NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12486 | 1t0y | 6176 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -18.998 0.705 -8.087 2 HA MET 1 HA MET 1 -20.010 2.728 -7.524 3 1HB MET 1 1HB MET 1 -22.217 1.869 -6.826 4 2HB MET 1 2HB MET 1 -21.491 1.143 -5.402 5 1HG MET 1 1HG MET 1 -20.897 3.348 -4.561 6 2HG MET 1 2HG MET 1 -21.593 4.087 -6.002 7 1HE MET 1 1HE MET 1 -22.354 4.902 -2.998 8 2HE MET 1 2HE MET 1 -24.102 5.086 -3.157 9 3HE MET 1 3HE MET 1 -23.031 5.670 -4.432 10 H THR 2 H THR 2 -19.430 0.448 -4.795 11 HA THR 2 HA THR 2 -17.430 2.268 -3.780 12 HB THR 2 HB THR 2 -18.339 -0.451 -2.772 13 HG1 THR 2 HG1 THR 2 -19.290 2.141 -2.500 14 1HG2 THR 2 1HG2 THR 2 -16.116 0.220 -1.933 15 2HG2 THR 2 2HG2 THR 2 -17.322 0.258 -0.644 16 3HG2 THR 2 3HG2 THR 2 -16.790 1.759 -1.394 17 H GLU 3 H GLU 3 -15.194 1.845 -3.902 18 HA GLU 3 HA GLU 3 -14.494 -0.193 -5.861 19 1HB GLU 3 1HB GLU 3 -13.955 2.253 -6.169 20 2HB GLU 3 2HB GLU 3 -12.822 2.048 -4.838 21 1HG GLU 3 1HG GLU 3 -11.821 1.814 -7.014 22 2HG GLU 3 2HG GLU 3 -11.618 0.336 -6.046 23 H VAL 4 H VAL 4 -13.511 -1.874 -5.231 24 HA VAL 4 HA VAL 4 -12.086 -1.733 -2.746 25 HB VAL 4 HB VAL 4 -12.731 -4.109 -2.196 26 1HG1 VAL 4 1HG1 VAL 4 -15.003 -2.140 -2.396 27 2HG1 VAL 4 2HG1 VAL 4 -13.847 -2.284 -1.067 28 3HG1 VAL 4 3HG1 VAL 4 -14.985 -3.587 -1.391 29 1HG2 VAL 4 1HG2 VAL 4 -13.386 -4.833 -4.425 30 2HG2 VAL 4 2HG2 VAL 4 -14.753 -3.716 -4.399 31 3HG2 VAL 4 3HG2 VAL 4 -14.699 -5.076 -3.275 32 H TYR 5 H TYR 5 -10.225 -2.946 -2.680 33 HA TYR 5 HA TYR 5 -9.370 -4.221 -5.202 34 1HB TYR 5 1HB TYR 5 -7.227 -3.137 -5.099 35 2HB TYR 5 2HB TYR 5 -8.447 -1.887 -4.992 36 HD1 TYR 5 HD1 TYR 5 -9.123 -1.613 -2.232 37 HD2 TYR 5 HD2 TYR 5 -5.396 -2.637 -3.943 38 HE1 TYR 5 HE1 TYR 5 -7.981 -0.785 -0.233 39 HE2 TYR 5 HE2 TYR 5 -4.257 -1.818 -1.965 40 HH TYR 5 HH TYR 5 -5.831 -1.160 0.908 41 H ASP 6 H ASP 6 -8.149 -5.974 -5.058 42 HA ASP 6 HA ASP 6 -8.132 -7.244 -2.424 43 1HB ASP 6 1HB ASP 6 -9.285 -8.336 -4.237 44 2HB ASP 6 2HB ASP 6 -7.772 -8.435 -5.160 45 H LEU 7 H LEU 7 -6.327 -7.790 -1.415 46 HA LEU 7 HA LEU 7 -3.772 -7.236 -2.761 47 1HB LEU 7 1HB LEU 7 -4.654 -6.591 -0.006 48 2HB LEU 7 2HB LEU 7 -3.006 -6.518 -0.564 49 HG LEU 7 HG LEU 7 -5.304 -4.823 -1.524 50 1HD1 LEU 7 1HD1 LEU 7 -4.519 -4.315 0.733 51 2HD1 LEU 7 2HD1 LEU 7 -4.069 -3.032 -0.384 52 3HD1 LEU 7 3HD1 LEU 7 -2.866 -4.208 0.140 53 1HD2 LEU 7 1HD2 LEU 7 -3.547 -3.603 -2.779 54 2HD2 LEU 7 2HD2 LEU 7 -3.751 -5.250 -3.341 55 3HD2 LEU 7 3HD2 LEU 7 -2.379 -4.844 -2.313 56 H GLU 8 H GLU 8 -2.021 -8.398 -2.129 57 HA GLU 8 HA GLU 8 -2.387 -10.464 -0.061 58 1HB GLU 8 1HB GLU 8 -1.544 -11.414 -2.178 59 2HB GLU 8 2HB GLU 8 -0.219 -10.243 -2.182 60 1HG GLU 8 1HG GLU 8 0.609 -11.208 -0.071 61 2HG GLU 8 2HG GLU 8 -0.678 -12.402 -0.126 62 H ILE 9 H ILE 9 -1.626 -9.891 1.774 63 HA ILE 9 HA ILE 9 0.182 -7.589 1.938 64 HB ILE 9 HB ILE 9 -1.331 -8.995 4.129 65 1HG1 ILE 9 1HG1 ILE 9 -2.914 -7.937 2.588 66 2HG1 ILE 9 2HG1 ILE 9 -2.877 -7.063 4.112 67 1HG2 ILE 9 1HG2 ILE 9 0.136 -6.361 4.172 68 2HG2 ILE 9 2HG2 ILE 9 0.624 -7.852 4.976 69 3HG2 ILE 9 3HG2 ILE 9 -0.839 -7.012 5.492 70 1HD1 ILE 9 1HD1 ILE 9 -2.984 -5.542 2.234 71 2HD1 ILE 9 2HD1 ILE 9 -1.526 -6.257 1.553 72 3HD1 ILE 9 3HD1 ILE 9 -1.441 -5.361 3.075 73 H THR 10 H THR 10 2.183 -7.802 2.582 74 HA THR 10 HA THR 10 2.984 -10.210 4.025 75 HB THR 10 HB THR 10 5.256 -9.950 3.030 76 HG1 THR 10 HG1 THR 10 4.934 -8.740 0.826 77 1HG2 THR 10 1HG2 THR 10 3.056 -10.433 1.039 78 2HG2 THR 10 2HG2 THR 10 3.773 -11.610 2.162 79 3HG2 THR 10 3HG2 THR 10 4.754 -10.915 0.860 80 H THR 11 H THR 11 4.843 -9.792 5.388 81 HA THR 11 HA THR 11 5.451 -7.034 5.998 82 HB THR 11 HB THR 11 4.690 -8.889 8.171 83 HG1 THR 11 HG1 THR 11 2.977 -7.644 6.429 84 1HG2 THR 11 1HG2 THR 11 4.292 -6.790 9.463 85 2HG2 THR 11 2HG2 THR 11 4.757 -5.867 8.035 86 3HG2 THR 11 3HG2 THR 11 5.931 -6.912 8.827 87 H ASN 12 H ASN 12 7.122 -7.099 7.510 88 HA ASN 12 HA ASN 12 9.069 -9.115 6.809 89 1HB ASN 12 1HB ASN 12 10.664 -7.697 7.977 90 2HB ASN 12 2HB ASN 12 9.737 -6.770 6.808 91 1HD2 ASN 12 1HD2 ASN 12 11.216 -5.944 9.154 92 2HD2 ASN 12 2HD2 ASN 12 10.186 -5.055 10.173 93 H ALA 13 H ALA 13 7.216 -8.047 9.514 94 HA ALA 13 HA ALA 13 8.561 -9.622 11.458 95 1HB ALA 13 1HB ALA 13 5.855 -8.301 11.629 96 2HB ALA 13 2HB ALA 13 7.394 -7.563 12.077 97 3HB ALA 13 3HB ALA 13 6.778 -8.943 12.987 98 H THR 14 H THR 14 5.812 -10.126 9.342 99 HA THR 14 HA THR 14 5.293 -12.674 10.634 100 HB THR 14 HB THR 14 3.177 -12.601 9.263 101 HG1 THR 14 HG1 THR 14 2.674 -10.448 8.415 102 1HG2 THR 14 1HG2 THR 14 3.166 -11.872 11.619 103 2HG2 THR 14 2HG2 THR 14 2.055 -10.898 10.653 104 3HG2 THR 14 3HG2 THR 14 3.625 -10.247 11.114 105 H ASP 15 H ASP 15 5.312 -14.554 9.359 106 HA ASP 15 HA ASP 15 6.571 -14.204 6.725 107 1HB ASP 15 1HB ASP 15 7.964 -15.412 8.421 108 2HB ASP 15 2HB ASP 15 6.698 -16.623 8.565 109 H PHE 16 H PHE 16 3.738 -14.256 7.698 110 HA PHE 16 HA PHE 16 2.745 -16.339 5.904 111 1HB PHE 16 1HB PHE 16 2.053 -16.775 8.213 112 2HB PHE 16 2HB PHE 16 1.419 -15.135 8.329 113 HD1 PHE 16 HD1 PHE 16 -0.804 -14.692 7.797 114 HD2 PHE 16 HD2 PHE 16 0.962 -18.336 6.481 115 HE1 PHE 16 HE1 PHE 16 -2.998 -15.469 7.021 116 HE2 PHE 16 HE2 PHE 16 -1.232 -19.115 5.704 117 HZ PHE 16 HZ PHE 16 -3.214 -17.683 5.970 118 HA PRO 17 HA PRO 17 1.448 -12.663 3.606 119 1HB PRO 17 1HB PRO 17 0.531 -14.678 1.670 120 2HB PRO 17 2HB PRO 17 1.722 -13.394 1.446 121 1HG PRO 17 1HG PRO 17 2.415 -16.005 1.559 122 2HG PRO 17 2HG PRO 17 3.467 -14.709 2.147 123 1HD PRO 17 1HD PRO 17 1.729 -16.587 3.725 124 2HD PRO 17 2HD PRO 17 3.353 -15.950 4.065 125 H MET 18 H MET 18 -0.539 -11.764 3.609 126 HA MET 18 HA MET 18 -2.829 -13.541 4.208 127 1HB MET 18 1HB MET 18 -2.424 -10.683 5.112 128 2HB MET 18 2HB MET 18 -3.816 -11.688 5.473 129 1HG MET 18 1HG MET 18 -2.420 -13.191 6.748 130 2HG MET 18 2HG MET 18 -0.995 -12.216 6.370 131 1HE MET 18 1HE MET 18 -1.662 -12.994 9.329 132 2HE MET 18 2HE MET 18 -1.459 -11.453 10.158 133 3HE MET 18 3HE MET 18 -0.328 -11.927 8.895 134 H GLU 19 H GLU 19 -4.335 -13.547 2.606 135 HA GLU 19 HA GLU 19 -4.312 -11.265 0.816 136 1HB GLU 19 1HB GLU 19 -5.635 -12.595 -0.734 137 2HB GLU 19 2HB GLU 19 -4.177 -13.450 -0.283 138 1HG GLU 19 1HG GLU 19 -6.914 -13.992 0.878 139 2HG GLU 19 2HG GLU 19 -6.228 -14.870 -0.481 140 H LYS 20 H LYS 20 -5.814 -9.822 0.866 141 HA LYS 20 HA LYS 20 -8.467 -10.453 1.764 142 1HB LYS 20 1HB LYS 20 -7.208 -9.964 3.893 143 2HB LYS 20 2HB LYS 20 -6.988 -8.321 3.291 144 1HG LYS 20 1HG LYS 20 -9.420 -8.087 3.095 145 2HG LYS 20 2HG LYS 20 -9.598 -9.706 3.765 146 1HD LYS 20 1HD LYS 20 -8.506 -8.953 5.813 147 2HD LYS 20 2HD LYS 20 -8.351 -7.352 5.059 148 1HE LYS 20 1HE LYS 20 -10.960 -8.773 5.625 149 2HE LYS 20 2HE LYS 20 -10.301 -7.454 6.587 150 1HZ LYS 20 1HZ LYS 20 -11.983 -6.730 5.011 151 2HZ LYS 20 2HZ LYS 20 -11.070 -7.205 3.695 152 3HZ LYS 20 3HZ LYS 20 -10.526 -5.974 4.727 153 H LYS 21 H LYS 21 -9.947 -8.882 1.244 154 HA LYS 21 HA LYS 21 -9.001 -6.988 -0.761 155 1HB LYS 21 1HB LYS 21 -10.674 -8.778 -1.315 156 2HB LYS 21 2HB LYS 21 -11.767 -8.032 -0.176 157 1HG LYS 21 1HG LYS 21 -11.926 -6.067 -1.532 158 2HG LYS 21 2HG LYS 21 -10.688 -6.680 -2.631 159 1HD LYS 21 1HD LYS 21 -13.312 -8.094 -2.121 160 2HD LYS 21 2HD LYS 21 -13.078 -6.940 -3.423 161 1HE LYS 21 1HE LYS 21 -12.895 -9.239 -4.254 162 2HE LYS 21 2HE LYS 21 -11.366 -8.405 -4.430 163 1HZ LYS 21 1HZ LYS 21 -10.426 -9.760 -2.636 164 2HZ LYS 21 2HZ LYS 21 -11.270 -10.808 -3.615 165 3HZ LYS 21 3HZ LYS 21 -11.952 -10.294 -2.191 166 H TYR 22 H TYR 22 -9.488 -4.793 -0.557 167 HA TYR 22 HA TYR 22 -10.694 -3.918 1.989 168 1HB TYR 22 1HB TYR 22 -8.093 -2.896 0.794 169 2HB TYR 22 2HB TYR 22 -8.882 -2.259 2.224 170 HD1 TYR 22 HD1 TYR 22 -8.841 -3.547 4.329 171 HD2 TYR 22 HD2 TYR 22 -6.756 -4.884 0.872 172 HE1 TYR 22 HE1 TYR 22 -7.506 -5.064 5.726 173 HE2 TYR 22 HE2 TYR 22 -5.419 -6.407 2.257 174 HH TYR 22 HH TYR 22 -4.704 -6.603 4.616 175 HA PRO 23 HA PRO 23 -12.455 -0.832 -0.767 176 1HB PRO 23 1HB PRO 23 -12.347 1.323 1.129 177 2HB PRO 23 2HB PRO 23 -13.750 0.366 0.673 178 1HG PRO 23 1HG PRO 23 -12.546 0.303 3.151 179 2HG PRO 23 2HG PRO 23 -13.556 -0.980 2.474 180 1HD PRO 23 1HD PRO 23 -10.586 -0.810 2.683 181 2HD PRO 23 2HD PRO 23 -11.643 -2.233 2.804 182 H ALA 24 H ALA 24 -11.529 0.286 -2.330 183 HA ALA 24 HA ALA 24 -8.880 1.363 -1.939 184 1HB ALA 24 1HB ALA 24 -9.453 0.162 -4.011 185 2HB ALA 24 2HB ALA 24 -8.915 1.810 -4.335 186 3HB ALA 24 3HB ALA 24 -10.634 1.419 -4.394 187 H GLY 25 H GLY 25 -11.971 2.457 -1.619 188 1HA GLY 25 1HA GLY 25 -11.472 5.216 -2.304 189 2HA GLY 25 2HA GLY 25 -12.925 4.582 -1.543 190 H MET 26 H MET 26 -10.700 3.298 0.345 191 HA MET 26 HA MET 26 -10.897 5.508 2.210 192 1HB MET 26 1HB MET 26 -11.478 3.132 2.862 193 2HB MET 26 2HB MET 26 -9.779 2.728 2.673 194 1HG MET 26 1HG MET 26 -10.382 3.094 5.005 195 2HG MET 26 2HG MET 26 -9.184 4.262 4.446 196 1HE MET 26 1HE MET 26 -9.657 5.954 6.449 197 2HE MET 26 2HE MET 26 -10.749 4.743 7.104 198 3HE MET 26 3HE MET 26 -11.281 6.419 6.953 199 H SER 27 H SER 27 -8.813 5.849 3.636 200 HA SER 27 HA SER 27 -6.587 6.588 1.918 201 1HB SER 27 1HB SER 27 -5.769 7.500 4.062 202 2HB SER 27 2HB SER 27 -7.321 8.164 3.587 203 HG SER 27 HG SER 27 -7.944 7.535 5.469 204 H LEU 28 H LEU 28 -4.483 5.996 2.262 205 HA LEU 28 HA LEU 28 -3.885 3.294 2.752 206 1HB LEU 28 1HB LEU 28 -2.472 4.943 1.565 207 2HB LEU 28 2HB LEU 28 -2.111 5.667 3.091 208 HG LEU 28 HG LEU 28 -1.077 3.591 3.910 209 1HD1 LEU 28 1HD1 LEU 28 -1.446 2.599 1.097 210 2HD1 LEU 28 2HD1 LEU 28 -2.208 1.959 2.554 211 3HD1 LEU 28 3HD1 LEU 28 -0.464 1.824 2.341 212 1HD2 LEU 28 1HD2 LEU 28 0.975 3.769 2.579 213 2HD2 LEU 28 2HD2 LEU 28 0.305 5.345 2.998 214 3HD2 LEU 28 3HD2 LEU 28 0.091 4.701 1.371 215 H ASN 29 H ASN 29 -4.008 6.042 4.737 216 HA ASN 29 HA ASN 29 -2.631 5.059 6.985 217 1HB ASN 29 1HB ASN 29 -4.751 7.202 6.890 218 2HB ASN 29 2HB ASN 29 -3.842 6.803 8.343 219 1HD2 ASN 29 1HD2 ASN 29 -3.877 9.301 6.843 220 2HD2 ASN 29 2HD2 ASN 29 -2.241 9.575 6.367 221 H ASP 30 H ASP 30 -5.890 4.528 6.007 222 HA ASP 30 HA ASP 30 -6.677 3.272 8.471 223 1HB ASP 30 1HB ASP 30 -8.334 4.214 6.948 224 2HB ASP 30 2HB ASP 30 -7.845 3.075 5.709 225 H LEU 31 H LEU 31 -5.682 2.219 5.326 226 HA LEU 31 HA LEU 31 -5.777 -0.619 5.629 227 1HB LEU 31 1HB LEU 31 -5.467 0.751 3.501 228 2HB LEU 31 2HB LEU 31 -3.852 1.056 4.012 229 HG LEU 31 HG LEU 31 -4.060 -0.681 2.202 230 1HD1 LEU 31 1HD1 LEU 31 -2.762 -1.638 4.736 231 2HD1 LEU 31 2HD1 LEU 31 -2.032 -0.591 3.518 232 3HD1 LEU 31 3HD1 LEU 31 -2.448 -2.257 3.116 233 1HD2 LEU 31 1HD2 LEU 31 -6.071 -1.775 2.981 234 2HD2 LEU 31 2HD2 LEU 31 -5.222 -2.349 4.418 235 3HD2 LEU 31 3HD2 LEU 31 -4.750 -2.931 2.824 236 H LYS 32 H LYS 32 -3.130 1.601 6.121 237 HA LYS 32 HA LYS 32 -1.488 -0.497 7.174 238 1HB LYS 32 1HB LYS 32 0.111 1.218 7.827 239 2HB LYS 32 2HB LYS 32 -0.397 1.419 6.157 240 1HG LYS 32 1HG LYS 32 -1.927 3.191 6.883 241 2HG LYS 32 2HG LYS 32 -1.308 3.014 8.527 242 1HD LYS 32 1HD LYS 32 0.338 3.768 6.105 243 2HD LYS 32 2HD LYS 32 -0.257 4.885 7.333 244 1HE LYS 32 1HE LYS 32 1.052 3.715 9.031 245 2HE LYS 32 2HE LYS 32 1.649 2.595 7.813 246 1HZ LYS 32 1HZ LYS 32 3.249 4.409 8.275 247 2HZ LYS 32 2HZ LYS 32 2.115 5.535 7.759 248 3HZ LYS 32 3HZ LYS 32 2.736 4.443 6.672 249 H LYS 33 H LYS 33 -3.766 1.771 8.773 250 HA LYS 33 HA LYS 33 -2.955 1.210 11.357 251 1HB LYS 33 1HB LYS 33 -4.553 3.000 10.564 252 2HB LYS 33 2HB LYS 33 -5.742 1.735 10.347 253 1HG LYS 33 1HG LYS 33 -6.094 2.883 12.449 254 2HG LYS 33 2HG LYS 33 -5.647 1.193 12.711 255 1HD LYS 33 1HD LYS 33 -4.489 2.613 14.232 256 2HD LYS 33 2HD LYS 33 -3.319 1.881 13.156 257 1HE LYS 33 1HE LYS 33 -3.369 3.976 11.797 258 2HE LYS 33 2HE LYS 33 -4.417 4.702 13.008 259 1HZ LYS 33 1HZ LYS 33 -1.637 3.730 13.435 260 2HZ LYS 33 2HZ LYS 33 -2.616 4.385 14.640 261 3HZ LYS 33 3HZ LYS 33 -2.129 5.334 13.343 262 H LYS 34 H LYS 34 -5.040 -0.480 9.063 263 HA LYS 34 HA LYS 34 -6.082 -2.460 10.705 264 1HB LYS 34 1HB LYS 34 -5.788 -1.711 7.993 265 2HB LYS 34 2HB LYS 34 -5.612 -3.400 7.989 266 1HG LYS 34 1HG LYS 34 -7.889 -2.902 7.539 267 2HG LYS 34 2HG LYS 34 -7.888 -3.412 9.224 268 1HD LYS 34 1HD LYS 34 -7.954 -1.109 9.957 269 2HD LYS 34 2HD LYS 34 -7.801 -0.541 8.291 270 1HE LYS 34 1HE LYS 34 -9.923 -1.596 7.730 271 2HE LYS 34 2HE LYS 34 -10.085 -2.173 9.386 272 1HZ LYS 34 1HZ LYS 34 -11.370 -0.145 8.944 273 2HZ LYS 34 2HZ LYS 34 -9.945 0.702 8.611 274 3HZ LYS 34 3HZ LYS 34 -10.220 0.078 10.147 275 H LEU 35 H LEU 35 -3.101 -2.167 8.827 276 HA LEU 35 HA LEU 35 -2.064 -4.705 9.431 277 1HB LEU 35 1HB LEU 35 -0.795 -2.147 8.513 278 2HB LEU 35 2HB LEU 35 0.018 -3.675 8.492 279 HG LEU 35 HG LEU 35 -2.334 -2.835 6.826 280 1HD1 LEU 35 1HD1 LEU 35 0.481 -3.615 6.104 281 2HD1 LEU 35 2HD1 LEU 35 -0.198 -1.986 6.073 282 3HD1 LEU 35 3HD1 LEU 35 -0.804 -3.216 4.963 283 1HD2 LEU 35 1HD2 LEU 35 -1.008 -5.541 6.986 284 2HD2 LEU 35 2HD2 LEU 35 -2.184 -5.051 5.766 285 3HD2 LEU 35 3HD2 LEU 35 -2.668 -5.160 7.454 286 H GLU 36 H GLU 36 -1.550 -1.435 10.806 287 HA GLU 36 HA GLU 36 0.356 -1.913 12.703 288 1HB GLU 36 1HB GLU 36 -1.993 -0.066 12.572 289 2HB GLU 36 2HB GLU 36 -0.859 0.009 13.884 290 1HG GLU 36 1HG GLU 36 0.930 0.578 12.350 291 2HG GLU 36 2HG GLU 36 -0.155 0.382 10.977 292 H LEU 37 H LEU 37 -3.053 -2.573 12.714 293 HA LEU 37 HA LEU 37 -3.322 -3.100 15.486 294 1HB LEU 37 1HB LEU 37 -5.236 -2.585 13.915 295 2HB LEU 37 2HB LEU 37 -4.955 -4.133 13.184 296 HG LEU 37 HG LEU 37 -5.535 -5.274 15.282 297 1HD1 LEU 37 1HD1 LEU 37 -6.623 -4.028 17.084 298 2HD1 LEU 37 2HD1 LEU 37 -6.226 -2.516 16.270 299 3HD1 LEU 37 3HD1 LEU 37 -4.939 -3.559 16.873 300 1HD2 LEU 37 1HD2 LEU 37 -7.231 -4.940 13.570 301 2HD2 LEU 37 2HD2 LEU 37 -7.627 -3.362 14.247 302 3HD2 LEU 37 3HD2 LEU 37 -7.945 -4.826 15.177 303 H VAL 38 H VAL 38 -2.523 -5.064 12.703 304 HA VAL 38 HA VAL 38 -2.648 -7.527 14.201 305 HB VAL 38 HB VAL 38 -1.638 -7.029 11.384 306 1HG1 VAL 38 1HG1 VAL 38 -0.727 -9.091 12.311 307 2HG1 VAL 38 2HG1 VAL 38 -1.913 -9.440 11.054 308 3HG1 VAL 38 3HG1 VAL 38 -2.350 -9.627 12.749 309 1HG2 VAL 38 1HG2 VAL 38 -4.319 -8.026 12.349 310 2HG2 VAL 38 2HG2 VAL 38 -3.809 -7.927 10.663 311 3HG2 VAL 38 3HG2 VAL 38 -3.994 -6.455 11.617 312 H VAL 39 H VAL 39 -0.141 -5.419 12.888 313 HA VAL 39 HA VAL 39 1.946 -7.210 13.854 314 HB VAL 39 HB VAL 39 2.264 -4.550 12.441 315 1HG1 VAL 39 1HG1 VAL 39 4.509 -5.360 11.896 316 2HG1 VAL 39 2HG1 VAL 39 4.213 -6.826 12.833 317 3HG1 VAL 39 3HG1 VAL 39 4.273 -5.261 13.641 318 1HG2 VAL 39 1HG2 VAL 39 2.251 -7.337 11.281 319 2HG2 VAL 39 2HG2 VAL 39 2.609 -5.852 10.395 320 3HG2 VAL 39 3HG2 VAL 39 1.000 -6.116 11.064 321 H GLY 40 H GLY 40 0.414 -4.265 14.948 322 1HA GLY 40 1HA GLY 40 0.579 -3.469 17.101 323 2HA GLY 40 2HA GLY 40 1.978 -4.501 17.368 324 H THR 41 H THR 41 2.458 -2.986 14.506 325 HA THR 41 HA THR 41 4.393 -1.207 15.644 326 HB THR 41 HB THR 41 3.557 -1.398 12.745 327 HG1 THR 41 HG1 THR 41 5.790 -2.834 13.661 328 1HG2 THR 41 1HG2 THR 41 5.128 0.430 13.248 329 2HG2 THR 41 2HG2 THR 41 5.915 -0.821 12.294 330 3HG2 THR 41 3HG2 THR 41 6.225 -0.715 14.023 331 H THR 42 H THR 42 4.470 1.107 14.679 332 HA THR 42 HA THR 42 1.816 2.356 14.795 333 HB THR 42 HB THR 42 4.470 3.614 15.502 334 HG1 THR 42 HG1 THR 42 3.082 1.776 16.789 335 1HG2 THR 42 1HG2 THR 42 1.624 4.444 16.143 336 2HG2 THR 42 2HG2 THR 42 2.736 5.293 15.057 337 3HG2 THR 42 3HG2 THR 42 3.063 5.228 16.778 338 H VAL 43 H VAL 43 2.051 4.649 13.668 339 HA VAL 43 HA VAL 43 1.930 4.018 10.947 340 HB VAL 43 HB VAL 43 2.120 6.796 12.087 341 1HG1 VAL 43 1HG1 VAL 43 0.753 7.476 10.195 342 2HG1 VAL 43 2HG1 VAL 43 0.809 5.831 9.569 343 3HG1 VAL 43 3HG1 VAL 43 2.292 6.778 9.682 344 1HG2 VAL 43 1HG2 VAL 43 -0.289 5.021 11.811 345 2HG2 VAL 43 2HG2 VAL 43 -0.340 6.742 12.198 346 3HG2 VAL 43 3HG2 VAL 43 0.426 5.611 13.312 347 H ASP 44 H ASP 44 4.440 5.966 12.590 348 HA ASP 44 HA ASP 44 5.747 6.481 10.058 349 1HB ASP 44 1HB ASP 44 5.773 8.206 11.799 350 2HB ASP 44 2HB ASP 44 6.636 7.108 12.863 351 H SER 45 H SER 45 6.045 4.218 12.644 352 HA SER 45 HA SER 45 8.652 3.388 11.950 353 1HB SER 45 1HB SER 45 6.589 2.288 13.806 354 2HB SER 45 2HB SER 45 8.304 1.899 13.757 355 HG SER 45 HG SER 45 8.490 4.329 13.945 356 H MET 46 H MET 46 5.628 2.833 10.758 357 HA MET 46 HA MET 46 6.383 0.145 9.820 358 1HB MET 46 1HB MET 46 4.227 0.474 11.218 359 2HB MET 46 2HB MET 46 3.600 1.256 9.789 360 1HG MET 46 1HG MET 46 3.823 -0.711 8.487 361 2HG MET 46 2HG MET 46 4.676 -1.537 9.792 362 1HE MET 46 1HE MET 46 1.432 -3.544 9.897 363 2HE MET 46 2HE MET 46 3.195 -3.574 9.805 364 3HE MET 46 3HE MET 46 2.244 -2.966 8.447 365 H ARG 47 H ARG 47 7.104 0.203 7.865 366 HA ARG 47 HA ARG 47 6.326 2.428 6.137 367 1HB ARG 47 1HB ARG 47 8.741 2.004 6.732 368 2HB ARG 47 2HB ARG 47 8.622 0.498 5.853 369 1HG ARG 47 1HG ARG 47 9.689 2.170 4.508 370 2HG ARG 47 2HG ARG 47 8.127 1.741 3.807 371 1HD ARG 47 1HD ARG 47 8.546 4.174 3.795 372 2HD ARG 47 2HD ARG 47 7.114 3.742 4.718 373 HE ARG 47 HE ARG 47 8.987 3.827 6.617 374 1HH1 ARG 47 1HH1 ARG 47 8.394 6.142 3.974 375 2HH1 ARG 47 2HH1 ARG 47 8.744 7.497 4.941 376 1HH2 ARG 47 1HH2 ARG 47 9.472 5.728 7.911 377 2HH2 ARG 47 2HH2 ARG 47 9.372 7.268 7.193 378 H ILE 48 H ILE 48 5.401 2.025 4.137 379 HA ILE 48 HA ILE 48 4.675 -0.761 3.623 380 HB ILE 48 HB ILE 48 3.097 1.771 3.068 381 1HG1 ILE 48 1HG1 ILE 48 1.250 0.544 4.273 382 2HG1 ILE 48 2HG1 ILE 48 2.398 -0.729 4.637 383 1HG2 ILE 48 1HG2 ILE 48 2.520 -0.963 2.004 384 2HG2 ILE 48 2HG2 ILE 48 2.936 0.471 1.063 385 3HG2 ILE 48 3HG2 ILE 48 1.401 0.398 1.936 386 1HD1 ILE 48 1HD1 ILE 48 2.051 0.721 6.536 387 2HD1 ILE 48 2HD1 ILE 48 2.534 2.124 5.581 388 3HD1 ILE 48 3HD1 ILE 48 3.710 0.864 5.955 389 H GLN 49 H GLN 49 5.483 -1.640 1.894 390 HA GLN 49 HA GLN 49 6.440 0.099 -0.235 391 1HB GLN 49 1HB GLN 49 7.379 -2.665 0.532 392 2HB GLN 49 2HB GLN 49 7.989 -1.736 -0.832 393 1HG GLN 49 1HG GLN 49 8.784 -0.014 0.656 394 2HG GLN 49 2HG GLN 49 8.103 -0.889 2.024 395 1HE2 GLN 49 1HE2 GLN 49 10.712 -0.709 -0.283 396 2HE2 GLN 49 2HE2 GLN 49 11.687 -1.914 0.466 397 H LEU 50 H LEU 50 5.784 -0.373 -2.284 398 HA LEU 50 HA LEU 50 3.600 -2.331 -2.425 399 1HB LEU 50 1HB LEU 50 2.790 -0.042 -2.670 400 2HB LEU 50 2HB LEU 50 3.906 0.255 -3.979 401 HG LEU 50 HG LEU 50 1.592 -1.742 -4.235 402 1HD1 LEU 50 1HD1 LEU 50 0.384 0.009 -5.382 403 2HD1 LEU 50 2HD1 LEU 50 1.675 1.157 -5.039 404 3HD1 LEU 50 3HD1 LEU 50 0.715 0.480 -3.717 405 1HD2 LEU 50 1HD2 LEU 50 3.252 -0.254 -6.265 406 2HD2 LEU 50 2HD2 LEU 50 1.901 -1.302 -6.636 407 3HD2 LEU 50 3HD2 LEU 50 3.370 -1.978 -5.913 408 H PHE 51 H PHE 51 3.846 -4.028 -3.552 409 HA PHE 51 HA PHE 51 5.732 -4.024 -5.767 410 1HB PHE 51 1HB PHE 51 4.558 -6.284 -4.131 411 2HB PHE 51 2HB PHE 51 5.544 -6.529 -5.571 412 HD1 PHE 51 HD1 PHE 51 5.546 -5.376 -2.076 413 HD2 PHE 51 HD2 PHE 51 7.906 -6.247 -5.504 414 HE1 PHE 51 HE1 PHE 51 7.589 -5.277 -0.702 415 HE2 PHE 51 HE2 PHE 51 9.941 -6.150 -4.130 416 HZ PHE 51 HZ PHE 51 9.775 -5.659 -1.727 417 H ASP 52 H ASP 52 4.987 -4.257 -7.743 418 HA ASP 52 HA ASP 52 2.209 -3.815 -8.162 419 1HB ASP 52 1HB ASP 52 3.820 -2.788 -9.570 420 2HB ASP 52 2HB ASP 52 4.427 -4.361 -10.164 421 H GLY 53 H GLY 53 1.216 -5.029 -9.827 422 1HA GLY 53 1HA GLY 53 0.685 -7.675 -8.784 423 2HA GLY 53 2HA GLY 53 -0.119 -6.974 -10.183 424 H ASP 54 H ASP 54 2.535 -6.393 -11.382 425 HA ASP 54 HA ASP 54 2.806 -8.780 -12.895 426 1HB ASP 54 1HB ASP 54 3.275 -6.553 -13.843 427 2HB ASP 54 2HB ASP 54 4.647 -6.386 -12.754 428 H ASP 55 H ASP 55 5.062 -7.115 -10.651 429 HA ASP 55 HA ASP 55 6.020 -9.314 -9.313 430 1HB ASP 55 1HB ASP 55 6.837 -10.170 -11.407 431 2HB ASP 55 2HB ASP 55 7.660 -8.661 -11.764 432 H GLN 56 H GLN 56 7.229 -6.481 -11.009 433 HA GLN 56 HA GLN 56 9.325 -5.926 -9.253 434 1HB GLN 56 1HB GLN 56 9.525 -3.789 -10.429 435 2HB GLN 56 2HB GLN 56 9.480 -5.188 -11.483 436 1HG GLN 56 1HG GLN 56 7.115 -4.720 -11.973 437 2HG GLN 56 2HG GLN 56 7.196 -3.305 -10.925 438 1HE2 GLN 56 1HE2 GLN 56 8.169 -4.693 -13.920 439 2HE2 GLN 56 2HE2 GLN 56 8.697 -3.227 -14.663 440 H LEU 57 H LEU 57 9.723 -4.266 -7.927 441 HA LEU 57 HA LEU 57 7.542 -3.250 -6.289 442 1HB LEU 57 1HB LEU 57 9.669 -4.075 -5.274 443 2HB LEU 57 2HB LEU 57 10.558 -2.863 -6.150 444 HG LEU 57 HG LEU 57 8.501 -2.101 -4.048 445 1HD1 LEU 57 1HD1 LEU 57 10.367 -1.940 -2.474 446 2HD1 LEU 57 2HD1 LEU 57 11.460 -2.581 -3.698 447 3HD1 LEU 57 3HD1 LEU 57 10.178 -3.601 -3.040 448 1HD2 LEU 57 1HD2 LEU 57 9.834 -0.066 -3.919 449 2HD2 LEU 57 2HD2 LEU 57 9.281 -0.330 -5.576 450 3HD2 LEU 57 3HD2 LEU 57 10.946 -0.700 -5.133 451 H LYS 58 H LYS 58 6.603 -1.424 -6.554 452 HA LYS 58 HA LYS 58 7.440 0.276 -8.757 453 1HB LYS 58 1HB LYS 58 5.055 0.407 -6.923 454 2HB LYS 58 2HB LYS 58 5.328 1.498 -8.260 455 1HG LYS 58 1HG LYS 58 5.139 -1.468 -8.687 456 2HG LYS 58 2HG LYS 58 3.685 -0.488 -8.557 457 1HD LYS 58 1HD LYS 58 4.255 -0.869 -10.902 458 2HD LYS 58 2HD LYS 58 4.426 0.831 -10.513 459 1HE LYS 58 1HE LYS 58 6.821 0.609 -10.436 460 2HE LYS 58 2HE LYS 58 6.720 -1.146 -10.693 461 1HZ LYS 58 1HZ LYS 58 5.900 1.012 -12.546 462 2HZ LYS 58 2HZ LYS 58 5.755 -0.641 -12.869 463 3HZ LYS 58 3HZ LYS 58 7.287 0.059 -12.666 464 H GLY 59 H GLY 59 6.915 0.489 -5.315 465 1HA GLY 59 1HA GLY 59 9.007 2.127 -4.708 466 2HA GLY 59 2HA GLY 59 7.721 3.228 -5.188 467 H GLU 60 H GLU 60 7.826 4.058 -2.980 468 HA GLU 60 HA GLU 60 6.764 2.284 -0.976 469 1HB GLU 60 1HB GLU 60 8.924 3.509 -0.670 470 2HB GLU 60 2HB GLU 60 8.040 5.011 -0.877 471 1HG GLU 60 1HG GLU 60 6.680 4.397 1.084 472 2HG GLU 60 2HG GLU 60 7.731 3.003 1.321 473 H LEU 61 H LEU 61 4.738 2.858 -0.187 474 HA LEU 61 HA LEU 61 3.315 4.948 -1.639 475 1HB LEU 61 1HB LEU 61 2.347 3.104 0.537 476 2HB LEU 61 2HB LEU 61 1.360 4.314 -0.262 477 HG LEU 61 HG LEU 61 2.606 1.915 -1.598 478 1HD1 LEU 61 1HD1 LEU 61 0.306 1.100 -1.756 479 2HD1 LEU 61 2HD1 LEU 61 -0.255 2.514 -0.865 480 3HD1 LEU 61 3HD1 LEU 61 0.784 1.331 -0.075 481 1HD2 LEU 61 1HD2 LEU 61 0.738 4.044 -2.648 482 2HD2 LEU 61 2HD2 LEU 61 1.199 2.584 -3.510 483 3HD2 LEU 61 3HD2 LEU 61 2.418 3.800 -3.137 484 H THR 62 H THR 62 2.683 4.606 1.502 485 HA THR 62 HA THR 62 3.214 5.827 3.411 486 HB THR 62 HB THR 62 5.179 7.091 1.529 487 HG1 THR 62 HG1 THR 62 6.606 5.711 2.483 488 1HG2 THR 62 1HG2 THR 62 4.824 8.646 3.398 489 2HG2 THR 62 2HG2 THR 62 6.418 7.872 3.404 490 3HG2 THR 62 3HG2 THR 62 5.175 7.322 4.547 491 H ASP 63 H ASP 63 1.654 6.976 0.776 492 HA ASP 63 HA ASP 63 0.973 9.533 2.055 493 1HB ASP 63 1HB ASP 63 0.255 8.582 -0.683 494 2HB ASP 63 2HB ASP 63 -0.065 10.162 -0.060 495 H GLY 64 H GLY 64 -0.645 9.220 3.365 496 1HA GLY 64 1HA GLY 64 -2.877 7.567 2.396 497 2HA GLY 64 2HA GLY 64 -2.606 7.744 4.107 498 H ALA 65 H ALA 65 -2.056 10.474 2.229 499 HA ALA 65 HA ALA 65 -4.363 11.818 3.288 500 1HB ALA 65 1HB ALA 65 -2.301 12.752 1.291 501 2HB ALA 65 2HB ALA 65 -2.223 12.982 3.034 502 3HB ALA 65 3HB ALA 65 -3.493 13.773 2.096 503 H LYS 66 H LYS 66 -3.621 9.947 0.577 504 HA LYS 66 HA LYS 66 -5.880 11.028 -0.962 505 1HB LYS 66 1HB LYS 66 -3.688 9.162 -1.914 506 2HB LYS 66 2HB LYS 66 -4.978 9.813 -2.891 507 1HG LYS 66 1HG LYS 66 -3.054 11.006 -3.493 508 2HG LYS 66 2HG LYS 66 -3.958 12.093 -2.446 509 1HD LYS 66 1HD LYS 66 -2.498 11.569 -0.589 510 2HD LYS 66 2HD LYS 66 -1.653 10.366 -1.561 511 1HE LYS 66 1HE LYS 66 -1.749 13.331 -2.105 512 2HE LYS 66 2HE LYS 66 -0.382 12.441 -1.440 513 1HZ LYS 66 1HZ LYS 66 -1.534 12.093 -4.171 514 2HZ LYS 66 2HZ LYS 66 -0.298 11.163 -3.534 515 3HZ LYS 66 3HZ LYS 66 -0.058 12.803 -3.772 516 H SER 67 H SER 67 -6.782 8.988 -2.383 517 HA SER 67 HA SER 67 -7.572 7.041 -0.414 518 1HB SER 67 1HB SER 67 -8.448 7.279 -3.276 519 2HB SER 67 2HB SER 67 -9.294 6.544 -1.931 520 HG SER 67 HG SER 67 -9.090 9.189 -2.654 521 H LEU 68 H LEU 68 -7.382 4.880 -1.073 522 HA LEU 68 HA LEU 68 -4.882 4.101 -2.122 523 1HB LEU 68 1HB LEU 68 -7.435 2.652 -1.590 524 2HB LEU 68 2HB LEU 68 -5.934 1.827 -1.998 525 HG LEU 68 HG LEU 68 -6.099 3.730 0.310 526 1HD1 LEU 68 1HD1 LEU 68 -6.613 0.756 0.404 527 2HD1 LEU 68 2HD1 LEU 68 -7.815 2.012 0.688 528 3HD1 LEU 68 3HD1 LEU 68 -6.458 1.820 1.801 529 1HD2 LEU 68 1HD2 LEU 68 -4.274 1.445 -0.379 530 2HD2 LEU 68 2HD2 LEU 68 -4.211 2.357 1.114 531 3HD2 LEU 68 3HD2 LEU 68 -3.880 3.165 -0.420 532 H LYS 69 H LYS 69 -7.919 4.629 -3.514 533 HA LYS 69 HA LYS 69 -7.456 3.297 -6.024 534 1HB LYS 69 1HB LYS 69 -9.742 3.832 -4.976 535 2HB LYS 69 2HB LYS 69 -9.477 5.492 -5.447 536 1HG LYS 69 1HG LYS 69 -9.618 3.186 -7.392 537 2HG LYS 69 2HG LYS 69 -10.993 4.179 -6.945 538 1HD LYS 69 1HD LYS 69 -9.869 6.143 -7.887 539 2HD LYS 69 2HD LYS 69 -8.473 5.145 -8.309 540 1HE LYS 69 1HE LYS 69 -9.874 3.790 -9.777 541 2HE LYS 69 2HE LYS 69 -11.283 4.749 -9.321 542 1HZ LYS 69 1HZ LYS 69 -10.375 5.419 -11.452 543 2HZ LYS 69 2HZ LYS 69 -8.890 5.788 -10.752 544 3HZ LYS 69 3HZ LYS 69 -10.261 6.667 -10.336 545 H ASP 70 H ASP 70 -7.280 6.638 -4.812 546 HA ASP 70 HA ASP 70 -6.496 7.846 -7.268 547 1HB ASP 70 1HB ASP 70 -7.444 9.043 -5.317 548 2HB ASP 70 2HB ASP 70 -5.948 8.767 -4.467 549 H LEU 71 H LEU 71 -4.849 6.402 -4.659 550 HA LEU 71 HA LEU 71 -2.166 7.070 -5.481 551 1HB LEU 71 1HB LEU 71 -3.158 4.816 -3.758 552 2HB LEU 71 2HB LEU 71 -1.470 5.179 -4.008 553 HG LEU 71 HG LEU 71 -3.472 6.975 -2.602 554 1HD1 LEU 71 1HD1 LEU 71 -1.222 5.289 -1.554 555 2HD1 LEU 71 2HD1 LEU 71 -2.940 4.958 -1.359 556 3HD1 LEU 71 3HD1 LEU 71 -2.226 6.393 -0.617 557 1HD2 LEU 71 1HD2 LEU 71 -1.507 8.276 -1.997 558 2HD2 LEU 71 2HD2 LEU 71 -1.724 8.249 -3.744 559 3HD2 LEU 71 3HD2 LEU 71 -0.491 7.231 -2.990 560 H GLY 72 H GLY 72 -4.470 4.916 -6.677 561 1HA GLY 72 1HA GLY 72 -4.422 3.355 -8.340 562 2HA GLY 72 2HA GLY 72 -2.816 3.948 -8.735 563 H VAL 73 H VAL 73 -3.998 2.443 -5.742 564 HA VAL 73 HA VAL 73 -1.732 0.711 -5.742 565 HB VAL 73 HB VAL 73 -4.151 0.620 -3.879 566 1HG1 VAL 73 1HG1 VAL 73 -2.653 -0.632 -2.384 567 2HG1 VAL 73 2HG1 VAL 73 -1.407 -0.622 -3.633 568 3HG1 VAL 73 3HG1 VAL 73 -2.920 -1.487 -3.906 569 1HG2 VAL 73 1HG2 VAL 73 -2.978 2.750 -3.763 570 2HG2 VAL 73 2HG2 VAL 73 -1.449 1.907 -3.500 571 3HG2 VAL 73 3HG2 VAL 73 -2.732 1.808 -2.293 572 H ARG 74 H ARG 74 -5.005 0.343 -6.251 573 HA ARG 74 HA ARG 74 -6.305 -1.088 -7.544 574 1HB ARG 74 1HB ARG 74 -3.666 -1.871 -8.752 575 2HB ARG 74 2HB ARG 74 -5.250 -2.193 -9.440 576 1HG ARG 74 1HG ARG 74 -5.661 0.125 -9.761 577 2HG ARG 74 2HG ARG 74 -4.194 0.555 -8.880 578 1HD ARG 74 1HD ARG 74 -2.884 -0.628 -10.602 579 2HD ARG 74 2HD ARG 74 -4.373 -0.894 -11.508 580 HE ARG 74 HE ARG 74 -4.583 1.600 -11.413 581 1HH1 ARG 74 1HH1 ARG 74 -1.424 -0.063 -11.511 582 2HH1 ARG 74 2HH1 ARG 74 -0.623 1.247 -12.230 583 1HH2 ARG 74 1HH2 ARG 74 -3.438 3.382 -12.419 584 2HH2 ARG 74 2HH2 ARG 74 -1.778 3.216 -12.762 585 H ASP 75 H ASP 75 -6.451 -3.422 -8.307 586 HA ASP 75 HA ASP 75 -6.041 -5.066 -5.930 587 1HB ASP 75 1HB ASP 75 -7.635 -6.597 -6.844 588 2HB ASP 75 2HB ASP 75 -8.292 -4.971 -6.893 589 H GLY 76 H GLY 76 -5.383 -7.138 -6.089 590 1HA GLY 76 1HA GLY 76 -4.110 -8.955 -6.892 591 2HA GLY 76 2HA GLY 76 -4.014 -8.142 -8.452 592 H TYR 77 H TYR 77 -3.187 -6.268 -5.785 593 HA TYR 77 HA TYR 77 -0.364 -6.385 -6.526 594 1HB TYR 77 1HB TYR 77 -2.049 -4.246 -5.284 595 2HB TYR 77 2HB TYR 77 -0.298 -4.210 -5.155 596 HD1 TYR 77 HD1 TYR 77 0.693 -2.825 -6.618 597 HD2 TYR 77 HD2 TYR 77 -2.786 -4.858 -7.904 598 HE1 TYR 77 HE1 TYR 77 0.880 -1.732 -8.812 599 HE2 TYR 77 HE2 TYR 77 -2.623 -3.776 -10.106 600 HH TYR 77 HH TYR 77 0.203 -2.132 -11.018 601 H ARG 78 H ARG 78 1.232 -6.188 -4.879 602 HA ARG 78 HA ARG 78 0.342 -7.620 -2.490 603 1HB ARG 78 1HB ARG 78 3.104 -7.657 -3.721 604 2HB ARG 78 2HB ARG 78 2.513 -8.675 -2.409 605 1HG ARG 78 1HG ARG 78 0.892 -9.690 -3.987 606 2HG ARG 78 2HG ARG 78 1.603 -8.726 -5.277 607 1HD ARG 78 1HD ARG 78 3.792 -9.813 -4.754 608 2HD ARG 78 2HD ARG 78 2.926 -10.878 -3.646 609 HE ARG 78 HE ARG 78 2.404 -10.726 -6.537 610 1HH1 ARG 78 1HH1 ARG 78 2.409 -12.631 -3.539 611 2HH1 ARG 78 2HH1 ARG 78 2.247 -14.114 -4.356 612 1HH2 ARG 78 1HH2 ARG 78 2.143 -12.747 -7.604 613 2HH2 ARG 78 2HH2 ARG 78 2.075 -14.199 -6.719 614 H ILE 79 H ILE 79 0.510 -6.526 -0.704 615 HA ILE 79 HA ILE 79 2.137 -4.099 -0.727 616 HB ILE 79 HB ILE 79 -0.338 -4.737 0.894 617 1HG1 ILE 79 1HG1 ILE 79 -0.780 -4.065 -1.405 618 2HG1 ILE 79 2HG1 ILE 79 -1.313 -2.813 -0.287 619 1HG2 ILE 79 1HG2 ILE 79 1.409 -2.300 1.054 620 2HG2 ILE 79 2HG2 ILE 79 1.229 -3.526 2.311 621 3HG2 ILE 79 3HG2 ILE 79 -0.140 -2.494 1.875 622 1HD1 ILE 79 1HD1 ILE 79 0.730 -1.538 -0.807 623 2HD1 ILE 79 2HD1 ILE 79 -0.273 -1.834 -2.222 624 3HD1 ILE 79 3HD1 ILE 79 1.191 -2.780 -1.975 625 H HIS 80 H HIS 80 3.853 -4.126 0.340 626 HA HIS 80 HA HIS 80 4.237 -6.170 2.384 627 1HB HIS 80 1HB HIS 80 5.779 -6.356 0.554 628 2HB HIS 80 2HB HIS 80 6.159 -4.638 0.657 629 HD1 HIS 80 HD1 HIS 80 6.575 -7.811 2.639 630 HD2 HIS 80 HD2 HIS 80 8.170 -4.008 2.263 631 HE1 HIS 80 HE1 HIS 80 8.534 -7.792 4.212 632 HE2 HIS 80 HE2 HIS 80 9.711 -5.648 3.645 633 H ALA 81 H ALA 81 4.185 -5.499 4.401 634 HA ALA 81 HA ALA 81 4.870 -2.709 4.949 635 1HB ALA 81 1HB ALA 81 3.802 -3.088 7.112 636 2HB ALA 81 2HB ALA 81 3.465 -4.763 6.659 637 3HB ALA 81 3HB ALA 81 2.694 -3.435 5.786 638 H VAL 82 H VAL 82 6.531 -2.237 6.317 639 HA VAL 82 HA VAL 82 7.989 -4.496 7.393 640 HB VAL 82 HB VAL 82 9.075 -3.860 5.288 641 1HG1 VAL 82 1HG1 VAL 82 9.465 -1.160 6.501 642 2HG1 VAL 82 2HG1 VAL 82 8.425 -1.553 5.127 643 3HG1 VAL 82 3HG1 VAL 82 10.181 -1.703 4.981 644 1HG2 VAL 82 1HG2 VAL 82 11.370 -3.487 6.099 645 2HG2 VAL 82 2HG2 VAL 82 10.516 -4.703 7.048 646 3HG2 VAL 82 3HG2 VAL 82 10.723 -3.072 7.685 647 H ASP 83 H ASP 83 8.692 -4.227 9.373 648 HA ASP 83 HA ASP 83 7.939 -1.805 10.803 649 1HB ASP 83 1HB ASP 83 7.409 -3.984 11.767 650 2HB ASP 83 2HB ASP 83 9.116 -4.432 11.755 651 H VAL 84 H VAL 84 9.356 -0.282 11.071 652 HA VAL 84 HA VAL 84 12.150 -0.887 10.442 653 HB VAL 84 HB VAL 84 10.844 1.809 10.695 654 1HG1 VAL 84 1HG1 VAL 84 13.516 1.021 9.522 655 2HG1 VAL 84 2HG1 VAL 84 13.249 1.920 11.017 656 3HG1 VAL 84 3HG1 VAL 84 12.819 2.644 9.467 657 1HG2 VAL 84 1HG2 VAL 84 9.841 0.573 8.869 658 2HG2 VAL 84 2HG2 VAL 84 11.435 0.200 8.213 659 3HG2 VAL 84 3HG2 VAL 84 10.856 1.862 8.224 660 H THR 85 H THR 85 10.178 -0.075 13.138 661 HA THR 85 HA THR 85 12.162 1.267 14.661 662 HB THR 85 HB THR 85 9.840 1.618 15.145 663 HG1 THR 85 HG1 THR 85 10.609 0.299 17.490 664 1HG2 THR 85 1HG2 THR 85 8.465 -0.068 16.327 665 2HG2 THR 85 2HG2 THR 85 9.743 -1.254 16.042 666 3HG2 THR 85 3HG2 THR 85 8.884 -0.540 14.680 667 H GLY 86 H GLY 86 11.300 -2.047 14.298 668 1HA GLY 86 1HA GLY 86 13.134 -2.890 16.402 669 2HA GLY 86 2HA GLY 86 12.214 -3.965 15.365 670 H GLY 87 H GLY 87 13.559 -1.927 13.254 671 1HA GLY 87 1HA GLY 87 15.585 -1.749 12.109 672 2HA GLY 87 2HA GLY 87 16.307 -2.840 13.280 673 H ASN 88 H ASN 88 13.652 -4.472 12.330 674 HA ASN 88 HA ASN 88 15.115 -6.317 10.776 675 1HB ASN 88 1HB ASN 88 13.334 -6.952 12.325 676 2HB ASN 88 2HB ASN 88 12.168 -6.078 11.336 677 1HD2 ASN 88 1HD2 ASN 88 14.015 -8.887 11.680 678 2HD2 ASN 88 2HD2 ASN 88 13.312 -9.702 10.322 679 H GLU 89 H GLU 89 15.464 -6.122 8.639 680 HA GLU 89 HA GLU 89 13.153 -5.628 6.970 681 1HB GLU 89 1HB GLU 89 14.372 -4.114 5.436 682 2HB GLU 89 2HB GLU 89 14.161 -3.417 7.030 683 1HG GLU 89 1HG GLU 89 16.442 -3.973 7.587 684 2HG GLU 89 2HG GLU 89 16.671 -4.698 5.991 685 H ASP 90 H ASP 90 15.492 -7.539 7.861 686 HA ASP 90 HA ASP 90 15.385 -9.193 5.576 687 1HB ASP 90 1HB ASP 90 17.167 -7.671 4.864 688 2HB ASP 90 2HB ASP 90 18.030 -7.969 6.363 Start of MODEL 2 1 H MET 1 H MET 1 -17.887 5.686 -5.245 2 HA MET 1 HA MET 1 -20.154 3.892 -5.819 3 1HB MET 1 1HB MET 1 -17.505 4.266 -7.233 4 2HB MET 1 2HB MET 1 -18.587 2.925 -7.532 5 1HG MET 1 1HG MET 1 -20.287 4.467 -8.333 6 2HG MET 1 2HG MET 1 -19.211 5.828 -8.009 7 1HE MET 1 1HE MET 1 -19.282 5.648 -11.917 8 2HE MET 1 2HE MET 1 -19.542 6.668 -10.504 9 3HE MET 1 3HE MET 1 -20.617 5.302 -10.817 10 H THR 2 H THR 2 -19.770 1.684 -5.345 11 HA THR 2 HA THR 2 -17.734 1.313 -3.346 12 HB THR 2 HB THR 2 -19.867 0.318 -2.766 13 HG1 THR 2 HG1 THR 2 -18.589 -2.044 -3.393 14 1HG2 THR 2 1HG2 THR 2 -19.654 -1.318 -5.308 15 2HG2 THR 2 2HG2 THR 2 -20.822 -0.033 -4.995 16 3HG2 THR 2 3HG2 THR 2 -20.885 -1.524 -4.060 17 H GLU 3 H GLU 3 -15.799 0.773 -3.861 18 HA GLU 3 HA GLU 3 -15.336 -0.885 -6.201 19 1HB GLU 3 1HB GLU 3 -13.912 1.661 -5.463 20 2HB GLU 3 2HB GLU 3 -13.424 0.569 -6.759 21 1HG GLU 3 1HG GLU 3 -15.415 0.913 -7.882 22 2HG GLU 3 2HG GLU 3 -16.077 1.880 -6.570 23 H VAL 4 H VAL 4 -13.860 -2.319 -5.823 24 HA VAL 4 HA VAL 4 -12.305 -2.138 -3.341 25 HB VAL 4 HB VAL 4 -12.780 -4.544 -2.816 26 1HG1 VAL 4 1HG1 VAL 4 -13.895 -2.749 -1.579 27 2HG1 VAL 4 2HG1 VAL 4 -14.968 -4.131 -1.792 28 3HG1 VAL 4 3HG1 VAL 4 -15.168 -2.696 -2.800 29 1HG2 VAL 4 1HG2 VAL 4 -13.570 -5.269 -4.991 30 2HG2 VAL 4 2HG2 VAL 4 -14.938 -4.165 -4.882 31 3HG2 VAL 4 3HG2 VAL 4 -14.834 -5.539 -3.788 32 H TYR 5 H TYR 5 -10.477 -3.185 -3.219 33 HA TYR 5 HA TYR 5 -9.410 -4.706 -5.563 34 1HB TYR 5 1HB TYR 5 -7.880 -2.907 -3.675 35 2HB TYR 5 2HB TYR 5 -7.190 -3.852 -4.980 36 HD1 TYR 5 HD1 TYR 5 -7.716 -0.695 -4.039 37 HD2 TYR 5 HD2 TYR 5 -8.718 -3.226 -7.301 38 HE1 TYR 5 HE1 TYR 5 -7.914 1.270 -5.490 39 HE2 TYR 5 HE2 TYR 5 -8.922 -1.261 -8.765 40 HH TYR 5 HH TYR 5 -9.407 1.122 -8.468 41 H ASP 6 H ASP 6 -8.401 -6.593 -5.102 42 HA ASP 6 HA ASP 6 -8.447 -7.499 -2.319 43 1HB ASP 6 1HB ASP 6 -7.496 -8.930 -4.779 44 2HB ASP 6 2HB ASP 6 -7.705 -9.645 -3.203 45 H LEU 7 H LEU 7 -6.714 -7.091 -1.139 46 HA LEU 7 HA LEU 7 -4.184 -6.618 -2.509 47 1HB LEU 7 1HB LEU 7 -5.215 -5.589 0.122 48 2HB LEU 7 2HB LEU 7 -3.557 -5.450 -0.384 49 HG LEU 7 HG LEU 7 -4.364 -4.017 -2.321 50 1HD1 LEU 7 1HD1 LEU 7 -6.634 -4.739 -2.451 51 2HD1 LEU 7 2HD1 LEU 7 -6.535 -2.998 -2.154 52 3HD1 LEU 7 3HD1 LEU 7 -6.959 -4.095 -0.843 53 1HD2 LEU 7 1HD2 LEU 7 -3.422 -3.014 -0.344 54 2HD2 LEU 7 2HD2 LEU 7 -4.996 -3.053 0.448 55 3HD2 LEU 7 3HD2 LEU 7 -4.741 -2.027 -0.966 56 H GLU 8 H GLU 8 -2.354 -7.470 -1.662 57 HA GLU 8 HA GLU 8 -2.660 -9.653 0.311 58 1HB GLU 8 1HB GLU 8 -1.868 -10.428 -1.877 59 2HB GLU 8 2HB GLU 8 -0.626 -9.184 -1.867 60 1HG GLU 8 1HG GLU 8 0.475 -10.240 -0.006 61 2HG GLU 8 2HG GLU 8 -0.796 -11.451 0.098 62 H ILE 9 H ILE 9 -1.875 -9.280 2.167 63 HA ILE 9 HA ILE 9 -0.163 -6.945 2.539 64 HB ILE 9 HB ILE 9 -1.473 -8.707 4.596 65 1HG1 ILE 9 1HG1 ILE 9 -3.208 -7.577 3.300 66 2HG1 ILE 9 2HG1 ILE 9 -3.125 -6.870 4.904 67 1HG2 ILE 9 1HG2 ILE 9 0.470 -7.551 5.478 68 2HG2 ILE 9 2HG2 ILE 9 -1.002 -6.890 6.182 69 3HG2 ILE 9 3HG2 ILE 9 -0.164 -6.005 4.908 70 1HD1 ILE 9 1HD1 ILE 9 -1.981 -5.692 2.376 71 2HD1 ILE 9 2HD1 ILE 9 -1.853 -4.977 3.978 72 3HD1 ILE 9 3HD1 ILE 9 -3.436 -5.157 3.218 73 H THR 10 H THR 10 1.830 -7.168 2.855 74 HA THR 10 HA THR 10 2.980 -9.671 3.843 75 HB THR 10 HB THR 10 4.976 -9.148 2.357 76 HG1 THR 10 HG1 THR 10 3.172 -7.223 1.470 77 1HG2 THR 10 1HG2 THR 10 2.389 -9.902 1.002 78 2HG2 THR 10 2HG2 THR 10 3.497 -10.979 1.873 79 3HG2 THR 10 3HG2 THR 10 4.019 -10.203 0.374 80 H THR 11 H THR 11 4.985 -9.355 4.965 81 HA THR 11 HA THR 11 5.811 -6.650 5.560 82 HB THR 11 HB THR 11 5.365 -8.605 7.748 83 HG1 THR 11 HG1 THR 11 3.254 -8.268 7.222 84 1HG2 THR 11 1HG2 THR 11 5.269 -6.582 9.205 85 2HG2 THR 11 2HG2 THR 11 5.554 -5.584 7.775 86 3HG2 THR 11 3HG2 THR 11 6.777 -6.733 8.308 87 H ASN 12 H ASN 12 7.716 -6.887 6.711 88 HA ASN 12 HA ASN 12 9.435 -9.016 5.659 89 1HB ASN 12 1HB ASN 12 10.280 -6.670 5.737 90 2HB ASN 12 2HB ASN 12 10.179 -6.710 7.487 91 1HD2 ASN 12 1HD2 ASN 12 12.366 -6.261 7.688 92 2HD2 ASN 12 2HD2 ASN 12 13.577 -7.435 7.383 93 H ALA 13 H ALA 13 7.989 -8.043 8.627 94 HA ALA 13 HA ALA 13 9.420 -9.928 10.230 95 1HB ALA 13 1HB ALA 13 7.126 -8.115 10.958 96 2HB ALA 13 2HB ALA 13 8.841 -7.743 11.145 97 3HB ALA 13 3HB ALA 13 8.111 -9.041 12.089 98 H THR 14 H THR 14 6.644 -10.056 8.240 99 HA THR 14 HA THR 14 5.598 -12.291 9.791 100 HB THR 14 HB THR 14 3.496 -12.021 8.458 101 HG1 THR 14 HG1 THR 14 3.843 -10.963 6.658 102 1HG2 THR 14 1HG2 THR 14 4.391 -9.497 9.870 103 2HG2 THR 14 2HG2 THR 14 3.688 -10.916 10.645 104 3HG2 THR 14 3HG2 THR 14 2.720 -9.950 9.531 105 H ASP 15 H ASP 15 5.430 -14.263 8.834 106 HA ASP 15 HA ASP 15 6.983 -14.550 6.386 107 1HB ASP 15 1HB ASP 15 7.628 -15.946 8.286 108 2HB ASP 15 2HB ASP 15 6.010 -16.629 8.351 109 H PHE 16 H PHE 16 3.760 -14.965 7.586 110 HA PHE 16 HA PHE 16 2.980 -16.201 5.055 111 1HB PHE 16 1HB PHE 16 1.425 -16.026 7.634 112 2HB PHE 16 2HB PHE 16 0.944 -16.901 6.193 113 HD1 PHE 16 HD1 PHE 16 2.751 -17.063 9.265 114 HD2 PHE 16 HD2 PHE 16 2.436 -18.813 5.403 115 HE1 PHE 16 HE1 PHE 16 3.951 -19.050 10.074 116 HE2 PHE 16 HE2 PHE 16 3.633 -20.801 6.204 117 HZ PHE 16 HZ PHE 16 4.390 -20.926 8.542 118 HA PRO 17 HA PRO 17 1.287 -12.102 4.044 119 1HB PRO 17 1HB PRO 17 0.469 -13.496 1.584 120 2HB PRO 17 2HB PRO 17 1.509 -12.084 1.765 121 1HG PRO 17 1HG PRO 17 2.498 -14.467 1.043 122 2HG PRO 17 2HG PRO 17 3.409 -13.355 2.079 123 1HD PRO 17 1HD PRO 17 1.845 -15.797 2.845 124 2HD PRO 17 2HD PRO 17 3.428 -15.222 3.424 125 H MET 18 H MET 18 -0.809 -11.295 3.895 126 HA MET 18 HA MET 18 -2.985 -13.280 4.183 127 1HB MET 18 1HB MET 18 -2.778 -10.558 5.498 128 2HB MET 18 2HB MET 18 -4.173 -11.613 5.579 129 1HG MET 18 1HG MET 18 -2.847 -13.257 6.806 130 2HG MET 18 2HG MET 18 -1.447 -12.180 6.731 131 1HE MET 18 1HE MET 18 -2.577 -13.350 9.494 132 2HE MET 18 2HE MET 18 -2.488 -11.906 10.503 133 3HE MET 18 3HE MET 18 -1.190 -12.271 9.364 134 H GLU 19 H GLU 19 -4.638 -13.015 2.771 135 HA GLU 19 HA GLU 19 -4.490 -10.634 1.110 136 1HB GLU 19 1HB GLU 19 -5.962 -11.869 -0.473 137 2HB GLU 19 2HB GLU 19 -4.408 -12.634 -0.198 138 1HG GLU 19 1HG GLU 19 -5.413 -14.303 1.204 139 2HG GLU 19 2HG GLU 19 -6.968 -13.474 1.143 140 H LYS 20 H LYS 20 -5.983 -9.138 1.182 141 HA LYS 20 HA LYS 20 -8.589 -9.762 2.287 142 1HB LYS 20 1HB LYS 20 -7.175 -9.066 4.231 143 2HB LYS 20 2HB LYS 20 -6.944 -7.511 3.430 144 1HG LYS 20 1HG LYS 20 -9.372 -7.190 3.397 145 2HG LYS 20 2HG LYS 20 -9.551 -8.719 4.257 146 1HD LYS 20 1HD LYS 20 -8.312 -7.807 6.125 147 2HD LYS 20 2HD LYS 20 -8.106 -6.313 5.184 148 1HE LYS 20 1HE LYS 20 -10.762 -7.487 5.999 149 2HE LYS 20 2HE LYS 20 -9.973 -6.158 6.843 150 1HZ LYS 20 1HZ LYS 20 -10.179 -4.796 4.865 151 2HZ LYS 20 2HZ LYS 20 -11.680 -5.387 5.255 152 3HZ LYS 20 3HZ LYS 20 -10.848 -6.053 3.967 153 H LYS 21 H LYS 21 -10.147 -8.321 1.653 154 HA LYS 21 HA LYS 21 -9.394 -6.797 -0.687 155 1HB LYS 21 1HB LYS 21 -11.178 -8.518 -0.734 156 2HB LYS 21 2HB LYS 21 -12.098 -7.571 0.419 157 1HG LYS 21 1HG LYS 21 -12.266 -5.758 -1.200 158 2HG LYS 21 2HG LYS 21 -11.332 -6.707 -2.364 159 1HD LYS 21 1HD LYS 21 -14.030 -7.438 -1.202 160 2HD LYS 21 2HD LYS 21 -13.714 -6.877 -2.837 161 1HE LYS 21 1HE LYS 21 -12.361 -8.871 -3.283 162 2HE LYS 21 2HE LYS 21 -12.635 -9.436 -1.644 163 1HZ LYS 21 1HZ LYS 21 -14.077 -10.517 -3.217 164 2HZ LYS 21 2HZ LYS 21 -14.751 -9.036 -3.675 165 3HZ LYS 21 3HZ LYS 21 -14.979 -9.620 -2.114 166 H TYR 22 H TYR 22 -9.585 -4.644 -0.753 167 HA TYR 22 HA TYR 22 -10.749 -3.234 1.528 168 1HB TYR 22 1HB TYR 22 -8.083 -2.622 0.222 169 2HB TYR 22 2HB TYR 22 -8.917 -1.515 1.289 170 HD1 TYR 22 HD1 TYR 22 -6.896 -4.546 1.080 171 HD2 TYR 22 HD2 TYR 22 -9.074 -1.984 3.681 172 HE1 TYR 22 HE1 TYR 22 -5.746 -5.537 3.005 173 HE2 TYR 22 HE2 TYR 22 -7.929 -2.973 5.618 174 HH TYR 22 HH TYR 22 -5.188 -4.946 5.320 175 HA PRO 23 HA PRO 23 -12.764 -0.863 -1.671 176 1HB PRO 23 1HB PRO 23 -12.463 1.500 0.065 177 2HB PRO 23 2HB PRO 23 -13.932 0.740 -0.542 178 1HG PRO 23 1HG PRO 23 -13.225 0.545 2.032 179 2HG PRO 23 2HG PRO 23 -14.009 -0.791 1.172 180 1HD PRO 23 1HD PRO 23 -11.131 -0.439 1.892 181 2HD PRO 23 2HD PRO 23 -12.147 -1.897 1.922 182 H ALA 24 H ALA 24 -12.199 0.459 -3.333 183 HA ALA 24 HA ALA 24 -9.506 1.212 -3.717 184 1HB ALA 24 1HB ALA 24 -10.271 2.293 -5.759 185 2HB ALA 24 2HB ALA 24 -11.940 2.189 -5.195 186 3HB ALA 24 3HB ALA 24 -11.035 0.722 -5.553 187 H GLY 25 H GLY 25 -12.078 2.809 -2.294 188 1HA GLY 25 1HA GLY 25 -10.815 5.455 -2.387 189 2HA GLY 25 2HA GLY 25 -12.413 5.108 -1.737 190 H MET 26 H MET 26 -10.257 2.863 -0.601 191 HA MET 26 HA MET 26 -10.339 3.766 2.106 192 1HB MET 26 1HB MET 26 -10.300 1.463 1.460 193 2HB MET 26 2HB MET 26 -8.709 1.641 0.723 194 1HG MET 26 1HG MET 26 -8.479 0.488 2.792 195 2HG MET 26 2HG MET 26 -7.855 2.118 3.024 196 1HE MET 26 1HE MET 26 -8.760 -0.081 5.257 197 2HE MET 26 2HE MET 26 -9.459 1.018 6.450 198 3HE MET 26 3HE MET 26 -7.964 1.449 5.622 199 H SER 27 H SER 27 -8.645 4.557 3.349 200 HA SER 27 HA SER 27 -6.420 5.858 1.893 201 1HB SER 27 1HB SER 27 -5.986 6.936 4.039 202 2HB SER 27 2HB SER 27 -7.606 7.302 3.489 203 HG SER 27 HG SER 27 -8.415 6.139 5.065 204 H LEU 28 H LEU 28 -4.442 5.413 2.149 205 HA LEU 28 HA LEU 28 -3.657 2.829 2.878 206 1HB LEU 28 1HB LEU 28 -2.574 4.670 1.397 207 2HB LEU 28 2HB LEU 28 -1.905 5.258 2.867 208 HG LEU 28 HG LEU 28 -0.271 3.924 1.558 209 1HD1 LEU 28 1HD1 LEU 28 0.620 2.633 3.360 210 2HD1 LEU 28 2HD1 LEU 28 -0.930 2.696 4.202 211 3HD1 LEU 28 3HD1 LEU 28 0.001 4.175 3.963 212 1HD2 LEU 28 1HD2 LEU 28 -0.468 1.495 1.489 213 2HD2 LEU 28 2HD2 LEU 28 -1.786 2.274 0.616 214 3HD2 LEU 28 3HD2 LEU 28 -2.066 1.597 2.223 215 H ASN 29 H ASN 29 -3.935 5.812 4.601 216 HA ASN 29 HA ASN 29 -2.393 5.041 6.935 217 1HB ASN 29 1HB ASN 29 -4.309 7.337 6.561 218 2HB ASN 29 2HB ASN 29 -3.478 7.022 8.080 219 1HD2 ASN 29 1HD2 ASN 29 -3.304 9.330 6.293 220 2HD2 ASN 29 2HD2 ASN 29 -1.634 9.427 5.859 221 H ASP 30 H ASP 30 -5.866 4.949 6.260 222 HA ASP 30 HA ASP 30 -6.490 4.138 8.929 223 1HB ASP 30 1HB ASP 30 -8.097 5.105 7.081 224 2HB ASP 30 2HB ASP 30 -8.081 3.493 6.492 225 H LEU 31 H LEU 31 -5.488 2.655 6.059 226 HA LEU 31 HA LEU 31 -6.133 -0.120 6.679 227 1HB LEU 31 1HB LEU 31 -5.712 1.150 4.385 228 2HB LEU 31 2HB LEU 31 -4.044 0.913 4.769 229 HG LEU 31 HG LEU 31 -6.021 -1.337 4.326 230 1HD1 LEU 31 1HD1 LEU 31 -4.853 -1.669 2.214 231 2HD1 LEU 31 2HD1 LEU 31 -3.891 -0.223 2.521 232 3HD1 LEU 31 3HD1 LEU 31 -5.636 -0.092 2.296 233 1HD2 LEU 31 1HD2 LEU 31 -4.182 -1.981 5.775 234 2HD2 LEU 31 2HD2 LEU 31 -3.018 -1.379 4.590 235 3HD2 LEU 31 3HD2 LEU 31 -4.041 -2.764 4.204 236 H LYS 32 H LYS 32 -3.281 1.985 6.871 237 HA LYS 32 HA LYS 32 -1.485 0.119 8.023 238 1HB LYS 32 1HB LYS 32 -1.689 3.074 8.667 239 2HB LYS 32 2HB LYS 32 -0.343 2.017 9.051 240 1HG LYS 32 1HG LYS 32 -0.022 1.687 6.603 241 2HG LYS 32 2HG LYS 32 -1.288 2.856 6.352 242 1HD LYS 32 1HD LYS 32 0.910 3.949 6.168 243 2HD LYS 32 2HD LYS 32 -0.043 4.598 7.500 244 1HE LYS 32 1HE LYS 32 1.236 3.274 9.095 245 2HE LYS 32 2HE LYS 32 2.139 2.528 7.776 246 1HZ LYS 32 1HZ LYS 32 2.164 5.423 8.459 247 2HZ LYS 32 2HZ LYS 32 3.080 4.712 7.250 248 3HZ LYS 32 3HZ LYS 32 3.381 4.339 8.862 249 H LYS 33 H LYS 33 -3.816 2.294 9.534 250 HA LYS 33 HA LYS 33 -3.288 1.708 12.235 251 1HB LYS 33 1HB LYS 33 -4.844 3.462 11.005 252 2HB LYS 33 2HB LYS 33 -6.031 2.195 11.137 253 1HG LYS 33 1HG LYS 33 -6.307 3.742 12.947 254 2HG LYS 33 2HG LYS 33 -5.750 2.189 13.578 255 1HD LYS 33 1HD LYS 33 -4.589 4.101 14.603 256 2HD LYS 33 2HD LYS 33 -3.472 3.033 13.764 257 1HE LYS 33 1HE LYS 33 -2.916 5.370 13.307 258 2HE LYS 33 2HE LYS 33 -3.465 4.610 11.829 259 1HZ LYS 33 1HZ LYS 33 -5.644 5.663 12.160 260 2HZ LYS 33 2HZ LYS 33 -4.401 6.806 12.130 261 3HZ LYS 33 3HZ LYS 33 -5.086 6.351 13.599 262 H LYS 34 H LYS 34 -5.271 -0.034 9.822 263 HA LYS 34 HA LYS 34 -6.338 -1.902 11.597 264 1HB LYS 34 1HB LYS 34 -6.001 -1.342 8.752 265 2HB LYS 34 2HB LYS 34 -6.641 -2.879 9.053 266 1HG LYS 34 1HG LYS 34 -7.779 -0.158 9.674 267 2HG LYS 34 2HG LYS 34 -8.436 -1.381 8.588 268 1HD LYS 34 1HD LYS 34 -8.908 -2.824 10.553 269 2HD LYS 34 2HD LYS 34 -8.310 -1.547 11.603 270 1HE LYS 34 1HE LYS 34 -10.051 -0.046 10.804 271 2HE LYS 34 2HE LYS 34 -10.633 -1.303 9.716 272 1HZ LYS 34 1HZ LYS 34 -11.172 -2.662 11.637 273 2HZ LYS 34 2HZ LYS 34 -11.947 -1.170 11.753 274 3HZ LYS 34 3HZ LYS 34 -10.609 -1.472 12.684 275 H LEU 35 H LEU 35 -3.560 -1.791 9.356 276 HA LEU 35 HA LEU 35 -2.723 -4.417 9.817 277 1HB LEU 35 1HB LEU 35 -1.405 -1.956 8.816 278 2HB LEU 35 2HB LEU 35 -0.557 -3.465 8.817 279 HG LEU 35 HG LEU 35 -2.971 -2.662 7.228 280 1HD1 LEU 35 1HD1 LEU 35 -0.847 -1.943 6.327 281 2HD1 LEU 35 2HD1 LEU 35 -1.560 -3.190 5.307 282 3HD1 LEU 35 3HD1 LEU 35 -0.230 -3.594 6.395 283 1HD2 LEU 35 1HD2 LEU 35 -1.774 -5.422 7.455 284 2HD2 LEU 35 2HD2 LEU 35 -2.964 -4.926 6.251 285 3HD2 LEU 35 3HD2 LEU 35 -3.399 -4.934 7.956 286 H GLU 36 H GLU 36 -1.984 -1.347 11.360 287 HA GLU 36 HA GLU 36 0.054 -2.010 13.056 288 1HB GLU 36 1HB GLU 36 -2.280 -0.205 13.123 289 2HB GLU 36 2HB GLU 36 -1.299 -0.207 14.534 290 1HG GLU 36 1HG GLU 36 0.629 0.428 13.070 291 2HG GLU 36 2HG GLU 36 -0.508 0.521 11.726 292 H LEU 37 H LEU 37 -3.344 -2.736 13.213 293 HA LEU 37 HA LEU 37 -3.321 -3.636 15.923 294 1HB LEU 37 1HB LEU 37 -5.357 -2.730 14.679 295 2HB LEU 37 2HB LEU 37 -5.297 -4.166 13.727 296 HG LEU 37 HG LEU 37 -5.775 -5.575 15.659 297 1HD1 LEU 37 1HD1 LEU 37 -6.434 -4.586 17.786 298 2HD1 LEU 37 2HD1 LEU 37 -5.982 -2.988 17.189 299 3HD1 LEU 37 3HD1 LEU 37 -4.750 -4.231 17.407 300 1HD2 LEU 37 1HD2 LEU 37 -7.615 -4.736 14.304 301 2HD2 LEU 37 2HD2 LEU 37 -7.694 -3.283 15.302 302 3HD2 LEU 37 3HD2 LEU 37 -8.095 -4.852 16.000 303 H VAL 38 H VAL 38 -2.861 -5.069 12.802 304 HA VAL 38 HA VAL 38 -3.038 -7.789 13.803 305 HB VAL 38 HB VAL 38 -2.292 -6.773 11.049 306 1HG1 VAL 38 1HG1 VAL 38 -3.051 -9.555 11.940 307 2HG1 VAL 38 2HG1 VAL 38 -1.452 -9.021 11.426 308 3HG1 VAL 38 3HG1 VAL 38 -2.785 -9.043 10.273 309 1HG2 VAL 38 1HG2 VAL 38 -4.556 -6.130 11.654 310 2HG2 VAL 38 2HG2 VAL 38 -4.930 -7.796 12.093 311 3HG2 VAL 38 3HG2 VAL 38 -4.578 -7.384 10.414 312 H VAL 39 H VAL 39 -0.544 -5.590 12.600 313 HA VAL 39 HA VAL 39 1.531 -7.612 12.979 314 HB VAL 39 HB VAL 39 1.866 -4.771 11.978 315 1HG1 VAL 39 1HG1 VAL 39 3.936 -5.815 12.731 316 2HG1 VAL 39 2HG1 VAL 39 3.939 -5.618 10.978 317 3HG1 VAL 39 3HG1 VAL 39 3.633 -7.203 11.686 318 1HG2 VAL 39 1HG2 VAL 39 0.304 -5.946 10.525 319 2HG2 VAL 39 2HG2 VAL 39 1.431 -7.290 10.366 320 3HG2 VAL 39 3HG2 VAL 39 1.845 -5.708 9.702 321 H GLY 40 H GLY 40 0.236 -4.888 14.724 322 1HA GLY 40 1HA GLY 40 0.706 -4.414 16.927 323 2HA GLY 40 2HA GLY 40 2.083 -5.506 16.862 324 H THR 41 H THR 41 2.233 -3.565 14.246 325 HA THR 41 HA THR 41 4.415 -2.009 15.367 326 HB THR 41 HB THR 41 3.262 -1.802 12.588 327 HG1 THR 41 HG1 THR 41 4.472 -3.863 13.917 328 1HG2 THR 41 1HG2 THR 41 5.050 -0.177 13.158 329 2HG2 THR 41 2HG2 THR 41 5.603 -1.342 11.957 330 3HG2 THR 41 3HG2 THR 41 6.093 -1.519 13.637 331 H THR 42 H THR 42 4.453 0.464 14.640 332 HA THR 42 HA THR 42 1.864 1.664 15.244 333 HB THR 42 HB THR 42 3.233 3.593 16.072 334 HG1 THR 42 HG1 THR 42 5.451 3.155 16.427 335 1HG2 THR 42 1HG2 THR 42 2.363 1.923 17.656 336 2HG2 THR 42 2HG2 THR 42 3.943 2.520 18.170 337 3HG2 THR 42 3HG2 THR 42 3.804 0.939 17.402 338 H VAL 43 H VAL 43 2.021 4.109 14.388 339 HA VAL 43 HA VAL 43 1.851 3.873 11.571 340 HB VAL 43 HB VAL 43 1.992 6.450 13.150 341 1HG1 VAL 43 1HG1 VAL 43 0.830 5.880 10.438 342 2HG1 VAL 43 2HG1 VAL 43 2.293 6.801 10.781 343 3HG1 VAL 43 3HG1 VAL 43 0.721 7.417 11.296 344 1HG2 VAL 43 1HG2 VAL 43 -0.423 4.812 12.408 345 2HG2 VAL 43 2HG2 VAL 43 -0.454 6.404 13.169 346 3HG2 VAL 43 3HG2 VAL 43 0.235 5.025 14.027 347 H ASP 44 H ASP 44 4.305 5.479 13.554 348 HA ASP 44 HA ASP 44 5.664 6.521 11.222 349 1HB ASP 44 1HB ASP 44 5.613 7.727 13.383 350 2HB ASP 44 2HB ASP 44 6.597 6.442 14.074 351 H SER 45 H SER 45 6.051 3.764 13.385 352 HA SER 45 HA SER 45 8.625 3.140 12.473 353 1HB SER 45 1HB SER 45 6.598 1.612 14.058 354 2HB SER 45 2HB SER 45 8.324 1.277 13.916 355 HG SER 45 HG SER 45 8.417 3.647 14.663 356 H MET 46 H MET 46 5.589 2.773 11.213 357 HA MET 46 HA MET 46 6.261 0.269 9.821 358 1HB MET 46 1HB MET 46 4.116 0.363 11.055 359 2HB MET 46 2HB MET 46 3.618 1.683 10.015 360 1HG MET 46 1HG MET 46 3.769 0.213 8.081 361 2HG MET 46 2HG MET 46 4.224 -1.120 9.144 362 1HE MET 46 1HE MET 46 1.933 -1.369 7.155 363 2HE MET 46 2HE MET 46 0.612 -2.027 8.104 364 3HE MET 46 3HE MET 46 2.247 -2.652 8.325 365 H ARG 47 H ARG 47 7.198 0.602 7.935 366 HA ARG 47 HA ARG 47 6.257 2.831 6.290 367 1HB ARG 47 1HB ARG 47 8.643 2.976 6.796 368 2HB ARG 47 2HB ARG 47 8.888 1.335 6.229 369 1HG ARG 47 1HG ARG 47 8.413 1.980 3.973 370 2HG ARG 47 2HG ARG 47 7.947 3.600 4.489 371 1HD ARG 47 1HD ARG 47 10.197 3.541 3.531 372 2HD ARG 47 2HD ARG 47 10.207 4.053 5.213 373 HE ARG 47 HE ARG 47 10.723 1.455 5.470 374 1HH1 ARG 47 1HH1 ARG 47 12.029 3.756 3.126 375 2HH1 ARG 47 2HH1 ARG 47 13.613 3.126 3.186 376 1HH2 ARG 47 1HH2 ARG 47 12.941 0.572 5.524 377 2HH2 ARG 47 2HH2 ARG 47 14.123 1.321 4.544 378 H ILE 48 H ILE 48 5.630 2.406 4.151 379 HA ILE 48 HA ILE 48 5.174 -0.434 3.658 380 HB ILE 48 HB ILE 48 3.226 1.837 3.394 381 1HG1 ILE 48 1HG1 ILE 48 3.132 -0.819 4.839 382 2HG1 ILE 48 2HG1 ILE 48 3.344 0.767 5.571 383 1HG2 ILE 48 1HG2 ILE 48 1.640 0.307 2.324 384 2HG2 ILE 48 2HG2 ILE 48 2.912 -0.913 2.215 385 3HG2 ILE 48 3HG2 ILE 48 3.063 0.598 1.317 386 1HD1 ILE 48 1HD1 ILE 48 1.078 -0.065 5.870 387 2HD1 ILE 48 2HD1 ILE 48 0.888 -0.192 4.120 388 3HD1 ILE 48 3HD1 ILE 48 1.108 1.387 4.877 389 H GLN 49 H GLN 49 5.593 -1.218 1.801 390 HA GLN 49 HA GLN 49 6.237 0.521 -0.440 391 1HB GLN 49 1HB GLN 49 7.199 -2.268 0.201 392 2HB GLN 49 2HB GLN 49 7.408 -1.547 -1.381 393 1HG GLN 49 1HG GLN 49 9.441 -1.384 -0.189 394 2HG GLN 49 2HG GLN 49 8.763 0.228 -0.303 395 1HE2 GLN 49 1HE2 GLN 49 9.972 0.916 1.396 396 2HE2 GLN 49 2HE2 GLN 49 9.646 0.481 3.038 397 H LEU 50 H LEU 50 5.344 -0.109 -2.461 398 HA LEU 50 HA LEU 50 3.115 -2.038 -2.289 399 1HB LEU 50 1HB LEU 50 2.363 0.243 -2.663 400 2HB LEU 50 2HB LEU 50 3.406 0.372 -4.066 401 HG LEU 50 HG LEU 50 2.060 -1.555 -5.060 402 1HD1 LEU 50 1HD1 LEU 50 1.082 -2.435 -3.142 403 2HD1 LEU 50 2HD1 LEU 50 -0.154 -1.913 -4.290 404 3HD1 LEU 50 3HD1 LEU 50 0.197 -0.935 -2.863 405 1HD2 LEU 50 1HD2 LEU 50 0.241 -0.094 -5.814 406 2HD2 LEU 50 2HD2 LEU 50 1.801 0.718 -5.858 407 3HD2 LEU 50 3HD2 LEU 50 0.667 1.071 -4.558 408 H PHE 51 H PHE 51 3.184 -3.717 -3.648 409 HA PHE 51 HA PHE 51 5.018 -3.560 -5.934 410 1HB PHE 51 1HB PHE 51 4.325 -5.977 -4.252 411 2HB PHE 51 2HB PHE 51 5.227 -6.041 -5.748 412 HD1 PHE 51 HD1 PHE 51 5.320 -4.844 -2.248 413 HD2 PHE 51 HD2 PHE 51 7.540 -5.641 -5.780 414 HE1 PHE 51 HE1 PHE 51 7.421 -4.595 -0.988 415 HE2 PHE 51 HE2 PHE 51 9.636 -5.392 -4.534 416 HZ PHE 51 HZ PHE 51 9.582 -4.867 -2.135 417 H ASP 52 H ASP 52 4.300 -4.718 -7.814 418 HA ASP 52 HA ASP 52 1.556 -4.479 -8.408 419 1HB ASP 52 1HB ASP 52 3.861 -5.820 -9.755 420 2HB ASP 52 2HB ASP 52 2.250 -5.960 -10.379 421 H GLY 53 H GLY 53 0.640 -6.474 -9.621 422 1HA GLY 53 1HA GLY 53 0.625 -8.771 -7.799 423 2HA GLY 53 2HA GLY 53 -0.568 -8.446 -9.071 424 H ASP 54 H ASP 54 2.892 -8.635 -8.829 425 HA ASP 54 HA ASP 54 3.099 -10.410 -11.135 426 1HB ASP 54 1HB ASP 54 2.980 -8.156 -12.113 427 2HB ASP 54 2HB ASP 54 4.248 -7.610 -11.036 428 H ASP 55 H ASP 55 5.106 -8.120 -9.285 429 HA ASP 55 HA ASP 55 6.506 -9.781 -7.622 430 1HB ASP 55 1HB ASP 55 7.332 -10.949 -9.611 431 2HB ASP 55 2HB ASP 55 7.873 -9.437 -10.310 432 H GLN 56 H GLN 56 6.865 -7.339 -10.031 433 HA GLN 56 HA GLN 56 8.972 -5.838 -8.966 434 1HB GLN 56 1HB GLN 56 6.871 -5.049 -10.914 435 2HB GLN 56 2HB GLN 56 8.378 -4.212 -10.632 436 1HG GLN 56 1HG GLN 56 9.688 -6.010 -11.435 437 2HG GLN 56 2HG GLN 56 8.296 -7.090 -11.474 438 1HE2 GLN 56 1HE2 GLN 56 6.866 -6.979 -13.153 439 2HE2 GLN 56 2HE2 GLN 56 7.196 -6.048 -14.573 440 H LEU 57 H LEU 57 9.110 -3.902 -8.166 441 HA LEU 57 HA LEU 57 7.184 -3.077 -6.165 442 1HB LEU 57 1HB LEU 57 9.557 -3.212 -5.633 443 2HB LEU 57 2HB LEU 57 9.932 -2.058 -6.890 444 HG LEU 57 HG LEU 57 8.671 -0.328 -5.594 445 1HD1 LEU 57 1HD1 LEU 57 7.214 -1.777 -4.325 446 2HD1 LEU 57 2HD1 LEU 57 8.171 -0.750 -3.257 447 3HD1 LEU 57 3HD1 LEU 57 8.603 -2.449 -3.470 448 1HD2 LEU 57 1HD2 LEU 57 10.390 -0.016 -3.882 449 2HD2 LEU 57 2HD2 LEU 57 11.097 -0.466 -5.432 450 3HD2 LEU 57 3HD2 LEU 57 10.949 -1.665 -4.142 451 H LYS 58 H LYS 58 5.829 -1.381 -6.340 452 HA LYS 58 HA LYS 58 5.903 0.330 -8.680 453 1HB LYS 58 1HB LYS 58 4.039 0.104 -6.323 454 2HB LYS 58 2HB LYS 58 3.953 1.461 -7.432 455 1HG LYS 58 1HG LYS 58 3.632 -1.429 -8.217 456 2HG LYS 58 2HG LYS 58 2.301 -0.299 -7.923 457 1HD LYS 58 1HD LYS 58 3.224 1.176 -9.672 458 2HD LYS 58 2HD LYS 58 4.448 -0.036 -10.028 459 1HE LYS 58 1HE LYS 58 2.623 -1.635 -10.552 460 2HE LYS 58 2HE LYS 58 1.468 -0.322 -10.296 461 1HZ LYS 58 1HZ LYS 58 3.610 -0.382 -12.340 462 2HZ LYS 58 2HZ LYS 58 2.548 0.906 -12.067 463 3HZ LYS 58 3HZ LYS 58 1.954 -0.567 -12.624 464 H GLY 59 H GLY 59 6.339 0.570 -5.192 465 1HA GLY 59 1HA GLY 59 8.413 2.251 -5.125 466 2HA GLY 59 2HA GLY 59 7.045 3.338 -5.350 467 H GLU 60 H GLU 60 7.770 4.145 -3.230 468 HA GLU 60 HA GLU 60 6.985 2.439 -1.020 469 1HB GLU 60 1HB GLU 60 9.273 3.419 -1.050 470 2HB GLU 60 2HB GLU 60 8.565 5.016 -1.111 471 1HG GLU 60 1HG GLU 60 7.609 4.696 1.099 472 2HG GLU 60 2HG GLU 60 8.257 3.055 1.149 473 H LEU 61 H LEU 61 5.101 2.844 -0.130 474 HA LEU 61 HA LEU 61 3.566 5.238 -0.883 475 1HB LEU 61 1HB LEU 61 2.703 2.702 0.521 476 2HB LEU 61 2HB LEU 61 1.657 4.046 0.122 477 HG LEU 61 HG LEU 61 3.032 2.244 -1.860 478 1HD1 LEU 61 1HD1 LEU 61 0.741 1.481 -2.323 479 2HD1 LEU 61 2HD1 LEU 61 0.150 2.492 -1.005 480 3HD1 LEU 61 3HD1 LEU 61 1.228 1.139 -0.665 481 1HD2 LEU 61 1HD2 LEU 61 1.081 4.512 -2.257 482 2HD2 LEU 61 2HD2 LEU 61 1.637 3.417 -3.515 483 3HD2 LEU 61 3HD2 LEU 61 2.779 4.513 -2.734 484 H THR 62 H THR 62 2.217 4.229 1.701 485 HA THR 62 HA THR 62 1.984 4.691 3.846 486 HB THR 62 HB THR 62 4.563 4.311 4.122 487 HG1 THR 62 HG1 THR 62 3.819 6.140 6.054 488 1HG2 THR 62 1HG2 THR 62 5.883 6.292 4.801 489 2HG2 THR 62 2HG2 THR 62 4.527 7.345 4.367 490 3HG2 THR 62 3HG2 THR 62 5.365 6.421 3.121 491 H ASP 63 H ASP 63 1.805 6.640 1.491 492 HA ASP 63 HA ASP 63 1.597 9.278 2.389 493 1HB ASP 63 1HB ASP 63 -0.209 7.921 0.362 494 2HB ASP 63 2HB ASP 63 0.101 9.640 0.573 495 H GLY 64 H GLY 64 -1.183 7.232 1.660 496 1HA GLY 64 1HA GLY 64 -3.153 6.819 2.658 497 2HA GLY 64 2HA GLY 64 -2.616 7.417 4.181 498 H ALA 65 H ALA 65 -2.050 10.018 2.419 499 HA ALA 65 HA ALA 65 -4.686 11.127 2.856 500 1HB ALA 65 1HB ALA 65 -3.686 13.241 2.141 501 2HB ALA 65 2HB ALA 65 -2.229 12.384 1.642 502 3HB ALA 65 3HB ALA 65 -2.675 12.447 3.349 503 H LYS 66 H LYS 66 -3.475 9.262 0.622 504 HA LYS 66 HA LYS 66 -5.159 10.275 -1.553 505 1HB LYS 66 1HB LYS 66 -2.666 8.540 -1.771 506 2HB LYS 66 2HB LYS 66 -3.667 9.033 -3.112 507 1HG LYS 66 1HG LYS 66 -1.624 10.284 -3.169 508 2HG LYS 66 2HG LYS 66 -2.911 11.393 -2.713 509 1HD LYS 66 1HD LYS 66 -2.221 11.228 -0.362 510 2HD LYS 66 2HD LYS 66 -1.008 10.039 -0.838 511 1HE LYS 66 1HE LYS 66 -1.046 12.868 -1.866 512 2HE LYS 66 2HE LYS 66 -0.138 12.389 -0.437 513 1HZ LYS 66 1HZ LYS 66 1.238 12.426 -2.425 514 2HZ LYS 66 2HZ LYS 66 0.261 11.300 -3.186 515 3HZ LYS 66 3HZ LYS 66 1.142 10.864 -1.811 516 H SER 67 H SER 67 -6.277 8.402 -2.680 517 HA SER 67 HA SER 67 -6.906 6.374 -0.768 518 1HB SER 67 1HB SER 67 -8.522 5.742 -2.558 519 2HB SER 67 2HB SER 67 -8.760 7.347 -1.882 520 HG SER 67 HG SER 67 -8.094 8.234 -3.734 521 H LEU 68 H LEU 68 -7.230 4.225 -1.803 522 HA LEU 68 HA LEU 68 -4.708 3.217 -2.628 523 1HB LEU 68 1HB LEU 68 -7.418 1.924 -2.787 524 2HB LEU 68 2HB LEU 68 -5.919 1.086 -3.091 525 HG LEU 68 HG LEU 68 -6.835 2.269 -0.465 526 1HD1 LEU 68 1HD1 LEU 68 -7.949 0.202 -1.046 527 2HD1 LEU 68 2HD1 LEU 68 -6.831 -0.051 0.296 528 3HD1 LEU 68 3HD1 LEU 68 -6.394 -0.576 -1.331 529 1HD2 LEU 68 1HD2 LEU 68 -4.797 1.289 0.499 530 2HD2 LEU 68 2HD2 LEU 68 -4.422 2.543 -0.674 531 3HD2 LEU 68 3HD2 LEU 68 -4.252 0.842 -1.116 532 H LYS 69 H LYS 69 -7.484 4.260 -4.318 533 HA LYS 69 HA LYS 69 -6.807 3.193 -6.875 534 1HB LYS 69 1HB LYS 69 -9.095 3.882 -6.347 535 2HB LYS 69 2HB LYS 69 -8.569 5.548 -6.172 536 1HG LYS 69 1HG LYS 69 -7.890 5.539 -8.561 537 2HG LYS 69 2HG LYS 69 -8.554 3.914 -8.705 538 1HD LYS 69 1HD LYS 69 -10.110 6.377 -7.909 539 2HD LYS 69 2HD LYS 69 -10.103 5.657 -9.516 540 1HE LYS 69 1HE LYS 69 -11.071 3.606 -8.596 541 2HE LYS 69 2HE LYS 69 -11.048 4.313 -6.984 542 1HZ LYS 69 1HZ LYS 69 -12.539 6.032 -7.759 543 2HZ LYS 69 2HZ LYS 69 -13.241 4.514 -7.990 544 3HZ LYS 69 3HZ LYS 69 -12.591 5.354 -9.296 545 H ASP 70 H ASP 70 -6.308 6.274 -5.246 546 HA ASP 70 HA ASP 70 -5.160 7.587 -7.506 547 1HB ASP 70 1HB ASP 70 -6.366 8.644 -5.608 548 2HB ASP 70 2HB ASP 70 -4.979 8.306 -4.609 549 H LEU 71 H LEU 71 -4.016 5.837 -4.796 550 HA LEU 71 HA LEU 71 -1.228 6.463 -5.140 551 1HB LEU 71 1HB LEU 71 -2.566 4.261 -3.593 552 2HB LEU 71 2HB LEU 71 -0.832 4.476 -3.641 553 HG LEU 71 HG LEU 71 -2.808 6.481 -2.519 554 1HD1 LEU 71 1HD1 LEU 71 -2.625 4.469 -1.157 555 2HD1 LEU 71 2HD1 LEU 71 -1.883 5.863 -0.375 556 3HD1 LEU 71 3HD1 LEU 71 -0.869 4.639 -1.139 557 1HD2 LEU 71 1HD2 LEU 71 0.211 6.453 -2.579 558 2HD2 LEU 71 2HD2 LEU 71 -0.783 7.595 -1.690 559 3HD2 LEU 71 3HD2 LEU 71 -0.841 7.571 -3.450 560 H GLY 72 H GLY 72 -3.288 4.408 -6.825 561 1HA GLY 72 1HA GLY 72 -2.711 3.252 -8.774 562 2HA GLY 72 2HA GLY 72 -1.016 3.402 -8.333 563 H VAL 73 H VAL 73 -3.344 2.242 -6.060 564 HA VAL 73 HA VAL 73 -2.071 -0.380 -6.053 565 HB VAL 73 HB VAL 73 -4.215 0.758 -4.221 566 1HG1 VAL 73 1HG1 VAL 73 -4.181 -1.665 -4.209 567 2HG1 VAL 73 2HG1 VAL 73 -3.579 -1.040 -2.674 568 3HG1 VAL 73 3HG1 VAL 73 -2.448 -1.660 -3.880 569 1HG2 VAL 73 1HG2 VAL 73 -1.240 0.621 -3.756 570 2HG2 VAL 73 2HG2 VAL 73 -2.438 1.127 -2.564 571 3HG2 VAL 73 3HG2 VAL 73 -2.185 2.085 -4.022 572 H ARG 74 H ARG 74 -3.242 -2.196 -6.667 573 HA ARG 74 HA ARG 74 -6.044 -1.859 -7.412 574 1HB ARG 74 1HB ARG 74 -3.901 -3.029 -9.192 575 2HB ARG 74 2HB ARG 74 -5.623 -3.134 -9.507 576 1HG ARG 74 1HG ARG 74 -5.751 -0.747 -9.787 577 2HG ARG 74 2HG ARG 74 -4.056 -0.573 -9.326 578 1HD ARG 74 1HD ARG 74 -3.395 -1.905 -11.254 579 2HD ARG 74 2HD ARG 74 -5.089 -2.082 -11.714 580 HE ARG 74 HE ARG 74 -5.072 0.419 -11.863 581 1HH1 ARG 74 1HH1 ARG 74 -2.059 -1.446 -12.396 582 2HH1 ARG 74 2HH1 ARG 74 -1.464 -0.356 -13.547 583 1HH2 ARG 74 1HH2 ARG 74 -4.203 1.879 -13.431 584 2HH2 ARG 74 2HH2 ARG 74 -2.673 1.565 -14.151 585 H ASP 75 H ASP 75 -6.703 -4.251 -8.231 586 HA ASP 75 HA ASP 75 -6.318 -5.879 -5.945 587 1HB ASP 75 1HB ASP 75 -7.658 -7.547 -7.156 588 2HB ASP 75 2HB ASP 75 -8.435 -5.980 -7.022 589 H GLY 76 H GLY 76 -5.317 -7.624 -5.743 590 1HA GLY 76 1HA GLY 76 -3.861 -9.452 -6.306 591 2HA GLY 76 2HA GLY 76 -3.640 -8.720 -7.890 592 H TYR 77 H TYR 77 -3.205 -6.152 -6.201 593 HA TYR 77 HA TYR 77 -0.345 -6.313 -6.259 594 1HB TYR 77 1HB TYR 77 -2.260 -4.118 -5.477 595 2HB TYR 77 2HB TYR 77 -0.519 -3.953 -5.315 596 HD1 TYR 77 HD1 TYR 77 0.218 -2.451 -6.895 597 HD2 TYR 77 HD2 TYR 77 -2.662 -5.348 -8.066 598 HE1 TYR 77 HE1 TYR 77 0.361 -1.651 -9.205 599 HE2 TYR 77 HE2 TYR 77 -2.524 -4.549 -10.386 600 HH TYR 77 HH TYR 77 -0.076 -2.529 -11.481 601 H ARG 78 H ARG 78 1.026 -6.149 -4.551 602 HA ARG 78 HA ARG 78 -0.225 -6.892 -2.035 603 1HB ARG 78 1HB ARG 78 1.887 -8.011 -1.405 604 2HB ARG 78 2HB ARG 78 1.163 -8.701 -2.844 605 1HG ARG 78 1HG ARG 78 2.771 -7.476 -4.224 606 2HG ARG 78 2HG ARG 78 3.465 -6.802 -2.738 607 1HD ARG 78 1HD ARG 78 4.104 -9.004 -1.989 608 2HD ARG 78 2HD ARG 78 3.329 -9.746 -3.384 609 HE ARG 78 HE ARG 78 5.193 -7.885 -4.285 610 1HH1 ARG 78 1HH1 ARG 78 5.138 -11.044 -2.685 611 2HH1 ARG 78 2HH1 ARG 78 6.666 -11.523 -3.256 612 1HH2 ARG 78 1HH2 ARG 78 7.339 -8.562 -5.108 613 2HH2 ARG 78 2HH2 ARG 78 7.925 -10.082 -4.655 614 H ILE 79 H ILE 79 0.239 -5.904 -0.259 615 HA ILE 79 HA ILE 79 1.631 -3.353 -0.477 616 HB ILE 79 HB ILE 79 -0.177 -4.454 1.707 617 1HG1 ILE 79 1HG1 ILE 79 -1.415 -3.957 -0.371 618 2HG1 ILE 79 2HG1 ILE 79 -1.868 -2.896 0.961 619 1HG2 ILE 79 1HG2 ILE 79 -0.187 -2.146 2.600 620 2HG2 ILE 79 2HG2 ILE 79 1.024 -1.727 1.371 621 3HG2 ILE 79 3HG2 ILE 79 1.415 -2.900 2.616 622 1HD1 ILE 79 1HD1 ILE 79 -1.708 -1.682 -1.139 623 2HD1 ILE 79 2HD1 ILE 79 -0.034 -2.202 -1.312 624 3HD1 ILE 79 3HD1 ILE 79 -0.488 -1.124 0.009 625 H HIS 80 H HIS 80 3.585 -3.292 0.540 626 HA HIS 80 HA HIS 80 4.253 -5.537 2.272 627 1HB HIS 80 1HB HIS 80 5.581 -5.518 0.259 628 2HB HIS 80 2HB HIS 80 6.008 -3.830 0.522 629 HD1 HIS 80 HD1 HIS 80 6.621 -7.260 1.892 630 HD2 HIS 80 HD2 HIS 80 8.112 -3.414 2.163 631 HE1 HIS 80 HE1 HIS 80 8.609 -7.484 3.352 632 HE2 HIS 80 HE2 HIS 80 9.758 -5.261 3.013 633 H ALA 81 H ALA 81 4.411 -5.076 4.292 634 HA ALA 81 HA ALA 81 4.978 -2.341 5.122 635 1HB ALA 81 1HB ALA 81 4.276 -3.143 7.340 636 2HB ALA 81 2HB ALA 81 4.016 -4.754 6.657 637 3HB ALA 81 3HB ALA 81 3.038 -3.398 6.115 638 H VAL 82 H VAL 82 6.814 -1.865 6.298 639 HA VAL 82 HA VAL 82 8.537 -4.054 7.023 640 HB VAL 82 HB VAL 82 9.228 -3.135 4.789 641 1HG1 VAL 82 1HG1 VAL 82 8.625 -0.834 5.025 642 2HG1 VAL 82 2HG1 VAL 82 10.349 -0.970 4.665 643 3HG1 VAL 82 3HG1 VAL 82 9.814 -0.623 6.310 644 1HG2 VAL 82 1HG2 VAL 82 11.190 -2.761 7.034 645 2HG2 VAL 82 2HG2 VAL 82 11.580 -2.904 5.316 646 3HG2 VAL 82 3HG2 VAL 82 10.840 -4.260 6.164 647 H ASP 83 H ASP 83 9.947 -3.459 8.711 648 HA ASP 83 HA ASP 83 8.709 -1.407 10.400 649 1HB ASP 83 1HB ASP 83 8.842 -3.746 11.194 650 2HB ASP 83 2HB ASP 83 10.587 -3.636 11.147 651 H VAL 84 H VAL 84 9.712 0.370 10.804 652 HA VAL 84 HA VAL 84 12.367 0.822 9.728 653 HB VAL 84 HB VAL 84 10.545 2.749 11.167 654 1HG1 VAL 84 1HG1 VAL 84 11.879 4.518 10.080 655 2HG1 VAL 84 2HG1 VAL 84 12.957 3.279 9.431 656 3HG1 VAL 84 3HG1 VAL 84 12.841 3.523 11.171 657 1HG2 VAL 84 1HG2 VAL 84 9.943 3.586 8.929 658 2HG2 VAL 84 2HG2 VAL 84 9.466 1.905 9.168 659 3HG2 VAL 84 3HG2 VAL 84 10.897 2.289 8.209 660 H THR 85 H THR 85 10.884 0.453 12.886 661 HA THR 85 HA THR 85 13.007 1.596 14.338 662 HB THR 85 HB THR 85 11.869 0.310 16.271 663 HG1 THR 85 HG1 THR 85 10.620 -0.943 14.460 664 1HG2 THR 85 1HG2 THR 85 11.690 2.720 15.913 665 2HG2 THR 85 2HG2 THR 85 10.133 2.050 16.396 666 3HG2 THR 85 3HG2 THR 85 10.434 2.454 14.708 667 H GLY 86 H GLY 86 12.496 -1.623 13.163 668 1HA GLY 86 1HA GLY 86 14.595 -2.682 14.852 669 2HA GLY 86 2HA GLY 86 13.717 -3.559 13.605 670 H GLY 87 H GLY 87 14.607 -0.822 12.116 671 1HA GLY 87 1HA GLY 87 16.271 -0.234 10.653 672 2HA GLY 87 2HA GLY 87 17.379 -1.149 11.668 673 H ASN 88 H ASN 88 14.586 -2.590 10.187 674 HA ASN 88 HA ASN 88 16.400 -4.226 8.616 675 1HB ASN 88 1HB ASN 88 14.428 -5.787 8.320 676 2HB ASN 88 2HB ASN 88 15.010 -5.605 9.965 677 1HD2 ASN 88 1HD2 ASN 88 13.721 -4.738 11.460 678 2HD2 ASN 88 2HD2 ASN 88 12.045 -4.415 11.220 679 H GLU 89 H GLU 89 16.367 -4.437 6.519 680 HA GLU 89 HA GLU 89 16.211 -3.831 4.364 681 1HB GLU 89 1HB GLU 89 13.442 -2.909 5.084 682 2HB GLU 89 2HB GLU 89 14.020 -3.140 3.444 683 1HG GLU 89 1HG GLU 89 13.663 -5.295 5.529 684 2HG GLU 89 2HG GLU 89 12.615 -5.001 4.146 685 H ASP 90 H ASP 90 16.730 -1.906 6.633 686 HA ASP 90 HA ASP 90 16.515 0.604 5.149 687 1HB ASP 90 1HB ASP 90 15.325 0.708 7.273 688 2HB ASP 90 2HB ASP 90 16.755 0.143 8.132 Start of MODEL 3 1 H MET 1 H MET 1 -18.499 5.391 0.161 2 HA MET 1 HA MET 1 -19.699 4.726 -1.781 3 1HB MET 1 1HB MET 1 -17.093 5.318 -3.226 4 2HB MET 1 2HB MET 1 -18.461 4.479 -3.927 5 1HG MET 1 1HG MET 1 -18.404 6.752 -4.722 6 2HG MET 1 2HG MET 1 -19.810 6.538 -3.689 7 1HE MET 1 1HE MET 1 -18.632 9.377 -4.614 8 2HE MET 1 2HE MET 1 -18.795 10.283 -3.110 9 3HE MET 1 3HE MET 1 -20.068 9.174 -3.617 10 H THR 2 H THR 2 -19.739 2.513 -2.111 11 HA THR 2 HA THR 2 -17.711 1.041 -0.693 12 HB THR 2 HB THR 2 -20.185 0.026 -2.118 13 HG1 THR 2 HG1 THR 2 -21.269 0.373 -0.291 14 1HG2 THR 2 1HG2 THR 2 -18.500 -1.154 0.101 15 2HG2 THR 2 2HG2 THR 2 -18.494 -1.682 -1.579 16 3HG2 THR 2 3HG2 THR 2 -19.945 -1.888 -0.595 17 H GLU 3 H GLU 3 -15.909 0.498 -1.805 18 HA GLU 3 HA GLU 3 -16.088 -1.064 -4.166 19 1HB GLU 3 1HB GLU 3 -16.182 1.238 -5.100 20 2HB GLU 3 2HB GLU 3 -14.718 1.628 -4.221 21 1HG GLU 3 1HG GLU 3 -13.441 0.134 -5.569 22 2HG GLU 3 2HG GLU 3 -14.904 -0.464 -6.360 23 H VAL 4 H VAL 4 -14.249 -2.347 -4.351 24 HA VAL 4 HA VAL 4 -12.237 -1.997 -2.260 25 HB VAL 4 HB VAL 4 -12.516 -4.416 -1.604 26 1HG1 VAL 4 1HG1 VAL 4 -13.399 -2.671 -0.138 27 2HG1 VAL 4 2HG1 VAL 4 -14.483 -4.059 -0.152 28 3HG1 VAL 4 3HG1 VAL 4 -14.887 -2.617 -1.080 29 1HG2 VAL 4 1HG2 VAL 4 -13.737 -5.221 -3.522 30 2HG2 VAL 4 2HG2 VAL 4 -15.060 -4.116 -3.175 31 3HG2 VAL 4 3HG2 VAL 4 -14.736 -5.449 -2.078 32 H TYR 5 H TYR 5 -10.420 -3.202 -2.495 33 HA TYR 5 HA TYR 5 -9.856 -4.691 -5.062 34 1HB TYR 5 1HB TYR 5 -8.004 -2.868 -3.511 35 2HB TYR 5 2HB TYR 5 -7.564 -3.865 -4.886 36 HD1 TYR 5 HD1 TYR 5 -8.231 -0.626 -3.928 37 HD2 TYR 5 HD2 TYR 5 -9.185 -3.371 -7.017 38 HE1 TYR 5 HE1 TYR 5 -8.702 1.250 -5.447 39 HE2 TYR 5 HE2 TYR 5 -9.662 -1.496 -8.540 40 HH TYR 5 HH TYR 5 -10.296 0.842 -8.405 41 H ASP 6 H ASP 6 -8.991 -6.541 -4.912 42 HA ASP 6 HA ASP 6 -8.523 -7.599 -2.233 43 1HB ASP 6 1HB ASP 6 -8.151 -8.957 -4.891 44 2HB ASP 6 2HB ASP 6 -8.028 -9.747 -3.339 45 H LEU 7 H LEU 7 -6.668 -7.478 -1.330 46 HA LEU 7 HA LEU 7 -4.310 -6.872 -2.960 47 1HB LEU 7 1HB LEU 7 -5.043 -6.022 -0.180 48 2HB LEU 7 2HB LEU 7 -3.572 -5.612 -1.022 49 HG LEU 7 HG LEU 7 -6.364 -4.717 -1.745 50 1HD1 LEU 7 1HD1 LEU 7 -5.572 -2.488 -1.141 51 2HD1 LEU 7 2HD1 LEU 7 -4.022 -3.167 -0.658 52 3HD1 LEU 7 3HD1 LEU 7 -5.484 -3.592 0.229 53 1HD2 LEU 7 1HD2 LEU 7 -5.024 -5.013 -3.750 54 2HD2 LEU 7 2HD2 LEU 7 -3.734 -4.035 -3.049 55 3HD2 LEU 7 3HD2 LEU 7 -5.292 -3.303 -3.425 56 H GLU 8 H GLU 8 -2.331 -7.751 -2.145 57 HA GLU 8 HA GLU 8 -2.719 -9.933 -0.199 58 1HB GLU 8 1HB GLU 8 -1.877 -10.751 -2.363 59 2HB GLU 8 2HB GLU 8 -0.542 -9.606 -2.284 60 1HG GLU 8 1HG GLU 8 0.293 -10.702 -0.267 61 2HG GLU 8 2HG GLU 8 -1.042 -11.844 -0.334 62 H ILE 9 H ILE 9 -1.912 -9.693 1.668 63 HA ILE 9 HA ILE 9 -0.219 -7.378 2.125 64 HB ILE 9 HB ILE 9 -1.679 -9.132 4.087 65 1HG1 ILE 9 1HG1 ILE 9 -3.257 -7.843 2.759 66 2HG1 ILE 9 2HG1 ILE 9 -3.195 -7.189 4.391 67 1HG2 ILE 9 1HG2 ILE 9 -1.169 -7.403 5.766 68 2HG2 ILE 9 2HG2 ILE 9 -0.200 -6.547 4.569 69 3HG2 ILE 9 3HG2 ILE 9 0.294 -8.150 5.116 70 1HD1 ILE 9 1HD1 ILE 9 -3.290 -5.401 2.755 71 2HD1 ILE 9 2HD1 ILE 9 -1.869 -6.038 1.941 72 3HD1 ILE 9 3HD1 ILE 9 -1.725 -5.376 3.569 73 H THR 10 H THR 10 1.724 -7.535 2.647 74 HA THR 10 HA THR 10 2.872 -10.008 3.641 75 HB THR 10 HB THR 10 4.964 -9.381 2.311 76 HG1 THR 10 HG1 THR 10 3.135 -7.574 1.271 77 1HG2 THR 10 1HG2 THR 10 2.527 -10.267 0.787 78 2HG2 THR 10 2HG2 THR 10 3.632 -11.275 1.744 79 3HG2 THR 10 3HG2 THR 10 4.213 -10.484 0.273 80 H THR 11 H THR 11 4.763 -9.596 5.010 81 HA THR 11 HA THR 11 5.241 -6.853 5.735 82 HB THR 11 HB THR 11 4.598 -8.773 7.838 83 HG1 THR 11 HG1 THR 11 2.589 -8.720 6.921 84 1HG2 THR 11 1HG2 THR 11 3.932 -6.700 9.114 85 2HG2 THR 11 2HG2 THR 11 4.503 -5.768 7.720 86 3HG2 THR 11 3HG2 THR 11 5.607 -6.811 8.607 87 H ASN 12 H ASN 12 6.935 -6.831 6.982 88 HA ASN 12 HA ASN 12 8.975 -8.774 6.494 89 1HB ASN 12 1HB ASN 12 10.481 -7.336 7.651 90 2HB ASN 12 2HB ASN 12 9.454 -6.362 6.620 91 1HD2 ASN 12 1HD2 ASN 12 7.196 -6.367 8.591 92 2HD2 ASN 12 2HD2 ASN 12 7.728 -5.365 9.882 93 H ALA 13 H ALA 13 6.652 -8.447 8.928 94 HA ALA 13 HA ALA 13 8.160 -10.079 10.762 95 1HB ALA 13 1HB ALA 13 6.576 -9.346 12.482 96 2HB ALA 13 2HB ALA 13 5.700 -8.414 11.264 97 3HB ALA 13 3HB ALA 13 7.356 -7.981 11.684 98 H THR 14 H THR 14 5.946 -10.449 8.311 99 HA THR 14 HA THR 14 4.700 -12.721 9.658 100 HB THR 14 HB THR 14 2.833 -12.482 7.998 101 HG1 THR 14 HG1 THR 14 3.444 -11.254 6.368 102 1HG2 THR 14 1HG2 THR 14 3.295 -10.058 9.749 103 2HG2 THR 14 2HG2 THR 14 2.566 -11.581 10.262 104 3HG2 THR 14 3HG2 THR 14 1.741 -10.560 9.086 105 H ASP 15 H ASP 15 4.702 -14.633 8.574 106 HA ASP 15 HA ASP 15 6.637 -14.755 6.403 107 1HB ASP 15 1HB ASP 15 6.996 -16.338 8.201 108 2HB ASP 15 2HB ASP 15 5.361 -16.966 8.019 109 H PHE 16 H PHE 16 3.347 -15.603 7.103 110 HA PHE 16 HA PHE 16 2.922 -16.678 4.468 111 1HB PHE 16 1HB PHE 16 1.874 -17.779 6.370 112 2HB PHE 16 2HB PHE 16 1.054 -16.283 6.788 113 HD1 PHE 16 HD1 PHE 16 1.310 -18.822 4.087 114 HD2 PHE 16 HD2 PHE 16 -1.083 -15.864 5.994 115 HE1 PHE 16 HE1 PHE 16 -0.623 -19.510 2.729 116 HE2 PHE 16 HE2 PHE 16 -3.015 -16.544 4.637 117 HZ PHE 16 HZ PHE 16 -2.787 -18.367 3.007 118 HA PRO 17 HA PRO 17 1.387 -12.673 2.972 119 1HB PRO 17 1HB PRO 17 1.199 -13.949 0.387 120 2HB PRO 17 2HB PRO 17 2.342 -12.708 0.897 121 1HG PRO 17 1HG PRO 17 3.052 -15.291 0.307 122 2HG PRO 17 2HG PRO 17 3.957 -14.230 1.400 123 1HD PRO 17 1HD PRO 17 2.037 -16.432 2.068 124 2HD PRO 17 2HD PRO 17 3.566 -15.943 2.840 125 H MET 18 H MET 18 -0.719 -12.158 2.926 126 HA MET 18 HA MET 18 -2.613 -14.302 2.242 127 1HB MET 18 1HB MET 18 -2.481 -14.122 4.678 128 2HB MET 18 2HB MET 18 -2.835 -12.406 4.584 