832 668 1HB MET 86 2HB MET 86 -4.088 -6.460 -4.755 669 2HB MET 86 1HB MET 86 -3.914 -6.103 -6.464 670 1HG MET 86 2HG MET 86 -5.438 -7.933 -6.973 671 2HG MET 86 1HG MET 86 -5.644 -8.227 -5.252 672 1HE MET 86 1HE MET 86 -6.130 -5.631 -8.154 673 2HE MET 86 2HE MET 86 -5.273 -4.642 -6.955 674 3HE MET 86 3HE MET 86 -6.972 -4.337 -7.312 675 H HIS 87 H HIS 87 -1.763 -6.710 -7.720 676 HA HIS 87 HA HIS 87 0.541 -5.999 -6.038 677 1HB HIS 87 2HB HIS 87 0.443 -6.241 -9.077 678 2HB HIS 87 1HB HIS 87 1.814 -5.810 -8.042 679 HD1 HIS 87 1HD HIS 87 3.399 -7.666 -7.767 680 HD2 HIS 87 2HD HIS 87 -0.464 -9.102 -8.375 681 HE1 HIS 87 1HE HIS 87 3.596 -10.153 -7.832 682 HE2 HIS 87 2HE HIS 87 1.276 -11.004 -8.151 683 H LEU 88 H LEU 88 0.818 -3.805 -5.754 684 HA LEU 88 HA LEU 88 -0.965 -2.137 -7.368 685 1HB LEU 88 2HB LEU 88 -0.140 -1.796 -4.484 686 2HB LEU 88 1HB LEU 88 -0.965 -0.568 -5.410 687 HG LEU 88 HG LEU 88 -2.532 -1.660 -3.962 688 1HD1 LEU 88 1HD1 LEU 88 -3.393 -0.962 -6.092 689 2HD1 LEU 88 2HD1 LEU 88 -4.216 -2.411 -5.522 690 3HD1 LEU 88 3HD1 LEU 88 -3.002 -2.534 -6.792 691 1HD2 LEU 88 1HD2 LEU 88 -1.419 -3.784 -3.611 692 2HD2 LEU 88 2HD2 LEU 88 -1.729 -4.248 -5.282 693 3HD2 LEU 88 3HD2 LEU 88 -3.075 -4.055 -4.160 694 H VAL 89 H VAL 89 -0.186 -0.263 -8.225 695 HA VAL 89 HA VAL 89 2.609 0.261 -7.654 696 HB VAL 89 HB VAL 89 3.189 0.612 -9.930 697 1HG1 VAL 89 1HG1 VAL 89 2.867 -1.548 -11.003 698 2HG1 VAL 89 2HG1 VAL 89 1.592 -1.909 -9.870 699 3HG1 VAL 89 3HG1 VAL 89 3.258 -1.735 -9.283 700 1HG2 VAL 89 1HG2 VAL 89 0.324 0.108 -10.695 701 2HG2 VAL 89 2HG2 VAL 89 1.669 0.377 -11.820 702 3HG2 VAL 89 3HG2 VAL 89 1.163 1.659 -10.723 703 H ALA 90 H ALA 90 3.140 2.348 -7.611 704 HA ALA 90 HA ALA 90 1.117 4.331 -8.289 705 1HB ALA 90 1HB ALA 90 1.732 5.609 -6.357 706 2HB ALA 90 2HB ALA 90 2.936 4.410 -5.866 707 3HB ALA 90 3HB ALA 90 1.209 4.017 -5.809 708 H ARG 91 H ARG 91 2.124 6.311 -9.046 709 HA ARG 91 HA ARG 91 4.730 5.521 -10.203 710 1HB ARG 91 2HB ARG 91 2.404 6.114 -11.493 711 2HB ARG 91 1HB ARG 91 3.117 7.708 -11.364 712 1HG ARG 91 2HG ARG 91 4.435 5.333 -12.646 713 2HG ARG 91 1HG ARG 91 3.554 6.576 -13.508 714 1HD ARG 91 2HD ARG 91 5.216 8.238 -12.777 715 2HD ARG 91 1HD ARG 91 6.069 6.958 -11.894 716 HE ARG 91 HE ARG 91 5.910 5.902 -14.295 717 1HH1 ARG 91 1HH1 ARG 91 7.129 9.193 -13.392 718 2HH1 ARG 91 2HH1 ARG 91 8.139 9.234 -14.744 719 1HH2 ARG 91 1HH2 ARG 91 7.352 6.112 -16.105 720 2HH2 ARG 91 2HH2 ARG 91 8.295 7.522 -16.264 721 H GLU 92 H GLU 92 6.242 6.475 -8.979 722 HA GLU 92 HA GLU 92 7.421 7.972 -7.743 723 1HB GLU 92 2HB GLU 92 6.081 9.939 -9.608 724 2HB GLU 92 1HB GLU 92 7.541 10.243 -8.672 725 1HG GLU 92 2HG GLU 92 8.702 8.500 -9.874 726 2HG GLU 92 1HG GLU 92 7.247 8.135 -10.789 727 H THR 93 H THR 93 4.701 7.316 -6.853 728 HA THR 93 HA THR 93 3.654 9.784 -5.846 729 HB THR 93 HB THR 93 2.551 7.030 -5.531 730 HG1 THR 93 1HG THR 93 2.818 8.584 -7.726 731 1HG2 THR 93 1HG2 THR 93 0.409 8.223 -5.196 732 2HG2 THR 93 2HG2 THR 93 1.253 9.760 -5.352 733 3HG2 THR 93 3HG2 THR 93 1.610 8.695 -3.994 734 H LEU 94 H LEU 94 4.436 10.420 -3.868 735 HA LEU 94 HA LEU 94 5.335 8.514 -1.912 736 1HB LEU 94 2HB LEU 94 5.058 11.538 -1.841 737 2HB LEU 94 1HB LEU 94 5.630 10.592 -0.494 738 HG LEU 94 HG LEU 94 7.603 9.911 -1.888 739 1HD1 LEU 94 1HD1 LEU 94 8.152 11.198 -3.880 740 2HD1 LEU 94 2HD1 LEU 94 6.575 11.981 -3.810 741 3HD1 LEU 94 3HD1 LEU 94 6.686 10.243 -4.102 742 1HD2 LEU 94 1HD2 LEU 94 8.755 12.060 -1.685 743 2HD2 LEU 94 2HD2 LEU 94 7.767 11.706 -0.268 744 3HD2 LEU 94 3HD2 LEU 94 7.205 12.868 -1.465 745 HA PRO 95 HA PRO 95 1.376 8.369 0.137 746 1HB PRO 95 2HB PRO 95 2.171 8.062 2.751 747 2HB PRO 95 1HB PRO 95 2.186 6.738 1.582 748 1HG PRO 95 2HG PRO 95 4.433 8.472 2.509 749 2HG PRO 95 1HG PRO 95 4.427 6.731 2.193 750 1HD PRO 95 2HD PRO 95 5.432 8.551 0.425 751 2HD PRO 95 1HD PRO 95 4.695 7.045 -0.122 752 H GLU 96 H GLU 96 0.961 10.443 -0.413 753 HA GLU 96 HA GLU 96 0.500 12.539 -0.417 754 1HB GLU 96 2HB GLU 96 -0.093 13.830 1.527 755 2HB GLU 96 1HB GLU 96 -0.594 12.193 1.871 756 1HG GLU 96 2HG GLU 96 1.200 11.907 3.404 757 2HG GLU 96 1HG GLU 96 1.961 13.408 2.882 758 HA PRO 97 HA PRO 97 4.386 14.544 -0.883 759 1HB PRO 97 2HB PRO 97 3.530 17.139 -1.110 760 2HB PRO 97 1HB PRO 97 3.416 15.969 -2.434 761 1HG PRO 97 2HG PRO 97 1.319 16.886 -0.508 762 2HG PRO 97 1HG PRO 97 1.185 16.567 -2.246 763 1HD PRO 97 2HD PRO 97 0.311 14.822 -0.389 764 2HD PRO 97 1HD PRO 97 0.988 14.296 -1.940 765 H ASN 98 H ASN 98 2.375 14.829 1.715 766 HA ASN 98 HA ASN 98 2.498 15.423 3.860 767 1HB ASN 98 2HB ASN 98 5.345 16.219 3.254 768 2HB ASN 98 1HB ASN 98 4.619 16.303 4.860 769 1HD2 ASN 98 1HD2 ASN 98 6.877 14.698 3.906 770 2HD2 ASN 98 2HD2 ASN 98 6.436 13.052 4.225 771 H SER 99 H SER 99 2.331 17.312 1.427 772 HA SER 99 HA SER 99 2.388 19.851 2.775 773 1HB SER 99 2HB SER 99 1.404 19.124 0.015 774 2HB SER 99 1HB SER 99 1.811 20.739 0.607 775 HG SER 99 HG SER 99 3.899 19.405 1.133 776 H GLN 100 H GLN 100 0.278 17.239 2.513 777 HA GLN 100 HA GLN 100 -2.153 18.854 2.689 778 1HB GLN 100 2HB GLN 100 -1.784 15.856 2.960 779 2HB GLN 100 1HB GLN 100 -3.326 16.672 3.012 780 1HG GLN 100 2HG GLN 100 -2.924 17.438 0.709 781 2HG GLN 100 1HG GLN 100 -1.457 16.435 0.708 782 1HE2 GLN 100 1HE2 GLN 100 -1.682 14.166 0.717 783 2HE2 GLN 100 2HE2 GLN 100 -3.124 13.370 0.326 784 H GLY 101 H GLY 101 -0.366 16.457 4.624 785 1HA GLY 101 2HA GLY 101 -0.122 16.197 6.840 786 2HA GLY 101 1HA GLY 101 -0.592 17.889 7.042 787 H GLN 102 H GLN 102 -2.649 15.760 5.343 788 HA GLN 102 HA GLN 102 -4.654 16.355 7.254 789 1HB GLN 102 2HB GLN 102 -4.833 14.813 4.673 790 2HB GLN 102 1HB GLN 102 -6.217 15.189 5.696 791 1HG GLN 102 2HG GLN 102 -5.844 17.545 5.422 792 2HG GLN 102 1HG GLN 102 -4.399 17.269 4.473 793 1HE2 GLN 102 1HE2 GLN 102 -5.152 18.322 2.671 794 2HE2 GLN 102 2HE2 GLN 102 -6.442 17.747 1.700 795 H ARG 103 H ARG 103 -4.847 15.371 8.951 796 HA ARG 103 HA ARG 103 -4.377 12.489 9.105 797 1HB ARG 103 2HB ARG 103 -4.109 12.904 11.575 798 2HB ARG 103 1HB ARG 103 -2.894 13.672 10.561 799 1HG ARG 103 2HG ARG 103 -4.197 15.785 10.719 800 2HG ARG 103 1HG ARG 103 -5.257 14.985 11.879 801 1HD ARG 103 2HD ARG 103 -3.401 14.629 13.379 802 2HD ARG 103 1HD ARG 103 -2.277 15.292 12.190 803 HE ARG 103 HE ARG 103 -4.455 16.909 13.292 804 1HH1 ARG 103 1HH1 ARG 103 -0.989 16.422 12.743 805 2HH1 ARG 103 2HH1 ARG 103 -0.557 17.994 13.212 806 1HH2 ARG 103 1HH2 ARG 103 -3.866 19.042 13.947 807 2HH2 ARG 103 2HH2 ARG 103 -2.257 19.553 13.950 808 H ASN 104 H ASN 104 -6.682 14.526 8.602 809 HA ASN 104 HA ASN 104 -8.740 13.355 10.277 810 1HB ASN 104 2HB ASN 104 -8.881 15.759 9.900 811 2HB ASN 104 1HB ASN 104 -8.763 15.519 8.163 812 1HD2 ASN 104 1HD2 ASN 104 -10.685 16.637 7.823 813 2HD2 ASN 104 2HD2 ASN 104 -12.227 15.964 8.209 814 H ARG 105 H ARG 105 -9.947 11.721 9.569 815 HA ARG 105 HA ARG 105 -9.376 10.319 7.194 816 1HB ARG 105 2HB ARG 105 -11.755 10.196 9.042 817 2HB ARG 105 1HB ARG 105 -11.529 9.105 7.688 818 1HG ARG 105 2HG ARG 105 -9.607 9.379 9.994 819 2HG ARG 105 1HG ARG 105 -10.869 8.148 9.871 820 1HD ARG 105 2HD ARG 105 -9.872 7.376 7.781 821 2HD ARG 105 1HD ARG 105 -8.560 8.548 7.967 822 HE ARG 105 HE ARG 105 -8.256 7.283 10.191 823 1HH1 ARG 105 1HH1 ARG 105 -9.116 5.840 7.071 824 2HH1 ARG 105 2HH1 ARG 105 -8.488 4.305 7.448 825 1HH2 ARG 105 1HH2 ARG 105 -7.369 5.195 10.698 826 2HH2 ARG 105 2HH2 ARG 105 -7.460 3.928 9.557 827 H GLU 106 H GLU 106 -11.674 12.811 7.986 828 HA GLU 106 HA GLU 106 -13.014 14.152 6.808 829 1HB GLU 106 2HB GLU 106 -11.176 14.296 5.158 830 2HB GLU 106 1HB GLU 106 -11.794 12.871 4.345 831 1HG GLU 106 2HG GLU 106 -13.798 14.073 3.721 832 2HG GLU 106 1HG GLU 106 -13.237 15.488 4.613 833 H LYS 107 H LYS 107 -12.923 10.914 5.665 834 HA LYS 107 HA LYS 107 -15.596 10.532 4.870 835 1HB LYS 107 2HB LYS 107 -13.722 9.034 4.323 836 2HB LYS 107 1HB LYS 107 -13.488 8.680 6.017 837 1HG LYS 107 2HG LYS 107 -15.675 7.530 6.042 838 2HG LYS 107 1HG LYS 107 -15.833 7.872 4.310 839 1HD LYS 107 2HD LYS 107 -13.790 6.619 3.854 840 2HD LYS 107 1HD LYS 107 -13.567 6.319 5.573 841 1HE LYS 107 2HE LYS 107 -15.659 5.043 5.610 842 2HE LYS 107 1HE LYS 107 -15.869 5.317 3.886 843 1HZ LYS 107 1HZ LYS 107 -13.614 3.851 5.153 844 2HZ LYS 107 2HZ LYS 107 -13.800 4.110 3.495 845 3HZ LYS 107 3HZ LYS 107 -14.896 3.158 4.312 846 H THR 108 H THR 108 -17.397 10.445 6.227 847 HA THR 108 HA THR 108 -16.997 10.855 9.013 848 HB THR 108 HB THR 108 -18.923 11.945 7.908 849 HG1 THR 108 1HG THR 108 -18.933 11.132 10.199 850 1HG2 THR 108 1HG2 THR 108 -20.051 9.147 7.632 851 2HG2 THR 108 2HG2 THR 108 -19.542 10.192 6.305 852 3HG2 THR 108 3HG2 THR 108 -20.927 10.638 7.295 853 H GLY 109 H GLY 109 -17.666 8.105 7.042 854 1HA GLY 109 2HA GLY 109 -18.145 6.409 9.354 855 2HA GLY 109 1HA GLY 109 -18.127 5.896 7.664 856 H GLU 110 H GLU 110 -16.065 7.064 10.235 857 HA GLU 110 HA GLU 110 -13.582 6.622 9.085 858 1HB GLU 110 2HB GLU 110 -14.328 6.363 11.993 859 2HB GLU 110 1HB GLU 110 -12.705 6.567 11.370 860 1HG GLU 110 2HG GLU 110 -13.357 8.755 10.452 861 2HG GLU 110 1HG GLU 110 -14.950 8.546 11.184 862 H SER 111 H SER 111 -12.383 4.885 8.657 863 HA SER 111 HA SER 111 -13.600 2.338 8.987 864 1HB SER 111 2HB SER 111 -11.028 3.124 7.629 865 2HB SER 111 1HB SER 111 -11.800 1.537 7.536 866 HG SER 111 HG SER 111 -13.073 2.244 6.144 867 H ASN 112 H ASN 112 -13.409 2.540 11.292 868 HA ASN 112 HA ASN 112 -11.433 0.694 12.237 869 1HB ASN 112 2HB ASN 112 -10.487 2.069 14.042 870 2HB ASN 112 1HB ASN 112 -10.135 2.807 12.490 871 1HD2 ASN 112 1HD2 ASN 112 -10.220 3.931 15.162 872 2HD2 ASN 112 2HD2 ASN 112 -11.316 5.257 15.108 873 H CYS 113 H CYS 113 -14.352 1.309 11.931 874 HA CYS 113 HA CYS 113 -15.105 0.312 14.494 875 1HB CYS 113 2HB CYS 113 -16.970 1.961 14.744 876 2HB CYS 113 1HB CYS 113 -15.372 2.667 14.935 877 HG CYS 113 HG CYS 113 -15.459 3.695 12.181 878 H CYS 114 H CYS 114 -15.757 -1.564 13.640 879 HA CYS 114 HA CYS 114 -17.328 -1.640 11.251 880 1HB CYS 114 2HB CYS 114 -16.675 -3.811 13.259 881 2HB CYS 114 1HB CYS 114 -17.377 -4.065 11.662 882 HG CYS 114 HG CYS 114 -14.934 -2.510 10.716 883 H VAL 115 H VAL 115 -19.437 -1.320 11.184 884 HA VAL 115 HA VAL 115 -20.804 -0.905 13.638 885 HB VAL 115 HB VAL 115 -21.286 0.627 11.811 886 1HG1 VAL 115 1HG1 VAL 115 -20.981 -0.780 9.892 887 2HG1 VAL 115 2HG1 VAL 115 -22.577 -0.032 9.831 888 3HG1 VAL 115 3HG1 VAL 115 -22.410 -1.722 10.312 889 1HG2 VAL 115 1HG2 VAL 115 -23.750 0.604 11.862 890 2HG2 VAL 115 2HG2 VAL 115 -23.044 0.307 13.450 891 3HG2 VAL 115 3HG2 VAL 115 -23.706 -1.034 12.516 892 H ILE 116 H ILE 116 -21.265 -2.513 14.796 893 HA ILE 116 HA ILE 116 -23.051 -4.523 13.744 894 HB ILE 116 HB ILE 116 -20.826 -5.579 13.679 895 1HG1 ILE 116 2HG1 ILE 116 -21.244 -7.546 15.158 896 2HG1 ILE 116 1HG1 ILE 116 -22.540 -6.647 15.932 897 1HG2 ILE 116 1HG2 ILE 116 -20.602 -4.952 16.605 898 2HG2 ILE 116 2HG2 ILE 116 -19.639 -4.266 15.299 899 3HG2 ILE 116 3HG2 ILE 116 -19.497 -5.981 15.694 900 1HD1 ILE 116 1HD1 ILE 116 -23.748 -6.553 13.815 901 2HD1 ILE 116 2HD1 ILE 116 -23.386 -8.220 14.271 902 3HD1 ILE 116 3HD1 ILE 116 -22.435 -7.419 13.023 903 H LEU 117 H LEU 117 -24.723 -4.779 15.063 904 HA LEU 117 HA LEU 117 -24.502 -3.892 17.837 905 1HB LEU 117 2HB LEU 117 -25.576 -2.195 16.254 906 2HB LEU 117 1HB LEU 117 -26.831 -3.365 15.960 907 HG LEU 117 HG LEU 117 -27.567 -1.595 17.475 908 1HD1 LEU 117 1HD1 LEU 117 -28.612 -3.741 17.788 909 2HD1 LEU 117 2HD1 LEU 117 -28.438 -2.905 19.331 910 3HD1 LEU 117 3HD1 LEU 117 -27.340 -4.219 18.908 911 1HD2 LEU 117 1HD2 LEU 117 -25.385 -2.540 19.319 912 2HD2 LEU 117 2HD2 LEU 117 -26.619 -1.340 19.710 913 3HD2 LEU 117 3HD2 LEU 117 -25.430 -1.009 18.448 Start of MODEL 19 1 H SER 2 H SER 2 -8.984 -7.259 16.321 2 HA SER 2 HA SER 2 -7.673 -8.275 13.935 3 1HB SER 2 2HB SER 2 -6.459 -9.767 15.545 4 2HB SER 2 1HB SER 2 -6.050 -8.053 15.662 5 HG SER 2 HG SER 2 -7.351 -9.712 17.466 6 H SER 3 H SER 3 -8.930 -9.648 12.922 7 HA SER 3 HA SER 3 -10.221 -11.768 14.373 8 1HB SER 3 2HB SER 3 -12.425 -11.274 13.246 9 2HB SER 3 1HB SER 3 -11.957 -10.113 14.488 10 HG SER 3 HG SER 3 -11.550 -8.622 13.003 11 H ASN 4 H ASN 4 -11.540 -13.101 12.567 12 HA ASN 4 HA ASN 4 -9.595 -13.609 10.467 13 1HB ASN 4 2HB ASN 4 -10.601 -15.477 11.904 14 2HB ASN 4 1HB ASN 4 -12.145 -15.136 11.133 15 1HD2 ASN 4 1HD2 ASN 4 -8.977 -16.458 10.725 16 2HD2 ASN 4 2HD2 ASN 4 -9.257 -17.268 9.236 17 H VAL 5 H VAL 5 -11.091 -14.368 8.294 18 HA VAL 5 HA VAL 5 -12.073 -11.777 7.476 19 HB VAL 5 HB VAL 5 -12.170 -14.234 5.797 20 1HG1 VAL 5 1HG1 VAL 5 -13.210 -12.229 4.958 21 2HG1 VAL 5 2HG1 VAL 5 -11.825 -12.686 3.967 22 3HG1 VAL 5 3HG1 VAL 5 -11.688 -11.348 5.113 23 1HG2 VAL 5 1HG2 VAL 5 -9.931 -14.244 6.716 24 2HG2 VAL 5 2HG2 VAL 5 -9.677 -12.566 6.178 25 3HG2 VAL 5 3HG2 VAL 5 -9.949 -13.867 5.000 26 HA PRO 6 HA PRO 6 -16.270 -13.343 8.093 27 1HB PRO 6 2HB PRO 6 -17.520 -10.990 8.014 28 2HB PRO 6 1HB PRO 6 -16.541 -11.439 9.420 29 1HG PRO 6 2HG PRO 6 -15.887 -9.604 7.153 30 2HG PRO 6 1HG PRO 6 -15.513 -9.430 8.873 31 1HD PRO 6 2HD PRO 6 -13.744 -10.357 6.950 32 2HD PRO 6 1HD PRO 6 -13.602 -10.664 8.693 33 H ALA 7 H ALA 7 -18.281 -13.213 6.760 34 HA ALA 7 HA ALA 7 -17.737 -13.161 3.949 35 1HB ALA 7 1HB ALA 7 -20.240 -13.694 5.513 36 2HB ALA 7 2HB ALA 7 -19.095 -14.916 4.935 37 3HB ALA 7 3HB ALA 7 -20.040 -13.961 3.781 38 H ASP 8 H ASP 8 -17.644 -10.755 5.472 39 HA ASP 8 HA ASP 8 -19.617 -9.131 4.018 40 1HB ASP 8 2HB ASP 8 -20.012 -8.873 6.388 41 2HB ASP 8 1HB ASP 8 -18.299 -8.611 6.692 42 H MET 9 H MET 9 -16.300 -9.783 4.777 43 HA MET 9 HA MET 9 -15.511 -7.390 3.268 44 1HB MET 9 2HB MET 9 -13.941 -8.587 5.560 45 2HB MET 9 1HB MET 9 -13.563 -7.122 4.672 46 1HG MET 9 2HG MET 9 -15.675 -6.159 5.515 47 2HG MET 9 1HG MET 9 -15.873 -7.572 6.541 48 1HE MET 9 1HE MET 9 -14.070 -4.254 5.818 49 2HE MET 9 2HE MET 9 -12.721 -5.357 5.559 50 3HE MET 9 3HE MET 9 -12.707 -4.253 6.936 51 H ILE 10 H ILE 10 -13.558 -7.583 2.098 52 HA ILE 10 HA ILE 10 -12.991 -10.329 1.430 53 HB ILE 10 HB ILE 10 -11.993 -9.363 -0.700 54 1HG1 ILE 10 2HG1 ILE 10 -13.096 -7.104 -1.350 55 2HG1 ILE 10 1HG1 ILE 10 -13.206 -6.871 0.389 56 1HG2 ILE 10 1HG2 ILE 10 -14.885 -8.878 -0.235 57 2HG2 ILE 10 2HG2 ILE 10 -14.120 -10.402 -0.770 58 3HG2 ILE 10 3HG2 ILE 10 -14.076 -8.949 -1.795 59 1HD1 ILE 10 1HD1 ILE 10 -10.752 -7.051 0.526 60 2HD1 ILE 10 2HD1 ILE 10 -11.310 -5.767 -0.590 61 3HD1 ILE 10 3HD1 ILE 10 -10.755 -7.297 -1.236 62 H ASN 11 H ASN 11 -10.940 -11.139 1.538 63 HA ASN 11 HA ASN 11 -9.181 -9.549 3.215 64 1HB ASN 11 2HB ASN 11 -9.685 -11.891 3.849 65 2HB ASN 11 1HB ASN 11 -9.000 -12.443 2.359 66 1HD2 ASN 11 1HD2 ASN 11 -7.459 -9.811 4.144 67 2HD2 ASN 11 2HD2 ASN 11 -6.119 -10.752 4.652 68 H LEU 12 H LEU 12 -7.889 -8.272 2.155 69 HA LEU 12 HA LEU 12 -6.966 -9.116 -0.468 70 1HB LEU 12 2HB LEU 12 -8.415 -7.272 -0.618 71 2HB LEU 12 1HB LEU 12 -7.627 -6.455 0.707 72 HG LEU 12 HG LEU 12 -5.660 -6.088 -0.682 73 1HD1 LEU 12 1HD1 LEU 12 -5.740 -7.979 -2.093 74 2HD1 LEU 12 2HD1 LEU 12 -5.687 -6.506 -3.047 75 3HD1 LEU 12 3HD1 LEU 12 -7.216 -7.406 -2.893 76 1HD2 LEU 12 1HD2 LEU 12 -8.261 -5.184 -1.855 77 2HD2 LEU 12 2HD2 LEU 12 -6.688 -4.486 -2.233 78 3HD2 LEU 12 3HD2 LEU 12 -7.328 -4.389 -0.585 79 H ARG 13 H ARG 13 -4.911 -9.301 -0.771 80 HA ARG 13 HA ARG 13 -3.087 -8.204 1.222 81 1HB ARG 13 2HB ARG 13 -3.041 -10.673 0.748 82 2HB ARG 13 1HB ARG 13 -2.584 -10.280 -0.886 83 1HG ARG 13 2HG ARG 13 -0.518 -9.356 -0.201 84 2HG ARG 13 1HG ARG 13 -0.978 -9.448 1.503 85 1HD ARG 13 2HD ARG 13 -1.167 -11.816 1.335 86 2HD ARG 13 1HD ARG 13 -0.683 -11.778 -0.364 87 HE ARG 13 HE ARG 13 1.238 -10.540 1.323 88 1HH1 ARG 13 1HH1 ARG 13 0.046 -13.748 0.426 89 2HH1 ARG 13 2HH1 ARG 13 1.553 -14.507 0.628 90 1HH2 ARG 13 1HH2 ARG 13 3.292 -11.564 1.611 91 2HH2 ARG 13 2HH2 ARG 13 3.443 -13.248 1.341 92 H LEU 14 H LEU 14 -2.135 -6.522 0.670 93 HA LEU 14 HA LEU 14 -2.075 -5.537 -2.086 94 1HB LEU 14 2HB LEU 14 -1.534 -3.982 0.539 95 2HB LEU 14 1HB LEU 14 -1.482 -3.335 -1.080 96 HG LEU 14 HG LEU 14 -3.379 -2.653 0.087 97 1HD1 LEU 14 1HD1 LEU 14 -3.573 -2.824 -2.267 98 2HD1 LEU 14 2HD1 LEU 14 -5.118 -3.204 -1.506 99 3HD1 LEU 14 3HD1 LEU 14 -4.108 -4.501 -2.146 100 1HD2 LEU 14 1HD2 LEU 14 -5.249 -4.188 0.564 101 2HD2 LEU 14 2HD2 LEU 14 -3.849 -4.446 1.624 102 3HD2 LEU 14 3HD2 LEU 14 -4.157 -5.544 0.288 103 H ILE 15 H ILE 15 -0.210 -5.820 -3.197 104 HA ILE 15 HA ILE 15 2.232 -6.099 -1.613 105 HB ILE 15 HB ILE 15 1.887 -6.748 -4.558 106 1HG1 ILE 15 2HG1 ILE 15 1.767 -8.613 -2.140 107 2HG1 ILE 15 1HG1 ILE 15 0.500 -8.259 -3.279 108 1HG2 ILE 15 1HG2 ILE 15 4.157 -6.225 -3.981 109 2HG2 ILE 15 2HG2 ILE 15 4.046 -7.988 -4.174 110 3HG2 ILE 15 3HG2 ILE 15 4.056 -7.251 -2.563 111 1HD1 ILE 15 1HD1 ILE 15 1.695 -9.338 -5.073 112 2HD1 ILE 15 2HD1 ILE 15 1.509 -10.437 -3.704 113 3HD1 ILE 15 3HD1 ILE 15 3.060 -9.654 -4.001 114 H LEU 16 H LEU 16 3.454 -4.421 -1.486 115 HA LEU 16 HA LEU 16 2.942 -2.069 -3.061 116 1HB LEU 16 2HB LEU 16 5.112 -2.616 -1.040 117 2HB LEU 16 1HB LEU 16 4.735 -1.057 -1.736 118 HG LEU 16 HG LEU 16 2.916 -2.662 0.059 119 1HD1 LEU 16 1HD1 LEU 16 4.462 -0.131 0.577 120 2HD1 LEU 16 2HD1 LEU 16 4.830 -1.731 1.226 121 3HD1 LEU 16 3HD1 LEU 16 3.339 -0.917 1.691 122 1HD2 LEU 16 1HD2 LEU 16 1.636 -1.344 -1.544 123 2HD2 LEU 16 2HD2 LEU 16 2.578 0.090 -1.135 124 3HD2 LEU 16 3HD2 LEU 16 1.514 -0.635 0.068 125 H VAL 17 H VAL 17 4.725 -0.875 -4.113 126 HA VAL 17 HA VAL 17 5.761 -2.317 -6.247 127 HB VAL 17 HB VAL 17 7.032 -0.278 -6.847 128 1HG1 VAL 17 1HG1 VAL 17 5.103 1.220 -7.066 129 2HG1 VAL 17 2HG1 VAL 17 4.224 0.236 -5.895 130 3HG1 VAL 17 3HG1 VAL 17 4.695 -0.451 -7.450 131 1HG2 VAL 17 1HG2 VAL 17 6.865 1.731 -5.439 132 2HG2 VAL 17 2HG2 VAL 17 7.712 0.430 -4.600 133 3HG2 VAL 17 3HG2 VAL 17 6.033 0.786 -4.206 134 H SER 18 H SER 18 7.207 -1.707 -3.166 135 HA SER 18 HA SER 18 9.885 -2.312 -3.995 136 1HB SER 18 2HB SER 18 9.407 -0.882 -2.015 137 2HB SER 18 1HB SER 18 8.689 -2.296 -1.233 138 HG SER 18 HG SER 18 11.362 -1.721 -1.795 139 H GLY 19 H GLY 19 7.138 -4.243 -3.358 140 1HA GLY 19 2HA GLY 19 7.170 -6.586 -3.669 141 2HA GLY 19 1HA GLY 19 8.862 -6.606 -3.184 142 H LYS 20 H LYS 20 7.191 -4.616 -1.118 143 HA LYS 20 HA LYS 20 7.194 -6.659 0.930 144 1HB LYS 20 2HB LYS 20 6.819 -3.673 1.007 145 2HB LYS 20 1HB LYS 20 6.272 -4.632 2.354 146 1HG LYS 20 2HG LYS 20 8.396 -3.675 2.920 147 2HG LYS 20 1HG LYS 20 8.630 -5.392 2.704 148 1HD LYS 20 2HD LYS 20 9.306 -3.345 0.575 149 2HD LYS 20 1HD LYS 20 10.441 -3.826 1.824 150 1HE LYS 20 2HE LYS 20 10.274 -6.151 1.011 151 2HE LYS 20 1HE LYS 20 9.200 -5.600 -0.273 152 1HZ LYS 20 1HZ LYS 20 11.032 -4.140 -1.066 153 2HZ LYS 20 2HZ LYS 20 11.452 -5.770 -1.105 154 3HZ LYS 20 3HZ LYS 20 12.039 -4.804 0.114 155 H THR 21 H THR 21 5.351 -7.627 1.726 156 HA THR 21 HA THR 21 2.927 -6.831 0.332 157 HB THR 21 HB THR 21 2.136 -9.102 0.633 158 HG1 THR 21 1HG THR 21 3.782 -9.296 2.614 159 1HG2 THR 21 1HG2 THR 21 3.498 -8.636 -1.343 160 2HG2 THR 21 2HG2 THR 21 3.723 -10.294 -0.795 161 3HG2 THR 21 3HG2 THR 21 4.952 -9.079 -0.454 162 H LYS 22 H LYS 22 1.218 -6.226 1.405 163 HA LYS 22 HA LYS 22 1.095 -6.632 4.340 164 1HB LYS 22 2HB LYS 22 0.235 -4.227 2.708 165 2HB LYS 22 1HB LYS 22 -0.409 -4.529 4.302 166 1HG LYS 22 2HG LYS 22 1.330 -2.852 4.402 167 2HG LYS 22 1HG LYS 22 1.859 -4.298 5.245 168 1HD LYS 22 2HD LYS 22 3.234 -4.908 3.300 169 2HD LYS 22 1HD LYS 22 2.665 -3.470 2.452 170 1HE LYS 22 2HE LYS 22 4.887 -3.119 3.450 171 2HE LYS 22 1HE LYS 22 3.679 -2.036 4.139 172 1HZ LYS 22 1HZ LYS 22 4.687 -4.540 5.409 173 2HZ LYS 22 2HZ LYS 22 3.533 -3.489 6.062 174 3HZ LYS 22 3HZ LYS 22 5.100 -2.962 5.839 175 H GLU 23 H GLU 23 -0.888 -7.443 5.114 176 HA GLU 23 HA GLU 23 -2.999 -7.708 3.074 177 1HB GLU 23 2HB GLU 23 -1.624 -9.814 3.498 178 2HB GLU 23 1HB GLU 23 -2.295 -9.798 5.118 179 1HG GLU 23 2HG GLU 23 -4.578 -9.830 3.982 180 2HG GLU 23 1HG GLU 23 -3.698 -10.137 2.524 181 H PHE 24 H PHE 24 -4.939 -7.060 3.788 182 HA PHE 24 HA PHE 24 -5.564 -7.038 6.615 183 1HB PHE 24 2HB PHE 24 -5.564 -4.516 4.951 184 2HB PHE 24 1HB PHE 24 -6.380 -4.645 6.490 185 HD1 PHE 24 1HD PHE 24 -5.004 -4.936 8.565 186 HD2 PHE 24 2HD PHE 24 -3.241 -4.135 4.777 187 HE1 PHE 24 1HE PHE 24 -2.925 -4.234 9.682 188 HE2 PHE 24 2HE PHE 24 -1.161 -3.435 5.892 189 HZ PHE 24 HZ PHE 24 -1.006 -3.486 8.347 190 H LEU 25 H LEU 25 -7.859 -6.642 7.010 191 HA LEU 25 HA LEU 25 -9.524 -7.603 4.870 192 1HB LEU 25 2HB LEU 25 -10.173 -6.517 7.579 193 2HB LEU 25 1HB LEU 25 -11.383 -7.101 6.466 194 HG LEU 25 HG LEU 25 -9.234 -8.730 7.811 195 1HD1 LEU 25 1HD1 LEU 25 -11.065 -8.033 9.285 196 2HD1 LEU 25 2HD1 LEU 25 -11.198 -9.761 8.924 197 3HD1 LEU 25 3HD1 LEU 25 -12.232 -8.591 8.094 198 1HD2 LEU 25 1HD2 LEU 25 -11.434 -9.495 5.926 199 2HD2 LEU 25 2HD2 LEU 25 -10.384 -10.626 6.792 200 3HD2 LEU 25 3HD2 LEU 25 -9.708 -9.553 5.560 201 H PHE 26 H PHE 26 -10.472 -6.369 3.416 202 HA PHE 26 HA PHE 26 -11.116 -3.633 4.139 203 1HB PHE 26 2HB PHE 26 -9.847 -4.536 1.538 204 2HB PHE 26 1HB PHE 26 -10.603 -2.964 1.752 205 HD1 PHE 26 1HD PHE 26 -9.616 -1.366 3.421 206 HD2 PHE 26 2HD PHE 26 -7.572 -4.922 2.238 207 HE1 PHE 26 1HE PHE 26 -7.484 -0.433 4.233 208 HE2 PHE 26 2HE PHE 26 -5.492 -3.997 3.037 209 HZ PHE 26 HZ PHE 26 -5.406 -1.763 4.028 210 H SER 27 H SER 27 -12.814 -2.793 2.479 211 HA SER 27 HA SER 27 -14.680 -5.000 2.314 212 1HB SER 27 2HB SER 27 -16.425 -3.321 2.136 213 2HB SER 27 1HB SER 27 -15.371 -2.913 3.468 214 HG SER 27 HG SER 27 -14.255 -1.488 1.935 215 HA PRO 28 HA PRO 28 -14.284 -5.346 -2.046 216 1HB PRO 28 2HB PRO 28 -16.914 -5.710 -2.792 217 2HB PRO 28 1HB PRO 28 -15.885 -6.943 -2.029 218 1HG PRO 28 2HG PRO 28 -17.830 -5.091 -0.697 219 2HG PRO 28 1HG PRO 28 -17.697 -6.853 -0.538 220 1HD PRO 28 2HD PRO 28 -16.590 -5.319 1.300 221 2HD PRO 28 1HD PRO 28 -15.674 -6.701 0.647 222 H ASN 29 H ASN 29 -15.988 -2.799 -0.563 223 HA ASN 29 HA ASN 29 -16.480 -1.401 -3.074 224 1HB ASN 29 2HB ASN 29 -17.332 -0.734 -0.260 225 2HB ASN 29 1HB ASN 29 -17.659 0.300 -1.649 226 1HD2 ASN 29 1HD2 ASN 29 -19.528 -1.010 0.173 227 2HD2 ASN 29 2HD2 ASN 29 -20.501 -2.017 -0.834 228 H ASP 30 H ASP 30 -13.968 -1.661 -0.889 229 HA ASP 30 HA ASP 30 -13.159 1.108 -0.968 230 1HB ASP 30 2HB ASP 30 -11.641 -1.379 -0.158 231 2HB ASP 30 1HB ASP 30 -10.890 0.215 -0.177 232 H SER 31 H SER 31 -11.257 1.946 -2.086 233 HA SER 31 HA SER 31 -11.092 0.796 -4.743 234 1HB SER 31 2HB SER 31 -11.486 3.224 -4.561 235 2HB SER 31 1HB SER 31 -10.003 3.401 -3.626 236 HG SER 31 HG SER 31 -10.075 3.782 -6.053 237 H ALA 32 H ALA 32 -9.524 -0.520 -5.236 238 HA ALA 32 HA ALA 32 -7.573 -1.586 -3.566 239 1HB ALA 32 1HB ALA 32 -8.385 -2.590 -5.642 240 2HB ALA 32 2HB ALA 32 -6.609 -2.482 -5.643 241 3HB ALA 32 3HB ALA 32 -7.593 -1.293 -6.517 242 H SER 33 H SER 33 -7.162 1.107 -5.880 243 HA SER 33 HA SER 33 -4.340 1.183 -5.387 244 1HB SER 33 2HB SER 33 -5.334 1.822 -7.582 245 2HB SER 33 1HB SER 33 -6.063 3.226 -6.799 246 HG SER 33 HG SER 33 -3.279 2.665 -6.969 247 H ASP 34 H ASP 34 -7.171 2.862 -4.220 248 HA ASP 34 HA ASP 34 -5.857 4.927 -2.770 249 1HB ASP 34 2HB ASP 34 -8.343 4.892 -3.307 250 2HB ASP 34 1HB ASP 34 -8.486 3.548 -2.202 251 H ILE 35 H ILE 35 -6.856 1.653 -2.120 252 HA ILE 35 HA ILE 35 -6.112 1.472 0.578 253 HB ILE 35 HB ILE 35 -6.177 -0.733 -1.495 254 1HG1 ILE 35 2HG1 ILE 35 -8.243 0.061 0.557 255 2HG1 ILE 35 1HG1 ILE 35 -8.361 0.379 -1.175 256 1HG2 ILE 35 1HG2 ILE 35 -4.833 -1.313 0.425 257 2HG2 ILE 35 2HG2 ILE 35 -6.346 -2.232 0.427 258 3HG2 ILE 35 3HG2 ILE 35 -6.146 -0.842 1.498 259 1HD1 ILE 35 1HD1 ILE 35 -8.264 -2.309 0.154 260 2HD1 ILE 35 2HD1 ILE 35 -8.321 -2.034 -1.581 261 3HD1 ILE 35 3HD1 ILE 35 -9.686 -1.554 -0.569 262 H ALA 36 H ALA 36 -4.282 0.854 -2.409 263 HA ALA 36 HA ALA 36 -1.938 -0.143 -1.388 264 1HB ALA 36 1HB ALA 36 -2.184 1.853 -3.632 265 2HB ALA 36 2HB ALA 36 -2.441 0.120 -3.773 266 3HB ALA 36 3HB ALA 36 -0.839 0.739 -3.363 267 H LYS 37 H LYS 37 -2.987 3.206 -1.519 268 HA LYS 37 HA LYS 37 -0.545 4.306 -0.507 269 1HB LYS 37 2HB LYS 37 -2.629 5.404 -1.786 270 2HB LYS 37 1HB LYS 37 -3.247 5.582 -0.173 271 1HG LYS 37 2HG LYS 37 -0.740 6.850 -1.289 272 2HG LYS 37 1HG LYS 37 -2.265 7.659 -1.020 273 1HD LYS 37 2HD LYS 37 -1.105 8.354 0.850 274 2HD LYS 37 1HD LYS 37 -1.799 6.875 1.477 275 1HE LYS 37 2HE LYS 37 0.261 5.658 0.968 276 2HE LYS 37 1HE LYS 37 0.971 7.134 0.310 277 1HZ LYS 37 1HZ LYS 37 1.711 6.819 2.587 