129 1HG MET 18 1HG MET 18 -5.055 -12.898 3.714 130 2HG MET 18 2HG MET 18 -4.695 -14.623 3.756 131 1HE MET 18 1HE MET 18 -7.290 -14.195 6.669 132 2HE MET 18 2HE MET 18 -6.933 -15.003 5.139 133 3HE MET 18 3HE MET 18 -7.265 -13.272 5.171 134 H GLU 19 H GLU 19 -4.323 -13.732 1.025 135 HA GLU 19 HA GLU 19 -4.330 -11.011 0.111 136 1HB GLU 19 1HB GLU 19 -5.917 -11.788 -1.641 137 2HB GLU 19 2HB GLU 19 -4.395 -12.651 -1.672 138 1HG GLU 19 1HG GLU 19 -6.911 -13.719 -0.413 139 2HG GLU 19 2HG GLU 19 -6.436 -14.025 -2.082 140 H LYS 20 H LYS 20 -5.685 -9.609 0.676 141 HA LYS 20 HA LYS 20 -8.125 -10.360 2.084 142 1HB LYS 20 1HB LYS 20 -6.304 -10.054 3.730 143 2HB LYS 20 2HB LYS 20 -6.079 -8.422 3.130 144 1HG LYS 20 1HG LYS 20 -8.306 -7.818 3.861 145 2HG LYS 20 2HG LYS 20 -8.580 -9.490 4.377 146 1HD LYS 20 1HD LYS 20 -6.815 -9.350 5.975 147 2HD LYS 20 2HD LYS 20 -6.397 -7.746 5.353 148 1HE LYS 20 1HE LYS 20 -8.531 -6.870 6.162 149 2HE LYS 20 2HE LYS 20 -8.989 -8.479 6.726 150 1HZ LYS 20 1HZ LYS 20 -6.684 -6.896 7.737 151 2HZ LYS 20 2HZ LYS 20 -7.117 -8.421 8.241 152 3HZ LYS 20 3HZ LYS 20 -8.142 -7.124 8.555 153 H LYS 21 H LYS 21 -9.691 -8.782 1.957 154 HA LYS 21 HA LYS 21 -9.387 -7.081 -0.376 155 1HB LYS 21 1HB LYS 21 -11.124 -8.790 -0.267 156 2HB LYS 21 2HB LYS 21 -11.751 -8.042 1.185 157 1HG LYS 21 1HG LYS 21 -12.462 -6.121 -0.052 158 2HG LYS 21 2HG LYS 21 -11.685 -6.734 -1.518 159 1HD LYS 21 1HD LYS 21 -14.084 -7.214 -1.579 160 2HD LYS 21 2HD LYS 21 -13.141 -8.691 -1.482 161 1HE LYS 21 1HE LYS 21 -13.570 -8.794 0.949 162 2HE LYS 21 2HE LYS 21 -14.559 -7.338 0.817 163 1HZ LYS 21 1HZ LYS 21 -15.060 -9.938 -0.497 164 2HZ LYS 21 2HZ LYS 21 -16.025 -8.574 -0.694 165 3HZ LYS 21 3HZ LYS 21 -15.911 -9.323 0.818 166 H TYR 22 H TYR 22 -9.368 -4.907 -0.253 167 HA TYR 22 HA TYR 22 -10.218 -3.612 2.235 168 1HB TYR 22 1HB TYR 22 -7.685 -3.057 0.679 169 2HB TYR 22 2HB TYR 22 -8.327 -1.977 1.905 170 HD1 TYR 22 HD1 TYR 22 -8.338 -2.670 4.270 171 HD2 TYR 22 HD2 TYR 22 -6.514 -5.065 1.272 172 HE1 TYR 22 HE1 TYR 22 -7.095 -3.883 5.999 173 HE2 TYR 22 HE2 TYR 22 -5.274 -6.286 3.000 174 HH TYR 22 HH TYR 22 -4.494 -5.913 5.328 175 HA PRO 23 HA PRO 23 -12.460 -0.942 -0.491 176 1HB PRO 23 1HB PRO 23 -12.136 1.350 1.264 177 2HB PRO 23 2HB PRO 23 -13.584 0.394 0.949 178 1HG PRO 23 1HG PRO 23 -12.239 0.364 3.324 179 2HG PRO 23 2HG PRO 23 -13.218 -0.980 2.718 180 1HD PRO 23 1HD PRO 23 -10.256 -0.637 2.744 181 2HD PRO 23 2HD PRO 23 -11.234 -2.101 2.980 182 H ALA 24 H ALA 24 -12.165 0.363 -2.089 183 HA ALA 24 HA ALA 24 -9.578 1.174 -2.913 184 1HB ALA 24 1HB ALA 24 -10.726 2.100 -4.839 185 2HB ALA 24 2HB ALA 24 -12.261 1.991 -3.983 186 3HB ALA 24 3HB ALA 24 -11.397 0.523 -4.426 187 H GLY 25 H GLY 25 -12.228 2.882 -1.673 188 1HA GLY 25 1HA GLY 25 -11.021 5.494 -2.026 189 2HA GLY 25 2HA GLY 25 -12.567 5.181 -1.259 190 H MET 26 H MET 26 -10.498 3.171 0.241 191 HA MET 26 HA MET 26 -10.423 4.796 2.591 192 1HB MET 26 1HB MET 26 -10.727 2.393 2.700 193 2HB MET 26 2HB MET 26 -9.134 2.122 1.996 194 1HG MET 26 1HG MET 26 -8.145 3.169 4.011 195 2HG MET 26 2HG MET 26 -9.767 3.351 4.679 196 1HE MET 26 1HE MET 26 -8.296 0.330 2.590 197 2HE MET 26 2HE MET 26 -7.699 -0.697 3.893 198 3HE MET 26 3HE MET 26 -6.961 0.874 3.600 199 H SER 27 H SER 27 -8.545 5.522 3.688 200 HA SER 27 HA SER 27 -6.455 6.543 1.954 201 1HB SER 27 1HB SER 27 -5.755 7.613 4.076 202 2HB SER 27 2HB SER 27 -7.398 8.032 3.616 203 HG SER 27 HG SER 27 -7.570 7.481 5.684 204 H LEU 28 H LEU 28 -4.294 6.136 2.206 205 HA LEU 28 HA LEU 28 -3.537 3.526 2.830 206 1HB LEU 28 1HB LEU 28 -2.434 5.465 1.477 207 2HB LEU 28 2HB LEU 28 -1.721 5.885 2.980 208 HG LEU 28 HG LEU 28 -0.130 4.610 1.575 209 1HD1 LEU 28 1HD1 LEU 28 0.105 4.520 3.992 210 2HD1 LEU 28 2HD1 LEU 28 0.673 3.051 3.197 211 3HD1 LEU 28 3HD1 LEU 28 -0.889 3.064 4.024 212 1HD2 LEU 28 1HD2 LEU 28 -1.693 3.172 0.408 213 2HD2 LEU 28 2HD2 LEU 28 -2.037 2.305 1.907 214 3HD2 LEU 28 3HD2 LEU 28 -0.431 2.229 1.193 215 H ASN 29 H ASN 29 -3.821 6.403 4.748 216 HA ASN 29 HA ASN 29 -2.248 5.500 6.949 217 1HB ASN 29 1HB ASN 29 -4.444 7.584 7.031 218 2HB ASN 29 2HB ASN 29 -3.525 7.128 8.455 219 1HD2 ASN 29 1HD2 ASN 29 -3.630 9.063 5.663 220 2HD2 ASN 29 2HD2 ASN 29 -2.073 9.776 5.831 221 H ASP 30 H ASP 30 -5.724 5.068 6.362 222 HA ASP 30 HA ASP 30 -6.141 3.686 8.878 223 1HB ASP 30 1HB ASP 30 -7.934 4.779 7.318 224 2HB ASP 30 2HB ASP 30 -7.796 3.308 6.403 225 H LEU 31 H LEU 31 -5.152 2.894 5.711 226 HA LEU 31 HA LEU 31 -5.421 0.073 5.756 227 1HB LEU 31 1HB LEU 31 -4.938 1.514 3.726 228 2HB LEU 31 2HB LEU 31 -3.359 1.789 4.356 229 HG LEU 31 HG LEU 31 -3.452 0.167 2.436 230 1HD1 LEU 31 1HD1 LEU 31 -1.511 0.201 3.853 231 2HD1 LEU 31 2HD1 LEU 31 -1.886 -1.451 3.354 232 3HD1 LEU 31 3HD1 LEU 31 -2.291 -0.908 4.980 233 1HD2 LEU 31 1HD2 LEU 31 -4.727 -1.650 4.471 234 2HD2 LEU 31 2HD2 LEU 31 -4.142 -2.134 2.880 235 3HD2 LEU 31 3HD2 LEU 31 -5.491 -1.007 3.017 236 H LYS 32 H LYS 32 -2.774 2.215 6.506 237 HA LYS 32 HA LYS 32 -0.930 0.308 7.600 238 1HB LYS 32 1HB LYS 32 -1.282 3.170 8.521 239 2HB LYS 32 2HB LYS 32 0.130 2.146 8.727 240 1HG LYS 32 1HG LYS 32 0.362 2.132 6.228 241 2HG LYS 32 2HG LYS 32 -0.971 3.236 6.183 242 1HD LYS 32 1HD LYS 32 1.144 4.476 6.036 243 2HD LYS 32 2HD LYS 32 0.214 4.918 7.463 244 1HE LYS 32 1HE LYS 32 1.651 3.488 8.842 245 2HE LYS 32 2HE LYS 32 2.555 3.004 7.410 246 1HZ LYS 32 1HZ LYS 32 3.672 4.744 8.668 247 2HZ LYS 32 2HZ LYS 32 2.370 5.784 8.453 248 3HZ LYS 32 3HZ LYS 32 3.268 5.307 7.137 249 H LYS 33 H LYS 33 -3.413 2.358 9.301 250 HA LYS 33 HA LYS 33 -2.854 1.386 11.752 251 1HB LYS 33 1HB LYS 33 -5.164 2.609 10.414 252 2HB LYS 33 2HB LYS 33 -5.279 2.209 12.092 253 1HG LYS 33 1HG LYS 33 -3.063 3.523 12.313 254 2HG LYS 33 2HG LYS 33 -3.470 4.141 10.716 255 1HD LYS 33 1HD LYS 33 -5.149 4.359 13.200 256 2HD LYS 33 2HD LYS 33 -4.112 5.587 12.466 257 1HE LYS 33 1HE LYS 33 -5.545 5.633 10.480 258 2HE LYS 33 2HE LYS 33 -6.537 4.332 11.141 259 1HZ LYS 33 1HZ LYS 33 -7.165 5.834 12.973 260 2HZ LYS 33 2HZ LYS 33 -7.617 6.461 11.482 261 3HZ LYS 33 3HZ LYS 33 -6.268 7.076 12.267 262 H LYS 34 H LYS 34 -4.756 0.000 9.152 263 HA LYS 34 HA LYS 34 -6.176 -1.925 10.724 264 1HB LYS 34 1HB LYS 34 -6.224 -1.083 8.088 265 2HB LYS 34 2HB LYS 34 -5.501 -2.676 7.960 266 1HG LYS 34 1HG LYS 34 -7.743 -3.179 7.708 267 2HG LYS 34 2HG LYS 34 -7.546 -3.383 9.444 268 1HD LYS 34 1HD LYS 34 -8.623 -0.918 8.061 269 2HD LYS 34 2HD LYS 34 -9.567 -2.140 8.904 270 1HE LYS 34 1HE LYS 34 -8.562 -1.510 11.011 271 2HE LYS 34 2HE LYS 34 -7.473 -0.393 10.185 272 1HZ LYS 34 1HZ LYS 34 -10.422 -0.173 10.239 273 2HZ LYS 34 2HZ LYS 34 -9.332 0.918 9.504 274 3HZ LYS 34 3HZ LYS 34 -9.349 0.719 11.185 275 H LEU 35 H LEU 35 -3.216 -1.874 8.800 276 HA LEU 35 HA LEU 35 -2.342 -4.504 9.219 277 1HB LEU 35 1HB LEU 35 -1.068 -1.911 8.560 278 2HB LEU 35 2HB LEU 35 -0.073 -3.302 8.549 279 HG LEU 35 HG LEU 35 -2.328 -2.541 6.725 280 1HD1 LEU 35 1HD1 LEU 35 -0.132 -1.667 6.219 281 2HD1 LEU 35 2HD1 LEU 35 -0.629 -2.841 5.001 282 3HD1 LEU 35 3HD1 LEU 35 0.544 -3.296 6.237 283 1HD2 LEU 35 1HD2 LEU 35 -2.096 -4.712 5.600 284 2HD2 LEU 35 2HD2 LEU 35 -2.696 -4.894 7.241 285 3HD2 LEU 35 3HD2 LEU 35 -1.007 -5.256 6.876 286 H GLU 36 H GLU 36 -1.591 -1.467 10.836 287 HA GLU 36 HA GLU 36 0.201 -2.377 12.678 288 1HB GLU 36 1HB GLU 36 -1.701 -0.124 12.595 289 2HB GLU 36 2HB GLU 36 -0.576 -0.271 13.906 290 1HG GLU 36 1HG GLU 36 0.036 0.134 10.968 291 2HG GLU 36 2HG GLU 36 0.336 1.224 12.293 292 H LEU 37 H LEU 37 -3.234 -2.461 12.708 293 HA LEU 37 HA LEU 37 -3.565 -3.062 15.448 294 1HB LEU 37 1HB LEU 37 -5.397 -2.374 13.889 295 2HB LEU 37 2HB LEU 37 -5.238 -3.928 13.106 296 HG LEU 37 HG LEU 37 -5.942 -5.044 15.201 297 1HD1 LEU 37 1HD1 LEU 37 -6.442 -2.237 16.163 298 2HD1 LEU 37 2HD1 LEU 37 -5.254 -3.373 16.805 299 3HD1 LEU 37 3HD1 LEU 37 -6.978 -3.710 16.968 300 1HD2 LEU 37 1HD2 LEU 37 -8.311 -4.413 15.046 301 2HD2 LEU 37 2HD2 LEU 37 -7.574 -4.592 13.455 302 3HD2 LEU 37 3HD2 LEU 37 -7.863 -2.983 14.116 303 H VAL 38 H VAL 38 -2.732 -4.969 12.663 304 HA VAL 38 HA VAL 38 -2.938 -7.468 14.124 305 HB VAL 38 HB VAL 38 -2.005 -6.915 11.289 306 1HG1 VAL 38 1HG1 VAL 38 -1.040 -8.985 12.142 307 2HG1 VAL 38 2HG1 VAL 38 -2.262 -9.327 10.920 308 3HG1 VAL 38 3HG1 VAL 38 -2.639 -9.547 12.626 309 1HG2 VAL 38 1HG2 VAL 38 -4.642 -7.971 12.310 310 2HG2 VAL 38 2HG2 VAL 38 -4.182 -7.829 10.616 311 3HG2 VAL 38 3HG2 VAL 38 -4.359 -6.379 11.607 312 H VAL 39 H VAL 39 -0.447 -5.352 12.740 313 HA VAL 39 HA VAL 39 1.689 -7.145 13.534 314 HB VAL 39 HB VAL 39 1.940 -4.332 12.441 315 1HG1 VAL 39 1HG1 VAL 39 4.178 -5.058 11.747 316 2HG1 VAL 39 2HG1 VAL 39 3.901 -6.624 12.507 317 3HG1 VAL 39 3HG1 VAL 39 3.976 -5.168 13.496 318 1HG2 VAL 39 1HG2 VAL 39 0.663 -5.711 10.886 319 2HG2 VAL 39 2HG2 VAL 39 1.918 -6.951 10.939 320 3HG2 VAL 39 3HG2 VAL 39 2.271 -5.367 10.246 321 H GLY 40 H GLY 40 0.171 -4.330 14.972 322 1HA GLY 40 1HA GLY 40 0.389 -3.698 17.166 323 2HA GLY 40 2HA GLY 40 1.639 -4.909 17.371 324 H THR 41 H THR 41 2.455 -3.082 14.722 325 HA THR 41 HA THR 41 4.505 -1.652 16.188 326 HB THR 41 HB THR 41 3.838 -1.500 13.217 327 HG1 THR 41 HG1 THR 41 4.722 -3.321 12.983 328 1HG2 THR 41 1HG2 THR 41 6.441 -1.031 14.713 329 2HG2 THR 41 2HG2 THR 41 5.491 0.197 13.851 330 3HG2 THR 41 3HG2 THR 41 6.284 -1.090 12.965 331 H THR 42 H THR 42 4.818 0.846 15.231 332 HA THR 42 HA THR 42 2.262 2.162 15.550 333 HB THR 42 HB THR 42 3.679 4.160 16.219 334 HG1 THR 42 HG1 THR 42 5.797 3.805 16.711 335 1HG2 THR 42 1HG2 THR 42 2.539 2.792 17.909 336 2HG2 THR 42 2HG2 THR 42 4.100 3.351 18.503 337 3HG2 THR 42 3HG2 THR 42 3.911 1.686 17.944 338 H VAL 43 H VAL 43 1.807 3.970 14.284 339 HA VAL 43 HA VAL 43 2.024 3.369 11.567 340 HB VAL 43 HB VAL 43 1.186 6.001 12.814 341 1HG1 VAL 43 1HG1 VAL 43 -0.135 6.345 10.792 342 2HG1 VAL 43 2HG1 VAL 43 0.524 4.865 10.107 343 3HG1 VAL 43 3HG1 VAL 43 1.587 6.236 10.430 344 1HG2 VAL 43 1HG2 VAL 43 -1.105 5.117 12.646 345 2HG2 VAL 43 2HG2 VAL 43 -0.098 4.180 13.740 346 3HG2 VAL 43 3HG2 VAL 43 -0.452 3.564 12.123 347 H ASP 44 H ASP 44 3.737 5.794 13.449 348 HA ASP 44 HA ASP 44 4.940 7.053 11.195 349 1HB ASP 44 1HB ASP 44 4.644 8.227 13.321 350 2HB ASP 44 2HB ASP 44 5.771 7.107 14.080 351 H SER 45 H SER 45 5.852 4.231 13.107 352 HA SER 45 HA SER 45 8.552 4.298 12.167 353 1HB SER 45 1HB SER 45 7.006 2.600 14.062 354 2HB SER 45 2HB SER 45 8.717 2.434 13.689 355 HG SER 45 HG SER 45 8.463 4.915 14.229 356 H MET 46 H MET 46 5.751 3.297 10.888 357 HA MET 46 HA MET 46 6.880 0.751 9.849 358 1HB MET 46 1HB MET 46 4.876 0.689 11.417 359 2HB MET 46 2HB MET 46 3.958 1.419 10.116 360 1HG MET 46 1HG MET 46 3.557 -0.930 10.142 361 2HG MET 46 2HG MET 46 4.512 -0.550 8.706 362 1HE MET 46 1HE MET 46 4.094 -3.458 10.095 363 2HE MET 46 2HE MET 46 5.715 -4.133 9.942 364 3HE MET 46 3HE MET 46 5.003 -3.252 8.596 365 H ARG 47 H ARG 47 7.207 0.724 7.637 366 HA ARG 47 HA ARG 47 5.628 2.594 6.094 367 1HB ARG 47 1HB ARG 47 8.520 1.980 5.711 368 2HB ARG 47 2HB ARG 47 7.524 2.633 4.420 369 1HG ARG 47 1HG ARG 47 6.932 4.514 5.952 370 2HG ARG 47 2HG ARG 47 8.140 3.904 7.076 371 1HD ARG 47 1HD ARG 47 8.598 4.812 4.247 372 2HD ARG 47 2HD ARG 47 9.024 5.689 5.713 373 HE ARG 47 HE ARG 47 10.204 3.048 5.329 374 1HH1 ARG 47 1HH1 ARG 47 10.675 6.541 5.112 375 2HH1 ARG 47 2HH1 ARG 47 12.359 6.458 5.006 376 1HH2 ARG 47 1HH2 ARG 47 12.506 2.914 5.161 377 2HH2 ARG 47 2HH2 ARG 47 13.451 4.323 5.046 378 H ILE 48 H ILE 48 5.002 2.161 4.111 379 HA ILE 48 HA ILE 48 4.714 -0.721 3.631 380 HB ILE 48 HB ILE 48 2.752 1.536 3.216 381 1HG1 ILE 48 1HG1 ILE 48 1.164 0.013 4.433 382 2HG1 ILE 48 2HG1 ILE 48 2.479 -1.123 4.655 383 1HG2 ILE 48 1HG2 ILE 48 1.223 -0.008 2.073 384 2HG2 ILE 48 2HG2 ILE 48 2.550 -1.178 1.991 385 3HG2 ILE 48 3HG2 ILE 48 2.686 0.364 1.155 386 1HD1 ILE 48 1HD1 ILE 48 3.652 0.511 6.030 387 2HD1 ILE 48 2HD1 ILE 48 2.036 0.189 6.664 388 3HD1 ILE 48 3HD1 ILE 48 2.357 1.672 5.756 389 H GLN 49 H GLN 49 5.377 -1.522 1.793 390 HA GLN 49 HA GLN 49 5.910 0.262 -0.450 391 1HB GLN 49 1HB GLN 49 7.230 -2.383 0.190 392 2HB GLN 49 2HB GLN 49 7.439 -1.535 -1.328 393 1HG GLN 49 1HG GLN 49 9.343 -1.123 0.003 394 2HG GLN 49 2HG GLN 49 8.411 0.367 -0.038 395 1HE2 GLN 49 1HE2 GLN 49 9.331 1.152 1.847 396 2HE2 GLN 49 2HE2 GLN 49 8.972 0.444 3.371 397 H LEU 50 H LEU 50 5.253 -0.470 -2.510 398 HA LEU 50 HA LEU 50 3.367 -2.715 -2.425 399 1HB LEU 50 1HB LEU 50 2.220 -0.619 -2.848 400 2HB LEU 50 2HB LEU 50 3.280 -0.246 -4.192 401 HG LEU 50 HG LEU 50 1.267 -2.549 -4.200 402 1HD1 LEU 50 1HD1 LEU 50 -0.140 -1.078 -5.522 403 2HD1 LEU 50 2HD1 LEU 50 0.994 0.252 -5.247 404 3HD1 LEU 50 3HD1 LEU 50 0.126 -0.474 -3.889 405 1HD2 LEU 50 1HD2 LEU 50 1.516 -2.424 -6.618 406 2HD2 LEU 50 2HD2 LEU 50 3.092 -2.718 -5.875 407 3HD2 LEU 50 3HD2 LEU 50 2.670 -1.103 -6.451 408 H PHE 51 H PHE 51 3.857 -4.386 -3.508 409 HA PHE 51 HA PHE 51 5.847 -4.184 -5.634 410 1HB PHE 51 1HB PHE 51 5.148 -6.508 -3.820 411 2HB PHE 51 2HB PHE 51 6.214 -6.628 -5.206 412 HD1 PHE 51 HD1 PHE 51 5.837 -5.212 -1.821 413 HD2 PHE 51 HD2 PHE 51 8.469 -5.878 -5.090 414 HE1 PHE 51 HE1 PHE 51 7.759 -4.622 -0.399 415 HE2 PHE 51 HE2 PHE 51 10.387 -5.289 -3.676 416 HZ PHE 51 HZ PHE 51 10.031 -4.661 -1.325 417 H ASP 52 H ASP 52 5.398 -5.304 -7.540 418 HA ASP 52 HA ASP 52 2.598 -5.586 -8.036 419 1HB ASP 52 1HB ASP 52 3.386 -5.952 -10.370 420 2HB ASP 52 2HB ASP 52 3.738 -4.366 -9.707 421 H GLY 53 H GLY 53 2.465 -7.403 -9.962 422 1HA GLY 53 1HA GLY 53 2.518 -9.829 -8.394 423 2HA GLY 53 2HA GLY 53 1.780 -9.623 -9.976 424 H ASP 54 H ASP 54 4.725 -8.336 -10.435 425 HA ASP 54 HA ASP 54 5.751 -10.800 -11.523 426 1HB ASP 54 1HB ASP 54 6.795 -7.946 -11.692 427 2HB ASP 54 2HB ASP 54 7.458 -9.324 -12.552 428 H ASP 55 H ASP 55 7.017 -8.044 -9.664 429 HA ASP 55 HA ASP 55 7.927 -9.402 -7.450 430 1HB ASP 55 1HB ASP 55 9.400 -10.655 -8.958 431 2HB ASP 55 2HB ASP 55 10.138 -9.158 -9.494 432 H GLN 56 H GLN 56 8.515 -6.856 -9.733 433 HA GLN 56 HA GLN 56 10.362 -5.369 -8.248 434 1HB GLN 56 1HB GLN 56 8.532 -4.441 -10.430 435 2HB GLN 56 2HB GLN 56 9.777 -3.480 -9.707 436 1HG GLN 56 1HG GLN 56 10.536 -4.351 -11.856 437 2HG GLN 56 2HG GLN 56 11.516 -4.975 -10.539 438 1HE2 GLN 56 1HE2 GLN 56 11.485 -7.148 -10.126 439 2HE2 GLN 56 2HE2 GLN 56 10.786 -8.306 -11.184 440 H LEU 57 H LEU 57 10.235 -3.548 -7.216 441 HA LEU 57 HA LEU 57 7.842 -3.041 -5.663 442 1HB LEU 57 1HB LEU 57 10.059 -3.153 -4.572 443 2HB LEU 57 2HB LEU 57 10.612 -1.812 -5.539 444 HG LEU 57 HG LEU 57 8.372 -1.498 -3.509 445 1HD1 LEU 57 1HD1 LEU 57 10.375 -2.389 -2.377 446 2HD1 LEU 57 2HD1 LEU 57 10.105 -0.694 -1.962 447 3HD1 LEU 57 3HD1 LEU 57 11.351 -1.127 -3.131 448 1HD2 LEU 57 1HD2 LEU 57 8.652 0.327 -5.135 449 2HD2 LEU 57 2HD2 LEU 57 10.357 0.456 -4.667 450 3HD2 LEU 57 3HD2 LEU 57 9.087 0.803 -3.491 451 H LYS 58 H LYS 58 6.421 -1.669 -6.353 452 HA LYS 58 HA LYS 58 7.097 0.039 -8.573 453 1HB LYS 58 1HB LYS 58 4.532 -0.754 -7.318 454 2HB LYS 58 2HB LYS 58 4.584 0.656 -8.367 455 1HG LYS 58 1HG LYS 58 5.526 -2.113 -9.154 456 2HG LYS 58 2HG LYS 58 3.930 -1.460 -9.541 457 1HD LYS 58 1HD LYS 58 4.924 0.335 -10.826 458 2HD LYS 58 2HD LYS 58 6.545 -0.167 -10.388 459 1HE LYS 58 1HE LYS 58 4.585 -1.790 -11.989 460 2HE LYS 58 2HE LYS 58 5.891 -0.828 -12.666 461 1HZ LYS 58 1HZ LYS 58 6.234 -3.218 -10.883 462 2HZ LYS 58 2HZ LYS 58 7.469 -2.245 -11.485 463 3HZ LYS 58 3HZ LYS 58 6.517 -3.119 -12.538 464 H GLY 59 H GLY 59 6.258 0.435 -5.270 465 1HA GLY 59 1HA GLY 59 7.664 2.866 -5.182 466 2HA GLY 59 2HA GLY 59 5.938 3.184 -5.278 467 H GLU 60 H GLU 60 7.385 4.027 -3.136 468 HA GLU 60 HA GLU 60 6.584 2.171 -1.060 469 1HB GLU 60 1HB GLU 60 8.982 2.832 -1.036 470 2HB GLU 60 2HB GLU 60 8.501 4.518 -0.951 471 1HG GLU 60 1HG GLU 60 7.492 4.141 1.222 472 2HG GLU 60 2HG GLU 60 7.901 2.432 1.133 473 H LEU 61 H LEU 61 4.851 2.673 -0.059 474 HA LEU 61 HA LEU 61 3.473 5.121 -0.718 475 1HB LEU 61 1HB LEU 61 2.593 2.640 0.796 476 2HB LEU 61 2HB LEU 61 1.562 3.985 0.385 477 HG LEU 61 HG LEU 61 1.071 2.217 -1.063 478 1HD1 LEU 61 1HD1 LEU 61 1.470 3.187 -3.267 479 2HD1 LEU 61 2HD1 LEU 61 2.663 4.272 -2.554 480 3HD1 LEU 61 3HD1 LEU 61 0.970 4.366 -2.056 481 1HD2 LEU 61 1HD2 LEU 61 2.694 1.263 -2.636 482 2HD2 LEU 61 2HD2 LEU 61 3.042 0.872 -0.951 483 3HD2 LEU 61 3HD2 LEU 61 3.984 2.110 -1.786 484 H THR 62 H THR 62 1.933 4.756 1.787 485 HA THR 62 HA THR 62 1.907 5.237 3.957 486 HB THR 62 HB THR 62 4.571 5.061 4.120 487 HG1 THR 62 HG1 THR 62 4.029 6.843 6.014 488 1HG2 THR 62 1HG2 THR 62 5.070 7.140 2.883 489 2HG2 THR 62 2HG2 THR 62 5.684 7.231 4.534 490 3HG2 THR 62 3HG2 THR 62 4.195 8.081 4.094 491 H ASP 63 H ASP 63 1.955 6.898 1.231 492 HA ASP 63 HA ASP 63 1.216 9.508 2.223 493 1HB ASP 63 1HB ASP 63 0.553 8.332 -0.451 494 2HB ASP 63 2HB ASP 63 0.629 10.007 -0.057 495 H GLY 64 H GLY 64 -0.625 9.502 3.344 496 1HA GLY 64 1HA GLY 64 -2.767 7.710 2.400 497 2HA GLY 64 2HA GLY 64 -2.658 8.183 4.072 498 H ALA 65 H ALA 65 -1.994 10.850 2.216 499 HA ALA 65 HA ALA 65 -4.549 12.007 2.742 500 1HB ALA 65 1HB ALA 65 -3.674 13.963 1.539 501 2HB ALA 65 2HB ALA 65 -2.288 13.009 1.004 502 3HB ALA 65 3HB ALA 65 -2.513 13.360 2.717 503 H LYS 66 H LYS 66 -3.352 10.011 0.409 504 HA LYS 66 HA LYS 66 -5.599 10.527 -1.350 505 1HB LYS 66 1HB LYS 66 -4.077 9.599 -3.151 506 2HB LYS 66 2HB LYS 66 -3.675 11.200 -2.553 507 1HG LYS 66 1HG LYS 66 -2.008 10.053 -1.020 508 2HG LYS 66 2HG LYS 66 -2.295 8.594 -1.965 509 1HD LYS 66 1HD LYS 66 -1.262 11.231 -3.036 510 2HD LYS 66 2HD LYS 66 -0.306 9.787 -2.727 511 1HE LYS 66 1HE LYS 66 -1.612 8.578 -4.429 512 2HE LYS 66 2HE LYS 66 -2.561 10.022 -4.702 513 1HZ LYS 66 1HZ LYS 66 0.369 9.822 -5.187 514 2HZ LYS 66 2HZ LYS 66 -0.607 11.174 -5.469 515 3HZ LYS 66 3HZ LYS 66 -0.842 9.797 -6.357 516 H SER 67 H SER 67 -6.539 8.552 -2.273 517 HA SER 67 HA SER 67 -6.632 6.559 -0.252 518 1HB SER 67 1HB SER 67 -8.404 5.663 -1.735 519 2HB SER 67 2HB SER 67 -8.689 7.296 -1.148 520 HG SER 67 HG SER 67 -8.613 7.993 -3.128 521 H LEU 68 H LEU 68 -6.930 4.325 -1.080 522 HA LEU 68 HA LEU 68 -4.509 3.337 -2.156 523 1HB LEU 68 1HB LEU 68 -7.212 2.017 -2.005 524 2HB LEU 68 2HB LEU 68 -5.718 1.173 -2.319 525 HG LEU 68 HG LEU 68 -6.530 2.535 0.247 526 1HD1 LEU 68 1HD1 LEU 68 -6.066 -0.357 -0.436 527 2HD1 LEU 68 2HD1 LEU 68 -7.628 0.411 -0.143 528 3HD1 LEU 68 3HD1 LEU 68 -6.451 0.276 1.164 529 1HD2 LEU 68 1HD2 LEU 68 -4.438 1.660 1.177 530 2HD2 LEU 68 2HD2 LEU 68 -4.139 2.826 -0.107 531 3HD2 LEU 68 3HD2 LEU 68 -3.960 1.098 -0.425 532 H LYS 69 H LYS 69 -7.549 4.207 -3.476 533 HA LYS 69 HA LYS 69 -7.250 2.982 -6.022 534 1HB LYS 69 1HB LYS 69 -9.424 3.577 -5.002 535 2HB LYS 69 2HB LYS 69 -9.017 5.269 -5.186 536 1HG LYS 69 1HG LYS 69 -9.046 5.077 -7.586 537 2HG LYS 69 2HG LYS 69 -9.305 3.333 -7.472 538 1HD LYS 69 1HD LYS 69 -11.432 3.751 -6.302 539 2HD LYS 69 2HD LYS 69 -11.173 5.485 -6.486 540 1HE LYS 69 1HE LYS 69 -11.256 5.266 -8.899 541 2HE LYS 69 2HE LYS 69 -11.402 3.516 -8.754 542 1HZ LYS 69 1HZ LYS 69 -13.550 4.562 -9.130 543 2HZ LYS 69 2HZ LYS 69 -13.397 5.463 -7.704 544 3HZ LYS 69 3HZ LYS 69 -13.464 3.775 -7.643 545 H ASP 70 H ASP 70 -6.574 6.165 -4.711 546 HA ASP 70 HA ASP 70 -5.844 7.275 -7.277 547 1HB ASP 70 1HB ASP 70 -6.727 8.561 -5.281 548 2HB ASP 70 2HB ASP 70 -5.154 8.357 -4.559 549 H LEU 71 H LEU 71 -4.310 5.780 -4.629 550 HA LEU 71 HA LEU 71 -1.582 6.291 -5.384 551 1HB LEU 71 1HB LEU 71 -2.824 4.288 -3.531 552 2HB LEU 71 2HB LEU 71 -1.105 4.300 -3.844 553 HG LEU 71 HG LEU 71 -2.611 6.644 -2.592 554 1HD1 LEU 71 1HD1 LEU 71 -2.706 4.682 -1.188 555 2HD1 LEU 71 2HD1 LEU 71 -1.617 5.908 -0.537 556 3HD1 LEU 71 3HD1 LEU 71 -0.962 4.482 -1.340 557 1HD2 LEU 71 1HD2 LEU 71 0.331 5.995 -2.801 558 2HD2 LEU 71 2HD2 LEU 71 -0.390 7.424 -2.067 559 3HD2 LEU 71 3HD2 LEU 71 -0.493 7.170 -3.805 560 H GLY 72 H GLY 72 -3.906 4.164 -6.639 561 1HA GLY 72 1HA GLY 72 -3.638 2.825 -8.536 562 2HA GLY 72 2HA GLY 72 -1.894 3.003 -8.385 563 H VAL 73 H VAL 73 -3.611 2.136 -5.577 564 HA VAL 73 HA VAL 73 -2.381 -0.485 -5.554 565 HB VAL 73 HB VAL 73 -4.187 0.826 -3.504 566 1HG1 VAL 73 1HG1 VAL 73 -2.224 -1.419 -3.249 567 2HG1 VAL 73 2HG1 VAL 73 -3.984 -1.558 -3.223 568 3HG1 VAL 73 3HG1 VAL 73 -3.140 -0.722 -1.914 569 1HG2 VAL 73 1HG2 VAL 73 -2.152 1.479 -2.269 570 2HG2 VAL 73 2HG2 VAL 73 -2.285 2.270 -3.839 571 3HG2 VAL 73 3HG2 VAL 73 -1.171 0.931 -3.631 572 H ARG 74 H ARG 74 -3.530 -1.734 -6.951 573 HA ARG 74 HA ARG 74 -6.461 -1.712 -6.699 574 1HB ARG 74 1HB ARG 74 -4.827 -2.325 -9.153 575 2HB ARG 74 2HB ARG 74 -6.581 -2.318 -9.047 576 1HG ARG 74 1HG ARG 74 -6.557 0.049 -8.535 577 2HG ARG 74 2HG ARG 74 -4.797 0.055 -8.611 578 1HD ARG 74 1HD ARG 74 -5.708 0.898 -10.642 579 2HD ARG 74 2HD ARG 74 -4.933 -0.648 -10.963 580 HE ARG 74 HE ARG 74 -7.217 -1.605 -10.908 581 1HH1 ARG 74 1HH1 ARG 74 -6.801 1.865 -11.577 582 2HH1 ARG 74 2HH1 ARG 74 -8.172 1.975 -12.567 583 1HH2 ARG 74 1HH2 ARG 74 -9.157 -1.415 -12.283 584 2HH2 ARG 74 2HH2 ARG 74 -9.524 0.102 -12.957 585 H ASP 75 H ASP 75 -7.120 -3.872 -8.106 586 HA ASP 75 HA ASP 75 -6.810 -5.909 -6.185 587 1HB ASP 75 1HB ASP 75 -7.590 -6.347 -9.041 588 2HB ASP 75 2HB ASP 75 -7.818 -7.462 -7.733 589 H GLY 76 H GLY 76 -5.629 -7.436 -6.016 590 1HA GLY 76 1HA GLY 76 -4.092 -9.215 -6.540 591 2HA GLY 76 2HA GLY 76 -3.932 -8.535 -8.142 592 H TYR 77 H TYR 77 -3.346 -5.960 -6.196 593 HA TYR 77 HA TYR 77 -0.533 -6.337 -6.576 594 1HB TYR 77 1HB TYR 77 -2.096 -3.965 -5.593 595 2HB TYR 77 2HB TYR 77 -0.337 -4.005 -5.540 596 HD1 TYR 77 HD1 TYR 77 -3.252 -3.619 -7.672 597 HD2 TYR 77 HD2 TYR 77 0.955 -4.151 -7.635 598 HE1 TYR 77 HE1 TYR 77 -3.136 -2.886 -10.024 599 HE2 TYR 77 HE2 TYR 77 1.079 -3.417 -9.968 600 HH TYR 77 HH TYR 77 -0.400 -3.307 -11.918 601 H ARG 78 H ARG 78 1.109 -6.001 -4.976 602 HA ARG 78 HA ARG 78 0.294 -7.431 -2.568 603 1HB ARG 78 1HB ARG 78 3.027 -7.161 -3.807 604 2HB ARG 78 2HB ARG 78 2.542 -8.260 -2.522 605 1HG ARG 78 1HG ARG 78 1.106 -9.467 -4.073 606 2HG ARG 78 2HG ARG 78 1.557 -8.357 -5.366 607 1HD ARG 78 1HD ARG 78 2.857 -10.347 -5.598 608 2HD ARG 78 2HD ARG 78 3.918 -9.055 -5.041 609 HE ARG 78 HE ARG 78 2.756 -10.723 -2.992 610 1HH1 ARG 78 1HH1 ARG 78 5.530 -10.166 -5.091 611 2HH1 ARG 78 2HH1 ARG 78 6.617 -11.092 -4.183 612 1HH2 ARG 78 1HH2 ARG 78 4.217 -11.993 -1.715 613 2HH2 ARG 78 2HH2 ARG 78 5.853 -12.161 -2.166 614 H ILE 79 H ILE 79 0.346 -6.316 -0.782 615 HA ILE 79 HA ILE 79 1.855 -3.823 -0.707 616 HB ILE 79 HB ILE 79 -0.614 -4.666 0.855 617 1HG1 ILE 79 1HG1 ILE 79 -1.599 -2.564 -0.057 618 2HG1 ILE 79 2HG1 ILE 79 -0.124 -2.287 -0.965 619 1HG2 ILE 79 1HG2 ILE 79 0.903 -3.576 2.402 620 2HG2 ILE 79 2HG2 ILE 79 -0.477 -2.521 2.050 621 3HG2 ILE 79 3HG2 ILE 79 1.080 -2.241 1.265 622 1HD1 ILE 79 1HD1 ILE 79 -2.011 -4.593 -1.323 623 2HD1 ILE 79 2HD1 ILE 79 -0.566 -4.283 -2.284 624 3HD1 ILE 79 3HD1 ILE 79 -1.929 -3.163 -2.349 625 H HIS 80 H HIS 80 3.513 -3.721 0.514 626 HA HIS 80 HA HIS 80 3.999 -5.863 2.448 627 1HB HIS 80 1HB HIS 80 5.478 -6.099 0.600 628 2HB HIS 80 2HB HIS 80 5.836 -4.376 0.589 629 HD1 HIS 80 HD1 HIS 80 6.549 -7.526 2.567 630 HD2 HIS 80 HD2 HIS 80 7.878 -3.613 2.155 631 HE1 HIS 80 HE1 HIS 80 8.492 -7.417 4.016 632 HE2 HIS 80 HE2 HIS 80 9.575 -5.150 3.348 633 H ALA 81 H ALA 81 4.294 -5.241 4.479 634 HA ALA 81 HA ALA 81 4.952 -2.418 4.960 635 1HB ALA 81 1HB ALA 81 3.846 -2.625 7.129 636 2HB ALA 81 2HB ALA 81 3.520 -4.333 6.815 637 3HB ALA 81 3HB ALA 81 2.757 -3.095 5.828 638 H VAL 82 H VAL 82 6.667 -1.878 6.343 639 HA VAL 82 HA VAL 82 8.222 -4.045 7.472 640 HB VAL 82 HB VAL 82 9.040 -3.613 5.162 641 1HG1 VAL 82 1HG1 VAL 82 8.534 -1.287 4.926 642 2HG1 VAL 82 2HG1 VAL 82 10.250 -1.566 4.629 643 3HG1 VAL 82 3HG1 VAL 82 9.724 -0.870 6.162 644 1HG2 VAL 82 1HG2 VAL 82 10.589 -4.500 6.806 645 2HG2 VAL 82 2HG2 VAL 82 10.978 -2.872 7.351 646 3HG2 VAL 82 3HG2 VAL 82 11.429 -3.389 5.723 647 H ASP 83 H ASP 83 9.505 -3.398 9.164 648 HA ASP 83 HA ASP 83 8.653 -0.985 10.526 649 1HB ASP 83 1HB ASP 83 8.817 -3.079 11.786 650 2HB ASP 83 2HB ASP 83 10.534 -3.180 11.411 651 H VAL 84 H VAL 84 9.761 0.807 10.706 652 HA VAL 84 HA VAL 84 12.325 0.978 9.315 653 HB VAL 84 HB VAL 84 10.422 3.145 10.169 654 1HG1 VAL 84 1HG1 VAL 84 11.704 4.629 8.684 655 2HG1 VAL 84 2HG1 VAL 84 12.837 3.319 8.367 656 3HG1 VAL 84 3HG1 VAL 84 12.715 3.997 9.989 657 1HG2 VAL 84 1HG2 VAL 84 10.887 1.875 7.486 658 2HG2 VAL 84 2HG2 VAL 84 9.918 3.312 7.768 659 3HG2 VAL 84 3HG2 VAL 84 9.428 1.768 8.478 660 H THR 85 H THR 85 10.969 1.254 12.503 661 HA THR 85 HA THR 85 13.000 3.034 13.431 662 HB THR 85 HB THR 85 10.743 3.023 14.409 663 HG1 THR 85 HG1 THR 85 12.320 3.889 15.659 664 1HG2 THR 85 1HG2 THR 85 11.571 0.399 15.644 665 2HG2 THR 85 2HG2 THR 85 10.289 0.633 14.456 666 3HG2 THR 85 3HG2 THR 85 10.125 1.310 16.079 667 H GLY 86 H GLY 86 12.553 -0.406 13.413 668 1HA GLY 86 1HA GLY 86 14.953 -0.798 15.025 669 2HA GLY 86 2HA GLY 86 13.930 -2.071 14.364 670 H GLY 87 H GLY 87 14.362 -0.057 11.906 671 1HA GLY 87 1HA GLY 87 15.774 0.028 10.082 672 2HA GLY 87 2HA GLY 87 17.031 -0.667 11.098 673 H ASN 88 H ASN 88 13.847 -1.971 10.269 674 HA ASN 88 HA ASN 88 15.036 -4.478 9.608 675 1HB ASN 88 1HB ASN 88 12.184 -3.487 9.490 676 2HB ASN 88 2HB ASN 88 12.653 -5.116 9.025 677 1HD2 ASN 88 1HD2 ASN 88 11.355 -5.953 10.620 678 2HD2 ASN 88 2HD2 ASN 88 11.773 -5.959 12.293 679 H GLU 89 H GLU 89 15.643 -5.172 7.710 680 HA GLU 89 HA GLU 89 16.173 -5.273 5.515 681 1HB GLU 89 1HB GLU 89 13.543 -3.823 5.134 682 2HB GLU 89 2HB GLU 89 14.468 -4.574 3.845 683 1HG GLU 89 1HG GLU 89 13.146 -5.959 6.169 684 2HG GLU 89 2HG GLU 89 12.655 -6.019 4.477 685 H ASP 90 H ASP 90 16.836 -2.971 7.189 686 HA ASP 90 HA ASP 90 17.276 -0.879 5.186 687 1HB ASP 90 1HB ASP 90 16.042 -0.211 7.218 688 2HB ASP 90 2HB ASP 90 17.376 -0.776 8.208 Start of MODEL 4 1 H MET 1 H MET 1 -18.637 3.393 -8.314 2 HA MET 1 HA MET 1 -17.784 5.203 -6.149 3 1HB MET 1 1HB MET 1 -20.497 3.914 -6.579 4 2HB MET 1 2HB MET 1 -20.023 4.892 -5.201 5 1HG MET 1 1HG MET 1 -19.708 6.809 -6.672 6 2HG MET 1 2HG MET 1 -20.231 5.835 -8.044 7 1HE MET 1 1HE MET 1 -21.641 5.891 -4.327 8 2HE MET 1 2HE MET 1 -22.916 7.098 -4.508 9 3HE MET 1 3HE MET 1 -21.227 7.562 -4.708 10 H THR 2 H THR 2 -19.513 2.031 -6.527 11 HA THR 2 HA THR 2 -18.151 1.009 -4.269 12 HB THR 2 HB THR 2 -19.241 -1.166 -5.077 13 HG1 THR 2 HG1 THR 2 -20.312 -1.148 -6.913 14 1HG2 THR 2 1HG2 THR 2 -20.260 0.271 -3.366 15 2HG2 THR 2 2HG2 THR 2 -21.483 -0.471 -4.394 16 3HG2 THR 2 3HG2 THR 2 -21.046 1.221 -4.631 17 H GLU 3 H GLU 3 -16.087 0.414 -4.348 18 HA GLU 3 HA GLU 3 -14.977 -0.949 -6.629 19 1HB GLU 3 1HB GLU 3 -15.091 1.475 -7.251 20 2HB GLU 3 2HB GLU 3 -14.119 1.837 -5.844 21 1HG GLU 3 1HG GLU 3 -12.238 0.666 -6.823 22 2HG GLU 3 2HG GLU 3 -13.235 0.190 -8.203 23 H VAL 4 H VAL 4 -13.621 -2.359 -5.755 24 HA VAL 4 HA VAL 4 -12.228 -1.786 -3.252 25 HB VAL 4 HB VAL 4 -12.868 -4.032 -2.371 26 1HG1 VAL 4 1HG1 VAL 4 -15.202 -2.181 -2.853 27 2HG1 VAL 4 2HG1 VAL 4 -14.076 -2.129 -1.486 28 3HG1 VAL 4 3HG1 VAL 4 -15.167 -3.489 -1.679 29 1HG2 VAL 4 1HG2 VAL 4 -14.854 -4.030 -4.644 30 2HG2 VAL 4 2HG2 VAL 4 -14.834 -5.187 -3.318 31 3HG2 VAL 4 3HG2 VAL 4 -13.483 -5.125 -4.455 32 H TYR 5 H TYR 5 -10.385 -2.959 -2.990 33 HA TYR 5 HA TYR 5 -9.591 -4.695 -5.245 34 1HB TYR 5 1HB TYR 5 -7.868 -2.649 -3.843 35 2HB TYR 5 2HB TYR 5 -7.288 -3.842 -4.994 36 HD1 TYR 5 HD1 TYR 5 -7.747 -0.535 -4.772 37 HD2 TYR 5 HD2 TYR 5 -9.126 -3.741 -7.194 38 HE1 TYR 5 HE1 TYR 5 -8.177 1.033 -6.615 39 HE2 TYR 5 HE2 TYR 5 -9.558 -2.185 -9.032 40 HH TYR 5 HH TYR 5 -9.992 0.195 -9.352 41 H ASP 6 H ASP 6 -9.031 -6.600 -4.749 42 HA ASP 6 HA ASP 6 -8.448 -7.327 -1.997 43 1HB ASP 6 1HB ASP 6 -8.254 -8.957 -4.521 44 2HB ASP 6 2HB ASP 6 -8.038 -9.591 -2.912 45 H LEU 7 H LEU 7 -6.530 -7.060 -1.272 46 HA LEU 7 HA LEU 7 -4.309 -7.201 -3.108 47 1HB LEU 7 1HB LEU 7 -3.247 -5.515 -1.520 48 2HB LEU 7 2HB LEU 7 -4.300 -4.924 -2.804 49 HG LEU 7 HG LEU 7 -6.087 -4.833 -1.091 50 1HD1 LEU 7 1HD1 LEU 7 -3.784 -5.194 0.838 51 2HD1 LEU 7 2HD1 LEU 7 -5.161 -6.279 0.634 52 3HD1 LEU 7 3HD1 LEU 7 -5.398 -4.667 1.311 53 1HD2 LEU 7 1HD2 LEU 7 -5.014 -2.827 -1.826 54 2HD2 LEU 7 2HD2 LEU 7 -3.698 -3.054 -0.673 55 3HD2 LEU 7 3HD2 LEU 7 -5.324 -2.699 -0.095 56 H GLU 8 H GLU 8 -2.253 -7.643 -2.136 57 HA GLU 8 HA GLU 8 -2.676 -9.769 -0.154 58 1HB GLU 8 1HB GLU 8 -2.049 -10.409 -2.410 59 2HB GLU 8 2HB GLU 8 -0.595 -9.431 -2.304 60 1HG GLU 8 1HG GLU 8 0.229 -10.906 -0.532 61 2HG GLU 8 2HG GLU 8 -1.252 -11.866 -0.656 62 H ILE 9 H ILE 9 -1.848 -9.406 1.712 63 HA ILE 9 HA ILE 9 0.017 -7.186 2.068 64 HB ILE 9 HB ILE 9 -1.538 -8.746 4.115 65 1HG1 ILE 9 1HG1 ILE 9 -3.010 -7.366 2.715 66 2HG1 ILE 9 2HG1 ILE 9 -2.935 -6.726 4.352 67 1HG2 ILE 9 1HG2 ILE 9 0.136 -6.263 4.490 68 2HG2 ILE 9 2HG2 ILE 9 0.500 -7.878 5.096 69 3HG2 ILE 9 3HG2 ILE 9 -0.888 -6.995 5.728 70 1HD1 ILE 9 1HD1 ILE 9 -2.883 -4.935 2.735 71 2HD1 ILE 9 2HD1 ILE 9 -1.489 -5.663 1.941 72 3HD1 ILE 9 3HD1 ILE 9 -1.333 -5.023 3.578 73 H THR 10 H THR 10 1.961 -7.436 2.579 74 HA THR 10 HA THR 10 2.914 -9.892 3.833 75 HB THR 10 HB THR 10 5.148 -9.339 2.723 76 HG1 THR 10 HG1 THR 10 4.291 -8.348 0.495 77 1HG2 THR 10 1HG2 THR 10 4.588 -10.543 0.672 78 2HG2 THR 10 2HG2 THR 10 2.858 -10.305 1.026 79 3HG2 THR 10 3HG2 THR 10 3.878 -11.254 2.123 80 H THR 11 H THR 11 4.864 -9.505 5.163 81 HA THR 11 HA THR 11 5.309 -6.794 5.985 82 HB THR 11 HB THR 11 4.551 -8.856 7.984 83 HG1 THR 11 HG1 THR 11 2.855 -7.412 6.335 84 1HG2 THR 11 1HG2 THR 11 5.706 -6.933 8.881 85 2HG2 THR 11 2HG2 THR 11 4.038 -6.884 9.450 86 3HG2 THR 11 3HG2 THR 11 4.549 -5.837 8.126 87 H ASN 12 H ASN 12 6.967 -6.964 7.595 88 HA ASN 12 HA ASN 12 9.102 -8.662 6.727 89 1HB ASN 12 1HB ASN 12 10.413 -7.629 8.501 90 2HB ASN 12 2HB ASN 12 9.599 -6.425 7.518 91 1HD2 ASN 12 1HD2 ASN 12 10.649 -6.403 10.328 92 2HD2 ASN 12 2HD2 ASN 12 9.342 -5.878 11.319 93 H ALA 13 H ALA 13 6.754 -8.695 9.219 94 HA ALA 13 HA ALA 13 8.084 -10.723 10.715 95 1HB ALA 13 1HB ALA 13 5.375 -9.486 11.130 96 2HB ALA 13 2HB ALA 13 6.896 -8.943 11.838 97 3HB ALA 13 3HB ALA 13 6.236 -10.523 12.279 98 H THR 14 H THR 14 5.886 -10.631 8.078 99 HA THR 14 HA THR 14 5.134 -13.390 8.620 100 HB THR 14 HB THR 14 3.205 -12.960 7.087 101 HG1 THR 14 HG1 THR 14 2.616 -10.723 6.858 102 1HG2 THR 14 1HG2 THR 14 3.305 -11.310 9.623 103 2HG2 THR 14 2HG2 THR 14 2.868 -13.018 9.505 104 3HG2 THR 14 3HG2 THR 14 1.833 -11.789 8.780 105 H ASP 15 H ASP 15 5.850 -14.832 7.222 106 HA ASP 15 HA ASP 15 7.051 -13.885 4.737 107 1HB ASP 15 1HB ASP 15 8.392 -15.424 6.158 108 2HB ASP 15 2HB ASP 15 7.139 -16.648 6.004 109 H PHE 16 H PHE 16 4.312 -15.345 6.001 110 HA PHE 16 HA PHE 16 3.396 -16.474 3.498 111 1HB PHE 16 1HB PHE 16 2.964 -17.699 5.606 112 2HB PHE 16 2HB PHE 16 2.094 -16.301 6.218 113 HD1 PHE 16 HD1 PHE 16 2.027 -18.923 3.606 114 HD2 PHE 16 HD2 PHE 16 -0.200 -16.030 5.796 115 HE1 PHE 16 HE1 PHE 16 -0.062 -19.839 2.685 116 HE2 PHE 16 HE2 PHE 16 -2.293 -16.940 4.876 117 HZ PHE 16 HZ PHE 16 -2.221 -18.848 3.317 118 HA PRO 17 HA PRO 17 1.333 -12.594 2.680 119 1HB PRO 17 1HB PRO 17 0.370 -13.225 0.264 120 2HB PRO 17 2HB PRO 17 2.069 -12.841 0.548 121 1HG PRO 17 1HG PRO 17 0.770 -15.480 0.088 122 2HG PRO 17 2HG PRO 17 2.390 -14.940 -0.373 123 1HD PRO 17 1HD PRO 17 1.747 -16.535 1.839 124 2HD PRO 17 2HD PRO 17 3.281 -15.692 1.586 125 H MET 18 H MET 18 -0.670 -11.863 2.914 126 HA MET 18 HA MET 18 -2.893 -13.794 2.931 127 1HB MET 18 1HB MET 18 -2.143 -13.372 5.258 128 2HB MET 18 2HB MET 18 -2.354 -11.654 4.995 129 1HG MET 18 1HG MET 18 -4.223 -12.273 6.241 130 2HG MET 18 2HG MET 18 -4.818 -12.186 4.594 131 1HE MET 18 1HE MET 18 -5.350 -16.046 3.773 132 2HE MET 18 2HE MET 18 -3.818 -15.290 3.497 133 3HE MET 18 3HE MET 18 -5.313 -14.413 3.089 134 H GLU 19 H GLU 19 -4.483 -13.094 1.593 135 HA GLU 19 HA GLU 19 -4.356 -10.368 0.683 136 1HB GLU 19 1HB GLU 19 -6.134 -10.994 -0.900 137 2HB GLU 19 2HB GLU 19 -4.737 -12.053 -1.006 138 1HG GLU 19 1HG GLU 19 -5.901 -13.780 0.185 139 2HG GLU 19 2HG GLU 19 -7.269 -12.706 0.477 140 H LYS 20 H LYS 20 -5.823 -8.784 0.943 141 HA LYS 20 HA LYS 20 -8.076 -9.217 2.712 142 1HB LYS 20 1HB LYS 20 -5.995 -7.040 2.772 143 2HB LYS 20 2HB LYS 20 -7.512 -7.035 3.645 144 1HG LYS 20 1HG LYS 20 -5.249 -8.993 4.048 145 2HG LYS 20 2HG LYS 20 -5.615 -7.619 5.094 146 1HD LYS 20 1HD LYS 20 -7.847 -8.607 5.526 147 2HD LYS 20 2HD LYS 20 -7.378 -10.007 4.564 148 1HE LYS 20 1HE LYS 20 -7.115 -10.459 6.916 149 2HE LYS 20 2HE LYS 20 -5.545 -10.464 6.112 150 1HZ LYS 20 1HZ LYS 20 -5.142 -8.237 6.988 151 2HZ LYS 20 2HZ LYS 20 -5.507 -9.289 8.246 152 3HZ LYS 20 3HZ LYS 20 -6.670 -8.218 7.704 153 H LYS 21 H LYS 21 -9.760 -7.695 2.201 154 HA LYS 21 HA LYS 21 -9.319 -6.327 -0.359 155 1HB LYS 21 1HB LYS 21 -10.907 -8.200 -0.529 156 2HB LYS 21 2HB LYS 21 -11.888 -7.454 0.727 157 1HG LYS 21 1HG LYS 21 -12.331 -5.549 -0.725 158 2HG LYS 21 2HG LYS 21 -11.312 -6.251 -1.981 159 1HD LYS 21 1HD LYS 21 -13.649 -6.673 -2.469 160 2HD LYS 21 2HD LYS 21 -12.825 -8.184 -2.101 161 1HE LYS 21 1HE LYS 21 -13.719 -8.085 0.198 162 2HE LYS 21 2HE LYS 21 -14.554 -6.589 -0.213 163 1HZ LYS 21 1HZ LYS 21 -16.022 -8.473 -0.332 164 2HZ LYS 21 2HZ LYS 21 -15.023 -9.249 -1.438 165 3HZ LYS 21 3HZ LYS 21 -15.816 -7.823 -1.870 166 H TYR 22 H TYR 22 -9.596 -4.216 -0.415 167 HA TYR 22 HA TYR 22 -11.154 -2.930 1.684 168 1HB TYR 22 1HB TYR 22 -8.343 -2.179 0.855 169 2HB TYR 22 2HB TYR 22 -9.391 -1.097 1.756 170 HD1 TYR 22 HD1 TYR 22 -7.441 -4.201 1.883 171 HD2 TYR 22 HD2 TYR 22 -9.804 -1.454 4.094 172 HE1 TYR 22 HE1 TYR 22 -6.638 -5.198 3.976 173 HE2 TYR 22 HE2 TYR 22 -9.008 -2.448 6.197 174 HH TYR 22 HH TYR 22 -6.360 -4.517 6.306 175 HA PRO 23 HA PRO 23 -12.837 -0.633 -1.733 176 1HB PRO 23 1HB PRO 23 -12.762 1.752 0.006 177 2HB PRO 23 2HB PRO 23 -14.145 0.994 -0.779 178 1HG PRO 23 1HG PRO 23 -13.773 0.793 1.858 179 2HG PRO 23 2HG PRO 23 -14.434 -0.545 0.895 180 1HD PRO 23 1HD PRO 23 -11.690 -0.180 2.012 181 2HD PRO 23 2HD PRO 23 -12.680 -1.650 1.880 182 H ALA 24 H ALA 24 -12.081 0.591 -3.341 183 HA ALA 24 HA ALA 24 -9.352 1.261 -3.406 184 1HB ALA 24 1HB ALA 24 -11.533 2.216 -5.237 185 2HB ALA 24 2HB ALA 24 -10.741 0.648 -5.321 186 3HB ALA 24 3HB ALA 24 -9.806 2.097 -5.613 187 H GLY 25 H GLY 25 -12.113 2.960 -2.568 188 1HA GLY 25 1HA GLY 25 -10.845 5.583 -2.607 189 2HA GLY 25 2HA GLY 25 -12.515 5.245 -2.177 190 H MET 26 H MET 26 -10.532 3.104 -0.564 191 HA MET 26 HA MET 26 -10.837 4.581 1.889 192 1HB MET 26 1HB MET 26 -11.354 2.194 1.800 193 2HB MET 26 2HB MET 26 -9.705 1.824 1.324 194 1HG MET 26 1HG MET 26 -9.827 1.229 3.578 195 2HG MET 26 2HG MET 26 -9.047 2.798 3.600 196 1HE MET 26 1HE MET 26 -11.516 5.009 3.528 197 2HE MET 26 2HE MET 26 -10.177 5.004 4.669 198 3HE MET 26 3HE MET 26 -11.829 5.078 5.256 199 H SER 27 H SER 27 -8.993 4.982 3.262 200 HA SER 27 HA SER 27 -6.603 5.896 1.869 201 1HB SER 27 1HB SER 27 -6.160 6.750 4.119 202 2HB SER 27 2HB SER 27 -7.706 7.307 3.476 203 HG SER 27 HG SER 27 -7.907 6.609 5.615 204 H LEU 28 H LEU 28 -4.668 5.173 2.114 205 HA LEU 28 HA LEU 28 -4.289 2.449 2.863 206 1HB LEU 28 1HB LEU 28 -2.946 4.094 1.286 207 2HB LEU 28 2HB LEU 28 -2.073 4.470 2.735 208 HG LEU 28 HG LEU 28 -2.206 1.701 1.498 209 1HD1 LEU 28 1HD1 LEU 28 -0.949 3.216 0.128 210 2HD1 LEU 28 2HD1 LEU 28 0.117 2.052 0.896 211 3HD1 LEU 28 3HD1 LEU 28 0.026 3.712 1.509 212 1HD2 LEU 28 1HD2 LEU 28 -0.482 2.722 3.743 213 2HD2 LEU 28 2HD2 LEU 28 -0.479 1.079 3.075 214 3HD2 LEU 28 3HD2 LEU 28 -1.887 1.687 3.934 215 H ASN 29 H ASN 29 -4.299 5.413 4.380 216 HA ASN 29 HA ASN 29 -2.831 5.180 6.803 217 1HB ASN 29 1HB ASN 29 -4.517 7.087 5.697 218 2HB ASN 29 2HB ASN 29 -5.486 6.414 6.981 219 1HD2 ASN 29 1HD2 ASN 29 -4.236 9.035 6.619 220 2HD2 ASN 29 2HD2 ASN 29 -3.285 9.307 8.018 221 H ASP 30 H ASP 30 -6.167 4.262 6.020 222 HA ASP 30 HA ASP 30 -6.857 3.189 8.569 223 1HB ASP 30 1HB ASP 30 -8.447 3.995 6.820 224 2HB ASP 30 2HB ASP 30 -8.019 2.605 5.853 225 H LEU 31 H LEU 31 -5.591 1.962 5.613 226 HA LEU 31 HA LEU 31 -5.764 -0.833 6.014 227 1HB LEU 31 1HB LEU 31 -5.330 0.331 3.845 228 2HB LEU 31 2HB LEU 31 -3.805 0.853 4.444 229 HG LEU 31 HG LEU 31 -3.693 -0.982 2.732 230 1HD1 LEU 31 1HD1 LEU 31 -1.795 -0.586 4.154 231 2HD1 LEU 31 2HD1 LEU 31 -1.990 -2.310 3.830 232 3HD1 LEU 31 3HD1 LEU 31 -2.476 -1.644 5.389 233 1HD2 LEU 31 1HD2 LEU 31 -4.791 -2.664 4.960 234 2HD2 LEU 31 2HD2 LEU 31 -4.140 -3.261 3.434 235 3HD2 LEU 31 3HD2 LEU 31 -5.604 -2.275 3.445 236 H LYS 32 H LYS 32 -3.228 1.475 6.547 237 HA LYS 32 HA LYS 32 -1.351 -0.264 7.833 238 1HB LYS 32 1HB LYS 32 -1.675 2.694 8.322 239 2HB LYS 32 2HB LYS 32 -0.279 1.697 8.704 240 1HG LYS 32 1HG LYS 32 -0.086 1.264 6.225 241 2HG LYS 32 2HG LYS 32 -1.331 2.462 6.027 242 1HD LYS 32 1HD LYS 32 0.865 3.507 5.727 243 2HD LYS 32 2HD LYS 32 0.005 4.178 7.113 244 1HE LYS 32 1HE LYS 32 1.337 2.807 8.633 245 2HE LYS 32 2HE LYS 32 2.145 2.047 7.266 246 1HZ LYS 32 1HZ LYS 32 2.316 4.939 7.978 247 2HZ LYS 32 2HZ LYS 32 3.106 4.188 6.701 248 3HZ LYS 32 3HZ LYS 32 3.492 3.781 8.259 249 H LYS 33 H LYS 33 -3.936 1.803 9.145 250 HA LYS 33 HA LYS 33 -3.354 1.527 11.838 251 1HB LYS 33 1HB LYS 33 -4.988 3.056 10.604 252 2HB LYS 33 2HB LYS 33 -6.050 1.676 10.487 253 1HG LYS 33 1HG LYS 33 -6.738 3.097 12.279 254 2HG LYS 33 2HG LYS 33 -6.145 1.561 12.924 255 1HD LYS 33 1HD LYS 33 -5.350 3.437 14.217 256 2HD LYS 33 2HD LYS 33 -4.018 2.578 13.457 257 1HE LYS 33 1HE LYS 33 -3.869 4.318 11.727 258 2HE LYS 33 2HE LYS 33 -5.257 5.141 12.423 259 1HZ LYS 33 1HZ LYS 33 -4.001 5.571 14.411 260 2HZ LYS 33 2HZ LYS 33 -3.129 6.142 13.105 261 3HZ LYS 33 3HZ LYS 33 -2.690 4.689 13.853 262 H LYS 34 H LYS 34 -5.162 -0.624 9.632 263 HA LYS 34 HA LYS 34 -6.090 -2.463 11.562 264 1HB LYS 34 1HB LYS 34 -6.817 -2.244 9.110 265 2HB LYS 34 2HB LYS 34 -5.294 -2.955 8.706 266 1HG LYS 34 1HG LYS 34 -6.984 -4.674 8.630 267 2HG LYS 34 2HG LYS 34 -5.829 -5.006 9.923 268 1HD LYS 34 1HD LYS 34 -8.056 -5.435 10.770 269 2HD LYS 34 2HD LYS 34 -7.404 -3.959 11.505 270 1HE LYS 34 1HE LYS 34 -8.659 -2.588 9.970 271 2HE LYS 34 2HE LYS 34 -9.275 -4.020 9.152 272 1HZ LYS 34 1HZ LYS 34 -10.881 -3.085 10.673 273 2HZ LYS 34 2HZ LYS 34 -9.828 -3.229 11.958 274 3HZ LYS 34 3HZ LYS 34 -10.436 -4.620 11.201 275 H LEU 35 H LEU 35 -3.233 -2.283 9.493 276 HA LEU 35 HA LEU 35 -2.010 -4.686 10.222 277 1HB LEU 35 1HB LEU 35 -0.990 -2.096 9.159 278 2HB LEU 35 2HB LEU 35 0.037 -3.476 9.247 279 HG LEU 35 HG LEU 35 -2.391 -3.070 7.518 280 1HD1 LEU 35 1HD1 LEU 35 -0.350 -2.041 6.732 281 2HD1 LEU 35 2HD1 LEU 35 -0.792 -3.405 5.705 282 3HD1 LEU 35 3HD1 LEU 35 0.500 -3.577 6.893 283 1HD2 LEU 35 1HD2 LEU 35 -1.999 -5.320 6.625 284 2HD2 LEU 35 2HD2 LEU 35 -2.450 -5.372 8.324 285 3HD2 LEU 35 3HD2 LEU 35 -0.763 -5.595 7.852 286 H GLU 36 H GLU 36 -1.577 -1.367 11.339 287 HA GLU 36 HA GLU 36 0.392 -1.740 13.192 288 1HB GLU 36 1HB GLU 36 -1.841 0.149 12.869 289 2HB GLU 36 2HB GLU 36 -0.732 0.488 14.120 290 1HG GLU 36 1HG GLU 36 -0.363 0.490 11.151 291 2HG GLU 36 2HG GLU 36 -0.025 1.768 12.310 292 H LEU 37 H LEU 37 -3.005 -2.263 13.372 293 HA LEU 37 HA LEU 37 -3.145 -2.516 16.191 294 1HB LEU 37 1HB LEU 37 -5.130 -2.114 14.709 295 2HB LEU 37 2HB LEU 37 -4.913 -3.720 14.083 296 HG LEU 37 HG LEU 37 -5.423 -4.700 16.268 297 1HD1 LEU 37 1HD1 LEU 37 -4.650 -2.907 17.713 298 2HD1 LEU 37 2HD1 LEU 37 -6.327 -3.319 18.066 299 3HD1 LEU 37 3HD1 LEU 37 -5.954 -1.867 17.138 300 1HD2 LEU 37 1HD2 LEU 37 -7.497 -2.747 15.287 301 2HD2 LEU 37 2HD2 LEU 37 -7.804 -4.154 16.302 302 3HD2 LEU 37 3HD2 LEU 37 -7.216 -4.368 14.654 303 H VAL 38 H VAL 38 -2.370 -4.693 13.609 304 HA VAL 38 HA VAL 38 -2.390 -7.015 15.360 305 HB VAL 38 HB VAL 38 -1.602 -6.796 12.440 306 1HG1 VAL 38 1HG1 VAL 38 -1.811 -9.245 12.388 307 2HG1 VAL 38 2HG1 VAL 38 -2.102 -9.244 14.127 308 3HG1 VAL 38 3HG1 VAL 38 -0.543 -8.716 13.498 309 1HG2 VAL 38 1HG2 VAL 38 -4.166 -7.766 13.706 310 2HG2 VAL 38 2HG2 VAL 38 -3.783 -7.838 11.984 311 3HG2 VAL 38 3HG2 VAL 38 -3.955 -6.278 12.782 312 H VAL 39 H VAL 39 -0.012 -5.026 13.622 313 HA VAL 39 HA VAL 39 2.196 -6.648 14.601 314 HB VAL 39 HB VAL 39 2.378 -4.054 13.054 315 1HG1 VAL 39 1HG1 VAL 39 4.320 -6.344 13.373 316 2HG1 VAL 39 2HG1 VAL 39 4.449 -4.757 14.132 317 3HG1 VAL 39 3HG1 VAL 39 4.580 -4.909 12.380 318 1HG2 VAL 39 1HG2 VAL 39 2.256 -6.871 11.964 319 2HG2 VAL 39 2HG2 VAL 39 2.596 -5.419 11.021 320 3HG2 VAL 39 3HG2 VAL 39 1.017 -5.629 11.773 321 H GLY 40 H GLY 40 0.582 -3.729 15.574 322 1HA GLY 40 1HA GLY 40 0.797 -2.741 17.625 323 2HA GLY 40 2HA GLY 40 2.159 -3.796 17.967 324 H THR 41 H THR 41 2.527 -2.325 14.978 325 HA THR 41 HA THR 41 4.713 -0.723 15.934 326 HB THR 41 HB THR 41 3.506 -0.619 13.154 327 HG1 THR 41 HG1 THR 41 4.460 -2.389 12.666 328 1HG2 THR 41 1HG2 THR 41 6.352 -0.396 14.178 329 2HG2 THR 41 2HG2 THR 41 5.357 0.936 13.565 330 3HG2 THR 41 3HG2 THR 41 5.870 -0.354 12.488 331 H THR 42 H THR 42 4.825 1.647 15.033 332 HA THR 42 HA THR 42 2.254 2.974 15.258 333 HB THR 42 HB THR 42 3.673 5.016 15.796 334 HG1 THR 42 HG1 THR 42 5.758 4.856 15.873 335 1HG2 THR 42 1HG2 THR 42 3.973 2.683 17.703 336 2HG2 THR 42 2HG2 THR 42 2.580 3.761 17.606 337 3HG2 THR 42 3HG2 THR 42 4.144 4.385 18.129 338 H VAL 43 H VAL 43 1.820 4.570 13.744 339 HA VAL 43 HA VAL 43 2.202 3.568 11.185 340 HB VAL 43 HB VAL 43 1.129 6.281 11.983 341 1HG1 VAL 43 1HG1 VAL 43 1.695 6.245 9.608 342 2HG1 VAL 43 2HG1 VAL 43 -0.054 6.270 9.834 343 3HG1 VAL 43 3HG1 VAL 43 0.758 4.769 9.397 344 1HG2 VAL 43 1HG2 VAL 43 -1.067 5.216 11.808 345 2HG2 VAL 43 2HG2 VAL 43 -0.065 4.418 13.022 346 3HG2 VAL 43 3HG2 VAL 43 -0.292 3.681 11.436 347 H ASP 44 H ASP 44 3.878 6.271 12.708 348 HA ASP 44 HA ASP 44 5.155 7.184 10.330 349 1HB ASP 44 1HB ASP 44 5.132 8.666 12.236 350 2HB ASP 44 2HB ASP 44 6.011 7.479 13.200 351 H SER 45 H SER 45 6.066 4.718 12.709 352 HA SER 45 HA SER 45 8.667 4.401 11.623 353 1HB SER 45 1HB SER 45 7.099 3.040 13.764 354 2HB SER 45 2HB SER 45 8.806 2.809 13.401 355 HG SER 45 HG SER 45 9.045 5.106 13.803 356 H MET 46 H MET 46 5.743 3.423 10.636 357 HA MET 46 HA MET 46 6.645 0.718 9.835 358 1HB MET 46 1HB MET 46 4.550 1.006 11.269 359 2HB MET 46 2HB MET 46 3.811 1.730 9.853 360 1HG MET 46 1HG MET 46 3.139 -0.561 9.996 361 2HG MET 46 2HG MET 46 4.230 -0.381 8.620 362 1HE MET 46 1HE MET 46 3.396 -3.140 10.092 363 2HE MET 46 2HE MET 46 4.938 -3.988 10.178 364 3HE MET 46 3HE MET 46 4.486 -3.154 8.696 365 H ARG 47 H ARG 47 7.191 0.607 7.733 366 HA ARG 47 HA ARG 47 6.078 2.615 5.963 367 1HB ARG 47 1HB ARG 47 8.641 1.113 5.717 368 2HB ARG 47 2HB ARG 47 7.935 2.031 4.390 369 1HG ARG 47 1HG ARG 47 7.925 4.019 5.874 370 2HG ARG 47 2HG ARG 47 8.824 3.067 7.055 371 1HD ARG 47 1HD ARG 47 9.668 3.653 4.241 372 2HD ARG 47 2HD ARG 47 10.256 4.458 5.690 373 HE ARG 47 HE ARG 47 10.625 1.662 5.870 374 1HH1 ARG 47 1HH1 ARG 47 11.928 4.499 4.242 375 2HH1 ARG 47 2HH1 ARG 47 13.502 3.882 4.061 376 1HH2 ARG 47 1HH2 ARG 47 12.753 0.760 5.601 377 2HH2 ARG 47 2HH2 ARG 47 13.984 1.626 4.815 378 H ILE 48 H ILE 48 5.399 2.250 4.004 379 HA ILE 48 HA ILE 48 4.374 -0.489 3.554 380 HB ILE 48 HB ILE 48 3.079 2.146 2.849 381 1HG1 ILE 48 1HG1 ILE 48 2.900 1.601 5.227 382 2HG1 ILE 48 2HG1 ILE 48 1.331 1.506 4.438 383 1HG2 ILE 48 1HG2 ILE 48 2.130 -0.648 2.361 384 2HG2 ILE 48 2HG2 ILE 48 2.649 0.503 1.127 385 3HG2 ILE 48 3HG2 ILE 48 1.179 0.805 2.058 386 1HD1 ILE 48 1HD1 ILE 48 3.091 -0.816 5.216 387 2HD1 ILE 48 2HD1 ILE 48 1.545 -0.941 4.379 388 3HD1 ILE 48 3HD1 ILE 48 1.605 -0.303 6.020 389 H GLN 49 H GLN 49 5.220 -1.392 1.835 390 HA GLN 49 HA GLN 49 6.048 0.296 -0.396 391 1HB GLN 49 1HB GLN 49 7.122 -2.389 0.421 392 2HB GLN 49 2HB GLN 49 7.610 -1.509 -1.021 393 1HG GLN 49 1HG GLN 49 8.410 0.319 0.360 394 2HG GLN 49 2HG GLN 49 7.911 -0.571 1.799 395 1HE2 GLN 49 1HE2 GLN 49 10.195 -0.333 -0.771 396 2HE2 GLN 49 2HE2 GLN 49 11.340 -1.450 -0.149 397 H LEU 50 H LEU 50 5.585 -0.446 -2.494 398 HA LEU 50 HA LEU 50 3.410 -2.420 -2.560 399 1HB LEU 50 1HB LEU 50 2.601 -0.124 -2.935 400 2HB LEU 50 2HB LEU 50 3.711 0.067 -4.264 401 HG LEU 50 HG LEU 50 1.371 -1.911 -4.331 402 1HD1 LEU 50 1HD1 LEU 50 1.535 0.882 -5.418 403 2HD1 LEU 50 2HD1 LEU 50 0.603 0.356 -4.019 404 3HD1 LEU 50 3HD1 LEU 50 0.195 -0.255 -5.626 405 1HD2 LEU 50 1HD2 LEU 50 1.689 -1.801 -6.746 406 2HD2 LEU 50 2HD2 LEU 50 3.172 -2.354 -5.968 407 3HD2 LEU 50 3HD2 LEU 50 3.038 -0.687 -6.534 408 H PHE 51 H PHE 51 3.712 -4.124 -3.678 409 HA PHE 51 HA PHE 51 5.659 -4.168 -5.883 410 1HB PHE 51 1HB PHE 51 4.707 -6.416 -4.068 411 2HB PHE 51 2HB PHE 51 5.775 -6.617 -5.452 412 HD1 PHE 51 HD1 PHE 51 5.485 -5.218 -2.040 413 HD2 PHE 51 HD2 PHE 51 8.101 -6.233 -5.233 414 HE1 PHE 51 HE1 PHE 51 7.427 -4.932 -0.548 415 HE2 PHE 51 HE2 PHE 51 10.037 -5.945 -3.748 416 HZ PHE 51 HZ PHE 51 9.697 -5.295 -1.401 417 H ASP 52 H ASP 52 4.857 -5.343 -7.831 418 HA ASP 52 HA ASP 52 2.051 -4.925 -8.083 419 1HB ASP 52 1HB ASP 52 2.334 -5.289 -10.351 420 2HB ASP 52 2HB ASP 52 3.708 -4.341 -9.874 421 H GLY 53 H GLY 53 1.326 -6.757 -9.834 422 1HA GLY 53 1HA GLY 53 0.544 -8.918 -8.152 423 2HA GLY 53 2HA GLY 53 0.200 -8.793 -9.869 424 H ASP 54 H ASP 54 3.055 -8.519 -10.546 425 HA ASP 54 HA ASP 54 3.667 -11.309 -10.609 426 1HB ASP 54 1HB ASP 54 4.882 -8.899 -11.897 427 2HB ASP 54 2HB ASP 54 5.736 -10.433 -11.892 428 H ASP 55 H ASP 55 5.639 -8.432 -9.590 429 HA ASP 55 HA ASP 55 6.517 -9.714 -7.294 430 1HB ASP 55 1HB ASP 55 7.624 -11.294 -8.693 431 2HB ASP 55 2HB ASP 55 8.381 -10.018 -9.625 432 H GLN 56 H GLN 56 7.507 -7.500 -9.857 433 HA GLN 56 HA GLN 56 9.600 -6.340 -8.448 434 1HB GLN 56 1HB GLN 56 9.499 -4.492 -10.068 435 2HB GLN 56 2HB GLN 56 9.671 -6.101 -10.752 436 1HG GLN 56 1HG GLN 56 7.326 -6.096 -11.369 437 2HG GLN 56 2HG GLN 56 7.102 -4.543 -10.568 438 1HE2 GLN 56 1HE2 GLN 56 8.497 -6.168 -13.286 439 2HE2 GLN 56 2HE2 GLN 56 8.768 -4.764 -14.249 440 H LEU 57 H LEU 57 9.943 -4.687 -7.344 441 HA LEU 57 HA LEU 57 7.874 -3.504 -5.791 442 1HB LEU 57 1HB LEU 57 10.083 -3.929 -4.864 443 2HB LEU 57 2HB LEU 57 10.819 -2.894 -6.067 444 HG LEU 57 HG LEU 57 9.661 -0.947 -5.051 445 1HD1 LEU 57 1HD1 LEU 57 8.663 -1.158 -2.849 446 2HD1 LEU 57 2HD1 LEU 57 8.834 -2.912 -2.933 447 3HD1 LEU 57 3HD1 LEU 57 7.766 -2.073 -4.057 448 1HD2 LEU 57 1HD2 LEU 57 11.384 -2.559 -3.174 449 2HD2 LEU 57 2HD2 LEU 57 11.072 -0.830 -3.048 450 3HD2 LEU 57 3HD2 LEU 57 11.953 -1.466 -4.436 451 H LYS 58 H LYS 58 6.674 -1.894 -6.502 452 HA LYS 58 HA LYS 58 7.549 -0.321 -8.762 453 1HB LYS 58 1HB LYS 58 5.037 -0.261 -7.114 454 2HB LYS 58 2HB LYS 58 5.336 0.819 -8.461 455 1HG LYS 58 1HG LYS 58 5.148 -2.194 -8.598 456 2HG LYS 58 2HG LYS 58 3.909 -1.053 -9.131 457 1HD LYS 58 1HD LYS 58 5.559 -0.121 -10.756 458 2HD LYS 58 2HD LYS 58 6.687 -1.374 -10.269 459 1HE LYS 58 1HE LYS 58 5.163 -3.098 -11.027 460 2HE LYS 58 2HE LYS 58 3.969 -1.878 -11.472 461 1HZ LYS 58 1HZ LYS 58 5.568 -0.994 -13.094 462 2HZ LYS 58 2HZ LYS 58 5.195 -2.590 -13.405 463 3HZ LYS 58 3HZ LYS 58 6.668 -2.217 -12.694 464 H GLY 59 H GLY 59 6.826 0.132 -5.376 465 1HA GLY 59 1HA GLY 59 8.904 1.854 -4.909 466 2HA GLY 59 2HA GLY 59 7.540 2.860 -5.382 467 H GLU 60 H GLU 60 7.983 3.637 -3.190 468 HA GLU 60 HA GLU 60 6.617 1.991 -1.216 469 1HB GLU 60 1HB GLU 60 8.981 2.493 -0.709 470 2HB GLU 60 2HB GLU 60 8.632 4.207 -0.844 471 1HG GLU 60 1HG GLU 60 7.159 4.073 1.081 472 2HG GLU 60 2HG GLU 60 7.455 2.339 1.198 473 H LEU 61 H LEU 61 4.879 2.826 -0.283 474 HA LEU 61 HA LEU 61 3.954 5.455 -1.255 475 1HB LEU 61 1HB LEU 61 2.327 3.110 -0.291 476 2HB LEU 61 2HB LEU 61 1.683 4.668 -0.788 477 HG LEU 61 HG LEU 61 3.109 2.688 -2.568 478 1HD1 LEU 61 1HD1 LEU 61 0.941 1.880 -1.870 479 2HD1 LEU 61 2HD1 LEU 61 0.898 2.375 -3.566 480 3HD1 LEU 61 3HD1 LEU 61 0.200 3.412 -2.328 481 1HD2 LEU 61 1HD2 LEU 61 3.432 4.998 -3.290 482 2HD2 LEU 61 2HD2 LEU 61 1.692 5.270 -3.232 483 3HD2 LEU 61 3HD2 LEU 61 2.368 4.131 -4.394 484 H THR 62 H THR 62 2.482 3.945 1.152 485 HA THR 62 HA THR 62 2.206 4.104 3.368 486 HB THR 62 HB THR 62 4.783 4.090 3.622 487 HG1 THR 62 HG1 THR 62 3.699 5.681 5.613 488 1HG2 THR 62 1HG2 THR 62 5.246 6.381 2.795 489 2HG2 THR 62 2HG2 THR 62 5.846 6.154 4.438 490 3HG2 THR 62 3HG2 THR 62 4.348 7.046 4.159 491 H ASP 63 H ASP 63 1.796 6.484 1.339 492 HA ASP 63 HA ASP 63 0.941 8.564 3.118 493 1HB ASP 63 1HB ASP 63 0.353 8.111 0.192 494 2HB ASP 63 2HB ASP 63 -0.085 9.554 1.063 495 H GLY 64 H GLY 64 -0.996 8.731 4.016 496 1HA GLY 64 1HA GLY 64 -3.061 6.941 2.971 497 2HA GLY 64 2HA GLY 64 -2.943 7.051 4.669 498 H ALA 65 H ALA 65 -2.367 10.017 3.099 499 HA ALA 65 HA ALA 65 -5.021 10.956 3.748 500 1HB ALA 65 1HB ALA 65 -4.186 13.138 2.950 501 2HB ALA 65 2HB ALA 65 -2.724 12.363 2.359 502 3HB ALA 65 3HB ALA 65 -3.048 12.423 4.091 503 H LYS 66 H LYS 66 -3.573 9.320 1.376 504 HA LYS 66 HA LYS 66 -5.394 10.174 -0.744 505 1HB LYS 66 1HB LYS 66 -2.797 8.656 -0.831 506 2HB LYS 66 2HB LYS 66 -3.817 8.947 -2.224 507 1HG LYS 66 1HG LYS 66 -3.506 11.289 -2.021 508 2HG LYS 66 2HG LYS 66 -2.512 11.091 -0.559 509 1HD LYS 66 1HD LYS 66 -0.902 9.793 -1.885 510 2HD LYS 66 2HD LYS 66 -1.908 10.011 -3.316 511 1HE LYS 66 1HE LYS 66 -1.545 12.464 -3.107 512 2HE LYS 66 2HE LYS 66 -0.473 12.146 -1.746 513 1HZ LYS 66 1HZ LYS 66 -0.071 11.139 -4.507 514 2HZ LYS 66 2HZ LYS 66 0.936 10.837 -3.198 515 3HZ LYS 66 3HZ LYS 66 0.800 12.399 -3.786 516 H SER 67 H SER 67 -6.312 8.368 -2.026 517 HA SER 67 HA SER 67 -7.175 6.241 -0.312 518 1HB SER 67 1HB SER 67 -7.834 6.806 -3.192 519 2HB SER 67 2HB SER 67 -8.770 5.890 -2.020 520 HG SER 67 HG SER 67 -9.023 8.379 -2.603 521 H LEU 68 H LEU 68 -7.129 4.074 -1.306 522 HA LEU 68 HA LEU 68 -4.608 3.228 -2.204 523 1HB LEU 68 1HB LEU 68 -7.296 1.913 -2.575 524 2HB LEU 68 2HB LEU 68 -5.759 1.118 -2.820 525 HG LEU 68 HG LEU 68 -6.810 2.162 -0.186 526 1HD1 LEU 68 1HD1 LEU 68 -7.991 0.183 -0.957 527 2HD1 LEU 68 2HD1 LEU 68 -6.961 -0.196 0.422 528 3HD1 LEU 68 3HD1 LEU 68 -6.458 -0.651 -1.206 529 1HD2 LEU 68 1HD2 LEU 68 -4.370 2.313 -0.299 530 2HD2 LEU 68 2HD2 LEU 68 -4.286 0.630 -0.818 531 3HD2 LEU 68 3HD2 LEU 68 -4.868 1.024 0.798 532 H LYS 69 H LYS 69 -7.448 4.266 -3.854 533 HA LYS 69 HA LYS 69 -6.646 3.444 -6.477 534 1HB LYS 69 1HB LYS 69 -9.013 3.765 -5.774 535 2HB LYS 69 2HB LYS 69 -8.701 5.472 -5.623 536 1HG LYS 69 1HG LYS 69 -9.880 4.948 -7.677 537 2HG LYS 69 2HG LYS 69 -8.299 5.666 -7.986 538 1HD LYS 69 1HD LYS 69 -7.375 3.499 -8.529 539 2HD LYS 69 2HD LYS 69 -8.880 2.702 -8.068 540 1HE LYS 69 1HE LYS 69 -8.657 2.918 -10.510 541 2HE LYS 69 2HE LYS 69 -10.053 3.789 -9.892 542 1HZ LYS 69 1HZ LYS 69 -8.844 5.066 -11.540 543 2HZ LYS 69 2HZ LYS 69 -7.443 5.071 -10.603 544 3HZ LYS 69 3HZ LYS 69 -8.823 5.850 -10.064 545 H ASP 70 H ASP 70 -6.435 6.389 -4.540 546 HA ASP 70 HA ASP 70 -5.630 8.164 -6.578 547 1HB ASP 70 1HB ASP 70 -6.589 8.629 -4.263 548 2HB ASP 70 2HB ASP 70 -4.994 8.272 -3.643 549 H LEU 71 H LEU 71 -4.036 6.002 -4.375 550 HA LEU 71 HA LEU 71 -1.346 6.811 -4.995 551 1HB LEU 71 1HB LEU 71 -2.463 4.466 -3.503 552 2HB LEU 71 2HB LEU 71 -0.749 4.800 -3.660 553 HG LEU 71 HG LEU 71 -2.734 6.665 -2.327 554 1HD1 LEU 71 1HD1 LEU 71 -0.728 4.794 -1.132 555 2HD1 LEU 71 2HD1 LEU 71 -2.480 4.568 -1.111 556 3HD1 LEU 71 3HD1 LEU 71 -1.752 5.927 -0.256 557 1HD2 LEU 71 1HD2 LEU 71 -0.770 7.787 -3.260 558 2HD2 LEU 71 2HD2 LEU 71 0.277 6.644 -2.420 559 3HD2 LEU 71 3HD2 LEU 71 -0.731 7.756 -1.500 560 H GLY 72 H GLY 72 -3.574 4.762 -6.521 561 1HA GLY 72 1HA GLY 72 -3.221 3.731 -8.607 562 2HA GLY 72 2HA GLY 72 -1.490 3.908 -8.368 563 H VAL 73 H VAL 73 -3.521 2.506 -5.922 564 HA VAL 73 HA VAL 73 -2.161 -0.047 -6.203 565 HB VAL 73 HB VAL 73 -4.279 0.816 -4.211 566 1HG1 VAL 73 1HG1 VAL 73 -4.112 -1.584 -4.374 567 2HG1 VAL 73 2HG1 VAL 73 -3.443 -1.048 -2.831 568 3HG1 VAL 73 3HG1 VAL 73 -2.366 -1.504 -4.152 569 1HG2 VAL 73 1HG2 VAL 73 -2.339 2.256 -3.975 570 2HG2 VAL 73 2HG2 VAL 73 -1.283 0.850 -3.898 571 3HG2 VAL 73 3HG2 VAL 73 -2.435 1.153 -2.600 572 H ARG 74 H ARG 74 -3.219 -1.875 -6.944 573 HA ARG 74 HA ARG 74 -6.065 -1.622 -7.637 574 1HB ARG 74 1HB ARG 74 -3.934 -3.017 -9.260 575 2HB ARG 74 2HB ARG 74 -5.641 -2.927 -9.648 576 1HG ARG 74 1HG ARG 74 -5.455 -0.549 -10.048 577 2HG ARG 74 2HG ARG 74 -3.760 -0.576 -9.545 578 1HD ARG 74 1HD ARG 74 -3.279 -2.171 -11.356 579 2HD ARG 74 2HD ARG 74 -4.953 -2.046 -11.885 580 HE ARG 74 HE ARG 74 -4.153 0.486 -11.892 581 1HH1 ARG 74 1HH1 ARG 74 -2.713 -2.450 -13.233 582 2HH1 ARG 74 2HH1 ARG 74 -2.009 -1.694 -14.590 583 1HH2 ARG 74 1HH2 ARG 74 -3.173 1.563 -13.786 584 2HH2 ARG 74 2HH2 ARG 74 -2.269 0.631 -14.900 585 H ASP 75 H ASP 75 -6.674 -4.123 -8.340 586 HA ASP 75 HA ASP 75 -6.187 -5.570 -5.910 587 1HB ASP 75 1HB ASP 75 -7.812 -7.212 -6.770 588 2HB ASP 75 2HB ASP 75 -8.460 -5.590 -6.667 589 H GLY 76 H GLY 76 -5.447 -7.515 -5.748 590 1HA GLY 76 1HA GLY 76 -4.092 -9.376 -6.271 591 2HA GLY 76 2HA GLY 76 -4.032 -8.812 -7.933 592 H TYR 77 H TYR 77 -3.252 -6.385 -5.669 593 HA TYR 77 HA TYR 77 -0.441 -6.689 -6.427 594 1HB TYR 77 1HB TYR 77 -2.019 -4.249 -5.617 595 2HB TYR 77 2HB TYR 77 -0.260 -4.250 -5.665 596 HD1 TYR 77 HD1 TYR 77 -3.050 -5.348 -7.916 597 HD2 TYR 77 HD2 TYR 77 0.657 -3.313 -7.570 598 HE1 TYR 77 HE1 TYR 77 -3.131 -4.818 -10.305 599 HE2 TYR 77 HE2 TYR 77 0.588 -2.773 -9.971 600 HH TYR 77 HH TYR 77 -0.476 -3.663 -12.016 601 H ARG 78 H ARG 78 1.207 -6.123 -4.865 602 HA ARG 78 HA ARG 78 0.406 -7.290 -2.309 603 1HB ARG 78 1HB ARG 78 3.034 -7.245 -3.739 604 2HB ARG 78 2HB ARG 78 2.820 -7.879 -2.108 605 1HG ARG 78 1HG ARG 78 1.339 -9.584 -2.965 606 2HG ARG 78 2HG ARG 78 1.454 -8.898 -4.591 607 1HD ARG 78 1HD ARG 78 3.839 -9.347 -4.595 608 2HD ARG 78 2HD ARG 78 3.723 -10.031 -2.972 609 HE ARG 78 HE ARG 78 2.174 -11.669 -3.960 610 1HH1 ARG 78 1HH1 ARG 78 4.723 -10.141 -5.865 611 2HH1 ARG 78 2HH1 ARG 78 4.804 -11.351 -7.065 612 1HH2 ARG 78 1HH2 ARG 78 2.316 -13.402 -5.567 613 2HH2 ARG 78 2HH2 ARG 78 3.399 -13.290 -6.884 614 H ILE 79 H ILE 79 0.389 -6.064 -0.674 615 HA ILE 79 HA ILE 79 2.001 -3.647 -0.695 616 HB ILE 79 HB ILE 79 -0.601 -4.218 0.778 617 1HG1 ILE 79 1HG1 ILE 79 -1.355 -2.080 -0.290 618 2HG1 ILE 79 2HG1 ILE 79 0.182 -1.982 -1.124 619 1HG2 ILE 79 1HG2 ILE 79 1.253 -1.912 1.178 620 2HG2 ILE 79 2HG2 ILE 79 0.910 -3.177 2.362 621 3HG2 ILE 79 3HG2 ILE 79 -0.359 -2.035 1.888 622 1HD1 ILE 79 1HD1 ILE 79 -0.375 -4.028 -2.348 623 2HD1 ILE 79 2HD1 ILE 79 -1.590 -2.768 -2.580 624 3HD1 ILE 79 3HD1 ILE 79 -1.906 -4.111 -1.483 625 H HIS 80 H HIS 80 3.653 -3.680 0.423 626 HA HIS 80 HA HIS 80 4.066 -5.767 2.418 627 1HB HIS 80 1HB HIS 80 5.629 -5.841 0.622 628 2HB HIS 80 2HB HIS 80 5.944 -4.116 0.751 629 HD1 HIS 80 HD1 HIS 80 6.558 -7.334 2.579 630 HD2 HIS 80 HD2 HIS 80 7.962 -3.448 2.394 631 HE1 HIS 80 HE1 HIS 80 8.503 -7.300 4.149 632 HE2 HIS 80 HE2 HIS 80 9.617 -5.123 3.501 633 H ALA 81 H ALA 81 3.990 -5.214 4.466 634 HA ALA 81 HA ALA 81 4.473 -2.426 5.200 635 1HB ALA 81 1HB ALA 81 2.325 -3.443 5.853 636 2HB ALA 81 2HB ALA 81 3.269 -2.941 7.234 637 3HB ALA 81 3HB ALA 81 3.190 -4.658 6.796 638 H VAL 82 H VAL 82 6.178 -1.919 6.558 639 HA VAL 82 HA VAL 82 7.615 -4.104 7.785 640 HB VAL 82 HB VAL 82 8.544 -3.924 5.577 641 1HG1 VAL 82 1HG1 VAL 82 9.808 -1.945 4.827 642 2HG1 VAL 82 2HG1 VAL 82 9.224 -1.068 6.241 643 3HG1 VAL 82 3HG1 VAL 82 8.084 -1.626 5.020 644 1HG2 VAL 82 1HG2 VAL 82 10.446 -2.869 7.657 645 2HG2 VAL 82 2HG2 VAL 82 10.882 -3.697 6.150 646 3HG2 VAL 82 3HG2 VAL 82 10.011 -4.558 7.413 647 H ASP 83 H ASP 83 8.445 -3.607 9.672 648 HA ASP 83 HA ASP 83 8.121 -0.982 10.806 649 1HB ASP 83 1HB ASP 83 7.720 -2.903 12.225 650 2HB ASP 83 2HB ASP 83 9.322 -3.537 11.888 651 H VAL 84 H VAL 84 9.612 0.551 10.971 652 HA VAL 84 HA VAL 84 12.310 -0.027 9.956 653 HB VAL 84 HB VAL 84 11.090 2.655 10.578 654 1HG1 VAL 84 1HG1 VAL 84 13.405 1.916 8.795 655 2HG1 VAL 84 2HG1 VAL 84 13.504 2.690 10.373 656 3HG1 VAL 84 3HG1 VAL 84 12.763 3.545 9.018 657 1HG2 VAL 84 1HG2 VAL 84 9.665 1.572 8.960 658 2HG2 VAL 84 2HG2 VAL 84 11.064 1.195 7.951 659 3HG2 VAL 84 3HG2 VAL 84 10.578 2.870 8.190 660 H THR 85 H THR 85 10.656 0.273 12.850 661 HA THR 85 HA THR 85 12.336 1.871 14.453 662 HB THR 85 HB THR 85 10.683 -0.445 15.445 663 HG1 THR 85 HG1 THR 85 9.148 0.425 14.370 664 1HG2 THR 85 1HG2 THR 85 11.219 2.327 16.542 665 2HG2 THR 85 2HG2 THR 85 11.980 0.839 17.100 666 3HG2 THR 85 3HG2 THR 85 10.248 1.081 17.326 667 H GLY 86 H GLY 86 12.324 -1.517 13.572 668 1HA GLY 86 1HA GLY 86 14.425 -2.198 15.468 669 2HA GLY 86 2HA GLY 86 13.642 -3.294 14.336 670 H GLY 87 H GLY 87 14.516 -0.604 12.625 671 1HA GLY 87 1HA GLY 87 16.234 -0.085 11.181 672 2HA GLY 87 2HA GLY 87 17.305 -0.993 12.239 673 H ASN 88 H ASN 88 14.564 -2.562 11.006 674 HA ASN 88 HA ASN 88 16.275 -4.280 9.390 675 1HB ASN 88 1HB ASN 88 14.323 -5.848 9.444 676 2HB ASN 88 2HB ASN 88 14.958 -5.464 11.040 677 1HD2 ASN 88 1HD2 ASN 88 12.260 -5.161 8.884 678 2HD2 ASN 88 2HD2 ASN 88 11.193 -4.422 10.031 679 H GLU 89 H GLU 89 16.070 -4.488 7.233 680 HA GLU 89 HA GLU 89 15.433 -4.126 5.081 681 1HB GLU 89 1HB GLU 89 12.765 -3.574 6.346 682 2HB GLU 89 2HB GLU 89 13.012 -3.909 4.631 683 1HG GLU 89 1HG GLU 89 13.526 -5.819 6.916 684 2HG GLU 89 2HG GLU 89 12.121 -5.851 5.860 685 H ASP 90 H ASP 90 16.474 -1.949 6.724 686 HA ASP 90 HA ASP 90 15.101 0.413 6.446 687 1HB ASP 90 1HB ASP 90 17.217 1.458 7.042 688 2HB ASP 90 2HB ASP 90 16.870 0.094 8.086 Start of MODEL 5 1 H MET 1 H MET 1 -19.008 3.706 -6.990 2 HA MET 1 HA MET 1 -20.136 2.039 -8.296 3 1HB MET 1 1HB MET 1 -17.368 1.633 -9.467 4 2HB MET 1 2HB MET 1 -18.727 0.565 -9.750 5 1HG MET 1 1HG MET 1 -19.906 2.377 -10.880 6 2HG MET 1 2HG MET 1 -18.545 3.455 -10.583 7 1HE MET 1 1HE MET 1 -18.450 4.053 -13.160 8 2HE MET 1 2HE MET 1 -19.817 2.982 -13.463 9 3HE MET 1 3HE MET 1 -18.362 2.849 -14.445 10 H THR 2 H THR 2 -19.498 -0.499 -7.951 11 HA THR 2 HA THR 2 -18.609 -0.721 -5.274 12 HB THR 2 HB THR 2 -18.552 -3.200 -5.783 13 HG1 THR 2 HG1 THR 2 -18.079 -2.585 -8.089 14 1HG2 THR 2 1HG2 THR 2 -20.641 -2.159 -5.023 15 2HG2 THR 2 2HG2 THR 2 -20.969 -3.445 -6.188 16 3HG2 THR 2 3HG2 THR 2 -21.047 -1.758 -6.691 17 H GLU 3 H GLU 3 -16.539 -0.482 -4.679 18 HA GLU 3 HA GLU 3 -14.474 -1.297 -6.543 19 1HB GLU 3 1HB GLU 3 -14.722 1.455 -5.335 20 2HB GLU 3 2HB GLU 3 -13.290 0.853 -6.164 21 1HG GLU 3 1HG GLU 3 -14.440 0.628 -8.202 22 2HG GLU 3 2HG GLU 3 -15.979 0.891 -7.369 23 H VAL 4 H VAL 4 -13.688 -2.775 -5.459 24 HA VAL 4 HA VAL 4 -12.445 -2.231 -2.920 25 HB VAL 4 HB VAL 4 -13.157 -4.558 -2.101 26 1HG1 VAL 4 1HG1 VAL 4 -15.357 -3.803 -1.285 27 2HG1 VAL 4 2HG1 VAL 4 -15.306 -2.456 -2.426 28 3HG1 VAL 4 3HG1 VAL 4 -14.124 -2.559 -1.123 29 1HG2 VAL 4 1HG2 VAL 4 -15.239 -4.228 -4.263 30 2HG2 VAL 4 2HG2 VAL 4 -15.226 -5.497 -3.040 31 3HG2 VAL 4 3HG2 VAL 4 -13.949 -5.424 -4.254 32 H TYR 5 H TYR 5 -10.499 -3.022 -2.835 33 HA TYR 5 HA TYR 5 -9.521 -4.829 -5.021 34 1HB TYR 5 1HB TYR 5 -8.005 -2.789 -3.401 35 2HB TYR 5 2HB TYR 5 -7.330 -3.854 -4.620 36 HD1 TYR 5 HD1 TYR 5 -8.190 -0.611 -4.029 37 HD2 TYR 5 HD2 TYR 5 -8.786 -3.619 -6.967 38 HE1 TYR 5 HE1 TYR 5 -8.556 1.123 -5.726 39 HE2 TYR 5 HE2 TYR 5 -9.153 -1.878 -8.673 40 HH TYR 5 HH TYR 5 -9.826 0.468 -8.805 41 H ASP 6 H ASP 6 -8.465 -6.548 -4.594 42 HA ASP 6 HA ASP 6 -8.347 -7.372 -1.801 43 1HB ASP 6 1HB ASP 6 -7.735 -8.880 -4.323 44 2HB ASP 6 2HB ASP 6 -7.683 -9.571 -2.724 45 H LEU 7 H LEU 7 -6.603 -6.926 -0.829 46 HA LEU 7 HA LEU 7 -4.168 -6.483 -2.358 47 1HB LEU 7 1HB LEU 7 -5.042 -5.494 0.343 48 2HB LEU 7 2HB LEU 7 -3.396 -5.376 -0.218 49 HG LEU 7 HG LEU 7 -4.239 -3.896 -2.099 50 1HD1 LEU 7 1HD1 LEU 7 -6.526 -4.616 -2.168 51 2HD1 LEU 7 2HD1 LEU 7 -6.377 -2.875 -1.940 52 3HD1 LEU 7 3HD1 LEU 7 -6.815 -3.900 -0.584 53 1HD2 LEU 7 1HD2 LEU 7 -4.512 -1.927 -0.703 54 2HD2 LEU 7 2HD2 LEU 7 -3.244 -2.978 -0.059 55 3HD2 LEU 7 3HD2 LEU 7 -4.831 -2.954 0.691 56 H GLU 8 H GLU 8 -2.342 -7.566 -1.842 57 HA GLU 8 HA GLU 8 -2.660 -9.658 0.161 58 1HB GLU 8 1HB GLU 8 -2.428 -10.327 -2.211 59 2HB GLU 8 2HB GLU 8 -0.845 -9.561 -2.277 60 1HG GLU 8 1HG GLU 8 -1.558 -11.863 -0.457 61 2HG GLU 8 2HG GLU 8 -0.915 -12.079 -2.075 62 H ILE 9 H ILE 9 -1.601 -9.287 1.856 63 HA ILE 9 HA ILE 9 0.409 -7.135 1.862 64 HB ILE 9 HB ILE 9 -1.260 -8.067 4.198 65 1HG1 ILE 9 1HG1 ILE 9 -2.215 -5.682 4.113 66 2HG1 ILE 9 2HG1 ILE 9 -1.514 -5.562 2.510 67 1HG2 ILE 9 1HG2 ILE 9 0.703 -5.798 4.068 68 2HG2 ILE 9 2HG2 ILE 9 0.876 -7.303 4.968 69 3HG2 ILE 9 3HG2 ILE 9 -0.365 -6.139 5.431 70 1HD1 ILE 9 1HD1 ILE 9 -3.866 -6.074 2.397 71 2HD1 ILE 9 2HD1 ILE 9 -3.636 -7.501 3.403 72 3HD1 ILE 9 3HD1 ILE 9 -2.929 -7.438 1.786 73 H THR 10 H THR 10 2.311 -7.530 2.420 74 HA THR 10 HA THR 10 2.916 -9.941 3.946 75 HB THR 10 HB THR 10 5.262 -9.697 3.026 76 HG1 THR 10 HG1 THR 10 4.201 -8.452 0.806 77 1HG2 THR 10 1HG2 THR 10 3.789 -11.444 2.327 78 2HG2 THR 10 2HG2 THR 10 4.756 -10.869 0.963 79 3HG2 THR 10 3HG2 THR 10 3.050 -10.396 1.110 80 H THR 11 H THR 11 4.483 -9.728 5.576 81 HA THR 11 HA THR 11 5.218 -7.080 6.294 82 HB THR 11 HB THR 11 4.853 -8.011 8.609 83 HG1 THR 11 HG1 THR 11 2.837 -9.512 7.430 84 1HG2 THR 11 1HG2 THR 11 2.408 -7.294 6.972 85 2HG2 THR 11 2HG2 THR 11 3.495 -6.158 7.782 86 3HG2 THR 11 3HG2 THR 11 2.497 -7.246 8.736 87 H ASN 12 H ASN 12 6.997 -7.298 7.854 88 HA ASN 12 HA ASN 12 8.736 -9.446 7.135 89 1HB ASN 12 1HB ASN 12 10.352 -8.390 8.568 90 2HB ASN 12 2HB ASN 12 9.529 -7.126 7.665 91 1HD2 ASN 12 1HD2 ASN 12 10.086 -8.506 10.748 92 2HD2 ASN 12 2HD2 ASN 12 9.274 -7.333 11.704 93 H ALA 13 H ALA 13 6.422 -8.800 9.514 94 HA ALA 13 HA ALA 13 7.221 -10.641 11.486 95 1HB ALA 13 1HB ALA 13 5.631 -8.829 11.934 96 2HB ALA 13 2HB ALA 13 4.922 -10.394 12.318 97 3HB ALA 13 3HB ALA 13 4.476 -9.566 10.826 98 H THR 14 H THR 14 4.891 -10.793 8.795 99 HA THR 14 HA THR 14 5.180 -13.696 8.926 100 HB THR 14 HB THR 14 2.884 -13.923 7.974 101 HG1 THR 14 HG1 THR 14 3.006 -11.145 8.205 102 1HG2 THR 14 1HG2 THR 14 1.643 -13.460 10.058 103 2HG2 THR 14 2HG2 THR 14 2.996 -12.484 10.630 104 3HG2 THR 14 3HG2 THR 14 3.203 -14.214 10.384 105 H ASP 15 H ASP 15 5.941 -14.578 7.135 106 HA ASP 15 HA ASP 15 6.286 -12.774 4.853 107 1HB ASP 15 1HB ASP 15 8.285 -13.935 5.840 108 2HB ASP 15 2HB ASP 15 7.586 -15.471 5.356 109 H PHE 16 H PHE 16 4.040 -14.672 5.827 110 HA PHE 16 HA PHE 16 3.546 -16.261 3.470 111 1HB PHE 16 1HB PHE 16 1.858 -15.858 5.952 112 2HB PHE 16 2HB PHE 16 1.544 -17.025 4.679 113 HD1 PHE 16 HD1 PHE 16 3.435 -16.276 7.655 114 HD2 PHE 16 HD2 PHE 16 3.075 -18.944 4.365 115 HE1 PHE 16 HE1 PHE 16 4.817 -17.906 8.843 116 HE2 PHE 16 HE2 PHE 16 4.461 -20.595 5.545 117 HZ PHE 16 HZ PHE 16 5.340 -20.084 7.792 118 HA PRO 17 HA PRO 17 1.098 -13.059 1.554 119 1HB PRO 17 1HB PRO 17 -0.546 -15.101 0.317 120 2HB PRO 17 2HB PRO 17 0.568 -13.972 -0.451 121 1HG PRO 17 1HG PRO 17 1.094 -16.633 -0.307 122 2HG PRO 17 2HG PRO 17 2.363 -15.400 -0.283 123 1HD PRO 17 1HD PRO 17 1.190 -16.956 1.970 124 2HD PRO 17 2HD PRO 17 2.877 -16.471 1.677 125 H MET 18 H MET 18 -0.461 -12.012 2.437 126 HA MET 18 HA MET 18 -2.758 -13.467 3.586 127 1HB MET 18 1HB MET 18 -1.196 -12.519 5.322 128 2HB MET 18 2HB MET 18 -1.453 -10.932 4.637 129 1HG MET 18 1HG MET 18 -3.617 -12.621 5.861 130 2HG MET 18 2HG MET 18 -2.696 -11.421 6.749 131 1HE MET 18 1HE MET 18 -6.267 -9.778 6.424 132 2HE MET 18 2HE MET 18 -5.002 -10.310 7.534 133 3HE MET 18 3HE MET 18 -5.920 -11.493 6.603 134 H GLU 19 H GLU 19 -4.610 -12.887 2.569 135 HA GLU 19 HA GLU 19 -4.484 -10.351 1.129 136 1HB GLU 19 1HB GLU 19 -6.007 -11.262 -0.559 137 2HB GLU 19 2HB GLU 19 -4.511 -12.167 -0.467 138 1HG GLU 19 1HG GLU 19 -5.622 -13.935 0.762 139 2HG GLU 19 2HG GLU 19 -7.119 -13.005 0.772 140 H LYS 20 H LYS 20 -6.004 -8.936 1.334 141 HA LYS 20 HA LYS 20 -8.486 -9.643 2.644 142 1HB LYS 20 1HB LYS 20 -6.651 -8.999 4.350 143 2HB LYS 20 2HB LYS 20 -6.770 -7.377 3.699 144 1HG LYS 20 1HG LYS 20 -9.007 -8.909 5.044 145 2HG LYS 20 2HG LYS 20 -7.998 -7.691 5.807 146 1HD LYS 20 1HD LYS 20 -8.867 -6.011 4.287 147 2HD LYS 20 2HD LYS 20 -9.827 -7.233 3.458 148 1HE LYS 20 1HE LYS 20 -11.038 -7.665 5.555 149 2HE LYS 20 2HE LYS 20 -10.095 -6.394 6.336 150 1HZ LYS 20 1HZ LYS 20 -12.268 -5.625 5.597 151 2HZ LYS 20 2HZ LYS 20 -11.860 -5.963 3.985 152 3HZ LYS 20 3HZ LYS 20 -11.034 -4.787 4.831 153 H LYS 21 H LYS 21 -10.079 -8.333 1.910 154 HA LYS 21 HA LYS 21 -9.349 -6.560 -0.274 155 1HB LYS 21 1HB LYS 21 -10.820 -8.403 -0.820 156 2HB LYS 21 2HB LYS 21 -11.938 -7.904 0.435 157 1HG LYS 21 1HG LYS 21 -12.615 -6.022 -0.777 158 2HG LYS 21 2HG LYS 21 -11.287 -6.176 -1.933 159 1HD LYS 21 1HD LYS 21 -13.393 -6.986 -2.903 160 2HD LYS 21 2HD LYS 21 -12.213 -8.280 -2.731 161 1HE LYS 21 1HE LYS 21 -13.349 -8.992 -0.653 162 2HE LYS 21 2HE LYS 21 -14.555 -7.731 -0.913 163 1HZ LYS 21 1HZ LYS 21 -15.310 -9.890 -1.704 164 2HZ LYS 21 2HZ LYS 21 -14.022 -10.004 -2.763 165 3HZ LYS 21 3HZ LYS 21 -15.186 -8.804 -2.973 166 H TYR 22 H TYR 22 -9.562 -4.479 -0.216 167 HA TYR 22 HA TYR 22 -11.071 -3.210 1.976 168 1HB TYR 22 1HB TYR 22 -8.440 -2.282 0.773 169 2HB TYR 22 2HB TYR 22 -9.326 -1.473 2.047 170 HD1 TYR 22 HD1 TYR 22 -9.168 -2.270 4.352 171 HD2 TYR 22 HD2 TYR 22 -7.182 -4.334 1.213 172 HE1 TYR 22 HE1 TYR 22 -7.810 -3.495 6.009 173 HE2 TYR 22 HE2 TYR 22 -5.836 -5.550 2.840 174 HH TYR 22 HH TYR 22 -5.068 -5.322 5.095 175 HA PRO 23 HA PRO 23 -13.025 -0.859 -1.341 176 1HB PRO 23 1HB PRO 23 -12.796 1.547 0.340 177 2HB PRO 23 2HB PRO 23 -14.249 0.782 -0.294 178 1HG PRO 23 1HG PRO 23 -13.640 0.634 2.304 179 2HG PRO 23 2HG PRO 23 -14.356 -0.739 1.436 180 1HD PRO 23 1HD PRO 23 -11.505 -0.304 2.256 181 2HD PRO 23 2HD PRO 23 -12.491 -1.783 2.300 182 H ALA 24 H ALA 24 -12.471 0.406 -3.050 183 HA ALA 24 HA ALA 24 -9.796 1.073 -3.500 184 1HB ALA 24 1HB ALA 24 -12.237 2.161 -4.865 185 2HB ALA 24 2HB ALA 24 -11.452 0.624 -5.236 186 3HB ALA 24 3HB ALA 24 -10.602 2.134 -5.528 187 H GLY 25 H GLY 25 -12.367 2.878 -2.264 188 1HA GLY 25 1HA GLY 25 -10.903 5.401 -2.383 189 2HA GLY 25 2HA GLY 25 -12.569 5.200 -1.871 190 H MET 26 H MET 26 -10.569 2.948 -0.278 191 HA MET 26 HA MET 26 -10.880 4.470 2.153 192 1HB MET 26 1HB MET 26 -11.083 1.948 1.875 193 2HB MET 26 2HB MET 26 -9.317 1.898 1.902 194 1HG MET 26 1HG MET 26 -10.214 1.405 4.083 195 2HG MET 26 2HG MET 26 -9.406 2.975 4.133 196 1HE MET 26 1HE MET 26 -12.533 3.411 6.562 197 2HE MET 26 2HE MET 26 -10.773 3.455 6.466 198 3HE MET 26 3HE MET 26 -11.626 1.920 6.314 199 H SER 27 H SER 27 -9.031 4.884 3.622 200 HA SER 27 HA SER 27 -6.865 6.279 2.188 201 1HB SER 27 1HB SER 27 -7.233 6.075 5.178 202 2HB SER 27 2HB SER 27 -6.464 7.317 4.224 203 HG SER 27 HG SER 27 -8.674 7.586 5.132 204 H LEU 28 H LEU 28 -4.787 5.741 2.166 205 HA LEU 28 HA LEU 28 -4.023 3.083 2.711 206 1HB LEU 28 1HB LEU 28 -2.988 4.895 1.153 207 2HB LEU 28 2HB LEU 28 -2.157 5.410 2.573 208 HG LEU 28 HG LEU 28 -0.737 4.004 1.067 209 1HD1 LEU 28 1HD1 LEU 28 0.256 2.625 2.817 210 2HD1 LEU 28 2HD1 LEU 28 -1.157 2.918 3.825 211 3HD1 LEU 28 3HD1 LEU 28 -0.105 4.260 3.375 212 1HD2 LEU 28 1HD2 LEU 28 -2.555 1.776 1.970 213 2HD2 LEU 28 2HD2 LEU 28 -1.047 1.578 1.088 214 3HD2 LEU 28 3HD2 LEU 28 -2.405 2.410 0.332 215 H ASN 29 H ASN 29 -3.872 6.004 4.537 216 HA ASN 29 HA ASN 29 -2.290 5.003 6.752 217 1HB ASN 29 1HB ASN 29 -4.276 7.279 6.715 218 2HB ASN 29 2HB ASN 29 -3.327 6.844 8.134 219 1HD2 ASN 29 1HD2 ASN 29 -3.369 9.316 6.670 220 2HD2 ASN 29 2HD2 ASN 29 -1.766 9.582 6.098 221 H ASP 30 H ASP 30 -5.730 4.800 6.073 222 HA ASP 30 HA ASP 30 -6.333 3.673 8.621 223 1HB ASP 30 1HB ASP 30 -7.958 4.698 6.982 224 2HB ASP 30 2HB ASP 30 -7.775 3.250 6.017 225 H LEU 31 H LEU 31 -5.258 2.561 5.579 226 HA LEU 31 HA LEU 31 -5.567 -0.253 5.854 227 1HB LEU 31 1HB LEU 31 -5.122 1.039 3.726 228 2HB LEU 31 2HB LEU 31 -3.519 1.343 4.290 229 HG LEU 31 HG LEU 31 -3.628 -0.365 2.501 230 1HD1 LEU 31 1HD1 LEU 31 -1.722 -0.400 3.968 231 2HD1 LEU 31 2HD1 LEU 31 -2.177 -2.038 3.498 232 3HD1 LEU 31 3HD1 LEU 31 -2.590 -1.432 5.104 233 1HD2 LEU 31 1HD2 LEU 31 -5.738 -1.380 3.058 234 2HD2 LEU 31 2HD2 LEU 31 -5.059 -2.022 4.556 235 3HD2 LEU 31 3HD2 LEU 31 -4.464 -2.594 2.998 236 H LYS 32 H LYS 32 -2.879 1.940 6.370 237 HA LYS 32 HA LYS 32 -1.009 0.133 7.552 238 1HB LYS 32 1HB LYS 32 -1.304 3.074 8.203 239 2HB LYS 32 2HB LYS 32 0.110 2.069 8.464 240 1HG LYS 32 1HG LYS 32 0.233 1.783 5.975 241 2HG LYS 32 2HG LYS 32 -1.073 2.931 5.870 242 1HD LYS 32 1HD LYS 32 1.074 4.078 5.507 243 2HD LYS 32 2HD LYS 32 0.247 4.670 6.944 244 1HE LYS 32 1HE LYS 32 1.719 3.342 8.369 245 2HE LYS 32 2HE LYS 32 2.488 2.638 6.949 246 1HZ LYS 32 1HZ LYS 32 3.395 4.818 6.389 247 2HZ LYS 32 2HZ LYS 32 3.757 4.486 8.008 248 3HZ LYS 32 3HZ LYS 32 2.501 5.519 7.627 249 H LYS 33 H LYS 33 -3.519 2.189 9.011 250 HA LYS 33 HA LYS 33 -2.908 1.698 11.632 251 1HB LYS 33 1HB LYS 33 -4.502 3.393 10.596 252 2HB LYS 33 2HB LYS 33 -5.653 2.084 10.483 253 1HG LYS 33 1HG LYS 33 -6.039 3.461 12.450 254 2HG LYS 33 2HG LYS 33 -5.635 1.793 12.876 255 1HD LYS 33 1HD LYS 33 -4.488 3.411 14.279 256 2HD LYS 33 2HD LYS 33 -3.339 2.443 13.376 257 1HE LYS 33 1HE LYS 33 -3.176 4.343 11.718 258 2HE LYS 33 2HE LYS 33 -4.214 5.286 12.785 259 1HZ LYS 33 1HZ LYS 33 -1.940 5.804 13.189 260 2HZ LYS 33 2HZ LYS 33 -1.535 4.193 13.374 261 3HZ LYS 33 3HZ LYS 33 -2.502 4.951 14.543 262 H LYS 34 H LYS 34 -4.798 -0.252 9.341 263 HA LYS 34 HA LYS 34 -5.885 -2.020 11.265 264 1HB LYS 34 1HB LYS 34 -6.523 -1.390 8.767 265 2HB LYS 34 2HB LYS 34 -5.364 -2.633 8.367 266 1HG LYS 34 1HG LYS 34 -7.808 -3.046 10.080 267 2HG LYS 34 2HG LYS 34 -7.690 -3.439 8.371 268 1HD LYS 34 1HD LYS 34 -5.889 -4.477 10.454 269 2HD LYS 34 2HD LYS 34 -7.371 -5.362 10.004 270 1HE LYS 34 1HE LYS 34 -6.365 -5.265 7.613 271 2HE LYS 34 2HE LYS 34 -4.876 -4.762 8.397 272 1HZ LYS 34 1HZ LYS 34 -6.318 -7.288 8.894 273 2HZ LYS 34 2HZ LYS 34 -4.929 -6.843 9.697 274 3HZ LYS 34 3HZ LYS 34 -4.883 -7.156 8.021 275 H LEU 35 H LEU 35 -3.003 -1.826 9.241 276 HA LEU 35 HA LEU 35 -1.923 -4.344 9.885 277 1HB LEU 35 1HB LEU 35 -0.806 -1.777 8.864 278 2HB LEU 35 2HB LEU 35 0.191 -3.176 8.945 279 HG LEU 35 HG LEU 35 -2.201 -2.675 7.197 280 1HD1 LEU 35 1HD1 LEU 35 0.674 -3.300 6.581 281 2HD1 LEU 35 2HD1 LEU 35 -0.112 -1.727 6.434 282 3HD1 LEU 35 3HD1 LEU 35 -0.603 -3.059 5.391 283 1HD2 LEU 35 1HD2 LEU 35 -1.902 -4.938 6.289 284 2HD2 LEU 35 2HD2 LEU 35 -2.379 -4.972 7.977 285 3HD2 LEU 35 3HD2 LEU 35 -0.698 -5.276 7.534 286 H GLU 36 H GLU 36 -1.457 -1.048 11.177 287 HA GLU 36 HA GLU 36 0.468 -1.453 13.077 288 1HB GLU 36 1HB GLU 36 -1.907 0.340 12.866 289 2HB GLU 36 2HB GLU 36 -0.826 0.494 14.211 290 1HG GLU 36 1HG GLU 36 1.010 0.994 12.646 291 2HG GLU 36 2HG GLU 36 -0.118 0.821 11.300 292 H LEU 37 H LEU 37 -2.969 -1.986 13.181 293 HA LEU 37 HA LEU 37 -3.173 -2.547 15.938 294 1HB LEU 37 1HB LEU 37 -5.075 -1.921 14.458 295 2HB LEU 37 2HB LEU 37 -4.903 -3.451 13.654 296 HG LEU 37 HG LEU 37 -5.528 -4.636 15.708 297 1HD1 LEU 37 1HD1 LEU 37 -4.771 -3.018 17.358 298 2HD1 LEU 37 2HD1 LEU 37 -6.478 -3.397 17.590 299 3HD1 LEU 37 3HD1 LEU 37 -6.009 -1.879 16.825 300 1HD2 LEU 37 1HD2 LEU 37 -7.219 -4.091 14.050 301 2HD2 LEU 37 2HD2 LEU 37 -7.482 -2.523 14.813 302 3HD2 LEU 37 3HD2 LEU 37 -7.898 -4.005 15.676 303 H VAL 38 H VAL 38 -2.410 -4.519 13.189 304 HA VAL 38 HA VAL 38 -2.652 -6.981 14.714 305 HB VAL 38 HB VAL 38 -1.773 -6.567 11.842 306 1HG1 VAL 38 1HG1 VAL 38 -2.164 -8.975 11.565 307 2HG1 VAL 38 2HG1 VAL 38 -2.509 -9.112 13.287 308 3HG1 VAL 38 3HG1 VAL 38 -0.895 -8.652 12.745 309 1HG2 VAL 38 1HG2 VAL 38 -4.419 -7.444 12.979 310 2HG2 VAL 38 2HG2 VAL 38 -3.996 -7.399 11.268 311 3HG2 VAL 38 3HG2 VAL 38 -4.077 -5.899 12.197 312 H VAL 39 H VAL 39 -0.078 -5.035 13.259 313 HA VAL 39 HA VAL 39 1.898 -6.963 14.184 314 HB VAL 39 HB VAL 39 2.406 -4.430 12.603 315 1HG1 VAL 39 1HG1 VAL 39 4.488 -5.540 11.917 316 2HG1 VAL 39 2HG1 VAL 39 4.094 -6.909 12.958 317 3HG1 VAL 39 3HG1 VAL 39 4.402 -5.324 13.667 318 1HG2 VAL 39 1HG2 VAL 39 1.950 -7.229 11.568 319 2HG2 VAL 39 2HG2 VAL 39 2.443 -5.843 10.592 320 3HG2 VAL 39 3HG2 VAL 39 0.860 -5.858 11.371 321 H GLY 40 H GLY 40 0.467 -4.046 15.340 322 1HA GLY 40 1HA GLY 40 0.863 -3.033 17.361 323 2HA GLY 40 2HA GLY 40 2.290 -4.041 17.575 324 H THR 41 H THR 41 2.465 -2.766 14.597 325 HA THR 41 HA THR 41 4.647 -1.048 15.151 326 HB THR 41 HB THR 41 3.002 -1.185 12.650 327 HG1 THR 41 HG1 THR 41 5.188 -2.831 13.458 328 1HG2 THR 41 1HG2 THR 41 5.178 -0.861 11.522 329 2HG2 THR 41 2HG2 THR 41 5.964 -0.750 13.096 330 3HG2 THR 41 3HG2 THR 41 4.795 0.474 12.604 331 H THR 42 H THR 42 4.652 1.216 14.223 332 HA THR 42 HA THR 42 2.182 2.694 14.881 333 HB THR 42 HB THR 42 4.942 3.928 14.925 334 HG1 THR 42 HG1 THR 42 3.686 2.256 16.876 335 1HG2 THR 42 1HG2 THR 42 2.953 5.384 15.123 336 2HG2 THR 42 2HG2 THR 42 3.914 5.396 16.601 337 3HG2 THR 42 3HG2 THR 42 2.428 4.453 16.523 338 H VAL 43 H VAL 43 2.287 4.944 13.590 339 HA VAL 43 HA VAL 43 2.062 4.268 10.856 340 HB VAL 43 HB VAL 43 2.276 7.061 11.996 341 1HG1 VAL 43 1HG1 VAL 43 1.016 6.079 9.455 342 2HG1 VAL 43 2HG1 VAL 43 2.491 7.035 9.604 343 3HG1 VAL 43 3HG1 VAL 43 0.937 7.730 10.071 344 1HG2 VAL 43 1HG2 VAL 43 -0.176 5.349 11.638 345 2HG2 VAL 43 2HG2 VAL 43 -0.170 7.049 12.102 346 3HG2 VAL 43 3HG2 VAL 43 0.540 5.839 13.172 347 H ASP 44 H ASP 44 4.522 6.251 12.485 348 HA ASP 44 HA ASP 44 5.963 6.626 10.017 349 1HB ASP 44 1HB ASP 44 5.979 8.363 11.754 350 2HB ASP 44 2HB ASP 44 6.771 7.235 12.848 351 H SER 45 H SER 45 6.047 4.431 12.700 352 HA SER 45 HA SER 45 8.606 3.422 12.176 353 1HB SER 45 1HB SER 45 6.314 2.394 13.795 354 2HB SER 45 2HB SER 45 8.005 1.912 13.873 355 HG SER 45 HG SER 45 8.529 4.045 14.548 356 H MET 46 H MET 46 5.802 3.153 10.532 357 HA MET 46 HA MET 46 6.403 0.404 9.645 358 1HB MET 46 1HB MET 46 4.109 0.692 10.482 359 2HB MET 46 2HB MET 46 3.835 1.946 9.287 360 1HG MET 46 1HG MET 46 4.183 0.320 7.494 361 2HG MET 46 2HG MET 46 4.437 -0.941 8.694 362 1HE MET 46 1HE MET 46 2.247 -0.179 10.893 363 2HE MET 46 2HE MET 46 2.567 -1.818 10.325 364 3HE MET 46 3HE MET 46 0.914 -1.204 10.362 365 H ARG 47 H ARG 47 7.627 0.399 7.931 366 HA ARG 47 HA ARG 47 7.281 2.436 5.848 367 1HB ARG 47 1HB ARG 47 9.577 1.960 6.710 368 2HB ARG 47 2HB ARG 47 9.400 0.294 6.213 369 1HG ARG 47 1HG ARG 47 10.778 1.497 4.633 370 2HG ARG 47 2HG ARG 47 9.264 1.015 3.870 371 1HD ARG 47 1HD ARG 47 9.906 3.310 3.269 372 2HD ARG 47 2HD ARG 47 8.381 3.266 4.139 373 HE ARG 47 HE ARG 47 10.240 3.685 6.077 374 1HH1 ARG 47 1HH1 ARG 47 9.534 5.385 3.014 375 2HH1 ARG 47 2HH1 ARG 47 9.932 6.906 3.643 376 1HH2 ARG 47 1HH2 ARG 47 10.772 5.809 6.893 377 2HH2 ARG 47 2HH2 ARG 47 10.655 7.165 5.880 378 H ILE 48 H ILE 48 6.295 1.839 3.904 379 HA ILE 48 HA ILE 48 5.705 -1.024 3.660 380 HB ILE 48 HB ILE 48 3.765 1.207 3.034 381 1HG1 ILE 48 1HG1 ILE 48 3.782 -0.773 5.315 382 2HG1 ILE 48 2HG1 ILE 48 4.062 0.961 5.433 383 1HG2 ILE 48 1HG2 ILE 48 2.154 -0.599 2.694 384 2HG2 ILE 48 2HG2 ILE 48 3.385 -1.775 3.124 385 3HG2 ILE 48 3HG2 ILE 48 3.548 -0.866 1.634 386 1HD1 ILE 48 1HD1 ILE 48 1.790 1.379 4.677 387 2HD1 ILE 48 2HD1 ILE 48 1.822 0.378 6.131 388 3HD1 ILE 48 3HD1 ILE 48 1.508 -0.358 4.558 389 H GLN 49 H GLN 49 5.910 -1.898 1.735 390 HA GLN 49 HA GLN 49 6.836 -0.203 -0.444 391 1HB GLN 49 1HB GLN 49 7.476 -3.060 0.225 392 2HB GLN 49 2HB GLN 49 7.967 -2.288 -1.274 393 1HG GLN 49 1HG GLN 49 9.284 -0.694 -0.081 394 2HG GLN 49 2HG GLN 49 8.674 -1.298 1.455 395 1HE2 GLN 49 1HE2 GLN 49 11.419 -1.106 0.429 396 2HE2 GLN 49 2HE2 GLN 49 12.064 -2.711 0.506 397 H LEU 50 H LEU 50 5.854 -0.447 -2.451 398 HA LEU 50 HA LEU 50 3.556 -2.295 -2.623 399 1HB LEU 50 1HB LEU 50 3.006 0.154 -2.802 400 2HB LEU 50 2HB LEU 50 4.040 0.247 -4.192 401 HG LEU 50 HG LEU 50 1.517 -1.472 -4.198 402 1HD1 LEU 50 1HD1 LEU 50 1.898 1.392 -5.089 403 2HD1 LEU 50 2HD1 LEU 50 0.982 0.882 -3.677 404 3HD1 LEU 50 3HD1 LEU 50 0.436 0.426 -5.296 405 1HD2 LEU 50 1HD2 LEU 50 1.681 -1.187 -6.616 406 2HD2 LEU 50 2HD2 LEU 50 3.196 -1.869 -5.997 407 3HD2 LEU 50 3HD2 LEU 50 3.081 -0.150 -6.388 408 H PHE 51 H PHE 51 3.961 -4.018 -3.695 409 HA PHE 51 HA PHE 51 5.645 -3.856 -6.080 410 1HB PHE 51 1HB PHE 51 4.858 -6.258 -4.402 411 2HB PHE 51 2HB PHE 51 5.787 -6.353 -5.894 412 HD1 PHE 51 HD1 PHE 51 5.841 -5.457 -2.354 413 HD2 PHE 51 HD2 PHE 51 8.086 -5.600 -5.965 414 HE1 PHE 51 HE1 PHE 51 7.912 -5.140 -1.075 415 HE2 PHE 51 HE2 PHE 51 10.163 -5.285 -4.694 416 HZ PHE 51 HZ PHE 51 10.082 -5.054 -2.247 417 H ASP 52 H ASP 52 4.688 -4.003 -7.943 418 HA ASP 52 HA ASP 52 1.909 -3.857 -8.333 419 1HB ASP 52 1HB ASP 52 3.697 -3.197 -9.980 420 2HB ASP 52 2HB ASP 52 3.949 -4.887 -10.292 421 H GLY 53 H GLY 53 4.018 -6.388 -9.103 422 1HA GLY 53 1HA GLY 53 1.959 -8.377 -8.368 423 2HA GLY 53 2HA GLY 53 2.934 -8.589 -9.826 424 H ASP 54 H ASP 54 5.365 -8.429 -9.404 425 HA ASP 54 HA ASP 54 6.246 -9.296 -6.809 426 1HB ASP 54 1HB ASP 54 5.459 -11.432 -7.719 427 2HB ASP 54 2HB ASP 54 6.380 -11.179 -9.192 428 H ASP 55 H ASP 55 8.523 -9.242 -6.632 429 HA ASP 55 HA ASP 55 10.664 -8.753 -7.027 430 1HB ASP 55 1HB ASP 55 10.601 -10.162 -8.990 431 2HB ASP 55 2HB ASP 55 9.923 -8.843 -9.938 432 H GLN 56 H GLN 56 8.913 -6.802 -9.422 433 HA GLN 56 HA GLN 56 10.681 -4.705 -8.660 434 1HB GLN 56 1HB GLN 56 9.592 -3.424 -10.582 435 2HB GLN 56 2HB GLN 56 10.704 -4.734 -10.937 436 1HG GLN 56 1HG GLN 56 8.873 -4.835 -12.465 437 2HG GLN 56 2HG GLN 56 8.723 -6.187 -11.357 438 1HE2 GLN 56 1HE2 GLN 56 6.613 -6.423 -11.797 439 2HE2 GLN 56 2HE2 GLN 56 5.364 -5.375 -11.293 440 H LEU 57 H LEU 57 10.383 -2.971 -7.742 441 HA LEU 57 HA LEU 57 7.962 -2.513 -6.211 442 1HB LEU 57 1HB LEU 57 10.292 -2.267 -5.310 443 2HB LEU 57 2HB LEU 57 10.529 -0.939 -6.423 444 HG LEU 57 HG LEU 57 8.669 0.268 -5.255 445 1HD1 LEU 57 1HD1 LEU 57 8.942 -1.999 -3.299 446 2HD1 LEU 57 2HD1 LEU 57 7.528 -1.631 -4.292 447 3HD1 LEU 57 3HD1 LEU 57 8.037 -0.512 -3.029 448 1HD2 LEU 57 1HD2 LEU 57 10.017 0.873 -3.312 449 2HD2 LEU 57 2HD2 LEU 57 11.005 0.747 -4.769 450 3HD2 LEU 57 3HD2 LEU 57 11.026 -0.549 -3.572 451 H LYS 58 H LYS 58 6.436 -1.117 -6.807 452 HA LYS 58 HA LYS 58 6.937 0.525 -9.176 453 1HB LYS 58 1HB LYS 58 4.437 -0.129 -7.673 454 2HB LYS 58 2HB LYS 58 4.460 1.094 -8.935 455 1HG LYS 58 1HG LYS 58 5.125 -1.832 -9.251 456 2HG LYS 58 2HG LYS 58 3.606 -1.064 -9.728 457 1HD LYS 58 1HD LYS 58 4.874 0.377 -11.291 458 2HD LYS 58 2HD LYS 58 6.351 -0.485 -10.854 459 1HE LYS 58 1HE LYS 58 5.348 -2.570 -11.685 460 2HE LYS 58 2HE LYS 58 3.898 -1.677 -12.144 461 1HZ LYS 58 1HZ LYS 58 6.629 -1.270 -13.246 462 2HZ LYS 58 2HZ LYS 58 5.315 -0.322 -13.604 463 3HZ LYS 58 3HZ LYS 58 5.312 -1.937 -14.072 464 H GLY 59 H GLY 59 6.011 0.846 -5.824 465 1HA GLY 59 1HA GLY 59 7.263 3.395 -5.638 466 2HA GLY 59 2HA GLY 59 5.504 3.521 -5.627 467 H GLU 60 H GLU 60 6.320 4.438 -3.339 468 HA GLU 60 HA GLU 60 6.201 2.194 -1.526 469 1HB GLU 60 1HB GLU 60 8.459 3.279 -1.643 470 2HB GLU 60 2HB GLU 60 7.704 4.817 -1.266 471 1HG GLU 60 1HG GLU 60 7.061 4.003 0.903 472 2HG GLU 60 2HG GLU 60 7.702 2.407 0.541 473 H LEU 61 H LEU 61 4.828 2.513 0.099 474 HA LEU 61 HA LEU 61 2.711 4.399 -0.445 475 1HB LEU 61 1HB LEU 61 3.005 2.330 1.736 476 2HB LEU 61 2HB LEU 61 1.579 3.283 1.441 477 HG LEU 61 HG LEU 61 1.210 1.098 0.658 478 1HD1 LEU 61 1HD1 LEU 61 0.200 2.838 -0.656 479 2HD1 LEU 61 2HD1 LEU 61 0.628 1.469 -1.674 480 3HD1 LEU 61 3HD1 LEU 61 1.627 2.926 -1.691 481 1HD2 LEU 61 1HD2 LEU 61 3.555 1.374 -1.187 482 2HD2 LEU 61 2HD2 LEU 61 2.518 -0.066 -0.963 483 3HD2 LEU 61 3HD2 LEU 61 3.574 0.494 0.324 484 H THR 62 H THR 62 1.952 4.567 2.416 485 HA THR 62 HA THR 62 2.336 5.634 4.241 486 HB THR 62 HB THR 62 4.965 5.607 3.216 487 HG1 THR 62 HG1 THR 62 5.505 5.529 5.499 488 1HG2 THR 62 1HG2 THR 62 4.404 8.171 4.747 489 2HG2 THR 62 2HG2 THR 62 5.008 7.947 3.079 490 3HG2 THR 62 3HG2 THR 62 6.019 7.478 4.426 491 H ASP 63 H ASP 63 1.732 6.821 1.359 492 HA ASP 63 HA ASP 63 0.827 9.395 2.448 493 1HB ASP 63 1HB ASP 63 0.427 8.258 -0.309 494 2HB ASP 63 2HB ASP 63 -0.063 9.817 0.251 495 H GLY 64 H GLY 64 -0.952 9.096 3.564 496 1HA GLY 64 1HA GLY 64 -2.887 7.168 2.461 497 2HA GLY 64 2HA GLY 64 -2.761 7.345 4.189 498 H ALA 65 H ALA 65 -2.535 10.275 2.529 499 HA ALA 65 HA ALA 65 -5.255 10.875 3.249 500 1HB ALA 65 1HB ALA 65 -4.782 13.106 2.419 501 2HB ALA 65 2HB ALA 65 -3.227 12.553 1.777 502 3HB ALA 65 3HB ALA 65 -3.521 12.561 3.527 503 H LYS 66 H LYS 66 -3.548 9.635 0.635 504 HA LYS 66 HA LYS 66 -5.685 10.192 -1.254 505 1HB LYS 66 1HB LYS 66 -3.110 8.627 -1.667 506 2HB LYS 66 2HB LYS 66 -4.269 9.043 -2.906 507 1HG LYS 66 1HG LYS 66 -2.455 10.492 -3.229 508 2HG LYS 66 2HG LYS 66 -3.677 11.478 -2.429 509 1HD LYS 66 1HD LYS 66 -2.499 11.180 -0.288 510 2HD LYS 66 2HD LYS 66 -1.331 10.140 -1.116 511 1HE LYS 66 1HE LYS 66 -0.654 12.020 -2.540 512 2HE LYS 66 2HE LYS 66 -1.812 13.056 -1.715 513 1HZ LYS 66 1HZ LYS 66 0.606 11.794 -0.447 514 2HZ LYS 66 2HZ LYS 66 -0.545 12.729 0.350 515 3HZ LYS 66 3HZ LYS 66 0.387 13.413 -0.852 516 H SER 67 H SER 67 -6.503 8.153 -2.464 517 HA SER 67 HA SER 67 -7.098 6.197 -0.468 518 1HB SER 67 1HB SER 67 -8.655 5.445 -2.250 519 2HB SER 67 2HB SER 67 -8.965 7.060 -1.632 520 HG SER 67 HG SER 67 -8.997 7.368 -3.751 521 H LEU 68 H LEU 68 -7.320 4.017 -1.459 522 HA LEU 68 HA LEU 68 -4.771 3.012 -2.210 523 1HB LEU 68 1HB LEU 68 -7.470 1.705 -2.554 524 2HB LEU 68 2HB LEU 68 -5.932 0.881 -2.642 525 HG LEU 68 HG LEU 68 -7.146 2.152 -0.182 526 1HD1 LEU 68 1HD1 LEU 68 -7.282 -0.143 0.635 527 2HD1 LEU 68 2HD1 LEU 68 -6.666 -0.729 -0.910 528 3HD1 LEU 68 3HD1 LEU 68 -8.229 0.084 -0.834 529 1HD2 LEU 68 1HD2 LEU 68 -4.718 2.367 -0.142 530 2HD2 LEU 68 2HD2 LEU 68 -4.547 0.653 -0.510 531 3HD2 LEU 68 3HD2 LEU 68 -5.256 1.161 1.028 532 H LYS 69 H LYS 69 -7.601 3.940 -3.944 533 HA LYS 69 HA LYS 69 -6.895 2.854 -6.475 534 1HB LYS 69 1HB LYS 69 -9.202 3.387 -5.788 535 2HB LYS 69 2HB LYS 69 -8.797 5.091 -5.807 536 1HG LYS 69 1HG LYS 69 -8.400 5.001 -8.199 537 2HG LYS 69 2HG LYS 69 -8.748 3.269 -8.209 538 1HD LYS 69 1HD LYS 69 -11.016 3.740 -7.389 539 2HD LYS 69 2HD LYS 69 -10.660 5.467 -7.433 540 1HE LYS 69 1HE LYS 69 -10.301 5.337 -9.840 541 2HE LYS 69 2HE LYS 69 -10.629 3.606 -9.808 542 1HZ LYS 69 1HZ LYS 69 -12.554 5.757 -9.105 543 2HZ LYS 69 2HZ LYS 69 -12.851 4.119 -8.963 544 3HZ LYS 69 3HZ LYS 69 -12.602 4.785 -10.491 545 H ASP 70 H ASP 70 -6.571 6.038 -4.983 546 HA ASP 70 HA ASP 70 -5.579 7.371 -7.296 547 1HB ASP 70 1HB ASP 70 -6.542 8.442 -5.221 548 2HB ASP 70 2HB ASP 70 -5.024 8.080 -4.436 549 H LEU 71 H LEU 71 -4.118 5.689 -4.634 550 HA LEU 71 HA LEU 71 -1.413 6.341 -5.324 551 1HB LEU 71 1HB LEU 71 -2.490 4.152 -3.577 552 2HB LEU 71 2HB LEU 71 -0.789 4.524 -3.757 553 HG LEU 71 HG LEU 71 -2.896 6.319 -2.518 554 1HD1 LEU 71 1HD1 LEU 71 -1.667 5.939 -0.489 555 2HD1 LEU 71 2HD1 LEU 71 -0.584 4.838 -1.339 556 3HD1 LEU 71 3HD1 LEU 71 -2.289 4.430 -1.159 557 1HD2 LEU 71 1HD2 LEU 71 -1.197 7.647 -3.705 558 2HD2 LEU 71 2HD2 LEU 71 0.076 6.750 -2.880 559 3HD2 LEU 71 3HD2 LEU 71 -1.014 7.785 -1.957 560 H GLY 72 H GLY 72 -3.607 4.157 -6.614 561 1HA GLY 72 1HA GLY 72 -3.228 2.963 -8.604 562 2HA GLY 72 2HA GLY 72 -1.497 3.103 -8.327 563 H VAL 73 H VAL 73 -3.445 2.066 -5.699 564 HA VAL 73 HA VAL 73 -2.213 -0.557 -5.810 565 HB VAL 73 HB VAL 73 -4.086 0.595 -3.723 566 1HG1 VAL 73 1HG1 VAL 73 -2.240 -1.781 -3.626 567 2HG1 VAL 73 2HG1 VAL 73 -4.002 -1.813 -3.671 568 3HG1 VAL 73 3HG1 VAL 73 -3.165 -1.156 -2.263 569 1HG2 VAL 73 1HG2 VAL 73 -1.073 0.520 -3.691 570 2HG2 VAL 73 2HG2 VAL 73 -2.099 1.041 -2.352 571 3HG2 VAL 73 3HG2 VAL 73 -2.068 1.966 -3.857 572 H ARG 74 H ARG 74 -3.261 -1.869 -7.148 573 HA ARG 74 HA ARG 74 -6.185 -1.849 -7.059 574 1HB ARG 74 1HB ARG 74 -4.330 -2.854 -9.220 575 2HB ARG 74 2HB ARG 74 -6.073 -3.073 -9.228 576 1HG ARG 74 1HG ARG 74 -6.377 -0.645 -9.256 577 2HG ARG 74 2HG ARG 74 -4.624 -0.437 -9.264 578 1HD ARG 74 1HD ARG 74 -6.208 -1.902 -11.362 579 2HD ARG 74 2HD ARG 74 -5.644 -0.241 -11.512 580 HE ARG 74 HE ARG 74 -3.367 -1.565 -11.020 581 1HH1 ARG 74 1HH1 ARG 74 -5.946 -2.135 -13.377 582 2HH1 ARG 74 2HH1 ARG 74 -4.928 -2.882 -14.516 583 1HH2 ARG 74 1HH2 ARG 74 -1.985 -2.553 -12.562 584 2HH2 ARG 74 2HH2 ARG 74 -2.588 -3.106 -14.061 585 H ASP 75 H ASP 75 -6.814 -4.308 -7.971 586 HA ASP 75 HA ASP 75 -6.250 -5.844 -5.641 587 1HB ASP 75 1HB ASP 75 -7.680 -7.556 -6.569 588 2HB ASP 75 2HB ASP 75 -8.445 -5.978 -6.653 589 H GLY 76 H GLY 76 -5.284 -7.599 -5.483 590 1HA GLY 76 1HA GLY 76 -3.807 -9.417 -6.031 591 2HA GLY 76 2HA GLY 76 -3.769 -8.826 -7.686 592 H TYR 77 H TYR 77 -3.157 -6.266 -5.737 593 HA TYR 77 HA TYR 77 -0.316 -6.310 -6.293 594 1HB TYR 77 1HB TYR 77 -2.196 -4.251 -5.191 595 2HB TYR 77 2HB TYR 77 -0.454 -4.037 -5.091 596 HD1 TYR 77 HD1 TYR 77 0.371 -2.651 -6.671 597 HD2 TYR 77 HD2 TYR 77 -2.862 -5.164 -7.754 598 HE1 TYR 77 HE1 TYR 77 0.461 -1.764 -8.960 599 HE2 TYR 77 HE2 TYR 77 -2.790 -4.284 -10.048 600 HH TYR 77 HH TYR 77 -0.165 -2.546 -11.147 601 H ARG 78 H ARG 78 1.315 -6.041 -4.806 602 HA ARG 78 HA ARG 78 0.643 -7.267 -2.248 603 1HB ARG 78 1HB ARG 78 3.217 -7.206 -3.780 604 2HB ARG 78 2HB ARG 78 3.110 -7.729 -2.105 605 1HG ARG 78 1HG ARG 78 1.581 -9.511 -2.797 606 2HG ARG 78 2HG ARG 78 1.760 -8.985 -4.479 607 1HD ARG 78 1HD ARG 78 4.113 -9.424 -4.409 608 2HD ARG 78 2HD ARG 78 4.030 -9.828 -2.695 609 HE ARG 78 HE ARG 78 2.343 -11.572 -3.703 610 1HH1 ARG 78 1HH1 ARG 78 5.527 -10.628 -4.752 611 2HH1 ARG 78 2HH1 ARG 78 6.007 -12.114 -5.398 612 1HH2 ARG 78 1HH2 ARG 78 2.908 -13.722 -4.549 613 2HH2 ARG 78 2HH2 ARG 78 4.435 -13.968 -5.247 614 H ILE 79 H ILE 79 0.716 -6.155 -0.588 615 HA ILE 79 HA ILE 79 2.225 -3.646 -0.574 616 HB ILE 79 HB ILE 79 -0.230 -4.454 1.023 617 1HG1 ILE 79 1HG1 ILE 79 -0.821 -3.929 -1.287 618 2HG1 ILE 79 2HG1 ILE 79 -1.364 -2.648 -0.204 619 1HG2 ILE 79 1HG2 ILE 79 1.212 -3.036 2.349 620 2HG2 ILE 79 2HG2 ILE 79 -0.231 -2.138 1.861 621 3HG2 ILE 79 3HG2 ILE 79 1.309 -1.878 1.027 622 1HD1 ILE 79 1HD1 ILE 79 0.524 -1.264 -0.874 623 2HD1 ILE 79 2HD1 ILE 79 -0.462 -1.728 -2.255 624 3HD1 ILE 79 3HD1 ILE 79 1.079 -2.536 -1.966 625 H HIS 80 H HIS 80 3.995 -3.855 0.506 626 HA HIS 80 HA HIS 80 4.231 -5.953 2.577 627 1HB HIS 80 1HB HIS 80 5.746 -6.285 0.736 628 2HB HIS 80 2HB HIS 80 6.284 -4.613 0.812 629 HD1 HIS 80 HD1 HIS 80 6.453 -7.819 2.712 630 HD2 HIS 80 HD2 HIS 80 8.264 -4.112 2.527 631 HE1 HIS 80 HE1 HIS 80 8.296 -7.951 4.409 632 HE2 HIS 80 HE2 HIS 80 9.647 -5.878 3.905 633 H ALA 81 H ALA 81 4.146 -5.241 4.553 634 HA ALA 81 HA ALA 81 5.168 -2.544 5.155 635 1HB ALA 81 1HB ALA 81 2.807 -2.913 5.743 636 2HB ALA 81 2HB ALA 81 3.801 -2.642 7.176 637 3HB ALA 81 3HB ALA 81 3.283 -4.275 6.756 638 H VAL 82 H VAL 82 6.788 -2.262 6.548 639 HA VAL 82 HA VAL 82 7.750 -4.627 7.905 640 HB VAL 82 HB VAL 82 9.171 -4.192 5.957 641 1HG1 VAL 82 1HG1 VAL 82 10.586 -2.205 5.804 642 2HG1 VAL 82 2HG1 VAL 82 9.740 -1.521 7.192 643 3HG1 VAL 82 3HG1 VAL 82 8.866 -1.815 5.687 644 1HG2 VAL 82 1HG2 VAL 82 10.213 -5.170 7.909 645 2HG2 VAL 82 2HG2 VAL 82 10.538 -3.562 8.562 646 3HG2 VAL 82 3HG2 VAL 82 11.342 -4.093 7.082 647 H ASP 83 H ASP 83 8.299 -4.381 9.902 648 HA ASP 83 HA ASP 83 7.543 -1.926 11.241 649 1HB ASP 83 1HB ASP 83 6.715 -4.012 12.112 650 2HB ASP 83 2HB ASP 83 8.372 -4.607 12.304 651 H VAL 84 H VAL 84 8.987 -0.473 11.533 652 HA VAL 84 HA VAL 84 11.737 -1.343 12.087 653 HB VAL 84 HB VAL 84 11.362 0.206 10.136 654 1HG1 VAL 84 1HG1 VAL 84 9.691 1.672 10.976 655 2HG1 VAL 84 2HG1 VAL 84 11.119 2.611 10.529 656 3HG1 VAL 84 3HG1 VAL 84 10.782 2.270 12.226 657 1HG2 VAL 84 1HG2 VAL 84 13.311 1.653 10.582 658 2HG2 VAL 84 2HG2 VAL 84 13.576 -0.032 11.048 659 3HG2 VAL 84 3HG2 VAL 84 13.231 1.187 12.281 660 H THR 85 H THR 85 9.159 -0.918 13.708 661 HA THR 85 HA THR 85 9.663 1.086 15.668 662 HB THR 85 HB THR 85 8.120 -1.469 16.148 663 HG1 THR 85 HG1 THR 85 6.942 -0.985 14.597 664 1HG2 THR 85 1HG2 THR 85 6.683 0.013 17.486 665 2HG2 THR 85 2HG2 THR 85 7.680 1.391 17.022 666 3HG2 THR 85 3HG2 THR 85 8.363 0.110 18.018 667 H GLY 86 H GLY 86 10.430 -2.289 15.257 668 1HA GLY 86 1HA GLY 86 12.070 -2.225 17.701 669 2HA GLY 86 2HA GLY 86 11.495 -3.692 16.908 670 H GLY 87 H GLY 87 12.563 -1.213 14.863 671 1HA GLY 87 1HA GLY 87 14.294 -1.087 13.349 672 2HA GLY 87 2HA GLY 87 15.307 -1.691 14.654 673 H ASN 88 H ASN 88 12.654 -3.177 12.795 674 HA ASN 88 HA ASN 88 14.262 -5.582 12.556 675 1HB ASN 88 1HB ASN 88 11.340 -5.045 12.017 676 2HB ASN 88 2HB ASN 88 12.120 -6.594 11.735 677 1HD2 ASN 88 1HD2 ASN 88 9.945 -5.731 13.572 678 2HD2 ASN 88 2HD2 ASN 88 10.430 -6.284 15.123 679 H GLU 89 H GLU 89 14.866 -6.493 10.637 680 HA GLU 89 HA GLU 89 15.397 -6.732 8.460 681 1HB GLU 89 1HB GLU 89 12.959 -5.033 7.975 682 2HB GLU 89 2HB GLU 89 13.832 -5.919 6.734 683 1HG GLU 89 1HG GLU 89 12.371 -7.111 9.077 684 2HG GLU 89 2HG GLU 89 11.815 -7.076 7.405 685 H ASP 90 H ASP 90 16.235 -4.308 10.041 686 HA ASP 90 HA ASP 90 17.256 -2.849 7.735 687 1HB ASP 90 1HB ASP 90 15.538 -1.457 8.813 688 2HB ASP 90 2HB ASP 90 16.366 -1.617 10.358 Start of MODEL 6 1 H MET 1 H MET 1 -18.294 4.257 -6.855 2 HA MET 1 HA MET 1 -16.064 5.819 -5.706 3 1HB MET 1 1HB MET 1 -18.243 6.926 -5.397 4 2HB MET 1 2HB MET 1 -18.898 5.451 -4.701 5 1HG MET 1 1HG MET 1 -18.351 7.043 -2.955 6 2HG MET 1 2HG MET 1 -17.309 5.626 -2.847 7 1HE MET 1 1HE MET 1 -16.692 8.352 -1.334 8 2HE MET 1 2HE MET 1 -14.960 8.508 -1.624 9 3HE MET 1 3HE MET 1 -15.653 6.930 -1.244 10 H THR 2 H THR 2 -18.479 3.272 -4.878 11 HA THR 2 HA THR 2 -16.734 2.132 -2.980 12 HB THR 2 HB THR 2 -19.212 0.998 -4.303 13 HG1 THR 2 HG1 THR 2 -18.742 2.743 -2.143 14 1HG2 THR 2 1HG2 THR 2 -17.841 -0.693 -3.127 15 2HG2 THR 2 2HG2 THR 2 -19.359 -0.402 -2.280 16 3HG2 THR 2 3HG2 THR 2 -17.863 0.307 -1.673 17 H GLU 3 H GLU 3 -14.985 1.074 -3.512 18 HA GLU 3 HA GLU 3 -14.995 -0.853 -5.658 19 1HB GLU 3 1HB GLU 3 -14.358 1.395 -6.597 20 2HB GLU 3 2HB GLU 3 -13.023 1.435 -5.472 21 1HG GLU 3 1HG GLU 3 -12.013 -0.473 -6.567 22 2HG GLU 3 2HG GLU 3 -13.401 -0.605 -7.652 23 H VAL 4 H VAL 4 -13.595 -2.478 -5.132 24 HA VAL 4 HA VAL 4 -11.917 -2.163 -2.778 25 HB VAL 4 HB VAL 4 -12.646 -4.345 -1.849 26 1HG1 VAL 4 1HG1 VAL 4 -14.823 -3.654 -0.939 27 2HG1 VAL 4 2HG1 VAL 4 -14.900 -2.365 -2.139 28 3HG1 VAL 4 3HG1 VAL 4 -13.637 -2.351 -0.909 29 1HG2 VAL 4 1HG2 VAL 4 -13.500 -5.390 -3.885 30 2HG2 VAL 4 2HG2 VAL 4 -14.825 -4.229 -3.937 31 3HG2 VAL 4 3HG2 VAL 4 -14.734 -5.400 -2.623 32 H TYR 5 H TYR 5 -10.120 -3.323 -2.769 33 HA TYR 5 HA TYR 5 -9.645 -5.042 -5.081 34 1HB TYR 5 1HB TYR 5 -7.472 -4.085 -5.407 35 2HB TYR 5 2HB TYR 5 -8.645 -2.814 -5.462 36 HD1 TYR 5 HD1 TYR 5 -5.624 -3.931 -4.149 37 HD2 TYR 5 HD2 TYR 5 -8.874 -1.347 -3.297 38 HE1 TYR 5 HE1 TYR 5 -4.203 -2.663 -2.644 39 HE2 TYR 5 HE2 TYR 5 -7.442 -0.060 -1.761 40 HH TYR 5 HH TYR 5 -5.342 -0.507 -0.421 41 H ASP 6 H ASP 6 -8.453 -6.806 -4.817 42 HA ASP 6 HA ASP 6 -8.045 -7.676 -2.057 43 1HB ASP 6 1HB ASP 6 -9.055 -9.203 -3.700 44 2HB ASP 6 2HB ASP 6 -7.593 -9.130 -4.668 45 H LEU 7 H LEU 7 -6.150 -7.802 -1.155 46 HA LEU 7 HA LEU 7 -3.753 -7.099 -2.692 47 1HB LEU 7 1HB LEU 7 -4.243 -6.623 0.230 48 2HB LEU 7 2HB LEU 7 -2.927 -6.069 -0.753 49 HG LEU 7 HG LEU 7 -4.675 -4.521 -1.898 50 1HD1 LEU 7 1HD1 LEU 7 -6.620 -4.018 -0.567 51 2HD1 LEU 7 2HD1 LEU 7 -6.266 -5.423 0.466 52 3HD1 LEU 7 3HD1 LEU 7 -6.637 -5.643 -1.233 53 1HD2 LEU 7 1HD2 LEU 7 -2.993 -3.751 -0.299 54 2HD2 LEU 7 2HD2 LEU 7 -4.073 -4.173 1.031 55 3HD2 LEU 7 3HD2 LEU 7 -4.526 -2.902 -0.107 56 H GLU 8 H GLU 8 -1.948 -8.295 -2.038 57 HA GLU 8 HA GLU 8 -2.381 -10.259 0.082 58 1HB GLU 8 1HB GLU 8 -1.692 -11.309 -2.030 59 2HB GLU 8 2HB GLU 8 -0.288 -10.244 -2.110 60 1HG GLU 8 1HG GLU 8 0.609 -11.265 -0.096 61 2HG GLU 8 2HG GLU 8 -0.798 -12.315 0.006 62 H ILE 9 H ILE 9 -1.473 -9.750 1.899 63 HA ILE 9 HA ILE 9 0.324 -7.449 1.930 64 HB ILE 9 HB ILE 9 -0.993 -8.862 4.237 65 1HG1 ILE 9 1HG1 ILE 9 -2.730 -7.869 2.823 66 2HG1 ILE 9 2HG1 ILE 9 -2.577 -6.963 4.322 67 1HG2 ILE 9 1HG2 ILE 9 -0.457 -6.829 5.531 68 2HG2 ILE 9 2HG2 ILE 9 0.402 -6.191 4.128 69 3HG2 ILE 9 3HG2 ILE 9 0.985 -7.650 4.928 70 1HD1 ILE 9 1HD1 ILE 9 -1.289 -5.248 3.138 71 2HD1 ILE 9 2HD1 ILE 9 -2.890 -5.483 2.441 72 3HD1 ILE 9 3HD1 ILE 9 -1.473 -6.165 1.639 73 H THR 10 H THR 10 2.346 -7.661 2.334 74 HA THR 10 HA THR 10 3.271 -10.081 3.660 75 HB THR 10 HB THR 10 5.461 -9.815 2.478 76 HG1 THR 10 HG1 THR 10 5.276 -8.607 0.430 77 1HG2 THR 10 1HG2 THR 10 3.882 -11.453 1.739 78 2HG2 THR 10 2HG2 THR 10 4.752 -10.762 0.358 79 3HG2 THR 10 3HG2 THR 10 3.079 -10.268 0.700 80 H THR 11 H THR 11 4.969 -9.792 5.049 81 HA THR 11 HA THR 11 5.692 -7.044 5.711 82 HB THR 11 HB THR 11 5.221 -9.114 7.782 83 HG1 THR 11 HG1 THR 11 3.156 -8.870 6.938 84 1HG2 THR 11 1HG2 THR 11 4.855 -7.151 9.275 85 2HG2 THR 11 2HG2 THR 11 5.173 -6.098 7.895 86 3HG2 THR 11 3HG2 THR 11 6.437 -7.164 8.498 87 H ASN 12 H ASN 12 7.523 -7.197 7.054 88 HA ASN 12 HA ASN 12 9.426 -9.180 6.047 89 1HB ASN 12 1HB ASN 12 10.129 -6.790 6.172 90 2HB ASN 12 2HB ASN 12 9.975 -6.846 7.922 91 1HD2 ASN 12 1HD2 ASN 12 12.181 -6.269 8.162 92 2HD2 ASN 12 2HD2 ASN 12 13.425 -7.422 7.842 93 H ALA 13 H ALA 13 7.657 -8.471 8.881 94 HA ALA 13 HA ALA 13 9.090 -10.259 10.586 95 1HB ALA 13 1HB ALA 13 7.407 -9.680 12.256 96 2HB ALA 13 2HB ALA 13 6.475 -8.835 11.024 97 3HB ALA 13 3HB ALA 13 8.057 -8.233 11.489 98 H THR 14 H THR 14 6.674 -10.634 8.212 99 HA THR 14 HA THR 14 5.668 -13.035 9.538 100 HB THR 14 HB THR 14 3.665 -12.820 8.076 101 HG1 THR 14 HG1 THR 14 4.284 -11.591 6.409 102 1HG2 THR 14 1HG2 THR 14 3.584 -11.937 10.370 103 2HG2 THR 14 2HG2 THR 14 2.629 -10.933 9.279 104 3HG2 THR 14 3HG2 THR 14 4.227 -10.398 9.798 105 H ASP 15 H ASP 15 5.784 -14.898 8.488 106 HA ASP 15 HA ASP 15 7.280 -15.002 6.008 107 1HB ASP 15 1HB ASP 15 7.821 -16.579 7.817 108 2HB ASP 15 2HB ASP 15 6.182 -17.218 7.745 109 H PHE 16 H PHE 16 4.134 -15.753 7.288 110 HA PHE 16 HA PHE 16 3.141 -16.738 4.753 111 1HB PHE 16 1HB PHE 16 1.718 -16.230 7.364 112 2HB PHE 16 2HB PHE 16 0.963 -16.915 5.938 113 HD1 PHE 16 HD1 PHE 16 1.689 -19.150 5.142 114 HD2 PHE 16 HD2 PHE 16 2.979 -17.533 8.841 115 HE1 PHE 16 HE1 PHE 16 2.308 -21.393 5.894 116 HE2 PHE 16 HE2 PHE 16 3.617 -19.764 9.612 117 HZ PHE 16 HZ PHE 16 3.287 -21.715 8.141 118 HA PRO 17 HA PRO 17 1.836 -12.570 3.524 119 1HB PRO 17 1HB PRO 17 0.762 -14.070 1.224 120 2HB PRO 17 2HB PRO 17 1.928 -12.746 1.232 121 1HG PRO 17 1HG PRO 17 2.654 -15.259 0.643 122 2HG PRO 17 2HG PRO 17 3.729 -14.158 1.526 123 1HD PRO 17 1HD PRO 17 2.031 -16.390 2.571 124 2HD PRO 17 2HD PRO 17 3.682 -15.901 3.016 125 H MET 18 H MET 18 -0.231 -11.670 3.518 126 HA MET 18 HA MET 18 -2.389 -13.585 4.152 127 1HB MET 18 1HB MET 18 -1.398 -12.341 6.115 128 2HB MET 18 2HB MET 18 -2.001 -10.866 5.392 129 1HG MET 18 1HG MET 18 -4.292 -11.769 5.551 130 2HG MET 18 2HG MET 18 -3.614 -13.197 6.348 131 1HE MET 18 1HE MET 18 -5.935 -11.492 7.690 132 2HE MET 18 2HE MET 18 -5.343 -11.393 9.351 133 3HE MET 18 3HE MET 18 -5.185 -12.897 8.451 134 H GLU 19 H GLU 19 -4.057 -13.389 2.740 135 HA GLU 19 HA GLU 19 -4.202 -11.154 0.945 136 1HB GLU 19 1HB GLU 19 -6.156 -12.297 -0.020 137 2HB GLU 19 2HB GLU 19 -4.780 -13.379 0.119 138 1HG GLU 19 1HG GLU 19 -5.758 -14.412 2.085 139 2HG GLU 19 2HG GLU 19 -7.100 -13.272 2.036 140 H LYS 20 H LYS 20 -5.649 -9.460 0.914 141 HA LYS 20 HA LYS 20 -7.758 -9.403 2.850 142 1HB LYS 20 1HB LYS 20 -5.437 -7.593 2.727 143 2HB LYS 20 2HB LYS 20 -7.011 -6.976 3.199 144 1HG LYS 20 1HG LYS 20 -7.107 -8.608 5.003 145 2HG LYS 20 2HG LYS 20 -5.537 -9.257 4.517 146 1HD LYS 20 1HD LYS 20 -4.510 -7.185 4.989 147 2HD LYS 20 2HD LYS 20 -6.049 -6.423 5.359 148 1HE LYS 20 1HE LYS 20 -4.830 -8.723 6.902 149 2HE LYS 20 2HE LYS 20 -4.845 -7.038 7.425 150 1HZ LYS 20 1HZ LYS 20 -6.608 -8.213 8.483 151 2HZ LYS 20 2HZ LYS 20 -7.227 -8.782 7.029 152 3HZ LYS 20 3HZ LYS 20 -7.296 -7.137 7.389 153 H LYS 21 H LYS 21 -9.361 -7.800 2.388 154 HA LYS 21 HA LYS 21 -9.406 -6.771 -0.325 155 1HB LYS 21 1HB LYS 21 -11.243 -8.164 1.399 156 2HB LYS 21 2HB LYS 21 -11.902 -6.638 0.881 157 1HG LYS 21 1HG LYS 21 -12.665 -8.349 -0.629 158 2HG LYS 21 2HG LYS 21 -11.459 -7.406 -1.496 159 1HD LYS 21 1HD LYS 21 -9.780 -9.120 -1.009 160 2HD LYS 21 2HD LYS 21 -10.994 -10.046 -0.123 161 1HE LYS 21 1HE LYS 21 -12.331 -10.231 -2.180 162 2HE LYS 21 2HE LYS 21 -11.092 -9.346 -3.057 163 1HZ LYS 21 1HZ LYS 21 -10.781 -12.018 -1.780 164 2HZ LYS 21 2HZ LYS 21 -9.522 -11.120 -2.388 165 3HZ LYS 21 3HZ LYS 21 -10.717 -11.674 -3.438 166 H TYR 22 H TYR 22 -9.010 -4.601 -0.274 167 HA TYR 22 HA TYR 22 -10.261 -3.096 1.889 168 1HB TYR 22 1HB TYR 22 -7.546 -2.564 0.673 169 2HB TYR 22 2HB TYR 22 -8.432 -1.342 1.562 170 HD1 TYR 22 HD1 TYR 22 -9.113 -1.936 3.979 171 HD2 TYR 22 HD2 TYR 22 -6.125 -4.019 1.800 172 HE1 TYR 22 HE1 TYR 22 -8.142 -2.728 6.085 173 HE2 TYR 22 HE2 TYR 22 -5.149 -4.832 3.895 174 HH TYR 22 HH TYR 22 -5.085 -4.115 6.262 175 HA PRO 23 HA PRO 23 -12.201 -0.822 -1.402 176 1HB PRO 23 1HB PRO 23 -12.269 1.482 0.395 177 2HB PRO 23 2HB PRO 23 -13.618 0.568 -0.277 178 1HG PRO 23 1HG PRO 23 -12.984 0.431 2.319 179 2HG PRO 23 2HG PRO 23 -13.591 -0.972 1.417 180 1HD PRO 23 1HD PRO 23 -10.784 -0.295 2.205 181 2HD PRO 23 2HD PRO 23 -11.649 -1.851 2.269 182 H ALA 24 H ALA 24 -11.417 0.396 -3.002 183 HA ALA 24 HA ALA 24 -8.792 1.502 -2.815 184 1HB ALA 24 1HB ALA 24 -9.092 2.211 -5.112 185 2HB ALA 24 2HB ALA 24 -10.834 1.991 -4.980 186 3HB ALA 24 3HB ALA 24 -9.761 0.593 -4.914 187 H GLY 25 H GLY 25 -11.804 2.698 -2.106 188 1HA GLY 25 1HA GLY 25 -11.099 5.522 -2.334 189 2HA GLY 25 2HA GLY 25 -12.639 4.902 -1.761 190 H MET 26 H MET 26 -10.314 3.224 -0.142 191 HA MET 26 HA MET 26 -10.658 4.784 2.260 192 1HB MET 26 1HB MET 26 -10.834 2.368 2.420 193 2HB MET 26 2HB MET 26 -9.267 2.156 1.677 194 1HG MET 26 1HG MET 26 -8.195 3.132 3.633 195 2HG MET 26 2HG MET 26 -9.772 3.403 4.360 196 1HE MET 26 1HE MET 26 -11.256 1.570 5.412 197 2HE MET 26 2HE MET 26 -11.015 -0.163 5.190 198 3HE MET 26 3HE MET 26 -11.432 0.855 3.810 199 H SER 27 H SER 27 -8.865 5.537 3.559 200 HA SER 27 HA SER 27 -6.555 6.619 2.106 201 1HB SER 27 1HB SER 27 -6.068 7.578 4.303 202 2HB SER 27 2HB SER 27 -7.706 7.971 3.814 203 HG SER 27 HG SER 27 -8.463 6.837 5.419 204 H LEU 28 H LEU 28 -4.455 6.139 2.590 205 HA LEU 28 HA LEU 28 -3.816 3.444 3.064 206 1HB LEU 28 1HB LEU 28 -2.416 5.575 2.232 207 2HB LEU 28 2HB LEU 28 -1.923 5.589 3.900 208 HG LEU 28 HG LEU 28 -1.378 3.461 1.843 209 1HD1 LEU 28 1HD1 LEU 28 0.438 5.228 3.433 210 2HD1 LEU 28 2HD1 LEU 28 0.064 5.351 1.714 211 3HD1 LEU 28 3HD1 LEU 28 0.955 3.957 2.329 212 1HD2 LEU 28 1HD2 LEU 28 -0.682 3.365 4.766 213 2HD2 LEU 28 2HD2 LEU 28 -0.163 2.205 3.538 214 3HD2 LEU 28 3HD2 LEU 28 -1.870 2.338 3.962 215 H ASN 29 H ASN 29 -4.333 6.163 5.206 216 HA ASN 29 HA ASN 29 -3.142 5.135 7.571 217 1HB ASN 29 1HB ASN 29 -5.319 7.200 7.279 218 2HB ASN 29 2HB ASN 29 -4.653 6.723 8.832 219 1HD2 ASN 29 1HD2 ASN 29 -4.172 8.579 5.952 220 2HD2 ASN 29 2HD2 ASN 29 -2.674 9.273 6.451 221 H ASP 30 H ASP 30 -6.414 4.721 6.347 222 HA ASP 30 HA ASP 30 -7.315 3.495 8.789 223 1HB ASP 30 1HB ASP 30 -8.717 4.647 6.922 224 2HB ASP 30 2HB ASP 30 -8.599 3.100 6.107 225 H LEU 31 H LEU 31 -5.992 2.478 5.757 226 HA LEU 31 HA LEU 31 -6.396 -0.348 6.010 227 1HB LEU 31 1HB LEU 31 -5.844 0.983 3.887 228 2HB LEU 31 2HB LEU 31 -4.237 1.158 4.494 229 HG LEU 31 HG LEU 31 -5.442 -1.547 3.805 230 1HD1 LEU 31 1HD1 LEU 31 -5.297 -0.168 1.818 231 2HD1 LEU 31 2HD1 LEU 31 -4.074 -1.436 1.785 232 3HD1 LEU 31 3HD1 LEU 31 -3.619 0.218 2.190 233 1HD2 LEU 31 1HD2 LEU 31 -3.134 -2.307 3.798 234 2HD2 LEU 31 2HD2 LEU 31 -3.563 -1.626 5.374 235 3HD2 LEU 31 3HD2 LEU 31 -2.587 -0.690 4.246 236 H LYS 32 H LYS 32 -3.753 1.846 6.656 237 HA LYS 32 HA LYS 32 -1.877 0.195 7.887 238 1HB LYS 32 1HB LYS 32 -2.695 3.026 8.223 239 2HB LYS 32 2HB LYS 32 -1.454 2.345 9.246 240 1HG LYS 32 1HG LYS 32 -1.389 2.214 6.279 241 2HG LYS 32 2HG LYS 32 -0.719 3.590 7.157 242 1HD LYS 32 1HD LYS 32 0.102 0.685 7.524 243 2HD LYS 32 2HD LYS 32 0.993 1.891 6.589 244 1HE LYS 32 1HE LYS 32 1.315 3.233 8.514 245 2HE LYS 32 2HE LYS 32 0.360 2.167 9.521 246 1HZ LYS 32 1HZ LYS 32 2.905 1.400 8.205 247 2HZ LYS 32 2HZ LYS 32 1.956 0.479 9.338 248 3HZ LYS 32 3HZ LYS 32 2.683 1.896 9.799 249 H LYS 33 H LYS 33 -4.520 2.013 9.480 250 HA LYS 33 HA LYS 33 -3.938 1.156 12.076 251 1HB LYS 33 1HB LYS 33 -5.316 2.998 11.123 252 2HB LYS 33 2HB LYS 33 -6.582 1.794 10.895 253 1HG LYS 33 1HG LYS 33 -6.526 1.283 13.233 254 2HG LYS 33 2HG LYS 33 -5.239 2.467 13.470 255 1HD LYS 33 1HD LYS 33 -7.962 2.951 12.450 256 2HD LYS 33 2HD LYS 33 -7.271 3.295 14.075 257 1HE LYS 33 1HE LYS 33 -5.719 4.925 13.066 258 2HE LYS 33 2HE LYS 33 -6.357 4.577 11.469 259 1HZ LYS 33 1HZ LYS 33 -7.864 5.824 13.693 260 2HZ LYS 33 2HZ LYS 33 -8.492 5.437 12.181 261 3HZ LYS 33 3HZ LYS 33 -7.278 6.599 12.305 262 H LYS 34 H LYS 34 -5.575 -0.426 9.433 263 HA LYS 34 HA LYS 34 -6.824 -2.467 11.040 264 1HB LYS 34 1HB LYS 34 -7.023 -1.572 8.406 265 2HB LYS 34 2HB LYS 34 -6.228 -3.105 8.240 266 1HG LYS 34 1HG LYS 34 -8.578 -3.478 8.015 267 2HG LYS 34 2HG LYS 34 -8.068 -4.156 9.564 268 1HD LYS 34 1HD LYS 34 -10.164 -2.913 9.784 269 2HD LYS 34 2HD LYS 34 -8.876 -2.154 10.721 270 1HE LYS 34 1HE LYS 34 -8.529 -0.521 8.892 271 2HE LYS 34 2HE LYS 34 -9.832 -1.282 7.981 272 1HZ LYS 34 1HZ LYS 34 -10.118 0.074 10.613 273 2HZ LYS 34 2HZ LYS 34 -11.387 -0.532 9.682 274 3HZ LYS 34 3HZ LYS 34 -10.414 0.735 9.106 275 H LEU 35 H LEU 35 -3.914 -2.108 9.056 276 HA LEU 35 HA LEU 35 -2.837 -4.689 9.451 277 1HB LEU 35 1HB LEU 35 -1.821 -2.049 8.628 278 2HB LEU 35 2HB LEU 35 -0.676 -3.318 8.734 279 HG LEU 35 HG LEU 35 -2.973 -2.954 6.839 280 1HD1 LEU 35 1HD1 LEU 35 -0.864 -1.883 6.281 281 2HD1 LEU 35 2HD1 LEU 35 -1.210 -3.196 5.158 282 3HD1 LEU 35 3HD1 LEU 35 -0.020 -3.423 6.440 283 1HD2 LEU 35 1HD2 LEU 35 -1.362 -5.485 7.214 284 2HD2 LEU 35 2HD2 LEU 35 -2.453 -5.161 5.874 285 3HD2 LEU 35 3HD2 LEU 35 -3.094 -5.298 7.508 286 H GLU 36 H GLU 36 -2.135 -1.547 10.921 287 HA GLU 36 HA GLU 36 -0.147 -2.253 12.635 288 1HB GLU 36 1HB GLU 36 -2.288 -0.233 12.696 289 2HB GLU 36 2HB GLU 36 -1.061 -0.109 13.876 290 1HG GLU 36 1HG GLU 36 -0.964 0.197 10.921 291 2HG GLU 36 2HG GLU 36 -0.475 1.407 12.122 292 H LEU 37 H LEU 37 -3.571 -2.585 12.930 293 HA LEU 37 HA LEU 37 -3.770 -3.182 15.663 294 1HB LEU 37 1HB LEU 37 -5.711 -2.762 14.141 295 2HB LEU 37 2HB LEU 37 -5.372 -4.270 13.355 296 HG LEU 37 HG LEU 37 -5.914 -5.498 15.417 297 1HD1 LEU 37 1HD1 LEU 37 -5.367 -3.798 17.064 298 2HD1 LEU 37 2HD1 LEU 37 -7.031 -4.346 17.258 299 3HD1 LEU 37 3HD1 LEU 37 -6.701 -2.794 16.489 300 1HD2 LEU 37 1HD2 LEU 37 -7.610 -5.141 13.707 301 2HD2 LEU 37 2HD2 LEU 37 -8.064 -3.613 14.463 302 3HD2 LEU 37 3HD2 LEU 37 -8.322 -5.133 15.318 303 H VAL 38 H VAL 38 -2.956 -5.185 12.899 304 HA VAL 38 HA VAL 38 -2.768 -7.612 14.497 305 HB VAL 38 HB VAL 38 -2.161 -7.154 11.557 306 1HG1 VAL 38 1HG1 VAL 38 -2.338 -9.586 11.326 307 2HG1 VAL 38 2HG1 VAL 38 -2.576 -9.731 13.064 308 3HG1 VAL 38 3HG1 VAL 38 -1.039 -9.137 12.435 309 1HG2 VAL 38 1HG2 VAL 38 -4.649 -8.244 12.858 310 2HG2 VAL 38 2HG2 VAL 38 -4.344 -8.182 11.122 311 3HG2 VAL 38 3HG2 VAL 38 -4.492 -6.689 12.046 312 H VAL 39 H VAL 39 -0.747 -5.243 12.924 313 HA VAL 39 HA VAL 39 1.727 -6.713 13.288 314 HB VAL 39 HB VAL 39 1.277 -3.851 12.373 315 1HG1 VAL 39 1HG1 VAL 39 3.545 -4.247 13.211 316 2HG1 VAL 39 2HG1 VAL 39 3.511 -3.953 11.481 317 3HG1 VAL 39 3HG1 VAL 39 3.718 -5.601 12.089 318 1HG2 VAL 39 1HG2 VAL 39 1.726 -6.357 10.757 319 2HG2 VAL 39 2HG2 VAL 39 1.636 -4.720 10.111 320 3HG2 VAL 39 3HG2 VAL 39 0.220 -5.448 10.872 321 H GLY 40 H GLY 40 -0.002 -4.281 15.114 322 1HA GLY 40 1HA GLY 40 0.367 -3.663 17.275 323 2HA GLY 40 2HA GLY 40 1.659 -4.841 17.343 324 H THR 41 H THR 41 2.026 -2.661 14.749 325 HA THR 41 HA THR 41 4.109 -1.298 16.291 326 HB THR 41 HB THR 41 3.801 -1.592 13.259 327 HG1 THR 41 HG1 THR 41 5.728 -2.991 14.788 328 1HG2 THR 41 1HG2 THR 41 6.242 -1.099 13.215 329 2HG2 THR 41 2HG2 THR 41 6.202 -0.760 14.949 330 3HG2 THR 41 3HG2 THR 41 5.314 0.261 13.815 331 H THR 42 H THR 42 4.451 1.084 14.928 332 HA THR 42 HA THR 42 1.829 2.310 14.992 333 HB THR 42 HB THR 42 3.264 4.443 15.334 334 HG1 THR 42 HG1 THR 42 5.064 2.758 16.605 335 1HG2 THR 42 1HG2 THR 42 3.049 2.368 17.519 336 2HG2 THR 42 2HG2 THR 42 1.794 3.515 17.047 337 3HG2 THR 42 3HG2 THR 42 3.288 4.099 17.772 338 H VAL 43 H VAL 43 1.551 4.188 13.558 339 HA VAL 43 HA VAL 43 1.736 3.233 10.947 340 HB VAL 43 HB VAL 43 0.950 5.991 11.937 341 1HG1 VAL 43 1HG1 VAL 43 -0.144 6.354 9.798 342 2HG1 VAL 43 2HG1 VAL 43 0.424 4.804 9.213 343 3HG1 VAL 43 3HG1 VAL 43 1.585 6.094 9.553 344 1HG2 VAL 43 1HG2 VAL 43 -1.338 5.183 11.618 345 2HG2 VAL 43 2HG2 VAL 43 -0.453 4.174 12.766 346 3HG2 VAL 43 3HG2 VAL 43 -0.714 3.615 11.115 347 H ASP 44 H ASP 44 3.595 5.830 12.468 348 HA ASP 44 HA ASP 44 4.861 6.570 10.021 349 1HB ASP 44 1HB ASP 44 4.552 8.170 11.852 350 2HB ASP 44 2HB ASP 44 5.646 7.215 12.845 351 H SER 45 H SER 45 5.739 4.391 12.673 352 HA SER 45 HA SER 45 8.386 4.077 11.715 353 1HB SER 45 1HB SER 45 6.832 2.793 13.897 354 2HB SER 45 2HB SER 45 8.558 2.702 13.612 355 HG SER 45 HG SER 45 8.740 4.900 13.971 356 H MET 46 H MET 46 5.564 2.865 10.715 357 HA MET 46 HA MET 46 6.858 0.337 9.918 358 1HB MET 46 1HB MET 46 4.720 0.227 11.419 359 2HB MET 46 2HB MET 46 3.888 0.755 9.988 360 1HG MET 46 1HG MET 46 3.729 -1.641 10.169 361 2HG MET 46 2HG MET 46 4.665 -1.180 8.742 362 1HE MET 46 1HE MET 46 4.693 -4.120 9.906 363 2HE MET 46 2HE MET 46 6.416 -4.488 9.869 364 3HE MET 46 3HE MET 46 5.679 -3.626 8.530 365 H ARG 47 H ARG 47 7.381 0.359 7.853 366 HA ARG 47 HA ARG 47 6.403 2.558 6.182 367 1HB ARG 47 1HB ARG 47 8.851 2.087 6.625 368 2HB ARG 47 2HB ARG 47 8.658 0.620 5.687 369 1HG ARG 47 1HG ARG 47 9.660 2.303 4.326 370 2HG ARG 47 2HG ARG 47 8.018 2.011 3.739 371 1HD ARG 47 1HD ARG 47 7.239 4.002 4.876 372 2HD ARG 47 2HD ARG 47 8.836 4.243 5.588 373 HE ARG 47 HE ARG 47 8.899 4.124 2.748 374 1HH1 ARG 47 1HH1 ARG 47 8.280 6.298 5.479 375 2HH1 ARG 47 2HH1 ARG 47 8.673 7.709 4.616 376 1HH2 ARG 47 1HH2 ARG 47 9.384 6.001 1.585 377 2HH2 ARG 47 2HH2 ARG 47 9.307 7.555 2.294 378 H ILE 48 H ILE 48 5.445 2.200 4.092 379 HA ILE 48 HA ILE 48 4.504 -0.546 3.688 380 HB ILE 48 HB ILE 48 3.098 2.072 3.113 381 1HG1 ILE 48 1HG1 ILE 48 3.081 1.520 5.491 382 2HG1 ILE 48 2HG1 ILE 48 1.480 1.331 4.775 383 1HG2 ILE 48 1HG2 ILE 48 2.579 0.422 1.416 384 2HG2 ILE 48 2HG2 ILE 48 1.180 0.707 2.458 385 3HG2 ILE 48 3HG2 ILE 48 2.162 -0.740 2.672 386 1HD1 ILE 48 1HD1 ILE 48 3.394 -0.906 5.430 387 2HD1 ILE 48 2HD1 ILE 48 1.796 -1.091 4.712 388 3HD1 ILE 48 3HD1 ILE 48 1.958 -0.459 6.350 389 H GLN 49 H GLN 49 5.195 -1.444 1.930 390 HA GLN 49 HA GLN 49 6.015 0.219 -0.319 391 1HB GLN 49 1HB GLN 49 7.002 -2.506 0.461 392 2HB GLN 49 2HB GLN 49 7.508 -1.615 -0.971 393 1HG GLN 49 1HG GLN 49 8.359 0.163 0.454 394 2HG GLN 49 2HG GLN 49 7.863 -0.764 1.870 395 1HE2 GLN 49 1HE2 GLN 49 10.090 -0.484 -0.732 396 2HE2 GLN 49 2HE2 GLN 49 11.221 -1.653 -0.156 397 H LEU 50 H LEU 50 5.606 -0.675 -2.448 398 HA LEU 50 HA LEU 50 3.262 -2.480 -2.518 399 1HB LEU 50 1HB LEU 50 3.064 0.018 -3.215 400 2HB LEU 50 2HB LEU 50 4.019 -0.429 -4.594 401 HG LEU 50 HG LEU 50 1.195 -1.358 -3.968 402 1HD1 LEU 50 1HD1 LEU 50 2.264 0.354 -6.161 403 2HD1 LEU 50 2HD1 LEU 50 1.360 0.889 -4.753 404 3HD1 LEU 50 3HD1 LEU 50 0.588 -0.159 -5.950 405 1HD2 LEU 50 1HD2 LEU 50 2.362 -3.212 -5.048 406 2HD2 LEU 50 2HD2 LEU 50 2.949 -2.121 -6.297 407 3HD2 LEU 50 3HD2 LEU 50 1.229 -2.451 -6.170 408 H PHE 51 H PHE 51 3.748 -4.366 -3.422 409 HA PHE 51 HA PHE 51 5.751 -4.458 -5.566 410 1HB PHE 51 1HB PHE 51 5.118 -6.586 -3.490 411 2HB PHE 51 2HB PHE 51 6.142 -6.855 -4.891 412 HD1 PHE 51 HD1 PHE 51 5.918 -5.405 -1.574 413 HD2 PHE 51 HD2 PHE 51 8.336 -5.790 -5.036 414 HE1 PHE 51 HE1 PHE 51 7.877 -4.641 -0.292 415 HE2 PHE 51 HE2 PHE 51 10.297 -5.029 -3.765 416 HZ PHE 51 HZ PHE 51 10.067 -4.453 -1.385 417 H ASP 52 H ASP 52 5.091 -5.626 -7.453 418 HA ASP 52 HA ASP 52 2.266 -5.807 -7.588 419 1HB ASP 52 1HB ASP 52 2.581 -6.259 -9.907 420 2HB ASP 52 2HB ASP 52 3.468 -4.832 -9.431 421 H GLY 53 H GLY 53 1.819 -7.745 -9.308 422 1HA GLY 53 1HA GLY 53 1.371 -9.957 -7.626 423 2HA GLY 53 2HA GLY 53 1.146 -9.950 -9.363 424 H ASP 54 H ASP 54 4.135 -9.289 -9.664 425 HA ASP 54 HA ASP 54 4.943 -12.051 -9.571 426 1HB ASP 54 1HB ASP 54 6.165 -9.619 -10.820 427 2HB ASP 54 2HB ASP 54 7.019 -11.152 -10.713 428 H ASP 55 H ASP 55 6.710 -9.080 -8.755 429 HA ASP 55 HA ASP 55 7.306 -9.767 -6.141 430 1HB ASP 55 1HB ASP 55 8.584 -11.647 -7.078 431 2HB ASP 55 2HB ASP 55 9.516 -10.533 -8.067 432 H GLN 56 H GLN 56 8.255 -8.254 -9.089 433 HA GLN 56 HA GLN 56 10.164 -6.489 -8.260 434 1HB GLN 56 1HB GLN 56 8.084 -6.036 -10.381 435 2HB GLN 56 2HB GLN 56 9.491 -5.047 -10.145 436 1HG GLN 56 1HG GLN 56 9.901 -6.545 -11.997 437 2HG GLN 56 2HG GLN 56 10.957 -6.962 -10.658 438 1HE2 GLN 56 1HE2 GLN 56 8.264 -7.949 -12.594 439 2HE2 GLN 56 2HE2 GLN 56 8.252 -9.603 -12.092 440 H LEU 57 H LEU 57 10.199 -4.388 -7.792 441 HA LEU 57 HA LEU 57 8.185 -3.534 -5.908 442 1HB LEU 57 1HB LEU 57 10.570 -3.231 -5.403 443 2HB LEU 57 2HB LEU 57 10.749 -2.219 -6.817 444 HG LEU 57 HG LEU 57 9.250 -0.540 -5.778 445 1HD1 LEU 57 1HD1 LEU 57 8.729 -0.701 -3.397 446 2HD1 LEU 57 2HD1 LEU 57 9.391 -2.337 -3.365 447 3HD1 LEU 57 3HD1 LEU 57 7.955 -1.981 -4.327 448 1HD2 LEU 57 1HD2 LEU 57 11.663 -0.322 -5.574 449 2HD2 LEU 57 2HD2 LEU 57 11.646 -1.322 -4.123 450 3HD2 LEU 57 3HD2 LEU 57 10.860 0.256 -4.115 451 H LYS 58 H LYS 58 6.510 -2.423 -6.506 452 HA LYS 58 HA LYS 58 6.349 -1.229 -9.144 453 1HB LYS 58 1HB LYS 58 4.554 -2.511 -7.640 454 2HB LYS 58 2HB LYS 58 4.330 -0.909 -6.976 455 1HG LYS 58 1HG LYS 58 3.811 -1.767 -9.841 456 2HG LYS 58 2HG LYS 58 2.599 -1.462 -8.620 457 1HD LYS 58 1HD LYS 58 2.537 0.457 -9.948 458 2HD LYS 58 2HD LYS 58 3.576 0.952 -8.614 459 1HE LYS 58 1HE LYS 58 5.540 0.480 -9.972 460 2HE LYS 58 2HE LYS 58 4.506 -0.025 -11.310 461 1HZ LYS 58 1HZ LYS 58 5.272 2.217 -11.606 462 2HZ LYS 58 2HZ LYS 58 4.658 2.682 -10.109 463 3HZ LYS 58 3HZ LYS 58 3.604 2.256 -11.345 464 H GLY 59 H GLY 59 6.325 -0.342 -5.714 465 1HA GLY 59 1HA GLY 59 7.802 1.941 -5.890 466 2HA GLY 59 2HA GLY 59 6.127 2.441 -6.124 467 H GLU 60 H GLU 60 6.736 3.594 -4.020 468 HA GLU 60 HA GLU 60 6.060 1.818 -1.843 469 1HB GLU 60 1HB GLU 60 8.432 2.561 -1.814 470 2HB GLU 60 2HB GLU 60 7.901 4.227 -1.892 471 1HG GLU 60 1HG GLU 60 6.952 4.073 0.303 472 2HG GLU 60 2HG GLU 60 7.293 2.343 0.368 473 H LEU 61 H LEU 61 4.426 2.679 -0.523 474 HA LEU 61 HA LEU 61 2.766 4.625 -1.890 475 1HB LEU 61 1HB LEU 61 2.310 3.122 0.676 476 2HB LEU 61 2HB LEU 61 1.192 4.320 0.058 477 HG LEU 61 HG LEU 61 0.834 2.883 -1.948 478 1HD1 LEU 61 1HD1 LEU 61 2.914 1.699 -1.996 479 2HD1 LEU 61 2HD1 LEU 61 1.553 0.571 -1.924 480 3HD1 LEU 61 3HD1 LEU 61 2.523 0.877 -0.487 481 1HD2 LEU 61 1HD2 LEU 61 -0.711 2.756 -0.088 482 2HD2 LEU 61 2HD2 LEU 61 0.309 1.560 0.704 483 3HD2 LEU 61 3HD2 LEU 61 -0.493 1.163 -0.813 484 H THR 62 H THR 62 3.096 4.705 1.330 485 HA THR 62 HA THR 62 4.129 6.198 2.828 486 HB THR 62 HB THR 62 5.101 7.607 0.353 487 HG1 THR 62 HG1 THR 62 6.670 6.187 0.295 488 1HG2 THR 62 1HG2 THR 62 5.366 8.985 2.373 489 2HG2 THR 62 2HG2 THR 62 6.918 8.415 1.732 490 3HG2 THR 62 3HG2 THR 62 6.220 7.637 3.156 491 H ASP 63 H ASP 63 1.560 6.956 0.818 492 HA ASP 63 HA ASP 63 1.090 9.460 2.304 493 1HB ASP 63 1HB ASP 63 0.166 8.931 -0.522 494 2HB ASP 63 2HB ASP 63 -0.165 10.346 0.412 495 H GLY 64 H GLY 64 -0.686 9.425 3.466 496 1HA GLY 64 1HA GLY 64 -2.825 7.645 2.549 497 2HA GLY 64 2HA GLY 64 -2.489 7.642 4.245 498 H ALA 65 H ALA 65 -2.086 10.700 2.893 499 HA ALA 65 HA ALA 65 -4.574 11.628 3.996 500 1HB ALA 65 1HB ALA 65 -3.823 13.848 3.194 501 2HB ALA 65 2HB ALA 65 -2.459 13.077 2.376 502 3HB ALA 65 3HB ALA 65 -2.572 13.035 4.134 503 H LYS 66 H LYS 66 -3.585 10.199 1.194 504 HA LYS 66 HA LYS 66 -5.938 11.125 -0.240 505 1HB LYS 66 1HB LYS 66 -4.714 10.434 -2.318 506 2HB LYS 66 2HB LYS 66 -4.028 11.816 -1.478 507 1HG LYS 66 1HG LYS 66 -2.255 10.449 -0.574 508 2HG LYS 66 2HG LYS 66 -2.989 8.994 -1.250 509 1HD LYS 66 1HD LYS 66 -1.110 9.770 -2.618 510 2HD LYS 66 2HD LYS 66 -2.626 9.841 -3.506 511 1HE LYS 66 1HE LYS 66 -2.729 12.295 -2.941 512 2HE LYS 66 2HE LYS 66 -1.111 12.135 -2.256 513 1HZ LYS 66 1HZ LYS 66 -0.313 11.424 -4.440 514 2HZ LYS 66 2HZ LYS 66 -1.077 12.929 -4.558 515 3HZ LYS 66 3HZ LYS 66 -1.891 11.527 -5.031 516 H SER 67 H SER 67 -6.601 9.231 -1.913 517 HA SER 67 HA SER 67 -7.187 7.037 -0.195 518 1HB SER 67 1HB SER 67 -7.913 7.407 -3.084 519 2HB SER 67 2HB SER 67 -8.720 6.437 -1.868 520 HG SER 67 HG SER 67 -8.967 9.013 -2.473 521 H LEU 68 H LEU 68 -6.971 4.929 -0.977 522 HA LEU 68 HA LEU 68 -4.444 4.101 -1.860 523 1HB LEU 68 1HB LEU 68 -7.112 2.731 -1.875 524 2HB LEU 68 2HB LEU 68 -5.565 1.919 -2.041 525 HG LEU 68 HG LEU 68 -6.378 3.533 0.378 526 1HD1 LEU 68 1HD1 LEU 68 -6.450 0.544 0.022 527 2HD1 LEU 68 2HD1 LEU 68 -7.831 1.617 0.163 528 3HD1 LEU 68 3HD1 LEU 68 -6.729 1.424 1.525 529 1HD2 LEU 68 1HD2 LEU 68 -4.498 2.368 1.451 530 2HD2 LEU 68 2HD2 LEU 68 -3.987 3.392 0.115 531 3HD2 LEU 68 3HD2 LEU 68 -4.079 1.642 -0.099 532 H LYS 69 H LYS 69 -7.365 4.905 -3.451 533 HA LYS 69 HA LYS 69 -6.714 3.751 -5.988 534 1HB LYS 69 1HB LYS 69 -9.065 4.172 -5.195 535 2HB LYS 69 2HB LYS 69 -8.771 5.878 -5.377 536 1HG LYS 69 1HG LYS 69 -8.551 5.668 -7.756 537 2HG LYS 69 2HG LYS 69 -8.620 3.905 -7.642 538 1HD LYS 69 1HD LYS 69 -10.898 4.070 -6.722 539 2HD LYS 69 2HD LYS 69 -10.830 5.822 -6.888 540 1HE LYS 69 1HE LYS 69 -12.057 4.757 -8.725 541 2HE LYS 69 2HE LYS 69 -10.632 5.615 -9.295 542 1HZ LYS 69 1HZ LYS 69 -9.471 3.496 -9.439 543 2HZ LYS 69 2HZ LYS 69 -10.881 3.438 -10.352 544 3HZ LYS 69 3HZ LYS 69 -10.819 2.669 -8.844 545 H ASP 70 H ASP 70 -6.451 7.007 -4.556 546 HA ASP 70 HA ASP 70 -5.400 8.322 -6.843 547 1HB ASP 70 1HB ASP 70 -6.108 9.413 -4.658 548 2HB ASP 70 2HB ASP 70 -4.608 8.839 -3.974 549 H LEU 71 H LEU 71 -4.043 6.337 -4.370 550 HA LEU 71 HA LEU 71 -1.270 6.701 -5.027 551 1HB LEU 71 1HB LEU 71 -2.644 4.457 -3.556 552 2HB LEU 71 2HB LEU 71 -0.910 4.647 -3.672 553 HG LEU 71 HG LEU 71 -2.786 6.557 -2.212 554 1HD1 LEU 71 1HD1 LEU 71 -1.775 5.686 -0.231 555 2HD1 LEU 71 2HD1 LEU 71 -0.797 4.581 -1.191 556 3HD1 LEU 71 3HD1 LEU 71 -2.548 4.380 -1.138 557 1HD2 LEU 71 1HD2 LEU 71 0.219 6.462 -2.413 558 2HD2 LEU 71 2HD2 LEU 71 -0.757 7.542 -1.414 559 3HD2 LEU 71 3HD2 LEU 71 -0.825 7.676 -3.172 560 H GLY 72 H GLY 72 -3.774 4.982 -6.473 561 1HA GLY 72 1HA GLY 72 -3.759 3.876 -8.504 562 2HA GLY 72 2HA GLY 72 -2.002 3.960 -8.499 563 H VAL 73 H VAL 73 -3.400 2.745 -5.651 564 HA VAL 73 HA VAL 73 -2.258 0.151 -6.254 565 HB VAL 73 HB VAL 73 -3.550 1.083 -3.674 566 1HG1 VAL 73 1HG1 VAL 73 -1.576 -1.131 -4.221 567 2HG1 VAL 73 2HG1 VAL 73 -3.305 -1.330 -3.971 568 3HG1 VAL 73 3HG1 VAL 73 -2.297 -0.725 -2.656 569 1HG2 VAL 73 1HG2 VAL 73 -1.289 1.559 -2.858 570 2HG2 VAL 73 2HG2 VAL 73 -1.708 2.580 -4.235 571 3HG2 VAL 73 3HG2 VAL 73 -0.642 1.194 -4.457 572 H ARG 74 H ARG 74 -3.543 -1.242 -7.230 573 HA ARG 74 HA ARG 74 -6.371 -1.297 -6.485 574 1HB ARG 74 1HB ARG 74 -5.198 -1.713 -9.235 575 2HB ARG 74 2HB ARG 74 -6.877 -2.012 -8.809 576 1HG ARG 74 1HG ARG 74 -7.103 0.374 -8.201 577 2HG ARG 74 2HG ARG 74 -5.449 0.631 -8.749 578 1HD ARG 74 1HD ARG 74 -7.071 1.241 -10.472 579 2HD ARG 74 2HD ARG 74 -6.047 -0.096 -10.975 580 HE ARG 74 HE ARG 74 -7.926 -1.573 -10.354 581 1HH1 ARG 74 1HH1 ARG 74 -8.616 1.804 -11.179 582 2HH1 ARG 74 2HH1 ARG 74 -10.189 1.460 -11.752 583 1HH2 ARG 74 1HH2 ARG 74 -10.079 -2.001 -11.157 584 2HH2 ARG 74 2HH2 ARG 74 -11.017 -0.688 -11.741 585 H ASP 75 H ASP 75 -7.133 -3.535 -7.839 586 HA ASP 75 HA ASP 75 -6.334 -5.532 -6.037 587 1HB ASP 75 1HB ASP 75 -7.619 -7.073 -7.399 588 2HB ASP 75 2HB ASP 75 -8.511 -5.598 -7.046 589 H GLY 76 H GLY 76 -5.275 -7.235 -6.201 590 1HA GLY 76 1HA GLY 76 -3.756 -8.825 -7.062 591 2HA GLY 76 2HA GLY 76 -3.744 -7.919 -8.564 592 H TYR 77 H TYR 77 -3.207 -5.583 -6.439 593 HA TYR 77 HA TYR 77 -0.342 -5.858 -6.676 594 1HB TYR 77 1HB TYR 77 -2.078 -3.558 -5.775 595 2HB TYR 77 2HB TYR 77 -0.325 -3.521 -5.705 596 HD1 TYR 77 HD1 TYR 77 0.976 -3.596 -7.888 597 HD2 TYR 77 HD2 TYR 77 -3.243 -3.123 -7.792 598 HE1 TYR 77 HE1 TYR 77 1.024 -2.723 -10.186 599 HE2 TYR 77 HE2 TYR 77 -3.207 -2.260 -10.080 600 HH TYR 77 HH TYR 77 -1.617 -1.137 -11.542 601 H ARG 78 H ARG 78 1.033 -5.742 -4.844 602 HA ARG 78 HA ARG 78 -0.374 -6.764 -2.517 603 1HB ARG 78 1HB ARG 78 2.351 -7.504 -3.560 604 2HB ARG 78 2HB ARG 78 1.587 -8.155 -2.109 605 1HG ARG 78 1HG ARG 78 -0.276 -9.002 -3.546 606 2HG ARG 78 2HG ARG 78 0.623 -8.443 -4.932 607 1HD ARG 78 1HD ARG 78 1.675 -10.445 -2.959 608 2HD ARG 78 2HD ARG 78 0.926 -10.842 -4.504 609 HE ARG 78 HE ARG 78 2.888 -9.139 -5.185 610 1HH1 ARG 78 1HH1 ARG 78 2.867 -12.059 -3.153 611 2HH1 ARG 78 2HH1 ARG 78 4.409 -12.570 -3.674 612 1HH2 ARG 78 1HH2 ARG 78 4.975 -9.825 -5.836 613 2HH2 ARG 78 2HH2 ARG 78 5.648 -11.266 -5.208 614 H ILE 79 H ILE 79 0.124 -6.017 -0.594 615 HA ILE 79 HA ILE 79 1.858 -3.680 -0.574 616 HB ILE 79 HB ILE 79 -0.555 -4.320 1.132 617 1HG1 ILE 79 1HG1 ILE 79 -1.093 -3.503 -1.102 618 2HG1 ILE 79 2HG1 ILE 79 -1.501 -2.290 0.114 619 1HG2 ILE 79 1HG2 ILE 79 -0.212 -2.145 2.218 620 2HG2 ILE 79 2HG2 ILE 79 1.299 -1.972 1.318 621 3HG2 ILE 79 3HG2 ILE 79 1.140 -3.250 2.518 622 1HD1 ILE 79 1HD1 ILE 79 0.917 -2.283 -1.692 623 2HD1 ILE 79 2HD1 ILE 79 0.566 -1.089 -0.447 624 3HD1 ILE 79 3HD1 ILE 79 -0.512 -1.259 -1.833 625 H HIS 80 H HIS 80 3.477 -3.600 0.656 626 HA HIS 80 HA HIS 80 4.046 -5.868 2.444 627 1HB HIS 80 1HB HIS 80 5.392 -5.913 0.465 628 2HB HIS 80 2HB HIS 80 5.820 -4.219 0.658 629 HD1 HIS 80 HD1 HIS 80 6.386 -7.566 2.146 630 HD2 HIS 80 HD2 HIS 80 7.940 -3.744 2.238 631 HE1 HIS 80 HE1 HIS 80 8.494 -7.781 3.513 632 HE2 HIS 80 HE2 HIS 80 9.614 -5.578 3.188 633 H ALA 81 H ALA 81 4.443 -5.373 4.467 634 HA ALA 81 HA ALA 81 4.996 -2.576 5.144 635 1HB ALA 81 1HB ALA 81 4.095 -3.101 7.364 636 2HB ALA 81 2HB ALA 81 3.841 -4.774 6.868 637 3HB ALA 81 3HB ALA 81 2.923 -3.480 6.106 638 H VAL 82 H VAL 82 6.828 -2.087 6.301 639 HA VAL 82 HA VAL 82 8.461 -4.277 7.258 640 HB VAL 82 HB VAL 82 9.208 -3.715 4.962 641 1HG1 VAL 82 1HG1 VAL 82 9.841 -1.000 6.044 642 2HG1 VAL 82 2HG1 VAL 82 8.633 -1.400 4.819 643 3HG1 VAL 82 3HG1 VAL 82 10.349 -1.611 4.470 644 1HG2 VAL 82 1HG2 VAL 82 11.200 -2.997 7.104 645 2HG2 VAL 82 2HG2 VAL 82 11.609 -3.428 5.444 646 3HG2 VAL 82 3HG2 VAL 82 10.842 -4.616 6.500 647 H ASP 83 H ASP 83 9.649 -3.745 9.027 648 HA ASP 83 HA ASP 83 8.668 -1.481 10.514 649 1HB ASP 83 1HB ASP 83 8.940 -3.596 11.684 650 2HB ASP 83 2HB ASP 83 10.659 -3.605 11.295 651 H VAL 84 H VAL 84 9.568 0.414 10.637 652 HA VAL 84 HA VAL 84 12.424 0.544 10.128 653 HB VAL 84 HB VAL 84 11.050 1.619 8.381 654 1HG1 VAL 84 1HG1 VAL 84 10.228 3.573 10.496 655 2HG1 VAL 84 2HG1 VAL 84 9.189 2.440 9.633 656 3HG1 VAL 84 3HG1 VAL 84 9.949 3.778 8.767 657 1HG2 VAL 84 1HG2 VAL 84 12.776 3.499 9.930 658 2HG2 VAL 84 2HG2 VAL 84 12.279 3.749 8.253 659 3HG2 VAL 84 3HG2 VAL 84 13.317 2.374 8.677 660 H THR 85 H THR 85 10.566 0.229 12.495 661 HA THR 85 HA THR 85 11.012 2.520 14.162 662 HB THR 85 HB THR 85 10.460 -0.273 15.161 663 HG1 THR 85 HG1 THR 85 8.786 -0.250 13.930 664 1HG2 THR 85 1HG2 THR 85 9.138 0.908 16.865 665 2HG2 THR 85 2HG2 THR 85 9.531 2.445 16.100 666 3HG2 THR 85 3HG2 THR 85 10.807 1.480 16.840 667 H GLY 86 H GLY 86 12.407 -0.639 13.669 668 1HA GLY 86 1HA GLY 86 14.753 0.164 15.259 669 2HA GLY 86 2HA GLY 86 14.328 -1.503 14.854 670 H GLY 87 H GLY 87 13.520 0.179 12.322 671 1HA GLY 87 1HA GLY 87 14.375 0.385 10.146 672 2HA GLY 87 2HA GLY 87 15.932 0.660 10.912 673 H ASN 88 H ASN 88 13.665 -2.066 10.265 674 HA ASN 88 HA ASN 88 16.081 -3.590 9.849 675 1HB ASN 88 1HB ASN 88 14.723 -5.655 9.853 676 2HB ASN 88 2HB ASN 88 14.513 -4.747 11.328 677 1HD2 ASN 88 1HD2 ASN 88 12.651 -5.762 11.796 678 2HD2 ASN 88 2HD2 ASN 88 11.158 -5.519 10.988 679 H GLU 89 H GLU 89 16.056 -5.138 8.033 680 HA GLU 89 HA GLU 89 16.443 -5.301 5.849 681 1HB GLU 89 1HB GLU 89 14.035 -5.517 5.481 682 2HB GLU 89 2HB GLU 89 13.820 -3.780 5.591 683 1HG GLU 89 1HG GLU 89 13.646 -4.543 3.288 684 2HG GLU 89 2HG GLU 89 15.033 -3.480 3.513 685 H ASP 90 H ASP 90 18.221 -4.123 6.430 686 HA ASP 90 HA ASP 90 18.498 -1.672 4.915 687 1HB ASP 90 1HB ASP 90 18.023 -0.929 7.221 688 2HB ASP 90 2HB ASP 90 19.308 -1.967 7.823 Start of MODEL 7 1 H MET 1 H MET 1 -19.930 5.054 -3.793 2 HA MET 1 HA MET 1 -19.889 3.798 -6.451 3 1HB MET 1 1HB MET 1 -17.785 5.420 -4.997 4 2HB MET 1 2HB MET 1 -17.540 4.584 -6.515 5 1HG MET 1 1HG MET 1 -19.420 6.892 -6.043 6 2HG MET 1 2HG MET 1 -17.854 6.957 -6.848 7 1HE MET 1 1HE MET 1 -20.409 7.575 -9.741 8 2HE MET 1 2HE MET 1 -18.992 8.200 -8.893 9 3HE MET 1 3HE MET 1 -20.549 8.118 -8.069 10 H THR 2 H THR 2 -19.777 1.657 -6.044 11 HA THR 2 HA THR 2 -18.222 0.866 -3.735 12 HB THR 2 HB THR 2 -20.390 -0.212 -3.804 13 HG1 THR 2 HG1 THR 2 -18.945 -1.582 -2.954 14 1HG2 THR 2 1HG2 THR 2 -20.852 -0.124 -6.198 15 2HG2 THR 2 2HG2 THR 2 -21.044 -1.774 -5.609 16 3HG2 THR 2 3HG2 THR 2 -19.594 -1.316 -6.505 17 H GLU 3 H GLU 3 -16.198 0.548 -3.971 18 HA GLU 3 HA GLU 3 -15.170 -0.890 -6.274 19 1HB GLU 3 1HB GLU 3 -14.170 1.745 -5.241 20 2HB GLU 3 2HB GLU 3 -13.204 0.679 -6.249 21 1HG GLU 3 1HG GLU 3 -14.733 0.840 -7.979 22 2HG GLU 3 2HG GLU 3 -15.852 1.808 -7.006 23 H VAL 4 H VAL 4 -13.719 -2.259 -5.733 24 HA VAL 4 HA VAL 4 -12.420 -2.141 -3.118 25 HB VAL 4 HB VAL 4 -12.898 -4.612 -2.795 26 1HG1 VAL 4 1HG1 VAL 4 -15.282 -2.762 -2.757 27 2HG1 VAL 4 2HG1 VAL 4 -14.089 -2.941 -1.468 28 3HG1 VAL 4 3HG1 VAL 4 -15.157 -4.282 -1.875 29 1HG2 VAL 4 1HG2 VAL 4 -15.001 -4.079 -4.886 30 2HG2 VAL 4 2HG2 VAL 4 -14.854 -5.562 -3.944 31 3HG2 VAL 4 3HG2 VAL 4 -13.586 -5.101 -5.087 32 H TYR 5 H TYR 5 -10.531 -3.092 -3.020 33 HA TYR 5 HA TYR 5 -9.457 -4.484 -5.439 34 1HB TYR 5 1HB TYR 5 -7.940 -2.687 -3.538 35 2HB TYR 5 2HB TYR 5 -7.247 -3.618 -4.850 36 HD1 TYR 5 HD1 TYR 5 -7.997 -0.465 -3.870 37 HD2 TYR 5 HD2 TYR 5 -8.620 -3.028 -7.200 38 HE1 TYR 5 HE1 TYR 5 -8.238 1.489 -5.320 39 HE2 TYR 5 HE2 TYR 5 -8.864 -1.067 -8.666 40 HH TYR 5 HH TYR 5 -9.490 1.323 -8.431 41 H ASP 6 H ASP 6 -8.503 -6.339 -5.051 42 HA ASP 6 HA ASP 6 -8.321 -7.109 -2.275 43 1HB ASP 6 1HB ASP 6 -7.872 -9.405 -3.124 44 2HB ASP 6 2HB ASP 6 -9.443 -8.757 -3.565 45 H LEU 7 H LEU 7 -6.597 -6.876 -1.255 46 HA LEU 7 HA LEU 7 -4.109 -6.579 -2.742 47 1HB LEU 7 1HB LEU 7 -4.927 -5.541 -0.035 48 2HB LEU 7 2HB LEU 7 -3.311 -5.442 -0.678 49 HG LEU 7 HG LEU 7 -4.244 -3.962 -2.512 50 1HD1 LEU 7 1HD1 LEU 7 -6.575 -4.599 -2.378 51 2HD1 LEU 7 2HD1 LEU 7 -6.364 -2.865 -2.123 52 3HD1 LEU 7 3HD1 LEU 7 -6.675 -3.926 -0.751 53 1HD2 LEU 7 1HD2 LEU 7 -4.549 -3.024 0.319 54 2HD2 LEU 7 2HD2 LEU 7 -4.363 -1.988 -1.103 55 3HD2 LEU 7 3HD2 LEU 7 -3.063 -3.078 -0.623 56 H GLU 8 H GLU 8 -2.375 -7.752 -2.067 57 HA GLU 8 HA GLU 8 -2.976 -9.678 0.033 58 1HB GLU 8 1HB GLU 8 -2.596 -10.727 -2.167 59 2HB GLU 8 2HB GLU 8 -1.029 -9.942 -2.265 60 1HG GLU 8 1HG GLU 8 -0.210 -11.237 -0.419 61 2HG GLU 8 2HG GLU 8 -1.808 -11.927 -0.145 62 H ILE 9 H ILE 9 -2.031 -9.414 1.790 63 HA ILE 9 HA ILE 9 -0.071 -7.259 1.956 64 HB ILE 9 HB ILE 9 -1.554 -8.663 4.171 65 1HG1 ILE 9 1HG1 ILE 9 -3.180 -7.545 2.717 66 2HG1 ILE 9 2HG1 ILE 9 -3.052 -6.688 4.243 67 1HG2 ILE 9 1HG2 ILE 9 0.465 -7.581 4.953 68 2HG2 ILE 9 2HG2 ILE 9 -0.951 -6.705 5.537 69 3HG2 ILE 9 3HG2 ILE 9 -0.020 -6.069 4.184 70 1HD1 ILE 9 1HD1 ILE 9 -1.808 -5.888 1.625 71 2HD1 ILE 9 2HD1 ILE 9 -1.619 -5.012 3.148 72 3HD1 ILE 9 3HD1 ILE 9 -3.210 -5.138 2.392 73 H THR 10 H THR 10 1.918 -7.607 2.479 74 HA THR 10 HA THR 10 2.706 -10.193 3.625 75 HB THR 10 HB THR 10 4.638 -8.532 2.121 76 HG1 THR 10 HG1 THR 10 2.348 -9.491 1.059 77 1HG2 THR 10 1HG2 THR 10 5.561 -10.762 1.526 78 2HG2 THR 10 2HG2 THR 10 4.216 -11.514 2.381 79 3HG2 THR 10 3HG2 THR 10 5.384 -10.537 3.268 80 H THR 11 H THR 11 4.866 -9.774 4.829 81 HA THR 11 HA THR 11 5.139 -7.163 6.008 82 HB THR 11 HB THR 11 4.455 -9.388 7.850 83 HG1 THR 11 HG1 THR 11 2.682 -7.820 6.308 84 1HG2 THR 11 1HG2 THR 11 3.779 -7.548 9.396 85 2HG2 THR 11 2HG2 THR 11 4.237 -6.390 8.151 86 3HG2 THR 11 3HG2 THR 11 5.458 -7.440 8.870 87 H ASN 12 H ASN 12 6.806 -7.381 7.763 88 HA ASN 12 HA ASN 12 8.898 -9.159 6.859 89 1HB ASN 12 1HB ASN 12 10.290 -7.976 8.492 90 2HB ASN 12 2HB ASN 12 9.490 -6.868 7.382 91 1HD2 ASN 12 1HD2 ASN 12 10.627 -6.307 10.048 92 2HD2 ASN 12 2HD2 ASN 12 9.297 -5.727 10.989 93 H ALA 13 H ALA 13 6.537 -8.913 9.322 94 HA ALA 13 HA ALA 13 7.739 -10.789 11.090 95 1HB ALA 13 1HB ALA 13 6.275 -9.023 11.934 96 2HB ALA 13 2HB ALA 13 5.658 -10.618 12.360 97 3HB ALA 13 3HB ALA 13 4.922 -9.715 11.039 98 H THR 14 H THR 14 5.378 -10.890 8.471 99 HA THR 14 HA THR 14 5.180 -13.759 8.881 100 HB THR 14 HB THR 14 3.055 -13.549 7.515 101 HG1 THR 14 HG1 THR 14 2.669 -11.623 6.777 102 1HG2 THR 14 1HG2 THR 14 3.014 -13.948 9.931 103 2HG2 THR 14 2HG2 THR 14 1.693 -12.878 9.457 104 3HG2 THR 14 3HG2 THR 14 3.137 -12.213 10.226 105 H ASP 15 H ASP 15 5.947 -14.978 7.364 106 HA ASP 15 HA ASP 15 6.998 -13.812 4.947 107 1HB ASP 15 1HB ASP 15 8.320 -15.510 6.092 108 2HB ASP 15 2HB ASP 15 7.004 -16.668 5.939 109 H PHE 16 H PHE 16 4.248 -15.585 5.959 110 HA PHE 16 HA PHE 16 3.460 -16.277 3.285 111 1HB PHE 16 1HB PHE 16 2.920 -17.778 5.139 112 2HB PHE 16 2HB PHE 16 1.985 -16.493 5.900 113 HD1 PHE 16 HD1 PHE 16 2.171 -18.511 2.793 114 HD2 PHE 16 HD2 PHE 16 -0.290 -16.345 5.501 115 HE1 PHE 16 HE1 PHE 16 0.175 -19.291 1.598 116 HE2 PHE 16 HE2 PHE 16 -2.291 -17.122 4.309 117 HZ PHE 16 HZ PHE 16 -2.060 -18.597 2.357 118 HA PRO 17 HA PRO 17 1.443 -12.261 2.865 119 1HB PRO 17 1HB PRO 17 0.767 -13.142 0.173 120 2HB PRO 17 2HB PRO 17 1.864 -11.849 0.658 121 1HG PRO 17 1HG PRO 17 2.704 -14.168 -0.500 122 2HG PRO 17 2HG PRO 17 3.694 -13.218 0.617 123 1HD PRO 17 1HD PRO 17 2.129 -15.720 1.146 124 2HD PRO 17 2HD PRO 17 3.727 -15.199 1.735 125 H MET 18 H MET 18 -0.675 -11.703 3.040 126 HA MET 18 HA MET 18 -2.676 -13.880 2.816 127 1HB MET 18 1HB MET 18 -2.604 -11.596 4.803 128 2HB MET 18 2HB MET 18 -3.844 -12.838 4.712 129 1HG MET 18 1HG MET 18 -2.230 -14.536 5.316 130 2HG MET 18 2HG MET 18 -0.941 -13.335 5.318 131 1HE MET 18 1HE MET 18 -0.203 -14.114 7.729 132 2HE MET 18 2HE MET 18 -1.490 -15.322 7.730 133 3HE MET 18 3HE MET 18 -1.303 -14.234 9.104 134 H GLU 19 H GLU 19 -4.383 -13.421 1.465 135 HA GLU 19 HA GLU 19 -4.452 -10.738 0.387 136 1HB GLU 19 1HB GLU 19 -6.000 -11.567 -1.328 137 2HB GLU 19 2HB GLU 19 -4.530 -12.507 -1.284 138 1HG GLU 19 1HG GLU 19 -7.166 -13.358 -0.083 139 2HG GLU 19 2HG GLU 19 -6.566 -13.845 -1.660 140 H LYS 20 H LYS 20 -5.861 -9.265 0.739 141 HA LYS 20 HA LYS 20 -8.329 -9.905 2.174 142 1HB LYS 20 1HB LYS 20 -6.440 -9.446 3.740 143 2HB LYS 20 2HB LYS 20 -6.414 -7.808 3.093 144 1HG LYS 20 1HG LYS 20 -8.701 -7.473 3.747 145 2HG LYS 20 2HG LYS 20 -8.796 -9.140 4.319 146 1HD LYS 20 1HD LYS 20 -6.991 -7.011 5.350 147 2HD LYS 20 2HD LYS 20 -8.523 -7.588 6.076 148 1HE LYS 20 1HE LYS 20 -7.539 -9.807 6.407 149 2HE LYS 20 2HE LYS 20 -6.042 -9.291 5.640 150 1HZ LYS 20 1HZ LYS 20 -7.126 -8.201 8.179 151 2HZ LYS 20 2HZ LYS 20 -5.684 -7.744 7.453 152 3HZ LYS 20 3HZ LYS 20 -5.871 -9.312 8.034 153 H LYS 21 H LYS 21 -9.940 -8.631 1.534 154 HA LYS 21 HA LYS 21 -9.311 -6.806 -0.633 155 1HB LYS 21 1HB LYS 21 -10.942 -8.594 -1.023 156 2HB LYS 21 2HB LYS 21 -11.956 -7.968 0.264 157 1HG LYS 21 1HG LYS 21 -12.318 -5.920 -1.001 158 2HG LYS 21 2HG LYS 21 -11.261 -6.511 -2.278 159 1HD LYS 21 1HD LYS 21 -13.853 -7.796 -1.397 160 2HD LYS 21 2HD LYS 21 -13.639 -6.809 -2.842 161 1HE LYS 21 1HE LYS 21 -11.956 -8.487 -3.640 162 2HE LYS 21 2HE LYS 21 -12.373 -9.490 -2.254 163 1HZ LYS 21 1HZ LYS 21 -14.232 -8.637 -4.396 164 2HZ LYS 21 2HZ LYS 21 -14.656 -9.586 -3.058 165 3HZ LYS 21 3HZ LYS 21 -13.609 -10.189 -4.212 166 H TYR 22 H TYR 22 -9.603 -4.688 -0.579 167 HA TYR 22 HA TYR 22 -10.860 -3.497 1.784 168 1HB TYR 22 1HB TYR 22 -8.278 -2.676 0.432 169 2HB TYR 22 2HB TYR 22 -9.145 -1.643 1.548 170 HD1 TYR 22 HD1 TYR 22 -9.193 -2.169 3.929 171 HD2 TYR 22 HD2 TYR 22 -6.984 -4.580 1.206 172 HE1 TYR 22 HE1 TYR 22 -7.949 -3.142 5.809 173 HE2 TYR 22 HE2 TYR 22 -5.737 -5.560 3.082 174 HH TYR 22 HH TYR 22 -6.680 -5.100 6.345 175 HA PRO 23 HA PRO 23 -13.005 -1.050 -1.286 176 1HB PRO 23 1HB PRO 23 -12.981 1.253 0.507 177 2HB PRO 23 2HB PRO 23 -14.361 0.295 -0.019 178 1HG PRO 23 1HG PRO 23 -13.448 0.231 2.515 179 2HG PRO 23 2HG PRO 23 -14.155 -1.188 1.721 180 1HD PRO 23 1HD PRO 23 -11.275 -0.521 2.191 181 2HD PRO 23 2HD PRO 23 -12.118 -2.079 2.352 182 H ALA 24 H ALA 24 -12.495 0.352 -2.877 183 HA ALA 24 HA ALA 24 -9.819 1.219 -3.066 184 1HB ALA 24 1HB ALA 24 -10.450 2.074 -5.222 185 2HB ALA 24 2HB ALA 24 -12.147 2.007 -4.770 186 3HB ALA 24 3HB ALA 24 -11.230 0.513 -4.964 187 H GLY 25 H GLY 25 -12.691 2.662 -2.110 188 1HA GLY 25 1HA GLY 25 -11.673 5.383 -2.342 189 2HA GLY 25 2HA GLY 25 -13.305 4.939 -1.883 190 H MET 26 H MET 26 -11.183 3.133 -0.002 191 HA MET 26 HA MET 26 -11.674 4.970 2.199 192 1HB MET 26 1HB MET 26 -12.073 2.501 2.448 193 2HB MET 26 2HB MET 26 -10.338 2.236 2.300 194 1HG MET 26 1HG MET 26 -11.085 2.187 4.629 195 2HG MET 26 2HG MET 26 -9.971 3.527 4.343 196 1HE MET 26 1HE MET 26 -10.740 4.798 6.561 197 2HE MET 26 2HE MET 26 -11.806 3.443 6.931 198 3HE MET 26 3HE MET 26 -12.427 5.093 6.974 199 H SER 27 H SER 27 -9.722 5.320 3.817 200 HA SER 27 HA SER 27 -7.515 6.425 2.279 201 1HB SER 27 1HB SER 27 -6.872 7.187 4.557 202 2HB SER 27 2HB SER 27 -8.414 7.820 4.007 203 HG SER 27 HG SER 27 -8.656 7.093 6.099 204 H LEU 28 H LEU 28 -5.533 5.774 2.243 205 HA LEU 28 HA LEU 28 -5.025 3.045 2.836 206 1HB LEU 28 1HB LEU 28 -3.883 4.821 1.211 207 2HB LEU 28 2HB LEU 28 -2.859 5.075 2.584 208 HG LEU 28 HG LEU 28 -1.781 3.579 0.982 209 1HD1 LEU 28 1HD1 LEU 28 -1.160 3.291 3.281 210 2HD1 LEU 28 2HD1 LEU 28 -1.160 1.739 2.439 211 3HD1 LEU 28 3HD1 LEU 28 -2.487 2.156 3.522 212 1HD2 LEU 28 1HD2 LEU 28 -3.724 2.571 -0.013 213 2HD2 LEU 28 2HD2 LEU 28 -4.094 1.717 1.484 214 3HD2 LEU 28 3HD2 LEU 28 -2.631 1.321 0.579 215 H ASN 29 H ASN 29 -4.786 6.010 4.526 216 HA ASN 29 HA ASN 29 -3.035 5.295 6.685 217 1HB ASN 29 1HB ASN 29 -5.284 7.306 6.595 218 2HB ASN 29 2HB ASN 29 -4.280 7.055 8.016 219 1HD2 ASN 29 1HD2 ASN 29 -4.633 9.423 6.347 220 2HD2 ASN 29 2HD2 ASN 29 -3.050 9.831 5.791 221 H ASP 30 H ASP 30 -6.480 4.728 6.241 222 HA ASP 30 HA ASP 30 -6.869 3.725 8.874 223 1HB ASP 30 1HB ASP 30 -8.690 4.477 7.328 224 2HB ASP 30 2HB ASP 30 -8.377 3.060 6.365 225 H LEU 31 H LEU 31 -5.959 2.423 5.837 226 HA LEU 31 HA LEU 31 -6.146 -0.381 6.495 227 1HB LEU 31 1HB LEU 31 -5.997 0.871 4.179 228 2HB LEU 31 2HB LEU 31 -4.293 0.863 4.473 229 HG LEU 31 HG LEU 31 -5.970 -1.644 4.180 230 1HD1 LEU 31 1HD1 LEU 31 -4.092 -0.328 2.247 231 2HD1 LEU 31 2HD1 LEU 31 -5.852 -0.396 2.124 232 3HD1 LEU 31 3HD1 LEU 31 -4.901 -1.881 2.024 233 1HD2 LEU 31 1HD2 LEU 31 -3.976 -2.006 5.542 234 2HD2 LEU 31 2HD2 LEU 31 -2.977 -1.286 4.281 235 3HD2 LEU 31 3HD2 LEU 31 -3.826 -2.804 3.975 236 H LYS 32 H LYS 32 -3.449 2.015 6.424 237 HA LYS 32 HA LYS 32 -1.441 0.406 7.433 238 1HB LYS 32 1HB LYS 32 -2.031 3.275 7.997 239 2HB LYS 32 2HB LYS 32 -0.517 2.404 8.233 240 1HG LYS 32 1HG LYS 32 -0.384 2.007 5.851 241 2HG LYS 32 2HG LYS 32 -1.893 2.849 5.655 242 1HD LYS 32 1HD LYS 32 -0.011 4.305 5.148 243 2HD LYS 32 2HD LYS 32 -1.001 4.900 6.468 244 1HE LYS 32 1HE LYS 32 1.638 3.431 6.842 245 2HE LYS 32 2HE LYS 32 1.341 5.164 6.678 246 1HZ LYS 32 1HZ LYS 32 0.136 5.199 8.753 247 2HZ LYS 32 2HZ LYS 32 1.619 4.502 9.020 248 3HZ LYS 32 3HZ LYS 32 0.288 3.547 9.032 249 H LYS 33 H LYS 33 -3.851 2.420 9.185 250 HA LYS 33 HA LYS 33 -2.795 1.931 11.676 251 1HB LYS 33 1HB LYS 33 -4.502 3.681 10.899 252 2HB LYS 33 2HB LYS 33 -5.697 2.414 11.051 253 1HG LYS 33 1HG LYS 33 -5.632 3.861 13.012 254 2HG LYS 33 2HG LYS 33 -5.235 2.183 13.398 255 1HD LYS 33 1HD LYS 33 -3.760 3.798 14.502 256 2HD LYS 33 2HD LYS 33 -2.854 2.708 13.470 257 1HE LYS 33 1HE LYS 33 -2.852 4.519 11.714 258 2HE LYS 33 2HE LYS 33 -3.649 5.578 12.869 259 1HZ LYS 33 1HZ LYS 33 -1.314 5.978 12.856 260 2HZ LYS 33 2HZ LYS 33 -0.956 4.362 13.131 261 3HZ LYS 33 3HZ LYS 33 -1.690 5.278 14.345 262 H LYS 34 H LYS 34 -5.068 0.050 9.705 263 HA LYS 34 HA LYS 34 -5.753 -1.798 11.661 264 1HB LYS 34 1HB LYS 34 -6.053 -1.221 8.866 265 2HB LYS 34 2HB LYS 34 -6.125 -2.914 9.090 266 1HG LYS 34 1HG LYS 34 -8.363 -1.922 9.125 267 2HG LYS 34 2HG LYS 34 -8.004 -2.514 10.744 268 1HD LYS 34 1HD LYS 34 -7.402 -0.244 11.447 269 2HD LYS 34 2HD LYS 34 -7.700 0.345 9.815 270 1HE LYS 34 1HE LYS 34 -9.755 -0.922 11.612 271 2HE LYS 34 2HE LYS 34 -9.562 0.815 11.361 272 1HZ LYS 34 1HZ LYS 34 -10.033 0.458 9.007 273 2HZ LYS 34 2HZ LYS 34 -11.308 -0.027 9.991 274 3HZ LYS 34 3HZ LYS 34 -10.302 -1.195 9.302 275 H LEU 35 H LEU 35 -3.262 -1.689 9.098 276 HA LEU 35 HA LEU 35 -2.052 -4.153 9.571 277 1HB LEU 35 1HB LEU 35 -1.042 -1.505 8.616 278 2HB LEU 35 2HB LEU 35 -0.029 -2.899 8.554 279 HG LEU 35 HG LEU 35 -2.577 -2.408 7.029 280 1HD1 LEU 35 1HD1 LEU 35 -1.109 -2.522 5.076 281 2HD1 LEU 35 2HD1 LEU 35 0.283 -2.713 6.140 282 3HD1 LEU 35 3HD1 LEU 35 -0.649 -1.217 6.167 283 1HD2 LEU 35 1HD2 LEU 35 -2.153 -4.551 5.913 284 2HD2 LEU 35 2HD2 LEU 35 -2.476 -4.765 7.631 285 3HD2 LEU 35 3HD2 LEU 35 -0.821 -4.862 7.024 286 H GLU 36 H GLU 36 -1.402 -0.935 10.879 287 HA GLU 36 HA GLU 36 0.694 -1.442 12.577 288 1HB GLU 36 1HB GLU 36 -1.535 0.541 12.527 289 2HB GLU 36 2HB GLU 36 -0.300 0.626 13.751 290 1HG GLU 36 1HG GLU 36 1.398 0.956 12.030 291 2HG GLU 36 2HG GLU 36 0.180 0.775 10.772 292 H LEU 37 H LEU 37 -2.727 -1.949 12.977 293 HA LEU 37 HA LEU 37 -2.674 -2.373 15.784 294 1HB LEU 37 1HB LEU 37 -4.732 -1.802 14.533 295 2HB LEU 37 2HB LEU 37 -4.650 -3.345 13.722 296 HG LEU 37 HG LEU 37 -5.008 -4.486 15.884 297 1HD1 LEU 37 1HD1 LEU 37 -5.749 -3.188 17.818 298 2HD1 LEU 37 2HD1 LEU 37 -5.388 -1.694 16.954 299 3HD1 LEU 37 3HD1 LEU 37 -4.086 -2.805 17.377 300 1HD2 LEU 37 1HD2 LEU 37 -7.371 -3.883 16.111 301 2HD2 LEU 37 2HD2 LEU 37 -6.893 -4.006 14.418 302 3HD2 LEU 37 3HD2 LEU 37 -7.086 -2.421 15.167 303 H VAL 38 H VAL 38 -2.656 -4.540 12.983 304 HA VAL 38 HA VAL 38 -2.540 -6.914 14.573 305 HB VAL 38 HB VAL 38 -1.929 -6.585 11.625 306 1HG1 VAL 38 1HG1 VAL 38 -1.069 -8.676 12.505 307 2HG1 VAL 38 2HG1 VAL 38 -2.455 -8.977 11.458 308 3HG1 VAL 38 3HG1 VAL 38 -2.641 -9.051 13.208 309 1HG2 VAL 38 1HG2 VAL 38 -4.173 -5.795 12.144 310 2HG2 VAL 38 2HG2 VAL 38 -4.518 -7.299 12.995 311 3HG2 VAL 38 3HG2 VAL 38 -4.248 -7.315 11.253 312 H VAL 39 H VAL 39 -0.127 -5.034 12.786 313 HA VAL 39 HA VAL 39 1.944 -6.951 13.494 314 HB VAL 39 HB VAL 39 2.282 -4.343 11.983 315 1HG1 VAL 39 1HG1 VAL 39 4.366 -5.271 12.837 316 2HG1 VAL 39 2HG1 VAL 39 4.304 -5.396 11.079 317 3HG1 VAL 39 3HG1 VAL 39 4.003 -6.819 12.075 318 1HG2 VAL 39 1HG2 VAL 39 2.163 -5.674 9.921 319 2HG2 VAL 39 2HG2 VAL 39 0.649 -5.732 10.820 320 3HG2 VAL 39 3HG2 VAL 39 1.760 -7.103 10.870 321 H GLY 40 H GLY 40 0.691 -4.044 14.768 322 1HA GLY 40 1HA GLY 40 1.196 -3.121 16.830 323 2HA GLY 40 2HA GLY 40 2.543 -4.246 16.969 324 H THR 41 H THR 41 2.549 -2.735 14.046 325 HA THR 41 HA THR 41 4.912 -1.286 14.588 326 HB THR 41 HB THR 41 3.155 -0.962 12.197 327 HG1 THR 41 HG1 THR 41 5.170 -2.955 12.694 328 1HG2 THR 41 1HG2 THR 41 5.084 0.509 12.246 329 2HG2 THR 41 2HG2 THR 41 5.321 -0.708 10.992 330 3HG2 THR 41 3HG2 THR 41 6.159 -0.851 12.537 331 H THR 42 H THR 42 5.113 1.029 14.044 332 HA THR 42 HA THR 42 2.794 2.676 14.754 333 HB THR 42 HB THR 42 4.471 4.277 15.661 334 HG1 THR 42 HG1 THR 42 6.551 2.655 16.001 335 1HG2 THR 42 1HG2 THR 42 5.048 3.023 17.696 336 2HG2 THR 42 2HG2 THR 42 4.630 1.515 16.874 337 3HG2 THR 42 3HG2 THR 42 3.382 2.713 17.205 338 H VAL 43 H VAL 43 2.772 4.757 13.579 339 HA VAL 43 HA VAL 43 3.413 4.554 10.844 340 HB VAL 43 HB VAL 43 2.991 7.133 12.400 341 1HG1 VAL 43 1HG1 VAL 43 2.254 8.082 10.261 342 2HG1 VAL 43 2HG1 VAL 43 2.659 6.567 9.454 343 3HG1 VAL 43 3HG1 VAL 43 3.930 7.537 10.193 344 1HG2 VAL 43 1HG2 VAL 43 1.121 5.614 12.733 345 2HG2 VAL 43 2HG2 VAL 43 0.970 5.397 10.989 346 3HG2 VAL 43 3HG2 VAL 43 0.646 6.972 11.714 347 H ASP 44 H ASP 44 5.143 5.916 13.521 348 HA ASP 44 HA ASP 44 7.188 7.304 12.203 349 1HB ASP 44 1HB ASP 44 6.847 7.627 14.554 350 2HB ASP 44 2HB ASP 44 7.138 5.921 14.867 351 H SER 45 H SER 45 7.045 3.869 13.220 352 HA SER 45 HA SER 45 9.650 3.390 12.112 353 1HB SER 45 1HB SER 45 7.709 1.824 13.726 354 2HB SER 45 2HB SER 45 9.337 1.331 13.249 355 HG SER 45 HG SER 45 9.968 3.386 14.283 356 H MET 46 H MET 46 6.750 3.575 10.810 357 HA MET 46 HA MET 46 6.642 0.902 9.623 358 1HB MET 46 1HB MET 46 4.562 1.819 10.554 359 2HB MET 46 2HB MET 46 4.633 3.131 9.391 360 1HG MET 46 1HG MET 46 4.430 1.528 7.563 361 2HG MET 46 2HG MET 46 4.366 0.211 8.729 362 1HE MET 46 1HE MET 46 2.148 -0.716 7.748 363 2HE MET 46 2HE MET 46 2.217 0.540 6.512 364 3HE MET 46 3HE MET 46 0.724 0.275 7.417 365 H ARG 47 H ARG 47 7.212 0.450 7.679 366 HA ARG 47 HA ARG 47 7.452 2.576 5.667 367 1HB ARG 47 1HB ARG 47 9.523 1.327 6.078 368 2HB ARG 47 2HB ARG 47 8.627 -0.173 5.916 369 1HG ARG 47 1HG ARG 47 9.874 0.109 3.927 370 2HG ARG 47 2HG ARG 47 8.190 0.436 3.534 371 1HD ARG 47 1HD ARG 47 9.609 2.054 2.462 372 2HD ARG 47 2HD ARG 47 8.665 2.847 3.717 373 HE ARG 47 HE ARG 47 10.561 3.068 5.025 374 1HH1 ARG 47 1HH1 ARG 47 11.316 1.517 1.908 375 2HH1 ARG 47 2HH1 ARG 47 12.984 1.806 2.017 376 1HH2 ARG 47 1HH2 ARG 47 12.890 3.470 5.118 377 2HH2 ARG 47 2HH2 ARG 47 13.892 2.918 3.845 378 H ILE 48 H ILE 48 5.689 2.538 4.353 379 HA ILE 48 HA ILE 48 4.271 0.019 4.102 380 HB ILE 48 HB ILE 48 2.931 2.090 4.633 381 1HG1 ILE 48 1HG1 ILE 48 1.172 