278 2HZ LYS 37 2HZ LYS 37 0.099 6.713 3.110 279 3HZ LYS 37 3HZ LYS 37 0.676 8.146 2.521 280 H HIS 38 H HIS 38 -3.642 3.283 0.823 281 HA HIS 38 HA HIS 38 -3.462 4.001 3.535 282 1HB HIS 38 2HB HIS 38 -5.504 3.143 2.396 283 2HB HIS 38 1HB HIS 38 -4.774 1.555 2.331 284 HD1 HIS 38 1HD HIS 38 -4.265 0.507 4.943 285 HD2 HIS 38 2HD HIS 38 -7.115 3.510 4.497 286 HE1 HIS 38 1HE HIS 38 -5.715 0.350 6.944 287 HE2 HIS 38 2HE HIS 38 -7.610 1.900 6.438 288 H VAL 39 H VAL 39 -2.676 0.885 2.005 289 HA VAL 39 HA VAL 39 -1.661 -0.339 4.337 290 HB VAL 39 HB VAL 39 -0.815 -2.116 2.847 291 1HG1 VAL 39 1HG1 VAL 39 -3.678 -1.212 2.449 292 2HG1 VAL 39 2HG1 VAL 39 -3.072 -2.167 3.796 293 3HG1 VAL 39 3HG1 VAL 39 -3.069 -2.838 2.175 294 1HG2 VAL 39 1HG2 VAL 39 -2.109 -0.432 0.756 295 2HG2 VAL 39 2HG2 VAL 39 -1.402 -2.031 0.497 296 3HG2 VAL 39 3HG2 VAL 39 -0.368 -0.648 0.910 297 H TYR 40 H TYR 40 -0.150 1.513 1.846 298 HA TYR 40 HA TYR 40 2.522 0.922 2.193 299 1HB TYR 40 2HB TYR 40 1.721 2.550 0.524 300 2HB TYR 40 1HB TYR 40 1.330 3.685 1.808 301 HD1 TYR 40 1HD TYR 40 3.050 5.027 2.839 302 HD2 TYR 40 2HD TYR 40 4.073 2.066 -0.041 303 HE1 TYR 40 1HE TYR 40 5.313 5.961 2.694 304 HE2 TYR 40 2HE TYR 40 6.342 2.998 -0.194 305 HH TYR 40 HH TYR 40 7.465 5.120 0.229 306 H ASP 41 H ASP 41 0.542 3.104 4.175 307 HA ASP 41 HA ASP 41 1.589 2.384 6.602 308 1HB ASP 41 2HB ASP 41 3.723 3.440 5.990 309 2HB ASP 41 1HB ASP 41 2.898 4.960 5.647 310 H ASN 42 H ASN 42 1.097 5.707 5.535 311 HA ASN 42 HA ASN 42 -1.209 5.809 7.327 312 1HB ASN 42 2HB ASN 42 0.631 7.432 7.739 313 2HB ASN 42 1HB ASN 42 0.416 8.057 6.115 314 1HD2 ASN 42 1HD2 ASN 42 0.135 10.085 7.065 315 2HD2 ASN 42 2HD2 ASN 42 -1.350 10.583 7.760 316 H TRP 43 H TRP 43 -3.173 6.620 6.633 317 HA TRP 43 HA TRP 43 -3.692 5.891 3.924 318 1HB TRP 43 2HB TRP 43 -6.084 6.111 4.536 319 2HB TRP 43 1HB TRP 43 -5.206 5.075 5.643 320 HD1 TRP 43 HD TRP 43 -7.281 8.159 5.478 321 HE1 TRP 43 1HE TRP 43 -7.606 9.139 7.810 322 HE3 TRP 43 3HE TRP 43 -3.903 5.312 8.020 323 HZ2 TRP 43 2HZ TRP 43 -6.577 8.767 10.409 324 HZ3 TRP 43 3HZ TRP 43 -3.641 5.691 10.444 325 HH2 TRP 43 HH TRP 43 -4.945 7.378 11.604 326 HA PRO 44 HA PRO 44 -3.438 9.653 1.868 327 1HB PRO 44 2HB PRO 44 -5.372 9.319 -0.054 328 2HB PRO 44 1HB PRO 44 -3.778 8.564 -0.094 329 1HG PRO 44 2HG PRO 44 -6.388 7.411 0.802 330 2HG PRO 44 1HG PRO 44 -5.107 6.662 -0.168 331 1HD PRO 44 2HD PRO 44 -5.429 6.142 2.441 332 2HD PRO 44 1HD PRO 44 -3.823 6.196 1.696 333 H MET 45 H MET 45 -6.876 8.822 2.454 334 HA MET 45 HA MET 45 -8.711 10.018 2.899 335 1HB MET 45 2HB MET 45 -6.755 12.137 3.804 336 2HB MET 45 1HB MET 45 -8.492 12.362 3.903 337 1HG MET 45 2HG MET 45 -6.890 10.230 5.293 338 2HG MET 45 1HG MET 45 -7.529 11.689 6.032 339 1HE MET 45 1HE MET 45 -11.421 11.071 5.788 340 2HE MET 45 2HE MET 45 -10.429 11.895 4.589 341 3HE MET 45 3HE MET 45 -10.159 12.184 6.308 342 H ASP 46 H ASP 46 -6.570 12.512 1.624 343 HA ASP 46 HA ASP 46 -8.104 12.843 -0.794 344 1HB ASP 46 2HB ASP 46 -9.415 14.066 1.032 345 2HB ASP 46 1HB ASP 46 -7.995 15.072 1.280 346 H TRP 47 H TRP 47 -6.945 15.471 -1.379 347 HA TRP 47 HA TRP 47 -4.232 14.532 -1.450 348 1HB TRP 47 2HB TRP 47 -3.702 16.329 -3.048 349 2HB TRP 47 1HB TRP 47 -5.090 15.406 -3.582 350 HD1 TRP 47 HD TRP 47 -7.541 16.741 -3.189 351 HE1 TRP 47 1HE TRP 47 -8.031 19.254 -3.486 352 HE3 TRP 47 3HE TRP 47 -2.777 18.558 -2.891 353 HZ2 TRP 47 2HZ TRP 47 -6.600 21.669 -3.597 354 HZ3 TRP 47 3HZ TRP 47 -2.420 20.981 -3.114 355 HH2 TRP 47 HH TRP 47 -4.290 22.505 -3.457 356 H GLU 48 H GLU 48 -3.645 14.583 0.523 357 HA GLU 48 HA GLU 48 -2.811 17.139 1.631 358 1HB GLU 48 2HB GLU 48 -5.167 16.732 2.410 359 2HB GLU 48 1HB GLU 48 -4.645 15.229 3.127 360 1HG GLU 48 2HG GLU 48 -3.625 17.938 3.979 361 2HG GLU 48 1HG GLU 48 -5.027 17.164 4.698 362 H GLU 49 H GLU 49 -3.141 13.651 2.368 363 HA GLU 49 HA GLU 49 -0.705 13.564 3.858 364 1HB GLU 49 2HB GLU 49 -2.802 12.032 4.019 365 2HB GLU 49 1HB GLU 49 -2.125 11.192 2.642 366 1HG GLU 49 2HG GLU 49 -0.877 11.458 5.373 367 2HG GLU 49 1HG GLU 49 -1.651 10.031 4.710 368 H GLU 50 H GLU 50 -1.529 11.664 0.931 369 HA GLU 50 HA GLU 50 0.939 12.513 -0.317 370 1HB GLU 50 2HB GLU 50 1.566 10.449 0.850 371 2HB GLU 50 1HB GLU 50 0.207 9.608 0.128 372 1HG GLU 50 2HG GLU 50 2.330 9.024 -0.940 373 2HG GLU 50 1HG GLU 50 1.216 9.793 -2.069 374 H GLN 51 H GLN 51 -0.211 13.654 -1.686 375 HA GLN 51 HA GLN 51 -0.790 12.816 -4.174 376 1HB GLN 51 2HB GLN 51 -2.719 11.507 -3.318 377 2HB GLN 51 1HB GLN 51 -3.367 12.941 -2.547 378 1HG GLN 51 2HG GLN 51 -4.556 12.338 -4.624 379 2HG GLN 51 1HG GLN 51 -3.833 13.942 -4.691 380 1HE2 GLN 51 1HE2 GLN 51 -3.654 10.669 -5.883 381 2HE2 GLN 51 2HE2 GLN 51 -2.631 11.042 -7.230 382 H VAL 52 H VAL 52 -1.187 14.599 -5.420 383 HA VAL 52 HA VAL 52 -2.217 16.952 -4.229 384 HB VAL 52 HB VAL 52 0.056 17.311 -3.519 385 1HG1 VAL 52 1HG1 VAL 52 1.945 17.444 -5.015 386 2HG1 VAL 52 2HG1 VAL 52 0.922 16.937 -6.368 387 3HG1 VAL 52 3HG1 VAL 52 1.227 15.835 -5.025 388 1HG2 VAL 52 1HG2 VAL 52 0.623 19.425 -4.633 389 2HG2 VAL 52 2HG2 VAL 52 -1.098 19.305 -4.268 390 3HG2 VAL 52 3HG2 VAL 52 -0.528 19.046 -5.914 391 H SER 53 H SER 53 -0.488 15.981 -7.268 392 HA SER 53 HA SER 53 -2.942 16.539 -8.600 393 1HB SER 53 2HB SER 53 -1.990 18.814 -8.495 394 2HB SER 53 1HB SER 53 -0.523 18.236 -9.284 395 HG SER 53 HG SER 53 -2.064 17.518 -10.981 396 H SER 54 H SER 54 -2.630 14.246 -8.878 397 HA SER 54 HA SER 54 -2.014 13.698 -11.520 398 1HB SER 54 2HB SER 54 0.338 13.773 -10.827 399 2HB SER 54 1HB SER 54 0.038 12.533 -9.602 400 HG SER 54 HG SER 54 0.318 12.325 -12.350 401 HA PRO 55 HA PRO 55 -4.681 10.502 -9.796 402 1HB PRO 55 2HB PRO 55 -6.176 10.174 -11.946 403 2HB PRO 55 1HB PRO 55 -6.495 11.506 -10.821 404 1HG PRO 55 2HG PRO 55 -5.180 11.558 -13.512 405 2HG PRO 55 1HG PRO 55 -6.194 12.794 -12.749 406 1HD PRO 55 2HD PRO 55 -3.428 12.864 -12.879 407 2HD PRO 55 1HD PRO 55 -4.407 13.763 -11.702 408 H ASN 56 H ASN 56 -2.644 10.721 -12.486 409 HA ASN 56 HA ASN 56 -2.962 8.205 -13.743 410 1HB ASN 56 2HB ASN 56 -0.566 10.053 -13.699 411 2HB ASN 56 1HB ASN 56 -0.761 8.667 -14.762 412 1HD2 ASN 56 1HD2 ASN 56 -2.141 8.816 -16.510 413 2HD2 ASN 56 2HD2 ASN 56 -2.816 10.289 -17.045 414 H ILE 57 H ILE 57 -1.481 9.091 -10.803 415 HA ILE 57 HA ILE 57 0.383 6.937 -10.822 416 HB ILE 57 HB ILE 57 1.022 7.633 -8.583 417 1HG1 ILE 57 2HG1 ILE 57 -0.063 9.911 -7.756 418 2HG1 ILE 57 1HG1 ILE 57 -1.432 9.364 -8.714 419 1HG2 ILE 57 1HG2 ILE 57 2.006 8.800 -10.465 420 2HG2 ILE 57 2HG2 ILE 57 1.834 9.888 -9.094 421 3HG2 ILE 57 3HG2 ILE 57 0.696 9.980 -10.440 422 1HD1 ILE 57 1HD1 ILE 57 -1.584 7.337 -7.366 423 2HD1 ILE 57 2HD1 ILE 57 -1.692 8.775 -6.354 424 3HD1 ILE 57 3HD1 ILE 57 -0.195 7.843 -6.407 425 H LEU 58 H LEU 58 -2.913 7.139 -10.191 426 HA LEU 58 HA LEU 58 -2.897 4.986 -8.256 427 1HB LEU 58 2HB LEU 58 -5.239 6.389 -9.574 428 2HB LEU 58 1HB LEU 58 -5.399 5.085 -8.431 429 HG LEU 58 HG LEU 58 -4.246 6.627 -6.745 430 1HD1 LEU 58 1HD1 LEU 58 -4.418 9.014 -7.142 431 2HD1 LEU 58 2HD1 LEU 58 -4.976 8.697 -8.784 432 3HD1 LEU 58 3HD1 LEU 58 -3.339 8.244 -8.310 433 1HD2 LEU 58 1HD2 LEU 58 -6.334 7.787 -6.224 434 2HD2 LEU 58 2HD2 LEU 58 -6.609 6.101 -6.649 435 3HD2 LEU 58 3HD2 LEU 58 -6.958 7.376 -7.822 436 H ARG 59 H ARG 59 -2.252 3.141 -9.177 437 HA ARG 59 HA ARG 59 -3.968 2.081 -11.288 438 1HB ARG 59 2HB ARG 59 -0.936 1.887 -11.306 439 2HB ARG 59 1HB ARG 59 -2.005 1.002 -12.376 440 1HG ARG 59 2HG ARG 59 -1.672 3.998 -12.293 441 2HG ARG 59 1HG ARG 59 -1.004 2.896 -13.502 442 1HD ARG 59 2HD ARG 59 -3.264 2.237 -14.149 443 2HD ARG 59 1HD ARG 59 -3.937 3.313 -12.937 444 HE ARG 59 HE ARG 59 -2.426 4.170 -15.296 445 1HH1 ARG 59 1HH1 ARG 59 -4.743 4.895 -12.730 446 2HH1 ARG 59 2HH1 ARG 59 -5.491 6.192 -13.533 447 1HH2 ARG 59 1HH2 ARG 59 -3.450 6.030 -16.424 448 2HH2 ARG 59 2HH2 ARG 59 -4.724 6.849 -15.668 449 H LEU 60 H LEU 60 -4.232 -0.190 -11.210 450 HA LEU 60 HA LEU 60 -3.028 -1.463 -8.893 451 1HB LEU 60 2HB LEU 60 -5.168 -2.532 -8.315 452 2HB LEU 60 1HB LEU 60 -5.242 -0.797 -8.173 453 HG LEU 60 HG LEU 60 -6.343 -0.898 -10.518 454 1HD1 LEU 60 1HD1 LEU 60 -7.680 -2.887 -10.926 455 2HD1 LEU 60 2HD1 LEU 60 -6.830 -3.723 -9.627 456 3HD1 LEU 60 3HD1 LEU 60 -5.950 -3.193 -11.065 457 1HD2 LEU 60 1HD2 LEU 60 -8.511 -1.042 -9.541 458 2HD2 LEU 60 2HD2 LEU 60 -7.441 -0.251 -8.376 459 3HD2 LEU 60 3HD2 LEU 60 -7.870 -1.970 -8.208 460 H ILE 61 H ILE 61 -2.475 -3.584 -9.138 461 HA ILE 61 HA ILE 61 -2.814 -4.621 -11.843 462 HB ILE 61 HB ILE 61 -0.650 -5.094 -9.805 463 1HG1 ILE 61 2HG1 ILE 61 -0.542 -3.734 -12.484 464 2HG1 ILE 61 1HG1 ILE 61 -0.563 -2.908 -10.936 465 1HG2 ILE 61 1HG2 ILE 61 -0.973 -6.202 -12.600 466 2HG2 ILE 61 2HG2 ILE 61 -1.044 -7.124 -11.096 467 3HG2 ILE 61 3HG2 ILE 61 0.471 -6.372 -11.608 468 1HD1 ILE 61 1HD1 ILE 61 1.590 -3.977 -10.376 469 2HD1 ILE 61 2HD1 ILE 61 1.685 -3.005 -11.845 470 3HD1 ILE 61 3HD1 ILE 61 1.587 -4.760 -11.959 471 H TYR 62 H TYR 62 -4.116 -6.312 -11.927 472 HA TYR 62 HA TYR 62 -4.569 -7.803 -9.453 473 1HB TYR 62 2HB TYR 62 -6.579 -6.786 -10.569 474 2HB TYR 62 1HB TYR 62 -6.248 -7.787 -11.968 475 HD1 TYR 62 1HD TYR 62 -7.738 -9.563 -12.188 476 HD2 TYR 62 2HD TYR 62 -6.570 -8.338 -8.300 477 HE1 TYR 62 1HE TYR 62 -9.207 -11.288 -11.208 478 HE2 TYR 62 2HE TYR 62 -7.992 -10.061 -7.305 479 HH TYR 62 HH TYR 62 -10.082 -11.248 -8.021 480 H GLN 63 H GLN 63 -2.548 -8.644 -9.794 481 HA GLN 63 HA GLN 63 -1.049 -10.187 -10.281 482 1HB GLN 63 2HB GLN 63 -3.451 -11.843 -11.069 483 2HB GLN 63 1HB GLN 63 -1.834 -12.450 -10.715 484 1HG GLN 63 2HG GLN 63 -1.988 -11.672 -8.435 485 2HG GLN 63 1HG GLN 63 -3.561 -10.955 -8.760 486 1HE2 GLN 63 1HE2 GLN 63 -5.334 -12.308 -9.006 487 2HE2 GLN 63 2HE2 GLN 63 -5.324 -13.940 -8.450 488 H GLY 64 H GLY 64 -0.020 -9.032 -11.870 489 1HA GLY 64 2HA GLY 64 1.139 -9.482 -13.886 490 2HA GLY 64 1HA GLY 64 -0.317 -10.228 -14.517 491 H ARG 65 H ARG 65 -2.232 -8.373 -14.260 492 HA ARG 65 HA ARG 65 -1.199 -6.193 -15.983 493 1HB ARG 65 2HB ARG 65 -3.403 -6.291 -17.150 494 2HB ARG 65 1HB ARG 65 -2.415 -7.731 -17.339 495 1HG ARG 65 2HG ARG 65 -3.728 -8.860 -15.617 496 2HG ARG 65 1HG ARG 65 -4.711 -7.413 -15.422 497 1HD ARG 65 2HD ARG 65 -5.519 -7.625 -17.694 498 2HD ARG 65 1HD ARG 65 -4.461 -9.016 -17.966 499 HE ARG 65 HE ARG 65 -5.882 -9.736 -15.808 500 1HH1 ARG 65 1HH1 ARG 65 -6.885 -8.622 -19.014 501 2HH1 ARG 65 2HH1 ARG 65 -8.345 -9.486 -19.007 502 1HH2 ARG 65 1HH2 ARG 65 -7.869 -10.937 -15.807 503 2HH2 ARG 65 2HH2 ARG 65 -8.933 -10.823 -17.123 504 H PHE 66 H PHE 66 -2.255 -4.184 -15.988 505 HA PHE 66 HA PHE 66 -3.426 -3.320 -13.467 506 1HB PHE 66 2HB PHE 66 -2.994 -1.817 -16.053 507 2HB PHE 66 1HB PHE 66 -3.474 -1.083 -14.539 508 HD1 PHE 66 1HD PHE 66 -1.778 -1.025 -12.672 509 HD2 PHE 66 2HD PHE 66 -0.774 -2.160 -16.637 510 HE1 PHE 66 1HE PHE 66 0.583 -0.551 -12.211 511 HE2 PHE 66 2HE PHE 66 1.591 -1.698 -16.177 512 HZ PHE 66 HZ PHE 66 2.276 -0.889 -13.964 513 H LEU 67 H LEU 67 -5.586 -3.555 -13.179 514 HA LEU 67 HA LEU 67 -7.292 -3.942 -15.510 515 1HB LEU 67 2HB LEU 67 -8.111 -3.824 -12.625 516 2HB LEU 67 1HB LEU 67 -9.166 -4.213 -13.958 517 HG LEU 67 HG LEU 67 -6.833 -5.846 -12.989 518 1HD1 LEU 67 1HD1 LEU 67 -8.767 -5.894 -11.570 519 2HD1 LEU 67 2HD1 LEU 67 -8.578 -7.446 -12.354 520 3HD1 LEU 67 3HD1 LEU 67 -9.812 -6.313 -12.907 521 1HD2 LEU 67 1HD2 LEU 67 -8.756 -6.381 -15.256 522 2HD2 LEU 67 2HD2 LEU 67 -7.570 -7.518 -14.623 523 3HD2 LEU 67 3HD2 LEU 67 -7.028 -6.041 -15.420 524 H HIS 68 H HIS 68 -7.109 -1.446 -12.972 525 HA HIS 68 HA HIS 68 -7.926 0.590 -14.752 526 1HB HIS 68 2HB HIS 68 -10.105 -0.761 -14.193 527 2HB HIS 68 1HB HIS 68 -9.931 -0.093 -12.580 528 HD1 HIS 68 1HD HIS 68 -11.856 1.609 -12.437 529 HD2 HIS 68 2HD HIS 68 -9.762 1.771 -16.020 530 HE1 HIS 68 1HE HIS 68 -12.845 3.503 -13.695 531 HE2 HIS 68 2HE HIS 68 -11.390 3.768 -15.706 532 H GLY 69 H GLY 69 -8.126 2.698 -13.288 533 1HA GLY 69 2HA GLY 69 -6.029 2.472 -11.326 534 2HA GLY 69 1HA GLY 69 -6.754 3.941 -11.936 535 H ASN 70 H ASN 70 -9.219 1.920 -10.871 536 HA ASN 70 HA ASN 70 -9.241 2.704 -8.127 537 1HB ASN 70 2HB ASN 70 -9.494 4.955 -9.101 538 2HB ASN 70 1HB ASN 70 -10.825 4.405 -10.092 539 1HD2 ASN 70 1HD2 ASN 