1.828 2.868 382 2HG1 ILE 48 2HG1 ILE 48 2.303 0.805 1.987 383 1HG2 ILE 48 1HG2 ILE 48 2.495 3.811 2.993 384 2HG2 ILE 48 2HG2 ILE 48 3.721 3.097 1.944 385 3HG2 ILE 48 3HG2 ILE 48 4.187 3.771 3.499 386 1HD1 ILE 48 1HD1 ILE 48 0.705 -0.511 3.219 387 2HD1 ILE 48 2HD1 ILE 48 1.201 0.258 4.722 388 3HD1 ILE 48 3HD1 ILE 48 2.336 -0.768 3.839 389 H GLN 49 H GLN 49 4.690 -1.216 2.283 390 HA GLN 49 HA GLN 49 5.977 0.245 0.118 391 1HB GLN 49 1HB GLN 49 7.482 -0.984 1.785 392 2HB GLN 49 2HB GLN 49 6.899 -2.452 1.023 393 1HG GLN 49 1HG GLN 49 7.824 -1.809 -1.069 394 2HG GLN 49 2HG GLN 49 8.232 -0.208 -0.448 395 1HE2 GLN 49 1HE2 GLN 49 10.378 -0.330 -0.727 396 2HE2 GLN 49 2HE2 GLN 49 11.414 -1.418 0.108 397 H LEU 50 H LEU 50 5.498 -0.423 -1.903 398 HA LEU 50 HA LEU 50 3.344 -2.428 -2.167 399 1HB LEU 50 1HB LEU 50 3.001 0.055 -2.838 400 2HB LEU 50 2HB LEU 50 4.137 -0.240 -4.113 401 HG LEU 50 HG LEU 50 1.325 -1.479 -3.938 402 1HD1 LEU 50 1HD1 LEU 50 1.294 0.855 -4.384 403 2HD1 LEU 50 2HD1 LEU 50 0.825 -0.099 -5.790 404 3HD1 LEU 50 3HD1 LEU 50 2.429 0.633 -5.714 405 1HD2 LEU 50 1HD2 LEU 50 3.390 -1.646 -6.130 406 2HD2 LEU 50 2HD2 LEU 50 1.761 -2.316 -6.157 407 3HD2 LEU 50 3HD2 LEU 50 2.969 -2.976 -5.055 408 H PHE 51 H PHE 51 3.749 -4.234 -3.338 409 HA PHE 51 HA PHE 51 6.093 -4.325 -5.117 410 1HB PHE 51 1HB PHE 51 5.006 -6.452 -3.259 411 2HB PHE 51 2HB PHE 51 6.064 -6.820 -4.602 412 HD1 PHE 51 HD1 PHE 51 5.947 -4.611 -1.582 413 HD2 PHE 51 HD2 PHE 51 8.300 -7.002 -4.190 414 HE1 PHE 51 HE1 PHE 51 7.902 -4.289 -0.123 415 HE2 PHE 51 HE2 PHE 51 10.253 -6.679 -2.739 416 HZ PHE 51 HZ PHE 51 10.055 -5.318 -0.700 417 H ASP 52 H ASP 52 5.422 -4.588 -7.274 418 HA ASP 52 HA ASP 52 3.532 -6.599 -7.792 419 1HB ASP 52 1HB ASP 52 2.549 -5.340 -9.469 420 2HB ASP 52 2HB ASP 52 2.039 -4.670 -7.918 421 H GLY 53 H GLY 53 3.468 -6.596 -10.278 422 1HA GLY 53 1HA GLY 53 4.661 -6.794 -12.268 423 2HA GLY 53 2HA GLY 53 6.005 -5.943 -11.503 424 H ASP 54 H ASP 54 4.216 -8.935 -11.111 425 HA ASP 54 HA ASP 54 4.758 -11.083 -10.956 426 1HB ASP 54 1HB ASP 54 6.102 -10.772 -12.969 427 2HB ASP 54 2HB ASP 54 7.447 -10.225 -11.985 428 H ASP 55 H ASP 55 7.278 -9.041 -9.582 429 HA ASP 55 HA ASP 55 7.169 -10.458 -7.143 430 1HB ASP 55 1HB ASP 55 8.447 -12.035 -8.452 431 2HB ASP 55 2HB ASP 55 9.599 -10.791 -8.869 432 H GLN 56 H GLN 56 8.639 -8.103 -9.190 433 HA GLN 56 HA GLN 56 10.608 -7.073 -7.524 434 1HB GLN 56 1HB GLN 56 9.165 -5.663 -9.742 435 2HB GLN 56 2HB GLN 56 10.644 -5.117 -8.980 436 1HG GLN 56 1HG GLN 56 11.773 -7.172 -9.735 437 2HG GLN 56 2HG GLN 56 10.289 -7.650 -10.560 438 1HE2 GLN 56 1HE2 GLN 56 11.248 -7.632 -12.558 439 2HE2 GLN 56 2HE2 GLN 56 11.676 -6.185 -13.382 440 H LEU 57 H LEU 57 10.857 -5.110 -6.543 441 HA LEU 57 HA LEU 57 8.699 -4.190 -4.830 442 1HB LEU 57 1HB LEU 57 11.004 -4.645 -4.055 443 2HB LEU 57 2HB LEU 57 11.623 -3.441 -5.147 444 HG LEU 57 HG LEU 57 9.820 -2.795 -2.794 445 1HD1 LEU 57 1HD1 LEU 57 11.897 -3.892 -2.047 446 2HD1 LEU 57 2HD1 LEU 57 11.914 -2.176 -1.643 447 3HD1 LEU 57 3HD1 LEU 57 12.842 -2.765 -3.021 448 1HD2 LEU 57 1HD2 LEU 57 9.978 -1.050 -4.541 449 2HD2 LEU 57 2HD2 LEU 57 11.740 -1.077 -4.382 450 3HD2 LEU 57 3HD2 LEU 57 10.738 -0.554 -3.032 451 H LYS 58 H LYS 58 7.440 -2.522 -5.249 452 HA LYS 58 HA LYS 58 7.949 -1.003 -7.673 453 1HB LYS 58 1HB LYS 58 5.683 -2.028 -6.652 454 2HB LYS 58 2HB LYS 58 5.627 -0.468 -5.878 455 1HG LYS 58 1HG LYS 58 5.546 -1.044 -8.850 456 2HG LYS 58 2HG LYS 58 4.215 -0.523 -7.850 457 1HD LYS 58 1HD LYS 58 4.807 1.388 -9.043 458 2HD LYS 58 2HD LYS 58 5.637 1.629 -7.510 459 1HE LYS 58 1HE LYS 58 7.694 0.832 -8.470 460 2HE LYS 58 2HE LYS 58 6.899 0.481 -10.002 461 1HZ LYS 58 1HZ LYS 58 7.213 3.193 -8.799 462 2HZ LYS 58 2HZ LYS 58 6.486 2.866 -10.275 463 3HZ LYS 58 3HZ LYS 58 8.117 2.574 -10.068 464 H GLY 59 H GLY 59 7.455 -0.530 -4.171 465 1HA GLY 59 1HA GLY 59 9.322 1.194 -3.465 466 2HA GLY 59 2HA GLY 59 8.324 2.265 -4.430 467 H GLU 60 H GLU 60 8.094 3.527 -2.496 468 HA GLU 60 HA GLU 60 6.498 2.372 -0.317 469 1HB GLU 60 1HB GLU 60 8.542 3.524 0.316 470 2HB GLU 60 2HB GLU 60 8.025 4.968 -0.543 471 1HG GLU 60 1HG GLU 60 6.130 5.159 1.040 472 2HG GLU 60 2HG GLU 60 6.764 3.767 1.910 473 H LEU 61 H LEU 61 4.438 3.029 0.030 474 HA LEU 61 HA LEU 61 3.128 4.652 -1.955 475 1HB LEU 61 1HB LEU 61 2.056 3.663 0.695 476 2HB LEU 61 2HB LEU 61 1.097 4.524 -0.482 477 HG LEU 61 HG LEU 61 1.425 2.632 -2.074 478 1HD1 LEU 61 1HD1 LEU 61 2.780 1.329 0.254 479 2HD1 LEU 61 2HD1 LEU 61 3.453 1.644 -1.342 480 3HD1 LEU 61 3HD1 LEU 61 2.149 0.465 -1.135 481 1HD2 LEU 61 1HD2 LEU 61 -0.585 2.754 -0.733 482 2HD2 LEU 61 2HD2 LEU 61 0.222 1.898 0.579 483 3HD2 LEU 61 3HD2 LEU 61 -0.085 1.080 -0.950 484 H THR 62 H THR 62 3.341 5.121 1.258 485 HA THR 62 HA THR 62 3.975 6.770 2.695 486 HB THR 62 HB THR 62 5.875 7.361 1.137 487 HG1 THR 62 HG1 THR 62 4.587 9.341 2.679 488 1HG2 THR 62 1HG2 THR 62 4.047 9.633 0.285 489 2HG2 THR 62 2HG2 THR 62 4.583 8.315 -0.753 490 3HG2 THR 62 3HG2 THR 62 5.753 9.477 -0.131 491 H ASP 63 H ASP 63 1.355 7.063 0.888 492 HA ASP 63 HA ASP 63 0.419 9.252 2.591 493 1HB ASP 63 1HB ASP 63 -0.177 9.117 -0.392 494 2HB ASP 63 2HB ASP 63 -0.965 10.158 0.752 495 H GLY 64 H GLY 64 -1.621 9.037 3.291 496 1HA GLY 64 1HA GLY 64 -3.227 6.954 2.048 497 2HA GLY 64 2HA GLY 64 -3.090 6.884 3.786 498 H ALA 65 H ALA 65 -3.041 10.080 2.923 499 HA ALA 65 HA ALA 65 -5.704 10.551 3.776 500 1HB ALA 65 1HB ALA 65 -3.788 12.372 2.313 501 2HB ALA 65 2HB ALA 65 -3.919 12.219 4.065 502 3HB ALA 65 3HB ALA 65 -5.256 12.891 3.136 503 H LYS 66 H LYS 66 -4.246 9.750 0.882 504 HA LYS 66 HA LYS 66 -6.662 10.268 -0.636 505 1HB LYS 66 1HB LYS 66 -5.160 9.846 -2.626 506 2HB LYS 66 2HB LYS 66 -4.789 11.294 -1.708 507 1HG LYS 66 1HG LYS 66 -2.999 9.951 -0.536 508 2HG LYS 66 2HG LYS 66 -3.306 8.672 -1.706 509 1HD LYS 66 1HD LYS 66 -2.474 11.493 -2.400 510 2HD LYS 66 2HD LYS 66 -1.377 10.117 -2.314 511 1HE LYS 66 1HE LYS 66 -2.623 9.049 -4.150 512 2HE LYS 66 2HE LYS 66 -3.726 10.415 -4.181 513 1HZ LYS 66 1HZ LYS 66 -2.010 10.588 -5.894 514 2HZ LYS 66 2HZ LYS 66 -0.814 10.597 -4.706 515 3HZ LYS 66 3HZ LYS 66 -1.911 11.857 -4.787 516 H SER 67 H SER 67 -7.438 8.439 -1.960 517 HA SER 67 HA SER 67 -7.473 6.170 -0.276 518 1HB SER 67 1HB SER 67 -9.096 5.409 -1.976 519 2HB SER 67 2HB SER 67 -9.518 6.900 -1.150 520 HG SER 67 HG SER 67 -9.679 7.673 -3.110 521 H LEU 68 H LEU 68 -7.527 4.043 -1.333 522 HA LEU 68 HA LEU 68 -5.078 3.311 -2.483 523 1HB LEU 68 1HB LEU 68 -7.728 1.866 -2.633 524 2HB LEU 68 2HB LEU 68 -6.185 1.160 -3.036 525 HG LEU 68 HG LEU 68 -5.557 1.580 -0.602 526 1HD1 LEU 68 1HD1 LEU 68 -8.504 1.967 -0.293 527 2HD1 LEU 68 2HD1 LEU 68 -7.220 3.123 0.089 528 3HD1 LEU 68 3HD1 LEU 68 -7.374 1.637 1.016 529 1HD2 LEU 68 1HD2 LEU 68 -6.659 -0.480 0.147 530 2HD2 LEU 68 2HD2 LEU 68 -6.008 -0.627 -1.486 531 3HD2 LEU 68 3HD2 LEU 68 -7.737 -0.387 -1.243 532 H LYS 69 H LYS 69 -8.129 4.245 -3.743 533 HA LYS 69 HA LYS 69 -7.798 3.416 -6.439 534 1HB LYS 69 1HB LYS 69 -9.984 3.951 -5.167 535 2HB LYS 69 2HB LYS 69 -9.564 5.626 -5.356 536 1HG LYS 69 1HG LYS 69 -10.048 3.744 -7.665 537 2HG LYS 69 2HG LYS 69 -11.272 4.793 -6.968 538 1HD LYS 69 1HD LYS 69 -9.914 6.745 -7.581 539 2HD LYS 69 2HD LYS 69 -8.701 5.666 -8.270 540 1HE LYS 69 1HE LYS 69 -10.357 4.826 -9.861 541 2HE LYS 69 2HE LYS 69 -11.563 5.917 -9.179 542 1HZ LYS 69 1HZ LYS 69 -10.603 6.836 -11.174 543 2HZ LYS 69 2HZ LYS 69 -9.054 6.714 -10.552 544 3HZ LYS 69 3HZ LYS 69 -10.155 7.790 -9.864 545 H ASP 70 H ASP 70 -7.286 6.387 -4.628 546 HA ASP 70 HA ASP 70 -6.562 7.941 -6.926 547 1HB ASP 70 1HB ASP 70 -7.609 8.685 -4.690 548 2HB ASP 70 2HB ASP 70 -5.974 8.631 -4.078 549 H LEU 71 H LEU 71 -4.921 6.132 -4.483 550 HA LEU 71 HA LEU 71 -2.228 6.938 -5.115 551 1HB LEU 71 1HB LEU 71 -3.318 4.540 -3.672 552 2HB LEU 71 2HB LEU 71 -1.608 4.782 -3.928 553 HG LEU 71 HG LEU 71 -3.382 6.650 -2.302 554 1HD1 LEU 71 1HD1 LEU 71 -1.439 4.529 -1.465 555 2HD1 LEU 71 2HD1 LEU 71 -3.196 4.437 -1.310 556 3HD1 LEU 71 3HD1 LEU 71 -2.286 5.648 -0.401 557 1HD2 LEU 71 1HD2 LEU 71 -0.384 6.424 -2.601 558 2HD2 LEU 71 2HD2 LEU 71 -1.248 7.552 -1.560 559 3HD2 LEU 71 3HD2 LEU 71 -1.369 7.700 -3.312 560 H GLY 72 H GLY 72 -4.427 4.895 -6.694 561 1HA GLY 72 1HA GLY 72 -4.157 3.728 -8.682 562 2HA GLY 72 2HA GLY 72 -2.457 4.171 -8.657 563 H VAL 73 H VAL 73 -3.853 2.636 -5.894 564 HA VAL 73 HA VAL 73 -2.091 0.342 -6.210 565 HB VAL 73 HB VAL 73 -4.143 0.952 -4.040 566 1HG1 VAL 73 1HG1 VAL 73 -2.938 -0.741 -2.721 567 2HG1 VAL 73 2HG1 VAL 73 -1.896 -1.072 -4.104 568 3HG1 VAL 73 3HG1 VAL 73 -3.620 -1.428 -4.194 569 1HG2 VAL 73 1HG2 VAL 73 -2.375 2.637 -4.096 570 2HG2 VAL 73 2HG2 VAL 73 -1.151 1.367 -4.038 571 3HG2 VAL 73 3HG2 VAL 73 -2.225 1.619 -2.663 572 H ARG 74 H ARG 74 -2.809 -1.046 -7.659 573 HA ARG 74 HA ARG 74 -5.628 -1.453 -8.078 574 1HB ARG 74 1HB ARG 74 -3.221 -2.638 -9.410 575 2HB ARG 74 2HB ARG 74 -4.858 -3.097 -9.769 576 1HG ARG 74 1HG ARG 74 -3.776 -0.298 -10.097 577 2HG ARG 74 2HG ARG 74 -3.976 -1.476 -11.402 578 1HD ARG 74 1HD ARG 74 -6.141 -0.222 -9.708 579 2HD ARG 74 2HD ARG 74 -5.887 -0.042 -11.442 580 HE ARG 74 HE ARG 74 -6.214 -2.761 -10.835 581 1HH1 ARG 74 1HH1 ARG 74 -8.142 0.176 -11.225 582 2HH1 ARG 74 2HH1 ARG 74 -9.614 -0.666 -11.387 583 1HH2 ARG 74 1HH2 ARG 74 -8.177 -3.895 -10.986 584 2HH2 ARG 74 2HH2 ARG 74 -9.641 -3.047 -11.264 585 H ASP 75 H ASP 75 -6.163 -3.829 -8.599 586 HA ASP 75 HA ASP 75 -6.052 -5.263 -6.134 587 1HB ASP 75 1HB ASP 75 -7.483 -6.870 -7.276 588 2HB ASP 75 2HB ASP 75 -8.102 -5.237 -7.434 589 H GLY 76 H GLY 76 -5.380 -7.349 -5.990 590 1HA GLY 76 1HA GLY 76 -3.942 -9.169 -6.332 591 2HA GLY 76 2HA GLY 76 -3.688 -8.596 -7.975 592 H TYR 77 H TYR 77 -3.085 -6.104 -5.887 593 HA TYR 77 HA TYR 77 -0.208 -6.285 -6.236 594 1HB TYR 77 1HB TYR 77 -2.051 -4.202 -5.115 595 2HB TYR 77 2HB TYR 77 -0.317 -4.114 -4.853 596 HD1 TYR 77 HD1 TYR 77 -0.379 -1.942 -5.949 597 HD2 TYR 77 HD2 TYR 77 -1.453 -5.471 -8.060 598 HE1 TYR 77 HE1 TYR 77 -0.051 -0.760 -8.058 599 HE2 TYR 77 HE2 TYR 77 -1.134 -4.285 -10.198 600 HH TYR 77 HH TYR 77 0.447 -1.295 -10.340 601 H ARG 78 H ARG 78 1.322 -6.315 -4.620 602 HA ARG 78 HA ARG 78 0.300 -7.401 -2.128 603 1HB ARG 78 1HB ARG 78 3.000 -7.709 -3.434 604 2HB ARG 78 2HB ARG 78 2.651 -8.219 -1.789 605 1HG ARG 78 1HG ARG 78 0.960 -9.754 -2.605 606 2HG ARG 78 2HG ARG 78 1.275 -9.233 -4.263 607 1HD ARG 78 1HD ARG 78 3.562 -10.062 -4.080 608 2HD ARG 78 2HD ARG 78 3.264 -10.528 -2.408 609 HE ARG 78 HE ARG 78 1.419 -11.944 -3.442 610 1HH1 ARG 78 1HH1 ARG 78 4.550 -11.326 -4.960 611 2HH1 ARG 78 2HH1 ARG 78 4.627 -12.789 -5.797 612 1HH2 ARG 78 1HH2 ARG 78 1.472 -13.957 -4.580 613 2HH2 ARG 78 2HH2 ARG 78 2.797 -14.366 -5.575 614 H ILE 79 H ILE 79 0.351 -6.241 -0.479 615 HA ILE 79 HA ILE 79 2.052 -3.870 -0.471 616 HB ILE 79 HB ILE 79 -0.437 -4.455 1.145 617 1HG1 ILE 79 1HG1 ILE 79 -0.996 -3.836 -1.140 618 2HG1 ILE 79 2HG1 ILE 79 -1.358 -2.507 -0.035 619 1HG2 ILE 79 1HG2 ILE 79 -0.239 -2.187 2.039 620 2HG2 ILE 79 2HG2 ILE 79 1.319 -2.012 1.228 621 3HG2 ILE 79 3HG2 ILE 79 1.122 -3.207 2.511 622 1HD1 ILE 79 1HD1 ILE 79 -0.386 -1.691 -2.105 623 2HD1 ILE 79 2HD1 ILE 79 1.043 -2.680 -1.839 624 3HD1 ILE 79 3HD1 ILE 79 0.670 -1.355 -0.730 625 H HIS 80 H HIS 80 3.703 -3.916 0.658 626 HA HIS 80 HA HIS 80 4.077 -6.003 2.638 627 1HB HIS 80 1HB HIS 80 5.710 -6.028 0.901 628 2HB HIS 80 2HB HIS 80 5.967 -4.297 1.037 629 HD1 HIS 80 HD1 HIS 80 6.686 -7.516 2.845 630 HD2 HIS 80 HD2 HIS 80 7.881 -3.553 2.792 631 HE1 HIS 80 HE1 HIS 80 8.534 -7.409 4.482 632 HE2 HIS 80 HE2 HIS 80 9.556 -5.138 3.895 633 H ALA 81 H ALA 81 3.863 -5.454 4.672 634 HA ALA 81 HA ALA 81 4.364 -2.677 5.463 635 1HB ALA 81 1HB ALA 81 2.151 -3.566 6.055 636 2HB ALA 81 2HB ALA 81 3.111 -3.248 7.501 637 3HB ALA 81 3HB ALA 81 2.913 -4.902 6.915 638 H VAL 82 H VAL 82 6.046 -2.239 6.779 639 HA VAL 82 HA VAL 82 7.248 -4.415 8.214 640 HB VAL 82 HB VAL 82 8.319 -4.501 6.076 641 1HG1 VAL 82 1HG1 VAL 82 9.235 -1.732 6.597 642 2HG1 VAL 82 2HG1 VAL 82 8.011 -2.180 5.389 643 3HG1 VAL 82 3HG1 VAL 82 9.699 -2.696 5.195 644 1HG2 VAL 82 1HG2 VAL 82 9.700 -5.050 8.003 645 2HG2 VAL 82 2HG2 VAL 82 10.106 -3.353 8.191 646 3HG2 VAL 82 3HG2 VAL 82 10.682 -4.232 6.780 647 H ASP 83 H ASP 83 8.115 -3.771 10.148 648 HA ASP 83 HA ASP 83 8.238 -0.994 10.634 649 1HB ASP 83 1HB ASP 83 8.589 -1.662 12.880 650 2HB ASP 83 2HB ASP 83 7.191 -2.520 12.256 651 H VAL 84 H VAL 84 10.018 -0.004 10.302 652 HA VAL 84 HA VAL 84 12.317 -1.372 9.324 653 HB VAL 84 HB VAL 84 13.328 0.838 9.088 654 1HG1 VAL 84 1HG1 VAL 84 10.447 0.732 8.191 655 2HG1 VAL 84 2HG1 VAL 84 11.831 0.048 7.337 656 3HG1 VAL 84 3HG1 VAL 84 11.685 1.794 7.522 657 1HG2 VAL 84 1HG2 VAL 84 10.844 1.821 10.457 658 2HG2 VAL 84 2HG2 VAL 84 12.082 2.853 9.715 659 3HG2 VAL 84 3HG2 VAL 84 12.476 1.840 11.117 660 H THR 85 H THR 85 11.290 -0.763 12.405 661 HA THR 85 HA THR 85 13.625 -0.104 13.793 662 HB THR 85 HB THR 85 11.248 -1.710 14.759 663 HG1 THR 85 HG1 THR 85 10.870 0.756 15.402 664 1HG2 THR 85 1HG2 THR 85 13.155 -1.579 16.331 665 2HG2 THR 85 2HG2 THR 85 11.765 -0.673 16.926 666 3HG2 THR 85 3HG2 THR 85 13.131 0.180 16.205 667 H GLY 86 H GLY 86 12.453 -3.082 12.419 668 1HA GLY 86 1HA GLY 86 14.190 -4.696 14.083 669 2HA GLY 86 2HA GLY 86 13.118 -5.290 12.819 670 H GLY 87 H GLY 87 14.635 -2.836 11.386 671 1HA GLY 87 1HA GLY 87 16.497 -2.551 10.052 672 2HA GLY 87 2HA GLY 87 17.263 -3.863 10.935 673 H ASN 88 H ASN 88 14.581 -5.273 9.993 674 HA ASN 88 HA ASN 88 15.845 -6.330 7.602 675 1HB ASN 88 1HB ASN 88 14.362 -8.247 7.864 676 2HB ASN 88 2HB ASN 88 15.325 -7.980 9.306 677 1HD2 ASN 88 1HD2 ASN 88 12.795 -9.335 8.811 678 2HD2 ASN 88 2HD2 ASN 88 11.649 -8.729 9.955 679 H GLU 89 H GLU 89 14.770 -6.535 5.716 680 HA GLU 89 HA GLU 89 13.312 -6.116 4.024 681 1HB GLU 89 1HB GLU 89 11.341 -5.996 6.309 682 2HB GLU 89 2HB GLU 89 10.865 -6.015 4.615 683 1HG GLU 89 1HG GLU 89 12.369 -8.167 6.081 684 2HG GLU 89 2HG GLU 89 10.655 -8.197 5.675 685 H ASP 90 H ASP 90 14.692 -3.934 5.432 686 HA ASP 90 HA ASP 90 12.986 -1.610 5.348 687 1HB ASP 90 1HB ASP 90 14.866 -1.833 6.975 688 2HB ASP 90 2HB ASP 90 16.003 -1.845 5.640 Start of MODEL 8 1 H MET 1 H MET 1 -22.800 1.060 -4.085 2 HA MET 1 HA MET 1 -21.972 -0.750 -5.417 3 1HB MET 1 1HB MET 1 -20.377 0.490 -6.795 4 2HB MET 1 2HB MET 1 -21.653 1.575 -6.257 5 1HG MET 1 1HG MET 1 -20.194 2.515 -4.579 6 2HG MET 1 2HG MET 1 -18.925 1.365 -4.986 7 1HE MET 1 1HE MET 1 -17.177 3.310 -5.204 8 2HE MET 1 2HE MET 1 -18.420 4.477 -4.756 9 3HE MET 1 3HE MET 1 -17.421 4.757 -6.179 10 H THR 2 H THR 2 -20.297 -2.199 -5.887 11 HA THR 2 HA THR 2 -18.402 -2.543 -3.734 12 HB THR 2 HB THR 2 -18.906 -4.267 -6.180 13 HG1 THR 2 HG1 THR 2 -20.090 -4.118 -3.626 14 1HG2 THR 2 1HG2 THR 2 -16.719 -4.640 -5.102 15 2HG2 THR 2 2HG2 THR 2 -17.792 -6.020 -4.864 16 3HG2 THR 2 3HG2 THR 2 -17.526 -4.874 -3.551 17 H GLU 3 H GLU 3 -16.565 -1.453 -3.936 18 HA GLU 3 HA GLU 3 -15.088 -1.564 -6.415 19 1HB GLU 3 1HB GLU 3 -16.389 0.601 -6.489 20 2HB GLU 3 2HB GLU 3 -15.577 1.086 -5.006 21 1HG GLU 3 1HG GLU 3 -13.433 1.042 -6.143 22 2HG GLU 3 2HG GLU 3 -14.207 0.481 -7.615 23 H VAL 4 H VAL 4 -13.646 -2.838 -5.513 24 HA VAL 4 HA VAL 4 -12.029 -1.887 -3.250 25 HB VAL 4 HB VAL 4 -12.042 -4.114 -2.236 26 1HG1 VAL 4 1HG1 VAL 4 -13.687 -2.595 -1.326 27 2HG1 VAL 4 2HG1 VAL 4 -14.354 -4.226 -1.371 28 3HG1 VAL 4 3HG1 VAL 4 -14.830 -3.046 -2.588 29 1HG2 VAL 4 1HG2 VAL 4 -13.613 -5.867 -2.954 30 2HG2 VAL 4 2HG2 VAL 4 -12.449 -5.476 -4.219 31 3HG2 VAL 4 3HG2 VAL 4 -14.099 -4.861 -4.319 32 H TYR 5 H TYR 5 -10.054 -2.931 -3.123 33 HA TYR 5 HA TYR 5 -9.153 -4.366 -5.575 34 1HB TYR 5 1HB TYR 5 -7.470 -2.575 -3.801 35 2HB TYR 5 2HB TYR 5 -6.908 -3.460 -5.207 36 HD1 TYR 5 HD1 TYR 5 -7.856 -0.351 -4.046 37 HD2 TYR 5 HD2 TYR 5 -8.337 -2.887 -7.418 38 HE1 TYR 5 HE1 TYR 5 -8.353 1.601 -5.439 39 HE2 TYR 5 HE2 TYR 5 -8.839 -0.930 -8.821 40 HH TYR 5 HH TYR 5 -9.709 1.357 -8.491 41 H ASP 6 H ASP 6 -8.461 -6.377 -5.214 42 HA ASP 6 HA ASP 6 -8.122 -7.231 -2.495 43 1HB ASP 6 1HB ASP 6 -7.715 -9.469 -3.399 44 2HB ASP 6 2HB ASP 6 -9.187 -8.770 -4.063 45 H LEU 7 H LEU 7 -6.390 -7.307 -1.415 46 HA LEU 7 HA LEU 7 -3.872 -6.877 -2.809 47 1HB LEU 7 1HB LEU 7 -4.851 -5.702 -0.225 48 2HB LEU 7 2HB LEU 7 -3.259 -5.487 -0.914 49 HG LEU 7 HG LEU 7 -5.846 -4.506 -2.140 50 1HD1 LEU 7 1HD1 LEU 7 -5.043 -2.275 -1.597 51 2HD1 LEU 7 2HD1 LEU 7 -3.639 -2.970 -0.793 52 3HD1 LEU 7 3HD1 LEU 7 -5.253 -3.248 -0.141 53 1HD2 LEU 7 1HD2 LEU 7 -4.404 -3.308 -3.711 54 2HD2 LEU 7 2HD2 LEU 7 -4.198 -5.050 -3.839 55 3HD2 LEU 7 3HD2 LEU 7 -2.986 -4.077 -2.999 56 H GLU 8 H GLU 8 -2.116 -7.793 -1.815 57 HA GLU 8 HA GLU 8 -2.668 -9.923 0.167 58 1HB GLU 8 1HB GLU 8 -1.815 -10.711 -1.985 59 2HB GLU 8 2HB GLU 8 -0.464 -9.595 -1.867 60 1HG GLU 8 1HG GLU 8 0.368 -10.831 0.071 61 2HG GLU 8 2HG GLU 8 -0.998 -11.940 -0.062 62 H ILE 9 H ILE 9 -1.950 -9.545 2.083 63 HA ILE 9 HA ILE 9 -0.157 -7.263 2.443 64 HB ILE 9 HB ILE 9 -1.659 -8.826 4.526 65 1HG1 ILE 9 1HG1 ILE 9 -3.279 -7.740 3.060 66 2HG1 ILE 9 2HG1 ILE 9 -3.250 -6.912 4.608 67 1HG2 ILE 9 1HG2 ILE 9 0.261 -7.677 5.449 68 2HG2 ILE 9 2HG2 ILE 9 -1.221 -6.899 5.997 69 3HG2 ILE 9 3HG2 ILE 9 -0.261 -6.160 4.712 70 1HD1 ILE 9 1HD1 ILE 9 -1.856 -5.144 3.608 71 2HD1 ILE 9 2HD1 ILE 9 -3.405 -5.333 2.784 72 3HD1 ILE 9 3HD1 ILE 9 -1.940 -5.995 2.062 73 H THR 10 H THR 10 1.841 -7.506 3.044 74 HA THR 10 HA THR 10 2.700 -10.022 4.270 75 HB THR 10 HB THR 10 4.884 -9.801 3.132 76 HG1 THR 10 HG1 THR 10 4.296 -8.392 1.029 77 1HG2 THR 10 1HG2 THR 10 2.538 -10.055 1.261 78 2HG2 THR 10 2HG2 THR 10 3.253 -11.329 2.267 79 3HG2 THR 10 3HG2 THR 10 4.188 -10.625 0.944 80 H THR 11 H THR 11 4.744 -9.770 5.459 81 HA THR 11 HA THR 11 5.297 -7.131 6.325 82 HB THR 11 HB THR 11 5.620 -8.250 8.506 83 HG1 THR 11 HG1 THR 11 3.740 -10.194 7.779 84 1HG2 THR 11 1HG2 THR 11 3.710 -6.749 8.189 85 2HG2 THR 11 2HG2 THR 11 3.230 -8.102 9.214 86 3HG2 THR 11 3HG2 THR 11 2.766 -8.074 7.511 87 H ASN 12 H ASN 12 7.418 -7.246 7.352 88 HA ASN 12 HA ASN 12 9.275 -8.934 5.919 89 1HB ASN 12 1HB ASN 12 10.961 -7.593 7.128 90 2HB ASN 12 2HB ASN 12 9.790 -6.575 6.286 91 1HD2 ASN 12 1HD2 ASN 12 11.001 -7.575 9.388 92 2HD2 ASN 12 2HD2 ASN 12 10.080 -6.482 10.326 93 H ALA 13 H ALA 13 7.614 -9.025 8.875 94 HA ALA 13 HA ALA 13 9.651 -10.540 10.202 95 1HB ALA 13 1HB ALA 13 8.203 -10.429 12.154 96 2HB ALA 13 2HB ALA 13 6.936 -9.682 11.178 97 3HB ALA 13 3HB ALA 13 8.461 -8.834 11.450 98 H THR 14 H THR 14 6.596 -11.057 8.576 99 HA THR 14 HA THR 14 6.732 -13.865 9.397 100 HB THR 14 HB THR 14 4.340 -12.533 8.255 101 HG1 THR 14 HG1 THR 14 5.268 -12.664 10.977 102 1HG2 THR 14 1HG2 THR 14 4.279 -14.957 8.362 103 2HG2 THR 14 2HG2 THR 14 3.124 -14.309 9.524 104 3HG2 THR 14 3HG2 THR 14 4.680 -14.920 10.078 105 H ASP 15 H ASP 15 6.209 -15.310 7.750 106 HA ASP 15 HA ASP 15 7.038 -14.363 5.072 107 1HB ASP 15 1HB ASP 15 7.246 -17.148 6.252 108 2HB ASP 15 2HB ASP 15 7.715 -16.720 4.618 109 H PHE 16 H PHE 16 4.383 -14.938 6.626 110 HA PHE 16 HA PHE 16 3.041 -16.484 4.546 111 1HB PHE 16 1HB PHE 16 2.812 -17.322 6.853 112 2HB PHE 16 2HB PHE 16 2.132 -15.777 7.343 113 HD1 PHE 16 HD1 PHE 16 1.557 -18.816 5.351 114 HD2 PHE 16 HD2 PHE 16 -0.172 -15.273 6.957 115 HE1 PHE 16 HE1 PHE 16 -0.682 -19.664 4.802 116 HE2 PHE 16 HE2 PHE 16 -2.414 -16.116 6.409 117 HZ PHE 16 HZ PHE 16 -2.668 -18.317 5.329 118 HA PRO 17 HA PRO 17 1.244 -12.487 3.519 119 1HB PRO 17 1HB PRO 17 0.402 -13.265 1.049 120 2HB PRO 17 2HB PRO 17 2.022 -12.670 1.386 121 1HG PRO 17 1HG PRO 17 1.141 -15.374 0.721 122 2HG PRO 17 2HG PRO 17 2.777 -14.700 0.736 123 1HD PRO 17 1HD PRO 17 1.510 -16.386 2.705 124 2HD PRO 17 2HD PRO 17 3.175 -15.770 2.660 125 H MET 18 H MET 18 -0.841 -11.801 3.623 126 HA MET 18 HA MET 18 -2.913 -13.854 3.408 127 1HB MET 18 1HB MET 18 -2.265 -13.553 5.812 128 2HB MET 18 2HB MET 18 -2.783 -11.881 5.697 129 1HG MET 18 1HG MET 18 -5.058 -12.600 5.246 130 2HG MET 18 2HG MET 18 -4.542 -14.285 5.279 131 1HE MET 18 1HE MET 18 -6.594 -14.075 8.581 132 2HE MET 18 2HE MET 18 -6.324 -14.968 7.085 133 3HE MET 18 3HE MET 18 -6.960 -13.325 7.027 134 H GLU 19 H GLU 19 -4.509 -13.211 2.109 135 HA GLU 19 HA GLU 19 -4.343 -10.530 1.120 136 1HB GLU 19 1HB GLU 19 -6.023 -11.197 -0.527 137 2HB GLU 19 2HB GLU 19 -4.657 -12.297 -0.498 138 1HG GLU 19 1HG GLU 19 -5.933 -13.955 0.649 139 2HG GLU 19 2HG GLU 19 -7.264 -12.829 0.905 140 H LYS 20 H LYS 20 -5.804 -8.958 1.168 141 HA LYS 20 HA LYS 20 -8.369 -9.297 2.336 142 1HB LYS 20 1HB LYS 20 -6.179 -7.578 3.389 143 2HB LYS 20 2HB LYS 20 -7.844 -7.078 3.505 144 1HG LYS 20 1HG LYS 20 -6.744 -9.647 4.671 145 2HG LYS 20 2HG LYS 20 -6.968 -8.156 5.595 146 1HD LYS 20 1HD LYS 20 -9.378 -8.214 5.071 147 2HD LYS 20 2HD LYS 20 -9.141 -9.718 4.184 148 1HE LYS 20 1HE LYS 20 -8.610 -9.304 7.125 149 2HE LYS 20 2HE LYS 20 -10.023 -10.100 6.441 150 1HZ LYS 20 1HZ LYS 20 -8.383 -11.685 7.177 151 2HZ LYS 20 2HZ LYS 20 -7.215 -10.996 6.189 152 3HZ LYS 20 3HZ LYS 20 -8.553 -11.781 5.491 153 H LYS 21 H LYS 21 -9.734 -8.122 1.045 154 HA LYS 21 HA LYS 21 -8.522 -6.311 -0.728 155 1HB LYS 21 1HB LYS 21 -10.878 -6.353 -1.525 156 2HB LYS 21 2HB LYS 21 -9.896 -7.773 -1.952 157 1HG LYS 21 1HG LYS 21 -11.097 -8.827 0.051 158 2HG LYS 21 2HG LYS 21 -12.151 -7.405 0.010 159 1HD LYS 21 1HD LYS 21 -12.801 -7.896 -2.259 160 2HD LYS 21 2HD LYS 21 -11.662 -9.236 -2.336 161 1HE LYS 21 1HE LYS 21 -12.897 -10.362 -0.557 162 2HE LYS 21 2HE LYS 21 -14.063 -9.041 -0.525 163 1HZ LYS 21 1HZ LYS 21 -13.514 -10.816 -2.839 164 2HZ LYS 21 2HZ LYS 21 -14.628 -9.570 -2.828 165 3HZ LYS 21 3HZ LYS 21 -14.857 -10.907 -1.827 166 H TYR 22 H TYR 22 -8.976 -4.236 -0.759 167 HA TYR 22 HA TYR 22 -10.615 -3.230 1.434 168 1HB TYR 22 1HB TYR 22 -7.922 -2.189 0.521 169 2HB TYR 22 2HB TYR 22 -8.980 -1.330 1.631 170 HD1 TYR 22 HD1 TYR 22 -6.506 -3.937 1.277 171 HD2 TYR 22 HD2 TYR 22 -9.473 -2.341 3.860 172 HE1 TYR 22 HE1 TYR 22 -5.498 -5.146 3.169 173 HE2 TYR 22 HE2 TYR 22 -8.474 -3.540 5.760 174 HH TYR 22 HH TYR 22 -5.411 -4.977 5.634 175 HA PRO 23 HA PRO 23 -12.737 -0.945 -1.661 176 1HB PRO 23 1HB PRO 23 -12.752 1.354 0.187 177 2HB PRO 23 2HB PRO 23 -14.113 0.484 -0.526 178 1HG PRO 23 1HG PRO 23 -13.503 0.213 2.055 179 2HG PRO 23 2HG PRO 23 -14.084 -1.150 1.083 180 1HD PRO 23 1HD PRO 23 -11.308 -0.511 1.980 181 2HD PRO 23 2HD PRO 23 -12.140 -2.078 1.865 182 H ALA 24 H ALA 24 -12.314 0.365 -3.271 183 HA ALA 24 HA ALA 24 -9.782 1.395 -3.754 184 1HB ALA 24 1HB ALA 24 -11.446 0.875 -5.479 185 2HB ALA 24 2HB ALA 24 -10.744 2.476 -5.693 186 3HB ALA 24 3HB ALA 24 -12.357 2.307 -5.000 187 H GLY 25 H GLY 25 -12.428 2.831 -2.230 188 1HA GLY 25 1HA GLY 25 -11.237 5.503 -2.266 189 2HA GLY 25 2HA GLY 25 -12.840 5.114 -1.663 190 H MET 26 H MET 26 -10.638 2.906 -0.459 191 HA MET 26 HA MET 26 -10.767 4.110 2.134 192 1HB MET 26 1HB MET 26 -11.005 1.729 1.846 193 2HB MET 26 2HB MET 26 -9.381 1.590 1.176 194 1HG MET 26 1HG MET 26 -9.192 0.795 3.362 195 2HG MET 26 2HG MET 26 -8.631 2.452 3.488 196 1HE MET 26 1HE MET 26 -11.447 4.251 3.803 197 2HE MET 26 2HE MET 26 -9.979 4.385 4.763 198 3HE MET 26 3HE MET 26 -11.529 4.157 5.559 199 H SER 27 H SER 27 -9.014 4.830 3.312 200 HA SER 27 HA SER 27 -6.807 5.928 1.780 201 1HB SER 27 1HB SER 27 -6.273 7.003 3.916 202 2HB SER 27 2HB SER 27 -7.912 7.360 3.389 203 HG SER 27 HG SER 27 -8.065 6.839 5.478 204 H LEU 28 H LEU 28 -4.698 5.602 2.249 205 HA LEU 28 HA LEU 28 -3.958 2.963 2.906 206 1HB LEU 28 1HB LEU 28 -2.840 4.805 1.476 207 2HB LEU 28 2HB LEU 28 -2.183 5.373 2.961 208 HG LEU 28 HG LEU 28 -0.557 3.993 1.634 209 1HD1 LEU 28 1HD1 LEU 28 0.289 2.668 3.468 210 2HD1 LEU 28 2HD1 LEU 28 -1.246 2.857 4.315 211 3HD1 LEU 28 3HD1 LEU 28 -0.226 4.265 4.016 212 1HD2 LEU 28 1HD2 LEU 28 -2.129 2.368 0.735 213 2HD2 LEU 28 2HD2 LEU 28 -2.388 1.710 2.355 214 3HD2 LEU 28 3HD2 LEU 28 -0.806 1.578 1.590 215 H ASN 29 H ASN 29 -4.335 5.896 4.642 216 HA ASN 29 HA ASN 29 -2.903 5.243 7.043 217 1HB ASN 29 1HB ASN 29 -5.210 7.159 6.690 218 2HB ASN 29 2HB ASN 29 -4.404 6.908 8.229 219 1HD2 ASN 29 1HD2 ASN 29 -4.637 9.334 6.661 220 2HD2 ASN 29 2HD2 ASN 29 -3.022 9.830 6.344 221 H ASP 30 H ASP 30 -6.285 4.680 6.177 222 HA ASP 30 HA ASP 30 -6.991 3.582 8.715 223 1HB ASP 30 1HB ASP 30 -8.603 4.412 6.976 224 2HB ASP 30 2HB ASP 30 -8.232 2.987 6.032 225 H LEU 31 H LEU 31 -5.825 2.335 5.708 226 HA LEU 31 HA LEU 31 -6.031 -0.444 6.282 227 1HB LEU 31 1HB LEU 31 -5.689 0.797 4.018 228 2HB LEU 31 2HB LEU 31 -4.010 0.871 4.450 229 HG LEU 31 HG LEU 31 -5.554 -1.698 3.988 230 1HD1 LEU 31 1HD1 LEU 31 -3.599 -0.258 2.214 231 2HD1 LEU 31 2HD1 LEU 31 -5.333 -0.432 1.947 232 3HD1 LEU 31 3HD1 LEU 31 -4.286 -1.853 1.912 233 1HD2 LEU 31 1HD2 LEU 31 -2.588 -1.236 4.314 234 2HD2 LEU 31 2HD2 LEU 31 -3.362 -2.779 3.941 235 3HD2 LEU 31 3HD2 LEU 31 -3.650 -1.999 5.496 236 H LYS 32 H LYS 32 -3.509 1.949 6.568 237 HA LYS 32 HA LYS 32 -1.416 0.475 7.753 238 1HB LYS 32 1HB LYS 32 -2.242 3.316 7.706 239 2HB LYS 32 2HB LYS 32 -1.097 2.830 8.936 240 1HG LYS 32 1HG LYS 32 -0.479 1.916 6.236 241 2HG LYS 32 2HG LYS 32 -0.475 3.669 6.453 242 1HD LYS 32 1HD LYS 32 1.771 2.694 6.901 243 2HD LYS 32 2HD LYS 32 1.070 3.434 8.337 244 1HE LYS 32 1HE LYS 32 0.325 1.189 9.079 245 2HE LYS 32 2HE LYS 32 1.152 0.490 7.693 246 1HZ LYS 32 1HZ LYS 32 2.439 2.057 9.850 247 2HZ LYS 32 2HZ LYS 32 3.276 1.300 8.608 248 3HZ LYS 32 3HZ LYS 32 2.373 0.397 9.760 249 H LYS 33 H LYS 33 -4.007 2.324 9.416 250 HA LYS 33 HA LYS 33 -3.014 1.587 11.932 251 1HB LYS 33 1HB LYS 33 -4.634 3.493 11.197 252 2HB LYS 33 2HB LYS 33 -5.874 2.269 11.363 253 1HG LYS 33 1HG LYS 33 -5.710 3.591 13.388 254 2HG LYS 33 2HG LYS 33 -5.237 1.914 13.696 255 1HD LYS 33 1HD LYS 33 -3.748 3.514 14.774 256 2HD LYS 33 2HD LYS 33 -2.865 2.547 13.609 257 1HE LYS 33 1HE LYS 33 -2.160 4.858 13.422 258 2HE LYS 33 2HE LYS 33 -3.073 4.457 11.983 259 1HZ LYS 33 1HZ LYS 33 -5.020 5.562 13.022 260 2HZ LYS 33 2HZ LYS 33 -3.725 6.584 12.783 261 3HZ LYS 33 3HZ LYS 33 -4.044 6.012 14.325 262 H LYS 34 H LYS 34 -5.297 0.046 9.693 263 HA LYS 34 HA LYS 34 -6.245 -2.007 11.368 264 1HB LYS 34 1HB LYS 34 -6.931 -1.348 8.983 265 2HB LYS 34 2HB LYS 34 -5.504 -2.207 8.455 266 1HG LYS 34 1HG LYS 34 -7.134 -3.795 8.185 267 2HG LYS 34 2HG LYS 34 -6.518 -4.187 9.790 268 1HD LYS 34 1HD LYS 34 -8.931 -2.505 9.200 269 2HD LYS 34 2HD LYS 34 -8.971 -4.218 9.674 270 1HE LYS 34 1HE LYS 34 -7.969 -3.515 11.868 271 2HE LYS 34 2HE LYS 34 -8.058 -1.848 11.287 272 1HZ LYS 34 1HZ LYS 34 -10.405 -2.011 11.119 273 2HZ LYS 34 2HZ LYS 34 -9.918 -2.361 12.687 274 3HZ LYS 34 3HZ LYS 34 -10.396 -3.613 11.661 275 H LEU 35 H LEU 35 -3.401 -1.722 9.269 276 HA LEU 35 HA LEU 35 -2.279 -4.215 9.795 277 1HB LEU 35 1HB LEU 35 -1.245 -1.592 8.888 278 2HB LEU 35 2HB LEU 35 -0.149 -2.911 8.953 279 HG LEU 35 HG LEU 35 -2.546 -2.515 7.195 280 1HD1 LEU 35 1HD1 LEU 35 0.363 -2.989 6.605 281 2HD1 LEU 35 2HD1 LEU 35 -0.501 -1.457 6.473 282 3HD1 LEU 35 3HD1 LEU 35 -0.910 -2.798 5.403 283 1HD2 LEU 35 1HD2 LEU 35 -0.934 -5.047 7.504 284 2HD2 LEU 35 2HD2 LEU 35 -2.100 -4.732 6.226 285 3HD2 LEU 35 3HD2 LEU 35 -2.645 -4.837 7.899 286 H GLU 36 H GLU 36 -1.742 -1.045 11.243 287 HA GLU 36 HA GLU 36 0.251 -1.805 13.005 288 1HB GLU 36 1HB GLU 36 -1.738 0.376 12.979 289 2HB GLU 36 2HB GLU 36 -0.457 0.383 14.132 290 1HG GLU 36 1HG GLU 36 -0.350 0.557 11.167 291 2HG GLU 36 2HG GLU 36 0.225 1.793 12.311 292 H LEU 37 H LEU 37 -3.195 -1.885 13.231 293 HA LEU 37 HA LEU 37 -3.399 -2.478 15.982 294 1HB LEU 37 1HB LEU 37 -5.321 -1.822 14.533 295 2HB LEU 37 2HB LEU 37 -5.169 -3.340 13.703 296 HG LEU 37 HG LEU 37 -5.820 -4.567 15.703 297 1HD1 LEU 37 1HD1 LEU 37 -6.641 -3.384 17.675 298 2HD1 LEU 37 2HD1 LEU 37 -6.134 -1.849 16.972 299 3HD1 LEU 37 3HD1 LEU 37 -4.929 -3.063 17.405 300 1HD2 LEU 37 1HD2 LEU 37 -7.683 -2.313 14.987 301 2HD2 LEU 37 2HD2 LEU 37 -8.145 -3.801 15.805 302 3HD2 LEU 37 3HD2 LEU 37 -7.540 -3.857 14.148 303 H VAL 38 H VAL 38 -2.758 -4.411 13.163 304 HA VAL 38 HA VAL 38 -2.899 -6.931 14.568 305 HB VAL 38 HB VAL 38 -2.044 -6.298 11.721 306 1HG1 VAL 38 1HG1 VAL 38 -2.306 -8.685 11.278 307 2HG1 VAL 38 2HG1 VAL 38 -2.647 -8.966 12.983 308 3HG1 VAL 38 3HG1 VAL 38 -1.053 -8.394 12.487 309 1HG2 VAL 38 1HG2 VAL 38 -4.237 -7.199 11.097 310 2HG2 VAL 38 2HG2 VAL 38 -4.383 -5.783 12.137 311 3HG2 VAL 38 3HG2 VAL 38 -4.636 -7.398 12.803 312 H VAL 39 H VAL 39 -0.382 -4.807 13.289 313 HA VAL 39 HA VAL 39 1.760 -6.628 14.116 314 HB VAL 39 HB VAL 39 2.025 -3.846 12.936 315 1HG1 VAL 39 1HG1 VAL 39 4.039 -4.653 14.057 316 2HG1 VAL 39 2HG1 VAL 39 4.282 -4.572 12.314 317 3HG1 VAL 39 3HG1 VAL 39 3.993 -6.128 13.093 318 1HG2 VAL 39 1HG2 VAL 39 2.411 -4.947 10.771 319 2HG2 VAL 39 2HG2 VAL 39 0.792 -5.262 11.386 320 3HG2 VAL 39 3HG2 VAL 39 2.036 -6.507 11.507 321 H GLY 40 H GLY 40 0.205 -3.823 15.380 322 1HA GLY 40 1HA GLY 40 0.296 -3.084 17.541 323 2HA GLY 40 2HA GLY 40 1.518 -4.301 17.885 324 H THR 41 H THR 41 2.235 -2.433 15.167 325 HA THR 41 HA THR 41 4.285 -1.029 16.727 326 HB THR 41 HB THR 41 4.056 -1.361 13.708 327 HG1 THR 41 HG1 THR 41 5.475 -3.111 14.051 328 1HG2 THR 41 1HG2 THR 41 6.433 -0.718 15.489 329 2HG2 THR 41 2HG2 THR 41 5.679 0.381 14.315 330 3HG2 THR 41 3HG2 THR 41 6.525 -1.050 13.765 331 H THR 42 H THR 42 4.837 1.277 15.428 332 HA THR 42 HA THR 42 2.330 2.721 15.257 333 HB THR 42 HB THR 42 3.819 4.731 15.648 334 HG1 THR 42 HG1 THR 42 5.872 4.324 16.436 335 1HG2 THR 42 1HG2 THR 42 4.068 4.345 18.063 336 2HG2 THR 42 2HG2 THR 42 3.834 2.616 17.812 337 3HG2 THR 42 3HG2 THR 42 2.515 3.740 17.485 338 H VAL 43 H VAL 43 2.357 4.500 13.668 339 HA VAL 43 HA VAL 43 2.756 3.408 11.137 340 HB VAL 43 HB VAL 43 2.144 6.284 11.886 341 1HG1 VAL 43 1HG1 VAL 43 1.304 6.552 9.585 342 2HG1 VAL 43 2HG1 VAL 43 1.938 4.952 9.182 343 3HG1 VAL 43 3HG1 VAL 43 3.037 6.246 9.634 344 1HG2 VAL 43 1HG2 VAL 43 0.464 4.691 12.640 345 2HG2 VAL 43 2HG2 VAL 43 0.347 4.024 11.013 346 3HG2 VAL 43 3HG2 VAL 43 -0.166 5.681 11.325 347 H ASP 44 H ASP 44 4.796 5.743 12.853 348 HA ASP 44 HA ASP 44 6.384 6.266 10.534 349 1HB ASP 44 1HB ASP 44 6.314 7.887 12.399 350 2HB ASP 44 2HB ASP 44 7.126 6.702 13.418 351 H SER 45 H SER 45 6.533 3.846 13.085 352 HA SER 45 HA SER 45 9.149 3.053 12.416 353 1HB SER 45 1HB SER 45 7.040 2.023 14.269 354 2HB SER 45 2HB SER 45 8.705 1.454 14.179 355 HG SER 45 HG SER 45 9.278 3.710 14.558 356 H MET 46 H MET 46 6.198 2.498 11.064 357 HA MET 46 HA MET 46 7.128 -0.074 9.911 358 1HB MET 46 1HB MET 46 5.153 -0.101 11.659 359 2HB MET 46 2HB MET 46 4.236 0.518 10.324 360 1HG MET 46 1HG MET 46 3.930 -1.868 10.401 361 2HG MET 46 2HG MET 46 4.829 -1.427 8.949 362 1HE MET 46 1HE MET 46 6.340 -4.941 9.996 363 2HE MET 46 2HE MET 46 5.575 -4.040 8.697 364 3HE MET 46 3HE MET 46 4.664 -4.416 10.161 365 H ARG 47 H ARG 47 7.439 0.299 7.825 366 HA ARG 47 HA ARG 47 5.963 2.521 6.558 367 1HB ARG 47 1HB ARG 47 8.486 2.672 6.823 368 2HB ARG 47 2HB ARG 47 8.606 1.384 5.641 369 1HG ARG 47 1HG ARG 47 7.627 2.772 3.943 370 2HG ARG 47 2HG ARG 47 7.286 4.040 5.122 371 1HD ARG 47 1HD ARG 47 9.268 4.660 3.924 372 2HD ARG 47 2HD ARG 47 9.730 4.209 5.558 373 HE ARG 47 HE ARG 47 10.023 2.478 3.204 374 1HH1 ARG 47 1HH1 ARG 47 11.288 3.676 6.318 375 2HH1 ARG 47 2HH1 ARG 47 12.743 2.801 6.169 376 1HH2 ARG 47 1HH2 ARG 47 12.026 1.292 3.086 377 2HH2 ARG 47 2HH2 ARG 47 13.151 1.400 4.358 378 H ILE 48 H ILE 48 5.058 2.300 4.447 379 HA ILE 48 HA ILE 48 4.425 -0.496 3.855 380 HB ILE 48 HB ILE 48 2.894 2.035 3.266 381 1HG1 ILE 48 1HG1 ILE 48 2.780 1.334 5.589 382 2HG1 ILE 48 2HG1 ILE 48 1.224 1.088 4.803 383 1HG2 ILE 48 1HG2 ILE 48 1.110 0.595 2.391 384 2HG2 ILE 48 2HG2 ILE 48 2.178 -0.800 2.574 385 3HG2 ILE 48 3HG2 ILE 48 2.590 0.477 1.431 386 1HD1 ILE 48 1HD1 ILE 48 1.768 -1.306 4.569 387 2HD1 ILE 48 2HD1 ILE 48 1.723 -0.770 6.239 388 3HD1 ILE 48 3HD1 ILE 48 3.273 -1.029 5.449 389 H GLN 49 H GLN 49 5.157 -1.400 2.118 390 HA GLN 49 HA GLN 49 5.831 0.262 -0.172 391 1HB GLN 49 1HB GLN 49 7.107 -2.323 0.696 392 2HB GLN 49 2HB GLN 49 7.428 -1.530 -0.841 393 1HG GLN 49 1HG GLN 49 8.211 0.443 0.344 394 2HG GLN 49 2HG GLN 49 7.917 -0.377 1.876 395 1HE2 GLN 49 1HE2 GLN 49 10.357 0.715 0.797 396 2HE2 GLN 49 2HE2 GLN 49 11.488 -0.601 0.679 397 H LEU 50 H LEU 50 5.178 -0.452 -2.175 398 HA LEU 50 HA LEU 50 3.093 -2.538 -2.099 399 1HB LEU 50 1HB LEU 50 2.320 -0.186 -2.449 400 2HB LEU 50 2HB LEU 50 3.278 -0.105 -3.906 401 HG LEU 50 HG LEU 50 0.770 -1.827 -3.502 402 1HD1 LEU 50 1HD1 LEU 50 -0.268 -0.292 -5.000 403 2HD1 LEU 50 2HD1 LEU 50 1.211 0.664 -5.078 404 3HD1 LEU 50 3HD1 LEU 50 0.329 0.526 -3.557 405 1HD2 LEU 50 1HD2 LEU 50 0.882 -2.276 -5.844 406 2HD2 LEU 50 2HD2 LEU 50 2.408 -2.796 -5.125 407 3HD2 LEU 50 3HD2 LEU 50 2.318 -1.277 -6.021 408 H PHE 51 H PHE 51 3.483 -4.238 -3.297 409 HA PHE 51 HA PHE 51 5.394 -4.008 -5.515 410 1HB PHE 51 1HB PHE 51 4.667 -6.434 -3.850 411 2HB PHE 51 2HB PHE 51 5.704 -6.446 -5.267 412 HD1 PHE 51 HD1 PHE 51 5.435 -5.419 -1.743 413 HD2 PHE 51 HD2 PHE 51 7.986 -5.725 -5.132 414 HE1 PHE 51 HE1 PHE 51 7.395 -5.024 -0.307 415 HE2 PHE 51 HE2 PHE 51 9.943 -5.328 -3.699 416 HZ PHE 51 HZ PHE 51 9.650 -4.978 -1.287 417 H ASP 52 H ASP 52 4.634 -4.633 -7.549 418 HA ASP 52 HA ASP 52 1.823 -5.118 -7.703 419 1HB ASP 52 1HB ASP 52 2.240 -4.905 -10.137 420 2HB ASP 52 2HB ASP 52 2.675 -3.483 -9.226 421 H GLY 53 H GLY 53 1.932 -6.582 -10.146 422 1HA GLY 53 1HA GLY 53 1.954 -9.211 -8.970 423 2HA GLY 53 2HA GLY 53 1.462 -8.797 -10.603 424 H ASP 54 H ASP 54 4.453 -8.484 -8.793 425 HA ASP 54 HA ASP 54 5.849 -10.499 -10.253 426 1HB ASP 54 1HB ASP 54 5.772 -8.457 -11.852 427 2HB ASP 54 2HB ASP 54 6.803 -7.657 -10.670 428 H ASP 55 H ASP 55 8.472 -9.735 -9.634 429 HA ASP 55 HA ASP 55 8.314 -9.829 -6.808 430 1HB ASP 55 1HB ASP 55 9.759 -11.423 -7.976 431 2HB ASP 55 2HB ASP 55 10.704 -10.093 -8.628 432 H GLN 56 H GLN 56 9.155 -7.743 -9.352 433 HA GLN 56 HA GLN 56 10.916 -5.908 -8.132 434 1HB GLN 56 1HB GLN 56 8.903 -5.378 -10.296 435 2HB GLN 56 2HB GLN 56 10.306 -4.396 -9.928 436 1HG GLN 56 1HG GLN 56 11.780 -6.187 -10.613 437 2HG GLN 56 2HG GLN 56 10.394 -7.237 -10.911 438 1HE2 GLN 56 1HE2 GLN 56 9.064 -6.810 -12.637 439 2HE2 GLN 56 2HE2 GLN 56 9.539 -5.841 -13.977 440 H LEU 57 H LEU 57 10.493 -3.780 -7.405 441 HA LEU 57 HA LEU 57 8.134 -3.538 -5.731 442 1HB LEU 57 1HB LEU 57 10.370 -2.921 -4.893 443 2HB LEU 57 2HB LEU 57 10.519 -1.725 -6.157 444 HG LEU 57 HG LEU 57 8.632 -0.464 -5.136 445 1HD1 LEU 57 1HD1 LEU 57 7.501 -2.282 -4.005 446 2HD1 LEU 57 2HD1 LEU 57 7.928 -1.001 -2.873 447 3HD1 LEU 57 3HD1 LEU 57 8.882 -2.486 -2.924 448 1HD2 LEU 57 1HD2 LEU 57 9.898 0.382 -3.223 449 2HD2 LEU 57 2HD2 LEU 57 10.930 0.140 -4.631 450 3HD2 LEU 57 3HD2 LEU 57 10.960 -1.025 -3.305 451 H LYS 58 H LYS 58 6.430 -2.228 -6.109 452 HA LYS 58 HA LYS 58 6.208 -0.975 -8.743 453 1HB LYS 58 1HB LYS 58 4.396 -2.285 -7.351 454 2HB LYS 58 2HB LYS 58 4.257 -0.780 -6.474 455 1HG LYS 58 1HG LYS 58 3.809 -1.064 -9.445 456 2HG LYS 58 2HG LYS 58 2.538 -1.079 -8.240 457 1HD LYS 58 1HD LYS 58 3.071 1.221 -7.635 458 2HD LYS 58 2HD LYS 58 4.422 1.224 -8.773 459 1HE LYS 58 1HE LYS 58 2.901 0.826 -10.616 460 2HE LYS 58 2HE LYS 58 1.567 0.724 -9.474 461 1HZ LYS 58 1HZ LYS 58 1.659 2.868 -10.616 462 2HZ LYS 58 2HZ LYS 58 3.195 3.162 -10.032 463 3HZ LYS 58 3HZ LYS 58 1.891 3.106 -8.969 464 H GLY 59 H GLY 59 6.256 -0.169 -5.325 465 1HA GLY 59 1HA GLY 59 7.858 2.027 -5.452 466 2HA GLY 59 2HA GLY 59 6.230 2.649 -5.726 467 H GLU 60 H GLU 60 7.288 3.654 -3.552 468 HA GLU 60 HA GLU 60 6.217 2.038 -1.394 469 1HB GLU 60 1HB GLU 60 8.670 2.446 -1.279 470 2HB GLU 60 2HB GLU 60 8.358 4.170 -1.326 471 1HG GLU 60 1HG GLU 60 7.201 4.052 0.779 472 2HG GLU 60 2HG GLU 60 7.419 2.304 0.835 473 H LEU 61 H LEU 61 4.656 3.016 -0.228 474 HA LEU 61 HA LEU 61 3.888 5.636 -1.226 475 1HB LEU 61 1HB LEU 61 1.496 5.065 -1.012 476 2HB LEU 61 2HB LEU 61 2.333 4.202 -2.272 477 HG LEU 61 HG LEU 61 1.460 3.033 0.389 478 1HD1 LEU 61 1HD1 LEU 61 0.366 2.686 -2.381 479 2HD1 LEU 61 2HD1 LEU 61 -0.371 3.582 -1.054 480 3HD1 LEU 61 3HD1 LEU 61 -0.176 1.834 -0.930 481 1HD2 LEU 61 1HD2 LEU 61 2.675 1.731 -2.035 482 2HD2 LEU 61 2HD2 LEU 61 1.982 0.873 -0.658 483 3HD2 LEU 61 3HD2 LEU 61 3.427 1.855 -0.443 484 H THR 62 H THR 62 2.166 4.238 1.065 485 HA THR 62 HA THR 62 1.824 4.478 3.261 486 HB THR 62 HB THR 62 4.377 4.387 3.597 487 HG1 THR 62 HG1 THR 62 3.777 5.960 5.673 488 1HG2 THR 62 1HG2 THR 62 4.107 7.396 3.942 489 2HG2 THR 62 2HG2 THR 62 4.993 6.561 2.657 490 3HG2 THR 62 3HG2 THR 62 5.547 6.431 4.317 491 H ASP 63 H ASP 63 1.483 6.739 1.097 492 HA ASP 63 HA ASP 63 0.657 8.992 2.725 493 1HB ASP 63 1HB ASP 63 -0.083 8.461 -0.135 494 2HB ASP 63 2HB ASP 63 -0.080 9.986 0.665 495 H GLY 64 H GLY 64 -1.217 8.891 3.796 496 1HA GLY 64 1HA GLY 64 -3.341 7.254 2.590 497 2HA GLY 64 2HA GLY 64 -3.211 7.421 4.319 498 H ALA 65 H ALA 65 -2.569 10.299 2.686 499 HA ALA 65 HA ALA 65 -5.075 11.452 3.522 500 1HB ALA 65 1HB ALA 65 -4.176 13.540 2.570 501 2HB ALA 65 2HB ALA 65 -2.838 12.638 1.859 502 3HB ALA 65 3HB ALA 65 -2.989 12.758 3.614 503 H LYS 66 H LYS 66 -4.079 9.673 0.971 504 HA LYS 66 HA LYS 66 -6.234 10.551 -0.788 505 1HB LYS 66 1HB LYS 66 -4.657 9.775 -2.640 506 2HB LYS 66 2HB LYS 66 -4.229 11.280 -1.836 507 1HG LYS 66 1HG LYS 66 -2.679 9.951 -0.377 508 2HG LYS 66 2HG LYS 66 -2.991 8.563 -1.404 509 1HD LYS 66 1HD LYS 66 -1.814 11.198 -2.303 510 2HD LYS 66 2HD LYS 66 -0.892 9.735 -1.980 511 1HE LYS 66 1HE LYS 66 -2.116 8.602 -3.792 512 2HE LYS 66 2HE LYS 66 -3.004 10.086 -4.103 513 1HZ LYS 66 1HZ LYS 66 -0.064 9.760 -4.353 514 2HZ LYS 66 2HZ LYS 66 -0.895 11.181 -4.610 515 3HZ LYS 66 3HZ LYS 66 -1.155 9.861 -5.632 516 H SER 67 H SER 67 -7.063 8.648 -2.179 517 HA SER 67 HA SER 67 -7.305 6.407 -0.431 518 1HB SER 67 1HB SER 67 -8.949 5.701 -2.127 519 2HB SER 67 2HB SER 67 -9.312 7.242 -1.361 520 HG SER 67 HG SER 67 -9.568 7.339 -3.665 521 H LEU 68 H LEU 68 -7.431 4.326 -1.501 522 HA LEU 68 HA LEU 68 -4.933 3.506 -2.515 523 1HB LEU 68 1HB LEU 68 -7.594 2.122 -2.729 524 2HB LEU 68 2HB LEU 68 -6.053 1.367 -3.052 525 HG LEU 68 HG LEU 68 -7.038 2.382 -0.382 526 1HD1 LEU 68 1HD1 LEU 68 -6.998 0.023 0.246 527 2HD1 LEU 68 2HD1 LEU 68 -6.531 -0.403 -1.402 528 3HD1 LEU 68 3HD1 LEU 68 -8.106 0.328 -1.092 529 1HD2 LEU 68 1HD2 LEU 68 -4.995 1.391 0.546 530 2HD2 LEU 68 2HD2 LEU 68 -4.622 2.704 -0.564 531 3HD2 LEU 68 3HD2 LEU 68 -4.428 1.028 -1.083 532 H LYS 69 H LYS 69 -7.827 4.499 -4.075 533 HA LYS 69 HA LYS 69 -7.077 3.533 -6.669 534 1HB LYS 69 1HB LYS 69 -9.410 3.758 -6.075 535 2HB LYS 69 2HB LYS 69 -9.212 5.489 -5.855 536 1HG LYS 69 1HG LYS 69 -8.884 5.834 -8.177 537 2HG LYS 69 2HG LYS 69 -8.752 4.100 -8.478 538 1HD LYS 69 1HD LYS 69 -10.930 4.914 -9.154 539 2HD LYS 69 2HD LYS 69 -11.038 3.806 -7.771 540 1HE LYS 69 1HE LYS 69 -11.308 5.709 -6.272 541 2HE LYS 69 2HE LYS 69 -11.178 6.814 -7.642 542 1HZ LYS 69 1HZ LYS 69 -13.322 4.780 -7.256 543 2HZ LYS 69 2HZ LYS 69 -13.180 5.860 -8.566 544 3HZ LYS 69 3HZ LYS 69 -13.457 6.445 -7.019 545 H ASP 70 H ASP 70 -7.083 6.595 -5.084 546 HA ASP 70 HA ASP 70 -5.928 8.095 -7.231 547 1HB ASP 70 1HB ASP 70 -7.105 8.988 -5.159 548 2HB ASP 70 2HB ASP 70 -5.608 8.695 -4.307 549 H LEU 71 H LEU 71 -4.675 6.201 -4.669 550 HA LEU 71 HA LEU 71 -1.880 6.824 -4.937 551 1HB LEU 71 1HB LEU 71 -3.375 4.597 -3.610 552 2HB LEU 71 2HB LEU 71 -1.630 4.577 -3.703 553 HG LEU 71 HG LEU 71 -3.117 6.875 -2.400 554 1HD1 LEU 71 1HD1 LEU 71 -2.105 4.323 -1.149 555 2HD1 LEU 71 2HD1 LEU 71 -3.790 4.843 -1.267 556 3HD1 LEU 71 3HD1 LEU 71 -2.645 5.770 -0.301 557 1HD2 LEU 71 1HD2 LEU 71 -0.984 7.175 -1.311 558 2HD2 LEU 71 2HD2 LEU 71 -0.758 7.213 -3.062 559 3HD2 LEU 71 3HD2 LEU 71 -0.324 5.775 -2.145 560 H GLY 72 H GLY 72 -3.924 4.961 -6.893 561 1HA GLY 72 1HA GLY 72 -3.333 3.900 -8.884 562 2HA GLY 72 2HA GLY 72 -1.646 4.135 -8.463 563 H VAL 73 H VAL 73 -3.571 2.742 -6.042 564 HA VAL 73 HA VAL 73 -2.135 0.251 -6.149 565 HB VAL 73 HB VAL 73 -4.510 1.066 -4.448 566 1HG1 VAL 73 1HG1 VAL 73 -3.765 -0.707 -2.925 567 2HG1 VAL 73 2HG1 VAL 73 -2.496 -1.142 -4.070 568 3HG1 VAL 73 3HG1 VAL 73 -4.193 -1.329 -4.519 569 1HG2 VAL 73 1HG2 VAL 73 -2.664 2.597 -4.094 570 2HG2 VAL 73 2HG2 VAL 73 -1.570 1.246 -3.817 571 3HG2 VAL 73 3HG2 VAL 73 -2.878 1.567 -2.679 572 H ARG 74 H ARG 74 -2.772 -1.342 -7.441 573 HA ARG 74 HA ARG 74 -5.566 -1.401 -8.350 574 1HB ARG 74 1HB ARG 74 -3.135 -2.722 -9.542 575 2HB ARG 74 2HB ARG 74 -4.761 -2.835 -10.162 576 1HG ARG 74 1HG ARG 74 -4.763 -0.448 -10.670 577 2HG ARG 74 2HG ARG 74 -3.132 -0.305 -10.002 578 1HD ARG 74 1HD ARG 74 -2.307 -1.889 -11.650 579 2HD ARG 74 2HD ARG 74 -3.923 -2.056 -12.323 580 HE ARG 74 HE ARG 74 -3.537 0.541 -12.559 581 1HH1 ARG 74 1HH1 ARG 74 -1.262 -2.085 -13.215 582 2HH1 ARG 74 2HH1 ARG 74 -0.576 -1.398 -14.604 583 1HH2 ARG 74 1HH2 ARG 74 -2.585 1.565 -14.476 584 2HH2 ARG 74 2HH2 ARG 74 -1.370 0.767 -15.346 585 H ASP 75 H ASP 75 -6.133 -3.804 -8.961 586 HA ASP 75 HA ASP 75 -5.940 -5.274 -6.502 587 1HB ASP 75 1HB ASP 75 -7.449 -6.855 -7.546 588 2HB ASP 75 2HB ASP 75 -8.069 -5.222 -7.676 589 H GLY 76 H GLY 76 -5.256 -7.347 -6.410 590 1HA GLY 76 1HA GLY 76 -3.825 -9.173 -6.930 591 2HA GLY 76 2HA GLY 76 -3.578 -8.460 -8.513 592 H TYR 77 H TYR 77 -3.080 -6.106 -6.291 593 HA TYR 77 HA TYR 77 -0.183 -6.409 -6.450 594 1HB TYR 77 1HB TYR 77 -1.944 -4.033 -5.790 595 2HB TYR 77 2HB TYR 77 -0.198 -4.018 -5.595 596 HD1 TYR 77 HD1 TYR 77 -1.246 -5.941 -8.457 597 HD2 TYR 77 HD2 TYR 77 -0.441 -1.962 -7.161 598 HE1 TYR 77 HE1 TYR 77 -0.975 -5.231 -10.793 599 HE2 TYR 77 HE2 TYR 77 -0.163 -1.259 -9.485 600 HH TYR 77 HH TYR 77 0.412 -2.271 -11.628 601 H ARG 78 H ARG 78 1.105 -5.982 -4.527 602 HA ARG 78 HA ARG 78 -0.420 -6.807 -2.217 603 1HB ARG 78 1HB ARG 78 1.424 -8.253 -1.477 604 2HB ARG 78 2HB ARG 78 0.732 -8.711 -3.016 605 1HG ARG 78 1HG ARG 78 2.677 -7.744 -4.160 606 2HG ARG 78 2HG ARG 78 3.377 -7.377 -2.568 607 1HD ARG 78 1HD ARG 78 3.236 -9.718 -1.942 608 2HD ARG 78 2HD ARG 78 2.521 -10.106 -3.493 609 HE ARG 78 HE ARG 78 5.073 -8.908 -3.831 610 1HH1 ARG 78 1HH1 ARG 78 3.432 -11.880 -2.869 611 2HH1 ARG 78 2HH1 ARG 78 4.743 -12.911 -3.241 612 1HH2 ARG 78 1HH2 ARG 78 6.910 -10.327 -4.325 613 2HH2 ARG 78 2HH2 ARG 78 6.754 -12.013 -4.078 614 H ILE 79 H ILE 79 -0.035 -6.036 -0.311 615 HA ILE 79 HA ILE 79 1.571 -3.600 -0.239 616 HB ILE 79 HB ILE 79 -0.729 -4.474 1.534 617 1HG1 ILE 79 1HG1 ILE 79 -1.515 -3.851 -0.694 618 2HG1 ILE 79 2HG1 ILE 79 -1.991 -2.646 0.495 619 1HG2 ILE 79 1HG2 ILE 79 0.857 -3.125 2.772 620 2HG2 ILE 79 2HG2 ILE 79 -0.627 -2.207 2.478 621 3HG2 ILE 79 3HG2 ILE 79 0.813 -1.902 1.503 622 1HD1 ILE 79 1HD1 ILE 79 -0.177 -1.188 -0.269 623 2HD1 ILE 79 2HD1 ILE 79 -1.278 -1.604 -1.579 624 3HD1 ILE 79 3HD1 ILE 79 0.290 -2.403 -1.459 625 H HIS 80 H HIS 80 3.346 -3.757 0.748 626 HA HIS 80 HA HIS 80 3.842 -5.913 2.686 627 1HB HIS 80 1HB HIS 80 5.189 -6.072 0.717 628 2HB HIS 80 2HB HIS 80 5.597 -4.363 0.796 629 HD1 HIS 80 HD1 HIS 80 6.120 -7.536 2.706 630 HD2 HIS 80 HD2 HIS 80 7.795 -3.801 2.164 631 HE1 HIS 80 HE1 HIS 80 8.225 -7.587 4.074 632 HE2 HIS 80 HE2 HIS 80 9.422 -5.533 3.215 633 H ALA 81 H ALA 81 4.067 -5.322 4.691 634 HA ALA 81 HA ALA 81 4.762 -2.545 5.295 635 1HB ALA 81 1HB ALA 81 3.762 -4.752 7.106 636 2HB ALA 81 2HB ALA 81 2.761 -3.481 6.406 637 3HB ALA 81 3HB ALA 81 4.018 -3.069 7.570 638 H VAL 82 H VAL 82 6.749 -2.040 5.847 639 HA VAL 82 HA VAL 82 8.462 -4.232 6.665 640 HB VAL 82 HB VAL 82 9.004 -3.350 4.432 641 1HG1 VAL 82 1HG1 VAL 82 8.327 -1.059 4.618 642 2HG1 VAL 82 2HG1 VAL 82 10.019 -1.134 4.135 643 3HG1 VAL 82 3HG1 VAL 82 9.593 -0.741 5.804 644 1HG2 VAL 82 1HG2 VAL 82 10.781 -4.348 5.731 645 2HG2 VAL 82 2HG2 VAL 82 11.115 -2.806 6.515 646 3HG2 VAL 82 3HG2 VAL 82 11.425 -3.004 4.788 647 H ASP 83 H ASP 83 9.521 -4.028 8.397 648 HA ASP 83 HA ASP 83 8.823 -1.985 10.269 649 1HB ASP 83 1HB ASP 83 8.864 -4.227 11.045 650 2HB ASP 83 2HB ASP 83 10.537 -4.424 10.534 651 H VAL 84 H VAL 84 9.867 -0.307 10.817 652 HA VAL 84 HA VAL 84 12.656 0.003 9.981 653 HB VAL 84 HB VAL 84 10.671 2.139 10.760 654 1HG1 VAL 84 1HG1 VAL 84 12.975 2.873 10.935 655 2HG1 VAL 84 2HG1 VAL 84 12.184 3.698 9.590 656 3HG1 VAL 84 3HG1 VAL 84 13.290 2.363 9.276 657 1HG2 VAL 84 1HG2 VAL 84 11.351 1.203 7.976 658 2HG2 VAL 84 2HG2 VAL 84 10.355 2.608 8.359 659 3HG2 VAL 84 3HG2 VAL 84 9.809 0.993 8.803 660 H THR 85 H THR 85 10.858 -0.915 12.616 661 HA THR 85 HA THR 85 11.987 0.795 14.620 662 HB THR 85 HB THR 85 10.712 -1.891 15.116 663 HG1 THR 85 HG1 THR 85 9.207 -1.081 13.910 664 1HG2 THR 85 1HG2 THR 85 9.861 -0.763 17.115 665 2HG2 THR 85 2HG2 THR 85 10.626 0.738 16.600 666 3HG2 THR 85 3HG2 THR 85 11.619 -0.651 17.037 667 H GLY 86 H GLY 86 12.542 -2.416 13.341 668 1HA GLY 86 1HA GLY 86 14.976 -2.605 14.975 669 2HA GLY 86 2HA GLY 86 14.162 -3.960 14.184 670 H GLY 87 H GLY 87 13.943 -1.491 12.206 671 1HA GLY 87 1HA GLY 87 14.930 -0.912 10.190 672 2HA GLY 87 2HA GLY 87 16.464 -1.290 10.954 673 H ASN 88 H ASN 88 13.640 -2.912 9.468 674 HA ASN 88 HA ASN 88 15.485 -4.986 8.547 675 1HB ASN 88 1HB ASN 88 12.462 -4.888 8.587 676 2HB ASN 88 2HB ASN 88 13.343 -6.085 7.659 677 1HD2 ASN 88 1HD2 ASN 88 14.380 -4.944 10.828 678 2HD2 ASN 88 2HD2 ASN 88 14.059 -6.442 11.634 679 H GLU 89 H GLU 89 15.824 -5.428 6.448 680 HA GLU 89 HA GLU 89 16.174 -5.058 4.281 681 1HB GLU 89 1HB GLU 89 13.521 -3.610 4.323 682 2HB GLU 89 2HB GLU 89 14.373 -4.125 2.878 683 1HG GLU 89 1HG GLU 89 13.229 -5.909 5.012 684 2HG GLU 89 2HG GLU 89 12.570 -5.654 3.401 685 H ASP 90 H ASP 90 17.952 -3.866 4.408 686 HA ASP 90 HA ASP 90 17.615 -1.038 3.851 687 1HB ASP 90 1HB ASP 90 18.147 -1.090 6.222 688 2HB ASP 90 2HB ASP 90 19.530 -2.141 5.908 Start of MODEL 9 1 H MET 1 H MET 1 -14.957 6.758 -5.392 2 HA MET 1 HA MET 1 -16.836 5.530 -7.308 3 1HB MET 1 1HB MET 1 -13.812 5.377 -7.128 4 2HB MET 1 2HB MET 1 -14.804 4.414 -8.209 5 1HG MET 1 1HG MET 1 -15.522 6.447 -9.358 6 2HG MET 1 2HG MET 1 -14.544 7.410 -8.258 7 1HE MET 1 1HE MET 1 -12.581 7.719 -11.620 8 2HE MET 1 2HE MET 1 -13.346 8.585 -10.289 9 3HE MET 1 3HE MET 1 -14.330 7.645 -11.410 10 H THR 2 H THR 2 -17.709 3.718 -6.548 11 HA THR 2 HA THR 2 -16.664 2.538 -4.163 12 HB THR 2 HB THR 2 -18.646 0.963 -4.520 13 HG1 THR 2 HG1 THR 2 -20.066 1.435 -6.066 14 1HG2 THR 2 1HG2 THR 2 -20.284 2.650 -3.807 15 2HG2 THR 2 2HG2 THR 2 -19.167 3.927 -4.302 16 3HG2 THR 2 3HG2 THR 2 -18.741 2.844 -2.976 17 H GLU 3 H GLU 3 -15.083 1.084 -4.229 18 HA GLU 3 HA GLU 3 -15.047 -1.042 -6.163 19 1HB GLU 3 1HB GLU 3 -14.118 0.925 -7.327 20 2HB GLU 3 2HB GLU 3 -12.852 0.993 -6.118 21 1HG GLU 3 1HG GLU 3 -12.249 -0.096 -8.164 22 2HG GLU 3 2HG GLU 3 -12.033 -1.182 -6.768 23 H VAL 4 H VAL 4 -13.404 -2.528 -5.597 24 HA VAL 4 HA VAL 4 -12.050 -2.175 -3.029 25 HB VAL 4 HB VAL 4 -12.671 -4.530 -2.394 26 1HG1 VAL 4 1HG1 VAL 4 -14.998 -2.628 -2.650 27 2HG1 VAL 4 2HG1 VAL 4 -13.840 -2.683 -1.319 28 3HG1 VAL 4 3HG1 VAL 4 -14.941 -4.032 -1.589 29 1HG2 VAL 4 1HG2 VAL 4 -14.625 -5.571 -3.436 30 2HG2 VAL 4 2HG2 VAL 4 -13.326 -5.335 -4.610 31 3HG2 VAL 4 3HG2 VAL 4 -14.713 -4.249 -4.598 32 H TYR 5 H TYR 5 -10.138 -3.092 -2.937 33 HA TYR 5 HA TYR 5 -9.255 -4.650 -5.309 34 1HB TYR 5 1HB TYR 5 -7.576 -2.782 -3.617 35 2HB TYR 5 2HB TYR 5 -6.996 -3.771 -4.944 36 HD1 TYR 5 HD1 TYR 5 -7.755 -0.558 -4.086 37 HD2 TYR 5 HD2 TYR 5 -8.557 -3.351 -7.190 38 HE1 TYR 5 HE1 TYR 5 -8.200 1.289 -5.629 39 HE2 TYR 5 HE2 TYR 5 -9.006 -1.503 -8.748 40 HH TYR 5 HH TYR 5 -9.689 0.882 -8.642 41 H ASP 6 H ASP 6 -8.783 -6.622 -4.925 42 HA ASP 6 HA ASP 6 -8.386 -7.513 -2.224 43 1HB ASP 6 1HB ASP 6 -9.606 -8.886 -3.790 44 2HB ASP 6 2HB ASP 6 -8.158 -8.961 -4.825 45 H LEU 7 H LEU 7 -6.615 -7.456 -1.322 46 HA LEU 7 HA LEU 7 -4.192 -7.038 -2.890 47 1HB LEU 7 1HB LEU 7 -4.972 -5.978 -0.201 48 2HB LEU 7 2HB LEU 7 -3.446 -5.697 -1.015 49 HG LEU 7 HG LEU 7 -6.148 -4.779 -2.009 50 1HD1 LEU 7 1HD1 LEU 7 -5.422 -3.535 -0.029 51 2HD1 LEU 7 2HD1 LEU 7 -5.382 -2.545 -1.488 52 3HD1 LEU 7 3HD1 LEU 7 -3.886 -3.201 -0.831 53 1HD2 LEU 7 1HD2 LEU 7 -3.377 -4.262 -3.067 54 2HD2 LEU 7 2HD2 LEU 7 -4.865 -3.518 -3.654 55 3HD2 LEU 7 3HD2 LEU 7 -4.621 -5.251 -3.834 56 H GLU 8 H GLU 8 -2.275 -7.807 -1.982 57 HA GLU 8 HA GLU 8 -2.669 -10.037 -0.133 58 1HB GLU 8 1HB GLU 8 -1.874 -10.530 -2.437 59 2HB GLU 8 2HB GLU 8 -0.442 -9.552 -2.156 60 1HG GLU 8 1HG GLU 8 -1.181 -12.062 -0.646 61 2HG GLU 8 2HG GLU 8 -0.105 -12.021 -2.032 62 H ILE 9 H ILE 9 -1.873 -9.697 1.757 63 HA ILE 9 HA ILE 9 -0.348 -7.217 2.187 64 HB ILE 9 HB ILE 9 -2.181 -8.617 4.116 65 1HG1 ILE 9 1HG1 ILE 9 -3.485 -7.611 2.303 66 2HG1 ILE 9 2HG1 ILE 9 -3.721 -6.706 3.793 67 1HG2 ILE 9 1HG2 ILE 9 -0.775 -5.957 4.360 68 2HG2 ILE 9 2HG2 ILE 9 -0.422 -7.420 5.281 69 3HG2 ILE 9 3HG2 ILE 9 -1.960 -6.585 5.505 70 1HD1 ILE 9 1HD1 ILE 9 -3.516 -5.216 1.888 71 2HD1 ILE 9 2HD1 ILE 9 -1.958 -5.923 1.483 72 3HD1 ILE 9 3HD1 ILE 9 -2.142 -5.002 2.977 73 H THR 10 H THR 10 1.479 -7.348 3.000 74 HA THR 10 HA THR 10 2.282 -9.638 4.561 75 HB THR 10 HB THR 10 3.333 -10.393 2.797 76 HG1 THR 10 HG1 THR 10 5.305 -10.339 3.147 77 1HG2 THR 10 1HG2 THR 10 4.266 -9.089 0.875 78 2HG2 THR 10 2HG2 THR 10 3.713 -7.616 1.679 79 3HG2 THR 10 3HG2 THR 10 2.546 -8.815 1.142 80 H THR 11 H THR 11 4.328 -9.315 5.481 81 HA THR 11 HA THR 11 5.111 -6.634 6.332 82 HB THR 11 HB THR 11 4.485 -8.611 8.450 83 HG1 THR 11 HG1 THR 11 2.647 -7.216 6.942 84 1HG2 THR 11 1HG2 THR 11 4.242 -6.573 9.877 85 2HG2 THR 11 2HG2 THR 11 4.633 -5.589 8.467 86 3HG2 THR 11 3HG2 THR 11 5.820 -6.720 9.112 87 H ASN 12 H ASN 12 6.971 -6.889 7.781 88 HA ASN 12 HA ASN 12 8.768 -8.794 6.599 89 1HB ASN 12 1HB ASN 12 10.470 -7.739 7.991 90 2HB ASN 12 2HB ASN 12 9.532 -6.537 7.111 91 1HD2 ASN 12 1HD2 ASN 12 10.436 -7.767 10.225 92 2HD2 ASN 12 2HD2 ASN 12 9.654 -6.547 11.136 93 H ALA 13 H ALA 13 6.889 -8.521 9.423 94 HA ALA 13 HA ALA 13 8.289 -10.449 10.971 95 1HB ALA 13 1HB ALA 13 5.503 -9.343 11.318 96 2HB ALA 13 2HB ALA 13 6.972 -8.679 12.031 97 3HB ALA 13 3HB ALA 13 6.399 -10.274 12.517 98 H THR 14 H THR 14 5.855 -10.554 8.489 99 HA THR 14 HA THR 14 5.256 -13.300 9.194 100 HB THR 14 HB THR 14 3.226 -12.994 7.759 101 HG1 THR 14 HG1 THR 14 3.056 -11.280 6.637 102 1HG2 THR 14 1HG2 THR 14 3.071 -12.741 10.192 103 2HG2 THR 14 2HG2 THR 14 1.976 -11.627 9.377 104 3HG2 THR 14 3HG2 THR 14 3.499 -11.037 10.047 105 H ASP 15 H ASP 15 5.788 -14.864 7.800 106 HA ASP 15 HA ASP 15 7.019 -14.129 5.240 107 1HB ASP 15 1HB ASP 15 8.266 -15.718 6.658 108 2HB ASP 15 2HB ASP 15 6.874 -16.797 6.688 109 H PHE 16 H PHE 16 4.228 -15.297 6.656 110 HA PHE 16 HA PHE 16 3.177 -16.690 4.383 111 1HB PHE 16 1HB PHE 16 2.687 -17.472 6.653 112 2HB PHE 16 2HB PHE 16 2.013 -15.894 7.030 113 HD1 PHE 16 HD1 PHE 16 1.502 -18.842 4.833 114 HD2 PHE 16 HD2 PHE 16 -0.261 -15.505 6.793 115 HE1 PHE 16 HE1 PHE 16 -0.735 -19.654 4.203 116 HE2 PHE 16 HE2 PHE 16 -2.498 -16.306 6.161 117 HZ PHE 16 HZ PHE 16 -2.736 -18.380 4.867 118 HA PRO 17 HA PRO 17 1.405 -12.884 2.740 119 1HB PRO 17 1HB PRO 17 0.334 -14.045 0.549 120 2HB PRO 17 2HB PRO 17 2.057 -13.679 0.678 121 1HG PRO 17 1HG PRO 17 0.638 -16.280 0.931 122 2HG PRO 17 2HG PRO 17 2.247 -15.939 0.280 123 1HD PRO 17 1HD PRO 17 1.701 -16.944 2.815 124 2HD PRO 17 2HD PRO 17 3.225 -16.180 2.346 125 H MET 18 H MET 18 -0.601 -12.036 2.704 126 HA MET 18 HA MET 18 -2.812 -13.836 3.497 127 1HB MET 18 1HB MET 18 -2.135 -11.173 4.754 128 2HB MET 18 2HB MET 18 -3.574 -12.113 5.109 129 1HG MET 18 1HG MET 18 -2.213 -13.894 6.048 130 2HG MET 18 2HG MET 18 -0.744 -13.027 5.616 131 1HE MET 18 1HE MET 18 0.017 -10.746 6.741 132 2HE MET 18 2HE MET 18 -0.891 -9.918 8.002 133 3HE MET 18 3HE MET 18 -1.532 -9.989 6.361 134 H GLU 19 H GLU 19 -4.473 -13.574 2.114 135 HA GLU 19 HA GLU 19 -4.493 -11.201 0.464 136 1HB GLU 19 1HB GLU 19 -6.494 -13.461 0.476 137 2HB GLU 19 2HB GLU 19 -6.405 -12.172 -0.705 138 1HG GLU 19 1HG GLU 19 -5.516 -14.032 -1.751 139 2HG GLU 19 2HG GLU 19 -4.109 -13.085 -1.291 140 H LYS 20 H LYS 20 -5.575 -9.492 0.914 141 HA LYS 20 HA LYS 20 -8.023 -9.685 2.448 142 1HB LYS 20 1HB LYS 20 -6.161 -9.371 4.070 143 2HB LYS 20 2HB LYS 20 -5.805 -7.840 3.281 144 1HG LYS 20 1HG LYS 20 -7.932 -6.962 3.873 145 2HG LYS 20 2HG LYS 20 -8.452 -8.532 4.490 146 1HD LYS 20 1HD LYS 20 -6.676 -8.429 6.174 147 2HD LYS 20 2HD LYS 20 -6.227 -6.852 5.504 148 1HE LYS 20 1HE LYS 20 -7.616 -6.638 7.551 149 2HE LYS 20 2HE LYS 20 -8.387 -5.939 6.129 150 1HZ LYS 20 1HZ LYS 20 -8.985 -8.634 7.242 151 2HZ LYS 20 2HZ LYS 20 -9.752 -7.931 5.927 152 3HZ LYS 20 3HZ LYS 20 -9.945 -7.266 7.445 153 H LYS 21 H LYS 21 -9.464 -8.335 1.713 154 HA LYS 21 HA LYS 21 -8.632 -6.589 -0.472 155 1HB LYS 21 1HB LYS 21 -10.152 -8.419 -1.041 156 2HB LYS 21 2HB LYS 21 -11.294 -7.857 0.160 157 1HG LYS 21 1HG LYS 21 -11.782 -5.905 -1.111 158 2HG LYS 21 2HG LYS 21 -10.469 -6.242 -2.241 159 1HD LYS 21 1HD LYS 21 -12.614 -6.871 -3.222 160 2HD LYS 21 2HD LYS 21 -11.615 -8.294 -2.959 161 1HE LYS 21 1HE LYS 21 -12.879 -8.760 -0.888 162 2HE LYS 21 2HE LYS 21 -13.887 -7.349 -1.210 163 1HZ LYS 21 1HZ LYS 21 -14.596 -8.417 -3.285 164 2HZ LYS 21 2HZ LYS 21 -14.976 -9.347 -1.943 165 3HZ LYS 21 3HZ LYS 21 -13.672 -9.776 -2.910 166 H TYR 22 H TYR 22 -9.007 -4.489 -0.474 167 HA TYR 22 HA TYR 22 -10.408 -3.313 1.828 168 1HB TYR 22 1HB TYR 22 -7.834 -2.407 0.515 169 2HB TYR 22 2HB TYR 22 -8.754 -1.419 1.633 170 HD1 TYR 22 HD1 TYR 22 -6.632 -4.418 1.304 171 HD2 TYR 22 HD2 TYR 22 -8.632 -1.800 3.992 172 HE1 TYR 22 HE1 TYR 22 -5.343 -5.353 3.171 173 HE2 TYR 22 HE2 TYR 22 -7.353 -2.736 5.866 174 HH TYR 22 HH TYR 22 -4.623 -4.674 5.419 175 HA PRO 23 HA PRO 23 -12.584 -0.967 -1.291 176 1HB PRO 23 1HB PRO 23 -12.495 1.389 0.462 177 2HB PRO 23 2HB PRO 23 -13.897 0.488 -0.102 178 1HG PRO 23 1HG PRO 23 -13.090 0.376 2.457 179 2HG PRO 23 2HG PRO 23 -13.782 -1.028 1.628 180 1HD PRO 23 1HD PRO 23 -10.915 -0.405 2.218 181 2HD PRO 23 2HD PRO 23 -11.785 -1.954 2.332 182 H ALA 24 H ALA 24 -12.092 0.350 -2.917 183 HA ALA 24 HA ALA 24 -9.454 1.185 -3.366 184 1HB ALA 24 1HB ALA 24 -10.291 2.161 -5.399 185 2HB ALA 24 2HB ALA 24 -11.926 2.143 -4.750 186 3HB ALA 24 3HB ALA 24 -11.093 0.619 -5.102 187 H GLY 25 H GLY 25 -12.162 2.803 -2.199 188 1HA GLY 25 1HA GLY 25 -10.965 5.443 -2.369 189 2HA GLY 25 2HA GLY 25 -12.556 5.077 -1.727 190 H MET 26 H MET 26 -10.440 2.988 -0.233 191 HA MET 26 HA MET 26 -10.644 4.580 2.155 192 1HB MET 26 1HB MET 26 -10.916 2.019 1.899 193 2HB MET 26 2HB MET 26 -9.159 1.970 2.024 194 1HG MET 26 1HG MET 26 -10.198 1.576 4.179 195 2HG MET 26 2HG MET 26 -9.322 3.112 4.196 196 1HE MET 26 1HE MET 26 -12.521 3.805 6.454 197 2HE MET 26 2HE MET 26 -10.758 3.750 6.429 198 3HE MET 26 3HE MET 26 -11.689 2.258 6.308 199 H SER 27 H SER 27 -8.818 4.932 3.561 200 HA SER 27 HA SER 27 -6.518 6.282 2.261 201 1HB SER 27 1HB SER 27 -7.289 5.905 5.131 202 2HB SER 27 2HB SER 27 -6.223 7.119 4.432 203 HG SER 27 HG SER 27 -8.103 8.043 4.820 204 H LEU 28 H LEU 28 -4.478 5.755 2.372 205 HA LEU 28 HA LEU 28 -3.826 3.035 3.038 206 1HB LEU 28 1HB LEU 28 -2.587 4.823 1.484 207 2HB LEU 28 2HB LEU 28 -1.761 5.207 2.957 208 HG LEU 28 HG LEU 28 -1.661 2.499 1.596 209 1HD1 LEU 28 1HD1 LEU 28 0.660 3.032 1.126 210 2HD1 LEU 28 2HD1 LEU 28 0.436 4.636 1.821 211 3HD1 LEU 28 3HD1 LEU 28 -0.439 4.181 0.362 212 1HD2 LEU 28 1HD2 LEU 28 -1.410 2.273 4.021 213 2HD2 LEU 28 2HD2 LEU 28 -0.127 3.484 4.003 214 3HD2 LEU 28 3HD2 LEU 28 0.107 1.938 3.189 215 H ASN 29 H ASN 29 -3.800 6.112 4.650 216 HA ASN 29 HA ASN 29 -2.367 5.579 7.047 217 1HB ASN 29 1HB ASN 29 -4.937 7.190 6.836 218 2HB ASN 29 2HB ASN 29 -3.850 7.192 8.208 219 1HD2 ASN 29 1HD2 ASN 29 -1.428 7.272 6.391 220 2HD2 ASN 29 2HD2 ASN 29 -1.436 8.881 5.817 221 H ASP 30 H ASP 30 -5.739 4.926 6.233 222 HA ASP 30 HA ASP 30 -6.450 3.830 8.746 223 1HB ASP 30 1HB ASP 30 -7.966 4.728 6.958 224 2HB ASP 30 2HB ASP 30 -7.674 3.248 6.076 225 H LEU 31 H LEU 31 -5.158 2.572 5.806 226 HA LEU 31 HA LEU 31 -5.534 -0.208 6.356 227 1HB LEU 31 1HB LEU 31 -5.070 0.989 4.110 228 2HB LEU 31 2HB LEU 31 -3.416 1.034 4.598 229 HG LEU 31 HG LEU 31 -4.943 -1.554 4.183 230 1HD1 LEU 31 1HD1 LEU 31 -4.769 -0.325 2.105 231 2HD1 LEU 31 2HD1 LEU 31 -3.707 -1.733 2.088 232 3HD1 LEU 31 3HD1 LEU 31 -3.035 -0.122 2.348 233 1HD2 LEU 31 1HD2 LEU 31 -2.724 -2.590 4.125 234 2HD2 LEU 31 2HD2 LEU 31 -2.996 -1.776 5.665 235 3HD2 LEU 31 3HD2 LEU 31 -1.977 -1.021 4.439 236 H LYS 32 H LYS 32 -2.967 2.108 6.794 237 HA LYS 32 HA LYS 32 -1.050 0.418 8.047 238 1HB LYS 32 1HB LYS 32 -1.524 3.362 8.505 239 2HB LYS 32 2HB LYS 32 -0.112 2.448 9.014 240 1HG LYS 32 1HG LYS 32 0.335 1.970 6.600 241 2HG LYS 32 2HG LYS 32 -1.015 3.001 6.224 242 1HD LYS 32 1HD LYS 32 1.092 4.245 6.033 243 2HD LYS 32 2HD LYS 32 0.026 4.924 7.265 244 1HE LYS 32 1HE LYS 32 1.348 3.810 9.005 245 2HE LYS 32 2HE LYS 32 2.380 3.104 7.760 246 1HZ LYS 32 1HZ LYS 32 3.077 5.351 7.147 247 2HZ LYS 32 2HZ LYS 32 3.381 5.073 8.772 248 3HZ LYS 32 3HZ LYS 32 2.054 6.003 8.306 249 H LYS 33 H LYS 33 -3.761 2.261 9.374 250 HA LYS 33 HA LYS 33 -3.168 1.729 12.084 251 1HB LYS 33 1HB LYS 33 -4.861 3.398 10.908 252 2HB LYS 33 2HB LYS 33 -5.938 2.031 11.001 253 1HG LYS 33 1HG LYS 33 -6.274 3.519 12.890 254 2HG LYS 33 2HG LYS 33 -5.685 1.936 13.421 255 1HD LYS 33 1HD LYS 33 -4.556 3.774 14.569 256 2HD LYS 33 2HD LYS 33 -3.408 2.837 13.638 257 1HE LYS 33 1HE LYS 33 -3.656 4.591 11.801 258 2HE LYS 33 2HE LYS 33 -4.592 5.538 12.956 259 1HZ LYS 33 1HZ LYS 33 -2.607 5.532 14.408 260 2HZ LYS 33 2HZ LYS 33 -2.285 6.184 12.875 261 3HZ LYS 33 3HZ LYS 33 -1.833 4.594 13.226 262 H LYS 34 H LYS 34 -4.807 -0.028 9.571 263 HA LYS 34 HA LYS 34 -5.972 -2.087 11.165 264 1HB LYS 34 1HB LYS 34 -5.909 -1.416 8.448 265 2HB LYS 34 2HB LYS 34 -4.958 -2.867 8.530 266 1HG LYS 34 1HG LYS 34 -7.186 -3.506 8.012 267 2HG LYS 34 2HG LYS 34 -6.862 -4.004 9.674 268 1HD LYS 34 1HD LYS 34 -9.093 -2.972 9.441 269 2HD LYS 34 2HD LYS 34 -8.052 -2.038 10.516 270 1HE LYS 34 1HE LYS 34 -7.561 -0.458 8.717 271 2HE LYS 34 2HE LYS 34 -8.506 -1.422 7.585 272 1HZ LYS 34 1HZ LYS 34 -9.608 0.529 8.392 273 2HZ LYS 34 2HZ LYS 34 -9.554 -0.044 9.987 274 3HZ LYS 34 3HZ LYS 34 -10.468 -0.869 8.806 275 H LEU 35 H LEU 35 -2.911 -1.656 9.435 276 HA LEU 35 HA LEU 35 -1.702 -4.087 10.057 277 1HB LEU 35 1HB LEU 35 -0.662 -1.369 9.384 278 2HB LEU 35 2HB LEU 35 0.389 -2.741 9.463 279 HG LEU 35 HG LEU 35 -1.876 -2.295 7.521 280 1HD1 LEU 35 1HD1 LEU 35 0.086 -0.946 7.048 281 2HD1 LEU 35 2HD1 LEU 35 -0.062 -2.236 5.853 282 3HD1 LEU 35 3HD1 LEU 35 1.103 -2.373 7.171 283 1HD2 LEU 35 1HD2 LEU 35 -1.707 -4.673 8.053 284 2HD2 LEU 35 2HD2 LEU 35 0.026 -4.629 7.739 285 3HD2 LEU 35 3HD2 LEU 35 -1.113 -4.356 6.424 286 H GLU 36 H GLU 36 -1.624 -0.890 11.654 287 HA GLU 36 HA GLU 36 0.074 -1.485 13.737 288 1HB GLU 36 1HB GLU 36 -2.212 0.383 13.358 289 2HB GLU 36 2HB GLU 36 -1.363 0.405 14.855 290 1HG GLU 36 1HG GLU 36 0.713 0.925 13.570 291 2HG GLU 36 2HG GLU 36 -0.288 0.996 12.118 292 H LEU 37 H LEU 37 -3.322 -2.084 13.275 293 HA LEU 37 HA LEU 37 -3.769 -2.917 15.960 294 1HB LEU 37 1HB LEU 37 -5.565 -1.998 14.452 295 2HB LEU 37 2HB LEU 37 -5.408 -3.436 13.497 296 HG LEU 37 HG LEU 37 -6.179 -4.818 15.367 297 1HD1 LEU 37 1HD1 LEU 37 -6.613 -2.193 16.775 298 2HD1 LEU 37 2HD1 LEU 37 -5.454 -3.442 17.231 299 3HD1 LEU 37 3HD1 LEU 37 -7.186 -3.763 17.331 300 1HD2 LEU 37 1HD2 LEU 37 -8.006 -2.541 14.629 301 2HD2 LEU 37 2HD2 LEU 37 -8.513 -4.086 15.310 302 3HD2 LEU 37 3HD2 LEU 37 -7.767 -4.029 13.713 303 H VAL 38 H VAL 38 -3.424 -4.655 12.902 304 HA VAL 38 HA VAL 38 -3.677 -7.206 14.157 305 HB VAL 38 HB VAL 38 -2.717 -6.537 11.357 306 1HG1 VAL 38 1HG1 VAL 38 -1.958 -8.762 12.033 307 2HG1 VAL 38 2HG1 VAL 38 -3.228 -8.881 10.816 308 3HG1 VAL 38 3HG1 VAL 38 -3.602 -9.188 12.511 309 1HG2 VAL 38 1HG2 VAL 38 -4.993 -7.178 10.671 310 2HG2 VAL 38 2HG2 VAL 38 -5.003 -5.800 11.774 311 3HG2 VAL 38 3HG2 VAL 38 -5.427 -7.404 12.366 312 H VAL 39 H VAL 39 -0.884 -5.316 13.030 313 HA VAL 39 HA VAL 39 0.880 -7.488 13.885 314 HB VAL 39 HB VAL 39 1.657 -4.927 12.474 315 1HG1 VAL 39 1HG1 VAL 39 3.490 -6.043 13.630 316 2HG1 VAL 39 2HG1 VAL 39 3.695 -6.136 11.884 317 3HG1 VAL 39 3HG1 VAL 39 3.131 -7.546 12.779 318 1HG2 VAL 39 1HG2 VAL 39 1.063 -7.629 11.255 319 2HG2 VAL 39 2HG2 VAL 39 1.730 -6.241 10.396 320 3HG2 VAL 39 3HG2 VAL 39 0.098 -6.163 11.062 321 H GLY 40 H GLY 40 -0.178 -4.334 14.951 322 1HA GLY 40 1HA GLY 40 0.190 -3.499 17.062 323 2HA GLY 40 2HA GLY 40 1.398 -4.744 17.339 324 H THR 41 H THR 41 2.054 -3.388 14.417 325 HA THR 41 HA THR 41 4.396 -2.023 15.279 326 HB THR 41 HB THR 41 3.061 -1.545 12.604 327 HG1 THR 41 HG1 THR 41 3.828 -3.519 11.943 328 1HG2 THR 41 1HG2 THR 41 5.177 -0.360 13.043 329 2HG2 THR 41 2HG2 THR 41 5.396 -1.583 11.792 330 3HG2 THR 41 3HG2 THR 41 5.953 -1.895 13.432 331 H THR 42 H THR 42 4.787 0.402 14.543 332 HA THR 42 HA THR 42 2.601 2.049 15.563 333 HB THR 42 HB THR 42 4.369 3.810 15.738 334 HG1 THR 42 HG1 THR 42 6.350 1.898 15.327 335 1HG2 THR 42 1HG2 THR 42 5.130 1.187 17.030 336 2HG2 THR 42 2HG2 THR 42 3.925 2.317 17.639 337 3HG2 THR 42 3HG2 THR 42 5.626 2.790 17.578 338 H VAL 43 H VAL 43 3.111 4.496 14.375 339 HA VAL 43 HA VAL 43 2.122 3.935 11.676 340 HB VAL 43 HB VAL 43 2.528 6.644 12.912 341 1HG1 VAL 43 1HG1 VAL 43 0.668 5.733 10.747 342 2HG1 VAL 43 2HG1 VAL 43 2.128 6.707 10.568 343 3HG1 VAL 43 3HG1 VAL 43 0.731 7.362 11.422 344 1HG2 VAL 43 1HG2 VAL 43 0.197 6.632 13.662 345 2HG2 VAL 43 2HG2 VAL 43 1.174 5.410 14.482 346 3HG2 VAL 43 3HG2 VAL 43 0.069 4.938 13.192 347 H ASP 44 H ASP 44 4.680 5.762 13.199 348 HA ASP 44 HA ASP 44 5.672 6.669 10.671 349 1HB ASP 44 1HB ASP 44 5.833 8.112 12.606 350 2HB ASP 44 2HB ASP 44 6.851 6.920 13.416 351 H SER 45 H SER 45 6.652 4.195 13.025 352 HA SER 45 HA SER 45 9.035 3.695 11.642 353 1HB SER 45 1HB SER 45 7.590 2.287 13.834 354 2HB SER 45 2HB SER 45 9.246 1.995 13.292 355 HG SER 45 HG SER 45 9.232 4.502 13.662 356 H MET 46 H MET 46 5.906 2.968 10.986 357 HA MET 46 HA MET 46 6.651 0.414 9.787 358 1HB MET 46 1HB MET 46 4.547 0.500 11.151 359 2HB MET 46 2HB MET 46 3.932 1.641 9.991 360 1HG MET 46 1HG MET 46 3.907 0.053 8.241 361 2HG MET 46 2HG MET 46 4.795 -1.119 9.209 362 1HE MET 46 1HE MET 46 0.541 0.239 10.296 363 2HE MET 46 2HE MET 46 1.477 0.950 8.982 364 3HE MET 46 3HE MET 46 1.988 1.176 10.656 365 H ARG 47 H ARG 47 7.375 0.469 7.923 366 HA ARG 47 HA ARG 47 6.798 2.624 6.026 367 1HB ARG 47 1HB ARG 47 9.093 2.118 6.814 368 2HB ARG 47 2HB ARG 47 8.923 0.511 6.152 369 1HG ARG 47 1HG ARG 47 8.766 1.443 3.931 370 2HG ARG 47 2HG ARG 47 8.919 3.073 4.608 371 1HD ARG 47 1HD ARG 47 11.048 2.390 5.650 372 2HD ARG 47 2HD ARG 47 10.913 0.838 4.829 373 HE ARG 47 HE ARG 47 10.680 2.884 2.968 374 1HH1 ARG 47 1HH1 ARG 47 13.086 1.469 5.132 375 2HH1 ARG 47 2HH1 ARG 47 14.410 1.865 4.148 376 1HH2 ARG 47 1HH2 ARG 47 12.413 3.411 1.625 377 2HH2 ARG 47 2HH2 ARG 47 14.031 2.998 2.052 378 H ILE 48 H ILE 48 6.098 1.966 3.783 379 HA ILE 48 HA ILE 48 5.138 -0.797 3.780 380 HB ILE 48 HB ILE 48 3.474 1.657 3.154 381 1HG1 ILE 48 1HG1 ILE 48 1.728 0.475 4.587 382 2HG1 ILE 48 2HG1 ILE 48 2.974 -0.677 5.023 383 1HG2 ILE 48 1HG2 ILE 48 1.698 0.213 2.289 384 2HG2 ILE 48 2HG2 ILE 48 2.817 -1.150 2.363 385 3HG2 ILE 48 3HG2 ILE 48 3.158 0.212 1.294 386 1HD1 ILE 48 1HD1 ILE 48 2.643 0.976 6.747 387 2HD1 ILE 48 2HD1 ILE 48 2.977 2.271 5.599 388 3HD1 ILE 48 3HD1 ILE 48 4.256 1.138 6.050 389 H GLN 49 H GLN 49 5.692 -1.816 1.997 390 HA GLN 49 HA GLN 49 6.394 -0.137 -0.252 391 1HB GLN 49 1HB GLN 49 7.428 -2.872 0.450 392 2HB GLN 49 2HB GLN 49 7.607 -2.212 -1.160 393 1HG GLN 49 1HG GLN 49 9.641 -1.838 -0.073 394 2HG GLN 49 2HG GLN 49 8.835 -0.285 -0.105 395 1HE2 GLN 49 1HE2 GLN 49 9.962 -2.896 1.892 396 2HE2 GLN 49 2HE2 GLN 49 9.745 -2.063 3.379 397 H LEU 50 H LEU 50 5.472 -0.514 -2.192 398 HA LEU 50 HA LEU 50 3.311 -2.506 -2.234 399 1HB LEU 50 1HB LEU 50 2.538 -0.156 -2.292 400 2HB LEU 50 2HB LEU 50 3.510 0.138 -3.705 401 HG LEU 50 HG LEU 50 1.080 -1.746 -3.719 402 1HD1 LEU 50 1HD1 LEU 50 -0.079 0.074 -4.780 403 2HD1 LEU 50 2HD1 LEU 50 1.310 1.134 -4.537 404 3HD1 LEU 50 3HD1 LEU 50 0.414 0.513 -3.145 405 1HD2 LEU 50 1HD2 LEU 50 2.695 -2.113 -5.560 406 2HD2 LEU 50 2HD2 LEU 50 2.604 -0.391 -5.942 407 3HD2 LEU 50 3HD2 LEU 50 1.177 -1.400 -6.118 408 H PHE 51 H PHE 51 3.780 -4.168 -3.362 409 HA PHE 51 HA PHE 51 5.494 -3.923 -5.740 410 1HB PHE 51 1HB PHE 51 4.812 -6.369 -4.081 411 2HB PHE 51 2HB PHE 51 5.873 -6.334 -5.472 412 HD1 PHE 51 HD1 PHE 51 5.522 -5.602 -1.917 413 HD2 PHE 51 HD2 PHE 51 8.122 -5.426 -5.279 414 HE1 PHE 51 HE1 PHE 51 7.440 -5.268 -0.413 415 HE2 PHE 51 HE2 PHE 51 10.043 -5.088 -3.778 416 HZ PHE 51 HZ PHE 51 9.701 -5.009 -1.341 417 H ASP 52 H ASP 52 4.602 -4.844 -7.696 418 HA ASP 52 HA ASP 52 1.798 -5.355 -7.494 419 1HB ASP 52 1HB ASP 52 1.969 -5.576 -9.959 420 2HB ASP 52 2HB ASP 52 2.287 -3.962 -9.357 421 H GLY 53 H GLY 53 1.283 -7.118 -9.324 422 1HA GLY 53 1HA GLY 53 2.560 -9.548 -8.255 423 2HA GLY 53 2HA GLY 53 0.952 -9.484 -8.975 424 H ASP 54 H ASP 54 3.377 -7.637 -10.474 425 HA ASP 54 HA ASP 54 3.319 -9.441 -12.760 426 1HB ASP 54 1HB ASP 54 2.610 -7.036 -13.033 427 2HB ASP 54 2HB ASP 54 4.230 -6.562 -12.566 428 H ASP 55 H ASP 55 5.498 -7.403 -10.788 429 HA ASP 55 HA ASP 55 7.499 -9.276 -10.434 430 1HB ASP 55 1HB ASP 55 7.874 -9.186 -12.820 431 2HB ASP 55 2HB ASP 55 8.086 -7.449 -12.754 432 H GLN 56 H GLN 56 6.758 -5.885 -10.858 433 HA GLN 56 HA GLN 56 9.250 -5.195 -9.534 434 1HB GLN 56 1HB GLN 56 8.893 -2.965 -10.573 435 2HB GLN 56 2HB GLN 56 9.229 -4.307 -11.667 436 1HG GLN 56 1HG GLN 56 6.844 -4.458 -12.172 437 2HG GLN 56 2HG GLN 56 6.532 -3.110 -11.079 438 1HE2 GLN 56 1HE2 GLN 56 7.856 -4.090 -14.110 439 2HE2 GLN 56 2HE2 GLN 56 7.990 -2.515 -14.794 440 H LEU 57 H LEU 57 9.483 -3.513 -8.159 441 HA LEU 57 HA LEU 57 7.373 -2.972 -6.266 442 1HB LEU 57 1HB LEU 57 9.652 -3.346 -5.478 443 2HB LEU 57 2HB LEU 57 10.250 -2.064 -6.507 444 HG LEU 57 HG LEU 57 8.989 -0.416 -5.140 445 1HD1 LEU 57 1HD1 LEU 57 7.229 -1.840 -4.300 446 2HD1 LEU 57 2HD1 LEU 57 8.105 -1.070 -2.975 447 3HD1 LEU 57 3HD1 LEU 57 8.402 -2.765 -3.365 448 1HD2 LEU 57 1HD2 LEU 57 10.450 -0.512 -3.182 449 2HD2 LEU 57 2HD2 LEU 57 11.332 -0.837 -4.675 450 3HD2 LEU 57 3HD2 LEU 57 10.894 -2.166 -3.600 451 H LYS 58 H LYS 58 6.138 -1.211 -6.336 452 HA LYS 58 HA LYS 58 6.658 0.737 -8.423 453 1HB LYS 58 1HB LYS 58 4.373 0.371 -6.540 454 2HB LYS 58 2HB LYS 58 4.462 1.681 -7.705 455 1HG LYS 58 1HG LYS 58 4.363 -1.286 -8.306 456 2HG LYS 58 2HG LYS 58 3.069 -0.119 -8.589 457 1HD LYS 58 1HD LYS 58 4.506 1.065 -10.205 458 2HD LYS 58 2HD LYS 58 5.785 -0.108 -9.920 459 1HE LYS 58 1HE LYS 58 4.319 -1.884 -10.734 460 2HE LYS 58 2HE LYS 58 3.071 -0.683 -11.076 461 1HZ LYS 58 1HZ LYS 58 4.597 0.402 -12.604 462 2HZ LYS 58 2HZ LYS 58 4.366 -1.211 -13.057 463 3HZ LYS 58 3HZ LYS 58 5.785 -0.743 -12.287 464 H GLY 59 H GLY 59 6.444 0.571 -4.990 465 1HA GLY 59 1HA GLY 59 8.448 2.294 -4.408 466 2HA GLY 59 2HA GLY 59 7.058 3.349 -4.652 467 H GLU 60 H GLU 60 7.527 3.832 -2.349 468 HA GLU 60 HA GLU 60 6.166 1.851 -0.687 469 1HB GLU 60 1HB GLU 60 7.550 2.503 1.196 470 2HB GLU 60 2HB GLU 60 8.579 1.960 -0.132 471 1HG GLU 60 1HG GLU 60 8.825 4.322 -0.722 472 2HG GLU 60 2HG GLU 60 7.993 4.747 0.728 473 H LEU 61 H LEU 61 4.478 2.539 0.264 474 HA LEU 61 HA LEU 61 2.653 3.958 0.518 475 1HB LEU 61 1HB LEU 61 3.127 5.454 2.586 476 2HB LEU 61 2HB LEU 61 3.105 3.719 2.734 477 HG LEU 61 HG LEU 61 5.648 3.791 2.603 478 1HD1 LEU 61 1HD1 LEU 61 6.050 5.936 1.656 479 2HD1 LEU 61 2HD1 LEU 61 6.777 5.845 3.262 480 3HD1 LEU 61 3HD1 LEU 61 5.271 6.730 3.023 481 1HD2 LEU 61 1HD2 LEU 61 5.921 4.460 4.955 482 2HD2 LEU 61 2HD2 LEU 61 4.558 3.384 4.673 483 3HD2 LEU 61 3HD2 LEU 61 4.278 5.104 4.931 484 H THR 62 H THR 62 4.475 6.514 1.232 485 HA THR 62 HA THR 62 4.942 8.542 0.233 486 HB THR 62 HB THR 62 3.446 7.520 -2.178 487 HG1 THR 62 HG1 THR 62 5.504 6.470 -1.282 488 1HG2 THR 62 1HG2 THR 62 3.749 9.966 -2.233 489 2HG2 THR 62 2HG2 THR 62 4.774 9.158 -3.441 490 3HG2 THR 62 3HG2 THR 62 5.476 9.727 -1.928 491 H ASP 63 H ASP 63 1.956 7.448 1.120 492 HA ASP 63 HA ASP 63 1.075 9.883 2.114 493 1HB ASP 63 1HB ASP 63 0.443 10.076 -0.623 494 2HB ASP 63 2HB ASP 63 -0.795 9.041 -0.034 495 H GLY 64 H GLY 64 -1.629 9.401 2.045 496 1HA GLY 64 1HA GLY 64 -2.591 6.899 2.171 497 2HA GLY 64 2HA GLY 64 -2.084 7.131 3.812 498 H ALA 65 H ALA 65 -2.823 10.119 2.559 499 HA ALA 65 HA ALA 65 -5.431 9.996 3.761 500 1HB ALA 65 1HB ALA 65 -3.975 11.885 4.315 501 2HB ALA 65 2HB ALA 65 -5.386 12.438 3.411 502 3HB ALA 65 3HB ALA 65 -3.827 12.279 2.603 503 H LYS 66 H LYS 66 -3.792 9.879 0.756 504 HA LYS 66 HA LYS 66 -6.255 10.377 -0.711 505 1HB LYS 66 1HB LYS 66 -4.866 10.077 -2.731 506 2HB LYS 66 2HB LYS 66 -4.154 11.269 -1.666 507 1HG LYS 66 1HG LYS 66 -2.732 9.317 -0.797 508 2HG LYS 66 2HG LYS 66 -3.289 8.471 -2.229 509 1HD LYS 66 1HD LYS 66 -1.705 11.056 -2.191 510 2HD LYS 66 2HD LYS 66 -1.051 9.474 -2.545 511 1HE LYS 66 1HE LYS 66 -1.277 10.536 -4.633 512 2HE LYS 66 2HE LYS 66 -2.658 9.455 -4.539 513 1HZ LYS 66 1HZ LYS 66 -2.816 12.355 -3.872 514 2HZ LYS 66 2HZ LYS 66 -4.121 11.270 -4.189 515 3HZ LYS 66 3HZ LYS 66 -3.077 11.708 -5.390 516 H SER 67 H SER 67 -6.911 8.541 -2.323 517 HA SER 67 HA SER 67 -7.257 6.337 -0.561 518 1HB SER 67 1HB SER 67 -8.811 5.602 -2.316 519 2HB SER 67 2HB SER 67 -9.193 7.167 -1.609 520 HG SER 67 HG SER 67 -9.173 7.837 -3.605 521 H LEU 68 H LEU 68 -7.329 4.246 -1.533 522 HA LEU 68 HA LEU 68 -4.783 3.429 -2.496 523 1HB LEU 68 1HB LEU 68 -7.403 1.956 -2.489 524 2HB LEU 68 2HB LEU 68 -5.854 1.217 -2.800 525 HG LEU 68 HG LEU 68 -6.767 2.452 -0.194 526 1HD1 LEU 68 1HD1 LEU 68 -6.242 -0.411 -0.959 527 2HD1 LEU 68 2HD1 LEU 68 -7.820 0.321 -0.668 528 3HD1 LEU 68 3HD1 LEU 68 -6.661 0.165 0.655 529 1HD2 LEU 68 1HD2 LEU 68 -4.161 1.082 -0.868 530 2HD2 LEU 68 2HD2 LEU 68 -4.672 1.581 0.740 531 3HD2 LEU 68 3HD2 LEU 68 -4.365 2.796 -0.498 532 H LYS 69 H LYS 69 -7.747 4.256 -3.949 533 HA LYS 69 HA LYS 69 -7.321 3.116 -6.560 534 1HB LYS 69 1HB LYS 69 -9.557 3.936 -5.429 535 2HB LYS 69 2HB LYS 69 -9.049 5.518 -5.937 536 1HG LYS 69 1HG LYS 69 -9.538 3.218 -7.837 537 2HG LYS 69 2HG LYS 69 -10.716 4.459 -7.452 538 1HD LYS 69 1HD LYS 69 -9.262 6.154 -8.433 539 2HD LYS 69 2HD LYS 69 -8.024 4.936 -8.748 540 1HE LYS 69 1HE LYS 69 -9.592 3.743 -10.219 541 2HE LYS 69 2HE LYS 69 -10.810 4.977 -9.913 542 1HZ LYS 69 1HZ LYS 69 -9.672 5.329 -11.995 543 2HZ LYS 69 2HZ LYS 69 -8.180 5.455 -11.220 544 3HZ LYS 69 3HZ LYS 69 -9.379 6.607 -10.950 545 H ASP 70 H ASP 70 -6.954 6.207 -5.033 546 HA ASP 70 HA ASP 70 -5.994 7.706 -7.243 547 1HB ASP 70 1HB ASP 70 -7.155 8.501 -5.180 548 2HB ASP 70 2HB ASP 70 -5.706 8.150 -4.294 549 H LEU 71 H LEU 71 -4.563 5.862 -4.700 550 HA LEU 71 HA LEU 71 -1.820 6.593 -5.150 551 1HB LEU 71 1HB LEU 71 -3.090 4.313 -3.680 552 2HB LEU 71 2HB LEU 71 -1.350 4.446 -3.837 553 HG LEU 71 HG LEU 71 -3.085 6.534 -2.455 554 1HD1 LEU 71 1HD1 LEU 71 -3.210 4.419 -1.304 555 2HD1 LEU 71 2HD1 LEU 71 -2.216 5.578 -0.416 556 3HD1 LEU 71 3HD1 LEU 71 -1.455 4.284 -1.354 557 1HD2 LEU 71 1HD2 LEU 71 -0.115 6.031 -2.484 558 2HD2 LEU 71 2HD2 LEU 71 -0.955 7.293 -1.588 559 3HD2 LEU 71 3HD2 LEU 71 -0.924 7.337 -3.347 560 H GLY 72 H GLY 72 -3.919 4.590 -6.885 561 1HA GLY 72 1HA GLY 72 -3.446 3.495 -8.872 562 2HA GLY 72 2HA GLY 72 -1.730 3.715 -8.562 563 H VAL 73 H VAL 73 -3.656 2.421 -6.057 564 HA VAL 73 HA VAL 73 -2.234 -0.084 -6.143 565 HB VAL 73 HB VAL 73 -4.563 0.761 -4.391 566 1HG1 VAL 73 1HG1 VAL 73 -4.215 -1.630 -4.424 567 2HG1 VAL 73 2HG1 VAL 73 -3.769 -0.969 -2.850 568 3HG1 VAL 73 3HG1 VAL 73 -2.516 -1.413 -4.013 569 1HG2 VAL 73 1HG2 VAL 73 -2.904 1.325 -2.668 570 2HG2 VAL 73 2HG2 VAL 73 -2.718 2.323 -4.112 571 3HG2 VAL 73 3HG2 VAL 73 -1.611 0.988 -3.816 572 H ARG 74 H ARG 74 -3.063 -1.911 -7.054 573 HA ARG 74 HA ARG 74 -5.876 -1.853 -7.881 574 1HB ARG 74 1HB ARG 74 -3.562 -3.037 -9.425 575 2HB ARG 74 2HB ARG 74 -5.251 -3.150 -9.862 576 1HG ARG 74 1HG ARG 74 -3.681 -0.577 -9.715 577 2HG ARG 74 2HG ARG 74 -4.057 -1.463 -11.192 578 1HD ARG 74 1HD ARG 74 -6.049 -0.240 -9.285 579 2HD ARG 74 2HD ARG 74 -5.608 0.398 -10.862 580 HE ARG 74 HE ARG 74 -6.528 -2.280 -11.065 581 1HH1 ARG 74 1HH1 ARG 74 -7.656 1.053 -10.765 582 2HH1 ARG 74 2HH1 ARG 74 -9.203 0.741 -11.387 583 1HH2 ARG 74 1HH2 ARG 74 -8.658 -2.733 -11.897 584 2HH2 ARG 74 2HH2 ARG 74 -9.788 -1.469 -12.037 585 H ASP 75 H ASP 75 -6.433 -4.262 -8.553 586 HA ASP 75 HA ASP 75 -6.122 -5.719 -6.127 587 1HB ASP 75 1HB ASP 75 -7.511 -7.426 -7.246 588 2HB ASP 75 2HB ASP 75 -8.243 -5.830 -7.182 589 H GLY 76 H GLY 76 -5.230 -7.573 -5.828 590 1HA GLY 76 1HA GLY 76 -3.790 -9.403 -6.185 591 2HA GLY 76 2HA GLY 76 -3.643 -8.904 -7.863 592 H TYR 77 H TYR 77 -3.072 -6.314 -5.851 593 HA TYR 77 HA TYR 77 -0.187 -6.536 -6.264 594 1HB TYR 77 1HB TYR 77 -1.957 -4.198 -5.507 595 2HB TYR 77 2HB TYR 77 -0.202 -4.102 -5.497 596 HD1 TYR 77 HD1 TYR 77 0.366 -2.666 -7.268 597 HD2 TYR 77 HD2 TYR 77 -2.489 -5.722 -7.992 598 HE1 TYR 77 HE1 TYR 77 0.379 -2.109 -9.669 599 HE2 TYR 77 HE2 TYR 77 -2.488 -5.174 -10.380 600 HH TYR 77 HH TYR 77 -1.971 -3.314 -11.835 601 H ARG 78 H ARG 78 1.318 -6.142 -4.600 602 HA ARG 78 HA ARG 78 0.333 -7.390 -2.130 603 1HB ARG 78 1HB ARG 78 3.175 -7.304 -3.147 604 2HB ARG 78 2HB ARG 78 2.540 -8.292 -1.845 605 1HG ARG 78 1HG ARG 78 1.181 -9.533 -3.499 606 2HG ARG 78 2HG ARG 78 1.911 -8.566 -4.778 607 1HD ARG 78 1HD ARG 78 3.273 -10.516 -2.931 608 2HD ARG 78 2HD ARG 78 3.074 -10.647 -4.676 609 HE ARG 78 HE ARG 78 4.717 -8.601 -3.364 610 1HH1 ARG 78 1HH1 ARG 78 4.300 -10.943 -6.010 611 2HH1 ARG 78 2HH1 ARG 78 5.811 -10.637 -6.704 612 1HH2 ARG 78 1HH2 ARG 78 6.864 -8.251 -4.323 613 2HH2 ARG 78 2HH2 ARG 78 7.287 -9.110 -5.723 614 H ILE 79 H ILE 79 0.307 -6.161 -0.434 615 HA ILE 79 HA ILE 79 1.991 -3.773 -0.377 616 HB ILE 79 HB ILE 79 -0.592 -4.356 1.098 617 1HG1 ILE 79 1HG1 ILE 79 0.149 -2.323 -1.013 618 2HG1 ILE 79 2HG1 ILE 79 -0.918 -3.707 -1.210 619 1HG2 ILE 79 1HG2 ILE 79 -0.411 -2.131 2.091 620 2HG2 ILE 79 2HG2 ILE 79 1.173 -1.931 1.351 621 3HG2 ILE 79 3HG2 ILE 79 0.934 -3.161 2.592 622 1HD1 ILE 79 1HD1 ILE 79 -1.409 -1.284 0.499 623 2HD1 ILE 79 2HD1 ILE 79 -2.457 -2.683 0.418 624 3HD1 ILE 79 3HD1 ILE 79 -2.212 -1.682 -1.023 625 H HIS 80 H HIS 80 3.674 -3.925 0.752 626 HA HIS 80 HA HIS 80 3.846 -5.925 2.890 627 1HB HIS 80 1HB HIS 80 5.325 -6.480 1.084 628 2HB HIS 80 2HB HIS 80 5.881 -4.818 0.981 629 HD1 HIS 80 HD1 HIS 80 6.218 -7.897 3.173 630 HD2 HIS 80 HD2 HIS 80 7.932 -4.160 2.541 631 HE1 HIS 80 HE1 HIS 80 8.215 -7.864 4.639 632 HE2 HIS 80 HE2 HIS 80 9.476 -5.855 3.891 633 H ALA 81 H ALA 81 3.887 -5.120 4.846 634 HA ALA 81 HA ALA 81 4.895 -2.405 5.277 635 1HB ALA 81 1HB ALA 81 3.455 -4.282 7.153 636 2HB ALA 81 2HB ALA 81 2.720 -2.983 6.221 637 3HB ALA 81 3HB ALA 81 3.883 -2.601 7.495 638 H VAL 82 H VAL 82 6.636 -1.989 6.597 639 HA VAL 82 HA VAL 82 7.978 -4.263 7.782 640 HB VAL 82 HB VAL 82 8.978 -3.948 5.568 641 1HG1 VAL 82 1HG1 VAL 82 10.303 -1.954 5.041 642 2HG1 VAL 82 2HG1 VAL 82 9.715 -1.211 6.521 643 3HG1 VAL 82 3HG1 VAL 82 8.581 -1.588 5.216 644 1HG2 VAL 82 1HG2 VAL 82 10.778 -3.129 7.830 645 2HG2 VAL 82 2HG2 VAL 82 11.329 -3.704 6.263 646 3HG2 VAL 82 3HG2 VAL 82 10.417 -4.781 7.327 647 H ASP 83 H ASP 83 8.908 -3.830 9.639 648 HA ASP 83 HA ASP 83 8.602 -1.193 10.786 649 1HB ASP 83 1HB ASP 83 8.080 -3.006 12.268 650 2HB ASP 83 2HB ASP 83 9.641 -3.764 11.963 651 H VAL 84 H VAL 84 9.996 0.261 10.753 652 HA VAL 84 HA VAL 84 12.595 -0.148 9.584 653 HB VAL 84 HB VAL 84 11.378 2.361 10.720 654 1HG1 VAL 84 1HG1 VAL 84 12.976 3.557 9.282 655 2HG1 VAL 84 2HG1 VAL 84 13.666 2.010 8.791 656 3HG1 VAL 84 3HG1 VAL 84 13.804 2.543 10.470 657 1HG2 VAL 84 1HG2 VAL 84 9.990 1.429 8.973 658 2HG2 VAL 84 2HG2 VAL 84 11.378 1.334 7.892 659 3HG2 VAL 84 3HG2 VAL 84 10.769 2.905 8.415 660 H THR 85 H THR 85 11.309 0.209 12.813 661 HA THR 85 HA THR 85 13.619 1.199 14.052 662 HB THR 85 HB THR 85 11.334 -0.405 15.229 663 HG1 THR 85 HG1 THR 85 10.315 1.482 15.387 664 1HG2 THR 85 1HG2 THR 85 11.945 0.702 17.342 665 2HG2 THR 85 2HG2 THR 85 13.296 1.501 16.545 666 3HG2 THR 85 3HG2 THR 85 13.298 -0.252 16.736 667 H GLY 86 H GLY 86 12.558 -2.041 13.279 668 1HA GLY 86 1HA GLY 86 14.742 -3.274 14.733 669 2HA GLY 86 2HA GLY 86 13.555 -4.092 13.737 670 H GLY 87 H GLY 87 14.827 -1.509 12.047 671 1HA GLY 87 1HA GLY 87 16.272 -1.314 10.277 672 2HA GLY 87 2HA GLY 87 17.332 -2.394 11.169 673 H ASN 88 H ASN 88 14.128 -3.061 9.876 674 HA ASN 88 HA ASN 88 15.189 -5.503 8.768 675 1HB ASN 88 1HB ASN 88 12.352 -4.479 8.765 676 2HB ASN 88 2HB ASN 88 12.859 -6.075 8.230 677 1HD2 ASN 88 1HD2 ASN 88 12.171 -4.039 10.906 678 2HD2 ASN 88 2HD2 ASN 88 12.318 -5.241 12.127 679 H GLU 89 H GLU 89 15.686 -5.898 6.800 680 HA GLU 89 HA GLU 89 16.183 -5.781 4.707 681 1HB GLU 89 1HB GLU 89 14.397 -5.339 3.010 682 2HB GLU 89 2HB GLU 89 13.988 -6.512 4.239 683 1HG GLU 89 1HG GLU 89 12.717 -4.770 5.416 684 2HG GLU 89 2HG GLU 89 13.016 -3.657 4.074 685 H ASP 90 H ASP 90 15.290 -2.788 5.742 686 HA ASP 90 HA ASP 90 17.379 -1.670 4.043 687 1HB ASP 90 1HB ASP 90 15.261 -1.278 2.818 688 2HB ASP 90 2HB ASP 90 14.619 -0.432 4.221 Start of MODEL 10 1 H MET 1 H MET 1 -20.543 5.596 -6.765 2 HA MET 1 HA MET 1 -20.384 3.214 -6.324 3 1HB MET 1 1HB MET 1 -18.121 4.331 -8.012 4 2HB MET 1 2HB MET 1 -18.676 2.669 -8.055 5 1HG MET 1 1HG MET 1 -19.561 3.830 -9.949 6 2HG MET 1 2HG MET 1 -20.886 3.481 -8.843 7 1HE MET 1 1HE MET 1 -22.000 6.884 -10.431 8 2HE MET 1 2HE MET 1 -22.451 5.210 -10.097 9 3HE MET 1 3HE MET 1 -21.151 5.564 -11.237 10 H THR 2 H THR 2 -19.211 1.517 -5.545 11 HA THR 2 HA THR 2 -17.085 2.261 -3.709 12 HB THR 2 HB THR 2 -17.497 -0.018 -2.711 13 HG1 THR 2 HG1 THR 2 -19.550 0.003 -4.678 14 1HG2 THR 2 1HG2 THR 2 -19.607 0.610 -1.627 15 2HG2 THR 2 2HG2 THR 2 -19.871 1.838 -2.869 16 3HG2 THR 2 3HG2 THR 2 -18.527 2.000 -1.750 17 H GLU 3 H GLU 3 -15.024 1.446 -3.881 18 HA GLU 3 HA GLU 3 -14.595 -0.429 -6.048 19 1HB GLU 3 1HB GLU 3 -12.832 1.762 -5.060 20 2HB GLU 3 2HB GLU 3 -12.237 0.424 -6.036 21 1HG GLU 3 1HG GLU 3 -12.605 2.033 -7.567 22 2HG GLU 3 2HG GLU 3 -14.018 1.051 -7.662 23 H VAL 4 H VAL 4 -13.476 -2.176 -5.573 24 HA VAL 4 HA VAL 4 -12.304 -2.412 -2.928 25 HB VAL 4 HB VAL 4 -13.268 -4.761 -2.733 26 1HG1 VAL 4 1HG1 VAL 4 -15.447 -4.017 -1.890 27 2HG1 VAL 4 2HG1 VAL 4 -15.249 -2.478 -2.730 28 3HG1 VAL 4 3HG1 VAL 4 -14.164 -2.907 -1.408 29 1HG2 VAL 4 1HG2 VAL 4 -13.931 -5.069 -5.064 30 2HG2 VAL 4 2HG2 VAL 4 -15.092 -3.753 -4.922 31 3HG2 VAL 4 3HG2 VAL 4 -15.332 -5.238 -4.003 32 H TYR 5 H TYR 5 -10.588 -3.671 -2.827 33 HA TYR 5 HA TYR 5 -9.666 -4.993 -5.334 34 1HB TYR 5 1HB TYR 5 -7.350 -4.352 -4.704 35 2HB TYR 5 2HB TYR 5 -8.348 -2.969 -5.088 36 HD1 TYR 5 HD1 TYR 5 -7.396 -4.975 -2.146 37 HD2 TYR 5 HD2 TYR 5 -8.122 -1.122 -3.693 38 HE1 TYR 5 HE1 TYR 5 -6.717 -4.021 -0.007 39 HE2 TYR 5 HE2 TYR 5 -7.449 -0.139 -1.537 40 HH TYR 5 HH TYR 5 -7.305 -0.830 0.792 41 H ASP 6 H ASP 6 -8.866 -6.968 -5.233 42 HA ASP 6 HA ASP 6 -8.503 -8.155 -2.544 43 1HB ASP 6 1HB ASP 6 -8.370 -9.475 -5.234 44 2HB ASP 6 2HB ASP 6 -8.213 -10.305 -3.714 45 H LEU 7 H LEU 7 -6.537 -7.967 -1.800 46 HA LEU 7 HA LEU 7 -4.393 -8.294 -3.633 47 1HB LEU 7 1HB LEU 7 -3.073 -6.748 -2.198 48 2HB LEU 7 2HB LEU 7 -4.107 -6.052 -3.432 49 HG LEU 7 HG LEU 7 -5.647 -5.397 -1.653 50 1HD1 LEU 7 1HD1 LEU 7 -4.939 -5.498 0.686 51 2HD1 LEU 7 2HD1 LEU 7 -3.516 -6.445 0.221 52 3HD1 LEU 7 3HD1 LEU 7 -5.143 -7.117 0.016 53 1HD2 LEU 7 1HD2 LEU 7 -2.809 -4.515 -1.288 54 2HD2 LEU 7 2HD2 LEU 7 -4.231 -3.657 -0.697 55 3HD2 LEU 7 3HD2 LEU 7 -3.988 -3.869 -2.430 56 H GLU 8 H GLU 8 -2.353 -8.801 -2.739 57 HA GLU 8 HA GLU 8 -2.653 -10.667 -0.477 58 1HB GLU 8 1HB GLU 8 -2.040 -11.671 -2.646 59 2HB GLU 8 2HB GLU 8 -0.651 -10.603 -2.756 60 1HG GLU 8 1HG GLU 8 0.229 -11.631 -0.701 61 2HG GLU 8 2HG GLU 8 -1.124 -12.762 -0.727 62 H ILE 9 H ILE 9 -1.669 -10.136 1.272 63 HA ILE 9 HA ILE 9 0.072 -7.800 1.255 64 HB ILE 9 HB ILE 9 -1.379 -9.124 3.560 65 1HG1 ILE 9 1HG1 ILE 9 -2.034 -6.567 2.069 66 2HG1 ILE 9 2HG1 ILE 9 -2.916 -8.082 1.934 67 1HG2 ILE 9 1HG2 ILE 9 0.122 -6.496 3.440 68 2HG2 ILE 9 2HG2 ILE 9 0.638 -7.949 4.294 69 3HG2 ILE 9 3HG2 ILE 9 -0.803 -7.082 4.825 70 1HD1 ILE 9 1HD1 ILE 9 -2.675 -6.386 4.416 71 2HD1 ILE 9 2HD1 ILE 9 -3.576 -7.899 4.282 72 3HD1 ILE 9 3HD1 ILE 9 -4.079 -6.487 3.353 73 H THR 10 H THR 10 2.036 -7.929 1.901 74 HA THR 10 HA THR 10 3.045 -10.416 3.049 75 HB THR 10 HB THR 10 5.282 -9.641 2.079 76 HG1 THR 10 HG1 THR 10 3.492 -7.964 0.709 77 1HG2 THR 10 1HG2 THR 10 3.111 -10.570 0.218 78 2HG2 THR 10 2HG2 THR 10 4.114 -11.560 1.298 79 3HG2 THR 10 3HG2 THR 10 4.861 -10.714 -0.065 80 H THR 11 H THR 11 4.511 -10.174 4.746 81 HA THR 11 HA THR 11 4.867 -7.472 5.717 82 HB THR 11 HB THR 11 4.091 -9.704 7.500 83 HG1 THR 11 HG1 THR 11 2.448 -9.034 5.732 84 1HG2 THR 11 1HG2 THR 11 4.964 -7.730 8.580 85 2HG2 THR 11 2HG2 THR 11 3.249 -7.861 8.971 86 3HG2 THR 11 3HG2 THR 11 3.791 -6.708 7.754 87 H ASN 12 H ASN 12 6.364 -7.630 7.398 88 HA ASN 12 HA ASN 12 8.694 -9.168 6.747 89 1HB ASN 12 1HB ASN 12 9.747 -7.930 8.584 90 2HB ASN 12 2HB ASN 12 8.928 -6.887 7.424 91 1HD2 ASN 12 1HD2 ASN 12 9.674 -6.432 10.269 92 2HD2 ASN 12 2HD2 ASN 12 8.240 -5.971 11.069 93 H ALA 13 H ALA 13 6.073 -9.568 8.851 94 HA ALA 13 HA ALA 13 7.555 -11.545 10.343 95 1HB ALA 13 1HB ALA 13 5.863 -11.299 12.097 96 2HB ALA 13 2HB ALA 13 5.039 -10.077 11.113 97 3HB ALA 13 3HB ALA 13 6.679 -9.787 11.706 98 H THR 14 H THR 14 5.963 -11.608 7.658 99 HA THR 14 HA THR 14 4.304 -13.922 8.366 100 HB THR 14 HB THR 14 3.173 -13.563 6.168 101 HG1 THR 14 HG1 THR 14 5.060 -12.135 5.557 102 1HG2 THR 14 1HG2 THR 14 2.993 -11.281 8.150 103 2HG2 THR 14 2HG2 THR 14 2.057 -12.779 8.176 104 3HG2 THR 14 3HG2 THR 14 1.813 -11.609 6.887 105 H ASP 15 H ASP 15 4.962 -15.798 7.637 106 HA ASP 15 HA ASP 15 7.155 -15.936 5.716 107 1HB ASP 15 1HB ASP 15 5.760 -18.137 7.277 108 2HB ASP 15 2HB ASP 15 7.161 -18.363 6.243 109 H PHE 16 H PHE 16 3.778 -16.244 5.976 110 HA PHE 16 HA PHE 16 3.670 -17.075 3.195 111 1HB PHE 16 1HB PHE 16 2.957 -18.940 4.674 112 2HB PHE 16 2HB PHE 16 1.729 -17.897 5.373 113 HD1 PHE 16 HD1 PHE 16 2.811 -19.538 2.236 114 HD2 PHE 16 HD2 PHE 16 -0.376 -17.672 4.343 115 HE1 PHE 16 HE1 PHE 16 1.238 -20.266 0.492 116 HE2 PHE 16 HE2 PHE 16 -1.957 -18.398 2.599 117 HZ PHE 16 HZ PHE 16 -1.148 -19.696 0.672 118 HA PRO 17 HA PRO 17 1.627 -13.050 2.852 119 1HB PRO 17 1HB PRO 17 0.701 -14.196 0.292 120 2HB PRO 17 2HB PRO 17 1.631 -12.727 0.600 121 1HG PRO 17 1HG PRO 17 2.795 -14.849 -0.475 122 2HG PRO 17 2HG PRO 17 3.644 -13.866 0.729 123 1HD PRO 17 1HD PRO 17 2.280 -16.507 1.064 124 2HD PRO 17 2HD PRO 17 3.835 -15.912 1.708 125 H MET 18 H MET 18 -0.397 -12.173 2.899 126 HA MET 18 HA MET 18 -2.621 -14.085 3.245 127 1HB MET 18 1HB MET 18 -1.902 -13.156 5.391 128 2HB MET 18 2HB MET 18 -2.061 -11.530 4.753 129 1HG MET 18 1HG MET 18 -4.477 -11.872 4.507 130 2HG MET 18 2HG MET 18 -4.311 -13.490 5.177 131 1HE MET 18 1HE MET 18 -6.347 -11.358 6.346 132 2HE MET 18 2HE MET 18 -6.086 -11.536 8.081 133 3HE MET 18 3HE MET 18 -6.130 -12.964 7.046 134 H GLU 19 H GLU 19 -4.246 -13.774 1.857 135 HA GLU 19 HA GLU 19 -4.390 -11.298 0.335 136 1HB GLU 19 1HB GLU 19 -6.080 -13.806 0.183 137 2HB GLU 19 2HB GLU 19 -6.164 -12.453 -0.930 138 1HG GLU 19 1HG GLU 19 -3.891 -12.908 -1.670 139 2HG GLU 19 2HG GLU 19 -3.785 -14.255 -0.536 140 H LYS 20 H LYS 20 -5.975 -9.781 0.601 141 HA LYS 20 HA LYS 20 -8.289 -10.368 2.247 142 1HB LYS 20 1HB LYS 20 -6.161 -9.582 3.630 143 2HB LYS 20 2HB LYS 20 -6.627 -7.989 3.059 144 1HG LYS 20 1HG LYS 20 -8.274 -9.856 4.794 145 2HG LYS 20 2HG LYS 20 -7.435 -8.412 5.329 146 1HD LYS 20 1HD LYS 20 -8.946 -7.069 3.880 147 2HD LYS 20 2HD LYS 20 -9.805 -8.548 3.456 148 1HE LYS 20 1HE LYS 20 -9.523 -7.382 6.229 149 2HE LYS 20 2HE LYS 20 -10.973 -7.324 5.233 150 1HZ LYS 20 1HZ LYS 20 -11.096 -9.755 5.370 151 2HZ LYS 20 2HZ LYS 20 -11.092 -9.069 6.907 152 3HZ LYS 20 3HZ LYS 20 -9.702 -9.787 6.322 153 H LYS 21 H LYS 21 -9.924 -8.974 1.692 154 HA LYS 21 HA LYS 21 -9.412 -7.209 -0.598 155 1HB LYS 21 1HB LYS 21 -10.978 -9.167 -0.780 156 2HB LYS 21 2HB LYS 21 -12.006 -8.379 0.400 157 1HG LYS 21 1HG LYS 21 -12.425 -6.567 -1.158 158 2HG LYS 21 2HG LYS 21 -11.324 -7.304 -2.331 159 1HD LYS 21 1HD LYS 21 -12.759 -9.355 -2.263 160 2HD LYS 21 2HD LYS 21 -13.907 -8.455 -1.278 161 1HE LYS 21 1HE LYS 21 -14.600 -8.458 -3.598 162 2HE LYS 21 2HE LYS 21 -14.154 -6.828 -3.099 163 1HZ LYS 21 1HZ LYS 21 -13.260 -7.426 -5.309 164 2HZ LYS 21 2HZ LYS 21 -12.357 -8.665 -4.641 165 3HZ LYS 21 3HZ LYS 21 -12.024 -7.090 -4.232 166 H TYR 22 H TYR 22 -9.594 -5.056 -0.325 167 HA TYR 22 HA TYR 22 -11.186 -3.983 1.906 168 1HB TYR 22 1HB TYR 22 -8.405 -3.100 1.072 169 2HB TYR 22 2HB TYR 22 -9.451 -2.138 2.084 170 HD1 TYR 22 HD1 TYR 22 -9.881 -2.816 4.394 171 HD2 TYR 22 HD2 TYR 22 -7.180 -4.987 1.927 172 HE1 TYR 22 HE1 TYR 22 -8.896 -3.841 6.388 173 HE2 TYR 22 HE2 TYR 22 -6.194 -6.028 3.926 174 HH TYR 22 HH TYR 22 -7.656 -5.820 6.998 175 HA PRO 23 HA PRO 23 -12.614 -1.134 -1.254 176 1HB PRO 23 1HB PRO 23 -12.520 1.130 0.588 177 2HB PRO 23 2HB PRO 23 -13.931 0.346 -0.114 178 1HG PRO 23 1HG PRO 23 -13.324 0.151 2.509 179 2HG PRO 23 2HG PRO 23 -14.126 -1.140 1.603 180 1HD PRO 23 1HD PRO 23 -11.263 -0.897 2.420 181 2HD PRO 23 2HD PRO 23 -12.321 -2.328 2.424 182 H ALA 24 H ALA 24 -11.727 0.201 -2.705 183 HA ALA 24 HA ALA 24 -8.974 1.034 -2.337 184 1HB ALA 24 1HB ALA 24 -9.789 0.127 -4.503 185 2HB ALA 24 2HB ALA 24 -8.993 1.687 -4.646 186 3HB ALA 24 3HB ALA 24 -10.754 1.591 -4.709 187 H GLY 25 H GLY 25 -11.873 2.431 -1.638 188 1HA GLY 25 1HA GLY 25 -10.977 5.198 -1.953 189 2HA GLY 25 2HA GLY 25 -12.539 4.679 -1.333 190 H MET 26 H MET 26 -10.500 2.831 0.209 191 HA MET 26 HA MET 26 -10.652 4.171 2.719 192 1HB MET 26 1HB MET 26 -10.834 1.786 2.204 193 2HB MET 26 2HB MET 26 -9.130 1.694 1.804 194 1HG MET 26 1HG MET 26 -10.328 2.282 4.515 195 2HG MET 26 2HG MET 26 -9.817 0.701 3.967 196 1HE MET 26 1HE MET 26 -8.379 0.141 5.878 197 2HE MET 26 2HE MET 26 -9.022 1.605 6.619 198 3HE MET 26 3HE MET 26 -7.292 1.296 6.660 199 H SER 27 H SER 27 -8.661 4.685 3.972 200 HA SER 27 HA SER 27 -6.799 6.273 2.276 201 1HB SER 27 1HB SER 27 -6.925 6.333 5.297 202 2HB SER 27 2HB SER 27 -6.274 7.498 4.189 203 HG SER 27 HG SER 27 -8.127 8.201 4.917 204 H LEU 28 H LEU 28 -4.696 5.841 2.081 205 HA LEU 28 HA LEU 28 -3.588 3.349 2.797 206 1HB LEU 28 1HB LEU 28 -2.738 5.067 1.096 207 2HB LEU 28 2HB LEU 28 -2.043 5.898 2.431 208 HG LEU 28 HG LEU 28 -0.394 4.527 1.105 209 1HD1 LEU 28 1HD1 LEU 28 0.830 3.676 3.004 210 2HD1 LEU 28 2HD1 LEU 28 -0.631 3.761 3.988 211 3HD1 LEU 28 3HD1 LEU 28 0.105 5.243 3.379 212 1HD2 LEU 28 1HD2 LEU 28 -1.787 2.589 0.674 213 2HD2 LEU 28 2HD2 LEU 28 -1.806 2.203 2.398 214 3HD2 LEU 28 3HD2 LEU 28 -0.296 2.131 1.494 215 H ASN 29 H ASN 29 -3.477 6.388 4.427 216 HA ASN 29 HA ASN 29 -1.773 5.619 6.585 217 1HB ASN 29 1HB ASN 29 -3.893 7.755 6.535 218 2HB ASN 29 2HB ASN 29 -2.718 7.549 7.830 219 1HD2 ASN 29 1HD2 ASN 29 -3.188 9.796 6.035 220 2HD2 ASN 29 2HD2 ASN 29 -1.673 10.069 5.238 221 H ASP 30 H ASP 30 -5.293 5.401 6.175 222 HA ASP 30 HA ASP 30 -5.735 4.574 8.866 223 1HB ASP 30 1HB ASP 30 -7.411 5.625 7.217 224 2HB ASP 30 2HB ASP 30 -7.514 4.037 6.490 225 H LEU 31 H LEU 31 -5.133 3.077 5.795 226 HA LEU 31 HA LEU 31 -5.522 0.354 6.431 227 1HB LEU 31 1HB LEU 31 -5.120 1.516 4.147 228 2HB LEU 31 2HB LEU 31 -3.438 1.465 4.544 229 HG LEU 31 HG LEU 31 -5.164 -1.005 4.168 230 1HD1 LEU 31 1HD1 LEU 31 -3.158 0.267 2.323 231 2HD1 LEU 31 2HD1 LEU 31 -4.904 0.212 2.097 232 3HD1 LEU 31 3HD1 LEU 31 -3.965 -1.278 2.063 233 1HD2 LEU 31 1HD2 LEU 31 -3.231 -1.394 5.633 234 2HD2 LEU 31 2HD2 LEU 31 -2.165 -0.735 4.391 235 3HD2 LEU 31 3HD2 LEU 31 -3.055 -2.225 4.089 236 H LYS 32 H LYS 32 -2.648 2.409 6.571 237 HA LYS 32 HA LYS 32 -0.842 0.499 7.717 238 1HB LYS 32 1HB LYS 32 -0.821 3.461 8.400 239 2HB LYS 32 2HB LYS 32 0.519 2.336 8.484 240 1HG LYS 32 1HG LYS 32 0.336 2.128 5.988 241 2HG LYS 32 2HG LYS 32 -0.815 3.438 6.053 242 1HD LYS 32 1HD LYS 32 1.345 4.387 5.504 243 2HD LYS 32 2HD LYS 32 0.906 4.890 7.131 244 1HE LYS 32 1HE LYS 32 2.377 3.171 8.073 245 2HE LYS 32 2HE LYS 32 2.763 2.604 6.453 246 1HZ LYS 32 1HZ LYS 32 4.499 3.976 7.313 247 2HZ LYS 32 2HZ LYS 32 3.465 5.250 7.619 248 3HZ LYS 32 3HZ LYS 32 3.797 4.816 6.020 249 H LYS 33 H LYS 33 -2.995 2.855 9.282 250 HA LYS 33 HA LYS 33 -2.398 2.265 11.941 251 1HB LYS 33 1HB LYS 33 -3.585 4.117 10.781 252 2HB LYS 33 2HB LYS 33 -5.001 3.075 10.798 253 1HG LYS 33 1HG LYS 33 -4.931 2.929 13.165 254 2HG LYS 33 2HG LYS 33 -3.421 3.846 13.209 255 1HD LYS 33 1HD LYS 33 -6.038 4.763 12.187 256 2HD LYS 33 2HD LYS 33 -5.237 5.146 13.750 257 1HE LYS 33 1HE LYS 33 -3.408 6.268 12.530 258 2HE LYS 33 2HE LYS 33 -4.169 5.898 10.994 259 1HZ LYS 33 1HZ LYS 33 -6.035 7.301 11.626 260 2HZ LYS 33 2HZ LYS 33 -4.605 8.145 11.555 261 3HZ LYS 33 3HZ LYS 33 -5.256 7.733 13.065 262 H LYS 34 H LYS 34 -4.611 0.700 9.658 263 HA LYS 34 HA LYS 34 -5.929 -1.067 11.489 264 1HB LYS 34 1HB LYS 34 -6.549 -0.414 9.051 265 2HB LYS 34 2HB LYS 34 -5.288 -1.517 8.577 266 1HG LYS 34 1HG LYS 34 -7.336 -2.684 8.379 267 2HG LYS 34 2HG LYS 34 -6.492 -3.338 9.788 268 1HD LYS 34 1HD LYS 34 -8.847 -3.016 10.323 269 2HD LYS 34 2HD LYS 34 -7.830 -1.880 11.226 270 1HE LYS 34 1HE LYS 34 -8.367 -0.083 9.736 271 2HE LYS 34 2HE LYS 34 -9.220 -1.170 8.645 272 1HZ LYS 34 1HZ LYS 34 -10.878 -1.499 10.359 273 2HZ LYS 34 2HZ LYS 34 -10.695 0.134 9.994 274 3HZ LYS 34 3HZ LYS 34 -10.034 -0.479 11.416 275 H LEU 35 H LEU 35 -3.119 -1.324 9.339 276 HA LEU 35 HA LEU 35 -2.356 -3.933 10.047 277 1HB LEU 35 1HB LEU 35 -1.043 -1.563 8.855 278 2HB LEU 35 2HB LEU 35 -0.084 -2.974 9.060 279 HG LEU 35 HG LEU 35 -2.501 -2.574 7.297 280 1HD1 LEU 35 1HD1 LEU 35 -0.933 -3.132 5.500 281 2HD1 LEU 35 2HD1 LEU 35 0.361 -3.291 6.689 282 3HD1 LEU 35 3HD1 LEU 35 -0.408 -1.726 6.426 283 1HD2 LEU 35 1HD2 LEU 35 -2.686 -4.812 8.251 284 2HD2 LEU 35 2HD2 LEU 35 -1.012 -5.148 7.820 285 3HD2 LEU 35 3HD2 LEU 35 -2.215 -4.907 6.553 286 H GLU 36 H GLU 36 -1.545 -0.776 11.329 287 HA GLU 36 HA GLU 36 0.366 -1.550 13.118 288 1HB GLU 36 1HB GLU 36 -1.544 0.697 12.995 289 2HB GLU 36 2HB GLU 36 -0.371 0.589 14.280 290 1HG GLU 36 1HG GLU 36 0.182 0.700 11.330 291 2HG GLU 36 2HG GLU 36 0.503 1.988 12.497 292 H LEU 37 H LEU 37 -3.040 -1.715 13.328 293 HA LEU 37 HA LEU 37 -3.224 -2.244 16.084 294 1HB LEU 37 1HB LEU 37 -5.146 -1.752 14.635 295 2HB LEU 37 2HB LEU 37 -4.906 -3.242 13.789 296 HG LEU 37 HG LEU 37 -5.445 -4.504 15.867 297 1HD1 LEU 37 1HD1 LEU 37 -4.808 -2.841 17.510 298 2HD1 LEU 37 2HD1 LEU 37 -6.485 -3.338 17.739 299 3HD1 LEU 37 3HD1 LEU 37 -6.121 -1.792 16.971 300 1HD2 LEU 37 1HD2 LEU 37 -7.549 -2.540 14.978 301 2HD2 LEU 37 2HD2 LEU 37 -7.844 -4.054 15.833 302 3HD2 LEU 37 3HD2 LEU 37 -7.162 -4.076 14.206 303 H VAL 38 H VAL 38 -2.293 -4.151 13.372 304 HA VAL 38 HA VAL 38 -2.156 -6.646 14.864 305 HB VAL 38 HB VAL 38 -1.334 -6.042 12.007 306 1HG1 VAL 38 1HG1 VAL 38 -1.410 -8.473 11.674 307 2HG1 VAL 38 2HG1 VAL 38 -1.747 -8.681 13.393 308 3HG1 VAL 38 3HG1 VAL 38 -0.203 -8.006 12.876 309 1HG2 VAL 38 1HG2 VAL 38 -3.717 -5.677 12.314 310 2HG2 VAL 38 2HG2 VAL 38 -3.886 -7.263 13.064 311 3HG2 VAL 38 3HG2 VAL 38 -3.443 -7.135 11.360 312 H VAL 39 H VAL 39 0.033 -4.263 13.387 313 HA VAL 39 HA VAL 39 2.406 -5.758 14.110 314 HB VAL 39 HB VAL 39 2.226 -2.934 13.016 315 1HG1 VAL 39 1HG1 VAL 39 4.524 -3.303 12.268 316 2HG1 VAL 39 2HG1 VAL 39 4.513 -4.895 13.024 317 3HG1 VAL 39 3HG1 VAL 39 4.390 -3.446 14.023 318 1HG2 VAL 39 1HG2 VAL 39 2.659 -3.928 10.814 319 2HG2 VAL 39 2HG2 VAL 39 1.135 -4.498 11.499 320 3HG2 VAL 39 3HG2 VAL 39 2.561 -5.538 11.527 321 H GLY 40 H GLY 40 0.590 -3.141 15.600 322 1HA GLY 40 1HA GLY 40 0.736 -2.556 17.823 323 2HA GLY 40 2HA GLY 40 2.138 -3.589 17.988 324 H THR 41 H THR 41 3.039 -1.746 15.416 325 HA THR 41 HA THR 41 4.618 -0.057 17.101 326 HB THR 41 HB THR 41 5.495 0.606 14.775 327 HG1 THR 41 HG1 THR 41 3.779 -0.225 13.516 328 1HG2 THR 41 1HG2 THR 41 5.771 -2.250 15.720 329 2HG2 THR 41 2HG2 THR 41 6.723 -0.869 16.287 330 3HG2 THR 41 3HG2 THR 41 6.857 -1.407 14.612 331 H THR 42 H THR 42 5.014 2.239 15.686 332 HA THR 42 HA THR 42 2.345 3.363 15.470 333 HB THR 42 HB THR 42 4.821 5.017 15.742 334 HG1 THR 42 HG1 THR 42 3.640 3.295 17.576 335 1HG2 THR 42 1HG2 THR 42 1.986 5.374 16.738 336 2HG2 THR 42 2HG2 THR 42 2.638 6.068 15.266 337 3HG2 THR 42 3HG2 THR 42 3.273 6.578 16.837 338 H VAL 43 H VAL 43 2.244 5.053 13.808 339 HA VAL 43 HA VAL 43 2.574 3.744 11.347 340 HB VAL 43 HB VAL 43 1.793 6.628 11.808 341 1HG1 VAL 43 1HG1 VAL 43 0.638 6.483 9.645 342 2HG1 VAL 43 2HG1 VAL 43 1.291 4.862 9.413 343 3HG1 VAL 43 3HG1 VAL 43 2.376 6.247 9.475 344 1HG2 VAL 43 1HG2 VAL 43 -0.519 5.796 11.686 345 2HG2 VAL 43 2HG2 VAL 43 0.367 5.107 13.041 346 3HG2 VAL 43 3HG2 VAL 43 0.094 4.145 11.586 347 H ASP 44 H ASP 44 4.592 6.203 12.771 348 HA ASP 44 HA ASP 44 5.927 6.969 10.370 349 1HB ASP 44 1HB ASP 44 5.911 8.424 12.345 350 2HB ASP 44 2HB ASP 44 6.844 7.213 13.222 351 H SER 45 H SER 45 6.564 4.405 12.792 352 HA SER 45 HA SER 45 9.136 3.809 11.711 353 1HB SER 45 1HB SER 45 7.422 2.529 13.805 354 2HB SER 45 2HB SER 45 9.137 2.260 13.499 355 HG SER 45 HG SER 45 9.314 4.628 13.853 356 H MET 46 H MET 46 6.064 3.217 10.895 357 HA MET 46 HA MET 46 6.463 0.451 10.067 358 1HB MET 46 1HB MET 46 4.491 1.080 11.424 359 2HB MET 46 2HB MET 46 3.967 2.158 10.159 360 1HG MET 46 1HG MET 46 4.252 -0.822 9.866 361 2HG MET 46 2HG MET 46 2.762 -0.003 10.303 362 1HE MET 46 1HE MET 46 2.007 -1.292 6.781 363 2HE MET 46 2HE MET 46 1.443 -1.118 8.439 364 3HE MET 46 3HE MET 46 2.902 -2.048 8.104 365 H ARG 47 H ARG 47 6.971 0.040 8.010 366 HA ARG 47 HA ARG 47 6.789 2.228 6.071 367 1HB ARG 47 1HB ARG 47 9.058 1.521 6.849 368 2HB ARG 47 2HB ARG 47 8.719 -0.094 6.277 369 1HG ARG 47 1HG ARG 47 10.180 1.108 4.755 370 2HG ARG 47 2HG ARG 47 8.640 0.742 3.978 371 1HD ARG 47 1HD ARG 47 9.445 3.038 3.536 372 2HD ARG 47 2HD ARG 47 7.868 2.980 4.312 373 HE ARG 47 HE ARG 47 10.353 3.498 5.809 374 1HH1 ARG 47 1HH1 ARG 47 6.998 4.334 4.983 375 2HH1 ARG 47 2HH1 ARG 47 6.922 5.638 6.097 376 1HH2 ARG 47 1HH2 ARG 47 10.189 5.321 7.372 377 2HH2 ARG 47 2HH2 ARG 47 8.717 6.178 7.459 378 H ILE 48 H ILE 48 5.753 1.775 4.148 379 HA ILE 48 HA ILE 48 4.840 -0.971 3.743 380 HB ILE 48 HB ILE 48 3.374 1.613 3.226 381 1HG1 ILE 48 1HG1 ILE 48 2.674 -0.910 4.707 382 2HG1 ILE 48 2HG1 ILE 48 2.982 0.676 5.400 383 1HG2 ILE 48 1HG2 ILE 48 1.631 0.347 2.024 384 2HG2 ILE 48 2HG2 ILE 48 2.706 -1.059 2.041 385 3HG2 ILE 48 3HG2 ILE 48 3.173 0.392 1.162 386 1HD1 ILE 48 1HD1 ILE 48 0.963 1.517 4.268 387 2HD1 ILE 48 2HD1 ILE 48 0.616 0.198 5.398 388 3HD1 ILE 48 3HD1 ILE 48 0.653 -0.111 3.667 389 H GLN 49 H GLN 49 5.336 -1.858 1.952 390 HA GLN 49 HA GLN 49 6.238 -0.084 -0.131 391 1HB GLN 49 1HB GLN 49 7.219 -2.886 0.394 392 2HB GLN 49 2HB GLN 49 7.556 -2.011 -1.086 393 1HG GLN 49 1HG GLN 49 9.458 -1.652 0.110 394 2HG GLN 49 2HG GLN 49 8.535 -0.212 0.495 395 1HE2 GLN 49 1HE2 GLN 49 10.682 -1.369 1.904 396 2HE2 GLN 49 2HE2 GLN 49 10.146 -1.760 3.503 397 H LEU 50 H LEU 50 5.350 -0.266 -2.062 398 HA LEU 50 HA LEU 50 3.278 -2.341 -2.359 399 1HB LEU 50 1HB LEU 50 2.505 0.018 -2.565 400 2HB LEU 50 2HB LEU 50 3.629 0.274 -3.872 401 HG LEU 50 HG LEU 50 1.220 -1.614 -4.088 402 1HD1 LEU 50 1HD1 LEU 50 0.479 0.617 -3.652 403 2HD1 LEU 50 2HD1 LEU 50 0.156 0.161 -5.328 404 3HD1 LEU 50 3HD1 LEU 50 1.495 1.246 -4.948 405 1HD2 LEU 50 1HD2 LEU 50 1.583 -1.345 -6.490 406 2HD2 LEU 50 2HD2 LEU 50 3.005 -2.048 -5.725 407 3HD2 LEU 50 3HD2 LEU 50 2.996 -0.342 -6.178 408 H PHE 51 H PHE 51 3.513 -3.917 -3.741 409 HA PHE 51 HA PHE 51 5.761 -3.803 -5.589 410 1HB PHE 51 1HB PHE 51 4.585 -6.137 -4.091 411 2HB PHE 51 2HB PHE 51 5.687 -6.329 -5.444 412 HD1 PHE 51 HD1 PHE 51 5.368 -5.254 -1.947 413 HD2 PHE 51 HD2 PHE 51 8.014 -5.816 -5.223 414 HE1 PHE 51 HE1 PHE 51 7.303 -5.060 -0.433 415 HE2 PHE 51 HE2 PHE 51 9.938 -5.623 -3.716 416 HZ PHE 51 HZ PHE 51 9.581 -5.244 -1.319 417 H ASP 52 H ASP 52 5.475 -4.195 -7.603 418 HA ASP 52 HA ASP 52 3.200 -5.557 -8.651 419 1HB ASP 52 1HB ASP 52 2.311 -3.374 -8.687 420 2HB ASP 52 2HB ASP 52 3.792 -2.658 -9.385 421 H GLY 53 H GLY 53 3.645 -5.493 -11.048 422 1HA GLY 53 1HA GLY 53 5.105 -6.335 -12.730 423 2HA GLY 53 2HA GLY 53 6.428 -5.509 -11.880 424 H ASP 54 H ASP 54 4.163 -7.787 -10.676 425 HA ASP 54 HA ASP 54 4.213 -9.788 -9.759 426 1HB ASP 54 1HB ASP 54 5.327 -10.558 -11.799 427 2HB ASP 54 2HB ASP 54 6.879 -10.115 -11.104 428 H ASP 55 H ASP 55 7.633 -8.732 -9.477 429 HA ASP 55 HA ASP 55 7.260 -8.991 -6.628 430 1HB ASP 55 1HB ASP 55 8.358 -10.921 -7.639 431 2HB ASP 55 2HB ASP 55 9.682 -9.915 -8.143 432 H GLN 56 H GLN 56 8.000 -7.075 -9.051 433 HA GLN 56 HA GLN 56 10.366 -5.715 -8.247 434 1HB GLN 56 1HB GLN 56 8.193 -4.583 -9.951 435 2HB GLN 56 2HB GLN 56 9.846 -4.057 -9.853 436 1HG GLN 56 1HG GLN 56 10.638 -6.133 -10.822 437 2HG GLN 56 2HG GLN 56 8.976 -6.725 -10.904 438 1HE2 GLN 56 1HE2 GLN 56 8.963 -6.943 -13.111 439 2HE2 GLN 56 2HE2 GLN 56 8.988 -5.586 -14.171 440 H LEU 57 H LEU 57 10.642 -3.877 -7.228 441 HA LEU 57 HA LEU 57 8.600 -3.090 -5.345 442 1HB LEU 57 1HB LEU 57 10.859 -3.412 -4.519 443 2HB LEU 57 2HB LEU 57 11.457 -2.184 -5.616 444 HG LEU 57 HG LEU 57 10.185 -0.467 -4.397 445 1HD1 LEU 57 1HD1 LEU 57 8.349 -1.825 -3.594 446 2HD1 LEU 57 2HD1 LEU 57 9.152 -1.003 -2.256 447 3HD1 LEU 57 3HD1 LEU 57 9.449 -2.718 -2.543 448 1HD2 LEU 57 1HD2 LEU 57 11.522 -0.472 -2.350 449 2HD2 LEU 57 2HD2 LEU 57 12.488 -0.915 -3.756 450 3HD2 LEU 57 3HD2 LEU 57 11.944 -2.161 -2.631 451 H LYS 58 H LYS 58 7.219 -1.497 -5.696 452 HA LYS 58 HA LYS 58 7.833 0.530 -7.681 453 1HB LYS 58 1HB LYS 58 5.368 -0.020 -6.039 454 2HB LYS 58 2HB LYS 58 5.506 1.359 -7.111 455 1HG LYS 58 1HG LYS 58 5.707 -1.536 -7.976 456 2HG LYS 58 2HG LYS 58 4.257 -0.543 -8.108 457 1HD LYS 58 1HD LYS 58 5.461 1.005 -9.597 458 2HD LYS 58 2HD LYS 58 6.907 0.008 -9.468 459 1HE LYS 58 1HE LYS 58 5.752 -1.854 -10.513 460 2HE LYS 58 2HE LYS 58 4.254 -0.927 -10.564 461 1HZ LYS 58 1HZ LYS 58 6.754 -0.207 -12.014 462 2HZ LYS 58 2HZ LYS 58 5.278 0.607 -12.096 463 3HZ LYS 58 3HZ LYS 58 5.403 -0.943 -12.698 464 H GLY 59 H GLY 59 7.165 0.309 -4.224 465 1HA GLY 59 1HA GLY 59 9.039 1.769 -3.123 466 2HA GLY 59 2HA GLY 59 8.137 3.049 -3.918 467 H GLU 60 H GLU 60 7.947 3.893 -1.673 468 HA GLU 60 HA GLU 60 6.050 2.514 0.009 469 1HB GLU 60 1HB GLU 60 7.971 3.148 1.209 470 2HB GLU 60 2HB GLU 60 8.115 4.666 0.351 471 1HG GLU 60 1HG GLU 60 7.505 5.046 2.651 472 2HG GLU 60 2HG GLU 60 6.216 5.557 1.579 473 H LEU 61 H LEU 61 4.097 3.159 -0.036 474 HA LEU 61 HA LEU 61 3.275 5.602 -1.370 475 1HB LEU 61 1HB LEU 61 1.627 3.732 0.316 476 2HB LEU 61 2HB LEU 61 1.004 5.094 -0.597 477 HG LEU 61 HG LEU 61 2.283 2.621 -1.759 478 1HD1 LEU 61 1HD1 LEU 61 0.101 2.173 -0.842 479 2HD1 LEU 61 2HD1 LEU 61 0.018 2.184 -2.607 480 3HD1 LEU 61 3HD1 LEU 61 -0.570 3.560 -1.689 481 1HD2 LEU 61 1HD2 LEU 61 2.731 4.581 -3.145 482 2HD2 LEU 61 2HD2 LEU 61 1.023 5.007 -3.117 483 3HD2 LEU 61 3HD2 LEU 61 1.550 3.529 -3.926 484 H THR 62 H THR 62 1.921 5.028 1.511 485 HA THR 62 HA THR 62 1.904 6.069 3.525 486 HB THR 62 HB THR 62 4.600 6.452 2.616 487 HG1 THR 62 HG1 THR 62 4.289 4.853 3.804 488 1HG2 THR 62 1HG2 THR 62 3.747 8.345 4.849 489 2HG2 THR 62 2HG2 THR 62 4.404 8.768 3.246 490 3HG2 THR 62 3HG2 THR 62 5.411 7.914 4.402 491 H ASP 63 H ASP 63 1.294 7.623 0.854 492 HA ASP 63 HA ASP 63 0.928 10.304 1.652 493 1HB ASP 63 1HB ASP 63 -0.682 8.706 -0.362 494 2HB ASP 63 2HB ASP 63 -0.641 10.457 -0.243 495 H GLY 64 H GLY 64 -1.702 8.078 1.011 496 1HA GLY 64 1HA GLY 64 -3.482 7.359 2.218 497 2HA GLY 64 2HA GLY 64 -2.692 7.890 3.671 498 H ALA 65 H ALA 65 -2.949 10.680 1.927 499 HA ALA 65 HA ALA 65 -5.396 11.317 3.330 500 1HB ALA 65 1HB ALA 65 -4.992 13.611 2.649 501 2HB ALA 65 2HB ALA 65 -3.658 13.084 1.610 502 3HB ALA 65 3HB ALA 65 -3.551 12.894 3.369 503 H LYS 66 H LYS 66 -4.675 9.962 0.536 504 HA LYS 66 HA LYS 66 -7.192 10.770 -0.712 505 1HB LYS 66 1HB LYS 66 -6.136 10.268 -2.900 506 2HB LYS 66 2HB LYS 66 -5.373 11.620 -2.070 507 1HG LYS 66 1HG LYS 66 -3.533 10.197 -1.383 508 2HG LYS 66 2HG LYS 66 -4.333 8.803 -2.093 509 1HD LYS 66 1HD LYS 66 -2.557 9.681 -3.540 510 2HD LYS 66 2HD LYS 66 -4.138 9.767 -4.305 511 1HE LYS 66 1HE LYS 66 -4.260 12.149 -3.745 512 2HE LYS 66 2HE LYS 66 -2.675 12.046 -2.978 513 1HZ LYS 66 1HZ LYS 66 -1.720 11.431 -5.072 514 2HZ LYS 66 2HZ LYS 66 -2.578 12.874 -5.291 515 3HZ LYS 66 3HZ LYS 66 -3.241 11.392 -5.786 516 H SER 67 H SER 67 -7.565 8.758 -2.527 517 HA SER 67 HA SER 67 -7.932 6.595 -0.783 518 1HB SER 67 1HB SER 67 -9.032 5.683 -2.803 519 2HB SER 67 2HB SER 67 -9.741 7.158 -2.156 520 HG SER 67 HG SER 67 -9.463 7.911 -4.098 521 H LEU 68 H LEU 68 -7.502 4.578 -1.520 522 HA LEU 68 HA LEU 68 -4.779 4.082 -2.210 523 1HB LEU 68 1HB LEU 68 -7.190 2.324 -1.955 524 2HB LEU 68 2HB LEU 68 -5.551 1.731 -2.117 525 HG LEU 68 HG LEU 68 -6.419 3.533 0.136 526 1HD1 LEU 68 1HD1 LEU 68 -7.672 1.443 0.211 527 2HD1 LEU 68 2HD1 LEU 68 -6.507 1.579 1.522 528 3HD1 LEU 68 3HD1 LEU 68 -6.156 0.545 0.132 529 1HD2 LEU 68 1HD2 LEU 68 -4.021 1.781 -0.290 530 2HD2 LEU 68 2HD2 LEU 68 -4.409 2.656 1.181 531 3HD2 LEU 68 3HD2 LEU 68 -4.051 3.550 -0.297 532 H LYS 69 H LYS 69 -7.748 4.284 -3.784 533 HA LYS 69 HA LYS 69 -7.207 2.909 -6.213 534 1HB LYS 69 1HB LYS 69 -9.489 3.519 -5.481 535 2HB LYS 69 2HB LYS 69 -9.075 5.211 -5.668 536 1HG LYS 69 1HG LYS 69 -8.836 4.928 -8.062 537 2HG LYS 69 2HG LYS 69 -9.147 3.200 -7.905 538 1HD LYS 69 1HD LYS 69 -11.173 4.335 -8.637 539 2HD LYS 69 2HD LYS 69 -11.372 3.705 -7.002 540 1HE LYS 69 1HE LYS 69 -10.924 5.959 -6.101 541 2HE LYS 69 2HE LYS 69 -10.751 6.560 -7.743 542 1HZ LYS 69 1HZ LYS 69 -12.964 6.968 -6.802 543 2HZ LYS 69 2HZ LYS 69 -13.229 5.304 -6.685 544 3HZ LYS 69 3HZ LYS 69 -13.024 6.023 -8.192 545 H ASP 70 H ASP 70 -6.965 6.274 -5.231 546 HA ASP 70 HA ASP 70 -5.995 7.267 -7.720 547 1HB ASP 70 1HB ASP 70 -7.077 8.553 -5.791 548 2HB ASP 70 2HB ASP 70 -5.521 8.479 -5.016 549 H LEU 71 H LEU 71 -4.579 5.946 -4.883 550 HA LEU 71 HA LEU 71 -1.836 6.628 -5.446 551 1HB LEU 71 1HB LEU 71 -2.994 4.564 -3.582 552 2HB LEU 71 2HB LEU 71 -1.287 4.912 -3.703 553 HG LEU 71 HG LEU 71 -3.403 6.882 -2.752 554 1HD1 LEU 71 1HD1 LEU 71 -2.408 6.607 -0.607 555 2HD1 LEU 71 2HD1 LEU 71 -1.275 5.426 -1.247 556 3HD1 LEU 71 3HD1 LEU 71 -3.004 5.059 -1.205 557 1HD2 LEU 71 1HD2 LEU 71 -1.520 8.280 -2.198 558 2HD2 LEU 71 2HD2 LEU 71 -1.489 7.931 -3.926 559 3HD2 LEU 71 3HD2 LEU 71 -0.401 7.081 -2.830 560 H GLY 72 H GLY 72 -3.866 4.234 -6.706 561 1HA GLY 72 1HA GLY 72 -3.171 2.964 -8.621 562 2HA GLY 72 2HA GLY 72 -1.525 3.078 -8.037 563 H VAL 73 H VAL 73 -3.816 2.256 -5.648 564 HA VAL 73 HA VAL 73 -2.774 -0.448 -5.590 565 HB VAL 73 HB VAL 73 -4.699 0.935 -3.706 566 1HG1 VAL 73 1HG1 VAL 73 -3.142 -1.630 -3.379 567 2HG1 VAL 73 2HG1 VAL 73 -4.883 -1.490 -3.612 568 3HG1 VAL 73 3HG1 VAL 73 -4.137 -0.877 -2.134 569 1HG2 VAL 73 1HG2 VAL 73 -1.727 0.514 -3.431 570 2HG2 VAL 73 2HG2 VAL 73 -2.783 1.174 -2.181 571 3HG2 VAL 73 3HG2 VAL 73 -2.544 2.056 -3.692 572 H ARG 74 H ARG 74 -3.796 -1.813 -6.865 573 HA ARG 74 HA ARG 74 -6.733 -1.675 -7.103 574 1HB ARG 74 1HB ARG 74 -4.723 -2.485 -9.205 575 2HB ARG 74 2HB ARG 74 -6.465 -2.585 -9.376 576 1HG ARG 74 1HG ARG 74 -4.900 -0.049 -8.993 577 2HG ARG 74 2HG ARG 74 -5.479 -0.683 -10.536 578 1HD ARG 74 1HD ARG 74 -7.784 -0.536 -9.710 579 2HD ARG 74 2HD ARG 74 -7.187 0.135 -8.191 580 HE ARG 74 HE ARG 74 -6.125 1.785 -9.996 581 1HH1 ARG 74 1HH1 ARG 74 -9.466 0.647 -9.603 582 2HH1 ARG 74 2HH1 ARG 74 -10.136 2.081 -10.225 583 1HH2 ARG 74 1HH2 ARG 74 -7.077 3.722 -10.843 584 2HH2 ARG 74 2HH2 ARG 74 -8.773 3.847 -10.925 585 H ASP 75 H ASP 75 -7.341 -3.939 -8.214 586 HA ASP 75 HA ASP 75 -6.811 -5.955 -6.308 587 1HB ASP 75 1HB ASP 75 -7.831 -6.315 -9.117 588 2HB ASP 75 2HB ASP 75 -7.968 -7.439 -7.798 589 H GLY 76 H GLY 76 -5.548 -7.640 -6.482 590 1HA GLY 76 1HA GLY 76 -3.957 -9.142 -7.429 591 2HA GLY 76 2HA GLY 76 -3.930 -8.139 -8.865 592 H TYR 77 H TYR 77 -3.443 -5.856 -6.732 593 HA TYR 77 HA TYR 77 -0.554 -5.918 -7.061 594 1HB TYR 77 1HB TYR 77 -2.471 -3.883 -5.928 595 2HB TYR 77 2HB TYR 77 -0.729 -3.702 -5.765 596 HD1 TYR 77 HD1 TYR 77 0.435 -2.605 -7.392 597 HD2 TYR 77 HD2 TYR 77 -3.341 -4.243 -8.401 598 HE1 TYR 77 HE1 TYR 77 0.593 -1.558 -9.603 599 HE2 TYR 77 HE2 TYR 77 -3.199 -3.202 -10.628 600 HH TYR 77 HH TYR 77 -2.063 -1.323 -11.678 601 H ARG 78 H ARG 78 0.938 -5.640 -5.251 602 HA ARG 78 HA ARG 78 -0.228 -6.905 -2.914 603 1HB ARG 78 1HB ARG 78 2.442 -7.584 -4.133 604 2HB ARG 78 2HB ARG 78 1.833 -8.221 -2.609 605 1HG ARG 78 1HG ARG 78 -0.160 -9.082 -3.880 606 2HG ARG 78 2HG ARG 78 0.679 -8.629 -5.348 607 1HD ARG 78 1HD ARG 78 1.719 -10.552 -3.285 608 2HD ARG 78 2HD ARG 78 0.952 -11.001 -4.799 609 HE ARG 78 HE ARG 78 2.923 -9.504 -5.677 610 1HH1 ARG 78 1HH1 ARG 78 2.859 -12.122 -3.265 611 2HH1 ARG 78 2HH1 ARG 78 4.470 -12.588 -3.518 612 1HH2 ARG 78 1HH2 ARG 78 5.137 -10.213 -6.062 613 2HH2 ARG 78 2HH2 ARG 78 5.785 -11.493 -5.138 614 H ILE 79 H ILE 79 0.239 -6.195 -1.029 615 HA ILE 79 HA ILE 79 2.027 -3.890 -0.891 616 HB ILE 79 HB ILE 79 -0.526 -4.442 0.644 617 1HG1 ILE 79 1HG1 ILE 79 0.324 -2.197 -1.199 618 2HG1 ILE 79 2HG1 ILE 79 -0.846 -3.456 -1.555 619 1HG2 ILE 79 1HG2 ILE 79 -0.138 -2.383 1.912 620 2HG2 ILE 79 2HG2 ILE 79 1.436 -2.226 1.137 621 3HG2 ILE 79 3HG2 ILE 79 1.130 -3.579 2.229 622 1HD1 ILE 79 1HD1 ILE 79 -1.143 -1.294 0.522 623 2HD1 ILE 79 2HD1 ILE 79 -2.334 -2.548 0.173 624 3HD1 ILE 79 3HD1 ILE 79 -1.928 -1.343 -1.054 625 H HIS 80 H HIS 80 3.559 -3.819 0.553 626 HA HIS 80 HA HIS 80 3.910 -6.123 2.326 627 1HB HIS 80 1HB HIS 80 5.618 -6.042 0.625 628 2HB HIS 80 2HB HIS 80 5.911 -4.337 0.953 629 HD1 HIS 80 HD1 HIS 80 6.529 -7.761 2.390 630 HD2 HIS 80 HD2 HIS 80 7.613 -3.811 2.985 631 HE1 HIS 80 HE1 HIS 80 8.205 -7.856 4.191 632 HE2 HIS 80 HE2 HIS 80 9.207 -5.512 4.105 633 H ALA 81 H ALA 81 4.188 -5.765 4.417 634 HA ALA 81 HA ALA 81 4.412 -2.994 5.399 635 1HB ALA 81 1HB ALA 81 2.233 -3.915 5.881 636 2HB ALA 81 2HB ALA 81 3.164 -3.860 7.393 637 3HB ALA 81 3HB ALA 81 2.959 -5.372 6.526 638 H VAL 82 H VAL 82 6.081 -2.568 6.745 639 HA VAL 82 HA VAL 82 7.352 -4.701 8.198 640 HB VAL 82 HB VAL 82 8.407 -4.730 6.040 641 1HG1 VAL 82 1HG1 VAL 82 9.762 -2.886 5.180 642 2HG1 VAL 82 2HG1 VAL 82 9.240 -1.912 6.544 643 3HG1 VAL 82 3HG1 VAL 82 8.054 -2.431 5.335 644 1HG2 VAL 82 1HG2 VAL 82 9.804 -5.278 7.996 645 2HG2 VAL 82 2HG2 VAL 82 10.247 -3.583 8.144 646 3HG2 VAL 82 3HG2 VAL 82 10.768 -4.508 6.739 647 H ASP 83 H ASP 83 8.102 -3.927 10.192 648 HA ASP 83 HA ASP 83 8.015 -1.109 10.562 649 1HB ASP 83 1HB ASP 83 8.255 -1.700 12.865 650 2HB ASP 83 2HB ASP 83 6.871 -2.557 12.188 651 H VAL 84 H VAL 84 9.846 0.059 11.004 652 HA VAL 84 HA VAL 84 12.344 -1.238 10.377 653 HB VAL 84 HB VAL 84 13.317 0.978 10.444 654 1HG1 VAL 84 1HG1 VAL 84 10.713 0.935 8.931 655 2HG1 VAL 84 2HG1 VAL 84 12.260 0.299 8.371 656 3HG1 VAL 84 3HG1 VAL 84 12.052 2.036 8.609 657 1HG2 VAL 84 1HG2 VAL 84 12.066 1.952 12.291 658 2HG2 VAL 84 2HG2 VAL 84 10.597 1.965 11.315 659 3HG2 VAL 84 3HG2 VAL 84 11.960 2.992 10.872 660 H THR 85 H THR 85 10.535 -0.734 13.098 661 HA THR 85 HA THR 85 12.413 0.000 15.032 662 HB THR 85 HB THR 85 9.922 -1.673 15.395 663 HG1 THR 85 HG1 THR 85 9.169 0.689 15.805 664 1HG2 THR 85 1HG2 THR 85 11.312 0.334 17.194 665 2HG2 THR 85 2HG2 THR 85 11.364 -1.416 17.386 666 3HG2 THR 85 3HG2 THR 85 9.838 -0.555 17.581 667 H GLY 86 H GLY 86 11.481 -3.099 13.653 668 1HA GLY 86 1HA GLY 86 13.157 -4.527 15.551 669 2HA GLY 86 2HA GLY 86 12.153 -5.247 14.302 670 H GLY 87 H GLY 87 13.846 -2.775 12.911 671 1HA GLY 87 1HA GLY 87 15.624 -2.714 11.430 672 2HA GLY 87 2HA GLY 87 16.414 -3.877 12.494 673 H ASN 88 H ASN 88 13.375 -4.420 10.906 674 HA ASN 88 HA ASN 88 14.356 -6.867 9.867 675 1HB ASN 88 1HB ASN 88 11.655 -5.563 9.752 676 2HB ASN 88 2HB ASN 88 12.002 -7.051 8.881 677 1HD2 ASN 88 1HD2 ASN 88 13.668 -8.288 10.812 678 2HD2 ASN 88 2HD2 ASN 88 12.697 -8.669 12.173 679 H GLU 89 H GLU 89 14.401 -7.567 7.825 680 HA GLU 89 HA GLU 89 14.963 -7.620 5.738 681 1HB GLU 89 1HB GLU 89 13.566 -4.966 5.392 682 2HB GLU 89 2HB GLU 89 14.096 -6.016 4.079 683 1HG GLU 89 1HG GLU 89 12.640 -7.803 5.006 684 2HG GLU 89 2HG GLU 89 12.017 -6.634 6.161 685 H ASP 90 H ASP 90 16.922 -7.606 6.702 686 HA ASP 90 HA ASP 90 18.831 -6.131 5.261 687 1HB ASP 90 1HB ASP 90 18.355 -4.491 7.062 688 2HB ASP 90 2HB ASP 90 18.675 -5.711 8.272 Start of MODEL 11 1 H MET 1 H MET 1 -20.366 0.621 -9.010 2 HA MET 1 HA MET 1 -19.177 -1.266 -9.868 3 1HB MET 1 1HB MET 1 -16.760 0.535 -9.542 4 2HB MET 1 2HB MET 1 -16.698 -1.184 -9.849 5 1HG MET 1 1HG MET 1 -17.764 -0.811 -12.029 6 2HG MET 1 2HG MET 1 -17.800 0.915 -11.694 7 1HE MET 1 1HE MET 1 -14.878 -1.621 -10.768 8 2HE MET 1 2HE MET 1 -13.872 -1.488 -12.207 9 3HE MET 1 3HE MET 1 -15.472 -2.213 -12.320 10 H THR 2 H THR 2 -18.120 -2.751 -8.365 11 HA THR 2 HA THR 2 -18.348 -1.905 -5.648 12 HB THR 2 HB THR 2 -17.273 -4.191 -5.223 13 HG1 THR 2 HG1 THR 2 -16.234 -4.228 -7.307 14 1HG2 THR 2 1HG2 THR 2 -19.257 -5.474 -5.918 15 2HG2 THR 2 2HG2 THR 2 -19.733 -4.153 -6.984 16 3HG2 THR 2 3HG2 THR 2 -19.715 -3.912 -5.238 17 H GLU 3 H GLU 3 -16.802 -0.714 -4.674 18 HA GLU 3 HA GLU 3 -14.384 -0.393 -6.222 19 1HB GLU 3 1HB GLU 3 -15.865 1.557 -6.058 20 2HB GLU 3 2HB GLU 3 -15.777 1.485 -4.314 21 1HG GLU 3 1HG GLU 3 -13.470 2.034 -4.372 22 2HG GLU 3 2HG GLU 3 -13.461 2.019 -6.148 23 H VAL 4 H VAL 4 -13.848 -2.367 -5.172 24 HA VAL 4 HA VAL 4 -12.433 -1.815 -2.741 25 HB VAL 4 HB VAL 4 -13.004 -4.093 -1.819 26 1HG1 VAL 4 1HG1 VAL 4 -15.307 -2.195 -2.206 27 2HG1 VAL 4 2HG1 VAL 4 -14.113 -2.158 -0.900 28 3HG1 VAL 4 3HG1 VAL 4 -15.245 -3.500 -1.026 29 1HG2 VAL 4 1HG2 VAL 4 -15.023 -5.227 -2.665 30 2HG2 VAL 4 2HG2 VAL 4 -13.740 -5.174 -3.875 31 3HG2 VAL 4 3HG2 VAL 4 -15.104 -4.063 -3.989 32 H TYR 5 H TYR 5 -10.550 -3.074 -2.541 33 HA TYR 5 HA TYR 5 -9.853 -4.861 -4.815 34 1HB TYR 5 1HB TYR 5 -8.003 -3.041 -3.258 35 2HB TYR 5 2HB TYR 5 -7.526 -4.158 -4.523 36 HD1 TYR 5 HD1 TYR 5 -7.781 -0.867 -3.875 37 HD2 TYR 5 HD2 TYR 5 -9.199 -3.646 -6.755 38 HE1 TYR 5 HE1 TYR 5 -8.009 0.943 -5.514 39 HE2 TYR 5 HE2 TYR 5 -9.422 -1.833 -8.395 40 HH TYR 5 HH TYR 5 -9.758 0.573 -8.342 41 H ASP 6 H ASP 6 -9.039 -6.813 -4.273 42 HA ASP 6 HA ASP 6 -8.656 -7.304 -1.425 43 1HB ASP 6 1HB ASP 6 -8.618 -9.208 -3.755 44 2HB ASP 6 2HB ASP 6 -8.386 -9.691 -2.093 45 H LEU 7 H LEU 7 -6.803 -7.101 -0.681 46 HA LEU 7 HA LEU 7 -4.530 -6.845 -2.477 47 1HB LEU 7 1HB LEU 7 -4.959 -5.848 0.322 48 2HB LEU 7 2HB LEU 7 -3.440 -5.753 -0.527 49 HG LEU 7 HG LEU 7 -4.606 -4.261 -2.219 50 1HD1 LEU 7 1HD1 LEU 7 -6.778 -4.240 -0.147 51 2HD1 LEU 7 2HD1 LEU 7 -6.897 -4.874 -1.786 52 3HD1 LEU 7 3HD1 LEU 7 -6.642 -3.147 -1.521 53 1HD2 LEU 7 1HD2 LEU 7 -4.484 -3.380 0.636 54 2HD2 LEU 7 2HD2 LEU 7 -4.559 -2.303 -0.764 55 3HD2 LEU 7 3HD2 LEU 7 -3.164 -3.361 -0.535 56 H GLU 8 H GLU 8 -2.549 -7.678 -1.888 57 HA GLU 8 HA GLU 8 -2.584 -9.975 -0.041 58 1HB GLU 8 1HB GLU 8 -2.126 -10.494 -2.388 59 2HB GLU 8 2HB GLU 8 -0.845 -9.283 -2.410 60 1HG GLU 8 1HG GLU 8 0.439 -10.625 -0.838 61 2HG GLU 8 2HG GLU 8 -0.870 -11.806 -0.768 62 H ILE 9 H ILE 9 -1.743 -9.472 1.729 63 HA ILE 9 HA ILE 9 0.119 -7.228 1.851 64 HB ILE 9 HB ILE 9 -1.400 -8.522 4.121 65 1HG1 ILE 9 1HG1 ILE 9 -2.475 -6.211 4.347 66 2HG1 ILE 9 2HG1 ILE 9 -1.742 -5.803 2.811 67 1HG2 ILE 9 1HG2 ILE 9 0.491 -6.183 4.237 68 2HG2 ILE 9 2HG2 ILE 9 0.739 -7.777 4.944 69 3HG2 ILE 9 3HG2 ILE 9 -0.532 -6.722 5.570 70 1HD1 ILE 9 1HD1 ILE 9 -4.084 -6.373 2.568 71 2HD1 ILE 9 2HD1 ILE 9 -3.791 -7.959 3.288 72 3HD1 ILE 9 3HD1 ILE 9 -3.070 -7.549 1.732 73 H THR 10 H THR 10 2.042 -7.448 2.306 74 HA THR 10 HA THR 10 3.127 -9.984 3.307 75 HB THR 10 HB THR 10 5.232 -9.280 2.021 76 HG1 THR 10 HG1 THR 10 3.414 -7.387 1.156 77 1HG2 THR 10 1HG2 THR 10 3.842 -11.121 1.353 78 2HG2 THR 10 2HG2 THR 10 4.459 -10.255 -0.066 79 3HG2 THR 10 3HG2 THR 10 2.773 -10.031 0.462 80 H THR 11 H THR 11 5.023 -9.700 4.701 81 HA THR 11 HA THR 11 5.416 -6.981 5.684 82 HB THR 11 HB THR 11 4.852 -9.129 7.600 83 HG1 THR 11 HG1 THR 11 2.857 -9.066 6.680 84 1HG2 THR 11 1HG2 THR 11 4.163 -7.230 9.092 85 2HG2 THR 11 2HG2 THR 11 4.571 -6.118 7.783 86 3HG2 THR 11 3HG2 THR 11 5.820 -7.120 8.511 87 H ASN 12 H ASN 12 6.845 -6.858 6.981 88 HA ASN 12 HA ASN 12 9.436 -7.586 6.327 89 1HB ASN 12 1HB ASN 12 8.947 -5.606 7.489 90 2HB ASN 12 2HB ASN 12 8.279 -6.469 8.856 91 1HD2 ASN 12 1HD2 ASN 12 9.608 -5.443 10.322 92 2HD2 ASN 12 2HD2 ASN 12 11.297 -5.681 10.390 93 H ALA 13 H ALA 13 7.353 -9.036 8.668 94 HA ALA 13 HA ALA 13 9.486 -10.922 9.143 95 1HB ALA 13 1HB ALA 13 9.020 -10.981 11.510 96 2HB ALA 13 2HB ALA 13 7.699 -9.816 11.282 97 3HB ALA 13 3HB ALA 13 9.371 -9.346 10.938 98 H THR 14 H THR 14 6.913 -10.884 7.581 99 HA THR 14 HA THR 14 5.848 -13.387 8.707 100 HB THR 14 HB THR 14 3.722 -12.891 7.558 101 HG1 THR 14 HG1 THR 14 4.914 -11.415 6.090 102 1HG2 THR 14 1HG2 THR 14 2.960 -11.071 9.041 103 2HG2 THR 14 2HG2 THR 14 4.640 -10.695 9.428 104 3HG2 THR 14 3HG2 THR 14 3.948 -12.247 9.905 105 H ASP 15 H ASP 15 6.076 -15.091 7.425 106 HA ASP 15 HA ASP 15 7.095 -14.648 4.733 107 1HB ASP 15 1HB ASP 15 8.293 -16.298 6.065 108 2HB ASP 15 2HB ASP 15 6.796 -17.179 6.354 109 H PHE 16 H PHE 16 4.249 -15.590 6.368 110 HA PHE 16 HA PHE 16 2.978 -16.506 3.927 111 1HB PHE 16 1HB PHE 16 2.531 -17.776 5.991 112 2HB PHE 16 2HB PHE 16 1.954 -16.297 6.748 113 HD1 PHE 16 HD1 PHE 16 -0.304 -15.691 6.615 114 HD2 PHE 16 HD2 PHE 16 1.224 -18.670 3.987 115 HE1 PHE 16 HE1 PHE 16 -2.589 -16.189 5.854 116 HE2 PHE 16 HE2 PHE 16 -1.058 -19.170 3.222 117 HZ PHE 16 HZ PHE 16 -2.966 -17.929 4.153 118 HA PRO 17 HA PRO 17 1.438 -12.344 3.383 119 1HB PRO 17 1HB PRO 17 0.260 -12.746 0.990 120 2HB PRO 17 2HB PRO 17 2.015 -12.608 1.163 121 1HG PRO 17 1HG PRO 17 0.333 -15.027 0.755 122 2HG PRO 17 2HG PRO 17 1.969 -14.688 0.172 123 1HD PRO 17 1HD PRO 17 1.318 -16.267 2.385 124 2HD PRO 17 2HD PRO 17 2.916 -15.587 2.062 125 H MET 18 H MET 18 -0.530 -11.345 3.551 126 HA MET 18 HA MET 18 -2.763 -13.123 4.321 127 1HB MET 18 1HB MET 18 -1.859 -11.829 6.195 128 2HB MET 18 2HB MET 18 -2.101 -10.336 5.294 129 1HG MET 18 1HG MET 18 -4.539 -10.788 5.295 130 2HG MET 18 2HG MET 18 -4.248 -12.203 6.294 131 1HE MET 18 1HE MET 18 -1.899 -11.133 8.227 132 2HE MET 18 2HE MET 18 -3.273 -12.082 8.785 133 3HE MET 18 3HE MET 18 -2.858 -10.573 9.597 134 H GLU 19 H GLU 19 -4.705 -12.802 3.341 135 HA GLU 19 HA GLU 19 -4.792 -10.664 1.371 136 1HB GLU 19 1HB GLU 19 -6.616 -11.929 0.354 137 2HB GLU 19 2HB GLU 19 -5.118 -12.847 0.457 138 1HG GLU 19 1HG GLU 19 -6.021 -14.023 2.426 139 2HG GLU 19 2HG GLU 19 -7.521 -13.114 2.250 140 H LYS 20 H LYS 20 -6.106 -8.982 1.625 141 HA LYS 20 HA LYS 20 -8.398 -9.171 3.355 142 1HB LYS 20 1HB LYS 20 -6.106 -7.269 3.614 143 2HB LYS 20 2HB LYS 20 -7.717 -6.904 4.198 144 1HG LYS 20 1HG LYS 20 -5.999 -9.236 5.087 145 2HG LYS 20 2HG LYS 20 -6.209 -7.739 5.996 146 1HD LYS 20 1HD LYS 20 -8.605 -8.187 6.205 147 2HD LYS 20 2HD LYS 20 -8.425 -9.657 5.256 148 1HE LYS 20 1HE LYS 20 -8.559 -10.167 7.618 149 2HE LYS 20 2HE LYS 20 -6.976 -10.591 6.976 150 1HZ LYS 20 1HZ LYS 20 -6.069 -8.596 7.961 151 2HZ LYS 20 2HZ LYS 20 -6.864 -9.504 9.128 152 3HZ LYS 20 3HZ LYS 20 -7.599 -8.129 8.503 153 H LYS 21 H LYS 21 -9.950 -7.609 2.902 154 HA LYS 21 HA LYS 21 -9.772 -6.521 0.190 155 1HB LYS 21 1HB LYS 21 -11.609 -8.108 0.769 156 2HB LYS 21 2HB LYS 21 -12.167 -6.961 1.978 157 1HG LYS 21 1HG LYS 21 -12.532 -5.316 0.160 158 2HG LYS 21 2HG LYS 21 -12.090 -6.560 -1.007 159 1HD LYS 21 1HD LYS 21 -14.417 -6.636 0.921 160 2HD LYS 21 2HD LYS 21 -14.513 -6.399 -0.816 161 1HE LYS 21 1HE LYS 21 -13.561 -8.895 0.604 162 2HE LYS 21 2HE LYS 21 -15.105 -8.687 -0.209 163 1HZ LYS 21 1HZ LYS 21 -13.817 -8.375 -2.325 164 2HZ LYS 21 2HZ LYS 21 -13.658 -9.874 -1.615 165 3HZ LYS 21 3HZ LYS 21 -12.404 -8.801 -1.481 166 H TYR 22 H TYR 22 -9.714 -4.342 -0.055 167 HA TYR 22 HA TYR 22 -10.689 -2.712 2.131 168 1HB TYR 22 1HB TYR 22 -7.971 -2.369 0.837 169 2HB TYR 22 2HB TYR 22 -8.749 -1.117 1.793 170 HD1 TYR 22 HD1 TYR 22 -6.686 -4.048 1.885 171 HD2 TYR 22 HD2 TYR 22 -9.343 -1.672 4.203 172 HE1 TYR 22 HE1 TYR 22 -5.771 -5.029 3.937 173 HE2 TYR 22 HE2 TYR 22 -8.433 -2.645 6.259 174 HH TYR 22 HH TYR 22 -5.578 -4.438 6.332 175 HA PRO 23 HA PRO 23 -12.797 -0.624 -1.168 176 1HB PRO 23 1HB PRO 23 -12.626 1.742 0.597 177 2HB PRO 23 2HB PRO 23 -14.048 0.955 -0.088 178 1HG PRO 23 1HG PRO 23 -13.467 0.732 2.503 179 2HG PRO 23 2HG PRO 23 -14.158 -0.610 1.577 180 1HD PRO 23 1HD PRO 23 -11.345 -0.194 2.477 181 2HD PRO 23 2HD PRO 23 -12.313 -1.684 2.385 182 H ALA 24 H ALA 24 -12.164 0.569 -2.842 183 HA ALA 24 HA ALA 24 -9.461 1.378 -3.042 184 1HB ALA 24 1HB ALA 24 -11.656 2.225 -4.918 185 2HB ALA 24 2HB ALA 24 -10.898 0.642 -4.941 186 3HB ALA 24 3HB ALA 24 -9.932 2.070 -5.266 187 H GLY 25 H GLY 25 -12.203 2.977 -2.015 188 1HA GLY 25 1HA GLY 25 -11.061 5.650 -2.286 189 2HA GLY 25 2HA GLY 25 -12.661 5.266 -1.668 190 H MET 26 H MET 26 -10.563 3.214 -0.174 191 HA MET 26 HA MET 26 -10.683 4.713 2.278 192 1HB MET 26 1HB MET 26 -11.087 2.306 2.235 193 2HB MET 26 2HB MET 26 -9.468 2.006 1.633 194 1HG MET 26 1HG MET 26 -9.345 1.436 3.880 195 2HG MET 26 2HG MET 26 -8.709 3.070 3.859 196 1HE MET 26 1HE MET 26 -10.058 5.211 4.841 197 2HE MET 26 2HE MET 26 -11.606 5.076 5.651 198 3HE MET 26 3HE MET 26 -11.547 4.958 3.905 199 H SER 27 H SER 27 -8.758 5.210 3.528 200 HA SER 27 HA SER 27 -6.535 6.160 1.916 201 1HB SER 27 1HB SER 27 -5.828 7.062 4.102 202 2HB SER 27 2HB SER 27 -7.401 7.654 3.600 203 HG SER 27 HG SER 27 -7.492 7.027 5.743 204 H LEU 28 H LEU 28 -4.522 5.586 2.143 205 HA LEU 28 HA LEU 28 -3.900 2.894 2.682 206 1HB LEU 28 1HB LEU 28 -2.645 4.567 1.288 207 2HB LEU 28 2HB LEU 28 -2.054 5.234 2.768 208 HG LEU 28 HG LEU 28 -0.984 3.085 3.356 209 1HD1 LEU 28 1HD1 LEU 28 -0.645 1.415 1.611 210 2HD1 LEU 28 2HD1 LEU 28 -1.724 2.306 0.545 211 3HD1 LEU 28 3HD1 LEU 28 -2.353 1.574 2.028 212 1HD2 LEU 28 1HD2 LEU 28 0.866 3.311 1.788 213 2HD2 LEU 28 2HD2 LEU 28 0.278 4.882 2.342 214 3HD2 LEU 28 3HD2 LEU 28 -0.147 4.298 0.736 215 H ASN 29 H ASN 29 -3.866 5.797 4.514 216 HA ASN 29 HA ASN 29 -2.286 4.820 6.707 217 1HB ASN 29 1HB ASN 29 -4.061 7.260 6.551 218 2HB ASN 29 2HB ASN 29 -3.119 6.841 7.977 219 1HD2 ASN 29 1HD2 ASN 29 -2.898 9.173 6.137 220 2HD2 ASN 29 2HD2 ASN 29 -1.276 9.133 5.572 221 H ASP 30 H ASP 30 -5.704 4.673 6.111 222 HA ASP 30 HA ASP 30 -6.284 3.738 8.766 223 1HB ASP 30 1HB ASP 30 -7.980 4.731 7.159 224 2HB ASP 30 2HB ASP 30 -7.862 3.245 6.252 225 H LEU 31 H LEU 31 -5.459 2.429 5.710 226 HA LEU 31 HA LEU 31 -5.944 -0.316 6.215 227 1HB LEU 31 1HB LEU 31 -5.626 0.859 3.977 228 2HB LEU 31 2HB LEU 31 -3.938 0.943 4.348 229 HG LEU 31 HG LEU 31 -5.394 -1.695 4.008 230 1HD1 LEU 31 1HD1 LEU 31 -4.382 -1.747 1.789 231 2HD1 LEU 31 2HD1 LEU 31 -3.775 -0.110 2.026 232 3HD1 LEU 31 3HD1 LEU 31 -5.512 -0.409 1.959 233 1HD2 LEU 31 1HD2 LEU 31 -3.155 -2.597 3.682 234 2HD2 LEU 31 2HD2 LEU 31 -3.270 -1.795 5.254 235 3HD2 LEU 31 3HD2 LEU 31 -2.462 -0.992 3.912 236 H LYS 32 H LYS 32 -3.114 1.732 6.380 237 HA LYS 32 HA LYS 32 -1.198 -0.108 7.435 238 1HB LYS 32 1HB LYS 32 -1.426 2.822 8.155 239 2HB LYS 32 2HB LYS 32 -0.019 1.793 8.331 240 1HG LYS 32 1HG LYS 32 0.056 1.608 5.849 241 2HG LYS 32 2HG LYS 32 -1.278 2.727 5.781 242 1HD LYS 32 1HD LYS 32 0.843 3.924 5.443 243 2HD LYS 32 2HD LYS 32 0.018 4.465 6.905 244 1HE LYS 32 1HE LYS 32 1.495 3.034 8.255 245 2HE LYS 32 2HE LYS 32 2.298 2.489 6.787 246 1HZ LYS 32 1HZ LYS 32 3.533 4.155 7.929 247 2HZ LYS 32 2HZ LYS 32 2.272 5.256 7.857 248 3HZ LYS 32 3HZ LYS 32 3.056 4.757 6.431 249 H LYS 33 H LYS 33 -3.414 2.124 9.157 250 HA LYS 33 HA LYS 33 -2.739 1.422 11.769 251 1HB LYS 33 1HB LYS 33 -3.994 3.309 10.793 252 2HB LYS 33 2HB LYS 33 -5.365 2.212 10.660 253 1HG LYS 33 1HG LYS 33 -5.336 1.813 12.987 254 2HG LYS 33 2HG LYS 33 -3.884 2.803 13.176 255 1HD LYS 33 1HD LYS 33 -6.537 3.644 12.194 256 2HD LYS 33 2HD LYS 33 -5.768 3.928 13.795 257 1HE LYS 33 1HE LYS 33 -3.984 5.236 12.653 258 2HE LYS 33 2HE LYS 33 -4.814 5.025 11.120 259 1HZ LYS 33 1HZ LYS 33 -6.689 6.274 11.993 260 2HZ LYS 33 2HZ LYS 33 -5.271 7.179 12.082 261 3HZ LYS 33 3HZ LYS 33 -5.895 6.463 13.468 262 H LYS 34 H LYS 34 -4.999 0.012 9.475 263 HA LYS 34 HA LYS 34 -6.248 -1.817 11.233 264 1HB LYS 34 1HB LYS 34 -6.852 -1.084 8.798 265 2HB LYS 34 2HB LYS 34 -5.687 -2.293 8.324 266 1HG LYS 34 1HG LYS 34 -7.835 -3.285 8.198 267 2HG LYS 34 2HG LYS 34 -6.984 -3.986 9.576 268 1HD LYS 34 1HD LYS 34 -9.307 -3.462 10.144 269 2HD LYS 34 2HD LYS 34 -8.192 -2.486 11.096 270 1HE LYS 34 1HE LYS 34 -8.556 -0.582 9.605 271 2HE LYS 34 2HE LYS 34 -9.611 -1.564 8.587 272 1HZ LYS 34 1HZ LYS 34 -10.817 -0.121 10.099 273 2HZ LYS 34 2HZ LYS 34 -10.098 -0.868 11.421 274 3HZ LYS 34 3HZ LYS 34 -11.137 -1.746 10.418 275 H LEU 35 H LEU 35 -3.434 -1.980 9.088 276 HA LEU 35 HA LEU 35 -2.682 -4.627 9.654 277 1HB LEU 35 1HB LEU 35 -1.373 -2.221 8.545 278 2HB LEU 35 2HB LEU 35 -0.422 -3.642 8.649 279 HG LEU 35 HG LEU 35 -2.833 -3.071 6.950 280 1HD1 LEU 35 1HD1 LEU 35 -0.685 -2.353 6.090 281 2HD1 LEU 35 2HD1 LEU 35 -1.326 -3.680 5.127 282 3HD1 LEU 35 3HD1 LEU 35 -0.038 -3.981 6.292 283 1HD2 LEU 35 1HD2 LEU 35 -2.757 -5.390 6.142 284 2HD2 LEU 35 2HD2 LEU 35 -3.201 -5.309 7.837 285 3HD2 LEU 35 3HD2 LEU 35 -1.558 -5.778 7.376 286 H GLU 36 H GLU 36 -1.784 -1.518 11.029 287 HA GLU 36 HA GLU 36 0.143 -2.428 12.752 288 1HB GLU 36 1HB GLU 36 -1.657 -0.097 12.695 289 2HB GLU 36 2HB GLU 36 -0.479 -0.222 13.963 290 1HG GLU 36 1HG GLU 36 -0.050 -0.066 10.998 291 2HG GLU 36 2HG GLU 36 0.494 1.098 12.218 292 H LEU 37 H LEU 37 -3.263 -2.414 13.030 293 HA LEU 37 HA LEU 37 -3.448 -3.075 15.773 294 1HB LEU 37 1HB LEU 37 -5.377 -2.454 14.330 295 2HB LEU 37 2HB LEU 37 -5.218 -3.973 13.497 296 HG LEU 37 HG LEU 37 -5.773 -5.178 15.591 297 1HD1 LEU 37 1HD1 LEU 37 -6.273 -2.419 16.695 298 2HD1 LEU 37 2HD1 LEU 37 -5.003 -3.533 17.202 299 3HD1 LEU 37 3HD1 LEU 37 -6.695 -3.937 17.485 300 1HD2 LEU 37 1HD2 LEU 37 -8.147 -4.611 15.612 301 2HD2 LEU 37 2HD2 LEU 37 -7.523 -4.649 13.963 302 3HD2 LEU 37 3HD2 LEU 37 -7.805 -3.105 14.764 303 H VAL 38 H VAL 38 -2.617 -4.884 12.951 304 HA VAL 38 HA VAL 38 -2.636 -7.471 14.283 305 HB VAL 38 HB VAL 38 -1.689 -6.746 11.498 306 1HG1 VAL 38 1HG1 VAL 38 -2.382 -9.426 12.680 307 2HG1 VAL 38 2HG1 VAL 38 -0.770 -8.847 12.264 308 3HG1 VAL 38 3HG1 VAL 38 -1.959 -9.128 10.994 309 1HG2 VAL 38 1HG2 VAL 38 -3.859 -7.595 10.703 310 2HG2 VAL 38 2HG2 VAL 38 -4.034 -6.182 11.742 311 3HG2 VAL 38 3HG2 VAL 38 -4.374 -7.792 12.379 312 H VAL 39 H VAL 39 -0.334 -5.135 12.974 313 HA VAL 39 HA VAL 39 1.978 -6.773 13.561 314 HB VAL 39 HB VAL 39 1.842 -3.863 12.687 315 1HG1 VAL 39 1HG1 VAL 39 4.150 -5.798 12.584 316 2HG1 VAL 39 2HG1 VAL 39 3.989 -4.455 13.711 317 3HG1 VAL 39 3HG1 VAL 39 4.161 -4.139 11.982 318 1HG2 VAL 39 1HG2 VAL 39 2.232 -6.363 11.041 319 2HG2 VAL 39 2HG2 VAL 39 2.327 -4.709 10.436 320 3HG2 VAL 39 3HG2 VAL 39 0.797 -5.336 11.049 321 H GLY 40 H GLY 40 0.258 -4.206 15.211 322 1HA GLY 40 1HA GLY 40 0.356 -3.885 17.494 323 2HA GLY 40 2HA GLY 40 1.837 -4.823 17.560 324 H THR 41 H THR 41 2.419 -2.833 15.116 325 HA THR 41 HA THR 41 3.964 -1.037 16.819 326 HB THR 41 HB THR 41 3.963 -1.313 13.789 327 HG1 THR 41 HG1 THR 41 5.065 -3.062 14.032 328 1HG2 THR 41 1HG2 THR 41 6.100 -0.358 15.723 329 2HG2 THR 41 2HG2 THR 41 5.186 0.651 14.583 330 3HG2 THR 41 3HG2 THR 41 6.311 -0.558 13.984 331 H THR 42 H THR 42 4.084 1.343 15.646 332 HA THR 42 HA THR 42 1.318 2.196 15.365 333 HB THR 42 HB THR 42 2.214 4.494 15.761 334 HG1 THR 42 HG1 THR 42 4.601 3.087 16.386 335 1HG2 THR 42 1HG2 THR 42 2.549 4.201 18.165 336 2HG2 THR 42 2HG2 THR 42 2.820 2.478 17.920 337 3HG2 THR 42 3HG2 THR 42 1.234 3.177 17.586 338 H VAL 43 H VAL 43 0.827 3.839 13.798 339 HA VAL 43 HA VAL 43 1.405 2.945 11.214 340 HB VAL 43 HB VAL 43 0.219 5.616 12.020 341 1HG1 VAL 43 1HG1 VAL 43 -0.924 5.565 9.859 342 2HG1 VAL 43 2HG1 VAL 43 -0.085 4.069 9.457 343 3HG1 VAL 43 3HG1 VAL 43 0.830 5.560 9.659 344 1HG2 VAL 43 1HG2 VAL 43 -0.972 3.785 13.078 345 2HG2 VAL 43 2HG2 VAL 43 -1.133 2.973 11.521 346 3HG2 VAL 43 3HG2 VAL 43 -1.960 4.505 11.804 347 H ASP 44 H ASP 44 2.826 5.527 13.060 348 HA ASP 44 HA ASP 44 4.185 6.803 10.933 349 1HB ASP 44 1HB ASP 44 3.794 7.965 13.022 350 2HB ASP 44 2HB ASP 44 4.794 6.787 13.872 351 H SER 45 H SER 45 5.101 4.133 13.106 352 HA SER 45 HA SER 45 7.766 4.047 12.136 353 1HB SER 45 1HB SER 45 6.119 2.363 13.988 354 2HB SER 45 2HB SER 45 7.849 2.187 13.703 355 HG SER 45 HG SER 45 8.213 3.787 14.948 356 H MET 46 H MET 46 4.888 3.119 10.983 357 HA MET 46 HA MET 46 5.695 0.545 9.838 358 1HB MET 46 1HB MET 46 3.480 0.936 10.964 359 2HB MET 46 2HB MET 46 3.087 2.059 9.689 360 1HG MET 46 1HG MET 46 3.625 -0.872 9.278 361 2HG MET 46 2HG MET 46 2.031 -0.184 9.509 362 1HE MET 46 1HE MET 46 1.728 -1.170 5.875 363 2HE MET 46 2HE MET 46 0.944 -1.050 7.446 364 3HE MET 46 3HE MET 46 2.383 -2.044 7.262 365 H ARG 47 H ARG 47 6.362 0.435 7.769 366 HA ARG 47 HA ARG 47 6.053 2.794 6.041 367 1HB ARG 47 1HB ARG 47 8.272 2.629 7.094 368 2HB ARG 47 2HB ARG 47 8.465 1.020 6.453 369 1HG ARG 47 1HG ARG 47 8.587 1.898 4.213 370 2HG ARG 47 2HG ARG 47 8.265 3.534 4.814 371 1HD ARG 47 1HD ARG 47 10.286 3.401 6.211 372 2HD ARG 47 2HD ARG 47 10.613 1.795 5.573 373 HE ARG 47 HE ARG 47 10.435 3.506 3.406 374 1HH1 ARG 47 1HH1 ARG 47 12.570 3.130 6.257 375 2HH1 ARG 47 2HH1 ARG 47 13.896 3.788 5.439 376 1HH2 ARG 47 1HH2 ARG 47 12.274 4.352 2.378 377 2HH2 ARG 47 2HH2 ARG 47 13.770 4.469 3.224 378 H ILE 48 H ILE 48 5.706 2.309 3.783 379 HA ILE 48 HA ILE 48 5.067 -0.516 3.290 380 HB ILE 48 HB ILE 48 3.437 1.904 2.553 381 1HG1 ILE 48 1HG1 ILE 48 2.821 -0.609 4.096 382 2HG1 ILE 48 2HG1 ILE 48 3.018 1.006 4.759 383 1HG2 ILE 48 1HG2 ILE 48 3.505 0.556 0.563 384 2HG2 ILE 48 2HG2 ILE 48 1.912 0.400 1.313 385 3HG2 ILE 48 3HG2 ILE 48 3.111 -0.887 1.492 386 1HD1 ILE 48 1HD1 ILE 48 0.857 0.160 2.855 387 2HD1 ILE 48 2HD1 ILE 48 0.993 1.738 3.639 388 3HD1 ILE 48 3HD1 ILE 48 0.685 0.282 4.596 389 H GLN 49 H GLN 49 5.725 -1.443 1.550 390 HA GLN 49 HA GLN 49 6.624 0.146 -0.732 391 1HB GLN 49 1HB GLN 49 7.645 -2.496 0.280 392 2HB GLN 49 2HB GLN 49 8.026 -1.886 -1.319 393 1HG GLN 49 1HG GLN 49 9.078 0.053 -0.330 394 2HG GLN 49 2HG GLN 49 8.658 -0.550 1.274 395 1HE2 GLN 49 1HE2 GLN 49 10.863 -0.665 1.870 396 2HE2 GLN 49 2HE2 GLN 49 11.912 -1.868 1.244 397 H LEU 50 H LEU 50 5.745 -0.471 -2.683 398 HA LEU 50 HA LEU 50 3.770 -2.678 -2.519 399 1HB LEU 50 1HB LEU 50 2.808 -0.370 -2.844 400 2HB LEU 50 2HB LEU 50 3.611 -0.292 -4.387 401 HG LEU 50 HG LEU 50 1.362 -2.270 -3.732 402 1HD1 LEU 50 1HD1 LEU 50 -0.048 -0.822 -5.049 403 2HD1 LEU 50 2HD1 LEU 50 1.284 0.317 -5.247 404 3HD1 LEU 50 3HD1 LEU 50 0.603 0.027 -3.647 405 1HD2 LEU 50 1HD2 LEU 50 2.847 -2.985 -5.583 406 2HD2 LEU 50 2HD2 LEU 50 2.534 -1.432 -6.367 407 3HD2 LEU 50 3HD2 LEU 50 1.214 -2.575 -6.123 408 H PHE 51 H PHE 51 4.014 -4.380 -3.748 409 HA PHE 51 HA PHE 51 5.819 -4.247 -6.082 410 1HB PHE 51 1HB PHE 51 5.287 -6.621 -4.248 411 2HB PHE 51 2HB PHE 51 6.284 -6.643 -5.684 412 HD1 PHE 51 HD1 PHE 51 8.552 -6.086 -5.575 413 HD2 PHE 51 HD2 PHE 51 6.016 -5.238 -2.269 414 HE1 PHE 51 HE1 PHE 51 10.523 -5.576 -4.198 415 HE2 PHE 51 HE2 PHE 51 7.988 -4.718 -0.890 416 HZ PHE 51 HZ PHE 51 10.241 -4.890 -1.853 417 H ASP 52 H ASP 52 4.910 -5.053 -8.030 418 HA ASP 52 HA ASP 52 2.144 -5.856 -7.844 419 1HB ASP 52 1HB ASP 52 2.118 -5.666 -10.195 420 2HB ASP 52 2HB ASP 52 2.816 -4.204 -9.560 421 H GLY 53 H GLY 53 1.937 -7.420 -9.980 422 1HA GLY 53 1HA GLY 53 2.472 -10.009 -9.026 423 2HA GLY 53 2HA GLY 53 2.023 -9.631 -10.683 424 H ASP 54 H ASP 54 4.138 -8.245 -11.654 425 HA ASP 54 HA ASP 54 6.638 -9.272 -10.976 426 1HB ASP 54 1HB ASP 54 5.944 -11.341 -11.997 427 2HB ASP 54 2HB ASP 54 5.430 -10.511 -13.459 428 H ASP 55 H ASP 55 6.975 -7.112 -10.982 429 HA ASP 55 HA ASP 55 8.382 -6.307 -13.274 430 1HB ASP 55 1HB ASP 55 6.090 -5.654 -13.730 431 2HB ASP 55 2HB ASP 55 6.081 -4.575 -12.356 432 H GLN 56 H GLN 56 8.321 -6.968 -10.492 433 HA GLN 56 HA GLN 56 9.253 -6.598 -8.515 434 1HB GLN 56 1HB GLN 56 10.968 -4.596 -9.975 435 2HB GLN 56 2HB GLN 56 11.206 -5.503 -8.463 436 1HG GLN 56 1HG GLN 56 11.016 -6.773 -11.168 437 2HG GLN 56 2HG GLN 56 12.522 -6.461 -10.309 438 1HE2 GLN 56 1HE2 GLN 56 11.327 -8.959 -11.199 439 2HE2 GLN 56 2HE2 GLN 56 11.173 -9.967 -9.817 440 H LEU 57 H LEU 57 10.325 -4.408 -7.326 441 HA LEU 57 HA LEU 57 8.088 -3.286 -6.095 442 1HB LEU 57 1HB LEU 57 10.292 -3.426 -5.051 443 2HB LEU 57 2HB LEU 57 10.926 -2.287 -6.216 444 HG LEU 57 HG LEU 57 9.507 -0.519 -5.244 445 1HD1 LEU 57 1HD1 LEU 57 8.373 -0.910 -3.138 446 2HD1 LEU 57 2HD1 LEU 57 8.768 -2.632 -3.237 447 3HD1 LEU 57 3HD1 LEU 57 7.690 -1.897 -4.426 448 1HD2 LEU 57 1HD2 LEU 57 10.724 -0.287 -3.143 449 2HD2 LEU 57 2HD2 LEU 57 11.789 -0.828 -4.440 450 3HD2 LEU 57 3HD2 LEU 57 11.212 -1.978 -3.235 451 H LYS 58 H LYS 58 6.829 -1.620 -6.508 452 HA LYS 58 HA LYS 58 7.185 -0.051 -8.935 453 1HB LYS 58 1HB LYS 58 5.198 0.273 -6.704 454 2HB LYS 58 2HB LYS 58 5.070 0.960 -8.302 455 1HG LYS 58 1HG LYS 58 4.896 -1.996 -7.634 456 2HG LYS 58 2HG LYS 58 3.540 -0.906 -7.842 457 1HD LYS 58 1HD LYS 58 3.843 -2.287 -9.812 458 2HD LYS 58 2HD LYS 58 4.133 -0.598 -10.186 459 1HE LYS 58 1HE LYS 58 6.456 -0.949 -10.363 460 2HE LYS 58 2HE LYS 58 6.357 -2.554 -9.600 461 1HZ LYS 58 1HZ LYS 58 6.601 -2.569 -12.060 462 2HZ LYS 58 2HZ LYS 58 5.058 -1.860 -12.161 463 3HZ LYS 58 3HZ LYS 58 5.271 -3.349 -11.406 464 H GLY 59 H GLY 59 7.105 0.422 -5.491 465 1HA GLY 59 1HA GLY 59 9.193 2.132 -5.245 466 2HA GLY 59 2HA GLY 59 7.825 3.166 -5.639 467 H GLU 60 H GLU 60 8.376 4.003 -3.520 468 HA GLU 60 HA GLU 60 7.247 2.409 -1.345 469 1HB GLU 60 1HB GLU 60 9.618 2.936 -1.141 470 2HB GLU 60 2HB GLU 60 9.269 4.640 -1.364 471 1HG GLU 60 1HG GLU 60 7.994 4.618 0.729 472 2HG GLU 60 2HG GLU 60 8.426 2.920 0.948 473 H LEU 61 H LEU 61 5.317 3.119 -0.842 474 HA LEU 61 HA LEU 61 4.664 5.899 -1.443 475 1HB LEU 61 1HB LEU 61 2.248 5.355 -1.332 476 2HB LEU 61 2HB LEU 61 3.101 4.603 -2.649 477 HG LEU 61 HG LEU 61 2.255 3.165 -0.114 478 1HD1 LEU 61 1HD1 LEU 61 0.336 3.947 -1.412 479 2HD1 LEU 61 2HD1 LEU 61 0.491 2.194 -1.494 480 3HD1 LEU 61 3HD1 LEU 61 1.000 3.189 -2.858 481 1HD2 LEU 61 1HD2 LEU 61 4.142 2.068 -1.254 482 2HD2 LEU 61 2HD2 LEU 61 3.244 2.117 -2.769 483 3HD2 LEU 61 3HD2 LEU 61 2.654 1.141 -1.425 484 H THR 62 H THR 62 2.781 4.477 0.702 485 HA THR 62 HA THR 62 2.310 4.674 2.898 486 HB THR 62 HB THR 62 4.758 4.321 3.458 487 HG1 THR 62 HG1 THR 62 3.683 6.212 5.207 488 1HG2 THR 62 1HG2 THR 62 4.801 7.334 3.787 489 2HG2 THR 62 2HG2 THR 62 5.727 6.422 2.594 490 3HG2 THR 62 3HG2 THR 62 6.068 6.233 4.320 491 H ASP 63 H ASP 63 2.083 6.943 0.882 492 HA ASP 63 HA ASP 63 1.719 9.393 2.132 493 1HB ASP 63 1HB ASP 63 -0.021 8.212 -0.037 494 2HB ASP 63 2HB ASP 63 0.052 9.906 0.384 495 H GLY 64 H GLY 64 -1.068 7.467 1.205 496 1HA GLY 64 1HA GLY 64 -3.038 6.973 2.186 497 2HA GLY 64 2HA GLY 64 -2.358 7.171 3.765 498 H ALA 65 H ALA 65 -1.885 10.027 2.095 499 HA ALA 65 HA ALA 65 -4.087 11.330 3.408 500 1HB ALA 65 1HB ALA 65 -2.067 12.405 1.432 501 2HB ALA 65 2HB ALA 65 -1.910 12.438 3.188 502 3HB ALA 65 3HB ALA 65 -3.173 13.384 2.397 503 H LYS 66 H LYS 66 -4.011 9.453 0.897 504 HA LYS 66 HA LYS 66 -6.343 10.593 -0.367 505 1HB LYS 66 1HB LYS 66 -5.361 10.007 -2.605 506 2HB LYS 66 2HB LYS 66 -4.589 11.369 -1.796 507 1HG LYS 66 1HG LYS 66 -2.750 9.981 -1.098 508 2HG LYS 66 2HG LYS 66 -3.536 8.551 -1.759 509 1HD LYS 66 1HD LYS 66 -1.783 9.364 -3.238 510 2HD LYS 66 2HD LYS 66 -3.360 9.500 -4.005 511 1HE LYS 66 1HE LYS 66 -3.400 11.889 -3.373 512 2HE LYS 66 2HE LYS 66 -1.769 11.714 -2.717 513 1HZ LYS 66 1HZ LYS 66 -2.607 11.184 -5.482 514 2HZ LYS 66 2HZ LYS 66 -1.028 11.022 -4.915 515 3HZ LYS 66 3HZ LYS 66 -1.741 12.561 -5.011 516 H SER 67 H SER 67 -7.011 8.669 -2.145 517 HA SER 67 HA SER 67 -7.458 6.465 -0.449 518 1HB SER 67 1HB SER 67 -8.822 5.770 -2.374 519 2HB SER 67 2HB SER 67 -9.279 7.317 -1.675 520 HG SER 67 HG SER 67 -9.115 7.946 -3.677 521 H LEU 68 H LEU 68 -7.415 4.402 -1.447 522 HA LEU 68 HA LEU 68 -4.807 3.557 -2.213 523 1HB LEU 68 1HB LEU 68 -7.437 2.127 -2.454 524 2HB LEU 68 2HB LEU 68 -5.873 1.367 -2.599 525 HG LEU 68 HG LEU 68 -7.051 2.614 -0.118 526 1HD1 LEU 68 1HD1 LEU 68 -6.426 -0.253 -0.799 527 2HD1 LEU 68 2HD1 LEU 68 -8.028 0.474 -0.722 528 3HD1 LEU 68 3HD1 LEU 68 -7.057 0.339 0.739 529 1HD2 LEU 68 1HD2 LEU 68 -4.642 2.976 -0.172 530 2HD2 LEU 68 2HD2 LEU 68 -4.379 1.267 -0.513 531 3HD2 LEU 68 3HD2 LEU 68 -5.061 1.762 1.036 532 H LYS 69 H LYS 69 -7.652 4.416 -3.867 533 HA LYS 69 HA LYS 69 -7.088 3.236 -6.406 534 1HB LYS 69 1HB LYS 69 -9.376 3.929 -5.524 535 2HB LYS 69 2HB LYS 69 -8.898 5.583 -5.772 536 1HG LYS 69 1HG LYS 69 -9.074 3.561 -8.010 537 2HG LYS 69 2HG LYS 69 -10.413 4.587 -7.529 538 1HD LYS 69 1HD LYS 69 -7.728 5.553 -8.542 539 2HD LYS 69 2HD LYS 69 -9.199 5.451 -9.506 540 1HE LYS 69 1HE LYS 69 -10.276 7.049 -7.939 541 2HE LYS 69 2HE LYS 69 -8.749 7.184 -7.078 542 1HZ LYS 69 1HZ LYS 69 -7.726 8.049 -9.097 543 2HZ LYS 69 2HZ LYS 69 -9.043 8.988 -8.628 544 3HZ LYS 69 3HZ LYS 69 -9.204 7.916 -9.910 545 H ASP 70 H ASP 70 -6.610 6.379 -4.928 546 HA ASP 70 HA ASP 70 -5.593 7.643 -7.295 547 1HB ASP 70 1HB ASP 70 -6.698 8.704 -5.246 548 2HB ASP 70 2HB ASP 70 -5.153 8.516 -4.455 549 H LEU 71 H LEU 71 -4.341 5.923 -4.602 550 HA LEU 71 HA LEU 71 -1.566 6.534 -4.979 551 1HB LEU 71 1HB LEU 71 -2.953 4.416 -3.379 552 2HB LEU 71 2HB LEU 71 -1.209 4.574 -3.428 553 HG LEU 71 HG LEU 71 -3.056 6.766 -2.508 554 1HD1 LEU 71 1HD1 LEU 71 -2.356 6.132 -0.252 555 2HD1 LEU 71 2HD1 LEU 71 -1.489 4.743 -0.908 556 3HD1 LEU 71 3HD1 LEU 71 -3.245 4.832 -1.034 557 1HD2 LEU 71 1HD2 LEU 71 -0.844 7.461 -3.329 558 2HD2 LEU 71 2HD2 LEU 71 -0.088 6.362 -2.172 559 3HD2 LEU 71 3HD2 LEU 71 -1.058 7.725 -1.607 560 H GLY 72 H GLY 72 -3.645 4.419 -6.605 561 1HA GLY 72 1HA GLY 72 -3.095 3.144 -8.469 562 2HA GLY 72 2HA GLY 72 -1.390 3.357 -8.087 563 H VAL 73 H VAL 73 -3.397 2.348 -5.532 564 HA VAL 73 HA VAL 73 -2.141 -0.265 -5.489 565 HB VAL 73 HB VAL 73 -4.251 0.933 -3.668 566 1HG1 VAL 73 1HG1 VAL 73 -4.212 -1.484 -3.548 567 2HG1 VAL 73 2HG1 VAL 73 -3.545 -0.801 -2.064 568 3HG1 VAL 73 3HG1 VAL 73 -2.468 -1.467 -3.291 569 1HG2 VAL 73 1HG2 VAL 73 -2.220 2.267 -3.583 570 2HG2 VAL 73 2HG2 VAL 73 -1.261 0.820 -3.278 571 3HG2 VAL 73 3HG2 VAL 73 -2.427 1.373 -2.078 572 H ARG 74 H ARG 74 -3.108 -1.955 -6.486 573 HA ARG 74 HA ARG 74 -5.977 -1.691 -7.089 574 1HB ARG 74 1HB ARG 74 -3.891 -2.959 -8.869 575 2HB ARG 74 2HB ARG 74 -5.594 -2.767 -9.238 576 1HG ARG 74 1HG ARG 74 -3.593 -0.544 -8.895 577 2HG ARG 74 2HG ARG 74 -4.212 -1.141 -10.430 578 1HD ARG 74 1HD ARG 74 -6.465 -0.417 -9.797 579 2HD ARG 74 2HD ARG 74 -5.845 0.147 -8.242 580 HE ARG 74 HE ARG 74 -4.349 1.317 -10.255 581 1HH1 ARG 74 1HH1 ARG 74 -7.657 1.508 -8.976 582 2HH1 ARG 74 2HH1 ARG 74 -7.904 3.095 -9.505 583 1HH2 ARG 74 1HH2 ARG 74 -4.699 3.507 -10.938 584 2HH2 ARG 74 2HH2 ARG 74 -6.169 4.279 -10.613 585 H ASP 75 H ASP 75 -6.679 -4.047 -7.972 586 HA ASP 75 HA ASP 75 -6.495 -5.699 -5.641 587 1HB ASP 75 1HB ASP 75 -8.517 -5.465 -6.930 588 2HB ASP 75 2HB ASP 75 -7.744 -6.290 -8.316 589 H GLY 76 H GLY 76 -5.644 -7.499 -5.488 590 1HA GLY 76 1HA GLY 76 -4.223 -9.412 -5.899 591 2HA GLY 76 2HA GLY 76 -4.167 -8.910 -7.576 592 H TYR 77 H TYR 77 -3.225 -6.255 -5.910 593 HA TYR 77 HA TYR 77 -0.400 -6.824 -6.389 594 1HB TYR 77 1HB TYR 77 -1.870 -4.273 -5.688 595 2HB TYR 77 2HB TYR 77 -0.118 -4.375 -5.814 596 HD1 TYR 77 HD1 TYR 77 -3.184 -5.147 -7.818 597 HD2 TYR 77 HD2 TYR 77 0.867 -3.867 -7.867 598 HE1 TYR 77 HE1 TYR 77 -3.347 -4.743 -10.230 599 HE2 TYR 77 HE2 TYR 77 0.705 -3.458 -10.286 600 HH TYR 77 HH TYR 77 -0.687 -4.328 -12.173 601 H ARG 78 H ARG 78 1.253 -6.478 -4.794 602 HA ARG 78 HA ARG 78 0.110 -7.104 -2.204 603 1HB ARG 78 1HB ARG 78 2.234 -8.178 -1.575 604 2HB ARG 78 2HB ARG 78 1.460 -8.946 -2.948 605 1HG ARG 78 1HG ARG 78 3.051 -7.975 -4.452 606 2HG ARG 78 2HG ARG 78 3.711 -6.988 -3.143 607 1HD ARG 78 1HD ARG 78 5.127 -8.963 -3.654 608 2HD ARG 78 2HD ARG 78 4.527 -8.945 -2.005 609 HE ARG 78 HE ARG 78 2.683 -10.450 -3.297 610 1HH1 ARG 78 1HH1 ARG 78 6.195 -10.669 -3.147 611 2HH1 ARG 78 2HH1 ARG 78 6.238 -12.358 -3.266 612 1HH2 ARG 78 1HH2 ARG 78 2.715 -12.659 -3.448 613 2HH2 ARG 78 2HH2 ARG 78 4.169 -13.568 -3.462 614 H ILE 79 H ILE 79 0.464 -6.053 -0.549 615 HA ILE 79 HA ILE 79 2.062 -3.604 -0.690 616 HB ILE 79 HB ILE 79 -0.085 -4.470 1.271 617 1HG1 ILE 79 1HG1 ILE 79 -1.019 -3.883 -0.919 618 2HG1 ILE 79 2HG1 ILE 79 -1.444 -2.682 0.300 619 1HG2 ILE 79 1HG2 ILE 79 1.568 -3.069 2.370 620 2HG2 ILE 79 2HG2 ILE 79 0.047 -2.185 2.170 621 3HG2 ILE 79 3HG2 ILE 79 1.406 -1.873 1.083 622 1HD1 ILE 79 1HD1 ILE 79 0.713 -2.394 -1.781 623 2HD1 ILE 79 2HD1 ILE 79 0.272 -1.191 -0.571 624 3HD1 ILE 79 3HD1 ILE 79 -0.880 -1.641 -1.826 625 H HIS 80 H HIS 80 3.960 -3.708 0.249 626 HA HIS 80 HA HIS 80 4.450 -5.826 2.170 627 1HB HIS 80 1HB HIS 80 6.013 -5.798 0.327 628 2HB HIS 80 2HB HIS 80 6.337 -4.086 0.573 629 HD1 HIS 80 HD1 HIS 80 6.809 -7.401 2.373 630 HD2 HIS 80 HD2 HIS 80 8.431 -3.589 2.162 631 HE1 HIS 80 HE1 HIS 80 8.694 -7.461 3.951 632 HE2 HIS 80 HE2 HIS 