70 -12.852 4.424 -9.249 540 2HD2 ASN 70 2HD2 ASN 70 -13.266 5.005 -7.693 541 H VAL 71 H VAL 71 -9.876 0.448 -9.970 542 HA VAL 71 HA VAL 71 -12.721 0.203 -9.669 543 HB VAL 71 HB VAL 71 -11.710 -0.681 -11.756 544 1HG1 VAL 71 1HG1 VAL 71 -10.443 -2.752 -11.752 545 2HG1 VAL 71 2HG1 VAL 71 -10.269 -2.587 -9.995 546 3HG1 VAL 71 3HG1 VAL 71 -9.584 -1.366 -11.093 547 1HG2 VAL 71 1HG2 VAL 71 -12.741 -2.865 -11.830 548 2HG2 VAL 71 2HG2 VAL 71 -13.772 -1.693 -10.992 549 3HG2 VAL 71 3HG2 VAL 71 -12.829 -2.875 -10.072 550 H THR 72 H THR 72 -13.802 -1.134 -8.235 551 HA THR 72 HA THR 72 -12.405 -1.443 -5.780 552 HB THR 72 HB THR 72 -14.661 -2.108 -4.957 553 HG1 THR 72 1HG THR 72 -16.347 -1.601 -6.614 554 1HG2 THR 72 1HG2 THR 72 -15.673 0.117 -5.283 555 2HG2 THR 72 2HG2 THR 72 -14.526 0.441 -6.585 556 3HG2 THR 72 3HG2 THR 72 -13.951 0.233 -4.931 557 H LEU 73 H LEU 73 -12.526 -3.399 -4.487 558 HA LEU 73 HA LEU 73 -11.544 -5.662 -5.838 559 1HB LEU 73 2HB LEU 73 -12.668 -5.458 -3.064 560 2HB LEU 73 1HB LEU 73 -11.681 -6.761 -3.668 561 HG LEU 73 HG LEU 73 -10.273 -5.536 -2.325 562 1HD1 LEU 73 1HD1 LEU 73 -8.588 -4.522 -3.719 563 2HD1 LEU 73 2HD1 LEU 73 -9.730 -4.464 -5.032 564 3HD1 LEU 73 3HD1 LEU 73 -9.207 -6.036 -4.395 565 1HD2 LEU 73 1HD2 LEU 73 -9.994 -3.129 -2.303 566 2HD2 LEU 73 2HD2 LEU 73 -11.669 -3.564 -1.961 567 3HD2 LEU 73 3HD2 LEU 73 -11.213 -2.953 -3.553 568 H GLY 74 H GLY 74 -14.755 -4.701 -4.864 569 1HA GLY 74 2HA GLY 74 -16.022 -7.211 -5.094 570 2HA GLY 74 1HA GLY 74 -16.802 -5.640 -5.272 571 H ALA 75 H ALA 75 -15.239 -4.670 -7.395 572 HA ALA 75 HA ALA 75 -16.508 -5.992 -9.581 573 1HB ALA 75 1HB ALA 75 -16.300 -3.537 -9.507 574 2HB ALA 75 2HB ALA 75 -15.502 -4.222 -10.928 575 3HB ALA 75 3HB ALA 75 -14.543 -3.706 -9.553 576 H LEU 76 H LEU 76 -13.533 -6.210 -7.953 577 HA LEU 76 HA LEU 76 -12.057 -7.336 -10.148 578 1HB LEU 76 2HB LEU 76 -11.469 -7.178 -7.229 579 2HB LEU 76 1HB LEU 76 -10.329 -7.721 -8.446 580 HG LEU 76 HG LEU 76 -11.457 -4.922 -8.186 581 1HD1 LEU 76 1HD1 LEU 76 -9.268 -4.342 -7.518 582 2HD1 LEU 76 2HD1 LEU 76 -8.721 -5.986 -7.841 583 3HD1 LEU 76 3HD1 LEU 76 -9.808 -5.692 -6.502 584 1HD2 LEU 76 1HD2 LEU 76 -9.496 -6.179 -9.952 585 2HD2 LEU 76 2HD2 LEU 76 -9.747 -4.445 -9.858 586 3HD2 LEU 76 3HD2 LEU 76 -11.033 -5.508 -10.500 587 H LYS 77 H LYS 77 -14.506 -8.483 -8.415 588 HA LYS 77 HA LYS 77 -15.435 -10.477 -8.099 589 1HB LYS 77 2HB LYS 77 -13.139 -11.554 -9.758 590 2HB LYS 77 1HB LYS 77 -14.470 -12.545 -9.197 591 1HG LYS 77 2HG LYS 77 -14.997 -12.014 -11.429 592 2HG LYS 77 1HG LYS 77 -15.989 -10.923 -10.469 593 1HD LYS 77 2HD LYS 77 -14.188 -9.194 -10.781 594 2HD LYS 77 1HD LYS 77 -13.429 -10.293 -11.922 595 1HE LYS 77 2HE LYS 77 -16.195 -9.096 -12.139 596 2HE LYS 77 1HE LYS 77 -14.792 -8.641 -13.099 597 1HZ LYS 77 1HZ LYS 77 -16.227 -10.055 -14.340 598 2HZ LYS 77 2HZ LYS 77 -16.234 -11.237 -13.161 599 3HZ LYS 77 3HZ LYS 77 -14.812 -10.916 -14.030 600 H LEU 78 H LEU 78 -13.414 -9.438 -6.167 601 HA LEU 78 HA LEU 78 -12.285 -11.789 -5.043 602 1HB LEU 78 2HB LEU 78 -12.573 -9.012 -3.948 603 2HB LEU 78 1HB LEU 78 -12.104 -10.320 -2.888 604 HG LEU 78 HG LEU 78 -10.150 -10.731 -4.378 605 1HD1 LEU 78 1HD1 LEU 78 -9.430 -8.999 -5.902 606 2HD1 LEU 78 2HD1 LEU 78 -10.943 -8.140 -5.614 607 3HD1 LEU 78 3HD1 LEU 78 -10.965 -9.719 -6.406 608 1HD2 LEU 78 1HD2 LEU 78 -9.917 -9.508 -2.310 609 2HD2 LEU 78 2HD2 LEU 78 -10.307 -7.993 -3.132 610 3HD2 LEU 78 3HD2 LEU 78 -8.836 -8.869 -3.545 611 HA PRO 79 HA PRO 79 -16.010 -13.088 -2.985 612 1HB PRO 79 2HB PRO 79 -14.654 -15.359 -1.936 613 2HB PRO 79 1HB PRO 79 -15.741 -15.315 -3.320 614 1HG PRO 79 2HG PRO 79 -12.986 -15.812 -3.425 615 2HG PRO 79 1HG PRO 79 -14.015 -15.376 -4.794 616 1HD PRO 79 2HD PRO 79 -12.120 -13.686 -3.244 617 2HD PRO 79 1HD PRO 79 -12.660 -13.603 -4.935 618 H PHE 80 H PHE 80 -16.730 -13.088 -0.886 619 HA PHE 80 HA PHE 80 -15.107 -11.694 1.011 620 1HB PHE 80 2HB PHE 80 -17.771 -13.049 1.533 621 2HB PHE 80 1HB PHE 80 -17.014 -11.788 2.477 622 HD1 PHE 80 1HD PHE 80 -16.302 -10.321 -0.340 623 HD2 PHE 80 2HD PHE 80 -19.760 -11.738 1.622 624 HE1 PHE 80 1HE PHE 80 -17.640 -8.658 -1.560 625 HE2 PHE 80 2HE PHE 80 -21.147 -10.075 0.400 626 HZ PHE 80 HZ PHE 80 -20.077 -8.538 -1.190 627 H GLY 81 H GLY 81 -14.204 -12.538 2.849 628 1HA GLY 81 2HA GLY 81 -13.598 -14.124 4.420 629 2HA GLY 81 1HA GLY 81 -14.671 -15.278 3.708 630 H LYS 82 H LYS 82 -12.851 -14.143 1.201 631 HA LYS 82 HA LYS 82 -10.960 -16.308 1.624 632 1HB LYS 82 2HB LYS 82 -12.199 -15.409 -0.955 633 2HB LYS 82 1HB LYS 82 -10.961 -16.653 -0.807 634 1HG LYS 82 2HG LYS 82 -12.478 -17.939 0.672 635 2HG LYS 82 1HG LYS 82 -13.712 -16.709 0.387 636 1HD LYS 82 2HD LYS 82 -13.574 -17.142 -1.953 637 2HD LYS 82 1HD LYS 82 -12.410 -18.439 -1.685 638 1HE LYS 82 2HE LYS 82 -14.072 -19.615 -0.260 639 2HE LYS 82 1HE LYS 82 -15.245 -18.356 -0.621 640 1HZ LYS 82 1HZ LYS 82 -15.585 -20.296 -2.012 641 2HZ LYS 82 2HZ LYS 82 -14.007 -20.184 -2.594 642 3HZ LYS 82 3HZ LYS 82 -15.110 -18.998 -2.981 643 H THR 83 H THR 83 -8.828 -16.033 0.920 644 HA THR 83 HA THR 83 -7.942 -13.294 1.036 645 HB THR 83 HB THR 83 -6.282 -15.811 0.808 646 HG1 THR 83 1HG THR 83 -7.085 -14.389 3.143 647 1HG2 THR 83 1HG2 THR 83 -4.575 -14.405 1.882 648 2HG2 THR 83 2HG2 THR 83 -5.708 -13.055 1.911 649 3HG2 THR 83 3HG2 THR 83 -5.119 -13.676 0.366 650 H THR 84 H THR 84 -7.502 -12.133 -0.649 651 HA THR 84 HA THR 84 -6.631 -13.510 -3.100 652 HB THR 84 HB THR 84 -8.263 -10.955 -3.008 653 HG1 THR 84 1HG THR 84 -9.427 -12.839 -2.375 654 1HG2 THR 84 1HG2 THR 84 -8.494 -11.333 -5.446 655 2HG2 THR 84 2HG2 THR 84 -7.475 -12.762 -5.319 656 3HG2 THR 84 3HG2 THR 84 -6.800 -11.168 -4.991 657 H VAL 85 H VAL 85 -4.814 -12.709 -4.062 658 HA VAL 85 HA VAL 85 -3.433 -10.572 -2.628 659 HB VAL 85 HB VAL 85 -2.327 -12.775 -2.630 660 1HG1 VAL 85 1HG1 VAL 85 -1.398 -13.714 -4.713 661 2HG1 VAL 85 2HG1 VAL 85 -2.271 -12.471 -5.622 662 3HG1 VAL 85 3HG1 VAL 85 -3.164 -13.669 -4.698 663 1HG2 VAL 85 1HG2 VAL 85 -0.115 -12.060 -3.434 664 2HG2 VAL 85 2HG2 VAL 85 -0.931 -10.782 -2.528 665 3HG2 VAL 85 3HG2 VAL 85 -0.880 -10.722 -4.289 666 H MET 86 H MET 86 -2.711 -8.752 -3.685 667 HA MET 86 HA MET 86 -2.899 -8.678 -6.590 668 1HB MET 86 2HB MET 86 -4.125 -6.646 -4.743 669 2HB MET 86 1HB MET 86 -3.874 -6.408 -6.466 670 1HG MET 86 2HG MET 86 -5.312 -8.336 -6.899 671 2HG MET 86 1HG MET 86 -5.613 -8.484 -5.181 672 1HE MET 86 1HE MET 86 -5.247 -5.071 -7.199 673 2HE MET 86 2HE MET 86 -6.935 -4.830 -7.675 674 3HE MET 86 3HE MET 86 -6.028 -6.181 -8.330 675 H HIS 87 H HIS 87 -1.658 -7.039 -7.564 676 HA HIS 87 HA HIS 87 0.542 -6.107 -5.854 677 1HB HIS 87 2HB HIS 87 0.449 -6.385 -8.884 678 2HB HIS 87 1HB HIS 87 1.774 -5.742 -7.903 679 HD1 HIS 87 1HD HIS 87 3.611 -7.387 -7.636 680 HD2 HIS 87 2HD HIS 87 -0.088 -9.259 -7.942 681 HE1 HIS 87 1HE HIS 87 4.082 -9.850 -7.531 682 HE2 HIS 87 2HE HIS 87 1.841 -10.913 -8.045 683 H LEU 88 H LEU 88 0.722 -3.918 -5.562 684 HA LEU 88 HA LEU 88 -1.086 -2.352 -7.222 685 1HB LEU 88 2HB LEU 88 -0.624 -2.069 -4.261 686 2HB LEU 88 1HB LEU 88 -1.434 -0.885 -5.256 687 HG LEU 88 HG LEU 88 -3.069 -2.109 -4.033 688 1HD1 LEU 88 1HD1 LEU 88 -3.733 -1.487 -6.229 689 2HD1 LEU 88 2HD1 LEU 88 -4.463 -3.028 -5.774 690 3HD1 LEU 88 3HD1 LEU 88 -3.098 -2.998 -6.884 691 1HD2 LEU 88 1HD2 LEU 88 -3.380 -4.525 -4.232 692 2HD2 LEU 88 2HD2 LEU 88 -1.806 -4.116 -3.539 693 3HD2 LEU 88 3HD2 LEU 88 -1.923 -4.625 -5.222 694 H VAL 89 H VAL 89 -0.375 -0.429 -7.906 695 HA VAL 89 HA VAL 89 2.293 0.216 -6.999 696 HB VAL 89 HB VAL 89 2.825 1.162 -9.177 697 1HG1 VAL 89 1HG1 VAL 89 1.796 -1.649 -9.440 698 2HG1 VAL 89 2HG1 VAL 89 3.385 -1.167 -8.850 699 3HG1 VAL 89 3HG1 VAL 89 2.939 -0.872 -10.530 700 1HG2 VAL 89 1HG2 VAL 89 1.375 0.903 -11.116 701 2HG2 VAL 89 2HG2 VAL 89 0.579 1.845 -9.852 702 3HG2 VAL 89 3HG2 VAL 89 0.141 0.154 -10.102 703 H ALA 90 H ALA 90 2.590 2.132 -6.284 704 HA ALA 90 HA ALA 90 0.674 4.215 -6.877 705 1HB ALA 90 1HB ALA 90 0.894 5.023 -4.564 706 2HB ALA 90 2HB ALA 90 1.857 3.601 -4.147 707 3HB ALA 90 3HB ALA 90 0.157 3.423 -4.599 708 H ARG 91 H ARG 91 1.739 6.119 -7.309 709 HA ARG 91 HA ARG 91 4.604 5.753 -7.336 710 1HB ARG 91 2HB ARG 91 2.842 7.464 -9.130 711 2HB ARG 91 1HB ARG 91 4.586 7.287 -9.260 712 1HG ARG 91 2HG ARG 91 4.389 4.952 -9.784 713 2HG ARG 91 1HG ARG 91 2.656 4.987 -9.502 714 1HD ARG 91 2HD ARG 91 2.427 6.538 -11.428 715 2HD ARG 91 1HD ARG 91 4.166 6.382 -11.703 716 HE ARG 91 HE ARG 91 3.548 3.867 -11.788 717 1HH1 ARG 91 1HH1 ARG 91 1.685 6.516 -13.243 718 2HH1 ARG 91 2HH1 ARG 91 1.023 5.558 -14.470 719 1HH2 ARG 91 1HH2 ARG 91 2.627 2.564 -13.462 720 2HH2 ARG 91 2HH2 ARG 91 1.555 3.252 -14.606 721 H GLU 92 H GLU 92 5.802 7.604 -6.812 722 HA GLU 92 HA GLU 92 4.964 8.727 -4.391 723 1HB GLU 92 2HB GLU 92 7.146 9.933 -4.531 724 2HB GLU 92 1HB GLU 92 7.208 8.185 -4.694 725 1HG GLU 92 2HG GLU 92 7.212 8.604 -7.215 726 2HG GLU 92 1HG GLU 92 7.579 10.277 -6.798 727 H THR 93 H THR 93 3.538 9.569 -6.871 728 HA THR 93 HA THR 93 2.168 11.097 -7.429 729 HB THR 93 HB THR 93 3.106 12.667 -4.999 730 HG1 THR 93 1HG THR 93 1.985 11.300 -3.912 731 1HG2 THR 93 1HG2 THR 93 1.779 14.051 -6.553 732 2HG2 THR 93 2HG2 THR 93 0.899 13.719 -5.062 733 3HG2 THR 93 3HG2 THR 93 0.500 12.830 -6.535 734 H LEU 94 H LEU 94 2.073 13.174 -8.617 735 HA LEU 94 HA LEU 94 4.665 14.367 -9.199 736 1HB LEU 94 2HB LEU 94 3.202 13.287 -11.046 737 2HB LEU 94 1HB LEU 94 2.085 14.600 -10.694 738 HG LEU 94 HG LEU 94 3.696 16.234 -11.449 739 1HD1 LEU 94 1HD1 LEU 94 5.769 15.530 -12.556 740 2HD1 LEU 94 2HD1 LEU 94 5.428 13.857 -12.136 741 3HD1 LEU 94 3HD1 LEU 94 5.775 15.019 -10.867 742 1HD2 LEU 94 1HD2 LEU 94 3.649 15.658 -13.830 743 2HD2 LEU 94 2HD2 LEU 94 2.115 15.289 -13.043 744 3HD2 LEU 94 3HD2 LEU 94 3.247 13.989 -13.421 745 HA PRO 95 HA PRO 95 2.949 17.599 -6.704 746 1HB PRO 95 2HB PRO 95 4.728 19.583 -7.213 747 2HB PRO 95 1HB PRO 95 5.092 18.187 -6.195 748 1HG PRO 95 2HG PRO 95 5.874 18.731 -9.016 749 2HG PRO 95 1HG PRO 95 6.782 17.914 -7.736 750 1HD PRO 95 2HD PRO 95 5.407 16.656 -9.780 751 2HD PRO 95 1HD PRO 95 5.848 15.868 -8.258 752 H GLU 96 H GLU 96 3.101 17.894 -10.097 753 HA GLU 96 HA GLU 96 1.023 19.849 -10.212 754 1HB GLU 96 2HB GLU 96 2.402 21.474 -11.522 755 2HB GLU 96 1HB GLU 96 2.913 21.344 -9.841 756 1HG GLU 96 2HG GLU 96 4.718 19.827 -10.518 757 2HG GLU 96 1HG GLU 96 4.213 19.992 -12.192 758 HA PRO 97 HA PRO 97 0.447 17.619 -14.063 759 1HB PRO 97 2HB PRO 97 -0.364 19.760 -15.678 760 2HB PRO 97 1HB PRO 97 -1.442 18.770 -14.691 761 1HG PRO 97 2HG PRO 97 -0.272 21.446 -14.134 762 2HG PRO 97 1HG PRO 97 -1.864 20.812 -13.697 763 1HD PRO 97 2HD PRO 97 0.107 21.033 -11.883 764 2HD PRO 97 1HD PRO 97 -1.044 19.684 -11.845 765 H ASN 98 H ASN 98 1.656 20.918 -14.776 766 HA ASN 98 HA ASN 98 4.302 20.264 -15.244 767 1HB ASN 98 2HB ASN 98 3.439 18.978 -17.230 768 2HB ASN 98 1HB ASN 98 2.807 20.489 -17.879 769 1HD2 ASN 98 1HD2 ASN 98 4.270 22.003 -18.732 770 2HD2 ASN 98 2HD2 ASN 98 5.909 21.594 -19.092 771 H SER 99 H SER 99 4.125 22.212 -13.936 772 HA SER 99 HA SER 99 4.209 24.426 -13.526 773 1HB SER 99 2HB SER 99 5.714 24.263 -16.131 774 2HB SER 99 1HB SER 99 5.901 25.532 -14.916 775 HG SER 99 HG SER 99 6.094 23.271 -13.621 776 H GLN 100 H GLN 100 1.730 23.886 -14.809 777 HA GLN 100 HA GLN 100 1.320 25.880 -16.875 778 1HB GLN 100 2HB GLN 100 0.210 23.593 -16.805 779 2HB GLN 100 1HB GLN 100 -0.740 24.180 -15.452 780 1HG GLN 100 2HG GLN 100 -2.048 24.327 -17.464 781 2HG GLN 100 1HG GLN 100 -1.648 25.957 -16.914 782 1HE2 GLN 100 1HE2 GLN 100 -1.941 26.802 -18.996 783 2HE2 GLN 100 2HE2 GLN 100 -0.774 26.528 -20.248 784 H GLY 101 H GLY 101 1.239 25.656 -13.499 785 1HA GLY 101 2HA GLY 101 0.852 27.344 -11.941 786 2HA GLY 101 1HA GLY 101 0.149 28.328 -13.226 787 H GLN 102 H GLN 102 -0.940 25.202 -13.239 788 HA GLN 102 HA GLN 102 -3.446 25.990 -11.941 789 1HB GLN 102 2HB GLN 102 -2.991 24.090 -14.241 790 2HB GLN 102 1HB GLN 102 -4.545 24.372 -13.465 791 1HG GLN 102 2HG GLN 102 -2.914 26.460 -14.900 792 2HG GLN 102 1HG GLN 102 -4.301 25.606 -15.574 793 1HE2 GLN 102 1HE2 GLN 102 -3.895 28.468 -15.081 794 2HE2 GLN 102 2HE2 GLN 102 -5.212 28.941 -14.067 795 H ARG 103 H ARG 103 -4.436 24.505 -10.620 796 HA ARG 103 HA ARG 103 -3.096 22.000 -9.989 797 1HB ARG 103 2HB ARG 103 -2.912 22.558 -7.629 798 2HB ARG 103 1HB ARG 103 -2.061 23.802 -8.539 799 1HG ARG 103 2HG ARG 103 -3.974 25.305 -8.308 800 2HG ARG 103 1HG ARG 103 -4.861 24.054 -7.449 801 1HD ARG 103 2HD ARG 103 -3.054 24.078 -5.731 802 2HD ARG 103 1HD ARG 103 -2.376 25.500 -6.528 803 HE ARG 103 HE ARG 103 -5.022 25.312 -5.272 804 1HH1 ARG 103 1HH1 ARG 103 -2.362 27.352 -6.433 805 2HH1 ARG 103 2HH1 ARG 103 -2.853 28.753 -5.646 806 1HH2 ARG 103 1HH2 ARG 103 -5.721 27.283 -4.087 807 2HH2 ARG 103 2HH2 ARG 103 -4.807 28.699 -4.262 808 H ASN 104 H ASN 104 -4.596 21.205 -7.910 809 HA ASN 104 HA ASN 104 -7.289 21.105 -8.806 810 1HB ASN 104 2HB ASN 104 -6.221 20.589 -6.003 811 2HB ASN 104 1HB ASN 104 -7.826 20.163 -6.567 812 1HD2 ASN 104 1HD2 ASN 104 -5.810 18.479 -5.451 813 2HD2 ASN 104 2HD2 ASN 104 -5.408 17.307 -6.642 814 H ARG 105 H ARG 105 -8.967 22.361 -8.267 815 HA ARG 105 HA ARG 105 -8.508 25.088 -7.668 816 1HB ARG 105 2HB ARG 105 -11.158 23.672 -7.311 817 2HB ARG 105 1HB ARG 105 -10.885 25.348 -7.768 818 1HG ARG 105 2HG ARG 105 -10.347 22.907 -9.458 819 2HG ARG 105 1HG ARG 105 -11.606 24.115 -9.697 820 1HD ARG 105 2HD ARG 105 -9.958 25.794 -10.196 821 2HD ARG 105 1HD ARG 105 -8.659 24.691 -9.760 822 HE ARG 105 HE ARG 105 -10.230 23.566 -11.794 823 1HH1 ARG 105 1HH1 ARG 105 -7.840 26.081 -11.244 824 2HH1 ARG 105 2HH1 ARG 105 -7.141 26.033 -12.779 825 1HH2 ARG 105 1HH2 ARG 105 -9.284 23.424 -13.973 826 2HH2 ARG 105 2HH2 ARG 105 -8.012 24.466 -14.390 827 H GLU 106 H GLU 106 -9.493 22.395 -5.843 828 HA GLU 106 HA GLU 106 -8.502 22.977 -3.361 829 1HB GLU 106 2HB GLU 106 -10.303 24.767 -3.367 830 2HB GLU 106 1HB GLU 106 -11.499 23.508 -3.614 831 1HG GLU 106 2HG GLU 106 -10.847 22.523 -1.465 832 2HG GLU 106 1HG GLU 106 -9.724 23.863 -1.221 833 H LYS 107 H LYS 107 -11.492 22.031 -4.737 834 HA LYS 107 HA LYS 107 -10.835 19.288 -5.160 835 1HB LYS 107 2HB LYS 107 -13.252 20.019 -3.403 836 2HB LYS 107 1HB LYS 107 -12.923 18.430 -4.052 837 1HG LYS 107 2HG LYS 107 -10.877 18.309 -2.679 838 2HG LYS 107 1HG LYS 107 -11.253 19.890 -2.016 839 1HD LYS 107 2HD LYS 107 -13.343 19.006 -1.092 840 2HD LYS 107 1HD LYS 107 -12.964 17.417 -1.762 841 1HE LYS 107 2HE LYS 107 -10.918 17.340 -0.401 842 2HE LYS 107 1HE LYS 107 -11.318 18.916 0.278 843 1HZ LYS 107 1HZ LYS 107 -11.964 17.133 1.767 844 2HZ LYS 107 2HZ LYS 107 -12.892 16.422 0.573 845 3HZ LYS 107 3HZ LYS 107 -13.351 17.909 1.204 846 H THR 108 H THR 108 -13.227 21.797 -4.872 847 HA THR 108 HA THR 108 -13.683 21.969 -7.751 848 HB THR 108 HB THR 108 -16.102 22.283 -7.244 849 HG1 THR 108 1HG THR 108 -16.494 22.612 -5.204 850 1HG2 THR 108 1HG2 THR 108 -16.738 19.918 -6.919 851 2HG2 THR 108 2HG2 THR 108 -15.095 19.573 -6.384 852 3HG2 THR 108 3HG2 THR 108 -15.390 20.074 -8.050 853 H GLY 109 H GLY 109 -15.406 24.047 -7.666 854 1HA GLY 109 2HA GLY 109 -15.506 26.095 -6.172 855 2HA GLY 109 1HA GLY 109 -13.752 26.016 -6.245 856 H GLU 110 H GLU 110 -12.799 26.114 -8.364 857 HA GLU 110 HA GLU 110 -14.088 28.275 -9.866 858 1HB GLU 110 2HB GLU 110 -11.403 26.991 -10.408 859 2HB GLU 110 1HB GLU 110 -12.039 28.380 -11.248 860 1HG GLU 110 2HG GLU 110 -10.462 29.223 -9.737 861 2HG GLU 110 1HG GLU 110 -12.032 29.571 -9.030 862 H SER 111 H SER 111 -13.747 24.963 -10.011 863 HA SER 111 HA SER 111 -15.367 24.769 -12.319 864 1HB SER 111 2HB SER 111 -13.076 25.020 -13.313 865 2HB SER 111 1HB SER 111 -12.539 23.640 -12.361 866 HG SER 111 HG SER 111 -14.083 23.767 -14.642 867 H ASN 112 H ASN 112 -16.140 22.581 -12.433 868 HA ASN 112 HA ASN 112 -15.265 20.742 -10.404 869 1HB ASN 112 2HB ASN 112 -17.566 20.270 -9.588 870 2HB ASN 112 1HB ASN 112 -17.120 21.931 -9.274 871 1HD2 ASN 112 1HD2 ASN 112 -19.186 19.808 -11.037 872 2HD2 ASN 112 2HD2 ASN 112 -20.269 21.014 -11.632 873 H CYS 113 H CYS 113 -15.108 18.808 -11.249 874 HA CYS 113 HA CYS 113 -15.787 18.580 -14.017 875 1HB CYS 113 2HB CYS 113 -13.589 17.859 -13.208 876 2HB CYS 113 1HB CYS 113 -14.356 16.642 -12.201 877 HG CYS 113 HG CYS 113 -14.754 16.621 -15.594 878 H CYS 114 H CYS 114 -17.888 18.241 -14.341 879 HA CYS 114 HA CYS 114 -19.373 16.329 -12.876 880 1HB CYS 114 2HB CYS 114 -21.040 16.653 -14.749 881 2HB CYS 114 1HB CYS 114 -20.572 18.138 -13.929 882 HG CYS 114 HG CYS 114 -20.560 17.519 -17.096 883 H VAL 115 H VAL 115 -19.362 14.193 -13.139 884 HA VAL 115 HA VAL 115 -17.491 13.027 -14.867 885 HB VAL 115 HB VAL 115 -18.352 10.823 -14.110 886 1HG1 VAL 115 1HG1 VAL 115 -17.941 12.838 -11.913 887 2HG1 VAL 115 2HG1 VAL 115 -16.679 11.974 -12.796 888 3HG1 VAL 115 3HG1 VAL 115 -17.782 11.091 -11.744 889 1HG2 VAL 115 1HG2 VAL 115 -20.730 11.364 -13.915 890 2HG2 VAL 115 2HG2 VAL 115 -20.384 12.455 -12.576 891 3HG2 VAL 115 3HG2 VAL 115 -20.113 10.722 -12.393 892 H ILE 116 H ILE 116 -17.594 12.508 -16.876 893 HA ILE 116 HA ILE 116 -20.082 12.744 -18.262 894 HB ILE 116 HB ILE 116 -18.786 12.280 -20.323 895 1HG1 ILE 116 2HG1 ILE 116 -16.398 12.147 -18.449 896 2HG1 ILE 116 1HG1 ILE 116 -17.068 10.801 -19.354 897 1HG2 ILE 116 1HG2 ILE 116 -17.671 14.440 -18.541 898 2HG2 ILE 116 2HG2 ILE 116 -19.082 14.558 -19.589 899 3HG2 ILE 116 3HG2 ILE 116 -17.476 14.365 -20.293 900 1HD1 ILE 116 1HD1 ILE 116 -15.050 11.660 -20.396 901 2HD1 ILE 116 2HD1 ILE 116 -15.786 13.256 -20.530 902 3HD1 ILE 116 3HD1 ILE 116 -16.443 11.900 -21.447 903 H LEU 117 H LEU 117 -20.887 11.147 -19.689 904 HA LEU 117 HA LEU 117 -20.463 8.439 -18.669 905 1HB LEU 117 2HB LEU 117 -22.669 9.437 -18.149 906 2HB LEU 117 1HB LEU 117 -22.943 9.684 -19.861 907 HG LEU 117 HG LEU 117 -22.929 7.223 -20.186 908 1HD1 LEU 117 1HD1 LEU 117 -21.527 6.584 -18.307 909 2HD1 LEU 117 2HD1 LEU 117 -23.092 5.774 -18.205 910 3HD1 LEU 117 3HD1 LEU 117 -22.751 7.159 -17.179 911 1HD2 LEU 117 1HD2 LEU 117 -25.096 6.818 -19.144 912 2HD2 LEU 117 2HD2 LEU 117 -25.029 8.427 -19.867 913 3HD2 LEU 117 3HD2 LEU 117 -24.883 8.239 -18.121 Start of MODEL 20 1 H SER 2 H SER 2 -6.594 -11.405 13.339 2 HA SER 2 HA SER 2 -6.331 -10.989 10.535 3 1HB SER 2 2HB SER 2 -3.995 -11.892 10.420 4 2HB SER 2 1HB SER 2 -4.090 -10.293 11.159 5 HG SER 2 HG SER 2 -3.992 -11.327 13.198 6 H SER 3 H SER 3 -5.893 -13.064 9.424 7 HA SER 3 HA SER 3 -6.126 -15.255 9.020 8 1HB SER 3 2HB SER 3 -5.630 -15.565 11.985 9 2HB SER 3 1HB SER 3 -5.546 -16.859 10.787 10 HG SER 3 HG SER 3 -3.975 -15.472 9.703 11 H ASN 4 H ASN 4 -8.467 -13.563 10.121 12 HA ASN 4 HA ASN 4 -10.339 -15.778 9.991 13 1HB ASN 4 2HB ASN 4 -10.055 -15.460 12.424 14 2HB ASN 4 1HB ASN 4 -10.442 -13.749 12.247 15 1HD2 ASN 4 1HD2 ASN 4 -12.211 -13.883 13.595 16 2HD2 ASN 4 2HD2 ASN 4 -13.685 -14.648 13.160 17 H VAL 5 H VAL 5 -11.453 -15.202 8.240 18 HA VAL 5 HA VAL 5 -12.000 -12.363 7.862 19 HB VAL 5 HB VAL 5 -12.199 -14.567 5.832 20 1HG1 VAL 5 1HG1 VAL 5 -12.054 -12.725 4.213 21 2HG1 VAL 5 2HG1 VAL 5 -11.999 -11.585 5.559 22 3HG1 VAL 5 3HG1 VAL 5 -13.441 -12.569 5.300 23 1HG2 VAL 5 1HG2 VAL 5 -10.019 -13.860 4.974 24 2HG2 VAL 5 2HG2 VAL 5 -9.907 -14.496 6.616 25 3HG2 VAL 5 3HG2 VAL 5 -9.836 -12.755 6.340 26 HA PRO 6 HA PRO 6 -16.296 -13.646 8.582 27 1HB PRO 6 2HB PRO 6 -17.045 -10.888 8.093 28 2HB PRO 6 1HB PRO 6 -17.092 -11.775 9.614 29 1HG PRO 6 2HG PRO 6 -15.364 -9.714 9.066 30 2HG PRO 6 1HG PRO 6 -15.057 -10.973 10.277 31 1HD PRO 6 2HD PRO 6 -13.958 -10.656 7.527 32 2HD PRO 6 1HD PRO 6 -13.206 -11.316 8.997 33 H ALA 7 H ALA 7 -18.297 -13.528 7.290 34 HA ALA 7 HA ALA 7 -17.763 -13.619 4.448 35 1HB ALA 7 1HB ALA 7 -20.043 -14.516 4.352 36 2HB ALA 7 2HB ALA 7 -20.227 -14.193 6.081 37 3HB ALA 7 3HB ALA 7 -19.050 -15.387 5.527 38 H ASP 8 H ASP 8 -17.598 -11.154 5.665 39 HA ASP 8 HA ASP 8 -19.722 -9.613 4.318 40 1HB ASP 8 2HB ASP 8 -20.178 -9.596 6.718 41 2HB ASP 8 1HB ASP 8 -18.532 -9.092 7.053 42 H MET 9 H MET 9 -16.421 -10.211 4.968 43 HA MET 9 HA MET 9 -15.587 -7.660 3.741 44 1HB MET 9 2HB MET 9 -14.178 -9.218 5.923 45 2HB MET 9 1HB MET 9 -13.580 -7.753 5.163 46 1HG MET 9 2HG MET 9 -16.138 -7.926 6.708 47 2HG MET 9 1HG MET 9 -14.602 -7.446 7.435 48 1HE MET 9 1HE MET 9 -13.901 -4.033 5.720 49 2HE MET 9 2HE MET 9 -13.259 -5.613 5.289 50 3HE MET 9 3HE MET 9 -13.420 -5.158 6.991 51 H ILE 10 H ILE 10 -13.792 -7.815 2.356 52 HA ILE 10 HA ILE 10 -13.107 -10.537 1.611 53 HB ILE 10 HB ILE 10 -12.206 -9.531 -0.553 54 1HG1 ILE 10 2HG1 ILE 10 -13.392 -7.280 -1.132 55 2HG1 ILE 10 1HG1 ILE 10 -13.387 -7.100 0.624 56 1HG2 ILE 10 1HG2 ILE 10 -14.283 -9.175 -1.633 57 2HG2 ILE 10 2HG2 ILE 10 -15.091 -9.045 -0.077 58 3HG2 ILE 10 3HG2 ILE 10 -14.353 -10.596 -0.571 59 1HD1 ILE 10 1HD1 ILE 10 -10.928 -7.236 0.601 60 2HD1 ILE 10 2HD1 ILE 10 -11.548 -5.944 -0.470 61 3HD1 ILE 10 3HD1 ILE 10 -11.022 -7.463 -1.160 62 H ASN 11 H ASN 11 -10.957 -11.233 1.553 63 HA ASN 11 HA ASN 11 -9.264 -9.600 3.316 64 1HB ASN 11 2HB ASN 11 -9.824 -12.040 3.831 65 2HB ASN 11 1HB ASN 11 -8.825 -12.455 2.464 66 1HD2 ASN 11 1HD2 ASN 11 -6.545 -12.161 2.608 67 2HD2 ASN 11 2HD2 ASN 11 -5.798 -11.923 4.128 68 H LEU 12 H LEU 12 -7.772 -8.413 2.362 69 HA LEU 12 HA LEU 12 -6.910 -9.267 -0.298 70 1HB LEU 12 2HB LEU 12 -8.418 -7.473 -0.520 71 2HB LEU 12 1HB LEU 12 -7.640 -6.569 0.756 72 HG LEU 12 HG LEU 12 -5.700 -6.211 -0.679 73 1HD1 LEU 12 1HD1 LEU 12 -5.798 -6.734 -3.038 74 2HD1 LEU 12 2HD1 LEU 12 -7.249 -7.723 -2.766 75 3HD1 LEU 12 3HD1 LEU 12 -5.694 -8.134 -1.991 76 1HD2 LEU 12 1HD2 LEU 12 -8.333 -5.460 -1.885 77 2HD2 LEU 12 2HD2 LEU 12 -6.787 -4.710 -2.274 78 3HD2 LEU 12 3HD2 LEU 12 -7.450 -4.579 -0.638 79 H ARG 13 H ARG 13 -4.827 -9.375 -0.668 80 HA ARG 13 HA ARG 13 -3.010 -8.180 1.287 81 1HB ARG 13 2HB ARG 13 -2.864 -10.682 0.909 82 2HB ARG 13 1HB ARG 13 -2.384 -10.318 -0.731 83 1HG ARG 13 2HG ARG 13 -0.380 -9.296 -0.050 84 2HG ARG 13 1HG ARG 13 -0.878 -9.268 1.645 85 1HD ARG 13 2HD ARG 13 -0.961 -11.677 1.626 86 2HD ARG 13 1HD ARG 13 -0.327 -11.707 -0.029 87 HE ARG 13 HE ARG 13 1.549 -10.306 1.289 88 1HH1 ARG 13 1HH1 ARG 13 0.031 -13.402 2.029 89 2HH1 ARG 13 2HH1 ARG 13 1.335 -14.015 2.931 90 1HH2 ARG 13 1HH2 ARG 13 3.375 -11.114 2.499 91 2HH2 ARG 13 2HH2 ARG 13 3.306 -12.659 3.214 92 H LEU 14 H LEU 14 -2.121 -6.542 0.696 93 HA LEU 14 HA LEU 14 -2.033 -5.666 -2.107 94 1HB LEU 14 2HB LEU 14 -1.627 -3.994 0.465 95 2HB LEU 14 1HB LEU 14 -1.524 -3.387 -1.167 96 HG LEU 14 HG LEU 14 -3.494 -2.737 -0.145 97 1HD1 LEU 14 1HD1 LEU 14 -4.085 -4.738 -2.294 98 2HD1 LEU 14 2HD1 LEU 14 -3.609 -3.053 -2.498 99 3HD1 LEU 14 3HD1 LEU 14 -5.165 -3.443 -1.763 100 1HD2 LEU 14 1HD2 LEU 14 -3.974 -4.449 1.494 101 2HD2 LEU 14 2HD2 LEU 14 -4.128 -5.632 0.209 102 3HD2 LEU 14 3HD2 LEU 14 -5.322 -4.320 0.337 103 H ILE 15 H ILE 15 -0.136 -5.864 -3.242 104 HA ILE 15 HA ILE 15 2.304 -5.942 -1.630 105 HB ILE 15 HB ILE 15 1.991 -6.943 -4.461 106 1HG1 ILE 15 2HG1 ILE 15 1.811 -8.527 -1.847 107 2HG1 ILE 15 1HG1 ILE 15 0.611 -8.343 -3.082 108 1HG2 ILE 15 1HG2 ILE 15 4.131 -7.128 -2.372 109 2HG2 ILE 15 2HG2 ILE 15 4.253 -6.337 -3.940 110 3HG2 ILE 15 3HG2 ILE 15 4.174 -8.103 -3.838 111 1HD1 ILE 15 1HD1 ILE 15 3.231 -9.736 -3.528 112 2HD1 ILE 15 2HD1 ILE 15 1.898 -9.591 -4.677 113 3HD1 ILE 15 3HD1 ILE 15 1.690 -10.526 -3.194 114 H LEU 16 H LEU 16 3.589 -4.333 -1.873 115 HA LEU 16 HA LEU 16 2.984 -2.399 -3.980 116 1HB LEU 16 2HB LEU 16 4.745 -2.120 -1.549 117 2HB LEU 16 1HB LEU 16 4.557 -0.884 -2.765 118 HG LEU 16 HG LEU 16 2.109 -0.807 -2.181 119 1HD1 LEU 16 1HD1 LEU 16 1.402 -1.657 -0.008 120 2HD1 LEU 16 2HD1 LEU 16 2.958 -2.472 0.181 121 3HD1 LEU 16 3HD1 LEU 16 1.857 -2.959 -1.106 122 1HD2 LEU 16 1HD2 LEU 16 3.684 0.840 -1.423 123 2HD2 LEU 16 2HD2 LEU 16 4.071 -0.146 -0.007 124 3HD2 LEU 16 3HD2 LEU 16 2.446 0.531 -0.210 125 H VAL 17 H VAL 17 4.746 -1.344 -5.129 126 HA VAL 17 HA VAL 17 6.402 -3.137 -6.487 127 HB VAL 17 HB VAL 17 7.518 -1.150 -7.472 128 1HG1 VAL 17 1HG1 VAL 17 5.510 -0.222 -8.530 129 2HG1 VAL 17 2HG1 VAL 17 4.525 -1.011 -7.289 130 3HG1 VAL 17 3HG1 VAL 17 5.458 -1.982 -8.423 131 1HG2 VAL 17 1HG2 VAL 17 5.766 0.413 -5.567 132 2HG2 VAL 17 2HG2 VAL 17 6.720 1.101 -6.877 133 3HG2 VAL 17 3HG2 VAL 17 7.526 0.315 -5.516 134 H SER 18 H SER 18 6.911 -1.699 -3.491 135 HA SER 18 HA SER 18 9.771 -1.709 -3.527 136 1HB SER 18 2HB SER 18 7.829 -1.586 -1.219 137 2HB SER 18 1HB