80 9.951 -5.351 3.413 633 H ALA 81 H ALA 81 4.320 -5.371 4.188 634 HA ALA 81 HA ALA 81 4.577 -2.620 5.126 635 1HB ALA 81 1HB ALA 81 2.552 -3.795 5.744 636 2HB ALA 81 2HB ALA 81 3.580 -3.607 7.184 637 3HB ALA 81 3HB ALA 81 3.499 -5.147 6.346 638 H VAL 82 H VAL 82 6.196 -2.025 6.386 639 HA VAL 82 HA VAL 82 7.766 -4.065 7.662 640 HB VAL 82 HB VAL 82 8.846 -3.656 5.525 641 1HG1 VAL 82 1HG1 VAL 82 9.144 -0.801 6.372 642 2HG1 VAL 82 2HG1 VAL 82 8.145 -1.399 5.048 643 3HG1 VAL 82 3HG1 VAL 82 9.907 -1.513 4.950 644 1HG2 VAL 82 1HG2 VAL 82 11.134 -3.081 6.317 645 2HG2 VAL 82 2HG2 VAL 82 10.327 -4.231 7.380 646 3HG2 VAL 82 3HG2 VAL 82 10.437 -2.533 7.835 647 H ASP 83 H ASP 83 8.324 -3.473 9.725 648 HA ASP 83 HA ASP 83 7.638 -0.849 10.559 649 1HB ASP 83 1HB ASP 83 8.022 -1.857 12.751 650 2HB ASP 83 2HB ASP 83 6.770 -2.719 11.851 651 H VAL 84 H VAL 84 9.176 0.618 10.983 652 HA VAL 84 HA VAL 84 11.880 -0.090 10.331 653 HB VAL 84 HB VAL 84 12.378 2.273 10.550 654 1HG1 VAL 84 1HG1 VAL 84 9.834 1.765 9.015 655 2HG1 VAL 84 2HG1 VAL 84 11.477 1.498 8.436 656 3HG1 VAL 84 3HG1 VAL 84 10.913 3.137 8.769 657 1HG2 VAL 84 1HG2 VAL 84 10.948 2.853 12.435 658 2HG2 VAL 84 2HG2 VAL 84 9.511 2.596 11.446 659 3HG2 VAL 84 3HG2 VAL 84 10.617 3.920 11.067 660 H THR 85 H THR 85 10.097 -0.208 13.123 661 HA THR 85 HA THR 85 12.133 0.774 14.888 662 HB THR 85 HB THR 85 9.558 -0.642 15.603 663 HG1 THR 85 HG1 THR 85 10.061 2.158 15.327 664 1HG2 THR 85 1HG2 THR 85 11.296 1.304 17.149 665 2HG2 THR 85 2HG2 THR 85 11.184 -0.427 17.451 666 3HG2 THR 85 3HG2 THR 85 9.779 0.607 17.717 667 H GLY 86 H GLY 86 11.039 -2.370 13.764 668 1HA GLY 86 1HA GLY 86 12.762 -3.610 15.761 669 2HA GLY 86 2HA GLY 86 11.555 -4.420 14.772 670 H GLY 87 H GLY 87 13.097 -2.364 12.822 671 1HA GLY 87 1HA GLY 87 14.611 -2.708 11.060 672 2HA GLY 87 2HA GLY 87 15.448 -3.830 12.140 673 H ASN 88 H ASN 88 15.725 -5.601 10.821 674 HA ASN 88 HA ASN 88 13.279 -6.599 9.580 675 1HB ASN 88 1HB ASN 88 16.160 -7.267 9.044 676 2HB ASN 88 2HB ASN 88 14.851 -8.283 8.448 677 1HD2 ASN 88 1HD2 ASN 88 13.015 -6.152 7.962 678 2HD2 ASN 88 2HD2 ASN 88 13.541 -5.286 6.606 679 H GLU 89 H GLU 89 12.148 -8.043 10.358 680 HA GLU 89 HA GLU 89 11.274 -9.508 11.749 681 1HB GLU 89 1HB GLU 89 13.845 -10.962 11.221 682 2HB GLU 89 2HB GLU 89 12.405 -11.702 11.916 683 1HG GLU 89 1HG GLU 89 11.156 -11.085 9.916 684 2HG GLU 89 2HG GLU 89 12.629 -10.448 9.186 685 H ASP 90 H ASP 90 11.085 -8.277 13.503 686 HA ASP 90 HA ASP 90 13.039 -8.602 15.635 687 1HB ASP 90 1HB ASP 90 12.291 -6.325 15.261 688 2HB ASP 90 2HB ASP 90 10.607 -6.806 15.377 Start of MODEL 12 1 H MET 1 H MET 1 -17.488 6.500 -3.070 2 HA MET 1 HA MET 1 -18.555 5.346 -4.857 3 1HB MET 1 1HB MET 1 -15.792 5.394 -6.100 4 2HB MET 1 2HB MET 1 -17.111 4.389 -6.660 5 1HG MET 1 1HG MET 1 -18.395 6.401 -7.217 6 2HG MET 1 2HG MET 1 -17.061 7.401 -6.651 7 1HE MET 1 1HE MET 1 -18.251 4.791 -9.352 8 2HE MET 1 2HE MET 1 -16.817 3.994 -8.699 9 3HE MET 1 3HE MET 1 -16.806 4.619 -10.343 10 H THR 2 H THR 2 -18.609 3.081 -4.769 11 HA THR 2 HA THR 2 -16.821 1.943 -2.797 12 HB THR 2 HB THR 2 -19.250 0.725 -4.147 13 HG1 THR 2 HG1 THR 2 -20.396 1.377 -2.387 14 1HG2 THR 2 1HG2 THR 2 -17.733 -0.052 -1.641 15 2HG2 THR 2 2HG2 THR 2 -17.702 -0.918 -3.175 16 3HG2 THR 2 3HG2 THR 2 -19.193 -0.842 -2.236 17 H GLU 3 H GLU 3 -15.018 1.098 -3.589 18 HA GLU 3 HA GLU 3 -15.093 -0.562 -5.992 19 1HB GLU 3 1HB GLU 3 -14.252 1.683 -6.563 20 2HB GLU 3 2HB GLU 3 -13.011 1.492 -5.330 21 1HG GLU 3 1HG GLU 3 -12.385 1.057 -7.645 22 2HG GLU 3 2HG GLU 3 -11.963 -0.282 -6.540 23 H VAL 4 H VAL 4 -13.663 -2.245 -5.837 24 HA VAL 4 HA VAL 4 -12.382 -2.574 -3.246 25 HB VAL 4 HB VAL 4 -13.217 -4.931 -3.070 26 1HG1 VAL 4 1HG1 VAL 4 -15.453 -4.352 -2.226 27 2HG1 VAL 4 2HG1 VAL 4 -15.351 -2.797 -3.047 28 3HG1 VAL 4 3HG1 VAL 4 -14.242 -3.172 -1.727 29 1HG2 VAL 4 1HG2 VAL 4 -15.234 -5.573 -4.336 30 2HG2 VAL 4 2HG2 VAL 4 -13.856 -5.296 -5.401 31 3HG2 VAL 4 3HG2 VAL 4 -15.117 -4.072 -5.255 32 H TYR 5 H TYR 5 -10.583 -3.595 -3.228 33 HA TYR 5 HA TYR 5 -9.562 -4.955 -5.686 34 1HB TYR 5 1HB TYR 5 -7.344 -4.009 -5.176 35 2HB TYR 5 2HB TYR 5 -8.514 -2.730 -5.470 36 HD1 TYR 5 HD1 TYR 5 -7.039 -4.656 -2.725 37 HD2 TYR 5 HD2 TYR 5 -8.596 -0.946 -3.935 38 HE1 TYR 5 HE1 TYR 5 -6.424 -3.718 -0.554 39 HE2 TYR 5 HE2 TYR 5 -7.974 0.014 -1.728 40 HH TYR 5 HH TYR 5 -7.608 -0.830 0.505 41 H ASP 6 H ASP 6 -8.577 -6.843 -5.439 42 HA ASP 6 HA ASP 6 -8.254 -7.868 -2.704 43 1HB ASP 6 1HB ASP 6 -7.934 -9.246 -5.360 44 2HB ASP 6 2HB ASP 6 -7.519 -9.993 -3.846 45 H LEU 7 H LEU 7 -6.374 -8.066 -1.714 46 HA LEU 7 HA LEU 7 -3.886 -7.500 -3.181 47 1HB LEU 7 1HB LEU 7 -4.687 -6.708 -0.426 48 2HB LEU 7 2HB LEU 7 -3.061 -6.646 -1.032 49 HG LEU 7 HG LEU 7 -5.418 -5.026 -1.899 50 1HD1 LEU 7 1HD1 LEU 7 -4.475 -4.375 0.233 51 2HD1 LEU 7 2HD1 LEU 7 -4.078 -3.167 -0.991 52 3HD1 LEU 7 3HD1 LEU 7 -2.862 -4.332 -0.472 53 1HD2 LEU 7 1HD2 LEU 7 -4.010 -5.503 -3.837 54 2HD2 LEU 7 2HD2 LEU 7 -2.587 -4.965 -2.944 55 3HD2 LEU 7 3HD2 LEU 7 -3.864 -3.816 -3.354 56 H GLU 8 H GLU 8 -2.063 -8.483 -2.424 57 HA GLU 8 HA GLU 8 -2.375 -10.583 -0.372 58 1HB GLU 8 1HB GLU 8 -1.571 -11.392 -2.558 59 2HB GLU 8 2HB GLU 8 -0.254 -10.219 -2.503 60 1HG GLU 8 1HG GLU 8 0.675 -11.348 -0.553 61 2HG GLU 8 2HG GLU 8 -0.664 -12.492 -0.568 62 H ILE 9 H ILE 9 -1.736 -9.963 1.444 63 HA ILE 9 HA ILE 9 0.033 -7.626 1.653 64 HB ILE 9 HB ILE 9 -1.722 -8.821 3.822 65 1HG1 ILE 9 1HG1 ILE 9 -3.018 -6.607 3.638 66 2HG1 ILE 9 2HG1 ILE 9 -2.174 -6.347 2.122 67 1HG2 ILE 9 1HG2 ILE 9 0.196 -7.757 4.792 68 2HG2 ILE 9 2HG2 ILE 9 -1.241 -6.791 5.122 69 3HG2 ILE 9 3HG2 ILE 9 -0.108 -6.288 3.869 70 1HD1 ILE 9 1HD1 ILE 9 -3.214 -8.370 1.209 71 2HD1 ILE 9 2HD1 ILE 9 -4.415 -7.203 1.763 72 3HD1 ILE 9 3HD1 ILE 9 -4.051 -8.624 2.742 73 H THR 10 H THR 10 1.933 -7.747 2.552 74 HA THR 10 HA THR 10 2.675 -10.121 4.085 75 HB THR 10 HB THR 10 4.967 -9.941 3.096 76 HG1 THR 10 HG1 THR 10 4.305 -8.912 0.754 77 1HG2 THR 10 1HG2 THR 10 3.447 -11.687 2.417 78 2HG2 THR 10 2HG2 THR 10 4.440 -11.154 1.055 79 3HG2 THR 10 3HG2 THR 10 2.747 -10.637 1.176 80 H THR 11 H THR 11 4.628 -9.737 5.385 81 HA THR 11 HA THR 11 5.436 -7.052 5.873 82 HB THR 11 HB THR 11 4.552 -8.737 8.162 83 HG1 THR 11 HG1 THR 11 2.935 -7.277 6.418 84 1HG2 THR 11 1HG2 THR 11 4.902 -5.741 7.891 85 2HG2 THR 11 2HG2 THR 11 5.984 -6.861 8.713 86 3HG2 THR 11 3HG2 THR 11 4.378 -6.551 9.366 87 H ASN 12 H ASN 12 7.219 -7.319 7.440 88 HA ASN 12 HA ASN 12 8.663 -9.750 6.840 89 1HB ASN 12 1HB ASN 12 10.605 -8.629 7.720 90 2HB ASN 12 2HB ASN 12 9.822 -7.624 6.519 91 1HD2 ASN 12 1HD2 ASN 12 11.658 -6.949 8.620 92 2HD2 ASN 12 2HD2 ASN 12 10.947 -5.725 9.588 93 H ALA 13 H ALA 13 6.830 -8.377 9.295 94 HA ALA 13 HA ALA 13 7.941 -9.900 11.440 95 1HB ALA 13 1HB ALA 13 5.379 -8.309 11.280 96 2HB ALA 13 2HB ALA 13 6.927 -7.722 11.886 97 3HB ALA 13 3HB ALA 13 6.063 -8.994 12.750 98 H THR 14 H THR 14 5.750 -10.421 8.890 99 HA THR 14 HA THR 14 4.636 -12.770 10.182 100 HB THR 14 HB THR 14 2.878 -12.583 8.367 101 HG1 THR 14 HG1 THR 14 2.740 -10.318 7.565 102 1HG2 THR 14 1HG2 THR 14 2.404 -11.807 10.650 103 2HG2 THR 14 2HG2 THR 14 1.611 -10.776 9.460 104 3HG2 THR 14 3HG2 THR 14 3.087 -10.230 10.257 105 H ASP 15 H ASP 15 4.463 -14.620 8.758 106 HA ASP 15 HA ASP 15 6.484 -14.561 6.620 107 1HB ASP 15 1HB ASP 15 7.243 -15.923 8.502 108 2HB ASP 15 2HB ASP 15 5.753 -16.854 8.447 109 H PHE 16 H PHE 16 3.255 -15.126 7.438 110 HA PHE 16 HA PHE 16 2.761 -16.658 5.019 111 1HB PHE 16 1HB PHE 16 1.823 -17.558 7.105 112 2HB PHE 16 2HB PHE 16 1.000 -16.027 7.376 113 HD1 PHE 16 HD1 PHE 16 1.143 -18.951 5.117 114 HD2 PHE 16 HD2 PHE 16 -1.122 -15.623 6.485 115 HE1 PHE 16 HE1 PHE 16 -0.833 -19.803 3.916 116 HE2 PHE 16 HE2 PHE 16 -3.092 -16.461 5.291 117 HZ PHE 16 HZ PHE 16 -2.946 -18.563 4.001 118 HA PRO 17 HA PRO 17 1.327 -12.712 3.259 119 1HB PRO 17 1HB PRO 17 0.875 -14.393 0.908 120 2HB PRO 17 2HB PRO 17 1.904 -12.972 1.057 121 1HG PRO 17 1HG PRO 17 2.946 -15.452 0.791 122 2HG PRO 17 2HG PRO 17 3.735 -14.187 1.747 123 1HD PRO 17 1HD PRO 17 2.096 -16.519 2.698 124 2HD PRO 17 2HD PRO 17 3.572 -15.801 3.380 125 H MET 18 H MET 18 -0.702 -12.065 3.357 126 HA MET 18 HA MET 18 -2.845 -14.100 3.382 127 1HB MET 18 1HB MET 18 -2.492 -13.119 5.583 128 2HB MET 18 2HB MET 18 -2.611 -11.502 4.913 129 1HG MET 18 1HG MET 18 -4.649 -12.104 6.083 130 2HG MET 18 2HG MET 18 -4.954 -11.898 4.361 131 1HE MET 18 1HE MET 18 -7.514 -14.664 5.316 132 2HE MET 18 2HE MET 18 -7.274 -13.104 4.532 133 3HE MET 18 3HE MET 18 -7.029 -13.263 6.273 134 H GLU 19 H GLU 19 -4.713 -13.685 2.185 135 HA GLU 19 HA GLU 19 -4.544 -11.257 0.594 136 1HB GLU 19 1HB GLU 19 -5.815 -12.349 -1.160 137 2HB GLU 19 2HB GLU 19 -4.359 -13.259 -0.814 138 1HG GLU 19 1HG GLU 19 -7.160 -13.973 0.079 139 2HG GLU 19 2HG GLU 19 -6.312 -14.666 -1.299 140 H LYS 20 H LYS 20 -6.138 -9.850 0.631 141 HA LYS 20 HA LYS 20 -8.749 -10.590 1.535 142 1HB LYS 20 1HB LYS 20 -7.591 -10.229 3.674 143 2HB LYS 20 2HB LYS 20 -7.139 -8.614 3.143 144 1HG LYS 20 1HG LYS 20 -9.395 -7.884 3.157 145 2HG LYS 20 2HG LYS 20 -9.993 -9.524 3.403 146 1HD LYS 20 1HD LYS 20 -8.982 -9.608 5.576 147 2HD LYS 20 2HD LYS 20 -8.224 -8.037 5.258 148 1HE LYS 20 1HE LYS 20 -10.230 -7.853 6.731 149 2HE LYS 20 2HE LYS 20 -10.390 -6.955 5.227 150 1HZ LYS 20 1HZ LYS 20 -11.743 -8.788 4.340 151 2HZ LYS 20 2HZ LYS 20 -12.398 -8.116 5.705 152 3HZ LYS 20 3HZ LYS 20 -11.613 -9.610 5.817 153 H LYS 21 H LYS 21 -10.305 -9.042 1.079 154 HA LYS 21 HA LYS 21 -9.505 -7.224 -1.041 155 1HB LYS 21 1HB LYS 21 -11.214 -8.890 -1.511 156 2HB LYS 21 2HB LYS 21 -12.187 -8.308 -0.174 157 1HG LYS 21 1HG LYS 21 -12.498 -6.175 -1.324 158 2HG LYS 21 2HG LYS 21 -11.507 -6.749 -2.665 159 1HD LYS 21 1HD LYS 21 -14.100 -7.996 -1.735 160 2HD LYS 21 2HD LYS 21 -13.923 -6.952 -3.145 161 1HE LYS 21 1HE LYS 21 -12.371 -8.594 -4.136 162 2HE LYS 21 2HE LYS 21 -12.594 -9.633 -2.732 163 1HZ LYS 21 1HZ LYS 21 -13.973 -10.320 -4.577 164 2HZ LYS 21 2HZ LYS 21 -14.732 -8.822 -4.623 165 3HZ LYS 21 3HZ LYS 21 -14.926 -9.828 -3.286 166 H TYR 22 H TYR 22 -9.721 -5.080 -0.845 167 HA TYR 22 HA TYR 22 -11.166 -3.972 1.458 168 1HB TYR 22 1HB TYR 22 -8.374 -3.163 0.602 169 2HB TYR 22 2HB TYR 22 -9.351 -2.267 1.745 170 HD1 TYR 22 HD1 TYR 22 -9.962 -3.388 3.920 171 HD2 TYR 22 HD2 TYR 22 -7.027 -4.961 1.276 172 HE1 TYR 22 HE1 TYR 22 -9.004 -4.685 5.765 173 HE2 TYR 22 HE2 TYR 22 -6.064 -6.267 3.120 174 HH TYR 22 HH TYR 22 -5.986 -6.182 5.581 175 HA PRO 23 HA PRO 23 -12.597 -1.043 -1.567 176 1HB PRO 23 1HB PRO 23 -12.619 1.205 0.247 177 2HB PRO 23 2HB PRO 23 -13.990 0.270 -0.330 178 1HG PRO 23 1HG PRO 23 -13.100 0.239 2.259 179 2HG PRO 23 2HG PRO 23 -13.978 -1.093 1.491 180 1HD PRO 23 1HD PRO 23 -11.053 -0.802 2.018 181 2HD PRO 23 2HD PRO 23 -12.077 -2.248 2.120 182 H ALA 24 H ALA 24 -11.743 0.213 -3.070 183 HA ALA 24 HA ALA 24 -9.043 1.181 -2.818 184 1HB ALA 24 1HB ALA 24 -9.192 1.814 -5.127 185 2HB ALA 24 2HB ALA 24 -10.945 1.712 -5.081 186 3HB ALA 24 3HB ALA 24 -9.982 0.245 -4.941 187 H GLY 25 H GLY 25 -12.050 2.570 -2.351 188 1HA GLY 25 1HA GLY 25 -11.166 5.320 -2.715 189 2HA GLY 25 2HA GLY 25 -12.750 4.820 -2.148 190 H MET 26 H MET 26 -10.812 3.104 -0.295 191 HA MET 26 HA MET 26 -11.094 4.845 1.980 192 1HB MET 26 1HB MET 26 -11.497 2.442 2.106 193 2HB MET 26 2HB MET 26 -9.830 2.113 1.663 194 1HG MET 26 1HG MET 26 -9.121 3.172 3.772 195 2HG MET 26 2HG MET 26 -10.811 3.431 4.192 196 1HE MET 26 1HE MET 26 -9.165 0.289 2.403 197 2HE MET 26 2HE MET 26 -8.841 -0.730 3.804 198 3HE MET 26 3HE MET 26 -7.982 0.796 3.604 199 H SER 27 H SER 27 -9.244 5.390 3.415 200 HA SER 27 HA SER 27 -6.894 6.255 1.953 201 1HB SER 27 1HB SER 27 -6.300 7.209 4.130 202 2HB SER 27 2HB SER 27 -7.868 7.775 3.586 203 HG SER 27 HG SER 27 -8.377 7.181 5.519 204 H LEU 28 H LEU 28 -4.876 5.593 2.351 205 HA LEU 28 HA LEU 28 -4.446 2.929 3.106 206 1HB LEU 28 1HB LEU 28 -3.001 4.349 1.719 207 2HB LEU 28 2HB LEU 28 -2.554 5.220 3.133 208 HG LEU 28 HG LEU 28 -1.491 3.296 4.152 209 1HD1 LEU 28 1HD1 LEU 28 -2.171 1.814 1.615 210 2HD1 LEU 28 2HD1 LEU 28 -2.848 1.493 3.212 211 3HD1 LEU 28 3HD1 LEU 28 -1.136 1.222 2.910 212 1HD2 LEU 28 1HD2 LEU 28 -0.620 3.807 1.346 213 2HD2 LEU 28 2HD2 LEU 28 0.372 3.084 2.613 214 3HD2 LEU 28 3HD2 LEU 28 -0.189 4.750 2.766 215 H ASN 29 H ASN 29 -4.444 5.867 4.790 216 HA ASN 29 HA ASN 29 -3.112 5.011 7.239 217 1HB ASN 29 1HB ASN 29 -4.985 7.318 6.771 218 2HB ASN 29 2HB ASN 29 -4.146 7.018 8.298 219 1HD2 ASN 29 1HD2 ASN 29 -3.932 9.277 6.420 220 2HD2 ASN 29 2HD2 ASN 29 -2.254 9.348 5.989 221 H ASP 30 H ASP 30 -6.452 4.682 6.290 222 HA ASP 30 HA ASP 30 -7.281 3.802 8.869 223 1HB ASP 30 1HB ASP 30 -8.842 4.462 7.013 224 2HB ASP 30 2HB ASP 30 -8.391 2.997 6.160 225 H LEU 31 H LEU 31 -6.107 2.253 5.993 226 HA LEU 31 HA LEU 31 -6.182 -0.498 6.857 227 1HB LEU 31 1HB LEU 31 -6.059 0.515 4.475 228 2HB LEU 31 2HB LEU 31 -4.389 0.807 4.799 229 HG LEU 31 HG LEU 31 -4.820 -1.189 3.352 230 1HD1 LEU 31 1HD1 LEU 31 -3.256 -2.694 4.443 231 2HD1 LEU 31 2HD1 LEU 31 -3.452 -1.787 5.943 232 3HD1 LEU 31 3HD1 LEU 31 -2.722 -1.013 4.538 233 1HD2 LEU 31 1HD2 LEU 31 -6.841 -1.980 4.420 234 2HD2 LEU 31 2HD2 LEU 31 -5.927 -2.377 5.879 235 3HD2 LEU 31 3HD2 LEU 31 -5.613 -3.242 4.378 236 H LYS 32 H LYS 32 -3.739 1.957 6.791 237 HA LYS 32 HA LYS 32 -1.522 0.692 7.981 238 1HB LYS 32 1HB LYS 32 -2.572 3.481 8.276 239 2HB LYS 32 2HB LYS 32 -1.071 2.970 8.993 240 1HG LYS 32 1HG LYS 32 -1.594 2.710 6.069 241 2HG LYS 32 2HG LYS 32 -0.993 4.216 6.755 242 1HD LYS 32 1HD LYS 32 0.344 1.497 6.919 243 2HD LYS 32 2HD LYS 32 0.850 2.843 5.893 244 1HE LYS 32 1HE LYS 32 1.137 4.206 7.976 245 2HE LYS 32 2HE LYS 32 0.872 2.743 8.918 246 1HZ LYS 32 1HZ LYS 32 2.853 1.774 7.798 247 2HZ LYS 32 2HZ LYS 32 3.225 3.215 8.620 248 3HZ LYS 32 3HZ LYS 32 3.051 3.248 6.985 249 H LYS 33 H LYS 33 -4.242 2.392 9.572 250 HA LYS 33 HA LYS 33 -3.335 2.044 12.187 251 1HB LYS 33 1HB LYS 33 -5.288 3.472 11.111 252 2HB LYS 33 2HB LYS 33 -6.251 2.042 11.415 253 1HG LYS 33 1HG LYS 33 -6.679 3.360 13.259 254 2HG LYS 33 2HG LYS 33 -5.408 2.292 13.851 255 1HD LYS 33 1HD LYS 33 -5.066 5.162 12.905 256 2HD LYS 33 2HD LYS 33 -4.956 4.561 14.554 257 1HE LYS 33 1HE LYS 33 -2.978 3.192 13.843 258 2HE LYS 33 2HE LYS 33 -3.159 3.949 12.253 259 1HZ LYS 33 1HZ LYS 33 -2.625 6.078 13.201 260 2HZ LYS 33 2HZ LYS 33 -1.453 4.909 13.566 261 3HZ LYS 33 3HZ LYS 33 -2.526 5.391 14.762 262 H LYS 34 H LYS 34 -5.220 -0.066 10.038 263 HA LYS 34 HA LYS 34 -5.859 -2.012 11.909 264 1HB LYS 34 1HB LYS 34 -5.902 -1.446 9.082 265 2HB LYS 34 2HB LYS 34 -5.885 -3.133 9.334 266 1HG LYS 34 1HG LYS 34 -8.151 -2.296 9.048 267 2HG LYS 34 2HG LYS 34 -7.991 -2.839 10.716 268 1HD LYS 34 1HD LYS 34 -7.695 -0.528 11.439 269 2HD LYS 34 2HD LYS 34 -7.740 0.018 9.765 270 1HE LYS 34 1HE LYS 34 -10.005 -1.368 11.204 271 2HE LYS 34 2HE LYS 34 -9.875 0.370 10.955 272 1HZ LYS 34 1HZ LYS 34 -9.936 0.011 8.580 273 2HZ LYS 34 2HZ LYS 34 -11.305 -0.605 9.320 274 3HZ LYS 34 3HZ LYS 34 -10.104 -1.668 8.785 275 H LEU 35 H LEU 35 -3.196 -1.590 9.569 276 HA LEU 35 HA LEU 35 -1.788 -3.949 10.061 277 1HB LEU 35 1HB LEU 35 -1.038 -1.207 9.183 278 2HB LEU 35 2HB LEU 35 0.154 -2.446 9.188 279 HG LEU 35 HG LEU 35 -2.327 -2.258 7.506 280 1HD1 LEU 35 1HD1 LEU 35 -0.716 -2.172 5.654 281 2HD1 LEU 35 2HD1 LEU 35 0.611 -2.249 6.810 282 3HD1 LEU 35 3HD1 LEU 35 -0.465 -0.855 6.798 283 1HD2 LEU 35 1HD2 LEU 35 -0.315 -4.511 7.618 284 2HD2 LEU 35 2HD2 LEU 35 -1.584 -4.336 6.410 285 3HD2 LEU 35 3HD2 LEU 35 -2.011 -4.603 8.097 286 H GLU 36 H GLU 36 -1.502 -0.696 11.409 287 HA GLU 36 HA GLU 36 0.537 -1.002 13.202 288 1HB GLU 36 1HB GLU 36 -1.886 0.728 13.030 289 2HB GLU 36 2HB GLU 36 -0.759 0.964 14.331 290 1HG GLU 36 1HG GLU 36 0.999 1.429 12.736 291 2HG GLU 36 2HG GLU 36 -0.079 1.123 11.382 292 H LEU 37 H LEU 37 -2.854 -1.764 13.482 293 HA LEU 37 HA LEU 37 -2.812 -2.296 16.277 294 1HB LEU 37 1HB LEU 37 -4.865 -1.692 15.028 295 2HB LEU 37 2HB LEU 37 -4.738 -3.188 14.146 296 HG LEU 37 HG LEU 37 -5.110 -4.455 16.222 297 1HD1 LEU 37 1HD1 LEU 37 -5.554 -1.747 17.459 298 2HD1 LEU 37 2HD1 LEU 37 -4.244 -2.871 17.838 299 3HD1 LEU 37 3HD1 LEU 37 -5.910 -3.297 18.220 300 1HD2 LEU 37 1HD2 LEU 37 -7.205 -2.389 15.580 301 2HD2 LEU 37 2HD2 LEU 37 -7.477 -3.892 16.461 302 3HD2 LEU 37 3HD2 LEU 37 -6.976 -3.941 14.769 303 H VAL 38 H VAL 38 -2.407 -4.265 13.397 304 HA VAL 38 HA VAL 38 -2.411 -6.732 14.888 305 HB VAL 38 HB VAL 38 -1.673 -6.237 11.983 306 1HG1 VAL 38 1HG1 VAL 38 -1.969 -8.655 11.680 307 2HG1 VAL 38 2HG1 VAL 38 -2.221 -8.836 13.417 308 3HG1 VAL 38 3HG1 VAL 38 -0.656 -8.301 12.806 309 1HG2 VAL 38 1HG2 VAL 38 -3.997 -5.689 12.467 310 2HG2 VAL 38 2HG2 VAL 38 -4.224 -7.260 13.229 311 3HG2 VAL 38 3HG2 VAL 38 -3.900 -7.162 11.498 312 H VAL 39 H VAL 39 0.063 -4.696 13.394 313 HA VAL 39 HA VAL 39 2.130 -6.557 14.286 314 HB VAL 39 HB VAL 39 2.469 -4.000 12.694 315 1HG1 VAL 39 1HG1 VAL 39 4.664 -4.931 12.093 316 2HG1 VAL 39 2HG1 VAL 39 4.358 -6.318 13.144 317 3HG1 VAL 39 3HG1 VAL 39 4.511 -4.702 13.836 318 1HG2 VAL 39 1HG2 VAL 39 2.291 -6.858 11.740 319 2HG2 VAL 39 2HG2 VAL 39 2.688 -5.465 10.735 320 3HG2 VAL 39 3HG2 VAL 39 1.089 -5.592 11.473 321 H GLY 40 H GLY 40 0.796 -3.516 15.295 322 1HA GLY 40 1HA GLY 40 1.102 -2.702 17.447 323 2HA GLY 40 2HA GLY 40 2.531 -3.705 17.613 324 H THR 41 H THR 41 2.747 -2.296 14.694 325 HA THR 41 HA THR 41 4.787 -0.467 15.593 326 HB THR 41 HB THR 41 3.789 -0.861 12.774 327 HG1 THR 41 HG1 THR 41 6.030 -2.274 13.586 328 1HG2 THR 41 1HG2 THR 41 6.164 -0.404 12.215 329 2HG2 THR 41 2HG2 THR 41 6.480 -0.107 13.927 330 3HG2 THR 41 3HG2 THR 41 5.386 0.945 13.032 331 H THR 42 H THR 42 4.863 1.752 14.437 332 HA THR 42 HA THR 42 2.351 3.165 14.722 333 HB THR 42 HB THR 42 3.903 5.156 14.705 334 HG1 THR 42 HG1 THR 42 6.128 4.653 15.006 335 1HG2 THR 42 1HG2 THR 42 3.114 4.193 16.820 336 2HG2 THR 42 2HG2 THR 42 4.776 4.763 16.977 337 3HG2 THR 42 3HG2 THR 42 4.446 3.039 16.794 338 H VAL 43 H VAL 43 2.981 5.383 13.063 339 HA VAL 43 HA VAL 43 2.346 4.178 10.513 340 HB VAL 43 HB VAL 43 2.581 7.108 11.274 341 1HG1 VAL 43 1HG1 VAL 43 2.919 6.786 8.866 342 2HG1 VAL 43 2HG1 VAL 43 1.412 7.624 9.220 343 3HG1 VAL 43 3HG1 VAL 43 1.377 5.926 8.773 344 1HG2 VAL 43 1HG2 VAL 43 0.768 6.009 12.445 345 2HG2 VAL 43 2HG2 VAL 43 0.153 5.368 10.923 346 3HG2 VAL 43 3HG2 VAL 43 0.133 7.106 11.219 347 H ASP 44 H ASP 44 4.950 6.237 11.698 348 HA ASP 44 HA ASP 44 6.165 6.186 9.089 349 1HB ASP 44 1HB ASP 44 6.295 8.248 10.359 350 2HB ASP 44 2HB ASP 44 7.136 7.414 11.656 351 H SER 45 H SER 45 6.709 4.540 12.192 352 HA SER 45 HA SER 45 9.152 3.462 11.383 353 1HB SER 45 1HB SER 45 7.225 2.741 13.560 354 2HB SER 45 2HB SER 45 8.885 2.176 13.395 355 HG SER 45 HG SER 45 9.129 3.865 14.672 356 H MET 46 H MET 46 6.038 2.815 10.478 357 HA MET 46 HA MET 46 6.798 0.053 9.741 358 1HB MET 46 1HB MET 46 4.566 0.570 11.004 359 2HB MET 46 2HB MET 46 4.053 1.221 9.476 360 1HG MET 46 1HG MET 46 4.340 -0.879 8.354 361 2HG MET 46 2HG MET 46 5.012 -1.601 9.816 362 1HE MET 46 1HE MET 46 1.681 -3.507 9.697 363 2HE MET 46 2HE MET 46 3.441 -3.579 9.758 364 3HE MET 46 3HE MET 46 2.627 -3.024 8.295 365 H ARG 47 H ARG 47 7.611 0.034 7.776 366 HA ARG 47 HA ARG 47 6.816 2.218 6.003 367 1HB ARG 47 1HB ARG 47 9.311 1.284 6.577 368 2HB ARG 47 2HB ARG 47 8.947 0.380 5.113 369 1HG ARG 47 1HG ARG 47 10.102 2.401 4.535 370 2HG ARG 47 2HG ARG 47 8.428 2.517 3.975 371 1HD ARG 47 1HD ARG 47 7.865 3.800 6.037 372 2HD ARG 47 2HD ARG 47 9.556 3.699 6.503 373 HE ARG 47 HE ARG 47 9.311 4.880 3.958 374 1HH1 ARG 47 1HH1 ARG 47 8.827 5.527 7.397 375 2HH1 ARG 47 2HH1 ARG 47 8.898 7.205 7.300 376 1HH2 ARG 47 1HH2 ARG 47 9.424 7.177 3.728 377 2HH2 ARG 47 2HH2 ARG 47 9.278 8.197 5.094 378 H ILE 48 H ILE 48 5.925 1.863 3.997 379 HA ILE 48 HA ILE 48 4.906 -0.869 3.644 380 HB ILE 48 HB ILE 48 3.524 1.712 2.837 381 1HG1 ILE 48 1HG1 ILE 48 3.620 1.578 5.304 382 2HG1 ILE 48 2HG1 ILE 48 1.979 1.361 4.709 383 1HG2 ILE 48 1HG2 ILE 48 2.911 -0.246 1.518 384 2HG2 ILE 48 2HG2 ILE 48 1.564 0.277 2.527 385 3HG2 ILE 48 3HG2 ILE 48 2.522 -1.131 2.991 386 1HD1 ILE 48 1HD1 ILE 48 3.832 -0.823 5.642 387 2HD1 ILE 48 2HD1 ILE 48 2.186 -1.048 5.051 388 3HD1 ILE 48 3HD1 ILE 48 2.473 -0.153 6.542 389 H GLN 49 H GLN 49 5.439 -1.763 1.748 390 HA GLN 49 HA GLN 49 6.461 -0.005 -0.325 391 1HB GLN 49 1HB GLN 49 7.169 -2.864 0.254 392 2HB GLN 49 2HB GLN 49 7.726 -1.978 -1.157 393 1HG GLN 49 1HG GLN 49 8.817 -0.362 0.275 394 2HG GLN 49 2HG GLN 49 8.241 -1.243 1.690 395 1HE2 GLN 49 1HE2 GLN 49 10.966 -0.636 0.864 396 2HE2 GLN 49 2HE2 GLN 49 11.771 -2.145 0.683 397 H LEU 50 H LEU 50 5.644 -0.194 -2.330 398 HA LEU 50 HA LEU 50 3.428 -2.105 -2.693 399 1HB LEU 50 1HB LEU 50 2.593 0.183 -2.616 400 2HB LEU 50 2HB LEU 50 3.690 0.674 -3.883 401 HG LEU 50 HG LEU 50 1.413 -1.304 -4.362 402 1HD1 LEU 50 1HD1 LEU 50 1.426 1.701 -4.690 403 2HD1 LEU 50 2HD1 LEU 50 0.506 0.802 -3.482 404 3HD1 LEU 50 3HD1 LEU 50 0.138 0.610 -5.195 405 1HD2 LEU 50 1HD2 LEU 50 3.181 -1.199 -6.093 406 2HD2 LEU 50 2HD2 LEU 50 2.930 0.542 -6.221 407 3HD2 LEU 50 3HD2 LEU 50 1.643 -0.568 -6.682 408 H PHE 51 H PHE 51 3.728 -3.619 -4.024 409 HA PHE 51 HA PHE 51 5.533 -3.208 -6.280 410 1HB PHE 51 1HB PHE 51 4.497 -5.792 -5.081 411 2HB PHE 51 2HB PHE 51 5.666 -5.656 -6.389 412 HD1 PHE 51 HD1 PHE 51 5.147 -5.542 -2.795 413 HD2 PHE 51 HD2 PHE 51 7.937 -4.854 -5.922 414 HE1 PHE 51 HE1 PHE 51 6.975 -5.531 -1.160 415 HE2 PHE 51 HE2 PHE 51 9.757 -4.838 -4.289 416 HZ PHE 51 HZ PHE 51 9.278 -5.181 -1.902 417 H ASP 52 H ASP 52 4.717 -3.756 -8.280 418 HA ASP 52 HA ASP 52 1.884 -3.115 -8.545 419 1HB ASP 52 1HB ASP 52 3.774 -2.146 -9.932 420 2HB ASP 52 2HB ASP 52 3.909 -3.708 -10.730 421 H GLY 53 H GLY 53 1.618 -4.548 -11.034 422 1HA GLY 53 1HA GLY 53 0.702 -7.114 -10.056 423 2HA GLY 53 2HA GLY 53 0.691 -6.586 -11.742 424 H ASP 54 H ASP 54 3.518 -5.812 -11.244 425 HA ASP 54 HA ASP 54 4.793 -8.362 -11.882 426 1HB ASP 54 1HB ASP 54 5.104 -6.392 -13.405 427 2HB ASP 54 2HB ASP 54 5.840 -5.521 -12.071 428 H ASP 55 H ASP 55 7.029 -8.617 -10.856 429 HA ASP 55 HA ASP 55 6.700 -8.616 -8.086 430 1HB ASP 55 1HB ASP 55 7.793 -10.377 -9.378 431 2HB ASP 55 2HB ASP 55 9.120 -9.300 -9.724 432 H GLN 56 H GLN 56 8.176 -6.450 -10.270 433 HA GLN 56 HA GLN 56 10.097 -5.339 -8.502 434 1HB GLN 56 1HB GLN 56 8.942 -4.192 -11.015 435 2HB GLN 56 2HB GLN 56 10.211 -3.438 -10.080 436 1HG GLN 56 1HG GLN 56 11.628 -5.417 -10.409 437 2HG GLN 56 2HG GLN 56 10.352 -6.125 -11.397 438 1HE2 GLN 56 1HE2 GLN 56 11.666 -6.212 -13.181 439 2HE2 GLN 56 2HE2 GLN 56 12.140 -4.832 -14.091 440 H LEU 57 H LEU 57 10.220 -3.342 -7.658 441 HA LEU 57 HA LEU 57 7.879 -2.525 -6.150 442 1HB LEU 57 1HB LEU 57 10.082 -2.801 -5.094 443 2HB LEU 57 2HB LEU 57 10.736 -1.558 -6.134 444 HG LEU 57 HG LEU 57 9.192 0.079 -5.053 445 1HD1 LEU 57 1HD1 LEU 57 7.493 -1.447 -4.273 446 2HD1 LEU 57 2HD1 LEU 57 8.164 -0.521 -2.931 447 3HD1 LEU 57 3HD1 LEU 57 8.648 -2.202 -3.176 448 1HD2 LEU 57 1HD2 LEU 57 11.517 -0.103 -4.354 449 2HD2 LEU 57 2HD2 LEU 57 11.082 -1.379 -3.214 450 3HD2 LEU 57 3HD2 LEU 57 10.474 0.260 -2.980 451 H LYS 58 H LYS 58 6.662 -0.825 -6.582 452 HA LYS 58 HA LYS 58 7.398 0.921 -8.785 453 1HB LYS 58 1HB LYS 58 4.906 0.608 -7.159 454 2HB LYS 58 2HB LYS 58 5.098 1.945 -8.271 455 1HG LYS 58 1HG LYS 58 5.218 -0.979 -8.991 456 2HG LYS 58 2HG LYS 58 3.823 0.079 -9.252 457 1HD LYS 58 1HD LYS 58 5.208 1.496 -10.724 458 2HD LYS 58 2HD LYS 58 6.568 0.402 -10.494 459 1HE LYS 58 1HE LYS 58 5.284 -1.408 -11.512 460 2HE LYS 58 2HE LYS 58 3.918 -0.318 -11.730 461 1HZ LYS 58 1HZ LYS 58 5.233 -0.579 -13.742 462 2HZ LYS 58 2HZ LYS 58 6.595 0.036 -12.979 463 3HZ LYS 58 3HZ LYS 58 5.236 1.011 -13.213 464 H GLY 59 H GLY 59 6.795 1.122 -5.343 465 1HA GLY 59 1HA GLY 59 8.662 3.095 -4.902 466 2HA GLY 59 2HA GLY 59 7.130 3.913 -5.183 467 H GLU 60 H GLU 60 7.475 4.629 -2.924 468 HA GLU 60 HA GLU 60 6.760 2.545 -1.051 469 1HB GLU 60 1HB GLU 60 9.032 3.455 -0.765 470 2HB GLU 60 2HB GLU 60 8.357 5.073 -0.660 471 1HG GLU 60 1HG GLU 60 7.179 4.443 1.379 472 2HG GLU 60 2HG GLU 60 7.854 2.819 1.263 473 H LEU 61 H LEU 61 5.074 2.965 0.146 474 HA LEU 61 HA LEU 61 3.767 5.555 -0.141 475 1HB LEU 61 1HB LEU 61 1.542 4.461 -0.007 476 2HB LEU 61 2HB LEU 61 2.438 3.959 -1.406 477 HG LEU 61 HG LEU 61 2.051 2.312 1.090 478 1HD1 LEU 61 1HD1 LEU 61 -0.048 2.625 -0.134 479 2HD1 LEU 61 2HD1 LEU 61 0.525 0.971 -0.313 480 3HD1 LEU 61 3HD1 LEU 61 0.740 2.125 -1.629 481 1HD2 LEU 61 1HD2 LEU 61 3.268 1.676 -1.580 482 2HD2 LEU 61 2HD2 LEU 61 2.784 0.457 -0.415 483 3HD2 LEU 61 3HD2 LEU 61 4.058 1.601 0.000 484 H THR 62 H THR 62 1.736 4.609 1.804 485 HA THR 62 HA THR 62 1.472 4.480 4.127 486 HB THR 62 HB THR 62 4.038 4.061 4.558 487 HG1 THR 62 HG1 THR 62 2.866 5.889 6.349 488 1HG2 THR 62 1HG2 THR 62 4.887 6.189 3.620 489 2HG2 THR 62 2HG2 THR 62 5.355 6.041 5.315 490 3HG2 THR 62 3HG2 THR 62 4.018 7.101 4.855 491 H ASP 63 H ASP 63 1.528 6.619 1.914 492 HA ASP 63 HA ASP 63 1.359 9.178 3.027 493 1HB ASP 63 1HB ASP 63 -0.170 8.018 0.691 494 2HB ASP 63 2HB ASP 63 0.054 9.729 0.995 495 H GLY 64 H GLY 64 -1.461 7.420 1.823 496 1HA GLY 64 1HA GLY 64 -3.546 7.044 2.640 497 2HA GLY 64 2HA GLY 64 -3.022 7.408 4.254 498 H ALA 65 H ALA 65 -2.202 10.096 2.583 499 HA ALA 65 HA ALA 65 -4.639 11.513 3.300 500 1HB ALA 65 1HB ALA 65 -2.448 12.494 3.784 501 2HB ALA 65 2HB ALA 65 -3.376 13.513 2.684 502 3HB ALA 65 3HB ALA 65 -2.068 12.499 2.062 503 H LYS 66 H LYS 66 -3.972 9.633 1.002 504 HA LYS 66 HA LYS 66 -5.643 10.826 -1.000 505 1HB LYS 66 1HB LYS 66 -4.009 9.969 -2.741 506 2HB LYS 66 2HB LYS 66 -3.455 11.380 -1.855 507 1HG LYS 66 1HG LYS 66 -2.172 9.780 -0.361 508 2HG LYS 66 2HG LYS 66 -2.591 8.511 -1.507 509 1HD LYS 66 1HD LYS 66 -1.025 11.019 -2.165 510 2HD LYS 66 2HD LYS 66 -0.323 9.434 -1.865 511 1HE LYS 66 1HE LYS 66 -1.579 8.562 -3.818 512 2HE LYS 66 2HE LYS 66 -2.191 10.185 -4.107 513 1HZ LYS 66 1HZ LYS 66 -0.282 9.711 -5.511 514 2HZ LYS 66 2HZ LYS 66 0.677 9.396 -4.186 515 3HZ LYS 66 3HZ LYS 66 0.091 10.948 -4.441 516 H SER 67 H SER 67 -6.443 8.904 -2.423 517 HA SER 67 HA SER 67 -7.075 6.907 -0.522 518 1HB SER 67 1HB SER 67 -8.507 6.057 -2.331 519 2HB SER 67 2HB SER 67 -8.851 7.719 -1.880 520 HG SER 67 HG SER 67 -8.255 8.347 -3.811 521 H LEU 68 H LEU 68 -7.168 4.762 -1.261 522 HA LEU 68 HA LEU 68 -4.601 3.759 -1.921 523 1HB LEU 68 1HB LEU 68 -7.314 2.532 -1.631 524 2HB LEU 68 2HB LEU 68 -5.854 1.592 -1.892 525 HG LEU 68 HG LEU 68 -6.080 3.511 0.420 526 1HD1 LEU 68 1HD1 LEU 68 -7.921 1.888 0.568 527 2HD1 LEU 68 2HD1 LEU 68 -6.687 1.631 1.806 528 3HD1 LEU 68 3HD1 LEU 68 -6.739 0.590 0.380 529 1HD2 LEU 68 1HD2 LEU 68 -3.862 2.766 -0.202 530 2HD2 LEU 68 2HD2 LEU 68 -4.400 1.093 -0.140 531 3HD2 LEU 68 3HD2 LEU 68 -4.354 2.054 1.334 532 H LYS 69 H LYS 69 -7.447 4.504 -3.611 533 HA LYS 69 HA LYS 69 -6.913 3.018 -5.999 534 1HB LYS 69 1HB LYS 69 -9.178 3.925 -5.159 535 2HB LYS 69 2HB LYS 69 -8.642 5.493 -5.702 536 1HG LYS 69 1HG LYS 69 -8.984 3.099 -7.511 537 2HG LYS 69 2HG LYS 69 -10.214 4.327 -7.240 538 1HD LYS 69 1HD LYS 69 -8.670 6.014 -8.148 539 2HD LYS 69 2HD LYS 69 -7.483 4.743 -8.444 540 1HE LYS 69 1HE LYS 69 -9.022 3.619 -9.946 541 2HE LYS 69 2HE LYS 69 -10.254 4.835 -9.625 542 1HZ LYS 69 1HZ LYS 69 -9.129 5.250 -11.704 543 2HZ LYS 69 2HZ LYS 69 -7.631 5.337 -10.928 544 3HZ LYS 69 3HZ LYS 69 -8.805 6.496 -10.615 545 H ASP 70 H ASP 70 -6.372 6.292 -4.828 546 HA ASP 70 HA ASP 70 -5.209 7.317 -7.235 547 1HB ASP 70 1HB ASP 70 -6.286 8.608 -5.322 548 2HB ASP 70 2HB ASP 70 -4.801 8.356 -4.444 549 H LEU 71 H LEU 71 -4.089 5.739 -4.397 550 HA LEU 71 HA LEU 71 -1.265 6.099 -4.838 551 1HB LEU 71 1HB LEU 71 -2.789 4.105 -3.167 552 2HB LEU 71 2HB LEU 71 -1.044 4.100 -3.264 553 HG LEU 71 HG LEU 71 -2.669 6.437 -2.158 554 1HD1 LEU 71 1HD1 LEU 71 -2.932 4.461 -0.790 555 2HD1 LEU 71 2HD1 LEU 71 -1.905 5.663 -0.002 556 3HD1 LEU 71 3HD1 LEU 71 -1.184 4.246 -0.766 557 1HD2 LEU 71 1HD2 LEU 71 0.265 5.763 -2.052 558 2HD2 LEU 71 2HD2 LEU 71 -0.517 7.171 -1.335 559 3HD2 LEU 71 3HD2 LEU 71 -0.445 6.999 -3.086 560 H GLY 72 H GLY 72 -3.599 4.135 -6.316 561 1HA GLY 72 1HA GLY 72 -3.198 2.878 -8.254 562 2HA GLY 72 2HA GLY 72 -1.496 2.800 -7.824 563 H VAL 73 H VAL 73 -3.622 2.095 -5.277 564 HA VAL 73 HA VAL 73 -2.765 -0.639 -5.327 565 HB VAL 73 HB VAL 73 -4.651 0.761 -3.398 566 1HG1 VAL 73 1HG1 VAL 73 -4.153 -1.087 -1.877 567 2HG1 VAL 73 2HG1 VAL 73 -3.158 -1.836 -3.124 568 3HG1 VAL 73 3HG1 VAL 73 -4.898 -1.662 -3.371 569 1HG2 VAL 73 1HG2 VAL 73 -1.692 0.231 -3.132 570 2HG2 VAL 73 2HG2 VAL 73 -2.729 0.908 -1.876 571 3HG2 VAL 73 3HG2 VAL 73 -2.449 1.806 -3.371 572 H ARG 74 H ARG 74 -3.692 -1.524 -7.023 573 HA ARG 74 HA ARG 74 -6.634 -1.534 -7.246 574 1HB ARG 74 1HB ARG 74 -4.562 -2.320 -9.300 575 2HB ARG 74 2HB ARG 74 -6.288 -2.196 -9.556 576 1HG ARG 74 1HG ARG 74 -6.189 0.211 -9.256 577 2HG ARG 74 2HG ARG 74 -4.460 0.103 -8.905 578 1HD ARG 74 1HD ARG 74 -4.091 -0.876 -11.130 579 2HD ARG 74 2HD ARG 74 -5.807 -0.680 -11.480 580 HE ARG 74 HE ARG 74 -4.947 1.808 -10.778 581 1HH1 ARG 74 1HH1 ARG 74 -4.010 -0.541 -13.260 582 2HH1 ARG 74 2HH1 ARG 74 -3.475 0.628 -14.376 583 1HH2 ARG 74 1HH2 ARG 74 -4.230 3.390 -12.261 584 2HH2 ARG 74 2HH2 ARG 74 -3.586 2.976 -13.783 585 H ASP 75 H ASP 75 -7.033 -3.800 -8.634 586 HA ASP 75 HA ASP 75 -6.566 -5.859 -6.730 587 1HB ASP 75 1HB ASP 75 -7.558 -6.070 -9.549 588 2HB ASP 75 2HB ASP 75 -7.504 -7.386 -8.418 589 H GLY 76 H GLY 76 -5.351 -7.483 -6.834 590 1HA GLY 76 1HA GLY 76 -3.713 -9.043 -7.660 591 2HA GLY 76 2HA GLY 76 -3.580 -8.058 -9.102 592 H TYR 77 H TYR 77 -3.285 -6.092 -6.459 593 HA TYR 77 HA TYR 77 -0.400 -5.956 -6.780 594 1HB TYR 77 1HB TYR 77 -2.419 -4.147 -5.483 595 2HB TYR 77 2HB TYR 77 -0.696 -3.947 -5.203 596 HD1 TYR 77 HD1 TYR 77 0.400 -2.454 -6.515 597 HD2 TYR 77 HD2 TYR 77 -3.048 -4.338 -8.111 598 HE1 TYR 77 HE1 TYR 77 0.624 -1.112 -8.559 599 HE2 TYR 77 HE2 TYR 77 -2.830 -2.993 -10.169 600 HH TYR 77 HH TYR 77 -0.027 -1.288 -10.885 601 H ARG 78 H ARG 78 1.015 -5.878 -5.000 602 HA ARG 78 HA ARG 78 -0.017 -7.337 -2.685 603 1HB ARG 78 1HB ARG 78 2.187 -8.390 -2.418 604 2HB ARG 78 2HB ARG 78 1.535 -8.743 -4.012 605 1HG ARG 78 1HG ARG 78 2.947 -7.095 -5.008 606 2HG ARG 78 2HG ARG 78 3.526 -6.590 -3.420 607 1HD ARG 78 1HD ARG 78 5.205 -7.960 -4.439 608 2HD ARG 78 2HD ARG 78 4.476 -8.872 -3.127 609 HE ARG 78 HE ARG 78 3.060 -9.789 -5.126 610 1HH1 ARG 78 1HH1 ARG 78 6.534 -9.148 -4.993 611 2HH1 ARG 78 2HH1 ARG 78 6.978 -10.324 -6.129 612 1HH2 ARG 78 1HH2 ARG 78 3.622 -11.452 -6.662 613 2HH2 ARG 78 2HH2 ARG 78 5.246 -11.708 -7.100 614 H ILE 79 H ILE 79 0.417 -6.472 -0.753 615 HA ILE 79 HA ILE 79 1.988 -4.004 -0.774 616 HB ILE 79 HB ILE 79 -0.448 -4.657 0.906 617 1HG1 ILE 79 1HG1 ILE 79 -0.978 -3.908 -1.363 618 2HG1 ILE 79 2HG1 ILE 79 -1.444 -2.686 -0.187 619 1HG2 ILE 79 1HG2 ILE 79 -0.179 -2.438 1.936 620 2HG2 ILE 79 2HG2 ILE 79 1.350 -2.243 1.074 621 3HG2 ILE 79 3HG2 ILE 79 1.184 -3.501 2.294 622 1HD1 ILE 79 1HD1 ILE 79 0.580 -1.410 -0.757 623 2HD1 ILE 79 2HD1 ILE 79 -0.470 -1.672 -2.147 624 3HD1 ILE 79 3HD1 ILE 79 0.996 -2.628 -1.964 625 H HIS 80 H HIS 80 3.718 -4.050 0.295 626 HA HIS 80 HA HIS 80 4.116 -6.186 2.266 627 1HB HIS 80 1HB HIS 80 5.569 -6.422 0.349 628 2HB HIS 80 2HB HIS 80 6.044 -4.730 0.468 629 HD1 HIS 80 HD1 HIS 80 6.435 -8.006 2.286 630 HD2 HIS 80 HD2 HIS 80 8.106 -4.212 2.080 631 HE1 HIS 80 HE1 HIS 80 8.376 -8.103 3.845 632 HE2 HIS 80 HE2 HIS 80 9.610 -5.936 3.405 633 H ALA 81 H ALA 81 4.504 -5.612 4.290 634 HA ALA 81 HA ALA 81 5.263 -2.820 4.811 635 1HB ALA 81 1HB ALA 81 4.197 -3.078 6.982 636 2HB ALA 81 2HB ALA 81 3.718 -4.730 6.565 637 3HB ALA 81 3HB ALA 81 3.056 -3.361 5.673 638 H VAL 82 H VAL 82 6.896 -2.412 6.263 639 HA VAL 82 HA VAL 82 8.283 -4.710 7.361 640 HB VAL 82 HB VAL 82 9.420 -4.134 5.290 641 1HG1 VAL 82 1HG1 VAL 82 8.787 -1.840 5.024 642 2HG1 VAL 82 2HG1 VAL 82 10.548 -1.977 4.958 643 3HG1 VAL 82 3HG1 VAL 82 9.763 -1.373 6.416 644 1HG2 VAL 82 1HG2 VAL 82 10.828 -4.926 7.108 645 2HG2 VAL 82 2HG2 VAL 82 11.022 -3.276 7.700 646 3HG2 VAL 82 3HG2 VAL 82 11.708 -3.739 6.142 647 H ASP 83 H ASP 83 8.949 -4.436 9.361 648 HA ASP 83 HA ASP 83 8.370 -1.882 10.684 649 1HB ASP 83 1HB ASP 83 7.363 -3.817 11.725 650 2HB ASP 83 2HB ASP 83 8.951 -4.594 11.831 651 H VAL 84 H VAL 84 9.936 -0.532 11.029 652 HA VAL 84 HA VAL 84 12.652 -1.555 11.256 653 HB VAL 84 HB VAL 84 13.386 0.710 10.879 654 1HG1 VAL 84 1HG1 VAL 84 11.422 -0.239 8.792 655 2HG1 VAL 84 2HG1 VAL 84 13.114 -0.714 8.930 656 3HG1 VAL 84 3HG1 VAL 84 12.698 0.942 8.501 657 1HG2 VAL 84 1HG2 VAL 84 11.561 1.982 11.832 658 2HG2 VAL 84 2HG2 VAL 84 10.474 1.419 10.566 659 3HG2 VAL 84 3HG2 VAL 84 11.819 2.485 10.161 660 H THR 85 H THR 85 10.213 -1.011 13.240 661 HA THR 85 HA THR 85 11.228 0.789 15.200 662 HB THR 85 HB THR 85 9.255 -1.451 15.608 663 HG1 THR 85 HG1 THR 85 8.161 -0.525 14.162 664 1HG2 THR 85 1HG2 THR 85 9.934 -0.237 17.630 665 2HG2 THR 85 2HG2 THR 85 8.252 0.122 17.223 666 3HG2 THR 85 3HG2 THR 85 9.517 1.292 16.858 667 H GLY 86 H GLY 86 11.324 -2.670 14.665 668 1HA GLY 86 1HA GLY 86 12.983 -2.999 17.073 669 2HA GLY 86 2HA GLY 86 12.216 -4.308 16.177 670 H GLY 87 H GLY 87 13.548 -1.998 14.185 671 1HA GLY 87 1HA GLY 87 15.298 -2.052 12.693 672 2HA GLY 87 2HA GLY 87 16.229 -2.818 13.979 673 H ASN 88 H ASN 88 13.315 -3.958 12.370 674 HA ASN 88 HA ASN 88 14.633 -6.511 11.988 675 1HB ASN 88 1HB ASN 88 11.747 -5.678 11.751 676 2HB ASN 88 2HB ASN 88 12.340 -7.293 11.395 677 1HD2 ASN 88 1HD2 ASN 88 10.453 -6.319 13.423 678 2HD2 ASN 88 2HD2 ASN 88 11.079 -6.893 14.926 679 H GLU 89 H GLU 89 15.464 -7.030 10.178 680 HA GLU 89 HA GLU 89 14.097 -6.648 7.714 681 1HB GLU 89 1HB GLU 89 15.989 -5.505 6.546 682 2HB GLU 89 2HB GLU 89 15.182 -4.495 7.726 683 1HG GLU 89 1HG GLU 89 17.034 -4.945 9.304 684 2HG GLU 89 2HG GLU 89 17.845 -5.869 8.035 685 H ASP 90 H ASP 90 15.480 -8.545 9.674 686 HA ASP 90 HA ASP 90 17.167 -10.029 7.820 687 1HB ASP 90 1HB ASP 90 18.106 -9.670 10.062 688 2HB ASP 90 2HB ASP 90 16.670 -10.354 10.802 Start of MODEL 13 1 H MET 1 H MET 1 -20.265 4.528 -1.747 2 HA MET 1 HA MET 1 -20.007 4.051 -4.043 3 1HB MET 1 1HB MET 1 -18.956 6.173 -4.728 4 2HB MET 1 2HB MET 1 -17.525 5.764 -3.793 5 1HG MET 1 1HG MET 1 -17.154 3.817 -5.225 6 2HG MET 1 2HG MET 1 -18.561 4.264 -6.185 7 1HE MET 1 1HE MET 1 -15.588 5.026 -8.577 8 2HE MET 1 2HE MET 1 -17.110 4.165 -8.358 9 3HE MET 1 3HE MET 1 -15.698 3.709 -7.407 10 H THR 2 H THR 2 -19.674 1.958 -3.555 11 HA THR 2 HA THR 2 -17.298 1.388 -2.024 12 HB THR 2 HB THR 2 -19.290 0.458 -1.023 13 HG1 THR 2 HG1 THR 2 -18.096 -1.846 -2.105 14 1HG2 THR 2 1HG2 THR 2 -20.727 0.228 -2.994 15 2HG2 THR 2 2HG2 THR 2 -20.628 -1.308 -2.134 16 3HG2 THR 2 3HG2 THR 2 -19.697 -1.062 -3.611 17 H GLU 3 H GLU 3 -15.545 0.861 -3.007 18 HA GLU 3 HA GLU 3 -15.640 -1.115 -5.117 19 1HB GLU 3 1HB GLU 3 -15.274 1.139 -6.204 20 2HB GLU 3 2HB GLU 3 -13.868 1.368 -5.177 21 1HG GLU 3 1HG GLU 3 -12.748 -0.511 -6.216 22 2HG GLU 3 2HG GLU 3 -14.181 -0.867 -7.172 23 H VAL 4 H VAL 4 -14.166 -2.656 -4.803 24 HA VAL 4 HA VAL 4 -12.306 -2.295 -2.594 25 HB VAL 4 HB VAL 4 -12.889 -4.562 -1.713 26 1HG1 VAL 4 1HG1 VAL 4 -13.795 -2.613 -0.593 27 2HG1 VAL 4 2HG1 VAL 4 -14.976 -3.920 -0.581 28 3HG1 VAL 4 3HG1 VAL 4 -15.160 -2.581 -1.709 29 1HG2 VAL 4 1HG2 VAL 4 -15.260 -4.342 -3.572 30 2HG2 VAL 4 2HG2 VAL 4 -15.033 -5.590 -2.346 31 3HG2 VAL 4 3HG2 VAL 4 -13.934 -5.492 -3.724 32 H TYR 5 H TYR 5 -10.455 -3.373 -2.735 33 HA TYR 5 HA TYR 5 -9.963 -5.113 -5.085 34 1HB TYR 5 1HB TYR 5 -7.865 -3.987 -5.468 35 2HB TYR 5 2HB TYR 5 -9.142 -2.793 -5.480 36 HD1 TYR 5 HD1 TYR 5 -9.456 -1.430 -3.269 37 HD2 TYR 5 HD2 TYR 5 -6.015 -3.684 -4.249 38 HE1 TYR 5 HE1 TYR 5 -8.111 -0.089 -1.685 39 HE2 TYR 5 HE2 TYR 5 -4.709 -2.360 -2.682 40 HH TYR 5 HH TYR 5 -4.733 -0.246 -1.695 41 H ASP 6 H ASP 6 -8.815 -6.801 -4.828 42 HA ASP 6 HA ASP 6 -8.230 -7.587 -2.090 43 1HB ASP 6 1HB ASP 6 -8.096 -9.116 -4.695 44 2HB ASP 6 2HB ASP 6 -7.664 -9.787 -3.132 45 H LEU 7 H LEU 7 -6.331 -7.766 -1.299 46 HA LEU 7 HA LEU 7 -4.005 -7.155 -2.957 47 1HB LEU 7 1HB LEU 7 -4.716 -6.376 -0.171 48 2HB LEU 7 2HB LEU 7 -3.069 -6.364 -0.746 49 HG LEU 7 HG LEU 7 -5.315 -4.716 -1.926 50 1HD1 LEU 7 1HD1 LEU 7 -4.723 -4.036 0.360 51 2HD1 LEU 7 2HD1 LEU 7 -4.148 -2.845 -0.806 52 3HD1 LEU 7 3HD1 LEU 7 -3.024 -4.000 -0.087 53 1HD2 LEU 7 1HD2 LEU 7 -3.390 -3.591 -3.090 54 2HD2 LEU 7 2HD2 LEU 7 -3.618 -5.255 -3.558 55 3HD2 LEU 7 3HD2 LEU 7 -2.338 -4.842 -2.432 56 H GLU 8 H GLU 8 -2.117 -8.112 -2.355 57 HA GLU 8 HA GLU 8 -2.380 -10.540 -0.730 58 1HB GLU 8 1HB GLU 8 -1.670 -10.851 -3.037 59 2HB GLU 8 2HB GLU 8 -0.361 -9.693 -2.814 60 1HG GLU 8 1HG GLU 8 0.629 -11.255 -1.163 61 2HG GLU 8 2HG GLU 8 -0.652 -12.411 -1.542 62 H ILE 9 H ILE 9 -1.643 -10.210 1.181 63 HA ILE 9 HA ILE 9 0.006 -7.833 1.695 64 HB ILE 9 HB ILE 9 -1.553 -9.487 3.660 65 1HG1 ILE 9 1HG1 ILE 9 -3.070 -8.332 2.121 66 2HG1 ILE 9 2HG1 ILE 9 -3.166 -7.606 3.718 67 1HG2 ILE 9 1HG2 ILE 9 -0.182 -6.824 4.034 68 2HG2 ILE 9 2HG2 ILE 9 0.308 -8.363 4.741 69 3HG2 ILE 9 3HG2 ILE 9 -1.209 -7.611 5.235 70 1HD1 ILE 9 1HD1 ILE 9 -1.668 -6.507 1.347 71 2HD1 ILE 9 2HD1 ILE 9 -1.728 -5.771 2.950 72 3HD1 ILE 9 3HD1 ILE 9 -3.200 -5.911 1.987 73 H THR 10 H THR 10 1.916 -7.958 2.247 74 HA THR 10 HA THR 10 2.969 -10.333 3.529 75 HB THR 10 HB THR 10 4.244 -10.699 1.796 76 HG1 THR 10 HG1 THR 10 6.258 -9.898 1.868 77 1HG2 THR 10 1HG2 THR 10 4.006 -7.832 0.843 78 2HG2 THR 10 2HG2 THR 10 3.088 -9.210 0.242 79 3HG2 THR 10 3HG2 THR 10 4.825 -9.115 -0.045 80 H THR 11 H THR 11 4.868 -9.943 4.687 81 HA THR 11 HA THR 11 5.249 -7.303 5.818 82 HB THR 11 HB THR 11 4.473 -9.422 7.748 83 HG1 THR 11 HG1 THR 11 2.793 -7.945 6.073 84 1HG2 THR 11 1HG2 THR 11 3.848 -7.485 9.218 85 2HG2 THR 11 2HG2 THR 11 4.378 -6.398 7.934 86 3HG2 THR 11 3HG2 THR 11 5.533 -7.475 8.714 87 H ASN 12 H ASN 12 6.894 -7.482 7.588 88 HA ASN 12 HA ASN 12 8.903 -9.400 6.802 89 1HB ASN 12 1HB ASN 12 10.382 -8.152 8.316 90 2HB ASN 12 2HB ASN 12 9.658 -7.105 7.110 91 1HD2 ASN 12 1HD2 ASN 12 10.872 -6.488 9.626 92 2HD2 ASN 12 2HD2 ASN 12 9.704 -5.627 10.573 93 H ALA 13 H ALA 13 6.575 -8.915 9.215 94 HA ALA 13 HA ALA 13 7.706 -10.658 11.150 95 1HB ALA 13 1HB ALA 13 6.166 -8.875 11.810 96 2HB ALA 13 2HB ALA 13 5.544 -10.455 12.291 97 3HB ALA 13 3HB ALA 13 4.875 -9.638 10.881 98 H THR 14 H THR 14 5.361 -10.952 8.494 99 HA THR 14 HA THR 14 5.254 -13.825 9.002 100 HB THR 14 HB THR 14 3.164 -13.771 7.656 101 HG1 THR 14 HG1 THR 14 3.531 -11.810 6.609 102 1HG2 THR 14 1HG2 THR 14 3.036 -13.803 10.101 103 2HG2 THR 14 2HG2 THR 14 1.730 -12.823 9.436 104 3HG2 THR 14 3HG2 THR 14 3.144 -12.043 10.145 105 H ASP 15 H ASP 15 6.141 -15.035 7.487 106 HA ASP 15 HA ASP 15 7.353 -13.847 5.149 107 1HB ASP 15 1HB ASP 15 8.499 -15.595 6.463 108 2HB ASP 15 2HB ASP 15 7.234 -16.740 6.037 109 H PHE 16 H PHE 16 4.545 -15.655 5.892 110 HA PHE 16 HA PHE 16 4.057 -16.401 3.141 111 1HB PHE 16 1HB PHE 16 2.470 -16.981 5.641 112 2HB PHE 16 2HB PHE 16 2.161 -17.662 4.049 113 HD1 PHE 16 HD1 PHE 16 4.360 -17.737 6.974 114 HD2 PHE 16 HD2 PHE 16 3.631 -19.325 3.106 115 HE1 PHE 16 HE1 PHE 16 5.955 -19.550 7.428 116 HE2 PHE 16 HE2 PHE 16 5.226 -21.149 3.552 117 HZ PHE 16 HZ PHE 16 6.386 -21.262 5.709 118 HA PRO 17 HA PRO 17 1.611 -12.628 2.716 119 1HB PRO 17 1HB PRO 17 1.121 -13.572 -0.008 120 2HB PRO 17 2HB PRO 17 1.989 -12.132 0.526 121 1HG PRO 17 1HG PRO 17 3.229 -14.262 -0.609 122 2HG PRO 17 2HG PRO 17 4.008 -13.209 0.584 123 1HD PRO 17 1HD PRO 17 2.821 -15.934 0.957 124 2HD PRO 17 2HD PRO 17 4.280 -15.196 1.659 125 H MET 18 H MET 18 -0.564 -12.212 2.694 126 HA MET 18 HA MET 18 -2.402 -14.512 2.318 127 1HB MET 18 1HB MET 18 -2.659 -12.329 4.405 128 2HB MET 18 2HB MET 18 -3.721 -13.710 4.194 129 1HG MET 18 1HG MET 18 -0.833 -13.826 5.020 130 2HG MET 18 2HG MET 18 -2.216 -13.983 6.097 131 1HE MET 18 1HE MET 18 -0.587 -17.573 5.934 132 2HE MET 18 2HE MET 18 -1.025 -16.226 6.988 133 3HE MET 18 3HE MET 18 0.267 -16.038 5.800 134 H GLU 19 H GLU 19 -4.314 -14.020 1.206 135 HA GLU 19 HA GLU 19 -4.396 -11.432 -0.077 136 1HB GLU 19 1HB GLU 19 -6.293 -13.766 -0.328 137 2HB GLU 19 2HB GLU 19 -6.434 -12.284 -1.228 138 1HG GLU 19 1HG GLU 19 -5.495 -13.944 -2.651 139 2HG GLU 19 2HG GLU 19 -4.259 -12.746 -2.308 140 H LYS 20 H LYS 20 -5.596 -9.758 0.505 141 HA LYS 20 HA LYS 20 -7.788 -10.210 2.290 142 1HB LYS 20 1HB LYS 20 -5.552 -8.311 2.652 143 2HB LYS 20 2HB LYS 20 -7.129 -8.118 3.410 144 1HG LYS 20 1HG LYS 20 -6.889 -10.389 4.361 145 2HG LYS 20 2HG LYS 20 -5.267 -10.451 3.681 146 1HD LYS 20 1HD LYS 20 -5.261 -9.946 5.965 147 2HD LYS 20 2HD LYS 20 -4.633 -8.555 5.027 148 1HE LYS 20 1HE LYS 20 -6.829 -7.458 5.325 149 2HE LYS 20 2HE LYS 20 -7.405 -8.856 6.233 150 1HZ LYS 20 1HZ LYS 20 -6.737 -7.084 7.702 151 2HZ LYS 20 2HZ LYS 20 -5.179 -7.064 7.036 152 3HZ LYS 20 3HZ LYS 20 -5.706 -8.397 7.896 153 H LYS 21 H LYS 21 -9.287 -8.568 2.294 154 HA LYS 21 HA LYS 21 -9.567 -7.220 -0.316 155 1HB LYS 21 1HB LYS 21 -11.327 -8.772 0.445 156 2HB LYS 21 2HB LYS 21 -11.637 -7.742 1.836 157 1HG LYS 21 1HG LYS 21 -13.316 -7.169 0.309 158 2HG LYS 21 2HG LYS 21 -12.112 -5.902 0.111 159 1HD LYS 21 1HD LYS 21 -12.686 -6.471 -2.096 160 2HD LYS 21 2HD LYS 21 -11.197 -7.368 -1.816 161 1HE LYS 21 1HE LYS 21 -14.007 -8.489 -1.625 162 2HE LYS 21 2HE LYS 21 -12.927 -8.698 -2.987 163 1HZ LYS 21 1HZ LYS 21 -11.423 -9.915 -1.561 164 2HZ LYS 21 2HZ LYS 21 -12.935 -10.640 -1.614 165 3HZ LYS 21 3HZ LYS 21 -12.485 -9.794 -0.237 166 H TYR 22 H TYR 22 -9.414 -4.994 -0.414 167 HA TYR 22 HA TYR 22 -10.062 -3.504 1.987 168 1HB TYR 22 1HB TYR 22 -7.577 -3.162 0.314 169 2HB TYR 22 2HB TYR 22 -8.194 -1.862 1.328 170 HD1 TYR 22 HD1 TYR 22 -8.242 -2.110 3.749 171 HD2 TYR 22 HD2 TYR 22 -6.447 -5.080 1.304 172 HE1 TYR 22 HE1 TYR 22 -7.096 -3.013 5.718 173 HE2 TYR 22 HE2 TYR 22 -5.287 -6.000 3.275 174 HH TYR 22 HH TYR 22 -6.101 -4.948 6.466 175 HA PRO 23 HA PRO 23 -12.468 -1.072 -0.851 176 1HB PRO 23 1HB PRO 23 -12.329 1.237 0.864 177 2HB PRO 23 2HB PRO 23 -13.698 0.162 0.619 178 1HG PRO 23 1HG PRO 23 -12.283 0.337 2.964 179 2HG PRO 23 2HG PRO 23 -13.183 -1.100 2.465 180 1HD PRO 23 1HD PRO 23 -10.259 -0.549 2.350 181 2HD PRO 23 2HD PRO 23 -11.128 -2.062 2.688 182 H ALA 24 H ALA 24 -11.924 0.091 -2.574 183 HA ALA 24 HA ALA 24 -9.286 1.152 -2.813 184 1HB ALA 24 1HB ALA 24 -11.612 1.524 -4.684 185 2HB ALA 24 2HB ALA 24 -10.545 0.124 -4.673 186 3HB ALA 24 3HB ALA 24 -9.902 1.711 -5.077 187 H GLY 25 H GLY 25 -12.242 2.513 -2.007 188 1HA GLY 25 1HA GLY 25 -11.393 5.256 -2.478 189 2HA GLY 25 2HA GLY 25 -12.928 4.754 -1.783 190 H MET 26 H MET 26 -10.721 3.101 -0.096 191 HA MET 26 HA MET 26 -10.979 4.873 2.167 192 1HB MET 26 1HB MET 26 -11.234 2.379 2.287 193 2HB MET 26 2HB MET 26 -9.523 2.233 1.927 194 1HG MET 26 1HG MET 26 -9.034 3.468 4.008 195 2HG MET 26 2HG MET 26 -10.759 3.491 4.366 196 1HE MET 26 1HE MET 26 -8.552 0.605 2.755 197 2HE MET 26 2HE MET 26 -8.065 -0.231 4.238 198 3HE MET 26 3HE MET 26 -7.570 1.430 3.955 199 H SER 27 H SER 27 -8.935 5.280 3.526 200 HA SER 27 HA SER 27 -6.797 6.299 1.836 201 1HB SER 27 1HB SER 27 -6.166 7.370 3.946 202 2HB SER 27 2HB SER 27 -7.811 7.772 3.449 203 HG SER 27 HG SER 27 -7.887 7.266 5.573 204 H LEU 28 H LEU 28 -4.720 5.772 2.141 205 HA LEU 28 HA LEU 28 -4.020 3.151 2.996 206 1HB LEU 28 1HB LEU 28 -2.843 4.800 1.363 207 2HB LEU 28 2HB LEU 28 -2.198 5.530 2.772 208 HG LEU 28 HG LEU 28 -0.554 4.031 1.630 209 1HD1 LEU 28 1HD1 LEU 28 -0.269 4.592 3.968 210 2HD1 LEU 28 2HD1 LEU 28 0.305 2.962 3.602 211 3HD1 LEU 28 3HD1 LEU 28 -1.243 3.191 4.413 212 1HD2 LEU 28 1HD2 LEU 28 -0.752 1.621 1.893 213 2HD2 LEU 28 2HD2 LEU 28 -2.073 2.270 0.920 214 3HD2 LEU 28 3HD2 LEU 28 -2.350 1.821 2.605 215 H ASN 29 H ASN 29 -4.229 6.204 4.470 216 HA ASN 29 HA ASN 29 -2.804 5.902 6.893 217 1HB ASN 29 1HB ASN 29 -5.436 7.355 6.515 218 2HB ASN 29 2HB ASN 29 -4.418 7.486 7.928 219 1HD2 ASN 29 1HD2 ASN 29 -1.938 7.551 6.231 220 2HD2 ASN 29 2HD2 ASN 29 -1.928 9.124 5.561 221 H ASP 30 H ASP 30 -6.183 5.056 6.177 222 HA ASP 30 HA ASP 30 -6.764 4.034 8.757 223 1HB ASP 30 1HB ASP 30 -8.443 4.785 7.057 224 2HB ASP 30 2HB ASP 30 -8.084 3.338 6.142 225 H LEU 31 H LEU 31 -5.724 2.637 5.759 226 HA LEU 31 HA LEU 31 -5.874 -0.143 6.457 227 1HB LEU 31 1HB LEU 31 -5.550 1.034 4.128 228 2HB LEU 31 2HB LEU 31 -3.878 1.127 4.566 229 HG LEU 31 HG LEU 31 -5.389 -1.477 4.213 230 1HD1 LEU 31 1HD1 LEU 31 -5.232 -0.286 2.114 231 2HD1 LEU 31 2HD1 LEU 31 -4.163 -1.687 2.112 232 3HD1 LEU 31 3HD1 LEU 31 -3.496 -0.069 2.343 233 1HD2 LEU 31 1HD2 LEU 31 -3.173 -2.501 4.154 234 2HD2 LEU 31 2HD2 LEU 31 -3.458 -1.680 5.688 235 3HD2 LEU 31 3HD2 LEU 31 -2.432 -0.931 4.465 236 H LYS 32 H LYS 32 -3.311 2.235 6.607 237 HA LYS 32 HA LYS 32 -1.278 0.735 7.848 238 1HB LYS 32 1HB LYS 32 -2.009 3.594 7.676 239 2HB LYS 32 2HB LYS 32 -0.848 3.152 8.905 240 1HG LYS 32 1HG LYS 32 -0.271 1.982 6.320 241 2HG LYS 32 2HG LYS 32 -0.344 3.742 6.281 242 1HD LYS 32 1HD LYS 32 1.944 2.866 6.813 243 2HD LYS 32 2HD LYS 32 1.287 3.941 8.042 244 1HE LYS 32 1HE LYS 32 0.557 1.893 9.321 245 2HE LYS 32 2HE LYS 32 1.399 0.928 8.119 246 1HZ LYS 32 1HZ LYS 32 2.582 1.327 10.150 247 2HZ LYS 32 2HZ LYS 32 2.743 2.986 9.785 248 3HZ LYS 32 3HZ LYS 32 3.456 1.819 8.797 249 H LYS 33 H LYS 33 -3.782 2.743 9.430 250 HA LYS 33 HA LYS 33 -2.990 2.194 12.070 251 1HB LYS 33 1HB LYS 33 -4.433 3.926 10.984 252 2HB LYS 33 2HB LYS 33 -5.714 2.720 11.044 253 1HG LYS 33 1HG LYS 33 -5.474 2.537 13.411 254 2HG LYS 33 2HG LYS 33 -4.131 3.687 13.385 255 1HD LYS 33 1HD LYS 33 -6.917 4.159 12.526 256 2HD LYS 33 2HD LYS 33 -6.093 4.660 14.043 257 1HE LYS 33 1HE LYS 33 -4.575 6.102 12.764 258 2HE LYS 33 2HE LYS 33 -5.304 5.587 11.250 259 1HZ LYS 33 1HZ LYS 33 -6.666 7.154 13.369 260 2HZ LYS 33 2HZ LYS 33 -7.361 6.638 11.921 261 3HZ LYS 33 3HZ LYS 33 -6.106 7.744 11.894 262 H LYS 34 H LYS 34 -5.074 0.384 9.795 263 HA LYS 34 HA LYS 34 -5.965 -1.409 11.727 264 1HB LYS 34 1HB LYS 34 -6.138 -0.835 8.933 265 2HB LYS 34 2HB LYS 34 -6.282 -2.527 9.159 266 1HG LYS 34 1HG LYS 34 -8.505 -1.518 9.157 267 2HG LYS 34 2HG LYS 34 -8.160 -1.994 10.813 268 1HD LYS 34 1HD LYS 34 -7.522 0.286 11.374 269 2HD LYS 34 2HD LYS 34 -7.769 0.788 9.704 270 1HE LYS 34 1HE LYS 34 -9.878 -0.287 11.563 271 2HE LYS 34 2HE LYS 34 -9.646 1.408 11.149 272 1HZ LYS 34 1HZ LYS 34 -10.381 -0.757 9.247 273 2HZ LYS 34 2HZ LYS 34 -10.086 0.855 8.835 274 3HZ LYS 34 3HZ LYS 34 -11.405 0.463 9.820 275 H LEU 35 H LEU 35 -3.234 -1.278 9.507 276 HA LEU 35 HA LEU 35 -2.251 -3.872 10.052 277 1HB LEU 35 1HB LEU 35 -1.184 -1.352 8.932 278 2HB LEU 35 2HB LEU 35 -0.073 -2.644 9.113 279 HG LEU 35 HG LEU 35 -2.502 -2.476 7.341 280 1HD1 LEU 35 1HD1 LEU 35 0.431 -2.850 6.767 281 2HD1 LEU 35 2HD1 LEU 35 -0.505 -1.370 6.529 282 3HD1 LEU 35 3HD1 LEU 35 -0.854 -2.801 5.562 283 1HD2 LEU 35 1HD2 LEU 35 -2.440 -4.753 8.232 284 2HD2 LEU 35 2HD2 LEU 35 -0.735 -4.881 7.807 285 3HD2 LEU 35 3HD2 LEU 35 -1.949 -4.739 6.537 286 H GLU 36 H GLU 36 -1.785 -0.682 11.464 287 HA GLU 36 HA GLU 36 0.268 -1.266 13.210 288 1HB GLU 36 1HB GLU 36 -1.996 0.646 13.264 289 2HB GLU 36 2HB GLU 36 -0.748 0.752 14.450 290 1HG GLU 36 1HG GLU 36 -0.550 1.077 11.503 291 2HG GLU 36 2HG GLU 36 -0.286 2.333 12.758 292 H LEU 37 H LEU 37 -3.140 -1.781 13.383 293 HA LEU 37 HA LEU 37 -3.258 -2.525 16.119 294 1HB LEU 37 1HB LEU 37 -5.232 -1.931 14.756 295 2HB LEU 37 2HB LEU 37 -5.016 -3.393 13.830 296 HG LEU 37 HG LEU 37 -5.454 -4.736 15.857 297 1HD1 LEU 37 1HD1 LEU 37 -4.740 -3.147 17.554 298 2HD1 LEU 37 2HD1 LEU 37 -6.404 -3.654 17.836 299 3HD1 LEU 37 3HD1 LEU 37 -6.074 -2.073 17.130 300 1HD2 LEU 37 1HD2 LEU 37 -7.858 -4.283 15.957 301 2HD2 LEU 37 2HD2 LEU 37 -7.253 -4.235 14.300 302 3HD2 LEU 37 3HD2 LEU 37 -7.594 -2.732 15.159 303 H VAL 38 H VAL 38 -2.359 -4.156 13.224 304 HA VAL 38 HA VAL 38 -2.380 -6.795 14.427 305 HB VAL 38 HB VAL 38 -1.301 -5.929 11.726 306 1HG1 VAL 38 1HG1 VAL 38 -0.312 -8.032 12.463 307 2HG1 VAL 38 2HG1 VAL 38 -1.426 -8.306 11.122 308 3HG1 VAL 38 3HG1 VAL 38 -1.916 -8.692 12.772 309 1HG2 VAL 38 1HG2 VAL 38 -3.685 -5.504 11.886 310 2HG2 VAL 38 2HG2 VAL 38 -3.959 -7.151 12.451 311 3HG2 VAL 38 3HG2 VAL 38 -3.383 -6.867 10.808 312 H VAL 39 H VAL 39 0.011 -4.401 13.402 313 HA VAL 39 HA VAL 39 2.247 -6.064 14.317 314 HB VAL 39 HB VAL 39 2.338 -3.234 13.273 315 1HG1 VAL 39 1HG1 VAL 39 4.352 -3.917 14.490 316 2HG1 VAL 39 2HG1 VAL 39 4.692 -3.753 12.766 317 3HG1 VAL 39 3HG1 VAL 39 4.488 -5.355 13.476 318 1HG2 VAL 39 1HG2 VAL 39 1.329 -4.668 11.586 319 2HG2 VAL 39 2HG2 VAL 39 2.664 -5.813 11.737 320 3HG2 VAL 39 3HG2 VAL 39 2.957 -4.198 11.096 321 H GLY 40 H GLY 40 0.372 -3.460 15.568 322 1HA GLY 40 1HA GLY 40 0.302 -2.693 17.703 323 2HA GLY 40 2HA GLY 40 1.526 -3.882 18.131 324 H THR 41 H THR 41 2.269 -1.814 15.469 325 HA THR 41 HA THR 41 4.201 -0.508 17.250 326 HB THR 41 HB THR 41 5.210 -1.767 15.417 327 HG1 THR 41 HG1 THR 41 6.356 -0.013 14.368 328 1HG2 THR 41 1HG2 THR 41 4.934 -1.087 13.078 329 2HG2 THR 41 2HG2 THR 41 3.728 0.102 13.573 330 3HG2 THR 41 3HG2 THR 41 3.404 -1.615 13.778 331 H THR 42 H THR 42 4.819 1.546 15.526 332 HA THR 42 HA THR 42 2.346 3.153 15.532 333 HB THR 42 HB THR 42 5.033 4.384 15.928 334 HG1 THR 42 HG1 THR 42 4.955 3.313 17.853 335 1HG2 THR 42 1HG2 THR 42 3.204 5.875 15.368 336 2HG2 THR 42 2HG2 THR 42 3.709 6.168 17.032 337 3HG2 THR 42 3HG2 THR 42 2.242 5.250 16.708 338 H VAL 43 H VAL 43 2.411 4.857 14.039 339 HA VAL 43 HA VAL 43 2.640 3.718 11.474 340 HB VAL 43 HB VAL 43 2.062 6.616 12.131 341 1HG1 VAL 43 1HG1 VAL 43 0.940 6.707 9.964 342 2HG1 VAL 43 2HG1 VAL 43 1.473 5.059 9.633 343 3HG1 VAL 43 3HG1 VAL 43 2.663 6.354 9.795 344 1HG2 VAL 43 1HG2 VAL 43 -0.297 5.974 11.939 345 2HG2 VAL 43 2HG2 VAL 43 0.512 5.097 13.239 346 3HG2 VAL 43 3HG2 VAL 43 0.185 4.294 11.705 347 H ASP 44 H ASP 44 4.607 6.228 12.946 348 HA ASP 44 HA ASP 44 5.995 7.040 10.650 349 1HB ASP 44 1HB ASP 44 6.004 8.344 12.702 350 2HB ASP 44 2HB ASP 44 6.885 7.058 13.513 351 H SER 45 H SER 45 6.839 4.446 12.998 352 HA SER 45 HA SER 45 9.401 3.938 11.869 353 1HB SER 45 1HB SER 45 7.701 2.502 13.843 354 2HB SER 45 2HB SER 45 9.421 2.294 13.542 355 HG SER 45 HG SER 45 8.680 3.672 15.348 356 H MET 46 H MET 46 6.422 3.206 10.790 357 HA MET 46 HA MET 46 7.240 0.523 9.888 358 1HB MET 46 1HB MET 46 5.520 0.622 11.725 359 2HB MET 46 2HB MET 46 4.484 1.455 10.610 360 1HG MET 46 1HG MET 46 5.506 -1.326 10.152 361 2HG MET 46 2HG MET 46 3.982 -0.949 10.933 362 1HE MET 46 1HE MET 46 2.545 -2.264 7.735 363 2HE MET 46 2HE MET 46 2.454 -2.180 9.496 364 3HE MET 46 3HE MET 46 3.859 -2.919 8.720 365 H ARG 47 H ARG 47 7.485 0.476 7.774 366 HA ARG 47 HA ARG 47 6.000 2.409 6.195 367 1HB ARG 47 1HB ARG 47 8.808 1.518 5.826 368 2HB ARG 47 2HB ARG 47 7.887 2.016 4.417 369 1HG ARG 47 1HG ARG 47 9.096 3.920 5.172 370 2HG ARG 47 2HG ARG 47 7.416 4.177 5.608 371 1HD ARG 47 1HD ARG 47 8.672 4.879 7.455 372 2HD ARG 47 2HD ARG 47 8.039 3.300 7.908 373 HE ARG 47 HE ARG 47 10.447 2.727 6.833 374 1HH1 ARG 47 1HH1 ARG 47 9.418 4.855 9.525 375 2HH1 ARG 47 2HH1 ARG 47 10.927 4.813 10.285 376 1HH2 ARG 47 1HH2 ARG 47 12.571 2.744 7.959 377 2HH2 ARG 47 2HH2 ARG 47 12.710 3.608 9.409 378 H ILE 48 H ILE 48 5.168 2.050 4.234 379 HA ILE 48 HA ILE 48 4.386 -0.748 3.781 380 HB ILE 48 HB ILE 48 3.030 1.836 2.960 381 1HG1 ILE 48 1HG1 ILE 48 2.874 1.454 5.361 382 2HG1 ILE 48 2HG1 ILE 48 1.301 1.232 4.604 383 1HG2 ILE 48 1HG2 ILE 48 2.598 0.074 1.348 384 2HG2 ILE 48 2HG2 ILE 48 1.140 0.438 2.277 385 3HG2 ILE 48 3HG2 ILE 48 2.086 -1.005 2.646 386 1HD1 ILE 48 1HD1 ILE 48 3.181 -0.951 5.493 387 2HD1 ILE 48 2HD1 ILE 48 1.624 -1.199 4.705 388 3HD1 ILE 48 3HD1 ILE 48 1.695 -0.446 6.297 389 H GLN 49 H GLN 49 5.144 -1.709 2.001 390 HA GLN 49 HA GLN 49 6.116 -0.044 -0.182 391 1HB GLN 49 1HB GLN 49 6.997 -2.752 0.716 392 2HB GLN 49 2HB GLN 49 7.456 -2.066 -0.838 393 1HG GLN 49 1HG GLN 49 8.504 -0.192 0.320 394 2HG GLN 49 2HG GLN 49 8.047 -0.911 1.863 395 1HE2 GLN 49 1HE2 GLN 49 10.697 -0.314 0.714 396 2HE2 GLN 49 2HE2 GLN 49 11.541 -1.821 0.728 397 H LEU 50 H LEU 50 5.552 -0.565 -2.299 398 HA LEU 50 HA LEU 50 3.327 -2.485 -2.567 399 1HB LEU 50 1HB LEU 50 2.721 -0.107 -2.930 400 2HB LEU 50 2HB LEU 50 3.910 0.008 -4.199 401 HG LEU 50 HG LEU 50 1.380 -1.710 -4.385 402 1HD1 LEU 50 1HD1 LEU 50 1.942 1.033 -5.469 403 2HD1 LEU 50 2HD1 LEU 50 0.868 0.644 -4.128 404 3HD1 LEU 50 3HD1 LEU 50 0.492 0.064 -5.751 405 1HD2 LEU 50 1HD2 LEU 50 3.190 -2.410 -5.914 406 2HD2 LEU 50 2HD2 LEU 50 3.346 -0.747 -6.463 407 3HD2 LEU 50 3HD2 LEU 50 1.874 -1.642 -6.810 408 H PHE 51 H PHE 51 3.739 -4.260 -3.677 409 HA PHE 51 HA PHE 51 5.820 -4.219 -5.761 410 1HB PHE 51 1HB PHE 51 4.994 -6.452 -3.872 411 2HB PHE 51 2HB PHE 51 6.027 -6.695 -5.269 412 HD1 PHE 51 HD1 PHE 51 5.822 -4.648 -2.138 413 HD2 PHE 51 HD2 PHE 51 8.284 -6.723 -4.911 414 HE1 PHE 51 HE1 PHE 51 7.785 -4.264 -0.696 415 HE2 PHE 51 HE2 PHE 51 10.239 -6.334 -3.478 416 HZ PHE 51 HZ PHE 51 9.987 -5.099 -1.367 417 H ASP 52 H ASP 52 4.932 -4.490 -7.748 418 HA ASP 52 HA ASP 52 3.414 -6.618 -8.559 419 1HB ASP 52 1HB ASP 52 1.621 -5.355 -7.229 420 2HB ASP 52 2HB ASP 52 1.615 -4.192 -8.550 421 H GLY 53 H GLY 53 1.992 -5.379 -10.615 422 1HA GLY 53 1HA GLY 53 2.262 -4.441 -12.738 423 2HA GLY 53 2HA GLY 53 3.638 -3.540 -12.093 424 H ASP 54 H ASP 54 5.351 -4.926 -11.504 425 HA ASP 54 HA ASP 54 6.185 -6.697 -13.700 426 1HB ASP 54 1HB ASP 54 7.774 -4.932 -13.069 427 2HB ASP 54 2HB ASP 54 7.707 -5.445 -11.393 428 H ASP 55 H ASP 55 6.621 -6.481 -10.244 429 HA ASP 55 HA ASP 55 5.354 -8.605 -9.162 430 1HB ASP 55 1HB ASP 55 6.657 -10.052 -10.731 431 2HB ASP 55 2HB ASP 55 8.138 -9.385 -10.060 432 H GLN 56 H GLN 56 8.345 -6.990 -9.606 433 HA GLN 56 HA GLN 56 9.183 -7.014 -6.872 434 1HB GLN 56 1HB GLN 56 10.217 -5.510 -9.266 435 2HB GLN 56 2HB GLN 56 11.048 -5.707 -7.726 436 1HG GLN 56 1HG GLN 56 11.203 -8.070 -8.051 437 2HG GLN 56 2HG GLN 56 10.233 -7.976 -9.518 438 1HE2 GLN 56 1HE2 GLN 56 11.129 -7.142 -11.343 439 2HE2 GLN 56 2HE2 GLN 56 12.836 -6.978 -11.572 440 H LEU 57 H LEU 57 10.073 -4.678 -6.203 441 HA LEU 57 HA LEU 57 7.865 -3.204 -5.319 442 1HB LEU 57 1HB LEU 57 10.011 -3.361 -4.150 443 2HB LEU 57 2HB LEU 57 10.786 -2.471 -5.439 444 HG LEU 57 HG LEU 57 9.375 -0.498 -4.842 445 1HD1 LEU 57 1HD1 LEU 57 7.528 -1.647 -3.797 446 2HD1 LEU 57 2HD1 LEU 57 8.256 -0.500 -2.668 447 3HD1 LEU 57 3HD1 LEU 57 8.596 -2.225 -2.521 448 1HD2 LEU 57 1HD2 LEU 57 11.655 -0.702 -4.020 449 2HD2 LEU 57 2HD2 LEU 57 11.086 -1.636 -2.636 450 3HD2 LEU 57 3HD2 LEU 57 10.622 0.058 -2.808 451 H LYS 58 H LYS 58 6.849 -1.498 -6.118 452 HA LYS 58 HA LYS 58 7.885 -0.231 -8.549 453 1HB LYS 58 1HB LYS 58 5.206 -0.020 -7.185 454 2HB LYS 58 2HB LYS 58 5.655 0.979 -8.549 455 1HG LYS 58 1HG LYS 58 5.953 -1.113 -9.889 456 2HG LYS 58 2HG LYS 58 5.361 -2.031 -8.508 457 1HD LYS 58 1HD LYS 58 3.574 -1.664 -10.144 458 2HD LYS 58 2HD LYS 58 3.213 -0.821 -8.643 459 1HE LYS 58 1HE LYS 58 3.954 1.280 -9.604 460 2HE LYS 58 2HE LYS 58 4.440 0.466 -11.090 461 1HZ LYS 58 1HZ LYS 58 2.319 1.579 -11.318 462 2HZ LYS 58 2HZ LYS 58 1.644 0.700 -10.064 463 3HZ LYS 58 3HZ LYS 58 2.131 -0.079 -11.487 464 H GLY 59 H GLY 59 6.798 0.516 -5.282 465 1HA GLY 59 1HA GLY 59 8.770 2.435 -4.875 466 2HA GLY 59 2HA GLY 59 7.289 3.256 -5.359 467 H GLU 60 H GLU 60 8.072 3.987 -3.054 468 HA GLU 60 HA GLU 60 6.792 2.338 -1.015 469 1HB GLU 60 1HB GLU 60 9.114 3.096 -0.610 470 2HB GLU 60 2HB GLU 60 8.589 4.760 -0.786 471 1HG GLU 60 1HG GLU 60 7.138 4.493 1.181 472 2HG GLU 60 2HG GLU 60 7.731 2.843 1.371 473 H LEU 61 H LEU 61 4.843 2.930 -0.400 474 HA LEU 61 HA LEU 61 3.949 5.571 -1.233 475 1HB LEU 61 1HB LEU 61 1.598 4.833 -1.003 476 2HB LEU 61 2HB LEU 61 2.485 3.992 -2.240 477 HG LEU 61 HG LEU 61 1.831 2.814 0.479 478 1HD1 LEU 61 1HD1 LEU 61 -0.196 3.258 -0.800 479 2HD1 LEU 61 2HD1 LEU 61 0.128 1.527 -0.720 480 3HD1 LEU 61 3HD1 LEU 61 0.492 2.427 -2.195 481 1HD2 LEU 61 1HD2 LEU 61 3.743 1.718 -0.534 482 2HD2 LEU 61 2HD2 LEU 61 2.901 1.640 -2.067 483 3HD2 LEU 61 3HD2 LEU 61 2.330 0.666 -0.705 484 H THR 62 H THR 62 2.027 4.376 0.960 485 HA THR 62 HA THR 62 1.542 4.673 3.106 486 HB THR 62 HB THR 62 4.055 4.224 3.639 487 HG1 THR 62 HG1 THR 62 3.369 5.769 5.756 488 1HG2 THR 62 1HG2 THR 62 5.337 6.107 4.598 489 2HG2 THR 62 2HG2 THR 62 4.046 7.219 4.134 490 3HG2 THR 62 3HG2 THR 62 4.986 6.393 2.893 491 H ASP 63 H ASP 63 1.548 6.830 0.948 492 HA ASP 63 HA ASP 63 1.361 9.388 1.996 493 1HB ASP 63 1HB ASP 63 -0.433 8.207 -0.148 494 2HB ASP 63 2HB ASP 63 -0.111 9.908 0.116 495 H GLY 64 H GLY 64 -1.541 7.587 1.122 496 1HA GLY 64 1HA GLY 64 -3.438 7.077 2.242 497 2HA GLY 64 2HA GLY 64 -2.733 7.527 3.756 498 H ALA 65 H ALA 65 -2.289 10.324 2.409 499 HA ALA 65 HA ALA 65 -4.763 11.366 3.356 500 1HB ALA 65 1HB ALA 65 -3.813 13.575 2.804 501 2HB ALA 65 2HB ALA 65 -2.477 12.770 1.972 502 3HB ALA 65 3HB ALA 65 -2.677 12.576 3.711 503 H LYS 66 H LYS 66 -4.317 9.763 0.799 504 HA LYS 66 HA LYS 66 -6.360 10.959 -0.789 505 1HB LYS 66 1HB LYS 66 -4.941 10.566 -2.873 506 2HB LYS 66 2HB LYS 66 -4.416 11.902 -1.868 507 1HG LYS 66 1HG LYS 66 -2.852 10.088 -0.805 508 2HG LYS 66 2HG LYS 66 -3.170 9.237 -2.307 509 1HD LYS 66 1HD LYS 66 -1.984 12.027 -2.105 510 2HD LYS 66 2HD LYS 66 -1.044 10.570 -2.317 511 1HE LYS 66 1HE LYS 66 -1.197 11.668 -4.433 512 2HE LYS 66 2HE LYS 66 -2.231 10.247 -4.520 513 1HZ LYS 66 1HZ LYS 66 -3.133 12.296 -5.508 514 2HZ LYS 66 2HZ LYS 66 -3.309 12.995 -3.985 515 3HZ LYS 66 3HZ LYS 66 -4.124 11.553 -4.415 516 H SER 67 H SER 67 -7.065 9.068 -2.478 517 HA SER 67 HA SER 67 -7.608 6.974 -0.658 518 1HB SER 67 1HB SER 67 -8.325 7.152 -3.567 519 2HB SER 67 2HB SER 67 -9.103 6.198 -2.322 520 HG SER 67 HG SER 67 -9.202 8.914 -2.813 521 H LEU 68 H LEU 68 -7.415 4.815 -1.258 522 HA LEU 68 HA LEU 68 -4.853 3.970 -2.080 523 1HB LEU 68 1HB LEU 68 -7.478 2.541 -1.782 524 2HB LEU 68 2HB LEU 68 -5.934 1.741 -2.007 525 HG LEU 68 HG LEU 68 -6.536 3.559 0.328 526 1HD1 LEU 68 1HD1 LEU 68 -6.605 0.549 0.210 527 2HD1 LEU 68 2HD1 LEU 68 -8.002 1.605 0.401 528 3HD1 LEU 68 3HD1 LEU 68 -6.769 1.537 1.661 529 1HD2 LEU 68 1HD2 LEU 68 -4.571 2.458 1.276 530 2HD2 LEU 68 2HD2 LEU 68 -4.199 3.362 -0.183 531 3HD2 LEU 68 3HD2 LEU 68 -4.331 1.599 -0.242 532 H LYS 69 H LYS 69 -7.835 4.512 -3.618 533 HA LYS 69 HA LYS 69 -7.244 3.041 -6.041 534 1HB LYS 69 1HB LYS 69 -9.575 3.704 -4.964 535 2HB LYS 69 2HB LYS 69 -9.318 5.197 -5.833 536 1HG LYS 69 1HG LYS 69 -9.360 2.492 -7.144 537 2HG LYS 69 2HG LYS 69 -10.762 3.534 -7.002 538 1HD LYS 69 1HD LYS 69 -9.634 5.221 -8.340 539 2HD LYS 69 2HD LYS 69 -8.199 4.193 -8.437 540 1HE LYS 69 1HE LYS 69 -9.591 4.003 -10.459 541 2HE LYS 69 2HE LYS 69 -9.466 2.484 -9.576 542 1HZ LYS 69 1HZ LYS 69 -11.708 2.943 -10.341 543 2HZ LYS 69 2HZ LYS 69 -11.779 4.345 -9.425 544 3HZ LYS 69 3HZ LYS 69 -11.663 2.824 -8.658 545 H ASP 70 H ASP 70 -7.321 6.319 -4.888 546 HA ASP 70 HA ASP 70 -6.568 7.703 -7.204 547 1HB ASP 70 1HB ASP 70 -7.602 8.630 -5.166 548 2HB ASP 70 2HB ASP 70 -6.118 8.333 -4.308 549 H LEU 71 H LEU 71 -4.829 6.155 -4.677 550 HA LEU 71 HA LEU 71 -2.175 6.964 -5.438 551 1HB LEU 71 1HB LEU 71 -3.124 4.699 -3.706 552 2HB LEU 71 2HB LEU 71 -1.429 5.016 -3.999 553 HG LEU 71 HG LEU 71 -3.350 6.898 -2.606 554 1HD1 LEU 71 1HD1 LEU 71 -2.846 4.901 -1.287 555 2HD1 LEU 71 2HD1 LEU 71 -2.086 6.337 -0.607 556 3HD1 LEU 71 3HD1 LEU 71 -1.120 5.183 -1.524 557 1HD2 LEU 71 1HD2 LEU 71 -1.579 8.068 -3.821 558 2HD2 LEU 71 2HD2 LEU 71 -0.379 7.028 -3.060 559 3HD2 LEU 71 3HD2 LEU 71 -1.317 8.149 -2.079 560 H GLY 72 H GLY 72 -4.309 4.722 -6.788 561 1HA GLY 72 1HA GLY 72 -3.981 3.485 -8.712 562 2HA GLY 72 2HA GLY 72 -2.264 3.864 -8.632 563 H VAL 73 H VAL 73 -3.789 2.603 -5.817 564 HA VAL 73 HA VAL 73 -2.244 0.151 -6.098 565 HB VAL 73 HB VAL 73 -3.975 1.020 -3.762 566 1HG1 VAL 73 1HG1 VAL 73 -3.422 -1.342 -3.826 567 2HG1 VAL 73 2HG1 VAL 73 -2.618 -0.544 -2.473 568 3HG1 VAL 73 3HG1 VAL 73 -1.704 -0.957 -3.926 569 1HG2 VAL 73 1HG2 VAL 73 -2.287 2.730 -4.148 570 2HG2 VAL 73 2HG2 VAL 73 -1.025 1.502 -4.169 571 3HG2 VAL 73 3HG2 VAL 73 -1.914 1.823 -2.680 572 H ARG 74 H ARG 74 -3.283 -1.238 -7.344 573 HA ARG 74 HA ARG 74 -6.186 -1.426 -7.119 574 1HB ARG 74 1HB ARG 74 -4.341 -2.285 -9.321 575 2HB ARG 74 2HB ARG 74 -6.035 -2.710 -9.267 576 1HG ARG 74 1HG ARG 74 -4.906 0.075 -9.415 577 2HG ARG 74 2HG ARG 74 -5.688 -0.807 -10.728 578 1HD ARG 74 1HD ARG 74 -6.924 0.208 -8.174 579 2HD ARG 74 2HD ARG 74 -7.326 0.647 -9.831 580 HE ARG 74 HE ARG 74 -7.735 -2.084 -9.611 581 1HH1 ARG 74 1HH1 ARG 74 -9.114 0.867 -8.392 582 2HH1 ARG 74 2HH1 ARG 74 -10.647 0.267 -7.994 583 1HH2 ARG 74 1HH2 ARG 74 -9.713 -3.074 -9.018 584 2HH2 ARG 74 2HH2 ARG 74 -11.004 -2.169 -8.376 585 H ASP 75 H ASP 75 -6.909 -3.674 -7.921 586 HA ASP 75 HA ASP 75 -6.328 -5.490 -5.844 587 1HB ASP 75 1HB ASP 75 -7.869 -6.977 -7.138 588 2HB ASP 75 2HB ASP 75 -8.559 -5.439 -6.651 589 H GLY 76 H GLY 76 -5.480 -7.363 -5.960 590 1HA GLY 76 1HA GLY 76 -4.206 -9.197 -6.843 591 2HA GLY 76 2HA GLY 76 -4.126 -8.345 -8.375 592 H TYR 77 H TYR 77 -3.236 -6.044 -6.380 593 HA TYR 77 HA TYR 77 -0.364 -6.352 -6.826 594 1HB TYR 77 1HB TYR 77 -2.048 -4.187 -5.513 595 2HB TYR 77 2HB TYR 77 -0.303 -4.105 -5.664 596 HD1 TYR 77 HD1 TYR 77 -2.934 -5.117 -8.159 597 HD2 TYR 77 HD2 TYR 77 0.153 -2.393 -7.150 598 HE1 TYR 77 HE1 TYR 77 -3.183 -4.039 -10.351 599 HE2 TYR 77 HE2 TYR 77 -0.085 -1.309 -9.353 600 HH TYR 77 HH TYR 77 -0.894 -1.895 -11.549 601 H ARG 78 H ARG 78 1.210 -6.232 -5.036 602 HA ARG 78 HA ARG 78 -0.018 -7.298 -2.631 603 1HB ARG 78 1HB ARG 78 1.924 -8.693 -2.204 604 2HB ARG 78 2HB ARG 78 1.263 -9.043 -3.785 605 1HG ARG 78 1HG ARG 78 3.182 -7.151 -4.280 606 2HG ARG 78 2HG ARG 78 3.905 -8.184 -3.032 607 1HD ARG 78 1HD ARG 78 4.440 -9.087 -5.196 608 2HD ARG 78 2HD ARG 78 3.265 -10.150 -4.413 609 HE ARG 78 HE ARG 78 2.386 -8.086 -6.286 610 1HH1 ARG 78 1HH1 ARG 78 2.525 -11.480 -5.366 611 2HH1 ARG 78 2HH1 ARG 78 1.547 -12.049 -6.626 612 1HH2 ARG 78 1HH2 ARG 78 0.957 -8.804 -8.008 613 2HH2 ARG 78 2HH2 ARG 78 0.601 -10.453 -8.182 614 H ILE 79 H ILE 79 0.374 -6.451 -0.802 615 HA ILE 79 HA ILE 79 2.073 -4.071 -0.770 616 HB ILE 79 HB ILE 79 -0.351 -4.783 0.888 617 1HG1 ILE 79 1HG1 ILE 79 -0.884 -3.930 -1.328 618 2HG1 ILE 79 2HG1 ILE 79 -1.333 -2.753 -0.099 619 1HG2 ILE 79 1HG2 ILE 79 1.251 -3.712 2.353 620 2HG2 ILE 79 2HG2 ILE 79 -0.099 -2.626 2.025 621 3HG2 ILE 79 3HG2 ILE 79 1.446 -2.392 1.202 622 1HD1 ILE 79 1HD1 ILE 79 0.701 -1.477 -0.617 623 2HD1 ILE 79 2HD1 ILE 79 -0.362 -1.655 -2.006 624 3HD1 ILE 79 3HD1 ILE 79 1.096 -2.640 -1.888 625 H HIS 80 H HIS 80 3.809 -4.161 0.293 626 HA HIS 80 HA HIS 80 4.188 -6.288 2.246 627 1HB HIS 80 1HB HIS 80 5.842 -6.395 0.519 628 2HB HIS 80 2HB HIS 80 6.161 -4.672 0.636 629 HD1 HIS 80 HD1 HIS 80 6.740 -7.904 2.566 630 HD2 HIS 80 HD2 HIS 80 8.035 -3.957 2.422 631 HE1 HIS 80 HE1 HIS 80 8.591 -7.783 4.205 632 HE2 HIS 80 HE2 HIS 80 9.633 -5.541 3.747 633 H ALA 81 H ALA 81 3.997 -5.792 4.222 634 HA ALA 81 HA ALA 81 4.290 -3.034 5.122 635 1HB ALA 81 1HB ALA 81 3.170 -3.969 7.135 636 2HB ALA 81 2HB ALA 81 3.097 -5.529 6.322 637 3HB ALA 81 3HB ALA 81 2.218 -4.151 5.666 638 H VAL 82 H VAL 82 5.962 -2.474 6.489 639 HA VAL 82 HA VAL 82 7.393 -4.639 7.760 640 HB VAL 82 HB VAL 82 8.484 -4.285 5.623 641 1HG1 VAL 82 1HG1 VAL 82 7.992 -2.001 5.133 642 2HG1 VAL 82 2HG1 VAL 82 9.737 -2.231 5.096 643 3HG1 VAL 82 3HG1 VAL 82 8.980 -1.454 6.487 644 1HG2 VAL 82 1HG2 VAL 82 9.877 -5.015 7.468 645 2HG2 VAL 82 2HG2 VAL 82 10.146 -3.344 7.955 646 3HG2 VAL 82 3HG2 VAL 82 10.812 -3.934 6.434 647 H ASP 83 H ASP 83 7.947 -4.124 9.789 648 HA ASP 83 HA ASP 83 7.940 -1.260 10.524 649 1HB ASP 83 1HB ASP 83 6.439 -2.695 11.923 650 2HB ASP 83 2HB ASP 83 7.853 -3.648 12.383 651 H VAL 84 H VAL 84 9.584 -0.366 11.396 652 HA VAL 84 HA VAL 84 11.977 -1.835 10.713 653 HB VAL 84 HB VAL 84 11.556 1.127 10.941 654 1HG1 VAL 84 1HG1 VAL 84 13.838 -0.467 9.832 655 2HG1 VAL 84 2HG1 VAL 84 13.863 0.487 11.332 656 3HG1 VAL 84 3HG1 VAL 84 13.659 1.293 9.755 657 1HG2 VAL 84 1HG2 VAL 84 11.624 1.095 8.490 658 2HG2 VAL 84 2HG2 VAL 84 10.269 0.161 9.129 659 3HG2 VAL 84 3HG2 VAL 84 11.703 -0.667 8.527 660 H THR 85 H THR 85 10.432 -0.327 13.485 661 HA THR 85 HA THR 85 12.997 -0.346 14.820 662 HB THR 85 HB THR 85 11.743 0.709 16.725 663 HG1 THR 85 HG1 THR 85 9.649 -0.030 16.097 664 1HG2 THR 85 1HG2 THR 85 11.646 2.099 14.040 665 2HG2 THR 85 2HG2 THR 85 13.029 2.054 15.131 666 3HG2 THR 85 3HG2 THR 85 11.559 2.907 15.606 667 H GLY 86 H GLY 86 9.940 -2.015 15.005 668 1HA GLY 86 1HA GLY 86 11.100 -3.773 17.052 669 2HA GLY 86 2HA GLY 86 9.373 -3.542 16.759 670 H GLY 87 H GLY 87 10.714 -3.347 13.925 671 1HA GLY 87 1HA GLY 87 9.874 -6.052 13.255 672 2HA GLY 87 2HA GLY 87 10.106 -4.718 12.141 673 H ASN 88 H ASN 88 11.148 -7.506 12.342 674 HA ASN 88 HA ASN 88 14.008 -6.952 12.413 675 1HB ASN 88 1HB ASN 88 14.328 -9.336 12.528 676 2HB ASN 88 2HB ASN 88 13.132 -8.866 13.730 677 1HD2 ASN 88 1HD2 ASN 88 10.927 -9.406 13.363 678 2HD2 ASN 88 2HD2 ASN 88 10.503 -10.644 12.251 679 H GLU 89 H GLU 89 15.260 -7.152 10.688 680 HA GLU 89 HA GLU 89 14.355 -8.612 8.341 681 1HB GLU 89 1HB GLU 89 15.727 -5.913 8.414 682 2HB GLU 89 2HB GLU 89 15.898 -6.965 7.016 683 1HG GLU 89 1HG GLU 89 13.256 -6.008 8.096 684 2HG GLU 89 2HG GLU 89 14.131 -5.224 6.777 685 H ASP 90 H ASP 90 15.738 -8.954 10.783 686 HA ASP 90 HA ASP 90 18.519 -9.520 10.263 687 1HB ASP 90 1HB ASP 90 17.773 -8.611 12.417 688 2HB ASP 90 2HB ASP 90 16.727 -9.999 12.653 Start of MODEL 14 1 H MET 1 H MET 1 -20.346 3.802 -6.517 2 HA MET 1 HA MET 1 -20.389 1.600 -7.406 3 1HB MET 1 1HB MET 1 -17.726 2.352 -8.653 4 2HB MET 1 2HB MET 1 -18.466 0.768 -8.684 5 1HG MET 1 1HG MET 1 -18.719 1.758 -10.833 6 2HG MET 1 2HG MET 1 -20.303 1.742 -10.062 7 1HE MET 1 1HE MET 1 -21.165 3.453 -11.909 8 2HE MET 1 2HE MET 1 -19.562 3.462 -12.646 9 3HE MET 1 3HE MET 1 -20.368 4.984 -12.268 10 H THR 2 H THR 2 -19.916 0.481 -5.547 11 HA THR 2 HA THR 2 -17.725 1.419 -3.986 12 HB THR 2 HB THR 2 -19.706 0.646 -2.766 13 HG1 THR 2 HG1 THR 2 -17.459 0.212 -2.007 14 1HG2 THR 2 1HG2 THR 2 -20.377 -1.739 -2.707 15 2HG2 THR 2 2HG2 THR 2 -19.170 -2.097 -3.945 16 3HG2 THR 2 3HG2 THR 2 -20.545 -1.061 -4.328 17 H GLU 3 H GLU 3 -15.737 0.872 -4.337 18 HA GLU 3 HA GLU 3 -15.213 -1.581 -5.839 19 1HB GLU 3 1HB GLU 3 -15.027 0.443 -7.206 20 2HB GLU 3 2HB GLU 3 -13.890 1.097 -6.045 21 1HG GLU 3 1HG GLU 3 -12.266 -0.552 -6.613 22 2HG GLU 3 2HG GLU 3 -13.431 -1.401 -7.639 23 H VAL 4 H VAL 4 -13.745 -2.858 -5.214 24 HA VAL 4 HA VAL 4 -12.265 -2.105 -2.842 25 HB VAL 4 HB VAL 4 -12.560 -4.386 -1.939 26 1HG1 VAL 4 1HG1 VAL 4 -14.077 -2.676 -1.149 27 2HG1 VAL 4 2HG1 VAL 4 -14.923 -4.219 -1.273 28 3HG1 VAL 4 3HG1 VAL 4 -15.165 -2.983 -2.503 29 1HG2 VAL 4 1HG2 VAL 4 -14.253 -5.903 -2.895 30 2HG2 VAL 4 2HG2 VAL 4 -12.927 -5.599 -4.015 31 3HG2 VAL 4 3HG2 VAL 4 -14.472 -4.785 -4.243 32 H TYR 5 H TYR 5 -10.403 -3.330 -2.514 33 HA TYR 5 HA TYR 5 -9.228 -4.490 -4.951 34 1HB TYR 5 1HB TYR 5 -7.005 -3.876 -3.952 35 2HB TYR 5 2HB TYR 5 -7.997 -2.504 -4.410 36 HD1 TYR 5 HD1 TYR 5 -7.524 -4.637 -1.359 37 HD2 TYR 5 HD2 TYR 5 -7.882 -0.740 -2.959 38 HE1 TYR 5 HE1 TYR 5 -7.235 -3.725 0.875 39 HE2 TYR 5 HE2 TYR 5 -7.606 0.202 -0.707 40 HH TYR 5 HH TYR 5 -7.898 -0.491 1.603 41 H ASP 6 H ASP 6 -8.290 -6.410 -4.875 42 HA ASP 6 HA ASP 6 -8.389 -7.898 -2.318 43 1HB ASP 6 1HB ASP 6 -7.766 -8.922 -5.087 44 2HB ASP 6 2HB ASP 6 -8.183 -9.877 -3.689 45 H LEU 7 H LEU 7 -6.463 -7.767 -1.349 46 HA LEU 7 HA LEU 7 -4.034 -7.401 -2.966 47 1HB LEU 7 1HB LEU 7 -4.687 -6.480 -0.201 48 2HB LEU 7 2HB LEU 7 -3.124 -6.360 -0.959 49 HG LEU 7 HG LEU 7 -5.633 -4.936 -1.816 50 1HD1 LEU 7 1HD1 LEU 7 -4.728 -4.121 0.281 51 2HD1 LEU 7 2HD1 LEU 7 -4.440 -2.946 -1.006 52 3HD1 LEU 7 3HD1 LEU 7 -3.133 -3.992 -0.449 53 1HD2 LEU 7 1HD2 LEU 7 -2.807 -4.717 -2.842 54 2HD2 LEU 7 2HD2 LEU 7 -4.154 -3.682 -3.307 55 3HD2 LEU 7 3HD2 LEU 7 -4.176 -5.396 -3.723 56 H GLU 8 H GLU 8 -2.241 -8.451 -2.316 57 HA GLU 8 HA GLU 8 -2.522 -10.496 -0.212 58 1HB GLU 8 1HB GLU 8 -2.046 -11.314 -2.525 59 2HB GLU 8 2HB GLU 8 -0.566 -10.362 -2.512 60 1HG GLU 8 1HG GLU 8 0.291 -11.695 -0.684 61 2HG GLU 8 2HG GLU 8 -1.217 -12.607 -0.630 62 H ILE 9 H ILE 9 -1.467 -10.130 1.496 63 HA ILE 9 HA ILE 9 0.270 -7.761 1.605 64 HB ILE 9 HB ILE 9 -0.967 -9.264 3.914 65 1HG1 ILE 9 1HG1 ILE 9 -2.771 -8.386 2.535 66 2HG1 ILE 9 2HG1 ILE 9 -2.649 -7.470 4.030 67 1HG2 ILE 9 1HG2 ILE 9 -0.523 -7.205 5.188 68 2HG2 ILE 9 2HG2 ILE 9 0.256 -6.510 3.765 69 3HG2 ILE 9 3HG2 ILE 9 0.956 -7.925 4.547 70 1HD1 ILE 9 1HD1 ILE 9 -1.695 -6.637 1.314 71 2HD1 ILE 9 2HD1 ILE 9 -1.482 -5.697 2.796 72 3HD1 ILE 9 3HD1 ILE 9 -3.103 -6.008 2.171 73 