SER 18 9.538 -1.148 -1.169 138 HG SER 18 HG SER 18 9.081 0.523 -2.650 139 H GLY 19 H GLY 19 7.433 -4.144 -3.411 140 1HA GLY 19 2HA GLY 19 7.807 -6.404 -3.286 141 2HA GLY 19 1HA GLY 19 9.373 -6.131 -2.556 142 H LYS 20 H LYS 20 7.218 -4.259 -0.973 143 HA LYS 20 HA LYS 20 7.099 -6.133 1.237 144 1HB LYS 20 2HB LYS 20 6.373 -3.195 1.081 145 2HB LYS 20 1HB LYS 20 6.070 -4.173 2.503 146 1HG LYS 20 2HG LYS 20 8.077 -2.880 2.851 147 2HG LYS 20 1HG LYS 20 8.506 -4.576 2.695 148 1HD LYS 20 2HD LYS 20 9.169 -4.181 0.360 149 2HD LYS 20 1HD LYS 20 8.741 -2.482 0.541 150 1HE LYS 20 2HE LYS 20 10.426 -2.216 2.255 151 2HE LYS 20 1HE LYS 20 10.837 -3.926 2.160 152 1HZ LYS 20 1HZ LYS 20 11.515 -3.536 -0.176 153 2HZ LYS 20 2HZ LYS 20 12.416 -2.673 0.936 154 3HZ LYS 20 3HZ LYS 20 11.255 -1.876 0.032 155 H THR 21 H THR 21 5.314 -7.098 1.956 156 HA THR 21 HA THR 21 2.892 -6.615 0.382 157 HB THR 21 HB THR 21 2.327 -8.895 0.613 158 HG1 THR 21 1HG THR 21 4.368 -8.883 2.536 159 1HG2 THR 21 1HG2 THR 21 3.802 -8.527 -1.229 160 2HG2 THR 21 2HG2 THR 21 4.230 -10.073 -0.504 161 3HG2 THR 21 3HG2 THR 21 5.223 -8.647 -0.194 162 H LYS 22 H LYS 22 1.166 -6.084 1.538 163 HA LYS 22 HA LYS 22 1.086 -6.884 4.374 164 1HB LYS 22 2HB LYS 22 0.224 -4.171 3.340 165 2HB LYS 22 1HB LYS 22 -0.197 -4.797 4.923 166 1HG LYS 22 2HG LYS 22 2.252 -4.914 5.448 167 2HG LYS 22 1HG LYS 22 2.559 -4.091 3.912 168 1HD LYS 22 2HD LYS 22 1.217 -2.191 4.635 169 2HD LYS 22 1HD LYS 22 0.813 -3.019 6.133 170 1HE LYS 22 2HE LYS 22 2.523 -1.384 6.568 171 2HE LYS 22 1HE LYS 22 3.208 -2.994 6.749 172 1HZ LYS 22 1HZ LYS 22 3.535 -1.227 4.381 173 2HZ LYS 22 2HZ LYS 22 4.270 -2.736 4.565 174 3HZ LYS 22 3HZ LYS 22 4.660 -1.472 5.590 175 H GLU 23 H GLU 23 -0.908 -7.605 5.175 176 HA GLU 23 HA GLU 23 -3.002 -7.763 3.115 177 1HB GLU 23 2HB GLU 23 -1.654 -9.914 3.537 178 2HB GLU 23 1HB GLU 23 -2.381 -9.909 5.132 179 1HG GLU 23 2HG GLU 23 -4.581 -9.871 4.044 180 2HG GLU 23 1HG GLU 23 -3.772 -10.122 2.532 181 H PHE 24 H PHE 24 -4.967 -7.147 3.800 182 HA PHE 24 HA PHE 24 -5.599 -7.056 6.634 183 1HB PHE 24 2HB PHE 24 -5.629 -4.602 4.883 184 2HB PHE 24 1HB PHE 24 -6.399 -4.695 6.450 185 HD1 PHE 24 1HD PHE 24 -3.397 -4.018 4.646 186 HD2 PHE 24 2HD PHE 24 -4.894 -5.094 8.472 187 HE1 PHE 24 1HE PHE 24 -1.301 -3.253 5.675 188 HE2 PHE 24 2HE PHE 24 -2.795 -4.344 9.515 189 HZ PHE 24 HZ PHE 24 -0.994 -3.418 8.113 190 H LEU 25 H LEU 25 -7.883 -6.619 7.022 191 HA LEU 25 HA LEU 25 -9.579 -7.626 4.910 192 1HB LEU 25 2HB LEU 25 -10.186 -6.656 7.695 193 2HB LEU 25 1HB LEU 25 -11.404 -7.244 6.589 194 HG LEU 25 HG LEU 25 -9.119 -8.859 7.693 195 1HD1 LEU 25 1HD1 LEU 25 -10.792 -8.287 9.399 196 2HD1 LEU 25 2HD1 LEU 25 -10.888 -9.999 8.978 197 3HD1 LEU 25 3HD1 LEU 25 -12.074 -8.866 8.337 198 1HD2 LEU 25 1HD2 LEU 25 -10.344 -10.749 6.737 199 2HD2 LEU 25 2HD2 LEU 25 -9.783 -9.624 5.507 200 3HD2 LEU 25 3HD2 LEU 25 -11.482 -9.621 5.998 201 H PHE 26 H PHE 26 -10.601 -6.394 3.513 202 HA PHE 26 HA PHE 26 -11.255 -3.663 4.259 203 1HB PHE 26 2HB PHE 26 -10.028 -4.540 1.621 204 2HB PHE 26 1HB PHE 26 -10.786 -2.979 1.870 205 HD1 PHE 26 1HD PHE 26 -9.734 -1.359 3.499 206 HD2 PHE 26 2HD PHE 26 -7.729 -4.931 2.261 207 HE1 PHE 26 1HE PHE 26 -7.577 -0.422 4.220 208 HE2 PHE 26 2HE PHE 26 -5.620 -3.997 2.978 209 HZ PHE 26 HZ PHE 26 -5.500 -1.760 3.945 210 H SER 27 H SER 27 -12.993 -2.829 2.695 211 HA SER 27 HA SER 27 -14.866 -5.022 2.500 212 1HB SER 27 2HB SER 27 -16.592 -3.288 2.189 213 2HB SER 27 1HB SER 27 -15.627 -2.936 3.610 214 HG SER 27 HG SER 27 -14.366 -1.515 2.099 215 HA PRO 28 HA PRO 28 -14.406 -5.472 -1.861 216 1HB PRO 28 2HB PRO 28 -17.024 -5.878 -2.628 217 2HB PRO 28 1HB PRO 28 -16.002 -7.089 -1.820 218 1HG PRO 28 2HG PRO 28 -17.962 -5.199 -0.559 219 2HG PRO 28 1HG PRO 28 -17.850 -6.956 -0.362 220 1HD PRO 28 2HD PRO 28 -16.759 -5.407 1.467 221 2HD PRO 28 1HD PRO 28 -15.836 -6.804 0.837 222 H ASN 29 H ASN 29 -16.158 -2.950 -0.438 223 HA ASN 29 HA ASN 29 -16.785 -1.523 -2.896 224 1HB ASN 29 2HB ASN 29 -17.263 -0.805 -0.003 225 2HB ASN 29 1HB ASN 29 -17.825 0.129 -1.384 226 1HD2 ASN 29 1HD2 ASN 29 -19.536 -0.661 -2.608 227 2HD2 ASN 29 2HD2 ASN 29 -20.533 -1.947 -2.052 228 H ASP 30 H ASP 30 -14.173 -1.818 -0.761 229 HA ASP 30 HA ASP 30 -13.268 0.874 -0.878 230 1HB ASP 30 2HB ASP 30 -11.889 -1.678 -0.052 231 2HB ASP 30 1HB ASP 30 -10.989 -0.177 -0.224 232 H SER 31 H SER 31 -11.413 1.647 -1.935 233 HA SER 31 HA SER 31 -11.305 0.654 -4.660 234 1HB SER 31 2HB SER 31 -10.316 3.212 -3.407 235 2HB SER 31 1HB SER 31 -10.286 2.838 -5.131 236 HG SER 31 HG SER 31 -12.317 3.209 -5.276 237 H ALA 32 H ALA 32 -9.661 -0.555 -5.279 238 HA ALA 32 HA ALA 32 -7.573 -1.591 -3.767 239 1HB ALA 32 1HB ALA 32 -6.609 -2.274 -5.895 240 2HB ALA 32 2HB ALA 32 -7.647 -1.094 -6.721 241 3HB ALA 32 3HB ALA 32 -8.369 -2.473 -5.904 242 H SER 33 H SER 33 -7.378 1.324 -5.875 243 HA SER 33 HA SER 33 -4.598 1.633 -5.417 244 1HB SER 33 2HB SER 33 -5.149 3.940 -6.412 245 2HB SER 33 1HB SER 33 -5.315 2.534 -7.467 246 HG SER 33 HG SER 33 -7.096 3.867 -7.597 247 H ASP 34 H ASP 34 -7.484 2.927 -3.955 248 HA ASP 34 HA ASP 34 -6.313 4.897 -2.264 249 1HB ASP 34 2HB ASP 34 -8.741 4.794 -2.613 250 2HB ASP 34 1HB ASP 34 -8.787 3.175 -1.932 251 H ILE 35 H ILE 35 -7.178 1.543 -1.867 252 HA ILE 35 HA ILE 35 -6.215 1.106 0.722 253 HB ILE 35 HB ILE 35 -6.343 -0.839 -1.585 254 1HG1 ILE 35 2HG1 ILE 35 -8.343 -0.300 0.607 255 2HG1 ILE 35 1HG1 ILE 35 -8.523 0.182 -1.083 256 1HG2 ILE 35 1HG2 ILE 35 -6.375 -2.537 0.138 257 2HG2 ILE 35 2HG2 ILE 35 -6.259 -1.286 1.371 258 3HG2 ILE 35 3HG2 ILE 35 -4.916 -1.542 0.258 259 1HD1 ILE 35 1HD1 ILE 35 -8.474 -2.149 -1.742 260 2HD1 ILE 35 2HD1 ILE 35 -9.779 -1.854 -0.580 261 3HD1 ILE 35 3HD1 ILE 35 -8.275 -2.624 -0.064 262 H ALA 36 H ALA 36 -4.601 0.638 -2.418 263 HA ALA 36 HA ALA 36 -2.157 -0.312 -1.666 264 1HB ALA 36 1HB ALA 36 -1.273 0.716 -3.666 265 2HB ALA 36 2HB ALA 36 -2.652 1.809 -3.732 266 3HB ALA 36 3HB ALA 36 -2.894 0.088 -3.989 267 H LYS 37 H LYS 37 -3.162 3.083 -1.753 268 HA LYS 37 HA LYS 37 -0.628 4.045 -0.861 269 1HB LYS 37 2HB LYS 37 -2.537 5.225 -2.241 270 2HB LYS 37 1HB LYS 37 -3.220 5.574 -0.670 271 1HG LYS 37 2HG LYS 37 -0.452 6.409 -1.527 272 2HG LYS 37 1HG LYS 37 -1.901 7.390 -1.700 273 1HD LYS 37 2HD LYS 37 -2.166 7.514 0.690 274 2HD LYS 37 1HD LYS 37 -0.847 6.362 0.939 275 1HE LYS 37 2HE LYS 37 0.770 7.894 0.118 276 2HE LYS 37 1HE LYS 37 -0.475 8.976 -0.497 277 1HZ LYS 37 1HZ LYS 37 0.547 9.781 1.539 278 2HZ LYS 37 2HZ LYS 37 -0.164 8.510 2.467 279 3HZ LYS 37 3HZ LYS 37 -1.076 9.600 1.562 280 H HIS 38 H HIS 38 -3.628 3.121 0.577 281 HA HIS 38 HA HIS 38 -3.313 4.132 3.206 282 1HB HIS 38 2HB HIS 38 -5.457 3.392 2.138 283 2HB HIS 38 1HB HIS 38 -4.890 1.738 2.237 284 HD1 HIS 38 1HD HIS 38 -7.134 3.900 3.825 285 HD2 HIS 38 2HD HIS 38 -4.370 1.130 5.172 286 HE1 HIS 38 1HE HIS 38 -7.849 3.350 6.140 287 HE2 HIS 38 2HE HIS 38 -5.886 2.120 7.040 288 H VAL 39 H VAL 39 -2.788 0.862 1.876 289 HA VAL 39 HA VAL 39 -1.693 -0.284 4.221 290 HB VAL 39 HB VAL 39 -0.942 -2.136 2.775 291 1HG1 VAL 39 1HG1 VAL 39 -3.217 -2.829 2.114 292 2HG1 VAL 39 2HG1 VAL 39 -3.780 -1.182 2.322 293 3HG1 VAL 39 3HG1 VAL 39 -3.211 -2.093 3.710 294 1HG2 VAL 39 1HG2 VAL 39 -0.420 -0.806 0.785 295 2HG2 VAL 39 2HG2 VAL 39 -2.157 -0.462 0.631 296 3HG2 VAL 39 3HG2 VAL 39 -1.574 -2.103 0.426 297 H TYR 40 H TYR 40 -0.325 1.459 1.578 298 HA TYR 40 HA TYR 40 2.360 0.998 1.754 299 1HB TYR 40 2HB TYR 40 1.562 2.514 0.086 300 2HB TYR 40 1HB TYR 40 0.869 3.580 1.293 301 HD1 TYR 40 1HD TYR 40 2.119 5.355 2.190 302 HD2 TYR 40 2HD TYR 40 4.102 2.364 -0.084 303 HE1 TYR 40 1HE TYR 40 4.156 6.710 2.203 304 HE2 TYR 40 2HE TYR 40 6.149 3.714 -0.083 305 HH TYR 40 HH TYR 40 6.502 6.319 2.024 306 H ASP 41 H ASP 41 0.499 3.187 3.856 307 HA ASP 41 HA ASP 41 2.232 2.769 6.063 308 1HB ASP 41 2HB ASP 41 3.793 4.128 4.738 309 2HB ASP 41 1HB ASP 41 2.593 5.415 4.645 310 H ASN 42 H ASN 42 0.220 5.174 4.485 311 HA ASN 42 HA ASN 42 -1.403 5.486 6.873 312 1HB ASN 42 2HB ASN 42 -1.264 7.981 6.601 313 2HB ASN 42 1HB ASN 42 0.222 7.226 7.168 314 1HD2 ASN 42 1HD2 ASN 42 2.025 7.177 5.825 315 2HD2 ASN 42 2HD2 ASN 42 2.146 8.146 4.403 316 H TRP 43 H TRP 43 -3.448 6.387 6.412 317 HA TRP 43 HA TRP 43 -4.475 5.572 3.926 318 1HB TRP 43 2HB TRP 43 -6.622 6.548 4.694 319 2HB TRP 43 1HB TRP 43 -5.894 5.510 5.905 320 HD1 TRP 43 HD TRP 43 -6.926 9.105 5.250 321 HE1 TRP 43 1HE TRP 43 -6.768 10.454 7.421 322 HE3 TRP 43 3HE TRP 43 -4.556 5.637 8.164 323 HZ2 TRP 43 2HZ TRP 43 -5.769 10.092 10.050 324 HZ3 TRP 43 3HZ TRP 43 -4.035 6.217 10.500 325 HH2 TRP 43 HH TRP 43 -4.628 8.396 11.421 326 HA PRO 44 HA PRO 44 -3.588 9.012 1.374 327 1HB PRO 44 2HB PRO 44 -5.843 8.803 -0.272 328 2HB PRO 44 1HB PRO 44 -4.281 8.029 -0.540 329 1HG PRO 44 2HG PRO 44 -6.779 6.903 0.599 330 2HG PRO 44 1HG PRO 44 -5.509 6.109 -0.339 331 1HD PRO 44 2HD PRO 44 -5.793 5.761 2.311 332 2HD PRO 44 1HD PRO 44 -4.223 5.710 1.502 333 H MET 45 H MET 45 -3.763 10.673 2.543 334 HA MET 45 HA MET 45 -6.333 12.127 2.853 335 1HB MET 45 2HB MET 45 -5.196 13.344 4.680 336 2HB MET 45 1HB MET 45 -5.133 11.613 4.979 337 1HG MET 45 2HG MET 45 -2.814 11.582 4.110 338 2HG MET 45 1HG MET 45 -2.891 13.325 3.900 339 1HE MET 45 1HE MET 45 -2.831 10.349 6.443 340 2HE MET 45 2HE MET 45 -4.352 11.126 6.879 341 3HE MET 45 3HE MET 45 -2.986 11.170 7.991 342 H ASP 46 H ASP 46 -4.048 11.646 0.915 343 HA ASP 46 HA ASP 46 -2.596 14.018 0.430 344 1HB ASP 46 2HB ASP 46 -3.087 11.613 -1.292 345 2HB ASP 46 1HB ASP 46 -1.755 12.750 -1.449 346 H TRP 47 H TRP 47 -2.637 14.935 -1.771 347 HA TRP 47 HA TRP 47 -5.401 15.560 -2.477 348 1HB TRP 47 2HB TRP 47 -2.831 16.959 -3.225 349 2HB TRP 47 1HB TRP 47 -4.461 17.533 -3.580 350 HD1 TRP 47 HD TRP 47 -1.928 17.251 -0.744 351 HE1 TRP 47 1HE TRP 47 -2.748 18.644 1.251 352 HE3 TRP 47 3HE TRP 47 -6.610 18.421 -2.431 353 HZ2 TRP 47 2HZ TRP 47 -5.060 20.052 2.016 354 HZ3 TRP 47 3HZ TRP 47 -8.061 19.802 -0.998 355 HH2 TRP 47 HH TRP 47 -7.299 20.597 1.178 356 H GLU 48 H GLU 48 -3.278 13.290 -3.432 357 HA GLU 48 HA GLU 48 -2.872 12.057 -5.308 358 1HB GLU 48 2HB GLU 48 -5.412 12.106 -5.358 359 2HB GLU 48 1HB GLU 48 -5.319 13.504 -6.404 360 1HG GLU 48 2HG GLU 48 -4.257 12.142 -8.131 361 2HG GLU 48 1HG GLU 48 -4.326 10.737 -7.065 362 H GLU 49 H GLU 49 -1.889 14.771 -4.908 363 HA GLU 49 HA GLU 49 -1.103 15.506 -7.633 364 1HB GLU 49 2HB GLU 49 -2.651 17.160 -6.721 365 2HB GLU 49 1HB GLU 49 -1.671 17.305 -5.275 366 1HG GLU 49 2HG GLU 49 0.178 18.187 -6.657 367 2HG GLU 49 1HG GLU 49 -0.873 18.100 -8.067 368 H GLU 50 H GLU 50 0.976 15.354 -7.909 369 HA GLU 50 HA GLU 50 2.816 16.152 -5.855 370 1HB GLU 50 2HB GLU 50 2.738 13.725 -5.551 371 2HB GLU 50 1HB GLU 50 2.911 13.464 -7.276 372 1HG GLU 50 2HG GLU 50 4.960 13.024 -5.958 373 2HG GLU 50 1HG GLU 50 5.183 14.225 -7.234 374 H GLN 51 H GLN 51 3.881 17.672 -6.779 375 HA GLN 51 HA GLN 51 4.925 19.009 -8.256 376 1HB GLN 51 2HB GLN 51 4.702 16.737 -10.277 377 2HB GLN 51 1HB GLN 51 5.686 18.181 -10.471 378 1HG GLN 51 2HG GLN 51 7.081 17.501 -8.603 379 2HG GLN 51 1HG GLN 51 6.067 16.083 -8.344 380 1HE2 GLN 51 1HE2 GLN 51 8.853 16.220 -8.872 381 2HE2 GLN 51 2HE2 GLN 51 9.164 15.323 -10.323 382 H VAL 52 H VAL 52 2.400 17.124 -9.768 383 HA VAL 52 HA VAL 52 0.707 19.404 -10.091 384 HB VAL 52 HB VAL 52 2.080 19.451 -12.179 385 1HG1 VAL 52 1HG1 VAL 52 1.039 16.684 -12.636 386 2HG1 VAL 52 2HG1 VAL 52 2.706 17.170 -12.339 387 3HG1 VAL 52 3HG1 VAL 52 1.900 17.655 -13.833 388 1HG2 VAL 52 1HG2 VAL 52 -0.778 18.604 -12.663 389 2HG2 VAL 52 2HG2 VAL 52 0.254 19.419 -13.837 390 3HG2 VAL 52 3HG2 VAL 52 -0.208 20.245 -12.351 391 H SER 53 H SER 53 -1.539 18.614 -10.641 392 HA SER 53 HA SER 53 -2.347 16.401 -9.196 393 1HB SER 53 2HB SER 53 -3.714 17.630 -11.600 394 2HB SER 53 1HB SER 53 -4.493 16.736 -10.294 395 HG SER 53 HG SER 53 -3.938 18.387 -8.866 396 H SER 54 H SER 54 -1.681 14.310 -9.598 397 HA SER 54 HA SER 54 -1.793 13.371 -12.359 398 1HB SER 54 2HB SER 54 0.558 12.921 -10.507 399 2HB SER 54 1HB SER 54 0.389 12.321 -12.158 400 HG SER 54 HG SER 54 0.462 15.019 -11.333 401 HA PRO 55 HA PRO 55 -3.776 10.304 -9.642 402 1HB PRO 55 2HB PRO 55 -5.601 9.468 -11.378 403 2HB PRO 55 1HB PRO 55 -5.783 10.997 -10.508 404 1HG PRO 55 2HG PRO 55 -4.903 10.523 -13.333 405 2HG PRO 55 1HG PRO 55 -5.959 11.794 -12.696 406 1HD PRO 55 2HD PRO 55 -3.297 12.127 -13.272 407 2HD PRO 55 1HD PRO 55 -4.194 13.118 -12.102 408 H ASN 56 H ASN 56 -2.207 10.021 -12.642 409 HA ASN 56 HA ASN 56 -2.594 7.232 -13.088 410 1HB ASN 56 2HB ASN 56 -0.884 7.404 -14.847 411 2HB ASN 56 1HB ASN 56 -2.061 8.702 -14.971 412 1HD2 ASN 56 1HD2 ASN 56 -1.386 10.836 -14.606 413 2HD2 ASN 56 2HD2 ASN 56 0.289 11.225 -14.467 414 H ILE 57 H ILE 57 -0.729 8.747 -10.753 415 HA ILE 57 HA ILE 57 1.364 6.835 -10.786 416 HB ILE 57 HB ILE 57 2.159 7.927 -8.724 417 1HG1 ILE 57 2HG1 ILE 57 0.954 10.174 -8.109 418 2HG1 ILE 57 1HG1 ILE 57 -0.443 9.440 -8.883 419 1HG2 ILE 57 1HG2 ILE 57 2.649 10.136 -9.657 420 2HG2 ILE 57 2HG2 ILE 57 1.433 9.856 -10.905 421 3HG2 ILE 57 3HG2 ILE 57 2.865 8.829 -10.822 422 1HD1 ILE 57 1HD1 ILE 57 1.042 8.382 -6.485 423 2HD1 ILE 57 2HD1 ILE 57 -0.236 7.547 -7.299 424 3HD1 ILE 57 3HD1 ILE 57 -0.576 9.095 -6.492 425 H LEU 58 H LEU 58 -1.830 6.844 -9.689 426 HA LEU 58 HA LEU 58 -1.331 4.546 -7.900 427 1HB LEU 58 2HB LEU 58 -3.737 6.375 -8.061 428 2HB LEU 58 1HB LEU 58 -3.652 4.915 -7.109 429 HG LEU 58 HG LEU 58 -2.029 7.422 -6.655 430 1HD1 LEU 58 1HD1 LEU 58 -4.311 6.231 -5.106 431 2HD1 LEU 58 2HD1 LEU 58 -4.357 7.704 -6.077 432 3HD1 LEU 58 3HD1 LEU 58 -3.355 7.632 -4.629 433 1HD2 LEU 58 1HD2 LEU 58 -1.287 6.315 -4.596 434 2HD2 LEU 58 2HD2 LEU 58 -0.770 5.419 -6.020 435 3HD2 LEU 58 3HD2 LEU 58 -2.145 4.848 -5.070 436 H ARG 59 H ARG 59 -1.364 2.808 -9.166 437 HA ARG 59 HA ARG 59 -3.819 2.348 -10.713 438 1HB ARG 59 2HB ARG 59 -1.049 1.619 -11.709 439 2HB ARG 59 1HB ARG 59 -2.574 1.377 -12.548 440 1HG ARG 59 2HG ARG 59 -1.324 4.063 -11.941 441 2HG ARG 59 1HG ARG 59 -1.231 3.215 -13.478 442 1HD ARG 59 2HD ARG 59 -3.803 4.104 -12.174 443 2HD ARG 59 1HD ARG 59 -2.930 5.041 -13.381 444 HE ARG 59 HE ARG 59 -3.425 2.467 -14.387 445 1HH1 ARG 59 1HH1 ARG 59 -5.167 5.435 -13.585 446 2HH1 ARG 59 2HH1 ARG 59 -6.377 5.209 -14.753 447 1HH2 ARG 59 1HH2 ARG 59 -5.099 2.155 -15.965 448 2HH2 ARG 59 2HH2 ARG 59 -6.358 3.300 -16.134 449 H LEU 60 H LEU 60 -4.482 0.127 -10.615 450 HA LEU 60 HA LEU 60 -2.801 -1.433 -8.895 451 1HB LEU 60 2HB LEU 60 -4.863 -2.760 -8.429 452 2HB LEU 60 1HB LEU 60 -4.672 -1.199 -7.693 453 HG LEU 60 HG LEU 60 -6.831 -1.814 -8.333 454 1HD1 LEU 60 1HD1 LEU 60 -7.542 0.361 -9.379 455 2HD1 LEU 60 2HD1 LEU 60 -5.837 0.695 -9.665 456 3HD1 LEU 60 3HD1 LEU 60 -6.435 0.516 -8.019 457 1HD2 LEU 60 1HD2 LEU 60 -7.629 -1.615 -10.715 458 2HD2 LEU 60 2HD2 LEU 60 -6.615 -3.013 -10.358 459 3HD2 LEU 60 3HD2 LEU 60 -5.929 -1.616 -11.181 460 H ILE 61 H ILE 61 -2.427 -3.566 -9.224 461 HA ILE 61 HA ILE 61 -2.954 -4.531 -11.930 462 HB ILE 61 HB ILE 61 -0.686 -5.078 -10.013 463 1HG1 ILE 61 2HG1 ILE 61 -0.673 -3.701 -12.700 464 2HG1 ILE 61 1HG1 ILE 61 -0.520 -2.912 -11.138 465 1HG2 ILE 61 1HG2 ILE 61 -1.169 -6.217 -12.777 466 2HG2 ILE 61 2HG2 ILE 61 -1.233 -7.107 -11.256 467 3HG2 ILE 61 3HG2 ILE 61 0.300 -6.452 -11.831 468 1HD1 ILE 61 1HD1 ILE 61 1.623 -3.111 -12.233 469 2HD1 ILE 61 2HD1 ILE 61 1.438 -4.864 -12.340 470 3HD1 ILE 61 3HD1 ILE 61 1.595 -4.084 -10.763 471 H TYR 62 H TYR 62 -4.463 -6.217 -11.814 472 HA TYR 62 HA TYR 62 -4.494 -7.698 -9.298 473 1HB TYR 62 2HB TYR 62 -6.716 -6.807 -9.942 474 2HB TYR 62 1HB TYR 62 -6.548 -7.543 -11.510 475 HD1 TYR 62 1HD TYR 62 -5.904 -9.226 -8.251 476 HD2 TYR 62 2HD TYR 62 -8.480 -8.787 -11.601 477 HE1 TYR 62 1HE TYR 62 -7.228 -11.137 -7.480 478 HE2 TYR 62 2HE TYR 62 -9.816 -10.699 -10.855 479 HH TYR 62 HH TYR 62 -9.576 -12.591 -9.530 480 H GLN 63 H GLN 63 -2.821 -8.912 -9.447 481 HA GLN 63 HA GLN 63 -1.567 -10.505 -9.799 482 1HB GLN 63 2HB GLN 63 -3.592 -11.875 -9.998 483 2HB GLN 63 1HB GLN 63 -3.561 -11.596 -11.744 484 1HG GLN 63 2HG GLN 63 -1.243 -12.240 -11.602 485 2HG GLN 63 1HG GLN 63 -1.553 -12.916 -10.045 486 1HE2 GLN 63 1HE2 GLN 63 -1.313 -15.157 -10.652 487 2HE2 GLN 63 2HE2 GLN 63 -2.494 -15.959 -11.629 488 H GLY 64 H GLY 64 -2.883 -9.980 -13.056 489 1HA GLY 64 2HA GLY 64 -0.073 -9.953 -13.904 490 2HA GLY 64 1HA GLY 64 -1.415 -10.429 -14.917 491 H ARG 65 H ARG 65 -3.109 -8.189 -14.539 492 HA ARG 65 HA ARG 65 -1.371 -6.151 -15.741 493 1HB ARG 65 2HB ARG 65 -3.012 -5.697 -17.533 494 2HB ARG 65 1HB ARG 65 -2.393 -7.332 -17.598 495 1HG ARG 65 2HG ARG 65 -4.685 -7.509 -18.116 496 2HG ARG 65 1HG ARG 65 -4.571 -8.024 -16.438 497 1HD ARG 65 2HD ARG 65 -5.294 -5.773 -15.726 498 2HD ARG 65 1HD ARG 65 -5.432 -5.298 -17.415 499 HE ARG 65 HE ARG 65 -6.975 -7.599 -16.556 500 1HH1 ARG 65 1HH1 ARG 65 -7.001 -4.128 -17.362 501 2HH1 ARG 65 2HH1 ARG 65 -8.687 -4.025 -17.502 502 1HH2 ARG 65 1HH2 ARG 65 -9.319 -7.440 -16.713 503 2HH2 ARG 65 2HH2 ARG 65 -10.047 -5.959 -17.100 504 H PHE 66 H PHE 66 -2.558 -3.994 -16.125 505 HA PHE 66 HA PHE 66 -3.540 -3.126 -13.547 506 1HB PHE 66 2HB PHE 66 -3.140 -1.642 -16.125 507 2HB PHE 66 1HB PHE 66 -3.446 -0.878 -14.573 508 HD1 PHE 66 1HD PHE 66 -1.650 -0.678 -12.955 509 HD2 PHE 66 2HD PHE 66 -0.989 -2.534 -16.723 510 HE1 PHE 66 1HE PHE 66 0.774 -0.482 -12.634 511 HE2 PHE 66 2HE PHE 66 1.435 -2.348 -16.399 512 HZ PHE 66 HZ PHE 66 2.323 -1.316 -14.352 513 H LEU 67 H LEU 67 -5.633 -3.183 -13.138 514 HA LEU 67 HA LEU 67 -7.534 -3.506 -15.289 515 1HB LEU 67 2HB LEU 67 -7.949 -3.526 -12.328 516 2HB LEU 67 1HB LEU 67 -9.281 -3.572 -13.464 517 HG LEU 67 HG LEU 67 -8.249 -5.699 -14.413 518 1HD1 LEU 67 1HD1 LEU 67 -6.685 -6.888 -13.246 519 2HD1 LEU 67 2HD1 LEU 67 -6.532 -5.596 -12.040 520 3HD1 LEU 67 3HD1 LEU 67 -6.027 -5.317 -13.703 521 1HD2 LEU 67 1HD2 LEU 67 -9.071 -7.106 -12.618 522 2HD2 LEU 67 2HD2 LEU 67 -10.155 -5.743 -12.859 523 3HD2 LEU 67 3HD2 LEU 67 -9.048 -5.747 -11.501 524 H HIS 68 H HIS 68 -6.885 -0.970 -12.935 525 HA HIS 68 HA HIS 68 -8.140 0.977 -14.586 526 1HB HIS 68 2HB HIS 68 -10.027 -0.496 -13.421 527 2HB HIS 68 1HB HIS 68 -9.566 0.416 -11.996 528 HD1 HIS 68 1HD HIS 68 -11.297 2.233 -11.616 529 HD2 HIS 68 2HD HIS 68 -10.533 1.533 -15.643 530 HE1 HIS 68 1HE HIS 68 -12.698 3.835 -12.840 531 HE2 HIS 68 2HE HIS 68 -12.479 3.155 -15.246 532 H GLY 69 H GLY 69 -8.167 3.095 -13.197 533 1HA GLY 69 2HA GLY 69 -5.818 3.165 -11.508 534 2HA GLY 69 1HA GLY 69 -6.797 4.536 -12.018 535 H ASN 70 H ASN 70 -8.855 2.288 -10.975 536 HA ASN 70 HA ASN 70 -8.879 2.428 -8.191 537 1HB ASN 70 2HB ASN 70 -9.292 4.876 -8.546 538 2HB ASN 70 1HB ASN 70 -10.671 4.488 -9.558 539 1HD2 ASN 70 1HD2 ASN 70 -10.541 6.096 -7.148 540 2HD2 ASN 70 2HD2 ASN 70 -11.638 5.420 -6.019 541 H VAL 71 H VAL 71 -9.346 0.256 -8.900 542 HA VAL 71 HA VAL 71 -12.134 -0.091 -9.738 543 HB VAL 71 HB VAL 71 -10.135 -1.226 -10.980 544 1HG1 VAL 71 1HG1 VAL 71 -9.421 -3.370 -10.200 545 2HG1 VAL 71 2HG1 VAL 71 -10.279 -3.108 -8.680 546 3HG1 VAL 71 3HG1 VAL 71 -8.929 -2.059 -9.123 547 1HG2 VAL 71 1HG2 VAL 71 -11.433 -3.244 -11.498 548 2HG2 VAL 71 2HG2 VAL 71 -12.378 -1.765 -11.549 549 3HG2 VAL 71 3HG2 VAL 71 -12.533 -2.860 -10.164 550 H THR 72 H THR 72 -13.488 -1.541 -8.398 551 HA THR 72 HA THR 72 -12.557 -1.585 -5.674 552 HB THR 72 HB THR 72 -14.879 -2.412 -5.230 553 HG1 THR 72 1HG THR 72 -16.320 -1.827 -7.112 554 1HG2 THR 72 1HG2 THR 72 -14.296 -0.038 -4.969 555 2HG2 THR 72 2HG2 THR 72 -15.945 -0.209 -5.559 556 3HG2 THR 72 3HG2 THR 72 -14.656 0.241 -6.673 557 H LEU 73 H LEU 73 -12.799 -3.568 -4.383 558 HA LEU 73 HA LEU 73 -11.598 -5.746 -5.708 559 1HB LEU 73 2HB LEU 73 -12.845 -5.610 -2.977 560 2HB LEU 73 1HB LEU 73 -11.786 -6.879 -3.538 561 HG LEU 73 HG LEU 73 -10.441 -5.625 -2.225 562 1HD1 LEU 73 1HD1 LEU 73 -8.822 -4.454 -3.632 563 2HD1 LEU 73 2HD1 LEU 73 -9.965 -4.544 -4.969 564 3HD1 LEU 73 3HD1 LEU 73 -9.315 -6.025 -4.261 565 1HD2 LEU 73 1HD2 LEU 73 -11.544 -3.067 -3.378 566 2HD2 LEU 73 2HD2 LEU 73 -10.276 -3.196 -2.169 567 3HD2 LEU 73 3HD2 LEU 73 -11.905 -3.749 -1.792 568 H GLY 74 H GLY 74 -14.892 -4.954 -4.815 569 1HA GLY 74 2HA GLY 74 -16.065 -7.486 -5.233 570 2HA GLY 74 1HA GLY 74 -16.895 -5.939 -5.403 571 H ALA 75 H ALA 75 -15.155 -4.912 -7.439 572 HA ALA 75 HA ALA 75 -16.410 -5.964 -9.752 573 1HB ALA 75 1HB ALA 75 -14.110 -4.023 -9.527 574 2HB ALA 75 2HB ALA 75 -15.818 -3.591 -9.537 575 3HB ALA 75 3HB ALA 75 -15.079 -4.307 -10.971 576 H LEU 76 H LEU 76 -13.620 -6.866 -8.041 577 HA LEU 76 HA LEU 76 -12.175 -8.025 -10.269 578 1HB LEU 76 2HB LEU 76 -11.816 -8.393 -7.311 579 2HB LEU 76 1HB LEU 76 -10.663 -8.816 -8.562 580 HG LEU 76 HG LEU 76 -11.494 -6.028 -7.750 581 1HD1 LEU 76 1HD1 LEU 76 -10.131 -7.178 -6.143 582 2HD1 LEU 76 2HD1 LEU 76 -9.234 -5.885 -6.945 583 3HD1 LEU 76 3HD1 LEU 76 -8.955 -7.570 -7.395 584 1HD2 LEU 76 1HD2 LEU 76 -10.990 -6.160 -10.126 585 2HD2 LEU 76 2HD2 LEU 76 -9.473 -6.980 -9.749 586 3HD2 LEU 76 3HD2 LEU 76 -9.724 -5.308 -9.240 587 H LYS 77 H LYS 77 -14.899 -8.807 -8.660 588 HA LYS 77 HA LYS 77 -16.174 -10.601 -8.285 589 1HB LYS 77 2HB LYS 77 -14.342 -12.150 -10.174 590 2HB LYS 77 1HB LYS 77 -15.927 -12.661 -9.642 591 1HG LYS 77 2HG LYS 77 -16.155 -11.895 -11.894 592 2HG LYS 77 1HG LYS 77 -16.864 -10.652 -10.869 593 1HD LYS 77 2HD LYS 77 -14.816 -9.343 -11.027 594 2HD LYS 77 1HD LYS 77 -14.066 -10.585 -12.001 595 1HE LYS 77 2HE LYS 77 -15.725 -10.212 -13.756 596 2HE LYS 77 1HE LYS 77 -16.515 -8.988 -12.758 597 1HZ LYS 77 1HZ LYS 77 -15.016 -7.965 -14.383 598 2HZ LYS 77 2HZ LYS 77 -13.717 -8.849 -13.756 599 3HZ LYS 77 3HZ LYS 77 -14.474 -7.694 -12.807 600 H LEU 78 H LEU 78 -15.355 -10.409 -6.162 601 HA LEU 78 HA LEU 78 -13.656 -12.676 -5.424 602 1HB LEU 78 2HB LEU 78 -13.688 -9.949 -4.171 603 2HB LEU 78 1HB LEU 78 -12.755 -11.315 -3.612 604 HG LEU 78 HG LEU 78 -12.411 -9.903 -6.238 605 1HD1 LEU 78 1HD1 LEU 78 -11.684 -8.588 -4.355 606 2HD1 LEU 78 2HD1 LEU 78 -10.289 -9.148 -5.276 607 3HD1 LEU 78 3HD1 LEU 78 -10.713 -9.924 -3.744 608 1HD2 LEU 78 1HD2 LEU 78 -10.397 -11.279 -6.476 609 2HD2 LEU 78 2HD2 LEU 78 -11.860 -12.252 -6.441 610 3HD2 LEU 78 3HD2 LEU 78 -10.831 -12.156 -5.009 611 HA PRO 79 HA PRO 79 -17.188 -13.465 -2.736 612 1HB PRO 79 2HB PRO 79 -15.584 -15.845 -2.063 613 2HB PRO 79 1HB PRO 79 -17.215 -15.765 -2.736 614 1HG PRO 79 2HG PRO 79 -15.138 -16.607 -4.212 615 2HG PRO 79 1HG PRO 79 -16.454 -15.651 -4.913 616 1HD PRO 79 2HD PRO 79 -13.725 -14.750 -4.054 617 2HD PRO 79 1HD PRO 79 -14.659 -14.356 -5.519 618 H PHE 80 H PHE 80 -17.345 -13.475 -0.457 619 HA PHE 80 HA PHE 80 -15.234 -12.026 0.865 620 1HB PHE 80 2HB PHE 80 -17.698 -13.234 2.128 621 2HB PHE 80 1HB PHE 80 -16.719 -11.914 2.746 622 HD1 PHE 80 1HD PHE 80 -19.738 -12.219 2.145 623 HD2 PHE 80 2HD PHE 80 -16.524 -10.385 0.113 624 HE1 PHE 80 1HE PHE 80 -21.322 -10.673 1.065 625 HE2 PHE 80 2HE PHE 80 -18.081 -8.818 -0.979 626 HZ PHE 80 HZ PHE 80 -20.491 -8.962 -0.495 627 H GLY 81 H GLY 81 -14.045 -12.804 2.636 628 1HA GLY 81 2HA GLY 81 -13.364 -14.435 4.194 629 2HA GLY 81 1HA GLY 81 -14.380 -15.603 3.385 630 H LYS 82 H LYS 82 -12.914 -14.330 0.874 631 HA LYS 82 HA LYS 82 -10.872 -16.382 1.003 632 1HB LYS 82 2HB LYS 82 -12.105 -15.048 -1.373 633 2HB LYS 82 1HB LYS 82 -10.836 -16.266 -1.448 634 1HG LYS 82 2HG LYS 82 -12.332 -17.834 -0.259 635 2HG LYS 82 1HG LYS 82 -13.604 -16.608 -0.342 636 1HD LYS 82 2HD LYS 82 -13.423 -16.578 -2.700 637 2HD LYS 82 1HD LYS 82 -12.188 -17.834 -2.684 638 1HE LYS 82 2HE LYS 82 -15.033 -18.133 -1.682 639 2HE LYS 82 1HE LYS 82 -14.397 -18.816 -3.173 640 1HZ LYS 82 1HZ LYS 82 -12.861 -20.155 -1.817 641 2HZ LYS 82 2HZ LYS 82 -14.477 -20.466 -1.460 642 3HZ LYS 82 3HZ LYS 82 -13.565 -19.535 -0.405 643 H THR 83 H THR 83 -8.773 -16.004 0.629 644 HA THR 83 HA THR 83 -7.828 -13.341 1.013 645 HB THR 83 HB THR 83 -6.307 -15.906 0.512 646 HG1 THR 83 1HG THR 83 -6.545 -16.334 2.541 647 1HG2 THR 83 1HG2 THR 83 -4.975 -13.860 0.213 648 2HG2 THR 83 2HG2 THR 83 -4.477 -14.729 1.666 649 3HG2 THR 83 3HG2 THR 83 -5.491 -13.291 1.801 650 H THR 84 H THR 84 -7.547 -12.018 -0.594 651 HA THR 84 HA THR 84 -6.820 -13.102 -3.229 652 HB THR 84 HB THR 84 -8.205 -10.491 -2.589 653 HG1 THR 84 1HG THR 84 -9.651 -12.083 -2.163 654 1HG2 THR 84 1HG2 THR 84 -7.754 -11.963 -5.203 655 2HG2 THR 84 2HG2 THR 84 -6.916 -10.499 -4.699 656 3HG2 THR 84 3HG2 THR 84 -8.651 -10.458 -5.014 657 H VAL 85 H VAL 85 -4.865 -12.487 -3.977 658 HA VAL 85 HA VAL 85 -3.484 -10.340 -2.549 659 HB VAL 85 HB VAL 85 -2.328 -12.500 -2.467 660 1HG1 VAL 85 1HG1 VAL 85 -3.178 -13.525 -4.488 661 2HG1 VAL 85 2HG1 VAL 85 -1.416 -13.559 -4.478 662 3HG1 VAL 85 3HG1 VAL 85 -2.270 -12.373 -5.468 663 1HG2 VAL 85 1HG2 VAL 85 -0.139 -11.838 -3.332 664 2HG2 VAL 85 2HG2 VAL 85 -0.944 -10.495 -2.517 665 3HG2 VAL 85 3HG2 VAL 85 -0.902 -10.566 -4.281 666 H MET 86 H MET 86 -2.618 -8.587 -3.655 667 HA MET 86 HA MET 86 -2.999 -8.483 -6.547 668 1HB MET 86 2HB MET 86 -4.032 -6.392 -4.636 669 2HB MET 86 1HB MET 86 -3.881 -6.173 -6.370 670 1HG MET 86 2HG MET 86 -5.451 -7.972 -6.740 671 2HG MET 86 1HG MET 86 -5.628 -8.208 -5.006 672 1HE MET 86 1HE MET 86 -6.333 -5.989 -8.074 673 2HE MET 86 2HE MET 86 -5.348 -4.846 -7.145 674 3HE MET 86 3HE MET 86 -7.075 -4.550 -7.389 675 H HIS 87 H HIS 87 -1.780 -6.889 -7.585 676 HA HIS 87 HA HIS 87 0.546 -6.061 -6.015 677 1HB HIS 87 2HB HIS 87 0.323 -6.422 -9.030 678 2HB HIS 87 1HB HIS 87 1.701 -5.839 -8.063 679 HD1 HIS 87 1HD HIS 87 3.243 -7.540 -7.013 680 HD2 HIS 87 2HD HIS 87 -0.081 -9.397 -8.761 681 HE1 HIS 87 1HE HIS 87 3.697 -9.991 -6.987 682 HE2 HIS 87 2HE HIS 87 1.851 -10.960 -8.365 683 H LEU 88 H LEU 88 0.886 -3.895 -5.801 684 HA LEU 88 HA LEU 88 -0.926 -2.160 -7.330 685 1HB LEU 88 2HB LEU 88 -0.031 -1.845 -4.467 686 2HB LEU 88 1HB LEU 88 -0.994 -0.698 -5.364 687 HG LEU 88 HG LEU 88 -2.408 -1.850 -3.847 688 1HD1 LEU 88 1HD1 LEU 88 -3.420 -1.334 -5.929 689 2HD1 LEU 88 2HD1 LEU 88 -4.078 -2.838 -5.282 690 3HD1 LEU 88 3HD1 LEU 88 -2.909 -2.882 -6.605 691 1HD2 LEU 88 1HD2 LEU 88 -1.117 -3.839 -3.418 692 2HD2 LEU 88 2HD2 LEU 88 -1.406 -4.406 -5.060 693 3HD2 LEU 88 3HD2 LEU 88 -2.747 -4.300 -3.924 694 H VAL 89 H VAL 89 -0.046 -0.326 -8.188 695 HA VAL 89 HA VAL 89 2.743 0.100 -7.485 696 HB VAL 89 HB VAL 89 3.146 1.008 -9.729 697 1HG1 VAL 89 1HG1 VAL 89 3.565 -1.354 -9.424 698 2HG1 VAL 89 2HG1 VAL 89 2.937 -1.067 -11.052 699 3HG1 VAL 89 3HG1 VAL 89 1.884 -1.720 -9.802 700 1HG2 VAL 89 1HG2 VAL 89 1.527 0.879 -11.509 701 2HG2 VAL 89 2HG2 VAL 89 0.827 1.812 -10.174 702 3HG2 VAL 89 3HG2 VAL 89 0.359 0.126 -10.432 703 H ALA 90 H ALA 90 3.282 2.006 -6.755 704 HA ALA 90 HA ALA 90 1.520 4.258 -7.200 705 1HB ALA 90 1HB ALA 90 2.735 3.587 -4.500 706 2HB ALA 90 2HB ALA 90 1.029 3.409 -4.933 707 3HB ALA 90 3HB ALA 90 1.763 5.011 -4.918 708 H ARG 91 H ARG 91 2.621 6.199 -7.328 709 HA ARG 91 HA ARG 91 5.518 5.974 -7.400 710 1HB ARG 91 2HB ARG 91 3.755 6.830 -9.673 711 2HB ARG 91 1HB ARG 91 5.455 7.251 -9.578 712 1HG ARG 91 2HG ARG 91 6.005 4.823 -9.548 713 2HG ARG 91 1HG ARG 91 4.291 4.474 -9.756 714 1HD ARG 91 2HD ARG 91 5.922 6.147 -11.654 715 2HD ARG 91 1HD ARG 91 5.592 4.429 -11.868 716 HE ARG 91 HE ARG 91 3.296 4.942 -12.122 717 1HH1 ARG 91 1HH1 ARG 91 5.308 7.905 -12.045 718 2HH1 ARG 91 2HH1 ARG 91 4.253 8.782 -13.037 719 1HH2 ARG 91 1HH2 ARG 91 1.873 6.170 -13.427 720 2HH2 ARG 91 2HH2 ARG 91 2.221 7.788 -13.824 721 H GLU 92 H GLU 92 6.575 7.914 -7.257 722 HA GLU 92 HA GLU 92 6.939 9.836 -6.215 723 1HB GLU 92 2HB GLU 92 4.835 10.616 -8.240 724 2HB GLU 92 1HB GLU 92 5.744 11.800 -7.318 725 1HG GLU 92 2HG GLU 92 6.672 11.475 -9.572 726 2HG GLU 92 1HG GLU 92 7.824 11.048 -8.314 727 H THR 93 H THR 93 6.041 8.720 -4.402 728 HA THR 93 HA THR 93 3.468 9.265 -3.528 729 HB THR 93 HB THR 93 5.844 8.177 -1.998 730 HG1 THR 93 1HG THR 93 5.573 6.782 -3.584 731 1HG2 THR 93 1HG2 THR 93 3.939 8.854 -0.549 732 2HG2 THR 93 2HG2 THR 93 4.152 7.105 -0.581 733 3HG2 THR 93 3HG2 THR 93 2.865 7.848 -1.523 734 H LEU 94 H LEU 94 2.840 10.819 -2.120 735 HA LEU 94 HA LEU 94 4.424 13.128 -1.702 736 1HB LEU 94 2HB LEU 94 1.759 12.358 -0.498 737 2HB LEU 94 1HB LEU 94 2.532 13.889 -0.188 738 HG LEU 94 HG LEU 94 2.379 14.371 -2.659 739 1HD1 LEU 94 1HD1 LEU 94 0.578 11.963 -2.696 740 2HD1 LEU 94 2HD1 LEU 94 2.128 12.119 -3.515 741 3HD1 LEU 94 3HD1 LEU 94 0.766 13.132 -4.001 742 1HD2 LEU 94 1HD2 LEU 94 -0.019 14.936 -2.580 743 2HD2 LEU 94 2HD2 LEU 94 0.853 15.378 -1.118 744 3HD2 LEU 94 3HD2 LEU 94 -0.177 13.948 -1.124 745 HA PRO 95 HA PRO 95 6.663 12.503 2.057 746 1HB PRO 95 2HB PRO 95 5.289 14.956 3.060 747 2HB PRO 95 1HB PRO 95 7.010 14.558 3.059 748 1HG PRO 95 2HG PRO 95 6.086 16.258 1.262 749 2HG PRO 95 1HG PRO 95 7.251 15.010 0.783 750 1HD PRO 95 2HD PRO 95 4.302 15.121 0.341 751 2HD PRO 95 1HD PRO 95 5.592 14.555 -0.744 752 H GLU 96 H GLU 96 6.367 11.376 3.826 753 HA GLU 96 HA GLU 96 3.719 10.523 4.543 754 1HB GLU 96 2HB GLU 96 6.385 9.757 5.739 755 2HB GLU 96 1HB GLU 96 4.892 8.837 5.784 756 1HG GLU 96 2HG GLU 96 5.000 8.427 3.423 757 2HG GLU 96 1HG GLU 96 6.415 9.462 3.265 758 HA PRO 97 HA PRO 97 3.297 13.036 8.275 759 1HB PRO 97 2HB PRO 97 2.523 11.022 10.067 760 2HB PRO 97 1HB PRO 97 1.423 11.947 9.040 761 1HG PRO 97 2HG PRO 97 2.574 9.226 8.636 762 2HG PRO 97 1HG PRO 97 0.962 9.833 8.219 763 1HD PRO 97 2HD PRO 97 2.849 9.478 6.351 764 2HD PRO 97 1HD PRO 97 1.714 10.839 6.270 765 H ASN 98 H ASN 98 4.513 9.801 9.118 766 HA ASN 98 HA ASN 98 7.138 10.745 9.811 767 1HB ASN 98 2HB ASN 98 5.776 11.376 11.857 768 2HB ASN 98 1HB ASN 98 5.330 9.681 12.011 769 1HD2 ASN 98 1HD2 ASN 98 6.731 8.304 13.048 770 2HD2 ASN 98 2HD2 ASN 98 8.241 8.779 13.706 771 H SER 99 H SER 99 5.445 8.808 8.247 772 HA SER 99 HA SER 99 5.122 6.707 7.716 773 1HB SER 99 2HB SER 99 7.488 6.939 6.988 774 2HB SER 99 1HB SER 99 8.016 6.341 8.564 775 HG SER 99 HG SER 99 6.133 4.851 7.249 776 H GLN 100 H GLN 100 3.609 6.356 9.242 777 HA GLN 100 HA GLN 100 4.443 5.134 11.738 778 1HB GLN 100 2HB GLN 100 2.608 6.798 11.718 779 2HB GLN 100 1HB GLN 100 1.646 5.690 10.762 780 1HG GLN 100 2HG GLN 100 1.608 4.091 12.544 781 2HG GLN 100 1HG GLN 100 2.695 5.084 13.511 782 1HE2 GLN 100 1HE2 GLN 100 1.351 7.596 12.741 783 2HE2 GLN 100 2HE2 GLN 100 -0.131 7.591 13.613 784 H GLY 101 H GLY 101 2.505 4.277 8.886 785 1HA GLY 101 2HA GLY 101 2.012 2.268 7.928 786 2HA GLY 101 1HA GLY 101 3.403 1.603 8.767 787 H GLN 102 H GLN 102 1.054 3.040 10.715 788 HA GLN 102 HA GLN 102 -0.272 0.492 11.260 789 1HB GLN 102 2HB GLN 102 1.633 0.869 12.856 790 2HB GLN 102 1HB GLN 102 0.877 2.373 13.340 791 1HG GLN 102 2HG GLN 102 -1.095 1.077 14.096 792 2HG GLN 102 1HG GLN 102 -0.207 -0.399 13.726 793 1HE2 GLN 102 1HE2 GLN 102 -0.130 -1.117 15.818 794 2HE2 GLN 102 2HE2 GLN 102 0.790 -0.347 17.049 795 H ARG 103 H ARG 103 -2.431 0.853 11.949 796 HA ARG 103 HA ARG 103 -3.258 3.655 11.916 797 1HB ARG 103 2HB ARG 103 -5.559 2.890 11.680 798 2HB ARG 103 1HB ARG 103 -4.590 2.082 10.462 799 1HG ARG 103 2HG ARG 103 -4.613 0.036 11.722 800 2HG ARG 103 1HG ARG 103 -5.382 0.840 13.090 801 1HD ARG 103 2HD ARG 103 -7.040 -0.432 11.874 802 2HD ARG 103 1HD ARG 103 -7.355 1.285 11.671 803 HE ARG 103 HE ARG 103 -5.759 0.090 9.611 804 1HH1 ARG 103 1HH1 ARG 103 -9.024 0.990 10.626 805 2HH1 ARG 103 2HH1 ARG 103 -9.724 0.786 9.100 806 1HH2 ARG 103 1HH2 ARG 103 -6.732 -0.192 7.495 807 2HH2 ARG 103 2HH2 ARG 103 -8.397 0.115 7.279 808 H ASN 104 H ASN 104 -3.926 4.585 13.807 809 HA ASN 104 HA ASN 104 -4.386 2.753 16.017 810 1HB ASN 104 2HB ASN 104 -2.073 3.727 16.191 811 2HB ASN 104 1HB ASN 104 -2.810 5.322 16.320 812 1HD2 ASN 104 1HD2 ASN 104 -2.231 2.300 17.908 813 2HD2 ASN 104 2HD2 ASN 104 -2.783 2.750 19.466 814 H ARG 105 H ARG 105 -5.853 3.386 17.448 815 HA ARG 105 HA ARG 105 -8.109 4.760 16.528 816 1HB ARG 105 2HB ARG 105 -7.741 3.011 18.343 817 2HB ARG 105 1HB ARG 105 -7.344 4.376 19.365 818 1HG ARG 105 2HG ARG 105 -9.547 3.894 19.876 819 2HG ARG 105 1HG ARG 105 -9.663 5.253 18.757 820 1HD ARG 105 2HD ARG 105 -11.240 3.408 18.365 821 2HD ARG 105 1HD ARG 105 -10.243 3.776 16.930 822 HE ARG 105 HE ARG 105 -8.961 1.766 18.369 823 1HH1 ARG 105 1HH1 ARG 105 -12.104 2.016 16.737 824 2HH1 ARG 105 2HH1 ARG 105 -12.165 0.369 16.354 825 1HH2 ARG 105 1HH2 ARG 105 -9.056 -0.456 17.887 826 2HH2 ARG 105 2HH2 ARG 105 -10.371 -1.098 17.017 827 H GLU 106 H GLU 106 -5.632 5.630 18.999 828 HA GLU 106 HA GLU 106 -5.536 8.363 18.621 829 1HB GLU 106 2HB GLU 106 -7.918 8.339 19.274 830 2HB GLU 106 1HB GLU 106 -7.496 7.492 20.750 831 1HG GLU 106 2HG GLU 106 -6.236 9.445 21.499 832 2HG GLU 106 1HG GLU 106 -6.683 10.291 20.015 833 H LYS 107 H LYS 107 -3.924 9.115 19.865 834 HA LYS 107 HA LYS 107 -2.161 9.318 21.253 835 1HB LYS 107 2HB LYS 107 -2.506 9.159 23.620 836 2HB LYS 107 1HB LYS 107 -3.999 9.722 22.899 837 1HG LYS 107 2HG LYS 107 -5.007 7.537 23.176 838 2HG LYS 107 1HG LYS 107 -3.477 6.869 23.727 839 1HD LYS 107 2HD LYS 107 -3.564 8.454 25.660 840 2HD LYS 107 1HD LYS 107 -5.180 8.927 25.128 841 1HE LYS 107 2HE LYS 107 -5.950 6.619 25.397 842 2HE LYS 107 1HE LYS 107 -4.329 6.136 25.869 843 1HZ LYS 107 1HZ LYS 107 -6.081 8.008 27.379 844 2HZ LYS 107 2HZ LYS 107 -4.507 7.584 27.799 845 3HZ LYS 107 3HZ LYS 107 -5.695 6.416 27.793 846 H THR 108 H THR 108 -2.672 6.435 20.047 847 HA THR 108 HA THR 108 -1.577 4.434 19.985 848 HB THR 108 HB THR 108 0.474 5.764 21.727 849 HG1 THR 108 1HG THR 108 -0.391 6.580 19.479 850 1HG2 THR 108 1HG2 THR 108 0.844 3.338 21.371 851 2HG2 THR 108 2HG2 THR 108 2.097 4.280 20.561 852 3HG2 THR 108 3HG2 THR 108 0.767 3.594 19.627 853 H GLY 109 H GLY 109 -3.449 5.161 22.040 854 1HA GLY 109 2HA GLY 109 -3.110 2.807 23.703 855 2HA GLY 109 1HA GLY 109 -3.333 4.358 24.524 856 H GLU 110 H GLU 110 -4.690 2.405 21.967 857 HA GLU 110 HA GLU 110 -7.101 3.863 21.852 858 1HB GLU 110 2HB GLU 110 -7.944 2.184 20.356 859 2HB GLU 110 1HB GLU 110 -6.327 2.705 19.953 860 1HG GLU 110 2HG GLU 110 -5.438 0.626 20.782 861 2HG GLU 110 1HG GLU 110 -7.056 0.118 21.282 862 H SER 111 H SER 111 -9.249 2.402 21.700 863 HA SER 111 HA SER 111 -10.070 2.094 24.338 864 1HB SER 111 2HB SER 111 -11.360 1.087 21.814 865 2HB SER 111 1HB SER 111 -12.165 1.515 23.327 866 HG SER 111 HG SER 111 -11.672 3.635 22.994 867 H ASN 112 H ASN 112 -9.028 0.498 25.475 868 HA ASN 112 HA ASN 112 -9.916 -2.114 25.333 869 1HB ASN 112 2HB ASN 112 -7.909 -3.407 24.788 870 2HB ASN 112 1HB ASN 112 -8.287 -2.373 23.430 871 1HD2 ASN 112 1HD2 ASN 112 -7.033 0.044 24.599 872 2HD2 ASN 112 2HD2 ASN 112 -5.343 -0.269 24.579 873 H CYS 113 H CYS 113 -9.633 -3.026 27.293 874 HA CYS 113 HA CYS 113 -7.611 -1.892 29.060 875 1HB CYS 113 2HB CYS 113 -9.659 -0.596 29.496 876 2HB CYS 113 1HB CYS 113 -10.556 -2.086 29.758 877 HG CYS 113 HG CYS 113 -7.960 -1.012 31.678 878 H CYS 114 H CYS 114 -10.354 -4.161 29.071 879 HA CYS 114 HA CYS 114 -8.578 -6.365 29.583 880 1HB CYS 114 2HB CYS 114 -9.004 -5.471 31.835 881 2HB CYS 114 1HB CYS 114 -10.737 -5.553 31.548 882 HG CYS 114 HG CYS 114 -8.543 -7.958 32.326 883 H VAL 115 H VAL 115 -9.301 -7.882 28.230 884 HA VAL 115 HA VAL 115 -11.903 -7.697 27.138 885 HB VAL 115 HB VAL 115 -10.142 -8.581 25.717 886 1HG1 VAL 115 1HG1 VAL 115 -8.699 -9.612 27.361 887 2HG1 VAL 115 2HG1 VAL 115 -9.082 -10.765 26.083 888 3HG1 VAL 115 3HG1 VAL 115 -9.888 -10.882 27.647 889 1HG2 VAL 115 1HG2 VAL 115 -12.171 -10.725 26.352 890 2HG2 VAL 115 2HG2 VAL 115 -11.198 -10.655 24.885 891 3HG2 VAL 115 3HG2 VAL 115 -12.373 -9.384 25.221 892 H ILE 116 H ILE 116 -13.480 -7.882 28.514 893 HA ILE 116 HA ILE 116 -13.567 -10.245 30.208 894 HB ILE 116 HB ILE 116 -13.735 -8.203 31.482 895 1HG1 ILE 116 2HG1 ILE 116 -16.464 -9.497 31.292 896 2HG1 ILE 116 1HG1 ILE 116 -15.108 -10.078 32.251 897 1HG2 ILE 116 1HG2 ILE 116 -14.455 -6.660 29.798 898 2HG2 ILE 116 2HG2 ILE 116 -15.529 -6.555 31.193 899 3HG2 ILE 116 3HG2 ILE 116 -16.050 -7.407 29.740 900 1HD1 ILE 116 1HD1 ILE 116 -15.218 -8.051 33.616 901 2HD1 ILE 116 2HD1 ILE 116 -16.744 -8.935 33.631 902 3HD1 ILE 116 3HD1 ILE 116 -16.576 -7.482 32.644 903 H LEU 117 H LEU 117 -14.657 -11.862 29.438 904 HA LEU 117 HA LEU 117 -17.039 -11.269 27.978 905 1HB LEU 117 2HB LEU 117 -16.459 -13.340 26.487 906 2HB LEU 117 1HB LEU 117 -15.806 -11.769 26.135 907 HG LEU 117 HG LEU 117 -13.644 -12.488 27.207 908 1HD1 LEU 117 1HD1 LEU 117 -13.177 -14.837 27.530 909 2HD1 LEU 117 2HD1 LEU 117 -14.868 -15.222 27.214 910 3HD1 LEU 117 3HD1 LEU 117 -14.429 -14.264 28.630 911 1HD2 LEU 117 1HD2 LEU 117 -12.920 -13.888 25.336 912 2HD2 LEU 117 2HD2 LEU 117 -13.894 -12.514 24.811 913 3HD2 LEU 117 3HD2 LEU 117 -14.605 -14.128 24.876
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