H THR 10 H THR 10 2.306 -7.930 2.129 74 HA THR 10 HA THR 10 3.322 -10.429 3.237 75 HB THR 10 HB THR 10 5.491 -9.789 2.131 76 HG1 THR 10 HG1 THR 10 3.754 -8.036 0.738 77 1HG2 THR 10 1HG2 THR 10 4.137 -11.581 1.287 78 2HG2 THR 10 2HG2 THR 10 4.890 -10.700 -0.049 79 3HG2 THR 10 3HG2 THR 10 3.172 -10.453 0.325 80 H THR 11 H THR 11 5.245 -10.065 4.540 81 HA THR 11 HA THR 11 5.770 -7.384 5.446 82 HB THR 11 HB THR 11 5.276 -9.481 7.467 83 HG1 THR 11 HG1 THR 11 3.254 -9.449 6.677 84 1HG2 THR 11 1HG2 THR 11 6.337 -7.456 8.227 85 2HG2 THR 11 2HG2 THR 11 4.732 -7.546 8.951 86 3HG2 THR 11 3HG2 THR 11 5.020 -6.477 7.580 87 H ASN 12 H ASN 12 7.614 -7.601 6.851 88 HA ASN 12 HA ASN 12 9.523 -9.531 5.875 89 1HB ASN 12 1HB ASN 12 11.144 -8.309 7.232 90 2HB ASN 12 2HB ASN 12 10.216 -7.205 6.232 91 1HD2 ASN 12 1HD2 ASN 12 11.725 -6.762 8.713 92 2HD2 ASN 12 2HD2 ASN 12 10.615 -6.066 9.845 93 H ALA 13 H ALA 13 7.557 -9.017 8.620 94 HA ALA 13 HA ALA 13 8.906 -10.901 10.280 95 1HB ALA 13 1HB ALA 13 6.311 -9.444 10.705 96 2HB ALA 13 2HB ALA 13 7.906 -8.910 11.241 97 3HB ALA 13 3HB ALA 13 7.189 -10.369 11.923 98 H THR 14 H THR 14 6.219 -10.918 8.048 99 HA THR 14 HA THR 14 5.358 -13.489 9.086 100 HB THR 14 HB THR 14 3.394 -13.210 7.570 101 HG1 THR 14 HG1 THR 14 3.884 -11.836 6.019 102 1HG2 THR 14 1HG2 THR 14 3.864 -10.924 9.494 103 2HG2 THR 14 2HG2 THR 14 3.243 -12.516 9.921 104 3HG2 THR 14 3HG2 THR 14 2.290 -11.445 8.892 105 H ASP 15 H ASP 15 5.590 -15.305 7.940 106 HA ASP 15 HA ASP 15 7.124 -15.131 5.461 107 1HB ASP 15 1HB ASP 15 7.839 -16.730 7.234 108 2HB ASP 15 2HB ASP 15 6.295 -17.554 7.073 109 H PHE 16 H PHE 16 4.087 -16.134 6.777 110 HA PHE 16 HA PHE 16 3.088 -17.154 4.268 111 1HB PHE 16 1HB PHE 16 2.545 -18.251 6.430 112 2HB PHE 16 2HB PHE 16 1.745 -16.775 6.949 113 HD1 PHE 16 HD1 PHE 16 -0.512 -16.376 6.404 114 HD2 PHE 16 HD2 PHE 16 1.603 -19.539 4.498 115 HE1 PHE 16 HE1 PHE 16 -2.622 -17.218 5.473 116 HE2 PHE 16 HE2 PHE 16 -0.504 -20.387 3.562 117 HZ PHE 16 HZ PHE 16 -2.622 -19.226 4.048 118 HA PRO 17 HA PRO 17 1.643 -12.969 3.248 119 1HB PRO 17 1HB PRO 17 0.482 -14.333 0.910 120 2HB PRO 17 2HB PRO 17 1.670 -13.029 0.959 121 1HG PRO 17 1HG PRO 17 2.350 -15.520 0.235 122 2HG PRO 17 2HG PRO 17 3.452 -14.470 1.139 123 1HD PRO 17 1HD PRO 17 1.760 -16.738 2.143 124 2HD PRO 17 2HD PRO 17 3.431 -16.279 2.550 125 H MET 18 H MET 18 -0.358 -11.982 3.252 126 HA MET 18 HA MET 18 -2.630 -13.723 4.014 127 1HB MET 18 1HB MET 18 -2.063 -10.872 4.870 128 2HB MET 18 2HB MET 18 -3.445 -11.832 5.359 129 1HG MET 18 1HG MET 18 -0.568 -12.423 6.025 130 2HG MET 18 2HG MET 18 -1.743 -11.682 7.107 131 1HE MET 18 1HE MET 18 0.049 -14.231 7.799 132 2HE MET 18 2HE MET 18 -1.133 -15.233 8.636 133 3HE MET 18 3HE MET 18 -1.091 -13.494 8.926 134 H GLU 19 H GLU 19 -4.741 -12.937 3.269 135 HA GLU 19 HA GLU 19 -4.435 -11.110 1.019 136 1HB GLU 19 1HB GLU 19 -6.372 -12.230 -0.026 137 2HB GLU 19 2HB GLU 19 -4.998 -13.294 0.187 138 1HG GLU 19 1HG GLU 19 -6.083 -14.218 2.198 139 2HG GLU 19 2HG GLU 19 -7.489 -13.202 1.863 140 H LYS 20 H LYS 20 -5.604 -9.298 0.983 141 HA LYS 20 HA LYS 20 -7.647 -9.042 3.020 142 1HB LYS 20 1HB LYS 20 -5.565 -7.071 2.165 143 2HB LYS 20 2HB LYS 20 -6.900 -6.748 3.247 144 1HG LYS 20 1HG LYS 20 -4.622 -8.672 3.741 145 2HG LYS 20 2HG LYS 20 -4.778 -7.070 4.455 146 1HD LYS 20 1HD LYS 20 -6.809 -7.817 5.628 147 2HD LYS 20 2HD LYS 20 -6.627 -9.419 4.900 148 1HE LYS 20 1HE LYS 20 -4.443 -9.656 5.989 149 2HE LYS 20 2HE LYS 20 -4.635 -8.069 6.724 150 1HZ LYS 20 1HZ LYS 20 -6.351 -10.441 7.208 151 2HZ LYS 20 2HZ LYS 20 -6.586 -8.932 7.904 152 3HZ LYS 20 3HZ LYS 20 -5.204 -9.822 8.267 153 H LYS 21 H LYS 21 -9.478 -8.295 2.219 154 HA LYS 21 HA LYS 21 -9.550 -6.987 -0.400 155 1HB LYS 21 1HB LYS 21 -10.676 -9.170 -0.249 156 2HB LYS 21 2HB LYS 21 -11.646 -8.582 1.087 157 1HG LYS 21 1HG LYS 21 -12.664 -6.919 -0.432 158 2HG LYS 21 2HG LYS 21 -11.735 -7.607 -1.765 159 1HD LYS 21 1HD LYS 21 -13.775 -9.074 -0.079 160 2HD LYS 21 2HD LYS 21 -14.020 -8.500 -1.726 161 1HE LYS 21 1HE LYS 21 -12.218 -10.011 -2.499 162 2HE LYS 21 2HE LYS 21 -11.998 -10.571 -0.847 163 1HZ LYS 21 1HZ LYS 21 -14.233 -11.426 -0.856 164 2HZ LYS 21 2HZ LYS 21 -13.350 -12.102 -2.112 165 3HZ LYS 21 3HZ LYS 21 -14.489 -10.914 -2.442 166 H TYR 22 H TYR 22 -9.846 -4.833 -0.121 167 HA TYR 22 HA TYR 22 -11.842 -3.850 1.774 168 1HB TYR 22 1HB TYR 22 -8.964 -2.876 1.773 169 2HB TYR 22 2HB TYR 22 -10.256 -2.024 2.571 170 HD1 TYR 22 HD1 TYR 22 -7.698 -4.454 2.894 171 HD2 TYR 22 HD2 TYR 22 -11.493 -3.337 4.446 172 HE1 TYR 22 HE1 TYR 22 -7.240 -5.738 4.943 173 HE2 TYR 22 HE2 TYR 22 -11.038 -4.623 6.491 174 HH TYR 22 HH TYR 22 -7.949 -5.765 7.248 175 HA PRO 23 HA PRO 23 -12.928 -0.934 -1.417 176 1HB PRO 23 1HB PRO 23 -12.817 1.419 0.088 177 2HB PRO 23 2HB PRO 23 -14.248 0.435 -0.164 178 1HG PRO 23 1HG PRO 23 -12.379 0.536 2.145 179 2HG PRO 23 2HG PRO 23 -14.112 0.172 2.110 180 1HD PRO 23 1HD PRO 23 -12.294 -1.741 2.496 181 2HD PRO 23 2HD PRO 23 -13.767 -2.034 1.549 182 H ALA 24 H ALA 24 -11.837 0.050 -2.985 183 HA ALA 24 HA ALA 24 -9.053 0.826 -2.614 184 1HB ALA 24 1HB ALA 24 -10.804 1.216 -5.044 185 2HB ALA 24 2HB ALA 24 -9.942 -0.272 -4.680 186 3HB ALA 24 3HB ALA 24 -9.034 1.202 -4.992 187 H GLY 25 H GLY 25 -11.957 2.385 -2.321 188 1HA GLY 25 1HA GLY 25 -10.920 5.046 -2.828 189 2HA GLY 25 2HA GLY 25 -12.518 4.668 -2.205 190 H MET 26 H MET 26 -10.713 2.886 -0.273 191 HA MET 26 HA MET 26 -10.821 4.769 1.876 192 1HB MET 26 1HB MET 26 -11.270 2.376 2.226 193 2HB MET 26 2HB MET 26 -9.622 1.980 1.773 194 1HG MET 26 1HG MET 26 -9.940 1.899 4.189 195 2HG MET 26 2HG MET 26 -8.789 3.152 3.731 196 1HE MET 26 1HE MET 26 -13.152 4.003 5.044 197 2HE MET 26 2HE MET 26 -12.449 2.387 4.968 198 3HE MET 26 3HE MET 26 -12.750 3.289 3.485 199 H SER 27 H SER 27 -8.933 5.336 3.247 200 HA SER 27 HA SER 27 -6.756 6.319 1.606 201 1HB SER 27 1HB SER 27 -6.136 7.435 3.726 202 2HB SER 27 2HB SER 27 -7.734 7.870 3.150 203 HG SER 27 HG SER 27 -7.981 7.415 5.260 204 H LEU 28 H LEU 28 -4.638 6.045 2.005 205 HA LEU 28 HA LEU 28 -3.633 3.535 2.707 206 1HB LEU 28 1HB LEU 28 -2.660 5.276 1.252 207 2HB LEU 28 2HB LEU 28 -2.361 6.231 2.634 208 HG LEU 28 HG LEU 28 -0.346 4.991 1.602 209 1HD1 LEU 28 1HD1 LEU 28 -0.871 4.800 4.551 210 2HD1 LEU 28 2HD1 LEU 28 -0.244 6.203 3.688 211 3HD1 LEU 28 3HD1 LEU 28 0.710 4.723 3.771 212 1HD2 LEU 28 1HD2 LEU 28 0.054 2.767 2.486 213 2HD2 LEU 28 2HD2 LEU 28 -1.378 2.794 1.457 214 3HD2 LEU 28 3HD2 LEU 28 -1.552 2.750 3.213 215 H ASN 29 H ASN 29 -4.157 6.365 4.464 216 HA ASN 29 HA ASN 29 -2.697 5.668 6.870 217 1HB ASN 29 1HB ASN 29 -4.920 7.680 6.497 218 2HB ASN 29 2HB ASN 29 -4.059 7.434 8.014 219 1HD2 ASN 29 1HD2 ASN 29 -4.177 9.816 6.313 220 2HD2 ASN 29 2HD2 ASN 29 -2.539 10.169 5.920 221 H ASP 30 H ASP 30 -5.883 4.862 5.821 222 HA ASP 30 HA ASP 30 -6.709 3.868 8.379 223 1HB ASP 30 1HB ASP 30 -8.205 4.554 6.453 224 2HB ASP 30 2HB ASP 30 -7.715 3.080 5.671 225 H LEU 31 H LEU 31 -5.121 2.646 5.563 226 HA LEU 31 HA LEU 31 -5.374 -0.186 6.149 227 1HB LEU 31 1HB LEU 31 -4.817 1.114 3.895 228 2HB LEU 31 2HB LEU 31 -3.195 1.100 4.505 229 HG LEU 31 HG LEU 31 -4.826 -1.352 3.791 230 1HD1 LEU 31 1HD1 LEU 31 -4.112 -0.124 1.845 231 2HD1 LEU 31 2HD1 LEU 31 -3.219 -1.635 1.984 232 3HD1 LEU 31 3HD1 LEU 31 -2.452 -0.115 2.436 233 1HD2 LEU 31 1HD2 LEU 31 -1.956 -1.172 4.689 234 2HD2 LEU 31 2HD2 LEU 31 -2.785 -2.628 4.129 235 3HD2 LEU 31 3HD2 LEU 31 -3.300 -1.839 5.621 236 H LYS 32 H LYS 32 -2.838 2.306 6.605 237 HA LYS 32 HA LYS 32 -1.020 0.682 7.981 238 1HB LYS 32 1HB LYS 32 -1.650 3.588 8.295 239 2HB LYS 32 2HB LYS 32 -0.230 2.733 8.895 240 1HG LYS 32 1HG LYS 32 0.402 2.220 6.579 241 2HG LYS 32 2HG LYS 32 -1.024 3.054 6.048 242 1HD LYS 32 1HD LYS 32 0.988 4.500 5.960 243 2HD LYS 32 2HD LYS 32 -0.353 5.142 6.903 244 1HE LYS 32 1HE LYS 32 1.595 5.574 8.008 245 2HE LYS 32 2HE LYS 32 0.792 4.371 8.965 246 1HZ LYS 32 1HZ LYS 32 2.336 2.662 7.974 247 2HZ LYS 32 2HZ LYS 32 3.165 3.894 8.806 248 3HZ LYS 32 3HZ LYS 32 3.125 3.929 7.160 249 H LYS 33 H LYS 33 -3.830 2.591 9.135 250 HA LYS 33 HA LYS 33 -3.355 2.236 11.862 251 1HB LYS 33 1HB LYS 33 -4.893 3.863 10.619 252 2HB LYS 33 2HB LYS 33 -5.985 2.514 10.413 253 1HG LYS 33 1HG LYS 33 -6.624 3.954 12.269 254 2HG LYS 33 2HG LYS 33 -6.249 2.309 12.795 255 1HD LYS 33 1HD LYS 33 -5.315 4.027 14.246 256 2HD LYS 33 2HD LYS 33 -4.066 2.993 13.572 257 1HE LYS 33 1HE LYS 33 -3.634 4.787 11.857 258 2HE LYS 33 2HE LYS 33 -4.810 5.799 12.679 259 1HZ LYS 33 1HZ LYS 33 -2.562 6.319 13.382 260 2HZ LYS 33 2HZ LYS 33 -2.313 4.720 13.874 261 3HZ LYS 33 3HZ LYS 33 -3.439 5.679 14.677 262 H LYS 34 H LYS 34 -5.053 0.225 9.456 263 HA LYS 34 HA LYS 34 -6.018 -1.633 11.320 264 1HB LYS 34 1HB LYS 34 -5.922 -1.060 8.529 265 2HB LYS 34 2HB LYS 34 -5.934 -2.753 8.689 266 1HG LYS 34 1HG LYS 34 -8.200 -2.000 8.409 267 2HG LYS 34 2HG LYS 34 -8.073 -2.377 10.124 268 1HD LYS 34 1HD LYS 34 -7.708 0.000 10.620 269 2HD LYS 34 2HD LYS 34 -7.795 0.373 8.901 270 1HE LYS 34 1HE LYS 34 -10.109 -0.484 8.862 271 2HE LYS 34 2HE LYS 34 -10.008 -0.768 10.599 272 1HZ LYS 34 1HZ LYS 34 -9.664 1.622 10.927 273 2HZ LYS 34 2HZ LYS 34 -11.096 1.355 10.089 274 3HZ LYS 34 3HZ LYS 34 -9.751 1.885 9.264 275 H LEU 35 H LEU 35 -3.172 -1.481 9.189 276 HA LEU 35 HA LEU 35 -2.199 -3.964 10.079 277 1HB LEU 35 1HB LEU 35 -1.207 -1.728 8.481 278 2HB LEU 35 2HB LEU 35 -0.005 -2.869 8.922 279 HG LEU 35 HG LEU 35 -2.433 -3.199 7.150 280 1HD1 LEU 35 1HD1 LEU 35 0.479 -3.787 6.711 281 2HD1 LEU 35 2HD1 LEU 35 -0.421 -2.405 6.079 282 3HD1 LEU 35 3HD1 LEU 35 -0.807 -4.036 5.533 283 1HD2 LEU 35 1HD2 LEU 35 -0.767 -5.461 8.270 284 2HD2 LEU 35 2HD2 LEU 35 -1.923 -5.601 6.951 285 3HD2 LEU 35 3HD2 LEU 35 -2.491 -5.184 8.558 286 H GLU 36 H GLU 36 -1.890 -0.746 11.212 287 HA GLU 36 HA GLU 36 0.240 -0.829 12.989 288 1HB GLU 36 1HB GLU 36 -1.239 1.132 12.352 289 2HB GLU 36 2HB GLU 36 -2.489 0.449 13.352 290 1HG GLU 36 1HG GLU 36 -1.091 0.745 15.311 291 2HG GLU 36 2HG GLU 36 0.167 1.464 14.284 292 H LEU 37 H LEU 37 -3.036 -1.919 13.185 293 HA LEU 37 HA LEU 37 -3.013 -2.792 15.901 294 1HB LEU 37 1HB LEU 37 -5.076 -2.100 14.514 295 2HB LEU 37 2HB LEU 37 -4.828 -3.567 13.656 296 HG LEU 37 HG LEU 37 -5.273 -4.932 15.606 297 1HD1 LEU 37 1HD1 LEU 37 -5.787 -2.327 17.026 298 2HD1 LEU 37 2HD1 LEU 37 -4.473 -3.459 17.360 299 3HD1 LEU 37 3HD1 LEU 37 -6.145 -3.929 17.662 300 1HD2 LEU 37 1HD2 LEU 37 -7.667 -4.436 15.806 301 2HD2 LEU 37 2HD2 LEU 37 -7.113 -4.321 14.136 302 3HD2 LEU 37 3HD2 LEU 37 -7.394 -2.854 15.074 303 H VAL 38 H VAL 38 -2.335 -4.271 12.816 304 HA VAL 38 HA VAL 38 -2.409 -6.976 13.863 305 HB VAL 38 HB VAL 38 -1.513 -5.985 11.142 306 1HG1 VAL 38 1HG1 VAL 38 -2.155 -8.784 12.065 307 2HG1 VAL 38 2HG1 VAL 38 -0.558 -8.161 11.655 308 3HG1 VAL 38 3HG1 VAL 38 -1.792 -8.307 10.405 309 1HG2 VAL 38 1HG2 VAL 38 -3.853 -5.481 11.540 310 2HG2 VAL 38 2HG2 VAL 38 -4.142 -7.142 12.047 311 3HG2 VAL 38 3HG2 VAL 38 -3.715 -6.797 10.371 312 H VAL 39 H VAL 39 0.069 -4.683 12.806 313 HA VAL 39 HA VAL 39 2.155 -6.623 13.394 314 HB VAL 39 HB VAL 39 2.458 -3.806 12.317 315 1HG1 VAL 39 1HG1 VAL 39 4.498 -4.711 13.310 316 2HG1 VAL 39 2HG1 VAL 39 4.658 -4.557 11.563 317 3HG1 VAL 39 3HG1 VAL 39 4.370 -6.141 12.285 318 1HG2 VAL 39 1HG2 VAL 39 2.305 -6.415 10.794 319 2HG2 VAL 39 2HG2 VAL 39 2.697 -4.843 10.097 320 3HG2 VAL 39 3HG2 VAL 39 1.098 -5.131 10.785 321 H GLY 40 H GLY 40 0.693 -3.758 14.848 322 1HA GLY 40 1HA GLY 40 0.942 -3.211 17.076 323 2HA GLY 40 2HA GLY 40 2.373 -4.234 17.159 324 H THR 41 H THR 41 2.996 -2.637 14.472 325 HA THR 41 HA THR 41 4.810 -0.832 15.669 326 HB THR 41 HB THR 41 5.076 -0.169 13.244 327 HG1 THR 41 HG1 THR 41 2.968 -0.987 12.669 328 1HG2 THR 41 1HG2 THR 41 5.496 -3.057 14.044 329 2HG2 THR 41 2HG2 THR 41 6.603 -1.711 14.343 330 3HG2 THR 41 3HG2 THR 41 6.289 -2.245 12.693 331 H THR 42 H THR 42 4.769 1.443 15.526 332 HA THR 42 HA THR 42 2.173 2.600 15.386 333 HB THR 42 HB THR 42 3.540 4.696 15.921 334 HG1 THR 42 HG1 THR 42 5.680 3.649 16.860 335 1HG2 THR 42 1HG2 THR 42 2.430 3.390 17.676 336 2HG2 THR 42 2HG2 THR 42 3.985 3.994 18.241 337 3HG2 THR 42 3HG2 THR 42 3.817 2.306 17.753 338 H VAL 43 H VAL 43 2.356 4.937 14.190 339 HA VAL 43 HA VAL 43 2.082 4.294 11.472 340 HB VAL 43 HB VAL 43 2.396 7.055 12.675 341 1HG1 VAL 43 1HG1 VAL 43 2.757 7.102 10.263 342 2HG1 VAL 43 2HG1 VAL 43 1.235 7.880 10.691 343 3HG1 VAL 43 3HG1 VAL 43 1.228 6.253 10.015 344 1HG2 VAL 43 1HG2 VAL 43 0.546 5.828 13.654 345 2HG2 VAL 43 2HG2 VAL 43 -0.092 5.473 12.047 346 3HG2 VAL 43 3HG2 VAL 43 -0.035 7.137 12.633 347 H ASP 44 H ASP 44 4.812 6.081 12.951 348 HA ASP 44 HA ASP 44 6.019 6.274 10.327 349 1HB ASP 44 1HB ASP 44 6.300 8.146 11.892 350 2HB ASP 44 2HB ASP 44 7.153 7.077 12.999 351 H SER 45 H SER 45 6.272 4.180 13.103 352 HA SER 45 HA SER 45 8.694 3.022 12.309 353 1HB SER 45 1HB SER 45 6.560 2.277 14.269 354 2HB SER 45 2HB SER 45 8.110 1.458 14.070 355 HG SER 45 HG SER 45 8.048 4.241 14.456 356 H MET 46 H MET 46 5.751 2.945 10.985 357 HA MET 46 HA MET 46 6.098 0.217 9.930 358 1HB MET 46 1HB MET 46 3.923 0.528 10.987 359 2HB MET 46 2HB MET 46 3.652 1.970 10.022 360 1HG MET 46 1HG MET 46 3.898 0.526 7.979 361 2HG MET 46 2HG MET 46 3.805 -0.859 9.062 362 1HE MET 46 1HE MET 46 0.380 -0.739 7.194 363 2HE MET 46 2HE MET 46 1.825 -1.692 7.531 364 3HE MET 46 3HE MET 46 1.942 -0.222 6.562 365 H ARG 47 H ARG 47 7.132 0.359 7.943 366 HA ARG 47 HA ARG 47 6.151 2.501 6.292 367 1HB ARG 47 1HB ARG 47 8.769 1.068 6.115 368 2HB ARG 47 2HB ARG 47 8.092 1.881 4.705 369 1HG ARG 47 1HG ARG 47 7.929 3.954 6.054 370 2HG ARG 47 2HG ARG 47 8.778 3.128 7.353 371 1HD ARG 47 1HD ARG 47 9.831 3.546 4.568 372 2HD ARG 47 2HD ARG 47 10.234 4.535 5.971 373 HE ARG 47 HE ARG 47 10.749 1.697 6.210 374 1HH1 ARG 47 1HH1 ARG 47 12.107 4.797 5.237 375 2HH1 ARG 47 2HH1 ARG 47 13.707 4.389 5.635 376 1HH2 ARG 47 1HH2 ARG 47 12.887 1.112 6.714 377 2HH2 ARG 47 2HH2 ARG 47 14.185 2.198 6.504 378 H ILE 48 H ILE 48 5.475 2.233 4.283 379 HA ILE 48 HA ILE 48 4.312 -0.439 3.955 380 HB ILE 48 HB ILE 48 2.712 1.242 4.702 381 1HG1 ILE 48 1HG1 ILE 48 1.006 1.046 2.877 382 2HG1 ILE 48 2HG1 ILE 48 2.263 0.313 1.882 383 1HG2 ILE 48 1HG2 ILE 48 3.384 2.831 2.286 384 2HG2 ILE 48 2HG2 ILE 48 3.599 3.271 3.986 385 3HG2 ILE 48 3HG2 ILE 48 1.981 3.104 3.315 386 1HD1 ILE 48 1HD1 ILE 48 2.500 -1.485 3.484 387 2HD1 ILE 48 2HD1 ILE 48 0.814 -1.325 2.960 388 3HD1 ILE 48 3HD1 ILE 48 1.314 -0.706 4.528 389 H GLN 49 H GLN 49 5.004 -1.453 2.133 390 HA GLN 49 HA GLN 49 5.785 0.238 -0.104 391 1HB GLN 49 1HB GLN 49 6.841 -2.471 0.659 392 2HB GLN 49 2HB GLN 49 7.044 -1.837 -0.963 393 1HG GLN 49 1HG GLN 49 9.061 -1.461 0.158 394 2HG GLN 49 2HG GLN 49 8.258 0.099 0.122 395 1HE2 GLN 49 1HE2 GLN 49 7.560 0.974 2.036 396 2HE2 GLN 49 2HE2 GLN 49 8.058 0.357 3.579 397 H LEU 50 H LEU 50 4.956 -0.137 -2.034 398 HA LEU 50 HA LEU 50 2.883 -2.235 -2.245 399 1HB LEU 50 1HB LEU 50 2.072 0.035 -2.597 400 2HB LEU 50 2HB LEU 50 3.231 0.273 -3.891 401 HG LEU 50 HG LEU 50 2.008 -1.643 -5.113 402 1HD1 LEU 50 1HD1 LEU 50 -0.249 -2.076 -4.525 403 2HD1 LEU 50 2HD1 LEU 50 0.016 -1.265 -2.978 404 3HD1 LEU 50 3HD1 LEU 50 0.940 -2.706 -3.393 405 1HD2 LEU 50 1HD2 LEU 50 1.742 0.708 -5.754 406 2HD2 LEU 50 2HD2 LEU 50 0.461 0.885 -4.555 407 3HD2 LEU 50 3HD2 LEU 50 0.240 -0.195 -5.931 408 H PHE 51 H PHE 51 3.123 -3.882 -3.644 409 HA PHE 51 HA PHE 51 5.308 -3.764 -5.598 410 1HB PHE 51 1HB PHE 51 3.633 -6.120 -4.704 411 2HB PHE 51 2HB PHE 51 4.942 -6.191 -5.859 412 HD1 PHE 51 HD1 PHE 51 7.188 -5.003 -4.717 413 HD2 PHE 51 HD2 PHE 51 4.090 -7.114 -2.720 414 HE1 PHE 51 HE1 PHE 51 8.754 -5.590 -2.913 415 HE2 PHE 51 HE2 PHE 51 5.642 -7.700 -0.918 416 HZ PHE 51 HZ PHE 51 7.980 -6.935 -1.008 417 H ASP 52 H ASP 52 4.801 -3.617 -7.689 418 HA ASP 52 HA ASP 52 1.977 -3.528 -8.432 419 1HB ASP 52 1HB ASP 52 3.301 -1.770 -9.278 420 2HB ASP 52 2HB ASP 52 4.424 -2.980 -10.019 421 H GLY 53 H GLY 53 1.362 -4.525 -9.944 422 1HA GLY 53 1HA GLY 53 0.445 -6.634 -10.799 423 2HA GLY 53 2HA GLY 53 2.001 -6.623 -11.601 424 H ASP 54 H ASP 54 3.669 -7.283 -10.111 425 HA ASP 54 HA ASP 54 3.325 -9.511 -8.318 426 1HB ASP 54 1HB ASP 54 2.737 -10.669 -10.398 427 2HB ASP 54 2HB ASP 54 4.188 -10.066 -11.159 428 H ASP 55 H ASP 55 5.022 -9.303 -7.022 429 HA ASP 55 HA ASP 55 7.064 -9.171 -6.163 430 1HB ASP 55 1HB ASP 55 7.720 -10.891 -7.703 431 2HB ASP 55 2HB ASP 55 8.033 -9.698 -8.956 432 H GLN 56 H GLN 56 7.100 -7.229 -9.118 433 HA GLN 56 HA GLN 56 9.265 -5.669 -8.391 434 1HB GLN 56 1HB GLN 56 8.472 -3.995 -9.981 435 2HB GLN 56 2HB GLN 56 8.656 -5.638 -10.584 436 1HG GLN 56 1HG GLN 56 6.208 -5.913 -10.393 437 2HG GLN 56 2HG GLN 56 6.088 -4.265 -9.794 438 1HE2 GLN 56 1HE2 GLN 56 4.837 -5.468 -12.053 439 2HE2 GLN 56 2HE2 GLN 56 5.306 -4.581 -13.441 440 H LEU 57 H LEU 57 9.639 -4.358 -7.110 441 HA LEU 57 HA LEU 57 7.629 -3.194 -5.330 442 1HB LEU 57 1HB LEU 57 9.677 -4.268 -4.414 443 2HB LEU 57 2HB LEU 57 10.660 -3.081 -5.224 444 HG LEU 57 HG LEU 57 8.698 -2.330 -3.028 445 1HD1 LEU 57 1HD1 LEU 57 11.626 -3.043 -2.804 446 2HD1 LEU 57 2HD1 LEU 57 10.281 -3.979 -2.149 447 3HD1 LEU 57 3HD1 LEU 57 10.633 -2.374 -1.512 448 1HD2 LEU 57 1HD2 LEU 57 9.530 -0.491 -4.445 449 2HD2 LEU 57 2HD2 LEU 57 11.188 -0.981 -4.092 450 3HD2 LEU 57 3HD2 LEU 57 10.151 -0.380 -2.797 451 H LYS 58 H LYS 58 6.767 -1.331 -5.593 452 HA LYS 58 HA LYS 58 7.831 0.480 -7.606 453 1HB LYS 58 1HB LYS 58 5.349 0.615 -5.907 454 2HB LYS 58 2HB LYS 58 5.756 1.782 -7.147 455 1HG LYS 58 1HG LYS 58 5.195 -1.160 -7.570 456 2HG LYS 58 2HG LYS 58 4.094 0.165 -7.937 457 1HD LYS 58 1HD LYS 58 6.798 -0.276 -9.240 458 2HD LYS 58 2HD LYS 58 5.248 -0.701 -9.948 459 1HE LYS 58 1HE LYS 58 4.580 1.647 -9.932 460 2HE LYS 58 2HE LYS 58 6.114 2.085 -9.181 461 1HZ LYS 58 1HZ LYS 58 6.140 2.487 -11.545 462 2HZ LYS 58 2HZ LYS 58 5.812 0.860 -11.877 463 3HZ LYS 58 3HZ LYS 58 7.257 1.303 -11.136 464 H GLY 59 H GLY 59 7.108 0.473 -4.188 465 1HA GLY 59 1HA GLY 59 9.223 1.698 -3.144 466 2HA GLY 59 2HA GLY 59 8.346 3.063 -3.829 467 H GLU 60 H GLU 60 7.982 3.933 -1.816 468 HA GLU 60 HA GLU 60 6.257 2.385 -0.058 469 1HB GLU 60 1HB GLU 60 7.580 5.069 0.374 470 2HB GLU 60 2HB GLU 60 6.518 4.284 1.515 471 1HG GLU 60 1HG GLU 60 8.699 4.020 2.259 472 2HG GLU 60 2HG GLU 60 8.173 2.458 1.693 473 H LEU 61 H LEU 61 4.328 3.080 0.447 474 HA LEU 61 HA LEU 61 3.028 4.928 -1.423 475 1HB LEU 61 1HB LEU 61 1.886 3.486 0.970 476 2HB LEU 61 2HB LEU 61 0.972 4.379 -0.234 477 HG LEU 61 HG LEU 61 2.590 1.897 -0.801 478 1HD1 LEU 61 1HD1 LEU 61 0.674 1.410 0.616 479 2HD1 LEU 61 2HD1 LEU 61 0.437 0.786 -1.018 480 3HD1 LEU 61 3HD1 LEU 61 -0.381 2.264 -0.508 481 1HD2 LEU 61 1HD2 LEU 61 1.414 1.950 -2.952 482 2HD2 LEU 61 2HD2 LEU 61 2.394 3.395 -2.708 483 3HD2 LEU 61 3HD2 LEU 61 0.650 3.465 -2.476 484 H THR 62 H THR 62 2.336 4.944 1.739 485 HA THR 62 HA THR 62 2.850 6.338 3.542 486 HB THR 62 HB THR 62 4.592 7.933 1.669 487 HG1 THR 62 HG1 THR 62 6.240 6.523 2.275 488 1HG2 THR 62 1HG2 THR 62 4.742 7.453 4.639 489 2HG2 THR 62 2HG2 THR 62 4.211 8.965 3.882 490 3HG2 THR 62 3HG2 THR 62 5.884 8.400 3.694 491 H ASP 63 H ASP 63 1.061 7.289 0.888 492 HA ASP 63 HA ASP 63 0.341 9.861 2.175 493 1HB ASP 63 1HB ASP 63 -0.253 9.024 -0.635 494 2HB ASP 63 2HB ASP 63 -0.720 10.526 0.089 495 H GLY 64 H GLY 64 -1.354 9.654 3.341 496 1HA GLY 64 1HA GLY 64 -3.519 7.901 2.385 497 2HA GLY 64 2HA GLY 64 -3.381 8.355 4.068 498 H ALA 65 H ALA 65 -2.654 10.945 2.127 499 HA ALA 65 HA ALA 65 -5.103 12.316 2.678 500 1HB ALA 65 1HB ALA 65 -4.087 14.155 1.416 501 2HB ALA 65 2HB ALA 65 -2.786 13.078 0.901 502 3HB ALA 65 3HB ALA 65 -2.964 13.495 2.605 503 H LYS 66 H LYS 66 -4.257 10.100 0.424 504 HA LYS 66 HA LYS 66 -6.465 10.849 -1.312 505 1HB LYS 66 1HB LYS 66 -5.187 9.916 -3.237 506 2HB LYS 66 2HB LYS 66 -4.460 11.367 -2.558 507 1HG LYS 66 1HG LYS 66 -2.778 10.056 -1.430 508 2HG LYS 66 2HG LYS 66 -3.552 8.560 -1.950 509 1HD LYS 66 1HD LYS 66 -1.599 9.082 -3.330 510 2HD LYS 66 2HD LYS 66 -3.078 9.119 -4.282 511 1HE LYS 66 1HE LYS 66 -3.098 11.570 -4.098 512 2HE LYS 66 2HE LYS 66 -1.590 11.500 -3.183 513 1HZ LYS 66 1HZ LYS 66 -1.215 11.976 -5.533 514 2HZ LYS 66 2HZ LYS 66 -2.016 10.542 -5.939 515 3HZ LYS 66 3HZ LYS 66 -0.540 10.471 -5.123 516 H SER 67 H SER 67 -6.848 8.566 -2.759 517 HA SER 67 HA SER 67 -7.301 6.707 -0.674 518 1HB SER 67 1HB SER 67 -8.545 5.584 -2.499 519 2HB SER 67 2HB SER 67 -9.157 7.163 -2.032 520 HG SER 67 HG SER 67 -9.005 7.521 -4.098 521 H LEU 68 H LEU 68 -7.010 4.561 -1.222 522 HA LEU 68 HA LEU 68 -4.348 3.938 -1.895 523 1HB LEU 68 1HB LEU 68 -6.805 2.332 -1.372 524 2HB LEU 68 2HB LEU 68 -5.283 1.555 -1.749 525 HG LEU 68 HG LEU 68 -5.528 3.526 0.521 526 1HD1 LEU 68 1HD1 LEU 68 -7.078 1.685 0.917 527 2HD1 LEU 68 2HD1 LEU 68 -5.692 1.622 2.001 528 3HD1 LEU 68 3HD1 LEU 68 -5.781 0.532 0.613 529 1HD2 LEU 68 1HD2 LEU 68 -3.286 3.119 -0.274 530 2HD2 LEU 68 2HD2 LEU 68 -3.571 1.388 -0.223 531 3HD2 LEU 68 3HD2 LEU 68 -3.510 2.294 1.275 532 H LYS 69 H LYS 69 -7.290 4.032 -3.667 533 HA LYS 69 HA LYS 69 -6.486 2.510 -5.908 534 1HB LYS 69 1HB LYS 69 -8.840 3.094 -5.502 535 2HB LYS 69 2HB LYS 69 -8.458 4.783 -5.759 536 1HG LYS 69 1HG LYS 69 -7.907 4.369 -8.060 537 2HG LYS 69 2HG LYS 69 -8.150 2.637 -7.839 538 1HD LYS 69 1HD LYS 69 -10.487 3.025 -7.308 539 2HD LYS 69 2HD LYS 69 -10.250 4.766 -7.497 540 1HE LYS 69 1HE LYS 69 -9.706 4.481 -9.820 541 2HE LYS 69 2HE LYS 69 -9.777 2.725 -9.658 542 1HZ LYS 69 1HZ LYS 69 -11.800 3.602 -10.624 543 2HZ LYS 69 2HZ LYS 69 -12.065 4.578 -9.266 544 3HZ LYS 69 3HZ LYS 69 -12.075 2.885 -9.119 545 H ASP 70 H ASP 70 -6.185 5.917 -5.107 546 HA ASP 70 HA ASP 70 -5.140 6.711 -7.653 547 1HB ASP 70 1HB ASP 70 -6.232 8.213 -5.945 548 2HB ASP 70 2HB ASP 70 -4.757 8.114 -5.020 549 H LEU 71 H LEU 71 -3.886 5.581 -4.716 550 HA LEU 71 HA LEU 71 -1.100 6.051 -5.240 551 1HB LEU 71 1HB LEU 71 -2.487 4.203 -3.332 552 2HB LEU 71 2HB LEU 71 -0.750 4.321 -3.458 553 HG LEU 71 HG LEU 71 -2.570 6.605 -2.626 554 1HD1 LEU 71 1HD1 LEU 71 -1.622 6.220 -0.441 555 2HD1 LEU 71 2HD1 LEU 71 -0.808 4.770 -1.049 556 3HD1 LEU 71 3HD1 LEU 71 -2.568 4.849 -1.012 557 1HD2 LEU 71 1HD2 LEU 71 -0.474 7.307 -3.745 558 2HD2 LEU 71 2HD2 LEU 71 0.436 6.303 -2.617 559 3HD2 LEU 71 3HD2 LEU 71 -0.482 7.683 -2.023 560 H GLY 72 H GLY 72 -3.292 3.831 -6.486 561 1HA GLY 72 1HA GLY 72 -2.743 2.396 -8.275 562 2HA GLY 72 2HA GLY 72 -1.074 2.388 -7.706 563 H VAL 73 H VAL 73 -3.012 2.026 -5.096 564 HA VAL 73 HA VAL 73 -2.371 -0.757 -4.901 565 HB VAL 73 HB VAL 73 -3.991 0.982 -3.042 566 1HG1 VAL 73 1HG1 VAL 73 -3.383 -0.659 -1.309 567 2HG1 VAL 73 2HG1 VAL 73 -2.590 -1.635 -2.543 568 3HG1 VAL 73 3HG1 VAL 73 -4.331 -1.367 -2.615 569 1HG2 VAL 73 1HG2 VAL 73 -1.931 1.245 -1.724 570 2HG2 VAL 73 2HG2 VAL 73 -1.823 1.965 -3.330 571 3HG2 VAL 73 3HG2 VAL 73 -1.037 0.425 -3.004 572 H ARG 74 H ARG 74 -3.681 -1.750 -6.370 573 HA ARG 74 HA ARG 74 -6.588 -1.464 -6.086 574 1HB ARG 74 1HB ARG 74 -5.008 -1.802 -8.656 575 2HB ARG 74 2HB ARG 74 -6.757 -1.643 -8.532 576 1HG ARG 74 1HG ARG 74 -6.527 0.630 -7.691 577 2HG ARG 74 2HG ARG 74 -4.776 0.471 -7.688 578 1HD ARG 74 1HD ARG 74 -4.862 0.181 -10.155 579 2HD ARG 74 2HD ARG 74 -6.602 0.476 -10.085 580 HE ARG 74 HE ARG 74 -5.329 2.595 -8.788 581 1HH1 ARG 74 1HH1 ARG 74 -5.605 1.329 -12.094 582 2HH1 ARG 74 2HH1 ARG 74 -5.308 2.829 -12.821 583 1HH2 ARG 74 1HH2 ARG 74 -4.909 4.653 -9.823 584 2HH2 ARG 74 2HH2 ARG 74 -4.921 4.755 -11.515 585 H ASP 75 H ASP 75 -7.464 -3.534 -7.545 586 HA ASP 75 HA ASP 75 -6.532 -5.725 -6.008 587 1HB ASP 75 1HB ASP 75 -8.032 -7.151 -7.272 588 2HB ASP 75 2HB ASP 75 -8.838 -5.710 -6.687 589 H GLY 76 H GLY 76 -5.502 -7.425 -6.514 590 1HA GLY 76 1HA GLY 76 -4.123 -8.845 -7.904 591 2HA GLY 76 2HA GLY 76 -4.068 -7.555 -9.094 592 H TYR 77 H TYR 77 -3.560 -5.804 -6.590 593 HA TYR 77 HA TYR 77 -0.704 -5.879 -6.871 594 1HB TYR 77 1HB TYR 77 -2.578 -3.935 -5.569 595 2HB TYR 77 2HB TYR 77 -0.835 -3.848 -5.332 596 HD1 TYR 77 HD1 TYR 77 -3.436 -3.879 -8.009 597 HD2 TYR 77 HD2 TYR 77 0.489 -2.771 -6.852 598 HE1 TYR 77 HE1 TYR 77 -3.170 -2.635 -10.112 599 HE2 TYR 77 HE2 TYR 77 0.768 -1.533 -8.935 600 HH TYR 77 HH TYR 77 -0.100 -1.535 -11.110 601 H ARG 78 H ARG 78 0.736 -5.747 -5.084 602 HA ARG 78 HA ARG 78 -0.280 -7.261 -2.805 603 1HB ARG 78 1HB ARG 78 2.457 -7.533 -4.074 604 2HB ARG 78 2HB ARG 78 1.868 -8.425 -2.677 605 1HG ARG 78 1HG ARG 78 0.129 -9.444 -4.115 606 2HG ARG 78 2HG ARG 78 0.807 -8.577 -5.483 607 1HD ARG 78 1HD ARG 78 2.946 -9.731 -5.140 608 2HD ARG 78 2HD ARG 78 2.225 -10.636 -3.808 609 HE ARG 78 HE ARG 78 0.718 -10.858 -6.199 610 1HH1 ARG 78 1HH1 ARG 78 3.504 -12.173 -4.499 611 2HH1 ARG 78 2HH1 ARG 78 3.549 -13.637 -5.358 612 1HH2 ARG 78 1HH2 ARG 78 0.757 -12.892 -7.409 613 2HH2 ARG 78 2HH2 ARG 78 1.955 -14.049 -7.033 614 H ILE 79 H ILE 79 0.226 -6.515 -0.896 615 HA ILE 79 HA ILE 79 1.682 -3.992 -0.793 616 HB ILE 79 HB ILE 79 -0.451 -5.173 0.968 617 1HG1 ILE 79 1HG1 ILE 79 -1.147 -3.829 -0.983 618 2HG1 ILE 79 2HG1 ILE 79 -1.651 -3.130 0.560 619 1HG2 ILE 79 1HG2 ILE 79 1.173 -4.390 2.535 620 2HG2 ILE 79 2HG2 ILE 79 -0.201 -3.271 2.528 621 3HG2 ILE 79 3HG2 ILE 79 1.293 -2.858 1.675 622 1HD1 ILE 79 1HD1 ILE 79 -0.884 -1.420 -0.968 623 2HD1 ILE 79 2HD1 ILE 79 0.672 -2.229 -1.128 624 3HD1 ILE 79 3HD1 ILE 79 0.191 -1.537 0.422 625 H HIS 80 H HIS 80 3.448 -3.814 0.474 626 HA HIS 80 HA HIS 80 4.242 -6.148 2.058 627 1HB HIS 80 1HB HIS 80 5.688 -5.849 0.151 628 2HB HIS 80 2HB HIS 80 5.930 -4.156 0.545 629 HD1 HIS 80 HD1 HIS 80 6.795 -7.612 1.745 630 HD2 HIS 80 HD2 HIS 80 7.891 -3.661 2.342 631 HE1 HIS 80 HE1 HIS 80 8.729 -7.736 3.281 632 HE2 HIS 80 HE2 HIS 80 9.657 -5.399 3.220 633 H ALA 81 H ALA 81 4.191 -5.753 4.174 634 HA ALA 81 HA ALA 81 4.506 -2.996 5.089 635 1HB ALA 81 1HB ALA 81 3.537 -3.837 7.201 636 2HB ALA 81 2HB ALA 81 3.426 -5.452 6.495 637 3HB ALA 81 3HB ALA 81 2.468 -4.131 5.830 638 H VAL 82 H VAL 82 6.108 -2.558 6.665 639 HA VAL 82 HA VAL 82 7.792 -4.734 7.489 640 HB VAL 82 HB VAL 82 8.697 -3.962 5.341 641 1HG1 VAL 82 1HG1 VAL 82 7.947 -1.683 5.350 642 2HG1 VAL 82 2HG1 VAL 82 9.684 -1.766 5.079 643 3HG1 VAL 82 3HG1 VAL 82 9.060 -1.291 6.665 644 1HG2 VAL 82 1HG2 VAL 82 11.018 -3.550 6.066 645 2HG2 VAL 82 2HG2 VAL 82 10.247 -4.857 6.966 646 3HG2 VAL 82 3HG2 VAL 82 10.436 -3.270 7.707 647 H ASP 83 H ASP 83 8.694 -4.342 9.511 648 HA ASP 83 HA ASP 83 7.756 -2.049 10.861 649 1HB ASP 83 1HB ASP 83 8.390 -3.161 12.761 650 2HB ASP 83 2HB ASP 83 7.890 -4.461 11.719 651 H VAL 84 H VAL 84 9.023 -0.418 11.505 652 HA VAL 84 HA VAL 84 11.843 -0.446 10.645 653 HB VAL 84 HB VAL 84 10.141 1.958 11.317 654 1HG1 VAL 84 1HG1 VAL 84 11.801 3.249 10.051 655 2HG1 VAL 84 2HG1 VAL 84 12.712 1.768 9.764 656 3HG1 VAL 84 3HG1 VAL 84 12.529 2.383 11.407 657 1HG2 VAL 84 1HG2 VAL 84 9.858 2.359 8.916 658 2HG2 VAL 84 2HG2 VAL 84 9.095 0.851 9.428 659 3HG2 VAL 84 3HG2 VAL 84 10.634 0.816 8.568 660 H THR 85 H THR 85 10.139 -1.227 13.180 661 HA THR 85 HA THR 85 11.222 0.522 15.183 662 HB THR 85 HB THR 85 8.955 -0.296 15.404 663 HG1 THR 85 HG1 THR 85 9.267 -0.138 17.451 664 1HG2 THR 85 1HG2 THR 85 9.154 -2.483 14.401 665 2HG2 THR 85 2HG2 THR 85 8.455 -2.645 16.010 666 3HG2 THR 85 3HG2 THR 85 10.153 -3.050 15.736 667 H GLY 86 H GLY 86 11.841 -2.683 13.969 668 1HA GLY 86 1HA GLY 86 13.899 -3.090 16.018 669 2HA GLY 86 2HA GLY 86 13.369 -4.279 14.833 670 H GLY 87 H GLY 87 13.687 -1.524 13.178 671 1HA GLY 87 1HA GLY 87 15.292 -0.681 11.730 672 2HA GLY 87 2HA GLY 87 16.520 -1.429 12.748 673 H ASN 88 H ASN 88 13.969 -3.370 11.585 674 HA ASN 88 HA ASN 88 15.800 -5.067 10.179 675 1HB ASN 88 1HB ASN 88 12.794 -5.254 10.516 676 2HB ASN 88 2HB ASN 88 13.773 -6.455 9.698 677 1HD2 ASN 88 1HD2 ASN 88 13.183 -8.075 11.112 678 2HD2 ASN 88 2HD2 ASN 88 13.741 -8.161 12.729 679 H GLU 89 H GLU 89 16.027 -5.306 8.071 680 HA GLU 89 HA GLU 89 15.881 -5.062 5.824 681 1HB GLU 89 1HB GLU 89 13.104 -3.978 6.299 682 2HB GLU 89 2HB GLU 89 13.744 -4.553 4.771 683 1HG GLU 89 1HG GLU 89 13.209 -6.196 7.231 684 2HG GLU 89 2HG GLU 89 12.264 -6.187 5.749 685 H ASP 90 H ASP 90 16.516 -2.751 7.751 686 HA ASP 90 HA ASP 90 16.197 -0.608 5.774 687 1HB ASP 90 1HB ASP 90 14.845 -0.131 7.761 688 2HB ASP 90 2HB ASP 90 16.276 -0.279 8.777 Start of MODEL 15 1 H MET 1 H MET 1 -21.490 -0.291 -7.475 2 HA MET 1 HA MET 1 -19.464 1.015 -9.150 3 1HB MET 1 1HB MET 1 -21.169 2.586 -8.266 4 2HB MET 1 2HB MET 1 -20.909 1.962 -6.653 5 1HG MET 1 1HG MET 1 -18.626 2.846 -6.688 6 2HG MET 1 2HG MET 1 -18.907 3.490 -8.305 7 1HE MET 1 1HE MET 1 -18.234 5.941 -7.500 8 2HE MET 1 2HE MET 1 -17.901 5.289 -5.900 9 3HE MET 1 3HE MET 1 -18.919 6.724 -6.076 10 H THR 2 H THR 2 -17.943 -0.578 -8.847 11 HA THR 2 HA THR 2 -17.485 -1.374 -6.115 12 HB THR 2 HB THR 2 -17.907 -3.234 -7.563 13 HG1 THR 2 HG1 THR 2 -15.984 -4.409 -7.168 14 1HG2 THR 2 1HG2 THR 2 -15.523 -2.321 -9.195 15 2HG2 THR 2 2HG2 THR 2 -17.210 -2.321 -9.720 16 3HG2 THR 2 3HG2 THR 2 -16.384 -3.846 -9.414 17 H GLU 3 H GLU 3 -15.948 -0.522 -5.014 18 HA GLU 3 HA GLU 3 -13.406 -0.064 -6.312 19 1HB GLU 3 1HB GLU 3 -14.766 1.837 -4.421 20 2HB GLU 3 2HB GLU 3 -13.035 1.881 -4.717 21 1HG GLU 3 1HG GLU 3 -13.413 2.303 -7.042 22 2HG GLU 3 2HG GLU 3 -15.153 2.122 -6.775 23 H VAL 4 H VAL 4 -13.226 -2.108 -5.569 24 HA VAL 4 HA VAL 4 -12.238 -2.214 -2.807 25 HB VAL 4 HB VAL 4 -13.058 -4.520 -2.524 26 1HG1 VAL 4 1HG1 VAL 4 -14.411 -2.729 -1.627 27 2HG1 VAL 4 2HG1 VAL 4 -15.442 -4.037 -2.217 28 3HG1 VAL 4 3HG1 VAL 4 -15.250 -2.566 -3.169 29 1HG2 VAL 4 1HG2 VAL 4 -13.191 -5.212 -4.859 30 2HG2 VAL 4 2HG2 VAL 4 -14.511 -4.077 -5.134 31 3HG2 VAL 4 3HG2 VAL 4 -14.745 -5.457 -4.060 32 H TYR 5 H TYR 5 -10.504 -3.358 -2.471 33 HA TYR 5 HA TYR 5 -9.260 -4.710 -4.799 34 1HB TYR 5 1HB TYR 5 -7.063 -3.931 -3.971 35 2HB TYR 5 2HB TYR 5 -8.109 -2.614 -4.467 36 HD1 TYR 5 HD1 TYR 5 -7.169 -4.499 -1.402 37 HD2 TYR 5 HD2 TYR 5 -8.255 -0.760 -3.056 38 HE1 TYR 5 HE1 TYR 5 -6.769 -3.456 0.759 39 HE2 TYR 5 HE2 TYR 5 -7.868 0.303 -0.875 40 HH TYR 5 HH TYR 5 -7.829 -0.379 1.516 41 H ASP 6 H ASP 6 -8.476 -6.680 -4.507 42 HA ASP 6 HA ASP 6 -8.218 -7.665 -1.754 43 1HB ASP 6 1HB ASP 6 -8.146 -9.139 -4.367 44 2HB ASP 6 2HB ASP 6 -7.780 -9.894 -2.845 45 H LEU 7 H LEU 7 -6.347 -7.495 -0.974 46 HA LEU 7 HA LEU 7 -4.021 -7.292 -2.745 47 1HB LEU 7 1HB LEU 7 -4.499 -6.228 0.005 48 2HB LEU 7 2HB LEU 7 -2.940 -6.255 -0.772 49 HG LEU 7 HG LEU 7 -5.354 -4.716 -1.698 50 1HD1 LEU 7 1HD1 LEU 7 -4.037 -2.759 -1.003 51 2HD1 LEU 7 2HD1 LEU 7 -2.808 -3.854 -0.354 52 3HD1 LEU 7 3HD1 LEU 7 -4.421 -3.830 0.343 53 1HD2 LEU 7 1HD2 LEU 7 -3.793 -3.645 -3.257 54 2HD2 LEU 7 2HD2 LEU 7 -3.963 -5.364 -3.576 55 3HD2 LEU 7 3HD2 LEU 7 -2.527 -4.762 -2.748 56 H GLU 8 H GLU 8 -2.146 -8.276 -2.139 57 HA GLU 8 HA GLU 8 -2.412 -10.318 -0.061 58 1HB GLU 8 1HB GLU 8 -1.853 -11.198 -2.286 59 2HB GLU 8 2HB GLU 8 -0.464 -10.106 -2.370 60 1HG GLU 8 1HG GLU 8 0.536 -11.254 -0.471 61 2HG GLU 8 2HG GLU 8 -0.860 -12.328 -0.378 62 H ILE 9 H ILE 9 -1.583 -9.693 1.680 63 HA ILE 9 HA ILE 9 0.266 -7.426 1.725 64 HB ILE 9 HB ILE 9 -1.253 -8.735 3.989 65 1HG1 ILE 9 1HG1 ILE 9 -2.831 -7.714 2.426 66 2HG1 ILE 9 2HG1 ILE 9 -2.771 -6.784 3.916 67 1HG2 ILE 9 1HG2 ILE 9 0.736 -7.586 4.764 68 2HG2 ILE 9 2HG2 ILE 9 -0.717 -6.737 5.282 69 3HG2 ILE 9 3HG2 ILE 9 0.234 -6.111 3.933 70 1HD1 ILE 9 1HD1 ILE 9 -1.443 -6.095 1.311 71 2HD1 ILE 9 2HD1 ILE 9 -1.324 -5.145 2.797 72 3HD1 ILE 9 3HD1 ILE 9 -2.881 -5.328 1.985 73 H THR 10 H THR 10 2.269 -7.645 2.497 74 HA THR 10 HA THR 10 2.938 -10.069 3.971 75 HB THR 10 HB THR 10 4.980 -8.875 2.223 76 HG1 THR 10 HG1 THR 10 2.637 -9.932 1.332 77 1HG2 THR 10 1HG2 THR 10 5.563 -10.679 3.741 78 2HG2 THR 10 2HG2 THR 10 5.754 -11.224 2.075 79 3HG2 THR 10 3HG2 THR 10 4.345 -11.723 3.007 80 H THR 11 H THR 11 5.012 -9.593 5.135 81 HA THR 11 HA THR 11 5.540 -6.841 5.830 82 HB THR 11 HB THR 11 4.661 -8.654 8.004 83 HG1 THR 11 HG1 THR 11 2.765 -8.450 6.749 84 1HG2 THR 11 1HG2 THR 11 5.824 -6.661 8.688 85 2HG2 THR 11 2HG2 THR 11 4.144 -6.519 9.202 86 3HG2 THR 11 3HG2 THR 11 4.708 -5.644 7.780 87 H ASN 12 H ASN 12 7.192 -6.940 7.552 88 HA ASN 12 HA ASN 12 9.015 -9.091 7.014 89 1HB ASN 12 1HB ASN 12 10.606 -7.823 8.342 90 2HB ASN 12 2HB ASN 12 9.863 -6.809 7.125 91 1HD2 ASN 12 1HD2 ASN 12 11.238 -6.118 9.593 92 2HD2 ASN 12 2HD2 ASN 12 10.163 -5.179 10.541 93 H ALA 13 H ALA 13 6.789 -8.118 9.414 94 HA ALA 13 HA ALA 13 7.822 -9.929 11.373 95 1HB ALA 13 1HB ALA 13 6.053 -9.050 12.818 96 2HB ALA 13 2HB ALA 13 5.382 -8.173 11.435 97 3HB ALA 13 3HB ALA 13 6.983 -7.762 12.044 98 H THR 14 H THR 14 6.075 -10.366 8.665 99 HA THR 14 HA THR 14 4.511 -12.573 9.811 100 HB THR 14 HB THR 14 3.089 -12.403 7.770 101 HG1 THR 14 HG1 THR 14 4.931 -11.176 6.737 102 1HG2 THR 14 1HG2 THR 14 2.358 -11.275 9.827 103 2HG2 THR 14 2HG2 THR 14 1.874 -10.350 8.406 104 3HG2 THR 14 3HG2 THR 14 3.263 -9.834 9.367 105 H ASP 15 H ASP 15 4.792 -14.553 8.853 106 HA ASP 15 HA ASP 15 7.143 -14.807 7.146 107 1HB ASP 15 1HB ASP 15 5.381 -16.964 8.337 108 2HB ASP 15 2HB ASP 15 6.887 -17.235 7.482 109 H PHE 16 H PHE 16 3.742 -15.577 7.178 110 HA PHE 16 HA PHE 16 3.904 -16.233 4.351 111 1HB PHE 16 1HB PHE 16 1.796 -16.948 6.396 112 2HB PHE 16 2HB PHE 16 1.701 -17.350 4.688 113 HD1 PHE 16 HD1 PHE 16 3.061 -18.254 7.900 114 HD2 PHE 16 HD2 PHE 16 3.403 -18.894 3.706 115 HE1 PHE 16 HE1 PHE 16 4.338 -20.312 8.320 116 HE2 PHE 16 HE2 PHE 16 4.675 -20.953 4.118 117 HZ PHE 16 HZ PHE 16 5.147 -21.666 6.430 118 HA PRO 17 HA PRO 17 1.751 -12.457 3.339 119 1HB PRO 17 1HB PRO 17 0.635 -14.070 1.108 120 2HB PRO 17 2HB PRO 17 1.535 -12.551 1.053 121 1HG PRO 17 1HG PRO 17 2.699 -14.819 0.318 122 2HG PRO 17 2HG PRO 17 3.593 -13.608 1.256 123 1HD PRO 17 1HD PRO 17 2.334 -16.164 2.168 124 2HD PRO 17 2HD PRO 17 3.907 -15.442 2.593 125 H MET 18 H MET 18 -0.297 -11.621 3.459 126 HA MET 18 HA MET 18 -2.471 -13.477 4.171 127 1HB MET 18 1HB MET 18 -1.836 -10.786 5.416 128 2HB MET 18 2HB MET 18 -3.233 -11.781 5.796 129 1HG MET 18 1HG MET 18 -1.812 -13.502 6.718 130 2HG MET 18 2HG MET 18 -0.371 -12.613 6.232 131 1HE MET 18 1HE MET 18 -3.511 -12.648 8.596 132 2HE MET 18 2HE MET 18 -3.685 -11.089 7.781 133 3HE MET 18 3HE MET 18 -3.296 -11.151 9.499 134 H GLU 19 H GLU 19 -4.228 -13.189 2.930 135 HA GLU 19 HA GLU 19 -4.313 -10.804 1.221 136 1HB GLU 19 1HB GLU 19 -5.781 -13.425 0.983 137 2HB GLU 19 2HB GLU 19 -5.868 -12.099 -0.166 138 1HG GLU 19 1HG GLU 19 -3.534 -12.353 -0.707 139 2HG GLU 19 2HG GLU 19 -3.355 -13.612 0.508 140 H LYS 20 H LYS 20 -5.886 -9.339 1.440 141 HA LYS 20 HA LYS 20 -8.321 -9.960 2.890 142 1HB LYS 20 1HB LYS 20 -6.348 -9.404 4.466 143 2HB LYS 20 2HB LYS 20 -6.574 -7.754 3.916 144 1HG LYS 20 1HG LYS 20 -8.776 -7.694 4.830 145 2HG LYS 20 2HG LYS 20 -8.731 -9.428 5.189 146 1HD LYS 20 1HD LYS 20 -6.726 -8.975 6.629 147 2HD LYS 20 2HD LYS 20 -7.053 -7.266 6.328 148 1HE LYS 20 1HE LYS 20 -8.979 -9.191 7.646 149 2HE LYS 20 2HE LYS 20 -7.925 -8.092 8.527 150 1HZ LYS 20 1HZ LYS 20 -10.071 -7.296 6.638 151 2HZ LYS 20 2HZ LYS 20 -9.062 -6.236 7.484 152 3HZ LYS 20 3HZ LYS 20 -10.140 -7.206 8.313 153 H LYS 21 H LYS 21 -9.932 -8.481 2.346 154 HA LYS 21 HA LYS 21 -9.231 -6.694 0.119 155 1HB LYS 21 1HB LYS 21 -10.773 -8.489 -0.468 156 2HB LYS 21 2HB LYS 21 -11.855 -7.997 0.827 157 1HG LYS 21 1HG LYS 21 -12.305 -5.898 -0.322 158 2HG LYS 21 2HG LYS 21 -11.176 -6.342 -1.599 159 1HD LYS 21 1HD LYS 21 -13.468 -6.756 -2.299 160 2HD LYS 21 2HD LYS 21 -12.580 -8.270 -2.160 161 1HE LYS 21 1HE LYS 21 -13.603 -8.672 0.027 162 2HE LYS 21 2HE LYS 21 -14.467 -7.140 -0.092 163 1HZ LYS 21 1HZ LYS 21 -14.787 -9.470 -1.899 164 2HZ LYS 21 2HZ LYS 21 -15.604 -8.004 -2.042 165 3HZ LYS 21 3HZ LYS 21 -15.867 -8.985 -0.693 166 H TYR 22 H TYR 22 -9.699 -4.586 0.147 167 HA TYR 22 HA TYR 22 -11.473 -3.493 2.184 168 1HB TYR 22 1HB TYR 22 -8.624 -2.577 1.721 169 2HB TYR 22 2HB TYR 22 -9.816 -1.599 2.543 170 HD1 TYR 22 HD1 TYR 22 -10.715 -2.373 4.720 171 HD2 TYR 22 HD2 TYR 22 -7.427 -4.278 2.830 172 HE1 TYR 22 HE1 TYR 22 -10.075 -3.356 6.858 173 HE2 TYR 22 HE2 TYR 22 -6.771 -5.280 4.977 174 HH TYR 22 HH TYR 22 -7.088 -4.845 7.438 175 HA PRO 23 HA PRO 23 -12.704 -0.813 -1.161 176 1HB PRO 23 1HB PRO 23 -12.758 1.561 0.527 177 2HB PRO 23 2HB PRO 23 -14.114 0.677 -0.168 178 1HG PRO 23 1HG PRO 23 -13.608 0.691 2.475 179 2HG PRO 23 2HG PRO 23 -14.296 -0.715 1.643 180 1HD PRO 23 1HD PRO 23 -11.474 -0.216 2.498 181 2HD PRO 23 2HD PRO 23 -12.450 -1.698 2.639 182 H ALA 24 H ALA 24 -11.820 0.455 -2.689 183 HA ALA 24 HA ALA 24 -9.101 1.423 -2.376 184 1HB ALA 24 1HB ALA 24 -10.941 1.835 -4.736 185 2HB ALA 24 2HB ALA 24 -9.915 0.424 -4.502 186 3HB ALA 24 3HB ALA 24 -9.187 2.014 -4.713 187 H GLY 25 H GLY 25 -12.037 2.788 -1.705 188 1HA GLY 25 1HA GLY 25 -11.279 5.554 -2.158 189 2HA GLY 25 2HA GLY 25 -12.710 4.998 -1.299 190 H MET 26 H MET 26 -10.722 3.230 0.156 191 HA MET 26 HA MET 26 -10.434 4.716 2.547 192 1HB MET 26 1HB MET 26 -10.797 2.362 2.454 193 2HB MET 26 2HB MET 26 -9.343 2.108 1.515 194 1HG MET 26 1HG MET 26 -8.036 2.728 3.497 195 2HG MET 26 2HG MET 26 -9.550 2.908 4.404 196 1HE MET 26 1HE MET 26 -7.161 0.917 5.186 197 2HE MET 26 2HE MET 26 -8.058 -0.519 5.668 198 3HE MET 26 3HE MET 26 -8.614 1.081 6.170 199 H SER 27 H SER 27 -8.392 5.283 3.574 200 HA SER 27 HA SER 27 -6.354 6.273 1.711 201 1HB SER 27 1HB SER 27 -5.468 7.359 3.719 202 2HB SER 27 2HB SER 27 -7.130 7.823 3.409 203 HG SER 27 HG SER 27 -7.152 7.337 5.492 204 H LEU 28 H LEU 28 -4.240 5.840 1.870 205 HA LEU 28 HA LEU 28 -3.451 3.201 2.455 206 1HB LEU 28 1HB LEU 28 -2.362 4.946 0.962 207 2HB LEU 28 2HB LEU 28 -1.749 5.667 2.387 208 HG LEU 28 HG LEU 28 -0.047 4.287 1.136 209 1HD1 LEU 28 1HD1 LEU 28 0.969 3.299 3.087 210 2HD1 LEU 28 2HD1 LEU 28 -0.572 3.398 3.939 211 3HD1 LEU 28 3HD1 LEU 28 0.267 4.878 3.476 212 1HD2 LEU 28 1HD2 LEU 28 -0.082 1.868 1.446 213 2HD2 LEU 28 2HD2 LEU 28 -1.451 2.430 0.489 214 3HD2 LEU 28 3HD2 LEU 28 -1.677 1.987 2.184 215 H ASN 29 H ASN 29 -3.504 6.089 4.285 216 HA ASN 29 HA ASN 29 -1.863 5.149 6.427 217 1HB ASN 29 1HB ASN 29 -3.767 7.483 6.366 218 2HB ASN 29 2HB ASN 29 -2.786 7.078 7.771 219 1HD2 ASN 29 1HD2 ASN 29 -2.754 9.444 6.057 220 2HD2 ASN 29 2HD2 ASN 29 -1.129 9.568 5.472 221 H ASP 30 H ASP 30 -5.321 5.014 5.897 222 HA ASP 30 HA ASP 30 -5.906 3.976 8.547 223 1HB ASP 30 1HB ASP 30 -7.509 5.138 6.869 224 2HB ASP 30 2HB ASP 30 -7.549 3.592 6.062 225 H LEU 31 H LEU 31 -5.089 2.722 5.441 226 HA LEU 31 HA LEU 31 -5.541 -0.074 5.984 227 1HB LEU 31 1HB LEU 31 -5.127 0.950 3.718 228 2HB LEU 31 2HB LEU 31 -3.488 1.221 4.201 229 HG LEU 31 HG LEU 31 -3.096 -1.197 4.429 230 1HD1 LEU 31 1HD1 LEU 31 -4.716 -2.793 3.545 231 2HD1 LEU 31 2HD1 LEU 31 -5.886 -1.489 3.339 232 3HD1 LEU 31 3HD1 LEU 31 -5.337 -1.938 4.955 233 1HD2 LEU 31 1HD2 LEU 31 -2.549 -0.085 2.334 234 2HD2 LEU 31 2HD2 LEU 31 -4.184 -0.364 1.743 235 3HD2 LEU 31 3HD2 LEU 31 -3.108 -1.731 2.035 236 H LYS 32 H LYS 32 -2.808 2.031 6.280 237 HA LYS 32 HA LYS 32 -0.995 0.190 7.437 238 1HB LYS 32 1HB LYS 32 -1.268 3.094 8.232 239 2HB LYS 32 2HB LYS 32 0.111 2.052 8.538 240 1HG LYS 32 1HG LYS 32 0.384 1.862 6.049 241 2HG LYS 32 2HG LYS 32 -0.897 3.039 5.914 242 1HD LYS 32 1HD LYS 32 1.274 4.173 5.754 243 2HD LYS 32 2HD LYS 32 0.374 4.692 7.176 244 1HE LYS 32 1HE LYS 32 1.720 3.207 8.581 245 2HE LYS 32 2HE LYS 32 2.592 2.642 7.158 246 1HZ LYS 32 1HZ LYS 32 3.444 4.921 6.865 247 2HZ LYS 32 2HZ LYS 32 3.844 4.291 8.362 248 3HZ LYS 32 3HZ LYS 32 2.603 5.415 8.237 249 H LYS 33 H LYS 33 -3.424 2.292 9.117 250 HA LYS 33 HA LYS 33 -2.884 1.438 11.634 251 1HB LYS 33 1HB LYS 33 -5.093 2.566 10.115 252 2HB LYS 33 2HB LYS 33 -5.456 2.191 11.748 253 1HG LYS 33 1HG LYS 33 -3.334 3.543 12.297 254 2HG LYS 33 2HG LYS 33 -3.431 4.077 10.621 255 1HD LYS 33 1HD LYS 33 -5.571 4.404 12.709 256 2HD LYS 33 2HD LYS 33 -4.374 5.591 12.171 257 1HE LYS 33 1HE LYS 33 -5.337 5.553 9.911 258 2HE LYS 33 2HE LYS 33 -6.472 4.302 10.422 259 1HZ LYS 33 1HZ LYS 33 -7.501 6.505 10.373 260 2HZ LYS 33 2HZ LYS 33 -6.397 7.069 11.493 261 3HZ LYS 33 3HZ LYS 33 -7.483 5.873 11.931 262 H LYS 34 H LYS 34 -5.020 -0.034 9.095 263 HA LYS 34 HA LYS 34 -6.149 -1.954 10.692 264 1HB LYS 34 1HB LYS 34 -5.594 -1.439 7.852 265 2HB LYS 34 2HB LYS 34 -6.491 -2.837 8.202 266 1HG LYS 34 1HG LYS 34 -7.212 0.059 8.559 267 2HG LYS 34 2HG LYS 34 -8.033 -1.158 7.593 268 1HD LYS 34 1HD LYS 34 -7.995 -1.013 10.611 269 2HD LYS 34 2HD LYS 34 -9.333 -0.547 9.573 270 1HE LYS 34 1HE LYS 34 -9.481 -2.875 8.767 271 2HE LYS 34 2HE LYS 34 -8.178 -3.316 9.868 272 1HZ LYS 34 1HZ LYS 34 -9.620 -2.576 11.728 273 2HZ LYS 34 2HZ LYS 34 -10.242 -3.857 10.867 274 3HZ LYS 34 3HZ LYS 34 -10.878 -2.321 10.624 275 H LEU 35 H LEU 35 -3.234 -1.818 8.635 276 HA LEU 35 HA LEU 35 -2.395 -4.505 8.939 277 1HB LEU 35 1HB LEU 35 -1.028 -1.930 8.280 278 2HB LEU 35 2HB LEU 35 -0.192 -3.433 8.146 279 HG LEU 35 HG LEU 35 -2.520 -2.435 6.513 280 1HD1 LEU 35 1HD1 LEU 35 0.298 -3.163 5.761 281 2HD1 LEU 35 2HD1 LEU 35 -0.370 -1.537 5.878 282 3HD1 LEU 35 3HD1 LEU 35 -0.964 -2.647 4.643 283 1HD2 LEU 35 1HD2 LEU 35 -1.228 -5.153 6.436 284 2HD2 LEU 35 2HD2 LEU 35 -2.366 -4.538 5.239 285 3HD2 LEU 35 3HD2 LEU 35 -2.894 -4.802 6.904 286 H GLU 36 H GLU 36 -1.683 -1.532 10.651 287 HA GLU 36 HA GLU 36 0.207 -2.487 12.380 288 1HB GLU 36 1HB GLU 36 -1.739 -0.269 12.405 289 2HB GLU 36 2HB GLU 36 -0.638 -0.395 13.728 290 1HG GLU 36 1HG GLU 36 -0.019 -0.016 10.806 291 2HG GLU 36 2HG GLU 36 0.255 1.138 12.112 292 H LEU 37 H LEU 37 -3.207 -2.678 12.476 293 HA LEU 37 HA LEU 37 -3.461 -3.545 15.171 294 1HB LEU 37 1HB LEU 37 -5.321 -2.746 13.766 295 2HB LEU 37 2HB LEU 37 -5.166 -4.181 12.788 296 HG LEU 37 HG LEU 37 -5.828 -5.589 14.691 297 1HD1 LEU 37 1HD1 LEU 37 -6.217 -2.982 16.138 298 2HD1 LEU 37 2HD1 LEU 37 -5.027 -4.225 16.522 299 3HD1 LEU 37 3HD1 LEU 37 -6.749 -4.559 16.714 300 1HD2 LEU 37 1HD2 LEU 37 -8.180 -4.925 14.762 301 2HD2 LEU 37 2HD2 LEU 37 -7.515 -4.799 13.133 302 3HD2 LEU 37 3HD2 LEU 37 -7.752 -3.345 14.102 303 H VAL 38 H VAL 38 -2.512 -5.092 12.248 304 HA VAL 38 HA VAL 38 -2.650 -7.789 13.349 305 HB VAL 38 HB VAL 38 -1.576 -6.825 10.683 306 1HG1 VAL 38 1HG1 VAL 38 -2.217 -9.614 11.615 307 2HG1 VAL 38 2HG1 VAL 38 -0.604 -8.962 11.327 308 3HG1 VAL 38 3HG1 VAL 38 -1.727 -9.171 9.980 309 1HG2 VAL 38 1HG2 VAL 38 -4.234 -8.069 11.360 310 2HG2 VAL 38 2HG2 VAL 38 -3.664 -7.689 9.733 311 3HG2 VAL 38 3HG2 VAL 38 -3.955 -6.391 10.895 312 H VAL 39 H VAL 39 -0.237 -5.404 12.351 313 HA VAL 39 HA VAL 39 1.982 -7.148 13.046 314 HB VAL 39 HB VAL 39 2.123 -4.223 12.280 315 1HG1 VAL 39 1HG1 VAL 39 4.173 -5.089 13.273 316 2HG1 VAL 39 2HG1 VAL 39 4.402 -4.777 11.553 317 3HG1 VAL 39 3HG1 VAL 39 4.176 -6.429 12.125 318 1HG2 VAL 39 1HG2 VAL 39 2.538 -4.987 9.981 319 2HG2 VAL 39 2HG2 VAL 39 0.933 -5.443 10.548 320 3HG2 VAL 39 3HG2 VAL 39 2.219 -6.648 10.483 321 H GLY 40 H GLY 40 0.255 -4.603 14.681 322 1HA GLY 40 1HA GLY 40 0.286 -4.264 16.969 323 2HA GLY 40 2HA GLY 40 1.710 -5.291 17.089 324 H THR 41 H THR 41 2.300 -3.189 14.669 325 HA THR 41 HA THR 41 4.081 -1.609 16.324 326 HB THR 41 HB THR 41 3.623 -1.376 13.329 327 HG1 THR 41 HG1 THR 41 4.678 -3.154 13.066 328 1HG2 THR 41 1HG2 THR 41 5.120 0.314 14.306 329 2HG2 THR 41 2HG2 THR 41 6.036 -0.807 13.302 330 3HG2 THR 41 3HG2 THR 41 6.082 -0.958 15.057 331 H THR 42 H THR 42 4.162 0.900 15.566 332 HA THR 42 HA THR 42 1.423 1.901 15.489 333 HB THR 42 HB THR 42 3.814 3.519 16.277 334 HG1 THR 42 HG1 THR 42 3.556 1.595 17.617 335 1HG2 THR 42 1HG2 THR 42 0.882 3.712 16.990 336 2HG2 THR 42 2HG2 THR 42 1.734 4.733 15.836 337 3HG2 THR 42 3HG2 THR 42 2.133 4.817 17.553 338 H VAL 43 H VAL 43 1.303 3.947 14.267 339 HA VAL 43 HA VAL 43 1.679 3.148 11.598 340 HB VAL 43 HB VAL 43 0.783 5.856 12.559 341 1HG1 VAL 43 1HG1 VAL 43 -0.346 6.053 10.384 342 2HG1 VAL 43 2HG1 VAL 43 0.371 4.521 9.882 343 3HG1 VAL 43 3HG1 VAL 43 1.403 5.915 10.198 344 1HG2 VAL 43 1HG2 VAL 43 -1.478 4.957 12.262 345 2HG2 VAL 43 2HG2 VAL 43 -0.561 4.066 13.478 346 3HG2 VAL 43 3HG2 VAL 43 -0.789 3.382 11.869 347 H ASP 44 H ASP 44 3.560 5.740 13.337 348 HA ASP 44 HA ASP 44 4.736 6.614 10.964 349 1HB ASP 44 1HB ASP 44 5.311 7.042 13.869 350 2HB ASP 44 2HB ASP 44 6.199 7.794 12.568 351 H SER 45 H SER 45 5.312 3.923 13.052 352 HA SER 45 HA SER 45 8.094 3.745 12.476 353 1HB SER 45 1HB SER 45 6.151 2.032 13.963 354 2HB SER 45 2HB SER 45 7.909 1.883 13.965 355 HG SER 45 HG SER 45 7.984 4.003 14.836 356 H MET 46 H MET 46 5.287 2.996 10.975 357 HA MET 46 HA MET 46 6.235 0.483 9.808 358 1HB MET 46 1HB MET 46 4.013 0.373 10.760 359 2HB MET 46 2HB MET 46 3.499 1.742 9.794 360 1HG MET 46 1HG MET 46 2.681 -0.405 8.928 361 2HG MET 46 2HG MET 46 3.689 0.467 7.776 362 1HE MET 46 1HE MET 46 3.551 -2.499 10.359 363 2HE MET 46 2HE MET 46 4.949 -1.576 10.914 364 3HE MET 46 3HE MET 46 5.173 -3.171 10.197 365 H ARG 47 H ARG 47 7.008 0.413 7.853 366 HA ARG 47 HA ARG 47 6.666 2.726 6.055 367 1HB ARG 47 1HB ARG 47 8.955 2.240 6.866 368 2HB ARG 47 2HB ARG 47 8.815 0.611 6.251 369 1HG ARG 47 1HG ARG 47 8.702 1.526 3.968 370 2HG ARG 47 2HG ARG 47 8.904 3.147 4.641 371 1HD ARG 47 1HD ARG 47 11.044 2.507 5.626 372 2HD ARG 47 2HD ARG 47 10.850 0.871 5.013 373 HE ARG 47 HE ARG 47 10.702 2.654 2.856 374 1HH1 ARG 47 1HH1 ARG 47 13.155 1.436 5.153 375 2HH1 ARG 47 2HH1 ARG 47 14.425 1.668 4.050 376 1HH2 ARG 47 1HH2 ARG 47 12.415 2.938 1.443 377 2HH2 ARG 47 2HH2 ARG 47 14.029 2.577 1.880 378 H ILE 48 H ILE 48 5.991 2.244 3.874 379 HA ILE 48 HA ILE 48 4.962 -0.510 3.529 380 HB ILE 48 HB ILE 48 3.592 2.063 2.708 381 1HG1 ILE 48 1HG1 ILE 48 3.470 1.708 5.145 382 2HG1 ILE 48 2HG1 ILE 48 1.893 1.552 4.393 383 1HG2 ILE 48 1HG2 ILE 48 3.131 0.267 1.147 384 2HG2 ILE 48 2HG2 ILE 48 1.689 0.640 2.095 385 3HG2 ILE 48 3HG2 ILE 48 2.650 -0.789 2.476 386 1HD1 ILE 48 1HD1 ILE 48 2.097 -0.892 4.523 387 2HD1 ILE 48 2HD1 ILE 48 2.206 -0.120 6.103 388 3HD1 ILE 48 3HD1 ILE 48 3.667 -0.705 5.309 389 H GLN 49 H GLN 49 5.620 -1.463 1.706 390 HA GLN 49 HA GLN 49 6.431 0.211 -0.530 391 1HB GLN 49 1HB GLN 49 7.395 -2.541 0.211 392 2HB GLN 49 2HB GLN 49 7.641 -1.877 -1.393 393 1HG GLN 49 1HG GLN 49 9.622 -1.566 -0.194 394 2HG GLN 49 2HG GLN 49 8.866 0.008 -0.327 395 1HE2 GLN 49 1HE2 GLN 49 9.943 0.857 1.417 396 2HE2 GLN 49 2HE2 GLN 49 9.615 0.337 3.030 397 H LEU 50 H LEU 50 5.613 -0.252 -2.617 398 HA LEU 50 HA LEU 50 3.376 -2.167 -2.622 399 1HB LEU 50 1HB LEU 50 2.767 0.255 -2.975 400 2HB LEU 50 2HB LEU 50 3.755 0.261 -4.410 401 HG LEU 50 HG LEU 50 1.216 -1.425 -4.107 402 1HD1 LEU 50 1HD1 LEU 50 1.640 1.193 -5.528 403 2HD1 LEU 50 2HD1 LEU 50 0.716 0.963 -4.048 404 3HD1 LEU 50 3HD1 LEU 50 0.171 0.221 -5.553 405 1HD2 LEU 50 1HD2 LEU 50 2.811 -0.698 -6.552 406 2HD2 LEU 50 2HD2 LEU 50 1.315 -1.618 -6.515 407 3HD2 LEU 50 3HD2 LEU 50 2.785 -2.291 -5.791 408 H PHE 51 H PHE 51 3.872 -3.969 -3.584 409 HA PHE 51 HA PHE 51 5.667 -3.876 -5.872 410 1HB PHE 51 1HB PHE 51 4.993 -6.149 -3.998 411 2HB PHE 51 2HB PHE 51 5.915 -6.348 -5.483 412 HD1 PHE 51 HD1 PHE 51 5.967 -5.142 -2.043 413 HD2 PHE 51 HD2 PHE 51 8.166 -5.446 -5.669 414 HE1 PHE 51 HE1 PHE 51 8.040 -4.613 -0.829 415 HE2 PHE 51 HE2 PHE 51 10.241 -4.917 -4.462 416 HZ PHE 51 HZ PHE 51 10.180 -4.502 -2.038 417 H ASP 52 H ASP 52 5.109 -5.088 -7.662 418 HA ASP 52 HA ASP 52 2.293 -4.960 -8.211 419 1HB ASP 52 1HB ASP 52 3.759 -4.120 -9.795 420 2HB ASP 52 2HB ASP 52 4.696 -5.629 -9.935 421 H GLY 53 H GLY 53 1.628 -6.786 -9.699 422 1HA GLY 53 1HA GLY 53 1.237 -9.091 -8.013 423 2HA GLY 53 2HA GLY 53 0.612 -8.915 -9.650 424 H ASP 54 H ASP 54 3.144 -8.332 -10.829 425 HA ASP 54 HA ASP 54 4.147 -11.018 -11.100 426 1HB ASP 54 1HB ASP 54 4.011 -9.619 -13.091 427 2HB ASP 54 2HB ASP 54 5.042 -8.403 -12.344 428 H ASP 55 H ASP 55 5.793 -7.929 -10.491 429 HA ASP 55 HA ASP 55 7.012 -8.503 -8.120 430 1HB ASP 55 1HB ASP 55 8.218 -10.259 -9.637 431 2HB ASP 55 2HB ASP 55 8.933 -8.886 -10.465 432 H GLN 56 H GLN 56 9.456 -6.995 -8.675 433 HA GLN 56 HA GLN 56 10.251 -5.063 -8.878 434 1HB GLN 56 1HB GLN 56 8.108 -4.415 -10.838 435 2HB GLN 56 2HB GLN 56 9.675 -3.673 -10.525 436 1HG GLN 56 1HG GLN 56 10.897 -5.499 -11.396 437 2HG GLN 56 2HG GLN 56 9.450 -6.498 -11.491 438 1HE2 GLN 56 1HE2 GLN 56 9.745 -6.905 -13.649 439 2HE2 GLN 56 2HE2 GLN 56 9.479 -5.749 -14.888 440 H LEU 57 H LEU 57 10.158 -3.167 -8.006 441 HA LEU 57 HA LEU 57 7.935 -2.586 -6.254 442 1HB LEU 57 1HB LEU 57 10.269 -2.408 -5.464 443 2HB LEU 57 2HB LEU 57 10.570 -1.161 -6.659 444 HG LEU 57 HG LEU 57 8.899 0.281 -5.511 445 1HD1 LEU 57 1HD1 LEU 57 7.555 -1.424 -4.445 446 2HD1 LEU 57 2HD1 LEU 57 8.196 -0.301 -3.246 447 3HD1 LEU 57 3HD1 LEU 57 8.924 -1.896 -3.436 448 1HD2 LEU 57 1HD2 LEU 57 11.178 -0.705 -3.806 449 2HD2 LEU 57 2HD2 LEU 57 10.321 0.822 -3.598 450 3HD2 LEU 57 3HD2 LEU 57 11.270 0.534 -5.058 451 H LYS 58 H LYS 58 6.364 -1.273 -6.842 452 HA LYS 58 HA LYS 58 6.591 0.279 -9.296 453 1HB LYS 58 1HB LYS 58 4.383 0.077 -7.284 454 2HB LYS 58 2HB LYS 58 4.245 0.871 -8.831 455 1HG LYS 58 1HG LYS 58 4.797 -2.098 -8.523 456 2HG LYS 58 2HG LYS 58 3.177 -1.443 -8.634 457 1HD LYS 58 1HD LYS 58 3.807 -2.297 -10.810 458 2HD LYS 58 2HD LYS 58 3.760 -0.551 -10.888 459 1HE LYS 58 1HE LYS 58 6.144 -0.418 -10.915 460 2HE LYS 58 2HE LYS 58 6.309 -2.150 -10.552 461 1HZ LYS 58 1HZ LYS 58 6.680 -1.629 -12.866 462 2HZ LYS 58 2HZ LYS 58 5.150 -0.946 -13.018 463 3HZ LYS 58 3HZ LYS 58 5.321 -2.602 -12.686 464 H GLY 59 H GLY 59 6.148 0.809 -5.879 465 1HA GLY 59 1HA GLY 59 7.736 3.115 -5.850 466 2HA GLY 59 2HA GLY 59 6.030 3.565 -5.869 467 H GLU 60 H GLU 60 7.422 4.292 -3.702 468 HA GLU 60 HA GLU 60 6.733 2.280 -1.738 469 1HB GLU 60 1HB GLU 60 9.093 3.024 -1.743 470 2HB GLU 60 2HB GLU 60 8.566 4.677 -1.506 471 1HG GLU 60 1HG GLU 60 7.735 4.168 0.678 472 2HG GLU 60 2HG GLU 60 8.024 2.444 0.432 473 H LEU 61 H LEU 61 5.199 2.682 -0.361 474 HA LEU 61 HA LEU 61 3.530 5.003 -0.902 475 1HB LEU 61 1HB LEU 61 2.987 2.466 0.647 476 2HB LEU 61 2HB LEU 61 1.807 3.704 0.275 477 HG LEU 61 HG LEU 61 3.196 1.943 -1.735 478 1HD1 LEU 61 1HD1 LEU 61 0.352 1.978 -0.757 479 2HD1 LEU 61 2HD1 LEU 61 1.559 0.751 -0.389 480 3HD1 LEU 61 3HD1 LEU 61 0.978 0.949 -2.042 481 1HD2 LEU 61 1HD2 LEU 61 1.048 4.034 -2.117 482 2HD2 LEU 61 2HD2 LEU 61 1.629 2.926 -3.355 483 3HD2 LEU 61 3HD2 LEU 61 2.718 4.135 -2.684 484 H THR 62 H THR 62 2.208 4.599 1.669 485 HA THR 62 HA THR 62 2.221 5.081 3.837 486 HB THR 62 HB THR 62 4.825 4.674 4.051 487 HG1 THR 62 HG1 THR 62 3.856 6.753 5.679 488 1HG2 THR 62 1HG2 THR 62 5.569 6.662 2.782 489 2HG2 THR 62 2HG2 THR 62 6.176 6.711 4.436 490 3HG2 THR 62 3HG2 THR 62 4.795 7.714 3.967 491 H ASP 63 H ASP 63 2.053 6.746 1.258 492 HA ASP 63 HA ASP 63 1.975 9.464 1.869 493 1HB ASP 63 1HB ASP 63 0.126 7.978 -0.028 494 2HB ASP 63 2HB ASP 63 0.608 9.655 -0.101 495 H GLY 64 H GLY 64 -0.891 7.563 1.213 496 1HA GLY 64 1HA GLY 64 -2.964 7.434 2.053 497 2HA GLY 64 2HA GLY 64 -2.313 7.574 3.644 498 H ALA 65 H ALA 65 -1.708 10.341 1.690 499 HA ALA 65 HA ALA 65 -3.715 11.818 3.144 500 1HB ALA 65 1HB ALA 65 -2.800 13.784 1.981 501 2HB ALA 65 2HB ALA 65 -1.805 12.730 0.979 502 3HB ALA 65 3HB ALA 65 -1.514 12.825 2.713 503 H LYS 66 H LYS 66 -3.633 9.970 0.478 504 HA LYS 66 HA LYS 66 -6.064 11.126 -0.676 505 1HB LYS 66 1HB LYS 66 -5.204 10.377 -2.901 506 2HB LYS 66 2HB LYS 66 -4.274 11.692 -2.186 507 1HG LYS 66 1HG LYS 66 -2.551 10.141 -1.482 508 2HG LYS 66 2HG LYS 66 -3.498 8.786 -2.076 509 1HD LYS 66 1HD LYS 66 -1.696 9.409 -3.604 510 2HD LYS 66 2HD LYS 66 -3.279 9.587 -4.358 511 1HE LYS 66 1HE LYS 66 -3.167 12.025 -3.880 512 2HE LYS 66 2HE LYS 66 -1.543 11.789 -3.232 513 1HZ LYS 66 1HZ LYS 66 -1.525 12.525 -5.539 514 2HZ LYS 66 2HZ LYS 66 -2.421 11.156 -5.970 515 3HZ LYS 66 3HZ LYS 66 -0.852 10.979 -5.400 516 H SER 67 H SER 67 -6.819 9.099 -2.394 517 HA SER 67 HA SER 67 -7.220 7.016 -0.512 518 1HB SER 67 1HB SER 67 -8.754 6.166 -2.222 519 2HB SER 67 2HB SER 67 -9.157 7.779 -1.659 520 HG SER 67 HG SER 67 -8.627 8.594 -3.587 521 H LEU 68 H LEU 68 -7.190 4.944 -1.264 522 HA LEU 68 HA LEU 68 -4.662 4.178 -2.265 523 1HB LEU 68 1HB LEU 68 -7.147 2.723 -1.513 524 2HB LEU 68 2HB LEU 68 -5.733 1.876 -2.117 525 HG LEU 68 HG LEU 68 -5.567 3.750 0.241 526 1HD1 LEU 68 1HD1 LEU 68 -7.162 1.982 0.769 527 2HD1 LEU 68 2HD1 LEU 68 -5.654 1.808 1.666 528 3HD1 LEU 68 3HD1 LEU 68 -5.978 0.777 0.270 529 1HD2 LEU 68 1HD2 LEU 68 -3.491 3.236 -0.883 530 2HD2 LEU 68 2HD2 LEU 68 -3.856 1.520 -0.779 531 3HD2 LEU 68 3HD2 LEU 68 -3.560 2.435 0.688 532 H LYS 69 H LYS 69 -7.697 4.692 -3.633 533 HA LYS 69 HA LYS 69 -7.342 3.265 -6.058 534 1HB LYS 69 1HB LYS 69 -9.578 4.043 -5.454 535 2HB LYS 69 2HB LYS 69 -9.007 5.708 -5.482 536 1HG LYS 69 1HG LYS 69 -8.684 5.639 -7.843 537 2HG LYS 69 2HG LYS 69 -9.020 3.920 -7.889 538 1HD LYS 69 1HD LYS 69 -10.898 5.225 -8.733 539 2HD LYS 69 2HD LYS 69 -11.337 4.355 -7.263 540 1HE LYS 69 1HE LYS 69 -10.509 7.256 -7.260 541 2HE LYS 69 2HE LYS 69 -12.178 6.765 -7.537 542 1HZ LYS 69 1HZ LYS 69 -10.596 6.206 -5.062 543 2HZ LYS 69 2HZ LYS 69 -12.186 5.707 -5.402 544 3HZ LYS 69 3HZ LYS 69 -11.839 7.339 -5.260 545 H ASP 70 H ASP 70 -6.730 6.617 -5.159 546 HA ASP 70 HA ASP 70 -5.709 7.434 -7.689 547 1HB ASP 70 1HB ASP 70 -6.485 8.931 -5.814 548 2HB ASP 70 2HB ASP 70 -4.964 8.605 -5.024 549 H LEU 71 H LEU 71 -4.329 6.020 -4.904 550 HA LEU 71 HA LEU 71 -1.578 6.258 -5.697 551 1HB LEU 71 1HB LEU 71 -2.890 4.451 -3.679 552 2HB LEU 71 2HB LEU 71 -1.165 4.471 -3.964 553 HG LEU 71 HG LEU 71 -2.786 6.821 -2.914 554 1HD1 LEU 71 1HD1 LEU 71 -2.655 5.027 -1.314 555 2HD1 LEU 71 2HD1 LEU 71 -1.639 6.388 -0.828 556 3HD1 LEU 71 3HD1 LEU 71 -0.906 4.941 -1.521 557 1HD2 LEU 71 1HD2 LEU 71 -0.817 7.511 -4.220 558 2HD2 LEU 71 2HD2 LEU 71 0.189 6.433 -3.258 559 3HD2 LEU 71 3HD2 LEU 71 -0.590 7.817 -2.499 560 H GLY 72 H GLY 72 -4.061 4.251 -6.755 561 1HA GLY 72 1HA GLY 72 -3.948 2.757 -8.533 562 2HA GLY 72 2HA GLY 72 -2.192 2.806 -8.434 563 H VAL 73 H VAL 73 -3.919 2.261 -5.529 564 HA VAL 73 HA VAL 73 -2.839 -0.406 -5.459 565 HB VAL 73 HB VAL 73 -4.316 1.133 -3.302 566 1HG1 VAL 73 1HG1 VAL 73 -4.462 -1.279 -2.968 567 2HG1 VAL 73 2HG1 VAL 73 -3.403 -0.554 -1.758 568 3HG1 VAL 73 3HG1 VAL 73 -2.714 -1.422 -3.132 569 1HG2 VAL 73 1HG2 VAL 73 -2.216 2.211 -3.880 570 2HG2 VAL 73 2HG2 VAL 73 -1.361 0.680 -3.677 571 3HG2 VAL 73 3HG2 VAL 73 -2.100 1.466 -2.285 572 H ARG 74 H ARG 74 -4.090 -1.386 -6.906 573 HA ARG 74 HA ARG 74 -6.935 -1.692 -6.271 574 1HB ARG 74 1HB ARG 74 -5.437 -2.262 -8.835 575 2HB ARG 74 2HB ARG 74 -7.135 -2.615 -8.563 576 1HG ARG 74 1HG ARG 74 -7.601 -0.251 -8.287 577 2HG ARG 74 2HG ARG 74 -5.891 0.126 -8.515 578 1HD ARG 74 1HD ARG 74 -5.965 -0.789 -10.758 579 2HD ARG 74 2HD ARG 74 -7.652 -1.256 -10.534 580 HE ARG 74 HE ARG 74 -7.717 1.359 -10.044 581 1HH1 ARG 74 1HH1 ARG 74 -6.319 -0.458 -12.716 582 2HH1 ARG 74 2HH1 ARG 74 -6.589 0.750 -13.889 583 1HH2 ARG 74 1HH2 ARG 74 -8.117 3.027 -11.671 584 2HH2 ARG 74 2HH2 ARG 74 -7.623 2.756 -13.283 585 H ASP 75 H ASP 75 -7.470 -4.080 -7.418 586 HA ASP 75 HA ASP 75 -6.389 -5.841 -5.477 587 1HB ASP 75 1HB ASP 75 -7.760 -7.549 -6.520 588 2HB ASP 75 2HB ASP 75 -8.674 -6.091 -6.187 589 H GLY 76 H GLY 76 -5.279 -7.593 -5.802 590 1HA GLY 76 1HA GLY 76 -3.887 -9.146 -7.023 591 2HA GLY 76 2HA GLY 76 -3.944 -8.046 -8.391 592 H TYR 77 H TYR 77 -3.260 -5.931 -6.154 593 HA TYR 77 HA TYR 77 -0.422 -6.076 -6.648 594 1HB TYR 77 1HB TYR 77 -2.132 -4.022 -5.259 595 2HB TYR 77 2HB TYR 77 -0.373 -3.922 -5.310 596 HD1 TYR 77 HD1 TYR 77 -3.453 -3.726 -7.327 597 HD2 TYR 77 HD2 TYR 77 0.771 -3.363 -7.326 598 HE1 TYR 77 HE1 TYR 77 -3.547 -2.622 -9.529 599 HE2 TYR 77 HE2 TYR 77 0.696 -2.261 -9.502 600 HH TYR 77 HH TYR 77 -0.774 -2.108 -11.432 601 H ARG 78 H ARG 78 1.191 -5.881 -4.973 602 HA ARG 78 HA ARG 78 0.375 -7.483 -2.651 603 1HB ARG 78 1HB ARG 78 1.958 -8.428 -4.486 604 2HB ARG 78 2HB ARG 78 3.145 -7.331 -3.808 605 1HG ARG 78 1HG ARG 78 2.882 -8.447 -1.621 606 2HG ARG 78 2HG ARG 78 1.756 -9.584 -2.369 607 1HD ARG 78 1HD ARG 78 3.659 -10.015 -4.051 608 2HD ARG 78 2HD ARG 78 4.690 -9.238 -2.853 609 HE ARG 78 HE ARG 78 2.993 -11.498 -2.125 610 1HH1 ARG 78 1HH1 ARG 78 6.235 -10.106 -2.397 611 2HH1 ARG 78 2HH1 ARG 78 7.043 -11.472 -1.793 612 1HH2 ARG 78 1HH2 ARG 78 4.100 -13.400 -1.291 613 2HH2 ARG 78 2HH2 ARG 78 5.787 -13.402 -1.128 614 H ILE 79 H ILE 79 0.580 -6.381 -0.819 615 HA ILE 79 HA ILE 79 2.225 -3.960 -0.887 616 HB ILE 79 HB ILE 79 -0.141 -4.599 0.887 617 1HG1 ILE 79 1HG1 ILE 79 -0.817 -3.967 -1.368 618 2HG1 ILE 79 2HG1 ILE 79 -1.202 -2.675 -0.235 619 1HG2 ILE 79 1HG2 ILE 79 1.491 -3.350 2.171 620 2HG2 ILE 79 2HG2 ILE 79 0.092 -2.338 1.810 621 3HG2 ILE 79 3HG2 ILE 79 1.587 -2.130 0.900 622 1HD1 ILE 79 1HD1 ILE 79 1.128 -2.727 -2.141 623 2HD1 ILE 79 2HD1 ILE 79 0.775 -1.443 -0.992 624 3HD1 ILE 79 3HD1 ILE 79 -0.349 -1.780 -2.308 625 H HIS 80 H HIS 80 3.944 -3.880 0.214 626 HA HIS 80 HA HIS 80 4.410 -5.941 2.220 627 1HB HIS 80 1HB HIS 80 6.017 -6.048 0.419 628 2HB HIS 80 2HB HIS 80 6.330 -4.323 0.545 629 HD1 HIS 80 HD1 HIS 80 6.969 -7.555 2.392 630 HD2 HIS 80 HD2 HIS 80 8.190 -3.594 2.350 631 HE1 HIS 80 HE1 HIS 80 8.746 -7.461 4.088 632 HE2 HIS 80 HE2 HIS 80 9.795 -5.163 3.682 633 H ALA 81 H ALA 81 4.320 -5.323 4.220 634 HA ALA 81 HA ALA 81 4.818 -2.517 4.892 635 1HB ALA 81 1HB ALA 81 3.663 -3.084 7.008 636 2HB ALA 81 2HB ALA 81 3.423 -4.732 6.414 637 3HB ALA 81 3HB ALA 81 2.649 -3.378 5.599 638 H VAL 82 H VAL 82 6.484 -2.032 6.297 639 HA VAL 82 HA VAL 82 7.844 -4.300 7.473 640 HB VAL 82 HB VAL 82 8.960 -3.837 5.351 641 1HG1 VAL 82 1HG1 VAL 82 9.615 -1.146 6.471 642 2HG1 VAL 82 2HG1 VAL 82 8.545 -1.484 5.104 643 3HG1 VAL 82 3HG1 VAL 82 10.277 -1.811 4.976 644 1HG2 VAL 82 1HG2 VAL 82 11.281 -3.666 6.187 645 2HG2 VAL 82 2HG2 VAL 82 10.294 -4.771 7.143 646 3HG2 VAL 82 3HG2 VAL 82 10.649 -3.156 7.751 647 H ASP 83 H ASP 83 8.474 -4.002 9.426 648 HA ASP 83 HA ASP 83 7.909 -1.556 10.809 649 1HB ASP 83 1HB ASP 83 7.386 -3.622 11.917 650 2HB ASP 83 2HB ASP 83 9.022 -4.215 11.669 651 H VAL 84 H VAL 84 9.213 -0.023 11.162 652 HA VAL 84 HA VAL 84 12.007 -0.300 10.378 653 HB VAL 84 HB VAL 84 10.427 2.185 10.994 654 1HG1 VAL 84 1HG1 VAL 84 12.238 3.377 9.840 655 2HG1 VAL 84 2HG1 VAL 84 13.104 1.855 9.653 656 3HG1 VAL 84 3HG1 VAL 84 12.822 2.513 11.263 657 1HG2 VAL 84 1HG2 VAL 84 10.354 2.523 8.557 658 2HG2 VAL 84 2HG2 VAL 84 9.495 1.073 9.069 659 3HG2 VAL 84 3HG2 VAL 84 11.094 0.939 8.336 660 H THR 85 H THR 85 10.021 0.181 13.212 661 HA THR 85 HA THR 85 12.251 1.332 14.621 662 HB THR 85 HB THR 85 9.942 2.216 14.965 663 HG1 THR 85 HG1 THR 85 11.738 2.238 16.611 664 1HG2 THR 85 1HG2 THR 85 9.493 -0.360 16.488 665 2HG2 THR 85 2HG2 THR 85 8.719 0.087 14.973 666 3HG2 THR 85 3HG2 THR 85 8.378 1.010 16.435 667 H GLY 86 H GLY 86 10.512 -1.686 14.469 668 1HA GLY 86 1HA GLY 86 12.258 -2.829 16.537 669 2HA GLY 86 2HA GLY 86 10.913 -3.651 15.747 670 H GLY 87 H GLY 87 12.308 -2.219 13.342 671 1HA GLY 87 1HA GLY 87 13.729 -2.762 11.626 672 2HA GLY 87 2HA GLY 87 14.756 -3.504 12.841 673 H ASN 88 H ASN 88 15.167 -4.892 10.962 674 HA ASN 88 HA ASN 88 13.117 -6.928 10.623 675 1HB ASN 88 1HB ASN 88 15.580 -6.294 9.017 676 2HB ASN 88 2HB ASN 88 14.681 -7.788 8.797 677 1HD2 ASN 88 1HD2 ASN 88 12.665 -7.725 7.857 678 2HD2 ASN 88 2HD2 ASN 88 12.062 -6.364 7.015 679 H GLU 89 H GLU 89 13.254 -8.824 11.511 680 HA GLU 89 HA GLU 89 15.751 -9.570 12.803 681 1HB GLU 89 1HB GLU 89 14.242 -11.193 14.111 682 2HB GLU 89 2HB GLU 89 14.090 -9.486 14.477 683 1HG GLU 89 1HG GLU 89 11.908 -10.452 14.456 684 2HG GLU 89 2HG GLU 89 12.062 -9.418 13.049 685 H ASP 90 H ASP 90 14.579 -9.904 10.013 686 HA ASP 90 HA ASP 90 15.046 -12.771 9.678 687 1HB ASP 90 1HB ASP 90 12.993 -11.877 8.644 688 2HB ASP 90 2HB ASP 90 13.957 -10.729 7.729 Start of MODEL 16 1 H MET 1 H MET 1 -20.836 0.737 -2.689 2 HA MET 1 HA MET 1 -21.302 1.270 -5.539 3 1HB MET 1 1HB MET 1 -21.300 3.302 -4.119 4 2HB MET 1 2HB MET 1 -19.770 2.810 -3.420 5 1HG MET 1 1HG MET 1 -18.681 3.086 -5.574 6 2HG MET 1 2HG MET 1 -20.221 3.519 -6.313 7 1HE MET 1 1HE MET 1 -21.067 6.922 -4.559 8 2HE MET 1 2HE MET 1 -21.555 5.335 -3.990 9 3HE MET 1 3HE MET 1 -21.602 5.704 -5.715 10 H THR 2 H THR 2 -20.069 -0.103 -6.644 11 HA THR 2 HA THR 2 -18.082 -1.473 -5.102 12 HB THR 2 HB THR 2 -19.676 -2.911 -6.162 13 HG1 THR 2 HG1 THR 2 -17.877 -3.983 -6.089 14 1HG2 THR 2 1HG2 THR 2 -19.851 -3.145 -8.607 15 2HG2 THR 2 2HG2 THR 2 -18.730 -1.802 -8.811 16 3HG2 THR 2 3HG2 THR 2 -20.316 -1.525 -8.085 17 H GLU 3 H GLU 3 -16.213 -0.796 -5.032 18 HA GLU 3 HA GLU 3 -14.517 -1.024 -7.234 19 1HB GLU 3 1HB GLU 3 -14.700 1.684 -5.917 20 2HB GLU 3 2HB GLU 3 -13.195 1.109 -6.614 21 1HG GLU 3 1HG GLU 3 -14.350 0.828 -8.755 22 2HG GLU 3 2HG GLU 3 -15.779 1.507 -7.967 23 H VAL 4 H VAL 4 -13.433 -2.411 -6.457 24 HA VAL 4 HA VAL 4 -12.133 -2.127 -3.857 25 HB VAL 4 HB VAL 4 -12.766 -4.548 -3.289 26 1HG1 VAL 4 1HG1 VAL 4 -14.917 -3.923 -2.294 27 2HG1 VAL 4 2HG1 VAL 4 -14.971 -2.471 -3.299 28 3HG1 VAL 4 3HG1 VAL 4 -13.724 -2.652 -2.064 29 1HG2 VAL 4 1HG2 VAL 4 -14.870 -3.962 -5.361 30 2HG2 VAL 4 2HG2 VAL 4 -14.931 -5.299 -4.233 31 3HG2 VAL 4 3HG2 VAL 4 -13.637 -5.223 -5.444 32 H TYR 5 H TYR 5 -10.282 -3.073 -3.662 33 HA TYR 5 HA TYR 5 -9.255 -4.608 -5.985 34 1HB TYR 5 1HB TYR 5 -7.710 -2.825 -4.104 35 2HB TYR 5 2HB TYR 5 -7.039 -3.741 -5.447 36 HD1 TYR 5 HD1 TYR 5 -8.794 -3.270 -7.637 37 HD2 TYR 5 HD2 TYR 5 -7.597 -0.577 -4.583 38 HE1 TYR 5 HE1 TYR 5 -9.191 -1.397 -9.150 39 HE2 TYR 5 HE2 TYR 5 -7.997 1.310 -6.100 40 HH TYR 5 HH TYR 5 -9.723 0.980 -8.953 41 H ASP 6 H ASP 6 -8.595 -6.549 -5.678 42 HA ASP 6 HA ASP 6 -8.422 -7.705 -3.036 43 1HB ASP 6 1HB ASP 6 -9.328 -8.941 -4.920 44 2HB ASP 6 2HB ASP 6 -7.759 -8.837 -5.734 45 H LEU 7 H LEU 7 -6.715 -7.712 -1.926 46 HA LEU 7 HA LEU 7 -4.112 -7.132 -3.149 47 1HB LEU 7 1HB LEU 7 -5.278 -6.129 -0.583 48 2HB LEU 7 2HB LEU 7 -3.649 -5.847 -1.145 49 HG LEU 7 HG LEU 7 -6.172 -4.847 -2.476 50 1HD1 LEU 7 1HD1 LEU 7 -5.735 -3.719 -0.368 51 2HD1 LEU 7 2HD1 LEU 7 -5.440 -2.643 -1.734 52 3HD1 LEU 7 3HD1 LEU 7 -4.081 -3.378 -0.879 53 1HD2 LEU 7 1HD2 LEU 7 -4.658 -3.536 -3.877 54 2HD2 LEU 7 2HD2 LEU 7 -4.390 -5.262 -4.089 55 3HD2 LEU 7 3HD2 LEU 7 -3.271 -4.309 -3.114 56 H GLU 8 H GLU 8 -2.354 -8.040 -2.161 57 HA GLU 8 HA GLU 8 -2.845 -10.097 -0.094 58 1HB GLU 8 1HB GLU 8 -1.875 -10.932 -2.205 59 2HB GLU 8 2HB GLU 8 -0.534 -9.797 -2.041 60 1HG GLU 8 1HG GLU 8 0.071 -10.934 0.083 61 2HG GLU 8 2HG GLU 8 -1.201 -12.109 -0.226 62 H ILE 9 H ILE 9 -2.211 -9.555 1.790 63 HA ILE 9 HA ILE 9 -0.503 -7.214 2.129 64 HB ILE 9 HB ILE 9 -2.106 -8.741 4.175 65 1HG1 ILE 9 1HG1 ILE 9 -3.635 -7.715 2.565 66 2HG1 ILE 9 2HG1 ILE 9 -3.736 -6.875 4.105 67 1HG2 ILE 9 1HG2 ILE 9 -0.268 -7.541 5.180 68 2HG2 ILE 9 2HG2 ILE 9 -1.792 -6.771 5.615 69 3HG2 ILE 9 3HG2 ILE 9 -0.763 -6.049 4.375 70 1HD1 ILE 9 1HD1 ILE 9 -2.318 -5.091 3.196 71 2HD1 ILE 9 2HD1 ILE 9 -3.798 -5.311 2.264 72 3HD1 ILE 9 3HD1 ILE 9 -2.268 -5.937 1.647 73 H THR 10 H THR 10 1.453 -7.427 2.859 74 HA THR 10 HA THR 10 2.270 -9.892 4.169 75 HB THR 10 HB THR 10 4.478 -9.674 3.024 76 HG1 THR 10 HG1 THR 10 3.007 -7.796 1.507 77 1HG2 THR 10 1HG2 THR 10 2.926 -11.390 2.378 78 2HG2 THR 10 2HG2 THR 10 3.777 -10.780 0.955 79 3HG2 THR 10 3HG2 THR 10 2.101 -10.284 1.270 80 H THR 11 H THR 11 4.277 -9.601 5.384 81 HA THR 11 HA THR 11 5.150 -6.926 5.935 82 HB THR 11 HB THR 11 4.379 -8.733 8.172 83 HG1 THR 11 HG1 THR 11 2.669 -7.285 6.602 84 1HG2 THR 11 1HG2 THR 11 4.843 -5.743 8.076 85 2HG2 THR 11 2HG2 THR 11 5.903 -6.964 8.777 86 3HG2 THR 11 3HG2 THR 11 4.345 -6.618 9.520 87 H ASN 12 H ASN 12 6.961 -7.217 7.361 88 HA ASN 12 HA ASN 12 8.644 -9.357 6.367 89 1HB ASN 12 1HB ASN 12 10.462 -8.100 7.361 90 2HB ASN 12 2HB ASN 12 9.471 -7.044 6.363 91 1HD2 ASN 12 1HD2 ASN 12 11.272 -6.357 8.511 92 2HD2 ASN 12 2HD2 ASN 12 10.358 -5.584 9.742 93 H ALA 13 H ALA 13 6.889 -8.562 9.158 94 HA ALA 13 HA ALA 13 8.447 -10.153 10.959 95 1HB ALA 13 1HB ALA 13 5.807 -8.766 11.392 96 2HB ALA 13 2HB ALA 13 7.398 -8.087 11.727 97 3HB ALA 13 3HB ALA 13 6.819 -9.470 12.654 98 H THR 14 H THR 14 5.638 -10.506 8.958 99 HA THR 14 HA THR 14 4.804 -12.926 10.300 100 HB THR 14 HB THR 14 2.850 -12.641 8.687 101 HG1 THR 14 HG1 THR 14 3.196 -11.165 7.221 102 1HG2 THR 14 1HG2 THR 14 2.715 -11.987 11.066 103 2HG2 THR 14 2HG2 THR 14 1.819 -10.861 10.049 104 3HG2 THR 14 3HG2 THR 14 3.411 -10.418 10.667 105 H ASP 15 H ASP 15 4.399 -14.815 9.036 106 HA ASP 15 HA ASP 15 6.028 -15.016 6.575 107 1HB ASP 15 1HB ASP 15 5.222 -17.154 8.561 108 2HB ASP 15 2HB ASP 15 5.943 -17.505 7.002 109 H PHE 16 H PHE 16 2.952 -14.780 7.646 110 HA PHE 16 HA PHE 16 1.804 -16.514 5.602 111 1HB PHE 16 1HB PHE 16 0.927 -16.789 7.861 112 2HB PHE 16 2HB PHE 16 0.574 -15.069 7.934 113 HD1 PHE 16 HD1 PHE 16 -1.489 -14.235 7.204 114 HD2 PHE 16 HD2 PHE 16 -0.369 -18.218 6.227 115 HE1 PHE 16 HE1 PHE 16 -3.768 -14.668 6.387 116 HE2 PHE 16 HE2 PHE 16 -2.645 -18.660 5.406 117 HZ PHE 16 HZ PHE 16 -4.347 -16.886 5.486 118 HA PRO 17 HA PRO 17 0.913 -12.686 3.272 119 1HB PRO 17 1HB PRO 17 -0.121 -14.493 1.253 120 2HB PRO 17 2HB PRO 17 1.292 -13.439 1.146 121 1HG PRO 17 1HG PRO 17 1.456 -16.171 1.206 122 2HG PRO 17 2HG PRO 17 2.739 -15.103 1.788 123 1HD PRO 17 1HD PRO 17 0.687 -16.623 3.364 124 2HD PRO 17 2HD PRO 17 2.398 -16.283 3.720 125 H MET 18 H MET 18 -0.973 -11.668 3.488 126 HA MET 18 HA MET 18 -3.344 -13.337 4.073 127 1HB MET 18 1HB MET 18 -2.444 -12.130 6.001 128 2HB MET 18 2HB MET 18 -2.543 -10.621 5.120 129 1HG MET 18 1HG MET 18 -4.986 -10.822 5.082 130 2HG MET 18 2HG MET 18 -4.860 -12.330 5.996 131 1HE MET 18 1HE MET 18 -6.210 -9.791 8.692 132 2HE MET 18 2HE MET 18 -6.467 -11.351 7.912 133 3HE MET 18 3HE MET 18 -6.624 -9.864 6.976 134 H GLU 19 H GLU 19 -4.918 -13.121 2.571 135 HA GLU 19 HA GLU 19 -4.769 -10.819 0.800 136 1HB GLU 19 1HB GLU 19 -6.292 -13.395 0.512 137 2HB GLU 19 2HB GLU 19 -6.329 -12.077 -0.644 138 1HG GLU 19 1HG GLU 19 -3.933 -12.332 -1.027 139 2HG GLU 19 2HG GLU 19 -3.890 -13.656 0.133 140 H LYS 20 H LYS 20 -6.233 -9.289 0.702 141 HA LYS 20 HA LYS 20 -8.791 -9.625 1.895 142 1HB LYS 20 1HB LYS 20 -6.659 -7.754 2.789 143 2HB LYS 20 2HB LYS 20 -8.355 -7.322 2.910 144 1HG LYS 20 1HG LYS 20 -7.162 -9.820 4.116 145 2HG LYS 20 2HG LYS 20 -7.339 -8.306 5.005 146 1HD LYS 20 1HD LYS 20 -9.742 -8.373 4.739 147 2HD LYS 20 2HD LYS 20 -9.635 -9.782 3.691 148 1HE LYS 20 1HE LYS 20 -8.790 -9.718 6.585 149 2HE LYS 20 2HE LYS 20 -10.339 -10.312 6.002 150 1HZ LYS 20 1HZ LYS 20 -8.747 -12.127 6.341 151 2HZ LYS 20 2HZ LYS 20 -7.706 -11.469 5.182 152 3HZ LYS 20 3HZ LYS 20 -9.214 -11.997 4.742 153 H LYS 21 H LYS 21 -10.262 -8.151 1.097 154 HA LYS 21 HA LYS 21 -9.442 -6.860 -1.395 155 1HB LYS 21 1HB LYS 21 -10.976 -8.870 -1.410 156 2HB LYS 21 2HB LYS 21 -12.125 -7.916 -0.503 157 1HG LYS 21 1HG LYS 21 -12.381 -6.407 -2.379 158 2HG LYS 21 2HG LYS 21 -11.170 -7.319 -3.298 159 1HD LYS 21 1HD LYS 21 -12.576 -9.347 -3.059 160 2HD LYS 21 2HD LYS 21 -13.803 -8.373 -2.259 161 1HE LYS 21 1HE LYS 21 -13.989 -7.001 -4.304 162 2HE LYS 21 2HE LYS 21 -12.810 -8.048 -5.087 163 1HZ LYS 21 1HZ LYS 21 -15.078 -8.664 -5.671 164 2HZ LYS 21 2HZ LYS 21 -15.462 -8.894 -4.052 165 3HZ LYS 21 3HZ LYS 21 -14.347 -9.910 -4.796 166 H TYR 22 H TYR 22 -9.438 -4.685 -1.208 167 HA TYR 22 HA TYR 22 -11.236 -3.468 0.741 168 1HB TYR 22 1HB TYR 22 -8.316 -2.894 0.353 169 2HB TYR 22 2HB TYR 22 -9.361 -1.676 1.054 170 HD1 TYR 22 HD1 TYR 22 -7.476 -4.678 1.651 171 HD2 TYR 22 HD2 TYR 22 -10.603 -2.228 3.162 172 HE1 TYR 22 HE1 TYR 22 -7.207 -5.691 3.883 173 HE2 TYR 22 HE2 TYR 22 -10.333 -3.237 5.384 174 HH TYR 22 HH TYR 22 -9.493 -5.295 6.326 175 HA PRO 23 HA PRO 23 -12.834 -0.853 -2.392 176 1HB PRO 23 1HB PRO 23 -12.721 1.271 -0.329 177 2HB PRO 23 2HB PRO 23 -14.087 0.719 -1.301 178 1HG PRO 23 1HG PRO 23 -13.936 0.053 1.254 179 2HG PRO 23 2HG PRO 23 -14.467 -1.109 0.023 180 1HD PRO 23 1HD PRO 23 -11.830 -0.907 1.408 181 2HD PRO 23 2HD PRO 23 -12.792 -2.340 0.976 182 H ALA 24 H ALA 24 -12.174 0.491 -3.851 183 HA ALA 24 HA ALA 24 -9.522 1.325 -4.153 184 1HB ALA 24 1HB ALA 24 -10.333 2.613 -6.066 185 2HB ALA 24 2HB ALA 24 -11.977 2.463 -5.464 186 3HB ALA 24 3HB ALA 24 -11.100 1.030 -5.999 187 H GLY 25 H GLY 25 -12.190 2.915 -2.824 188 1HA GLY 25 1HA GLY 25 -10.780 5.468 -2.558 189 2HA GLY 25 2HA GLY 25 -12.465 5.191 -2.172 190 H MET 26 H MET 26 -10.552 2.754 -0.819 191 HA MET 26 HA MET 26 -11.006 3.791 1.819 192 1HB MET 26 1HB MET 26 -11.105 1.384 1.163 193 2HB MET 26 2HB MET 26 -9.347 1.383 1.009 194 1HG MET 26 1HG MET 26 -10.025 0.426 3.116 195 2HG MET 26 2HG MET 26 -9.230 1.979 3.413 196 1HE MET 26 1HE MET 26 -12.106 1.725 6.149 197 2HE MET 26 2HE MET 26 -10.364 1.859 5.905 198 3HE MET 26 3HE MET 26 -11.204 0.369 5.470 199 H SER 27 H SER 27 -9.209 4.086 3.388 200 HA SER 27 HA SER 27 -7.092 5.583 2.092 201 1HB SER 27 1HB SER 27 -6.610 6.330 4.394 202 2HB SER 27 2HB SER 27 -8.249 6.711 3.894 203 HG SER 27 HG SER 27 -8.761 5.711 5.667 204 H LEU 28 H LEU 28 -4.974 5.173 2.357 205 HA LEU 28 HA LEU 28 -4.193 2.502 2.899 206 1HB LEU 28 1HB LEU 28 -3.165 4.227 1.376 207 2HB LEU 28 2HB LEU 28 -2.528 4.980 2.779 208 HG LEU 28 HG LEU 28 -0.874 3.536 1.469 209 1HD1 LEU 28 1HD1 LEU 28 -1.244 2.979 4.387 210 2HD1 LEU 28 2HD1 LEU 28 -0.352 4.331 3.681 211 3HD1 LEU 28 3HD1 LEU 28 0.229 2.677 3.468 212 1HD2 LEU 28 1HD2 LEU 28 -0.869 1.148 1.970 213 2HD2 LEU 28 2HD2 LEU 28 -2.319 1.616 1.082 214 3HD2 LEU 28 3HD2 LEU 28 -2.403 1.315 2.818 215 H ASN 29 H ASN 29 -4.463 5.395 4.639 216 HA ASN 29 HA ASN 29 -2.860 4.719 6.903 217 1HB ASN 29 1HB ASN 29 -5.065 6.753 6.700 218 2HB ASN 29 2HB ASN 29 -4.282 6.405 8.231 219 1HD2 ASN 29 1HD2 ASN 29 -4.331 8.858 6.716 220 2HD2 ASN 29 2HD2 ASN 29 -2.692 9.263 6.404 221 H ASP 30 H ASP 30 -6.213 3.949 6.174 222 HA ASP 30 HA ASP 30 -6.766 3.013 8.805 223 1HB ASP 30 1HB ASP 30 -8.523 3.549 7.052 224 2HB ASP 30 2HB ASP 30 -8.023 2.087 6.237 225 H LEU 31 H LEU 31 -5.621 1.619 5.868 226 HA LEU 31 HA LEU 31 -5.548 -1.129 6.660 227 1HB LEU 31 1HB LEU 31 -5.405 -0.023 4.304 228 2HB LEU 31 2HB LEU 31 -3.743 0.282 4.680 229 HG LEU 31 HG LEU 31 -4.054 -1.656 3.170 230 1HD1 LEU 31 1HD1 LEU 31 -2.631 -3.240 4.294 231 2HD1 LEU 31 2HD1 LEU 31 -2.913 -2.406 5.827 232 3HD1 LEU 31 3HD1 LEU 31 -2.061 -1.583 4.516 233 1HD2 LEU 31 1HD2 LEU 31 -6.167 -2.467 4.015 234 2HD2 LEU 31 2HD2 LEU 31 -5.399 -2.946 5.531 235 3HD2 LEU 31 3HD2 LEU 31 -4.954 -3.742 4.024 236 H LYS 32 H LYS 32 -3.177 1.483 6.647 237 HA LYS 32 HA LYS 32 -0.996 0.331 7.931 238 1HB LYS 32 1HB LYS 32 -2.232 3.018 7.835 239 2HB LYS 32 2HB LYS 32 -0.880 2.719 8.910 240 1HG LYS 32 1HG LYS 32 -0.733 1.939 6.057 241 2HG LYS 32 2HG LYS 32 -0.485 3.634 6.510 242 1HD LYS 32 1HD LYS 32 0.987 1.303 7.742 243 2HD LYS 32 2HD LYS 32 1.611 2.251 6.388 244 1HE LYS 32 1HE LYS 32 1.591 4.229 7.664 245 2HE LYS 32 2HE LYS 32 0.797 3.487 9.021 246 1HZ LYS 32 1HZ LYS 32 3.501 2.633 8.090 247 2HZ LYS 32 2HZ LYS 32 2.617 2.177 9.501 248 3HZ LYS 32 3HZ LYS 32 3.195 3.719 9.336 249 H LYS 33 H LYS 33 -3.742 2.043 9.481 250 HA LYS 33 HA LYS 33 -2.832 1.707 12.120 251 1HB LYS 33 1HB LYS 33 -4.685 3.209 11.052 252 2HB LYS 33 2HB LYS 33 -5.700 1.801 11.236 253 1HG LYS 33 1HG LYS 33 -6.041 3.305 13.077 254 2HG LYS 33 2HG LYS 33 -5.278 1.815 13.644 255 1HD LYS 33 1HD LYS 33 -4.279 3.809 14.643 256 2HD LYS 33 2HD LYS 33 -3.098 2.916 13.698 257 1HE LYS 33 1HE LYS 33 -2.869 5.310 13.315 258 2HE LYS 33 2HE LYS 33 -3.402 4.529 11.840 259 1HZ LYS 33 1HZ LYS 33 -5.163 6.019 13.735 260 2HZ LYS 33 2HZ LYS 33 -5.684 5.325 12.297 261 3HZ LYS 33 3HZ LYS 33 -4.584 6.591 12.276 262 H LYS 34 H LYS 34 -4.796 -0.382 9.999 263 HA LYS 34 HA LYS 34 -5.403 -2.230 11.963 264 1HB LYS 34 1HB LYS 34 -5.667 -1.746 9.142 265 2HB LYS 34 2HB LYS 34 -5.673 -3.432 9.449 266 1HG LYS 34 1HG LYS 34 -7.965 -2.561 9.410 267 2HG LYS 34 2HG LYS 34 -7.596 -3.020 11.064 268 1HD LYS 34 1HD LYS 34 -7.102 -0.690 11.622 269 2HD LYS 34 2HD LYS 34 -7.422 -0.211 9.960 270 1HE LYS 34 1HE LYS 34 -9.433 -1.434 11.852 271 2HE LYS 34 2HE LYS 34 -9.309 0.280 11.472 272 1HZ LYS 34 1HZ LYS 34 -9.757 -0.282 9.139 273 2HZ LYS 34 2HZ LYS 34 -11.032 -0.691 10.144 274 3HZ LYS 34 3HZ LYS 34 -10.001 -1.898 9.569 275 H LEU 35 H LEU 35 -2.727 -1.834 9.687 276 HA LEU 35 HA LEU 35 -1.431 -4.276 10.220 277 1HB LEU 35 1HB LEU 35 -0.635 -1.609 9.185 278 2HB LEU 35 2HB LEU 35 0.581 -2.815 9.322 279 HG LEU 35 HG LEU 35 -1.862 -2.827 7.564 280 1HD1 LEU 35 1HD1 LEU 35 1.088 -2.772 6.975 281 2HD1 LEU 35 2HD1 LEU 35 -0.035 -1.423 6.793 282 3HD1 LEU 35 3HD1 LEU 35 -0.190 -2.846 5.765 283 1HD2 LEU 35 1HD2 LEU 35 0.218 -4.990 7.909 284 2HD2 LEU 35 2HD2 LEU 35 -1.020 -4.946 6.658 285 3HD2 LEU 35 3HD2 LEU 35 -1.491 -5.106 8.346 286 H GLU 36 H GLU 36 -1.118 -0.969 11.510 287 HA GLU 36 HA GLU 36 0.962 -1.306 13.273 288 1HB GLU 36 1HB GLU 36 -1.492 0.357 13.389 289 2HB GLU 36 2HB GLU 36 -0.168 0.733 14.391 290 1HG GLU 36 1HG GLU 36 -0.505 0.952 11.470 291 2HG GLU 36 2HG GLU 36 -0.100 2.236 12.651 292 H LEU 37 H LEU 37 -2.413 -2.002 13.495 293 HA LEU 37 HA LEU 37 -2.590 -2.523 16.265 294 1HB LEU 37 1HB LEU 37 -4.546 -2.136 14.810 295 2HB LEU 37 2HB LEU 37 -4.228 -3.649 13.997 296 HG LEU 37 HG LEU 37 -4.699 -4.856 16.105 297 1HD1 LEU 37 1HD1 LEU 37 -4.139 -3.099 17.695 298 2HD1 LEU 37 2HD1 LEU 37 -5.787 -3.672 17.944 299 3HD1 LEU 37 3HD1 LEU 37 -5.504 -2.138 17.126 300 1HD2 LEU 37 1HD2 LEU 37 -6.442 -4.552 14.427 301 2HD2 LEU 37 2HD2 LEU 37 -6.887 -3.010 15.159 302 3HD2 LEU 37 3HD2 LEU 37 -7.113 -4.512 16.055 303 H VAL 38 H VAL 38 -1.705 -4.507 13.514 304 HA VAL 38 HA VAL 38 -1.641 -6.948 15.068 305 HB VAL 38 HB VAL 38 -0.690 -6.444 12.230 306 1HG1 VAL 38 1HG1 VAL 38 0.377 -8.411 13.182 307 2HG1 VAL 38 2HG1 VAL 38 -0.796 -8.882 11.950 308 3HG1 VAL 38 3HG1 VAL 38 -1.195 -9.055 13.659 309 1HG2 VAL 38 1HG2 VAL 38 -3.278 -7.630 13.219 310 2HG2 VAL 38 2HG2 VAL 38 -2.783 -7.512 11.533 311 3HG2 VAL 38 3HG2 VAL 38 -3.084 -6.046 12.469 312 H VAL 39 H VAL 39 0.697 -4.706 13.646 313 HA VAL 39 HA VAL 39 2.913 -6.316 14.651 314 HB VAL 39 HB VAL 39 3.121 -3.641 13.264 315 1HG1 VAL 39 1HG1 VAL 39 5.138 -4.407 14.428 316 2HG1 VAL 39 2HG1 VAL 39 5.373 -4.388 12.681 317 3HG1 VAL 39 3HG1 VAL 39 5.091 -5.915 13.516 318 1HG2 VAL 39 1HG2 VAL 39 1.858 -5.145 11.822 319 2HG2 VAL 39 2HG2 VAL 39 3.094 -6.388 12.006 320 3HG2 VAL 39 3HG2 VAL 39 3.474 -4.888 11.166 321 H GLY 40 H GLY 40 1.098 -3.677 15.734 322 1HA GLY 40 1HA GLY 40 1.179 -2.704 17.798 323 2HA GLY 40 2HA GLY 40 2.590 -3.689 18.180 324 H THR 41 H THR 41 2.660 -1.936 15.174 325 HA THR 41 HA THR 41 4.755 -0.368 16.317 326 HB THR 41 HB THR 41 4.984 0.185 13.795 327 HG1 THR 41 HG1 THR 41 3.200 -0.687 13.010 328 1HG2 THR 41 1HG2 THR 41 6.635 -1.074 15.081 329 2HG2 THR 41 2HG2 THR 41 6.388 -1.849 13.512 330 3HG2 THR 41 3HG2 THR 41 5.643 -2.522 14.961 331 H THR 42 H THR 42 4.947 1.772 14.966 332 HA THR 42 HA THR 42 2.434 3.180 15.181 333 HB THR 42 HB THR 42 4.026 5.163 15.523 334 HG1 THR 42 HG1 THR 42 6.099 4.750 15.796 335 1HG2 THR 42 1HG2 THR 42 3.947 2.972 17.606 336 2HG2 THR 42 2HG2 THR 42 2.700 4.195 17.352 337 3HG2 THR 42 3HG2 THR 42 4.297 4.669 17.924 338 H VAL 43 H VAL 43 2.408 5.078 13.611 339 HA VAL 43 HA VAL 43 2.568 3.928 11.097 340 HB VAL 43 HB VAL 43 2.092 6.124 10.183 341 1HG1 VAL 43 1HG1 VAL 43 0.348 5.230 12.515 342 2HG1 VAL 43 2HG1 VAL 43 0.253 4.610 10.868 343 3HG1 VAL 43 3HG1 VAL 43 -0.219 6.275 11.213 344 1HG2 VAL 43 1HG2 VAL 43 1.443 7.971 11.707 345 2HG2 VAL 43 2HG2 VAL 43 3.162 7.581 11.732 346 3HG2 VAL 43 3HG2 VAL 43 2.120 7.043 13.048 347 H ASP 44 H ASP 44 4.656 6.353 12.442 348 HA ASP 44 HA ASP 44 6.255 6.666 10.115 349 1HB ASP 44 1HB ASP 44 6.273 8.331 11.927 350 2HB ASP 44 2HB ASP 44 7.043 7.147 12.975 351 H SER 45 H SER 45 6.242 4.274 12.578 352 HA SER 45 HA SER 45 8.936 3.373 12.081 353 1HB SER 45 1HB SER 45 7.969 3.374 14.356 354 2HB SER 45 2HB SER 45 6.766 2.203 13.832 355 HG SER 45 HG SER 45 9.507 1.947 14.172 356 H MET 46 H MET 46 5.944 2.832 10.813 357 HA MET 46 HA MET 46 6.740 0.208 9.729 358 1HB MET 46 1HB MET 46 4.625 0.189 11.037 359 2HB MET 46 2HB MET 46 4.015 1.415 9.983 360 1HG MET 46 1HG MET 46 3.123 -0.815 9.439 361 2HG MET 46 2HG MET 46 3.947 -0.030 8.096 362 1HE MET 46 1HE MET 46 4.191 -2.767 10.891 363 2HE MET 46 2HE MET 46 5.633 -1.795 11.192 364 3HE MET 46 3HE MET 46 5.791 -3.442 10.586 365 H ARG 47 H ARG 47 7.538 0.316 7.767 366 HA ARG 47 HA ARG 47 6.770 2.530 6.033 367 1HB ARG 47 1HB ARG 47 9.154 2.186 6.490 368 2HB ARG 47 2HB ARG 47 9.038 0.535 5.918 369 1HG ARG 47 1HG ARG 47 8.541 1.352 3.672 370 2HG ARG 47 2HG ARG 47 8.666 3.015 4.248 371 1HD ARG 47 1HD ARG 47 10.979 2.603 4.921 372 2HD ARG 47 2HD ARG 47 10.854 0.945 4.326 373 HE ARG 47 HE ARG 47 10.259 3.072 2.458 374 1HH1 ARG 47 1HH1 ARG 47 12.754 0.879 3.704 375 2HH1 ARG 47 2HH1 ARG 47 13.655 0.842 2.277 376 1HH2 ARG 47 1HH2 ARG 47 11.511 3.048 0.514 377 2HH2 ARG 47 2HH2 ARG 47 12.933 2.115 0.378 378 H ILE 48 H ILE 48 5.733 2.141 4.100 379 HA ILE 48 HA ILE 48 4.888 -0.648 3.698 380 HB ILE 48 HB ILE 48 3.463 1.881 2.849 381 1HG1 ILE 48 1HG1 ILE 48 3.376 1.604 5.270 382 2HG1 ILE 48 2HG1 ILE 48 1.798 1.311 4.549 383 1HG2 ILE 48 1HG2 ILE 48 3.019 0.027 1.336 384 2HG2 ILE 48 2HG2 ILE 48 1.586 0.373 2.316 385 3HG2 ILE 48 3HG2 ILE 48 2.607 -1.008 2.705 386 1HD1 ILE 48 1HD1 ILE 48 2.158 -1.098 4.761 387 2HD1 ILE 48 2HD1 ILE 48 2.254 -0.276 6.316 388 3HD1 ILE 48 3HD1 ILE 48 3.731 -0.794 5.505 389 H GLN 49 H GLN 49 5.563 -1.597 1.929 390 HA GLN 49 HA GLN 49 6.666 0.074 -0.214 391 1HB GLN 49 1HB GLN 49 8.036 -1.711 1.158 392 2HB GLN 49 2HB GLN 49 7.199 -2.860 0.125 393 1HG GLN 49 1HG GLN 49 9.307 -2.432 -0.859 394 2HG GLN 49 2HG GLN 49 8.103 -1.594 -1.843 395 1HE2 GLN 49 1HE2 GLN 49 9.636 -0.114 -2.617 396 2HE2 GLN 49 2HE2 GLN 49 10.252 1.159 -1.639 397 H LEU 50 H LEU 50 5.665 -0.270 -2.291 398 HA LEU 50 HA LEU 50 3.515 -2.285 -2.336 399 1HB LEU 50 1HB LEU 50 2.723 0.028 -2.597 400 2HB LEU 50 2HB LEU 50 3.756 0.226 -3.998 401 HG LEU 50 HG LEU 50 2.368 -1.689 -5.084 402 1HD1 LEU 50 1HD1 LEU 50 0.238 -2.133 -4.269 403 2HD1 LEU 50 2HD1 LEU 50 0.604 -1.228 -2.800 404 3HD1 LEU 50 3HD1 LEU 50 1.522 -2.682 -3.194 405 1HD2 LEU 50 1HD2 LEU 50 0.901 0.854 -4.386 406 2HD2 LEU 50 2HD2 LEU 50 0.559 -0.230 -5.729 407 3HD2 LEU 50 3HD2 LEU 50 2.063 0.684 -5.698 408 H PHE 51 H PHE 51 3.924 -4.006 -3.498 409 HA PHE 51 HA PHE 51 5.750 -3.758 -5.753 410 1HB PHE 51 1HB PHE 51 4.791 -6.233 -4.285 411 2HB PHE 51 2HB PHE 51 5.889 -6.235 -5.657 412 HD1 PHE 51 HD1 PHE 51 5.635 -6.115 -2.121 413 HD2 PHE 51 HD2 PHE 51 8.079 -4.904 -5.382 414 HE1 PHE 51 HE1 PHE 51 7.550 -5.868 -0.597 415 HE2 PHE 51 HE2 PHE 51 9.992 -4.659 -3.869 416 HZ PHE 51 HZ PHE 51 9.734 -5.140 -1.473 417 H ASP 52 H ASP 52 5.072 -4.198 -7.755 418 HA ASP 52 HA ASP 52 2.291 -3.853 -8.303 419 1HB ASP 52 1HB ASP 52 4.175 -3.049 -9.778 420 2HB ASP 52 2HB ASP 52 4.450 -4.728 -10.179 421 H GLY 53 H GLY 53 4.379 -6.321 -9.375 422 1HA GLY 53 1HA GLY 53 2.134 -8.227 -9.147 423 2HA GLY 53 2HA GLY 53 3.308 -8.295 -10.453 424 H ASP 54 H ASP 54 5.380 -9.066 -10.050 425 HA ASP 54 HA ASP 54 5.396 -10.984 -7.894 426 1HB ASP 54 1HB ASP 54 7.210 -12.030 -9.118 427 2HB ASP 54 2HB ASP 54 5.813 -11.781 -10.162 428 H ASP 55 H ASP 55 7.151 -8.106 -8.923 429 HA ASP 55 HA ASP 55 8.453 -7.959 -6.435 430 1HB ASP 55 1HB ASP 55 9.899 -9.627 -7.384 431 2HB ASP 55 2HB ASP 55 10.155 -8.660 -8.818 432 H GLN 56 H GLN 56 8.199 -6.886 -9.743 433 HA GLN 56 HA GLN 56 9.663 -4.621 -9.596 434 1HB GLN 56 1HB GLN 56 8.441 -3.713 -11.456 435 2HB GLN 56 2HB GLN 56 8.918 -5.365 -11.702 436 1HG GLN 56 1HG GLN 56 6.120 -4.359 -11.064 437 2HG GLN 56 2HG GLN 56 6.686 -4.766 -12.660 438 1HE2 GLN 56 1HE2 GLN 56 5.088 -6.245 -13.004 439 2HE2 GLN 56 2HE2 GLN 56 4.985 -7.774 -12.231 440 H LEU 57 H LEU 57 9.525 -2.782 -8.992 441 HA LEU 57 HA LEU 57 7.743 -2.348 -6.762 442 1HB LEU 57 1HB LEU 57 10.162 -2.033 -6.531 443 2HB LEU 57 2HB LEU 57 10.090 -0.708 -7.671 444 HG LEU 57 HG LEU 57 8.690 0.567 -6.090 445 1HD1 LEU 57 1HD1 LEU 57 9.198 -1.742 -4.218 446 2HD1 LEU 57 2HD1 LEU 57 7.648 -1.320 -4.949 447 3HD1 LEU 57 3HD1 LEU 57 8.404 -0.219 -3.812 448 1HD2 LEU 57 1HD2 LEU 57 11.114 0.868 -6.074 449 2HD2 LEU 57 2HD2 LEU 57 11.278 -0.464 -4.929 450 3HD2 LEU 57 3HD2 LEU 57 10.452 1.016 -4.447 451 H LYS 58 H LYS 58 6.338 -0.770 -6.448 452 HA LYS 58 HA LYS 58 5.686 0.967 -8.714 453 1HB LYS 58 1HB LYS 58 4.122 0.072 -6.321 454 2HB LYS 58 2HB LYS 58 3.557 1.331 -7.404 455 1HG LYS 58 1HG LYS 58 4.306 -1.370 -8.458 456 2HG LYS 58 2HG LYS 58 2.744 -1.127 -7.690 457 1HD LYS 58 1HD LYS 58 2.585 -0.936 -10.151 458 2HD LYS 58 2HD LYS 58 2.174 0.578 -9.365 459 1HE LYS 58 1HE LYS 58 3.478 0.902 -11.384 460 2HE LYS 58 2HE LYS 58 4.360 1.488 -9.990 461 1HZ LYS 58 1HZ LYS 58 4.797 -1.125 -11.358 462 2HZ LYS 58 2HZ LYS 58 5.777 -0.502 -10.102 463 3HZ LYS 58 3HZ LYS 58 5.710 0.256 -11.582 464 H GLY 59 H GLY 59 6.314 0.922 -5.275 465 1HA GLY 59 1HA GLY 59 7.895 3.043 -5.010 466 2HA GLY 59 2HA GLY 59 6.300 3.787 -5.067 467 H GLU 60 H GLU 60 6.785 4.498 -2.810 468 HA GLU 60 HA GLU 60 6.455 2.398 -0.869 469 1HB GLU 60 1HB GLU 60 8.479 3.770 -0.698 470 2HB GLU 60 2HB GLU 60 7.513 5.224 -0.827 471 1HG GLU 60 1HG GLU 60 6.465 4.680 1.329 472 2HG GLU 60 2HG GLU 60 7.511 3.260 1.450 473 H LEU 61 H LEU 61 4.528 2.535 0.181 474 HA LEU 61 HA LEU 61 2.685 4.572 -0.768 475 1HB LEU 61 1HB LEU 61 2.163 2.317 1.148 476 2HB LEU 61 2HB LEU 61 0.961 3.424 0.501 477 HG LEU 61 HG LEU 61 2.559 1.424 -1.075 478 1HD1 LEU 61 1HD1 LEU 61 0.400 0.343 -1.445 479 2HD1 LEU 61 2HD1 LEU 61 -0.363 1.515 -0.375 480 3HD1 LEU 61 3HD1 LEU 61 0.829 0.384 0.264 481 1HD2 LEU 61 1HD2 LEU 61 0.455 3.386 -1.972 482 2HD2 LEU 61 2HD2 LEU 61 1.127 2.097 -2.957 483 3HD2 LEU 61 3HD2 LEU 61 2.164 3.411 -2.410 484 H THR 62 H THR 62 2.052 3.821 2.257 485 HA THR 62 HA THR 62 2.558 4.804 4.306 486 HB THR 62 HB THR 62 4.643 6.029 2.558 487 HG1 THR 62 HG1 THR 62 5.973 4.754 4.146 488 1HG2 THR 62 1HG2 THR 62 4.494 6.498 5.552 489 2HG2 THR 62 2HG2 THR 62 4.303 7.700 4.235 490 3HG2 THR 62 3HG2 THR 62 5.843 6.874 4.450 491 H ASP 63 H ASP 63 1.198 6.335 1.699 492 HA ASP 63 HA ASP 63 0.394 8.712 3.247 493 1HB ASP 63 1HB ASP 63 0.054 8.240 0.282 494 2HB ASP 63 2HB ASP 63 -0.361 9.677 1.133 495 H GLY 64 H GLY 64 -1.532 8.540 4.080 496 1HA GLY 64 1HA GLY 64 -3.460 6.729 2.764 497 2HA GLY 64 2HA GLY 64 -3.436 6.989 4.502 498 H ALA 65 H ALA 65 -2.813 9.900 3.208 499 HA ALA 65 HA ALA 65 -5.449 10.909 3.637 500 1HB ALA 65 1HB ALA 65 -4.498 13.063 2.933 501 2HB ALA 65 2HB ALA 65 -3.035 12.247 2.392 502 3HB ALA 65 3HB ALA 65 -3.454 12.262 4.104 503 H LYS 66 H LYS 66 -4.040 9.293 1.159 504 HA LYS 66 HA LYS 66 -6.026 10.203 -0.740 505 1HB LYS 66 1HB LYS 66 -4.297 9.628 -2.498 506 2HB LYS 66 2HB LYS 66 -3.956 11.066 -1.546 507 1HG LYS 66 1HG LYS 66 -2.491 9.589 -0.097 508 2HG LYS 66 2HG LYS 66 -2.677 8.357 -1.346 509 1HD LYS 66 1HD LYS 66 -1.553 11.135 -1.771 510 2HD LYS 66 2HD LYS 66 -0.600 9.661 -1.620 511 1HE LYS 66 1HE LYS 66 -1.651 8.778 -3.640 512 2HE LYS 66 2HE LYS 66 -2.640 10.226 -3.760 513 1HZ LYS 66 1HZ LYS 66 -0.649 11.537 -4.049 514 2HZ LYS 66 2HZ LYS 66 -0.745 10.329 -5.208 515 3HZ LYS 66 3HZ LYS 66 0.317 10.157 -3.915 516 H SER 67 H SER 67 -6.649 8.382 -2.279 517 HA SER 67 HA SER 67 -7.287 6.179 -0.629 518 1HB SER 67 1HB SER 67 -7.787 6.590 -3.548 519 2HB SER 67 2HB SER 67 -8.681 5.583 -2.418 520 HG SER 67 HG SER 67 -9.194 7.908 -3.115 521 H LEU 68 H LEU 68 -7.083 4.005 -1.492 522 HA LEU 68 HA LEU 68 -4.477 3.178 -2.143 523 1HB LEU 68 1HB LEU 68 -7.104 1.797 -2.668 524 2HB LEU 68 2HB LEU 68 -5.537 1.026 -2.687 525 HG LEU 68 HG LEU 68 -6.899 2.222 -0.267 526 1HD1 LEU 68 1HD1 LEU 68 -7.075 -0.092 0.492 527 2HD1 LEU 68 2HD1 LEU 68 -6.384 -0.648 -1.034 528 3HD1 LEU 68 3HD1 LEU 68 -7.949 0.165 -1.017 529 1HD2 LEU 68 1HD2 LEU 68 -4.475 2.431 -0.108 530 2HD2 LEU 68 2HD2 LEU 68 -4.292 0.720 -0.499 531 3HD2 LEU 68 3HD2 LEU 68 -5.066 1.203 1.009 532 H LYS 69 H LYS 69 -7.197 4.087 -4.039 533 HA LYS 69 HA LYS 69 -6.219 3.010 -6.504 534 1HB LYS 69 1HB LYS 69 -8.603 3.384 -6.053 535 2HB LYS 69 2HB LYS 69 -8.325 5.116 -6.042 536 1HG LYS 69 1HG LYS 69 -7.665 5.049 -8.382 537 2HG LYS 69 2HG LYS 69 -7.888 3.299 -8.405 538 1HD LYS 69 1HD LYS 69 -10.262 3.601 -7.867 539 2HD LYS 69 2HD LYS 69 -10.045 5.348 -7.876 540 1HE LYS 69 1HE LYS 69 -9.349 5.214 -10.232 541 2HE LYS 69 2HE LYS 69 -9.620 3.472 -10.191 542 1HZ LYS 69 1HZ LYS 69 -11.976 3.939 -9.646 543 2HZ LYS 69 2HZ LYS 69 -11.493 4.526 -11.144 544 3HZ LYS 69 3HZ LYS 69 -11.658 5.597 -9.847 545 H ASP 70 H ASP 70 -6.286 6.224 -5.018 546 HA ASP 70 HA ASP 70 -5.039 7.528 -7.223 547 1HB ASP 70 1HB ASP 70 -6.394 8.511 -5.299 548 2HB ASP 70 2HB ASP 70 -4.928 8.414 -4.365 549 H LEU 71 H LEU 71 -3.932 5.787 -4.514 550 HA LEU 71 HA LEU 71 -1.129 6.489 -4.613 551 1HB LEU 71 1HB LEU 71 -2.550 4.132 -3.418 552 2HB LEU 71 2HB LEU 71 -0.819 4.347 -3.330 553 HG LEU 71 HG LEU 71 -2.822 6.282 -2.113 554 1HD1 LEU 71 1HD1 LEU 71 -2.927 4.081 -1.077 555 2HD1 LEU 71 2HD1 LEU 71 -2.169 5.291 -0.035 556 3HD1 LEU 71 3HD1 LEU 71 -1.174 4.103 -0.872 557 1HD2 LEU 71 1HD2 LEU 71 0.146 5.932 -1.805 558 2HD2 LEU 71 2HD2 LEU 71 -0.878 7.103 -0.971 559 3HD2 LEU 71 3HD2 LEU 71 -0.625 7.237 -2.710 560 H GLY 72 H GLY 72 -3.048 4.471 -6.565 561 1HA GLY 72 1HA GLY 72 -2.259 3.505 -8.574 562 2HA GLY 72 2HA GLY 72 -0.625 3.518 -7.915 563 H VAL 73 H VAL 73 -2.720 2.438 -5.610 564 HA VAL 73 HA VAL 73 -1.811 -0.274 -5.830 565 HB VAL 73 HB VAL 73 -3.841 0.967 -3.949 566 1HG1 VAL 73 1HG1 VAL 73 -2.326 -1.627 -3.752 567 2HG1 VAL 73 2HG1 VAL 73 -4.049 -1.436 -4.072 568 3HG1 VAL 73 3HG1 VAL 73 -3.386 -0.961 -2.508 569 1HG2 VAL 73 1HG2 VAL 73 -1.666 2.050 -3.724 570 2HG2 VAL 73 2HG2 VAL 73 -0.905 0.471 -3.497 571 3HG2 VAL 73 3HG2 VAL 73 -2.047 1.080 -2.304 572 H ARG 74 H ARG 74 -2.895 -1.619 -7.156 573 HA ARG 74 HA ARG 74 -5.783 -1.237 -7.499 574 1HB ARG 74 1HB ARG 74 -3.757 -2.104 -9.559 575 2HB ARG 74 2HB ARG 74 -5.490 -2.181 -9.796 576 1HG ARG 74 1HG ARG 74 -5.610 0.261 -9.551 577 2HG ARG 74 2HG ARG 74 -3.859 0.308 -9.354 578 1HD ARG 74 1HD ARG 74 -5.313 -0.758 -11.767 579 2HD ARG 74 2HD ARG 74 -4.556 0.829 -11.656 580 HE ARG 74 HE ARG 74 -2.595 -0.985 -11.018 581 1HH1 ARG 74 1HH1 ARG 74 -4.629 -0.403 -13.874 582 2HH1 ARG 74 2HH1 ARG 74 -3.435 -0.973 -14.957 583 1HH2 ARG 74 1HH2 ARG 74 -1.021 -1.759 -12.534 584 2HH2 ARG 74 2HH2 ARG 74 -1.378 -1.737 -14.198 585 H ASP 75 H ASP 75 -6.488 -3.463 -8.728 586 HA ASP 75 HA ASP 75 -6.029 -5.423 -6.690 587 1HB ASP 75 1HB ASP 75 -7.529 -6.900 -8.013 588 2HB ASP 75 2HB ASP 75 -8.253 -5.379 -7.536 589 H GLY 76 H GLY 76 -5.163 -7.339 -6.886 590 1HA GLY 76 1HA GLY 76 -3.727 -8.990 -7.881 591 2HA GLY 76 2HA GLY 76 -3.557 -7.920 -9.263 592 H TYR 77 H TYR 77 -3.181 -6.273 -6.414 593 HA TYR 77 HA TYR 77 -0.272 -6.257 -6.691 594 1HB TYR 77 1HB TYR 77 -2.207 -4.208 -5.656 595 2HB TYR 77 2HB TYR 77 -0.488 -4.119 -5.300 596 HD1 TYR 77 HD1 TYR 77 -2.673 -4.640 -8.314 597 HD2 TYR 77 HD2 TYR 77 0.728 -2.751 -6.626 598 HE1 TYR 77 HE1 TYR 77 -2.271 -3.475 -10.438 599 HE2 TYR 77 HE2 TYR 77 1.127 -1.586 -8.739 600 HH TYR 77 HH TYR 77 0.640 -2.028 -11.075 601 H ARG 78 H ARG 78 1.016 -6.103 -4.793 602 HA ARG 78 HA ARG 78 -0.321 -7.246 -2.480 603 1HB ARG 78 1HB ARG 78 1.603 -8.662 -2.024 604 2HB ARG 78 2HB ARG 78 1.040 -8.972 -3.655 605 1HG ARG 78 1HG ARG 78 2.882 -7.467 -4.461 606 2HG ARG 78 2HG ARG 78 3.481 -7.443 -2.803 607 1HD ARG 78 1HD ARG 78 3.232 -9.815 -4.647 608 2HD ARG 78 2HD ARG 78 4.704 -9.116 -3.988 609 HE ARG 78 HE ARG 78 2.682 -10.490 -2.323 610 1HH1 ARG 78 1HH1 ARG 78 6.112 -9.898 -3.045 611 2HH1 ARG 78 2HH1 ARG 78 6.668 -11.071 -1.966 612 1HH2 ARG 78 1HH2 ARG 78 3.401 -12.036 -0.954 613 2HH2 ARG 78 2HH2 ARG 78 5.069 -12.380 -0.693 614 H ILE 79 H ILE 79 0.137 -6.343 -0.587 615 HA ILE 79 HA ILE 79 1.634 -3.819 -0.709 616 HB ILE 79 HB ILE 79 -0.206 -4.816 1.492 617 1HG1 ILE 79 1HG1 ILE 79 -1.502 -4.587 -0.614 618 2HG1 ILE 79 2HG1 ILE 79 -1.993 -3.409 0.591 619 1HG2 ILE 79 1HG2 ILE 79 1.317 -3.112 2.225 620 2HG2 ILE 79 2HG2 ILE 79 -0.304 -2.409 2.124 621 3HG2 ILE 79 3HG2 ILE 79 0.889 -2.084 0.863 622 1HD1 ILE 79 1HD1 ILE 79 -1.911 -2.441 -1.615 623 2HD1 ILE 79 2HD1 ILE 79 -0.224 -2.913 -1.784 624 3HD1 ILE 79 3HD1 ILE 79 -0.685 -1.708 -0.582 625 H HIS 80 H HIS 80 3.547 -3.758 0.498 626 HA HIS 80 HA HIS 80 3.965 -5.973 2.362 627 1HB HIS 80 1HB HIS 80 5.416 -6.269 0.472 628 2HB HIS 80 2HB HIS 80 5.954 -4.596 0.565 629 HD1 HIS 80 HD1 HIS 80 6.204 -7.859 2.496 630 HD2 HIS 80 HD2 HIS 80 8.077 -4.158 2.169 631 HE1 HIS 80 HE1 HIS 80 8.135 -8.005 4.020 632 HE2 HIS 80 HE2 HIS 80 9.500 -5.971 3.429 633 H ALA 81 H ALA 81 4.043 -5.384 4.381 634 HA ALA 81 HA ALA 81 4.817 -2.660 5.055 635 1HB ALA 81 1HB ALA 81 3.918 -3.251 7.279 636 2HB ALA 81 2HB ALA 81 3.575 -4.882 6.687 637 3HB ALA 81 3HB ALA 81 2.743 -3.498 5.988 638 H VAL 82 H VAL 82 6.640 -2.249 6.316 639 HA VAL 82 HA VAL 82 8.171 -4.497 7.282 640 HB VAL 82 HB VAL 82 8.943 -4.026 4.984 641 1HG1 VAL 82 1HG1 VAL 82 8.494 -1.686 4.772 642 2HG1 VAL 82 2HG1 VAL 82 10.191 -2.021 4.415 643 3HG1 VAL 82 3HG1 VAL 82 9.740 -1.325 5.972 644 1HG2 VAL 82 1HG2 VAL 82 10.531 -4.969 6.528 645 2HG2 VAL 82 2HG2 VAL 82 10.945 -3.362 7.113 646 3HG2 VAL 82 3HG2 VAL 82 11.359 -3.831 5.461 647 H ASP 83 H ASP 83 9.109 -4.008 9.282 648 HA ASP 83 HA ASP 83 8.449 -1.483 10.359 649 1HB ASP 83 1HB ASP 83 8.914 -2.424 12.393 650 2HB ASP 83 2HB ASP 83 8.234 -3.754 11.490 651 H VAL 84 H VAL 84 9.815 0.032 10.958 652 HA VAL 84 HA VAL 84 12.549 -0.130 9.962 653 HB VAL 84 HB VAL 84 11.004 2.224 11.044 654 1HG1 VAL 84 1HG1 VAL 84 13.412 2.560 11.223 655 2HG1 VAL 84 2HG1 VAL 84 12.724 3.612 9.985 656 3HG1 VAL 84 3HG1 VAL 84 13.601 2.154 9.513 657 1HG2 VAL 84 1HG2 VAL 84 10.767 2.938 8.696 658 2HG2 VAL 84 2HG2 VAL 84 9.968 1.401 9.014 659 3HG2 VAL 84 3HG2 VAL 84 11.522 1.431 8.182 660 H THR 85 H THR 85 10.763 -0.233 12.902 661 HA THR 85 HA THR 85 12.667 0.947 14.623 662 HB THR 85 HB THR 85 10.287 0.754 15.188 663 HG1 THR 85 HG1 THR 85 11.989 0.894 16.836 664 1HG2 THR 85 1HG2 THR 85 9.828 -1.480 14.345 665 2HG2 THR 85 2HG2 THR 85 9.358 -1.353 16.038 666 3HG2 THR 85 3HG2 THR 85 10.853 -2.183 15.598 667 H GLY 86 H GLY 86 12.255 -2.347 13.576 668 1HA GLY 86 1HA GLY 86 14.579 -3.090 15.226 669 2HA GLY 86 2HA GLY 86 13.451 -4.218 14.475 670 H GLY 87 H GLY 87 13.868 -1.891 12.335 671 1HA GLY 87 1HA GLY 87 14.852 -1.829 10.240 672 2HA GLY 87 2HA GLY 87 16.332 -2.224 11.099 673 H ASN 88 H ASN 88 13.416 -4.211 10.718 674 HA ASN 88 HA ASN 88 15.173 -6.359 9.883 675 1HB ASN 88 1HB ASN 88 12.172 -6.423 10.313 676 2HB ASN 88 2HB ASN 88 13.196 -7.814 10.021 677 1HD2 ASN 88 1HD2 ASN 88 12.054 -5.530 12.308 678 2HD2 ASN 88 2HD2 ASN 88 12.774 -6.234 13.709 679 H GLU 89 H GLU 89 15.591 -6.678 7.880 680 HA GLU 89 HA GLU 89 13.591 -6.929 5.914 681 1HB GLU 89 1HB GLU 89 14.636 -5.247 4.281 682 2HB GLU 89 2HB GLU 89 13.700 -4.559 5.584 683 1HG GLU 89 1HG GLU 89 15.622 -3.187 5.247 684 2HG GLU 89 2HG GLU 89 15.844 -4.049 6.758 685 H ASP 90 H ASP 90 15.598 -8.267 7.352 686 HA ASP 90 HA ASP 90 17.022 -9.571 5.242 687 1HB ASP 90 1HB ASP 90 18.633 -7.907 5.894 688 2HB ASP 90 2HB ASP 90 18.340 -8.249 7.599 Start of MODEL 17 1 H MET 1 H MET 1 -18.440 3.389 -7.052 2 HA MET 1 HA MET 1 -19.244 4.416 -4.412 3 1HB MET 1 1HB MET 1 -21.105 4.525 -6.036 4 2HB MET 1 2HB MET 1 -20.849 2.842 -6.458 5 1HG MET 1 1HG MET 1 -21.448 2.171 -4.182 6 2HG MET 1 2HG MET 1 -21.722 3.852 -3.748 7 1HE MET 1 1HE MET 1 -23.650 5.350 -4.824 8 2HE MET 1 2HE MET 1 -24.832 4.745 -5.976 9 3HE MET 1 3HE MET 1 -23.150 4.940 -6.465 10 H THR 2 H THR 2 -19.643 1.273 -6.152 11 HA THR 2 HA THR 2 -18.474 0.048 -3.832 12 HB THR 2 HB THR 2 -19.102 -2.073 -5.132 13 HG1 THR 2 HG1 THR 2 -19.288 -1.104 -7.189 14 1HG2 THR 2 1HG2 THR 2 -21.490 -1.890 -4.570 15 2HG2 THR 2 2HG2 THR 2 -21.321 -0.142 -4.426 16 3HG2 THR 2 3HG2 THR 2 -20.486 -1.204 -3.293 17 H GLU 3 H GLU 3 -16.402 -0.119 -3.803 18 HA GLU 3 HA GLU 3 -14.840 -0.748 -6.162 19 1HB GLU 3 1HB GLU 3 -14.525 1.799 -4.560 20 2HB GLU 3 2HB GLU 3 -13.365 1.191 -5.734 21 1HG GLU 3 1HG GLU 3 -14.791 1.543 -7.505 22 2HG GLU 3 2HG GLU 3 -16.189 1.709 -6.439 23 H VAL 4 H VAL 4 -13.945 -2.384 -5.301 24 HA VAL 4 HA VAL 4 -12.479 -2.046 -2.776 25 HB VAL 4 HB VAL 4 -12.922 -4.404 -2.138 26 1HG1 VAL 4 1HG1 VAL 4 -15.415 -2.741 -2.467 27 2HG1 VAL 4 2HG1 VAL 4 -14.269 -2.659 -1.129 28 3HG1 VAL 4 3HG1 VAL 4 -15.233 -4.114 -1.378 29 1HG2 VAL 4 1HG2 VAL 4 -13.443 -5.328 -4.340 30 2HG2 VAL 4 2HG2 VAL 4 -14.918 -4.361 -4.404 31 3HG2 VAL 4 3HG2 VAL 4 -14.761 -5.643 -3.211 32 H TYR 5 H TYR 5 -10.611 -3.089 -2.567 33 HA TYR 5 HA TYR 5 -9.560 -4.501 -4.944 34 1HB TYR 5 1HB TYR 5 -7.278 -3.608 -4.264 35 2HB TYR 5 2HB TYR 5 -8.352 -2.446 -5.000 36 HD1 TYR 5 HD1 TYR 5 -8.320 -0.352 -4.070 37 HD2 TYR 5 HD2 TYR 5 -7.550 -3.664 -1.554 38 HE1 TYR 5 HE1 TYR 5 -7.972 1.173 -2.155 39 HE2 TYR 5 HE2 TYR 5 -7.200 -2.154 0.343 40 HH TYR 5 HH TYR 5 -8.142 1.075 0.241 41 H ASP 6 H ASP 6 -8.796 -6.362 -4.712 42 HA ASP 6 HA ASP 6 -8.348 -7.378 -2.003 43 1HB ASP 6 1HB ASP 6 -9.646 -8.712 -3.564 44 2HB ASP 6 2HB ASP 6 -8.223 -8.843 -4.627 45 H LEU 7 H LEU 7 -6.493 -7.211 -1.294 46 HA LEU 7 HA LEU 7 -4.270 -7.346 -3.089 47 1HB LEU 7 1HB LEU 7 -3.137 -5.714 -1.507 48 2HB LEU 7 2HB LEU 7 -4.105 -5.107 -2.846 49 HG LEU 7 HG LEU 7 -5.903 -4.640 -1.202 50 1HD1 LEU 7 1HD1 LEU 7 -5.402 -4.661 1.178 51 2HD1 LEU 7 2HD1 LEU 7 -3.860 -5.480 0.843 52 3HD1 LEU 7 3HD1 LEU 7 -5.398 -6.278 0.477 53 1HD2 LEU 7 1HD2 LEU 7 -4.811 -2.740 -0.134 54 2HD2 LEU 7 2HD2 LEU 7 -4.348 -2.911 -1.828 55 3HD2 LEU 7 3HD2 LEU 7 -3.242 -3.423 -0.552 56 H GLU 8 H GLU 8 -2.244 -7.707 -2.213 57 HA GLU 8 HA GLU 8 -2.389 -9.771 -0.118 58 1HB GLU 8 1HB GLU 8 -1.818 -10.549 -2.325 59 2HB GLU 8 2HB GLU 8 -0.571 -9.317 -2.452 60 1HG GLU 8 1HG GLU 8 0.717 -10.415 -0.737 61 2HG GLU 8 2HG GLU 8 -0.570 -11.607 -0.513 62 H ILE 9 H ILE 9 -1.643 -9.084 1.656 63 HA ILE 9 HA ILE 9 0.271 -6.873 1.764 64 HB ILE 9 HB ILE 9 -1.212 -8.216 4.015 65 1HG1 ILE 9 1HG1 ILE 9 -2.795 -7.036 2.562 66 2HG1 ILE 9 2HG1 ILE 9 -2.643 -6.197 4.099 67 1HG2 ILE 9 1HG2 ILE 9 -0.541 -6.271 5.381 68 2HG2 ILE 9 2HG2 ILE 9 0.408 -5.673 4.023 69 3HG2 ILE 9 3HG2 ILE 9 0.840 -7.201 4.794 70 1HD1 ILE 9 1HD1 ILE 9 -1.401 -5.436 1.483 71 2HD1 ILE 9 2HD1 ILE 9 -1.092 -4.605 3.010 72 3HD1 ILE 9 3HD1 ILE 9 -2.713 -4.589 2.311 73 H THR 10 H THR 10 2.225 -7.189 2.233 74 HA THR 10 HA THR 10 3.101 -9.658 3.525 75 HB THR 10 HB THR 10 5.320 -9.213 2.335 76 HG1 THR 10 HG1 THR 10 3.581 -7.498 0.954 77 1HG2 THR 10 1HG2 THR 10 4.616 -10.387 0.306 78 2HG2 THR 10 2HG2 THR 10 2.921 -10.040 0.723 79 3HG2 THR 10 3HG2 THR 10 3.915 -11.058 1.782 80 H THR 11 H THR 11 4.746 -9.358 5.078 81 HA THR 11 HA THR 11 5.285 -6.581 5.775 82 HB THR 11 HB THR 11 4.408 -8.469 7.847 83 HG1 THR 11 HG1 THR 11 2.561 -8.401 6.598 84 1HG2 THR 11 1HG2 THR 11 5.411 -6.393 8.582 85 2HG2 THR 11 2HG2 THR 11 3.711 -6.393 9.041 86 3HG2 THR 11 3HG2 THR 11 4.248 -5.454 7.644 87 H ASN 12 H ASN 12 6.672 -6.471 7.242 88 HA ASN 12 HA ASN 12 9.196 -7.704 6.980 89 1HB ASN 12 1HB ASN 12 8.942 -5.495 7.780 90 2HB ASN 12 2HB ASN 12 8.034 -6.022 9.188 91 1HD2 ASN 12 1HD2 ASN 12 9.409 -5.188 10.720 92 2HD2 ASN 12 2HD2 ASN 12 11.022 -5.689 10.930 93 H ALA 13 H ALA 13 6.606 -8.251 9.236 94 HA ALA 13 HA ALA 13 8.281 -10.201 10.530 95 1HB ALA 13 1HB ALA 13 5.992 -8.710 11.750 96 2HB ALA 13 2HB ALA 13 7.715 -8.332 11.870 97 3HB ALA 13 3HB ALA 13 7.099 -9.831 12.574 98 H THR 14 H THR 14 6.075 -10.343 8.249 99 HA THR 14 HA THR 14 4.740 -12.650 9.456 100 HB THR 14 HB THR 14 2.939 -12.327 7.720 101 HG1 THR 14 HG1 THR 14 3.712 -11.081 6.198 102 1HG2 THR 14 1HG2 THR 14 2.607 -11.534 10.016 103 2HG2 THR 14 2HG2 THR 14 1.837 -10.444 8.863 104 3HG2 THR 14 3HG2 THR 14 3.376 -10.003 9.603 105 H ASP 15 H ASP 15 4.836 -14.579 8.431 106 HA ASP 15 HA ASP 15 6.763 -14.776 6.259 107 1HB ASP 15 1HB ASP 15 6.887 -16.351 8.198 108 2HB ASP 15 2HB ASP 15 5.303 -16.974 7.752 109 H PHE 16 H PHE 16 3.412 -15.267 6.947 110 HA PHE 16 HA PHE 16 2.875 -16.233 4.272 111 1HB PHE 16 1HB PHE 16 1.079 -15.918 6.682 112 2HB PHE 16 2HB PHE 16 0.557 -16.538 5.129 113 HD1 PHE 16 HD1 PHE 16 2.662 -17.223 8.080 114 HD2 PHE 16 HD2 PHE 16 1.014 -18.774 4.482 115 HE1 PHE 16 HE1 PHE 16 3.283 -19.486 8.780 116 HE2 PHE 16 HE2 PHE 16 1.638 -21.038 5.178 117 HZ PHE 16 HZ PHE 16 2.771 -21.400 7.326 118 HA PRO 17 HA PRO 17 1.468 -12.123 3.076 119 1HB PRO 17 1HB PRO 17 -0.036 -13.461 0.942 120 2HB PRO 17 2HB PRO 17 1.324 -12.344 0.801 121 1HG PRO 17 1HG PRO 17 1.560 -14.959 0.201 122 2HG PRO 17 2HG PRO 17 2.890 -14.025 0.906 123 1HD PRO 17 1HD PRO 17 1.007 -15.932 2.240 124 2HD PRO 17 2HD PRO 17 2.764 -15.720 2.436 125 H MET 18 H MET 18 -0.360 -10.989 3.503 126 HA MET 18 HA MET 18 -2.667 -12.545 4.453 127 1HB MET 18 1HB MET 18 -1.921 -9.664 5.030 128 2HB MET 18 2HB MET 18 -3.300 -10.513 5.693 129 1HG MET 18 1HG MET 18 -0.414 -11.228 6.174 130 2HG MET 18 2HG MET 18 -1.448 -10.326 7.280 131 1HE MET 18 1HE MET 18 -0.980 -13.786 9.064 132 2HE MET 18 2HE MET 18 -0.800 -12.035 9.208 133 3HE MET 18 3HE MET 18 0.212 -12.938 8.078 134 H GLU 19 H GLU 19 -4.418 -12.556 3.216 135 HA GLU 19 HA GLU 19 -4.584 -10.700 0.981 136 1HB GLU 19 1HB GLU 19 -6.309 -13.042 1.719 137 2HB GLU 19 2HB GLU 19 -6.361 -12.155 0.209 138 1HG GLU 19 1HG GLU 19 -4.160 -12.881 -0.401 139 2HG GLU 19 2HG GLU 19 -3.938 -13.653 1.166 140 H LYS 20 H LYS 20 -5.781 -8.956 1.131 141 HA LYS 20 HA LYS 20 -7.988 -8.883 3.006 142 1HB LYS 20 1HB LYS 20 -5.634 -7.083 2.782 143 2HB LYS 20 2HB LYS 20 -7.183 -6.500 3.366 144 1HG LYS 20 1HG LYS 20 -5.692 -8.836 4.588 145 2HG LYS 20 2HG LYS 20 -5.521 -7.178 5.169 146 1HD LYS 20 1HD LYS 20 -7.943 -7.102 5.630 147 2HD LYS 20 2HD LYS 20 -8.096 -8.758 5.058 148 1HE LYS 20 1HE LYS 20 -6.365 -7.925 7.385 149 2HE LYS 20 2HE LYS 20 -8.025 -8.491 7.549 150 1HZ LYS 20 1HZ LYS 20 -5.788 -10.105 6.387 151 2HZ LYS 20 2HZ LYS 20 -7.368 -10.608 6.617 152 3HZ LYS 20 3HZ LYS 20 -6.411 -10.250 7.935 153 H LYS 21 H LYS 21 -9.725 -7.817 2.267 154 HA LYS 21 HA LYS 21 -9.477 -6.434 -0.304 155 1HB LYS 21 1HB LYS 21 -10.837 -8.502 -0.379 156 2HB LYS 21 2HB LYS 21 -11.860 -7.848 0.892 157 1HG LYS 21 1HG LYS 21 -12.516 -6.006 -0.606 158 2HG LYS 21 2HG LYS 21 -11.534 -6.720 -1.887 159 1HD LYS 21 1HD LYS 21 -13.863 -7.340 -2.199 160 2HD LYS 21 2HD LYS 21 -12.924 -8.766 -1.756 161 1HE LYS 21 1HE LYS 21 -13.694 -8.572 0.552 162 2HE LYS 21 2HE LYS 21 -14.601 -7.114 0.138 163 1HZ LYS 21 1HZ LYS 21 -16.016 -9.056 0.216 164 2HZ LYS 21 2HZ LYS 21 -15.072 -9.833 -0.950 165 3HZ LYS 21 3HZ LYS 21 -15.941 -8.462 -1.358 166 H TYR 22 H TYR 22 -9.644 -4.329 -0.048 167 HA TYR 22 HA TYR 22 -11.527 -3.285 1.933 168 1HB TYR 22 1HB TYR 22 -8.673 -2.357 1.545 169 2HB TYR 22 2HB TYR 22 -9.876 -1.362 2.339 170 HD1 TYR 22 HD1 TYR 22 -10.822 -2.086 4.496 171 HD2 TYR 22 HD2 TYR 22 -7.609 -4.179 2.680 172 HE1 TYR 22 HE1 TYR 22 -10.317 -3.160 6.646 173 HE2 TYR 22 HE2 TYR 22 -7.099 -5.254 4.842 174 HH TYR 22 HH TYR 22 -9.231 -5.217 7.420 175 HA PRO 23 HA PRO 23 -13.023 -0.682 -1.269 176 1HB PRO 23 1HB PRO 23 -12.845 1.696 0.457 177 2HB PRO 23 2HB PRO 23 -14.256 0.955 -0.300 178 1HG PRO 23 1HG PRO 23 -13.839 0.772 2.338 179 2HG PRO 23 2HG PRO 23 -14.543 -0.555 1.395 180 1HD PRO 23 1HD PRO 23 -11.754 -0.240 2.417 181 2HD PRO 23 2HD PRO 23 -12.779 -1.689 2.360 182 H ALA 24 H ALA 24 -12.288 0.492 -2.872 183 HA ALA 24 HA ALA 24 -9.569 1.187 -3.134 184 1HB ALA 24 1HB ALA 24 -10.154 2.126 -5.269 185 2HB ALA 24 2HB ALA 24 -11.842 2.235 -4.789 186 3HB ALA 24 3HB ALA 24 -11.092 0.654 -5.021 187 H GLY 25 H GLY 25 -12.205 2.956 -2.053 188 1HA GLY 25 1HA GLY 25 -10.846 5.524 -2.149 189 2HA GLY 25 2HA GLY 25 -12.461 5.229 -1.518 190 H MET 26 H MET 26 -10.510 2.946 -0.120 191 HA MET 26 HA MET 26 -10.441 4.444 2.339 192 1HB MET 26 1HB MET 26 -11.104 2.070 2.363 193 2HB MET 26 2HB MET 26 -9.515 1.610 1.770 194 1HG MET 26 1HG MET 26 -9.743 1.233 4.173 195 2HG MET 26 2HG MET 26 -8.497 2.434 3.823 196 1HE MET 26 1HE MET 26 -12.696 3.451 5.454 197 2HE MET 26 2HE MET 26 -12.134 1.805 5.153 198 3HE MET 26 3HE MET 26 -12.446 2.896 3.801 199 H SER 27 H SER 27 -8.556 4.772 3.605 200 HA SER 27 HA SER 27 -6.261 5.657 2.046 201 1HB SER 27 1HB SER 27 -5.621 6.570 4.212 202 2HB SER 27 2HB SER 27 -7.189 7.160 3.696 203 HG SER 27 HG SER 27 -7.886 6.403 5.538 204 H LEU 28 H LEU 28 -4.212 5.052 2.363 205 HA LEU 28 HA LEU 28 -3.543 2.417 3.052 206 1HB LEU 28 1HB LEU 28 -2.174 4.053 1.748 207 2HB LEU 28 2HB LEU 28 -1.932 4.950 3.181 208 HG LEU 28 HG LEU 28 -0.840 2.129 3.078 209 1HD1 LEU 28 1HD1 LEU 28 1.278 3.101 2.320 210 2HD1 LEU 28 2HD1 LEU 28 0.504 4.677 2.154 211 3HD1 LEU 28 3HD1 LEU 28 0.019 3.343 1.111 212 1HD2 LEU 28 1HD2 LEU 28 -0.018 4.649 4.539 213 2HD2 LEU 28 2HD2 LEU 28 0.767 3.083 4.679 214 3HD2 LEU 28 3HD2 LEU 28 -0.893 3.294 5.249 215 H ASN 29 H ASN 29 -3.707 5.315 4.872 216 HA ASN 29 HA ASN 29 -2.424 4.318 7.193 217 1HB ASN 29 1HB ASN 29 -4.296 6.660 6.968 218 2HB ASN 29 2HB ASN 29 -3.534 6.177 8.476 219 1HD2 ASN 29 1HD2 ASN 29 -3.262 8.669 7.093 220 2HD2 ASN 29 2HD2 ASN 29 -1.605 8.845 6.679 221 H ASP 30 H ASP 30 -5.883 4.455 6.402 222 HA ASP 30 HA ASP 30 -6.667 3.456 8.961 223 1HB ASP 30 1HB ASP 30 -8.130 4.705 7.324 224 2HB ASP 30 2HB ASP 30 -8.192 3.235 6.399 225 H LEU 31 H LEU 31 -5.921 2.043 5.866 226 HA LEU 31 HA LEU 31 -6.976 -0.541 6.379 227 1HB LEU 31 1HB LEU 31 -6.230 0.538 4.121 228 2HB LEU 31 2HB LEU 31 -4.624 0.148 4.625 229 HG LEU 31 HG LEU 31 -6.744 -1.967 4.224 230 1HD1 LEU 31 1HD1 LEU 31 -6.297 -0.823 2.139 231 2HD1 LEU 31 2HD1 LEU 31 -5.642 -2.461 2.129 232 3HD1 LEU 31 3HD1 LEU 31 -4.567 -1.081 2.373 233 1HD2 LEU 31 1HD2 LEU 31 -4.896 -2.668 5.672 234 2HD2 LEU 31 2HD2 LEU 31 -3.740 -2.180 4.433 235 3HD2 LEU 31 3HD2 LEU 31 -4.852 -3.514 4.126 236 H LYS 32 H LYS 32 -3.688 0.871 6.599 237 HA LYS 32 HA LYS 32 -2.719 -1.402 7.794 238 1HB LYS 32 1HB LYS 32 -1.719 1.362 7.620 239 2HB LYS 32 2HB LYS 32 -0.868 -0.035 8.299 240 1HG LYS 32 1HG LYS 32 -1.304 -1.199 6.105 241 2HG LYS 32 2HG LYS 32 -1.846 0.340 5.530 242 1HD LYS 32 1HD LYS 32 0.588 -0.149 5.074 243 2HD LYS 32 2HD LYS 32 0.174 1.412 5.795 244 1HE LYS 32 1HE LYS 32 2.055 0.444 6.759 245 2HE LYS 32 2HE LYS 32 0.855 0.646 7.987 246 1HZ LYS 32 1HZ LYS 32 0.319 -1.860 7.564 247 2HZ LYS 32 2HZ LYS 32 1.593 -1.460 8.460 248 3HZ LYS 32 3HZ LYS 32 1.869 -1.953 6.855 249 H LYS 33 H LYS 33 -4.128 1.560 9.252 250 HA LYS 33 HA LYS 33 -3.154 1.091 11.800 251 1HB LYS 33 1HB LYS 33 -4.422 3.094 10.812 252 2HB LYS 33 2HB LYS 33 -5.877 2.159 11.072 253 1HG LYS 33 1HG LYS 33 -5.530 3.768 12.845 254 2HG LYS 33 2HG LYS 33 -5.441 2.114 13.460 255 1HD LYS 33 1HD LYS 33 -3.715 3.540 14.389 256 2HD LYS 33 2HD LYS 33 -3.014 2.217 13.479 257 1HE LYS 33 1HE LYS 33 -1.810 4.282 13.041 258 2HE LYS 33 2HE LYS 33 -2.634 3.770 11.580 259 1HZ LYS 33 1HZ LYS 33 -4.365 5.456 12.041 260 2HZ LYS 33 2HZ LYS 33 -2.839 6.143 11.939 261 3HZ LYS 33 3HZ LYS 33 -3.538 5.917 13.443 262 H LYS 34 H LYS 34 -5.703 -0.472 9.998 263 HA LYS 34 HA LYS 34 -6.933 -1.897 12.143 264 1HB LYS 34 1HB LYS 34 -7.778 -1.327 9.755 265 2HB LYS 34 2HB LYS 34 -6.765 -2.622 9.229 266 1HG LYS 34 1HG LYS 34 -9.042 -3.412 9.438 267 2HG LYS 34 2HG LYS 34 -7.986 -4.236 10.586 268 1HD LYS 34 1HD LYS 34 -10.077 -3.630 11.677 269 2HD LYS 34 2HD LYS 34 -8.721 -2.720 12.342 270 1HE LYS 34 1HE LYS 34 -10.685 -1.286 12.052 271 2HE LYS 34 2HE LYS 34 -9.351 -0.762 11.037 272 1HZ LYS 34 1HZ LYS 34 -11.714 -2.336 10.086 273 2HZ LYS 34 2HZ LYS 34 -10.445 -1.761 9.122 274 3HZ LYS 34 3HZ LYS 34 -11.461 -0.689 9.891 275 H LEU 35 H LEU 35 -4.358 -2.496 9.821 276 HA LEU 35 HA LEU 35 -3.734 -5.183 10.655 277 1HB LEU 35 1HB LEU 35 -2.328 -3.128 9.011 278 2HB LEU 35 2HB LEU 35 -1.752 -4.747 9.182 279 HG LEU 35 HG LEU 35 -4.269 -3.829 7.802 280 1HD1 LEU 35 1HD1 LEU 35 -1.766 -5.144 6.781 281 2HD1 LEU 35 2HD1 LEU 35 -2.234 -3.459 6.549 282 3HD1 LEU 35 3HD1 LEU 35 -3.187 -4.746 5.815 283 1HD2 LEU 35 1HD2 LEU 35 -3.268 -6.651 8.211 284 2HD2 LEU 35 2HD2 LEU 35 -4.619 -6.180 7.182 285 3HD2 LEU 35 3HD2 LEU 35 -4.723 -5.954 8.926 286 H GLU 36 H GLU 36 -2.346 -1.981 11.234 287 HA GLU 36 HA GLU 36 -0.130 -2.711 12.664 288 1HB GLU 36 1HB GLU 36 -1.901 -0.326 12.728 289 2HB GLU 36 2HB GLU 36 -0.409 -0.327 13.588 290 1HG GLU 36 1HG GLU 36 -0.908 -0.460 10.652 291 2HG GLU 36 2HG GLU 36 -0.054 0.824 11.519 292 H LEU 37 H LEU 37 -3.442 -2.345 13.549 293 HA LEU 37 HA LEU 37 -3.284 -2.467 16.320 294 1HB LEU 37 1HB LEU 37 -5.354 -2.042 15.041 295 2HB LEU 37 2HB LEU 37 -5.345 -3.667 14.447 296 HG LEU 37 HG LEU 37 -5.693 -4.497 16.762 297 1HD1 LEU 37 1HD1 LEU 37 -6.386 -2.916 18.494 298 2HD1 LEU 37 2HD1 LEU 37 -5.991 -1.572 17.423 299 3HD1 LEU 37 3HD1 LEU 37 -4.715 -2.657 17.993 300 1HD2 LEU 37 1HD2 LEU 37 -7.727 -2.506 15.767 301 2HD2 LEU 37 2HD2 LEU 37 -8.036 -3.805 16.916 302 3HD2 LEU 37 3HD2 LEU 37 -7.579 -4.186 15.256 303 H VAL 38 H VAL 38 -3.063 -4.996 13.895 304 HA VAL 38 HA VAL 38 -2.820 -7.117 15.870 305 HB VAL 38 HB VAL 38 -2.579 -7.246 12.849 306 1HG1 VAL 38 1HG1 VAL 38 -1.521 -9.149 13.935 307 2HG1 VAL 38 2HG1 VAL 38 -2.994 -9.653 13.107 308 3HG1 VAL 38 3HG1 VAL 38 -2.989 -9.461 14.858 309 1HG2 VAL 38 1HG2 VAL 38 -4.961 -7.820 14.599 310 2HG2 VAL 38 2HG2 VAL 38 -4.877 -8.100 12.860 311 3HG2 VAL 38 3HG2 VAL 38 -4.779 -6.457 13.498 312 H VAL 39 H VAL 39 -0.850 -5.272 13.647 313 HA VAL 39 HA VAL 39 1.541 -6.895 14.004 314 HB VAL 39 HB VAL 39 1.294 -4.128 12.762 315 1HG1 VAL 39 1HG1 VAL 39 3.493 -6.176 12.505 316 2HG1 VAL 39 2HG1 VAL 39 3.590 -4.653 13.387 317 3HG1 VAL 39 3HG1 VAL 39 3.401 -4.648 11.632 318 1HG2 VAL 39 1HG2 VAL 39 1.273 -6.838 11.439 319 2HG2 VAL 39 2HG2 VAL 39 1.294 -5.288 10.600 320 3HG2 VAL 39 3HG2 VAL 39 -0.101 -5.741 11.584 321 H GLY 40 H GLY 40 0.184 -4.195 15.657 322 1HA GLY 40 1HA GLY 40 0.797 -3.416 17.733 323 2HA GLY 40 2HA GLY 40 2.169 -4.519 17.708 324 H THR 41 H THR 41 1.974 -2.695 14.895 325 HA THR 41 HA THR 41 4.015 -0.877 15.960 326 HB THR 41 HB THR 41 3.642 -1.809 13.084 327 HG1 THR 41 HG1 THR 41 4.242 -3.429 14.787 328 1HG2 THR 41 1HG2 THR 41 4.961 0.264 13.268 329 2HG2 THR 41 2HG2 THR 41 6.010 -1.081 12.826 330 3HG2 THR 41 3HG2 THR 41 5.991 -0.491 14.484 331 H THR 42 H THR 42 4.024 1.186 14.294 332 HA THR 42 HA THR 42 1.260 1.989 13.779 333 HB THR 42 HB THR 42 3.402 3.874 14.670 334 HG1 THR 42 HG1 THR 42 2.036 1.971 16.141 335 1HG2 THR 42 1HG2 THR 42 0.381 3.986 14.849 336 2HG2 THR 42 2HG2 THR 42 1.390 4.841 13.687 337 3HG2 THR 42 3HG2 THR 42 1.483 5.249 15.399 338 H VAL 43 H VAL 43 1.310 3.835 12.207 339 HA VAL 43 HA VAL 43 2.695 2.923 9.906 340 HB VAL 43 HB VAL 43 1.075 5.474 10.168 341 1HG1 VAL 43 1HG1 VAL 43 2.467 5.475 8.177 342 2HG1 VAL 43 2HG1 VAL 43 0.763 5.301 7.745 343 3HG1 VAL 43 3HG1 VAL 43 1.829 3.897 7.712 344 1HG2 VAL 43 1HG2 VAL 43 -0.239 3.521 10.811 345 2HG2 VAL 43 2HG2 VAL 43 0.207 2.711 9.309 346 3HG2 VAL 43 3HG2 VAL 43 -0.797 4.158 9.262 347 H ASP 44 H ASP 44 3.328 5.473 12.167 348 HA ASP 44 HA ASP 44 5.110 7.063 10.687 349 1HB ASP 44 1HB ASP 44 4.247 7.779 12.867 350 2HB ASP 44 2HB ASP 44 5.160 6.482 13.638 351 H SER 45 H SER 45 5.664 4.024 12.431 352 HA SER 45 HA SER 45 8.492 4.150 11.971 353 1HB SER 45 1HB SER 45 6.658 2.224 13.325 354 2HB SER 45 2HB SER 45 8.418 2.181 13.295 355 HG SER 45 HG SER 45 7.054 3.326 15.109 356 H MET 46 H MET 46 5.955 3.444 10.151 357 HA MET 46 HA MET 46 6.913 0.849 9.148 358 1HB MET 46 1HB MET 46 4.623 0.952 10.084 359 2HB MET 46 2HB MET 46 4.233 2.170 8.888 360 1HG MET 46 1HG MET 46 3.348 0.074 8.216 361 2HG MET 46 2HG MET 46 4.643 0.535 7.107 362 1HE MET 46 1HE MET 46 4.948 -2.745 10.344 363 2HE MET 46 2HE MET 46 3.485 -1.815 10.018 364 3HE MET 46 3HE MET 46 4.884 -1.031 10.748 365 H ARG 47 H ARG 47 7.604 0.721 7.119 366 HA ARG 47 HA ARG 47 7.026 2.891 5.236 367 1HB ARG 47 1HB ARG 47 9.379 0.984 5.343 368 2HB ARG 47 2HB ARG 47 8.927 1.786 3.853 369 1HG ARG 47 1HG ARG 47 10.767 2.918 5.022 370 2HG ARG 47 2HG ARG 47 9.350 3.952 4.836 371 1HD ARG 47 1HD ARG 47 8.708 3.455 7.106 372 2HD ARG 47 2HD ARG 47 10.105 2.403 7.276 373 HE ARG 47 HE ARG 47 11.385 4.574 6.734 374 1HH1 ARG 47 1HH1 ARG 47 8.317 4.485 8.478 375 2HH1 ARG 47 2HH1 ARG 47 8.693 5.770 9.520 376 1HH2 ARG 47 1HH2 ARG 47 11.918 6.392 8.172 377 2HH2 ARG 47 2HH2 ARG 47 10.775 6.860 9.337 378 H ILE 48 H ILE 48 6.325 2.347 3.186 379 HA ILE 48 HA ILE 48 5.098 -0.319 3.095 380 HB ILE 48 HB ILE 48 3.655 2.249 2.322 381 1HG1 ILE 48 1HG1 ILE 48 1.963 1.464 4.088 382 2HG1 ILE 48 2HG1 ILE 48 3.200 0.360 4.641 383 1HG2 ILE 48 1HG2 ILE 48 2.678 -0.592 2.239 384 2HG2 ILE 48 2HG2 ILE 48 3.090 0.390 0.851 385 3HG2 ILE 48 3HG2 ILE 48 1.711 0.831 1.866 386 1HD1 ILE 48 1HD1 ILE 48 3.071 2.330 6.031 387 2HD1 ILE 48 2HD1 ILE 48 3.380 3.370 4.640 388 3HD1 ILE 48 3HD1 ILE 48 4.632 2.261 5.216 389 H GLN 49 H GLN 49 5.621 -1.352 1.344 390 HA GLN 49 HA GLN 49 6.472 0.220 -0.933 391 1HB GLN 49 1HB GLN 49 7.419 -2.512 -0.117 392 2HB GLN 49 2HB GLN 49 7.798 -1.783 -1.670 393 1HG GLN 49 1HG GLN 49 9.650 -1.428 -0.281 394 2HG GLN 49 2HG GLN 49 8.825 0.120 -0.406 395 1HE2 GLN 49 1HE2 GLN 49 9.530 0.982 1.475 396 2HE2 GLN 49 2HE2 GLN 49 9.124 0.314 3.004 397 H LEU 50 H LEU 50 5.751 -0.284 -2.942 398 HA LEU 50 HA LEU 50 3.474 -2.192 -3.053 399 1HB LEU 50 1HB LEU 50 3.089 0.272 -3.774 400 2HB LEU 50 2HB LEU 50 4.166 -0.053 -5.094 401 HG LEU 50 HG LEU 50 1.462 -1.422 -4.734 402 1HD1 LEU 50 1HD1 LEU 50 1.198 0.964 -5.026 403 2HD1 LEU 50 2HD1 LEU 50 0.690 0.083 -6.468 404 3HD1 LEU 50 3HD1 LEU 50 2.245 0.915 -6.445 405 1HD2 LEU 50 1HD2 LEU 50 3.067 -2.668 -6.162 406 2HD2 LEU 50 2HD2 LEU 50 3.260 -1.226 -7.162 407 3HD2 LEU 50 3HD2 LEU 50 1.696 -2.030 -7.065 408 H PHE 51 H PHE 51 3.925 -4.081 -3.851 409 HA PHE 51 HA PHE 51 5.902 -4.311 -5.982 410 1HB PHE 51 1HB PHE 51 4.835 -6.342 -4.011 411 2HB PHE 51 2HB PHE 51 5.786 -6.796 -5.420 412 HD1 PHE 51 HD1 PHE 51 8.147 -6.407 -5.478 413 HD2 PHE 51 HD2 PHE 51 5.843 -5.154 -2.131 414 HE1 PHE 51 HE1 PHE 51 10.212 -6.084 -4.191 415 HE2 PHE 51 HE2 PHE 51 7.913 -4.825 -0.837 416 HZ PHE 51 HZ PHE 51 10.096 -5.292 -1.866 417 H ASP 52 H ASP 52 5.264 -5.141 -7.869 418 HA ASP 52 HA ASP 52 2.408 -4.925 -8.379 419 1HB ASP 52 1HB ASP 52 4.248 -3.934 -9.789 420 2HB ASP 52 2HB ASP 52 4.601 -5.555 -10.375 421 H GLY 53 H GLY 53 2.169 -6.606 -10.422 422 1HA GLY 53 1HA GLY 53 1.805 -9.153 -9.038 423 2HA GLY 53 2HA GLY 53 1.197 -8.756 -10.646 424 H ASP 54 H ASP 54 3.985 -7.678 -11.212 425 HA ASP 54 HA ASP 54 4.980 -10.061 -12.328 426 1HB ASP 54 1HB ASP 54 6.880 -8.645 -13.147 427 2HB ASP 54 2HB ASP 54 5.329 -8.018 -13.634 428 H ASP 55 H ASP 55 6.857 -7.829 -10.253 429 HA ASP 55 HA ASP 55 7.386 -9.624 -8.217 430 1HB ASP 55 1HB ASP 55 8.617 -10.925 -9.841 431 2HB ASP 55 2HB ASP 55 9.510 -9.509 -10.356 432 H GLN 56 H GLN 56 8.600 -6.960 -10.185 433 HA GLN 56 HA GLN 56 10.268 -6.094 -8.036 434 1HB GLN 56 1HB GLN 56 11.011 -4.311 -9.563 435 2HB GLN 56 2HB GLN 56 11.289 -5.936 -10.151 436 1HG GLN 56 1HG GLN 56 9.218 -5.673 -11.524 437 2HG GLN 56 2HG GLN 56 9.183 -3.990 -11.021 438 1HE2 GLN 56 1HE2 GLN 56 9.457 -3.281 -13.136 439 2HE2 GLN 56 2HE2 GLN 56 10.954 -3.421 -13.976 440 H LEU 57 H LEU 57 10.362 -4.206 -7.075 441 HA LEU 57 HA LEU 57 7.925 -3.182 -6.059 442 1HB LEU 57 1HB LEU 57 10.016 -3.527 -4.771 443 2HB LEU 57 2HB LEU 57 10.805 -2.306 -5.725 444 HG LEU 57 HG LEU 57 8.464 -1.661 -3.899 445 1HD1 LEU 57 1HD1 LEU 57 11.431 -1.604 -3.325 446 2HD1 LEU 57 2HD1 LEU 57 10.269 -2.719 -2.601 447 3HD1 LEU 57 3HD1 LEU 57 10.168 -0.988 -2.266 448 1HD2 LEU 57 1HD2 LEU 57 9.436 0.544 -3.887 449 2HD2 LEU 57 2HD2 LEU 57 9.055 0.064 -5.549 450 3HD2 LEU 57 3HD2 LEU 57 10.729 0.025 -4.967 451 H LYS 58 H LYS 58 6.771 -1.669 -6.785 452 HA LYS 58 HA LYS 58 7.588 -0.137 -9.092 453 1HB LYS 58 1HB LYS 58 5.021 -0.358 -7.566 454 2HB LYS 58 2HB LYS 58 5.223 0.721 -8.935 455 1HG LYS 58 1HG LYS 58 5.665 -2.266 -9.068 456 2HG LYS 58 2HG LYS 58 4.133 -1.486 -9.475 457 1HD LYS 58 1HD LYS 58 5.164 -0.261 -11.264 458 2HD LYS 58 2HD LYS 58 6.764 -0.821 -10.804 459 1HE LYS 58 1HE LYS 58 4.517 -2.614 -11.724 460 2HE LYS 58 2HE LYS 58 5.783 -1.995 -12.780 461 1HZ LYS 58 1HZ LYS 58 6.196 -4.285 -11.965 462 2HZ LYS 58 2HZ LYS 58 6.371 -3.709 -10.382 463 3HZ LYS 58 3HZ LYS 58 7.403 -3.188 -11.611 464 H GLY 59 H GLY 59 6.644 0.479 -5.744 465 1HA GLY 59 1HA GLY 59 8.329 2.762 -5.676 466 2HA GLY 59 2HA GLY 59 6.644 3.219 -5.860 467 H GLU 60 H GLU 60 7.987 4.117 -3.816 468 HA GLU 60 HA GLU 60 7.219 2.630 -1.374 469 1HB GLU 60 1HB GLU 60 9.539 3.588 -1.621 470 2HB GLU 60 2HB GLU 60 8.826 5.161 -1.890 471 1HG GLU 60 1HG GLU 60 9.636 5.129 0.331 472 2HG GLU 60 2HG GLU 60 7.888 5.023 0.432 473 H LEU 61 H LEU 61 5.401 3.098 -0.567 474 HA LEU 61 HA LEU 61 3.880 5.377 -1.573 475 1HB LEU 61 1HB LEU 61 3.042 3.266 0.391 476 2HB LEU 61 2HB LEU 61 2.002 4.461 -0.351 477 HG LEU 61 HG LEU 61 1.587 2.380 -1.300 478 1HD1 LEU 61 1HD1 LEU 61 1.577 4.172 -2.925 479 2HD1 LEU 61 2HD1 LEU 61 2.103 2.668 -3.673 480 3HD1 LEU 61 3HD1 LEU 61 3.290 3.902 -3.244 481 1HD2 LEU 61 1HD2 LEU 61 4.440 2.015 -2.111 482 2HD2 LEU 61 2HD2 LEU 61 3.112 0.798 -2.070 483 3HD2 LEU 61 3HD2 LEU 61 3.777 1.445 -0.608 484 H THR 62 H THR 62 3.362 4.450 1.449 485 HA THR 62 HA THR 62 3.486 5.213 3.541 486 HB THR 62 HB THR 62 5.988 5.789 3.099 487 HG1 THR 62 HG1 THR 62 4.318 6.925 5.060 488 1HG2 THR 62 1HG2 THR 62 4.876 8.615 3.061 489 2HG2 THR 62 2HG2 THR 62 5.628 7.801 1.689 490 3HG2 THR 62 3HG2 THR 62 6.586 8.179 3.119 491 H ASP 63 H ASP 63 2.069 6.803 1.154 492 HA ASP 63 HA ASP 63 1.037 8.970 2.841 493 1HB ASP 63 1HB ASP 63 0.324 8.393 -0.045 494 2HB ASP 63 2HB ASP 63 -0.148 9.748 0.892 495 H GLY 64 H GLY 64 -0.761 8.692 3.893 496 1HA GLY 64 1HA GLY 64 -2.696 6.851 2.746 497 2HA GLY 64 2HA GLY 64 -2.374 6.684 4.447 498 H ALA 65 H ALA 65 -2.339 9.866 3.083 499 HA ALA 65 HA ALA 65 -4.905 10.354 4.337 500 1HB ALA 65 1HB ALA 65 -3.121 12.277 2.818 501 2HB ALA 65 2HB ALA 65 -3.095 12.037 4.564 502 3HB ALA 65 3HB ALA 65 -4.527 12.707 3.792 503 H LYS 66 H LYS 66 -3.652 9.337 1.459 504 HA LYS 66 HA LYS 66 -6.021 10.137 -0.061 505 1HB LYS 66 1HB LYS 66 -4.651 9.599 -2.065 506 2HB LYS 66 2HB LYS 66 -3.954 10.885 -1.084 507 1HG LYS 66 1HG LYS 66 -2.374 9.284 -0.110 508 2HG LYS 66 2HG LYS 66 -3.074 8.003 -1.097 509 1HD LYS 66 1HD LYS 66 -1.018 8.827 -2.105 510 2HD LYS 66 2HD LYS 66 -2.395 9.219 -3.129 511 1HE LYS 66 1HE LYS 66 -2.363 11.516 -2.243 512 2HE LYS 66 2HE LYS 66 -0.998 11.081 -1.216 513 1HZ LYS 66 1HZ LYS 66 0.310 10.641 -3.196 514 2HZ LYS 66 2HZ LYS 66 -0.275 12.205 -3.229 515 3HZ LYS 66 3HZ LYS 66 -0.995 11.022 -4.182 516 H SER 67 H SER 67 -6.474 8.207 -1.842 517 HA SER 67 HA SER 67 -7.109 5.951 -0.227 518 1HB SER 67 1HB SER 67 -7.498 6.350 -3.161 519 2HB SER 67 2HB SER 67 -8.464 5.412 -2.040 520 HG SER 67 HG SER 67 -9.106 7.628 -2.836 521 H LEU 68 H LEU 68 -6.533 3.818 -1.091 522 HA LEU 68 HA LEU 68 -3.870 3.739 -2.093 523 1HB LEU 68 1HB LEU 68 -5.896 1.563 -1.781 524 2HB LEU 68 2HB LEU 68 -4.305 1.285 -2.431 525 HG LEU 68 HG LEU 68 -5.062 2.074 0.373 526 1HD1 LEU 68 1HD1 LEU 68 -3.829 0.065 0.940 527 2HD1 LEU 68 2HD1 LEU 68 -3.546 -0.247 -0.776 528 3HD1 LEU 68 3HD1 LEU 68 -5.191 -0.274 -0.128 529 1HD2 LEU 68 1HD2 LEU 68 -2.321 2.001 -0.858 530 2HD2 LEU 68 2HD2 LEU 68 -2.672 2.084 0.867 531 3HD2 LEU 68 3HD2 LEU 68 -3.166 3.410 -0.187 532 H LYS 69 H LYS 69 -6.920 3.841 -3.445 533 HA LYS 69 HA LYS 69 -6.417 2.828 -6.050 534 1HB LYS 69 1HB LYS 69 -8.674 3.373 -5.123 535 2HB LYS 69 2HB LYS 69 -8.286 5.072 -5.268 536 1HG LYS 69 1HG LYS 69 -8.069 4.820 -7.701 537 2HG LYS 69 2HG LYS 69 -8.514 3.118 -7.555 538 1HD LYS 69 1HD LYS 69 -10.675 3.816 -6.549 539 2HD LYS 69 2HD LYS 69 -10.220 5.499 -6.814 540 1HE LYS 69 1HE LYS 69 -10.054 5.032 -9.238 541 2HE LYS 69 2HE LYS 69 -10.579 3.384 -8.926 542 1HZ LYS 69 1HZ LYS 69 -12.443 4.726 -9.625 543 2HZ LYS 69 2HZ LYS 69 -12.150 5.849 -8.436 544 3HZ LYS 69 3HZ LYS 69 -12.687 4.318 -8.008 545 H ASP 70 H ASP 70 -6.147 6.011 -4.580 546 HA ASP 70 HA ASP 70 -5.253 7.477 -6.826 547 1HB ASP 70 1HB ASP 70 -6.161 8.379 -4.657 548 2HB ASP 70 2HB ASP 70 -4.629 7.983 -3.932 549 H LEU 71 H LEU 71 -3.676 5.598 -4.418 550 HA LEU 71 HA LEU 71 -0.973 6.261 -5.166 551 1HB LEU 71 1HB LEU 71 -2.054 3.957 -3.557 552 2HB LEU 71 2HB LEU 71 -0.353 4.175 -3.881 553 HG LEU 71 HG LEU 71 -2.098 6.056 -2.213 554 1HD1 LEU 71 1HD1 LEU 71 -1.584 3.947 -1.162 555 2HD1 LEU 71 2HD1 LEU 71 -0.775 5.309 -0.392 556 3HD1 LEU 71 3HD1 LEU 71 0.131 4.223 -1.446 557 1HD2 LEU 71 1HD2 LEU 71 0.840 6.134 -2.894 558 2HD2 LEU 71 2HD2 LEU 71 0.025 7.154 -1.727 559 3HD2 LEU 71 3HD2 LEU 71 -0.375 7.289 -3.444 560 H GLY 72 H GLY 72 -3.276 4.391 -6.656 561 1HA GLY 72 1HA GLY 72 -2.957 3.448 -8.807 562 2HA GLY 72 2HA GLY 72 -1.245 3.302 -8.456 563 H VAL 73 H VAL 73 -3.269 2.253 -5.943 564 HA VAL 73 HA VAL 73 -2.464 -0.481 -6.484 565 HB VAL 73 HB VAL 73 -3.801 0.707 -4.079 566 1HG1 VAL 73 1HG1 VAL 73 -2.450 -1.972 -4.434 567 2HG1 VAL 73 2HG1 VAL 73 -4.178 -1.691 -4.228 568 3HG1 VAL 73 3HG1 VAL 73 -3.065 -1.351 -2.903 569 1HG2 VAL 73 1HG2 VAL 73 -1.586 0.597 -2.978 570 2HG2 VAL 73 2HG2 VAL 73 -1.606 1.697 -4.361 571 3HG2 VAL 73 3HG2 VAL 73 -0.881 0.096 -4.515 572 H ARG 74 H ARG 74 -3.826 -1.733 -7.458 573 HA ARG 74 HA ARG 74 -6.735 -1.419 -7.078 574 1HB ARG 74 1HB ARG 74 -5.319 -2.757 -9.394 575 2HB ARG 74 2HB ARG 74 -7.032 -2.465 -9.220 576 1HG ARG 74 1HG ARG 74 -6.667 -0.069 -9.426 577 2HG ARG 74 2HG ARG 74 -4.932 -0.356 -9.602 578 1HD ARG 74 1HD ARG 74 -7.111 -1.345 -11.434 579 2HD ARG 74 2HD ARG 74 -5.943 -0.079 -11.796 580 HE ARG 74 HE ARG 74 -4.887 -2.719 -11.137 581 1HH1 ARG 74 1HH1 ARG 74 -5.680 -0.439 -13.713 582 2HH1 ARG 74 2HH1 ARG 74 -4.697 -1.214 -14.873 583 1HH2 ARG 74 1HH2 ARG 74 -3.583 -3.762 -12.701 584 2HH2 ARG 74 2HH2 ARG 74 -3.482 -3.136 -14.297 585 H ASP 75 H ASP 75 -7.397 -3.920 -8.107 586 HA ASP 75 HA ASP 75 -6.788 -5.655 -5.924 587 1HB ASP 75 1HB ASP 75 -7.941 -6.434 -8.598 588 2HB ASP 75 2HB ASP 75 -7.986 -7.366 -7.130 589 H GLY 76 H GLY 76 -5.563 -7.378 -5.912 590 1HA GLY 76 1HA GLY 76 -4.104 -9.051 -6.689 591 2HA GLY 76 2HA GLY 76 -4.117 -8.282 -8.263 592 H TYR 77 H TYR 77 -3.404 -5.965 -5.944 593 HA TYR 77 HA TYR 77 -0.586 -6.200 -6.627 594 1HB TYR 77 1HB TYR 77 -2.150 -3.921 -5.463 595 2HB TYR 77 2HB TYR 77 -0.389 -3.929 -5.465 596 HD1 TYR 77 HD1 TYR 77 0.817 -4.019 -7.619 597 HD2 TYR 77 HD2 TYR 77 -3.357 -3.407 -7.424 598 HE1 TYR 77 HE1 TYR 77 0.852 -3.163 -9.925 599 HE2 TYR 77 HE2 TYR 77 -3.339 -2.540 -9.729 600 HH TYR 77 HH TYR 77 -1.730 -1.493 -11.243 601 H ARG 78 H ARG 78 1.144 -6.087 -5.150 602 HA ARG 78 HA ARG 78 0.450 -7.359 -2.674 603 1HB ARG 78 1HB ARG 78 1.836 -8.489 -4.331 604 2HB ARG 78 2HB ARG 78 2.926 -7.121 -4.342 605 1HG ARG 78 1HG ARG 78 3.463 -7.579 -2.002 606 2HG ARG 78 2HG ARG 78 2.404 -8.998 -2.067 607 1HD ARG 78 1HD ARG 78 4.829 -8.491 -3.779 608 2HD ARG 78 2HD ARG 78 4.654 -9.637 -2.452 609 HE ARG 78 HE ARG 78 2.731 -10.500 -3.954 610 1HH1 ARG 78 1HH1 ARG 78 6.015 -9.590 -4.930 611 2HH1 ARG 78 2HH1 ARG 78 6.007 -10.517 -6.368 612 1HH2 ARG 78 1HH2 ARG 78 2.723 -11.751 -5.982 613 2HH2 ARG 78 2HH2 ARG 78 4.100 -11.767 -6.983 614 H ILE 79 H ILE 79 0.610 -6.077 -0.987 615 HA ILE 79 HA ILE 79 2.233 -3.640 -1.156 616 HB ILE 79 HB ILE 79 -0.154 -4.264 0.601 617 1HG1 ILE 79 1HG1 ILE 79 -0.823 -3.784 -1.699 618 2HG1 ILE 79 2HG1 ILE 79 -1.295 -2.464 -0.636 619 1HG2 ILE 79 1HG2 ILE 79 1.416 -2.895 1.825 620 2HG2 ILE 79 2HG2 ILE 79 -0.011 -1.954 1.399 621 3HG2 ILE 79 3HG2 ILE 79 1.486 -1.744 0.490 622 1HD1 ILE 79 1HD1 ILE 79 0.625 -1.159 -1.424 623 2HD1 ILE 79 2HD1 ILE 79 -0.446 -1.628 -2.741 624 3HD1 ILE 79 3HD1 ILE 79 1.074 -2.481 -2.503 625 H HIS 80 H HIS 80 3.942 -3.614 0.022 626 HA HIS 80 HA HIS 80 4.260 -5.637 2.121 627 1HB HIS 80 1HB HIS 80 5.883 -5.915 0.348 628 2HB HIS 80 2HB HIS 80 6.284 -4.203 0.394 629 HD1 HIS 80 HD1 HIS 80 6.644 -7.338 2.516 630 HD2 HIS 80 HD2 HIS 80 8.239 -3.547 2.046 631 HE1 HIS 80 HE1 HIS 80 8.472 -7.235 4.187 632 HE2 HIS 80 HE2 HIS 80 9.705 -5.109 3.576 633 H ALA 81 H ALA 81 4.709 -5.011 4.128 634 HA ALA 81 HA ALA 81 5.246 -2.168 4.570 635 1HB ALA 81 1HB ALA 81 3.527 -4.010 6.230 636 2HB ALA 81 2HB ALA 81 2.940 -2.706 5.200 637 3HB ALA 81 3HB ALA 81 3.917 -2.336 6.620 638 H VAL 82 H VAL 82 6.946 -1.747 5.781 639 HA VAL 82 HA VAL 82 8.036 -3.918 7.344 640 HB VAL 82 HB VAL 82 9.255 -3.881 5.237 641 1HG1 VAL 82 1HG1 VAL 82 9.938 -1.023 5.856 642 2HG1 VAL 82 2HG1 VAL 82 8.926 -1.602 4.531 643 3HG1 VAL 82 3HG1 VAL 82 10.650 -1.972 4.553 644 1HG2 VAL 82 1HG2 VAL 82 11.555 -3.588 6.081 645 2HG2 VAL 82 2HG2 VAL 82 10.546 -4.494 7.206 646 3HG2 VAL 82 3HG2 VAL 82 10.909 -2.795 7.515 647 H ASP 83 H ASP 83 8.622 -3.253 9.388 648 HA ASP 83 HA ASP 83 8.418 -0.462 9.857 649 1HB ASP 83 1HB ASP 83 8.082 -1.060 12.070 650 2HB ASP 83 2HB ASP 83 6.973 -2.027 11.101 651 H VAL 84 H VAL 84 9.998 0.620 10.765 652 HA VAL 84 HA VAL 84 12.629 -0.619 10.719 653 HB VAL 84 HB VAL 84 13.462 1.680 10.768 654 1HG1 VAL 84 1HG1 VAL 84 13.022 0.627 8.608 655 2HG1 VAL 84 2HG1 VAL 84 12.643 2.348 8.513 656 3HG1 VAL 84 3HG1 VAL 84 11.345 1.162 8.675 657 1HG2 VAL 84 1HG2 VAL 84 11.920 3.576 10.513 658 2HG2 VAL 84 2HG2 VAL 84 11.654 2.718 12.042 659 3HG2 VAL 84 3HG2 VAL 84 10.557 2.467 10.683 660 H THR 85 H THR 85 10.329 -0.295 12.965 661 HA THR 85 HA THR 85 12.058 0.765 15.035 662 HB THR 85 HB THR 85 9.809 1.639 14.936 663 HG1 THR 85 HG1 THR 85 9.452 0.296 17.301 664 1HG2 THR 85 1HG2 THR 85 7.851 0.275 15.588 665 2HG2 THR 85 2HG2 THR 85 8.887 -1.153 15.600 666 3HG2 THR 85 3HG2 THR 85 8.599 -0.285 14.092 667 H GLY 86 H GLY 86 10.565 -2.244 14.120 668 1HA GLY 86 1HA GLY 86 11.662 -3.506 16.519 669 2HA GLY 86 2HA GLY 86 10.515 -4.230 15.396 670 H GLY 87 H GLY 87 12.725 -2.716 13.595 671 1HA GLY 87 1HA GLY 87 14.699 -3.396 12.517 672 2HA GLY 87 2HA GLY 87 14.765 -4.767 13.625 673 H ASN 88 H ASN 88 15.357 -5.251 11.038 674 HA ASN 88 HA ASN 88 13.022 -6.082 9.649 675 1HB ASN 88 1HB ASN 88 15.056 -5.225 8.503 676 2HB ASN 88 2HB ASN 88 15.937 -6.626 9.100 677 1HD2 ASN 88 1HD2 ASN 88 12.599 -6.737 8.003 678 2HD2 ASN 88 2HD2 ASN 88 12.847 -7.699 6.651 679 H GLU 89 H GLU 89 12.205 -8.047 9.614 680 HA GLU 89 HA GLU 89 11.773 -10.170 9.947 681 1HB GLU 89 1HB GLU 89 14.731 -10.482 10.323 682 2HB GLU 89 2HB GLU 89 13.594 -11.815 10.145 683 1HG GLU 89 1HG GLU 89 13.028 -11.005 7.919 684 2HG GLU 89 2HG GLU 89 14.167 -9.677 8.119 685 H ASP 90 H ASP 90 10.565 -9.848 11.693 686 HA ASP 90 HA ASP 90 11.799 -10.687 14.204 687 1HB ASP 90 1HB ASP 90 10.724 -8.503 14.463 688 2HB ASP 90 2HB ASP 90 9.233 -9.132 13.773 Start of MODEL 18 1 H MET 1 H MET 1 -16.839 4.985 -3.749 2 HA MET 1 HA MET 1 -19.652 4.259 -4.297 3 1HB MET 1 1HB MET 1 -17.124 3.775 -5.918 4 2HB MET 1 2HB MET 1 -18.710 3.166 -6.323 5 1HG MET 1 1HG MET 1 -18.228 5.002 -7.751 6 2HG MET 1 2HG MET 1 -19.457 5.534 -6.608 7 1HE MET 1 1HE MET 1 -17.384 8.792 -7.275 8 2HE MET 1 2HE MET 1 -18.989 8.056 -7.277 9 3HE MET 1 3HE MET 1 -17.768 7.513 -8.429 10 H THR 2 H THR 2 -19.725 1.777 -4.634 11 HA THR 2 HA THR 2 -18.281 0.478 -2.539 12 HB THR 2 HB THR 2 -19.911 -0.697 -4.828 13 HG1 THR 2 HG1 THR 2 -20.609 0.352 -2.313 14 1HG2 THR 2 1HG2 THR 2 -20.170 -2.637 -3.334 15 2HG2 THR 2 2HG2 THR 2 -19.150 -1.839 -2.134 16 3HG2 THR 2 3HG2 THR 2 -18.468 -2.328 -3.684 17 H GLU 3 H GLU 3 -16.184 0.001 -2.842 18 HA GLU 3 HA GLU 3 -15.185 -0.951 -5.379 19 1HB GLU 3 1HB GLU 3 -15.361 1.473 -5.678 20 2HB GLU 3 2HB GLU 3 -14.424 1.719 -4.224 21 1HG GLU 3 1HG GLU 3 -12.501 0.722 -5.291 22 2HG GLU 3 2HG GLU 3 -13.446 0.429 -6.748 23 H VAL 4 H VAL 4 -13.958 -2.531 -4.740 24 HA VAL 4 HA VAL 4 -12.372 -2.234 -2.312 25 HB VAL 4 HB VAL 4 -12.751 -4.678 -1.882 26 1HG1 VAL 4 1HG1 VAL 4 -13.943 -2.954 -0.611 27 2HG1 VAL 4 2HG1 VAL 4 -14.973 -4.361 -0.887 28 3HG1 VAL 4 3HG1 VAL 4 -15.195 -2.904 -1.855 29 1HG2 VAL 4 1HG2 VAL 4 -13.518 -5.290 -4.132 30 2HG2 VAL 4 2HG2 VAL 4 -14.947 -4.293 -3.903 31 3HG2 VAL 4 3HG2 VAL 4 -14.715 -5.730 -2.910 32 H TYR 5 H TYR 5 -10.585 -3.416 -2.137 33 HA TYR 5 HA TYR 5 -9.232 -4.205 -4.621 34 1HB TYR 5 1HB TYR 5 -8.571 -1.985 -3.903 35 2HB TYR 5 2HB TYR 5 -8.434 -2.505 -2.246 36 HD1 TYR 5 HD1 TYR 5 -6.820 -5.031 -3.942 37 HD2 TYR 5 HD2 TYR 5 -6.377 -0.924 -3.065 38 HE1 TYR 5 HE1 TYR 5 -4.400 -5.251 -4.184 39 HE2 TYR 5 HE2 TYR 5 -3.955 -1.128 -3.309 40 HH TYR 5 HH TYR 5 -2.556 -3.822 -4.704 41 H ASP 6 H ASP 6 -8.428 -6.322 -4.410 42 HA ASP 6 HA ASP 6 -8.286 -7.587 -1.756 43 1HB ASP 6 1HB ASP 6 -7.494 -8.753 -4.417 44 2HB ASP 6 2HB ASP 6 -7.723 -9.631 -2.932 45 H LEU 7 H LEU 7 -6.430 -7.301 -0.699 46 HA LEU 7 HA LEU 7 -4.003 -6.713 -2.218 47 1HB LEU 7 1HB LEU 7 -4.631 -6.295 0.698 48 2HB LEU 7 2HB LEU 7 -3.122 -5.929 -0.083 49 HG LEU 7 HG LEU 7 -4.399 -4.190 -1.434 50 1HD1 LEU 7 1HD1 LEU 7 -6.479 -3.365 -0.408 51 2HD1 LEU 7 2HD1 LEU 7 -6.529 -4.838 0.591 52 3HD1 LEU 7 3HD1 LEU 7 -6.630 -4.948 -1.155 53 1HD2 LEU 7 1HD2 LEU 7 -4.314 -3.869 1.543 54 2HD2 LEU 7 2HD2 LEU 7 -4.308 -2.568 0.335 55 3HD2 LEU 7 3HD2 LEU 7 -2.948 -3.687 0.451 56 H GLU 8 H GLU 8 -2.144 -7.839 -1.711 57 HA GLU 8 HA GLU 8 -2.457 -10.112 0.134 58 1HB GLU 8 1HB GLU 8 -1.799 -10.706 -2.186 59 2HB GLU 8 2HB GLU 8 -0.360 -9.691 -2.014 60 1HG GLU 8 1HG GLU 8 0.407 -11.131 -0.184 61 2HG GLU 8 2HG GLU 8 -1.025 -12.136 -0.374 62 H ILE 9 H ILE 9 -1.675 -9.726 1.946 63 HA ILE 9 HA ILE 9 0.022 -7.381 2.331 64 HB ILE 9 HB ILE 9 -1.482 -9.053 4.338 65 1HG1 ILE 9 1HG1 ILE 9 -3.021 -7.840 2.865 66 2HG1 ILE 9 2HG1 ILE 9 -3.063 -7.164 4.487 67 1HG2 ILE 9 1HG2 ILE 9 -0.056 -6.424 4.727 68 2HG2 ILE 9 2HG2 ILE 9 0.430 -7.987 5.376 69 3HG2 ILE 9 3HG2 ILE 9 -1.062 -7.229 5.932 70 1HD1 ILE 9 1HD1 ILE 9 -1.634 -5.319 3.739 71 2HD1 ILE 9 2HD1 ILE 9 -3.126 -5.418 2.807 72 3HD1 ILE 9 3HD1 ILE 9 -1.612 -6.005 2.113 73 H THR 10 H THR 10 1.956 -7.478 3.009 74 HA THR 10 HA THR 10 3.023 -9.865 4.280 75 HB THR 10 HB THR 10 5.203 -9.403 3.069 76 HG1 THR 10 HG1 THR 10 3.467 -8.005 1.341 77 1HG2 THR 10 1HG2 THR 10 2.883 -10.398 1.417 78 2HG2 THR 10 2HG2 THR 10 3.868 -11.339 2.554 79 3HG2 THR 10 3HG2 THR 10 4.599 -10.688 1.084 80 H THR 11 H THR 11 4.815 -9.405 5.591 81 HA THR 11 HA THR 11 5.583 -6.670 6.061 82 HB THR 11 HB THR 11 4.861 -8.455 8.329 83 HG1 THR 11 HG1 THR 11 3.106 -7.218 6.650 84 1HG2 THR 11 1HG2 THR 11 4.621 -6.305 9.583 85 2HG2 THR 11 2HG2 THR 11 5.108 -5.448 8.119 86 3HG2 THR 11 3HG2 THR 11 6.224 -6.562 8.906 87 H ASN 12 H ASN 12 7.394 -6.855 7.580 88 HA ASN 12 HA ASN 12 9.305 -8.783 6.724 89 1HB ASN 12 1HB ASN 12 10.797 -7.753 8.395 90 2HB ASN 12 2HB ASN 12 10.030 -6.561 7.357 91 1HD2 ASN 12 1HD2 ASN 12 10.222 -7.852 10.617 92 2HD2 ASN 12 2HD2 ASN 12 9.361 -6.573 11.374 93 H ALA 13 H ALA 13 6.971 -8.747 9.180 94 HA ALA 13 HA ALA 13 8.302 -10.811 10.683 95 1HB ALA 13 1HB ALA 13 5.828 -9.238 11.346 96 2HB ALA 13 2HB ALA 13 7.461 -8.919 11.937 97 3HB ALA 13 3HB ALA 13 6.625 -10.401 12.406 98 H THR 14 H THR 14 6.249 -10.725 8.069 99 HA THR 14 HA THR 14 4.621 -12.982 9.023 100 HB THR 14 HB THR 14 3.182 -12.549 7.083 101 HG1 THR 14 HG1 THR 14 4.985 -11.534 5.937 102 1HG2 THR 14 1HG2 THR 14 2.206 -10.403 7.854 103 2HG2 THR 14 2HG2 THR 14 3.657 -10.107 8.818 104 3HG2 THR 14 3HG2 THR 14 2.606 -11.466 9.200 105 H ASP 15 H ASP 15 5.063 -14.902 8.246 106 HA ASP 15 HA ASP 15 6.873 -15.178 5.963 107 1HB ASP 15 1HB ASP 15 7.371 -16.549 7.918 108 2HB ASP 15 2HB ASP 15 5.748 -17.228 7.879 109 H PHE 16 H PHE 16 3.612 -15.584 6.926 110 HA PHE 16 HA PHE 16 2.898 -16.951 4.463 111 1HB PHE 16 1HB PHE 16 2.072 -17.903 6.537 112 2HB PHE 16 2HB PHE 16 1.346 -16.368 6.989 113 HD1 PHE 16 HD1 PHE 16 1.216 -19.059 4.448 114 HD2 PHE 16 HD2 PHE 16 -0.851 -15.896 6.397 115 HE1 PHE 16 HE1 PHE 16 -0.866 -19.766 3.370 116 HE2 PHE 16 HE2 PHE 16 -2.946 -16.595 5.321 117 HZ PHE 16 HZ PHE 16 -2.953 -18.537 3.803 118 HA PRO 17 HA PRO 17 1.494 -12.901 2.981 119 1HB PRO 17 1HB PRO 17 0.467 -14.344 0.671 120 2HB PRO 17 2HB PRO 17 1.764 -13.151 0.734 121 1HG PRO 17 1HG PRO 17 2.214 -15.789 0.228 122 2HG PRO 17 2HG PRO 17 3.397 -14.739 1.021 123 1HD PRO 17 1HD PRO 17 1.548 -16.758 2.217 124 2HD PRO 17 2HD PRO 17 3.231 -16.351 2.636 125 H MET 18 H MET 18 -0.419 -12.021 3.440 126 HA MET 18 HA MET 18 -2.737 -13.820 3.707 127 1HB MET 18 1HB MET 18 -2.004 -12.872 5.830 128 2HB MET 18 2HB MET 18 -2.101 -11.253 5.164 129 1HG MET 18 1HG MET 18 -4.529 -11.522 4.896 130 2HG MET 18 2HG MET 18 -4.413 -13.132 5.601 131 1HE MET 18 1HE MET 18 -6.197 -11.021 8.378 132 2HE MET 18 2HE MET 18 -6.293 -12.443 7.338 133 3HE MET 18 3HE MET 18 -6.363 -10.826 6.633 134 H GLU 19 H GLU 19 -4.476 -13.423 2.466 135 HA GLU 19 HA GLU 19 -4.405 -11.011 0.890 136 1HB GLU 19 1HB GLU 19 -6.190 -12.089 -0.488 137 2HB GLU 19 2HB GLU 19 -4.681 -12.974 -0.483 138 1HG GLU 19 1HG GLU 19 -7.060 -13.685 1.221 139 2HG GLU 19 2HG GLU 19 -6.749 -14.339 -0.386 140 H LYS 20 H LYS 20 -5.664 -9.454 1.247 141 HA LYS 20 HA LYS 20 -7.951 -9.788 3.023 142 1HB LYS 20 1HB LYS 20 -6.016 -9.381 4.445 143 2HB LYS 20 2HB LYS 20 -5.610 -7.950 3.523 144 1HG LYS 20 1HG LYS 20 -6.580 -7.395 5.616 145 2HG LYS 20 2HG LYS 20 -7.648 -6.887 4.292 146 1HD LYS 20 1HD LYS 20 -9.057 -8.857 4.725 147 2HD LYS 20 2HD LYS 20 -7.975 -9.347 6.035 148 1HE LYS 20 1HE LYS 20 -8.460 -7.264 7.204 149 2HE LYS 20 2HE LYS 20 -9.549 -6.773 5.910 150 1HZ LYS 20 1HZ LYS 20 -10.750 -7.672 7.768 151 2HZ LYS 20 2HZ LYS 20 -9.881 -9.113 7.701 152 3HZ LYS 20 3HZ LYS 20 -10.934 -8.704 6.444 153 H LYS 21 H LYS 21 -9.570 -8.417 2.503 154 HA LYS 21 HA LYS 21 -9.144 -6.700 0.191 155 1HB LYS 21 1HB LYS 21 -10.789 -8.463 0.002 156 2HB LYS 21 2HB LYS 21 -11.638 -7.857 1.412 157 1HG LYS 21 1HG LYS 21 -12.213 -5.821 0.218 158 2HG LYS 21 2HG LYS 21 -11.318 -6.383 -1.194 159 1HD LYS 21 1HD LYS 21 -13.726 -7.754 0.017 160 2HD LYS 21 2HD LYS 21 -13.748 -6.751 -1.431 161 1HE LYS 21 1HE LYS 21 -12.128 -8.341 -2.476 162 2HE LYS 21 2HE LYS 21 -12.266 -9.350 -1.047 163 1HZ LYS 21 1HZ LYS 21 -14.501 -8.634 -2.839 164 2HZ LYS 21 2HZ LYS 21 -14.605 -9.684 -1.519 165 3HZ LYS 21 3HZ LYS 21 -13.676 -10.089 -2.862 166 H TYR 22 H TYR 22 -9.399 -4.570 0.258 167 HA TYR 22 HA TYR 22 -10.742 -3.303 2.521 168 1HB TYR 22 1HB TYR 22 -8.008 -2.541 1.437 169 2HB TYR 22 2HB TYR 22 -8.966 -1.487 2.456 170 HD1 TYR 22 HD1 TYR 22 -9.521 -2.312 4.805 171 HD2 TYR 22 HD2 TYR 22 -6.548 -4.120 2.375 172 HE1 TYR 22 HE1 TYR 22 -8.472 -3.268 6.811 173 HE2 TYR 22 HE2 TYR 22 -5.495 -5.088 4.366 174 HH TYR 22 HH TYR 22 -5.371 -4.649 6.742 175 HA PRO 23 HA PRO 23 -12.551 -0.874 -0.768 176 1HB PRO 23 1HB PRO 23 -12.370 1.563 0.853 177 2HB PRO 23 2HB PRO 23 -13.803 0.703 0.298 178 1HG PRO 23 1HG PRO 23 -13.071 0.712 2.894 179 2HG PRO 23 2HG PRO 23 -13.862 -0.676 2.124 180 1HD PRO 23 1HD PRO 23 -10.974 -0.271 2.784 181 2HD PRO 23 2HD PRO 23 -11.977 -1.732 2.940 182 H ALA 24 H ALA 24 -11.704 0.148 -2.521 183 HA ALA 24 HA ALA 24 -8.947 1.041 -2.370 184 1HB ALA 24 1HB ALA 24 -10.767 1.282 -4.755 185 2HB ALA 24 2HB ALA 24 -9.892 -0.187 -4.342 186 3HB ALA 24 3HB ALA 24 -9.003 1.281 -4.749 187 H GLY 25 H GLY 25 -11.871 2.524 -1.962 188 1HA GLY 25 1HA GLY 25 -10.835 5.196 -2.567 189 2HA GLY 25 2HA GLY 25 -12.499 4.808 -2.160 190 H MET 26 H MET 26 -10.533 3.180 -0.042 191 HA MET 26 HA MET 26 -11.045 5.110 2.064 192 1HB MET 26 1HB MET 26 -11.494 2.689 2.437 193 2HB MET 26 2HB MET 26 -9.800 2.332 2.164 194 1HG MET 26 1HG MET 26 -10.066 2.209 4.477 195 2HG MET 26 2HG MET 26 -9.346 3.784 4.225 196 1HE MET 26 1HE MET 26 -12.529 6.134 4.990 197 2HE MET 26 2HE MET 26 -12.273 5.499 3.395 198 3HE MET 26 3HE MET 26 -10.889 6.117 4.326 199 H SER 27 H SER 27 -9.115 5.538 3.661 200 HA SER 27 HA SER 27 -6.943 6.494 2.076 201 1HB SER 27 1HB SER 27 -6.219 7.342 4.333 202 2HB SER 27 2HB SER 27 -7.713 8.017 3.733 203 HG SER 27 HG SER 27 -7.572 7.202 6.008 204 H LEU 28 H LEU 28 -4.883 5.817 2.133 205 HA LEU 28 HA LEU 28 -4.210 3.204 2.806 206 1HB LEU 28 1HB LEU 28 -3.048 4.980 1.322 207 2HB LEU 28 2HB LEU 28 -2.335 5.550 2.779 208 HG LEU 28 HG LEU 28 -0.756 4.153 1.487 209 1HD1 LEU 28 1HD1 LEU 28 -0.443 4.314 3.879 210 2HD1 LEU 28 2HD1 LEU 28 0.051 2.739 3.253 211 3HD1 LEU 28 3HD1 LEU 28 -1.480 2.903 4.118 212 1HD2 LEU 28 1HD2 LEU 28 -1.062 1.734 1.356 213 2HD2 LEU 28 2HD2 LEU 28 -2.320 2.601 0.479 214 3HD2 LEU 28 3HD2 LEU 28 -2.671 1.896 2.060 215 H ASN 29 H ASN 29 -4.152 6.175 4.593 216 HA ASN 29 HA ASN 29 -2.581 5.331 6.805 217 1HB ASN 29 1HB ASN 29 -4.638 7.540 6.728 218 2HB ASN 29 2HB ASN 29 -3.719 7.154 8.174 219 1HD2 ASN 29 1HD2 ASN 29 -3.750 9.612 6.710 220 2HD2 ASN 29 2HD2 ASN 29 -2.133 9.891 6.178 221 H ASP 30 H ASP 30 -5.949 4.851 6.130 222 HA ASP 30 HA ASP 30 -6.574 3.942 8.810 223 1HB ASP 30 1HB ASP 30 -8.295 4.883 7.249 224 2HB ASP 30 2HB ASP 30 -8.043 3.493 6.221 225 H LEU 31 H LEU 31 -5.878 2.513 5.764 226 HA LEU 31 HA LEU 31 -6.194 -0.246 6.499 227 1HB LEU 31 1HB LEU 31 -6.010 0.836 4.181 228 2HB LEU 31 2HB LEU 31 -4.311 0.914 4.477 229 HG LEU 31 HG LEU 31 -5.796 -1.724 4.390 230 1HD1 LEU 31 1HD1 LEU 31 -4.913 -1.933 2.161 231 2HD1 LEU 31 2HD1 LEU 31 -4.224 -0.312 2.276 232 3HD1 LEU 31 3HD1 LEU 31 -5.980 -0.534 2.285 233 1HD2 LEU 31 1HD2 LEU 31 -3.572 -2.677 4.027 234 2HD2 LEU 31 2HD2 LEU 31 -3.609 -1.789 5.550 235 3HD2 LEU 31 3HD2 LEU 31 -2.848 -1.071 4.132 236 H LYS 32 H LYS 32 -3.307 1.811 6.360 237 HA LYS 32 HA LYS 32 -1.657 -0.243 7.338 238 1HB LYS 32 1HB LYS 32 0.025 1.454 7.889 239 2HB LYS 32 2HB LYS 32 -0.618 1.691 6.275 240 1HG LYS 32 1HG LYS 32 -2.003 3.494 7.070 241 2HG LYS 32 2HG LYS 32 -1.433 3.248 8.719 242 1HD LYS 32 1HD LYS 32 0.306 4.029 6.366 243 2HD LYS 32 2HD LYS 32 -0.291 5.129 7.609 244 1HE LYS 32 1HE LYS 32 0.915 3.828 9.311 245 2HE LYS 32 2HE LYS 32 1.549 2.771 8.059 246 1HZ LYS 32 1HZ LYS 32 3.171 4.529 8.667 247 2HZ LYS 32 2HZ LYS 32 2.064 5.701 8.195 248 3HZ LYS 32 3HZ LYS 32 2.692 4.669 7.062 249 H LYS 33 H LYS 33 -3.634 2.149 9.008 250 HA LYS 33 HA LYS 33 -2.730 1.696 11.638 251 1HB LYS 33 1HB LYS 33 -4.252 3.528 10.529 252 2HB LYS 33 2HB LYS 33 -5.528 2.380 10.836 253 1HG LYS 33 1HG LYS 33 -5.516 3.934 12.622 254 2HG LYS 33 2HG LYS 33 -4.889 2.403 13.239 255 1HD LYS 33 1HD LYS 33 -3.570 4.274 14.036 256 2HD LYS 33 2HD LYS 33 -2.601 3.230 13.009 257 1HE LYS 33 1HE LYS 33 -2.165 5.584 12.532 258 2HE LYS 33 2HE LYS 33 -2.893 4.821 11.130 259 1HZ LYS 33 1HZ LYS 33 -3.829 6.982 11.532 260 2HZ LYS 33 2HZ LYS 33 -4.234 6.602 13.105 261 3HZ LYS 33 3HZ LYS 33 -5.041 5.853 11.827 262 H LYS 34 H LYS 34 -4.708 -0.258 9.451 263 HA LYS 34 HA LYS 34 -6.197 -1.631 11.466 264 1HB LYS 34 1HB LYS 34 -5.825 -1.452 8.562 265 2HB LYS 34 2HB LYS 34 -6.667 -2.836 9.045 266 1HG LYS 34 1HG LYS 34 -7.423 0.071 9.264 267 2HG LYS 34 2HG LYS 34 -8.219 -1.178 8.319 268 1HD LYS 34 1HD LYS 34 -8.199 -0.954 11.328 269 2HD LYS 34 2HD LYS 34 -9.550 -0.582 10.265 270 1HE LYS 34 1HE LYS 34 -9.574 -2.916 9.506 271 2HE LYS 34 2HE LYS 34 -8.258 -3.272 10.609 272 1HZ LYS 34 1HZ LYS 34 -9.692 -2.624 12.474 273 2HZ LYS 34 2HZ LYS 34 -10.345 -3.910 11.603 274 3HZ LYS 34 3HZ LYS 34 -10.977 -2.371 11.410 275 H LEU 35 H LEU 35 -3.611 -1.909 9.234 276 HA LEU 35 HA LEU 35 -2.985 -4.595 9.851 277 1HB LEU 35 1HB LEU 35 -2.651 -3.762 7.658 278 2HB LEU 35 2HB LEU 35 -1.727 -2.401 8.240 279 HG LEU 35 HG LEU 35 -0.059 -3.693 8.872 280 1HD1 LEU 35 1HD1 LEU 35 -1.189 -5.870 9.427 281 2HD1 LEU 35 2HD1 LEU 35 0.028 -6.242 8.206 282 3HD1 LEU 35 3HD1 LEU 35 -1.666 -6.073 7.743 283 1HD2 LEU 35 1HD2 LEU 35 -0.875 -4.268 6.037 284 2HD2 LEU 35 2HD2 LEU 35 0.767 -4.529 6.623 285 3HD2 LEU 35 3HD2 LEU 35 0.070 -2.907 6.641 286 H GLU 36 H GLU 36 -1.808 -1.396 10.922 287 HA GLU 36 HA GLU 36 0.317 -2.048 12.511 288 1HB GLU 36 1HB GLU 36 -1.898 -0.087 12.627 289 2HB GLU 36 2HB GLU 36 -0.825 -0.148 13.981 290 1HG GLU 36 1HG GLU 36 1.037 0.376 12.493 291 2HG GLU 36 2HG GLU 36 -0.076 0.412 11.125 292 H LEU 37 H LEU 37 -3.108 -2.310 13.083 293 HA LEU 37 HA LEU 37 -3.051 -2.996 15.806 294 1HB LEU 37 1HB LEU 37 -5.073 -2.248 14.526 295 2HB LEU 37 2HB LEU 37 -5.037 -3.762 13.684 296 HG LEU 37 HG LEU 37 -5.463 -4.976 15.777 297 1HD1 LEU 37 1HD1 LEU 37 -6.190 -3.754 17.765 298 2HD1 LEU 37 2HD1 LEU 37 -5.781 -2.230 16.977 299 3HD1 LEU 37 3HD1 LEU 37 -4.512 -3.399 17.353 300 1HD2 LEU 37 1HD2 LEU 37 -7.806 -4.328 15.988 301 2HD2 LEU 37 2HD2 LEU 37 -7.305 -4.345 14.295 302 3HD2 LEU 37 3HD2 LEU 37 -7.458 -2.815 15.163 303 H VAL 38 H VAL 38 -2.766 -4.899 12.889 304 HA VAL 38 HA VAL 38 -2.986 -7.425 14.247 305 HB VAL 38 HB VAL 38 -2.111 -6.834 11.403 306 1HG1 VAL 38 1HG1 VAL 38 -1.353 -9.035 12.136 307 2HG1 VAL 38 2HG1 VAL 38 -2.649 -9.185 10.945 308 3HG1 VAL 38 3HG1 VAL 38 -2.993 -9.434 12.652 309 1HG2 VAL 38 1HG2 VAL 38 -4.401 -7.477 10.781 310 2HG2 VAL 38 2HG2 VAL 38 -4.375 -6.054 11.826 311 3HG2 VAL 38 3HG2 VAL 38 -4.814 -7.627 12.489 312 H VAL 39 H VAL 39 -0.357 -5.483 12.869 313 HA VAL 39 HA VAL 39 1.574 -7.548 13.605 314 HB VAL 39 HB VAL 39 2.146 -4.855 12.345 315 1HG1 VAL 39 1HG1 VAL 39 4.239 -5.892 11.618 316 2HG1 VAL 39 2HG1 VAL 39 3.798 -7.377 12.460 317 3HG1 VAL 39 3HG1 VAL 39 4.091 -5.899 13.375 318 1HG2 VAL 39 1HG2 VAL 39 2.243 -6.054 10.199 319 2HG2 VAL 39 2HG2 VAL 39 0.633 -6.126 10.921 320 3HG2 VAL 39 3HG2 VAL 39 1.704 -7.525 11.009 321 H GLY 40 H GLY 40 0.456 -4.524 14.926 322 1HA GLY 40 1HA GLY 40 0.855 -3.893 17.127 323 2HA GLY 40 2HA GLY 40 2.269 -4.942 17.172 324 H THR 41 H THR 41 2.380 -3.392 14.322 325 HA THR 41 HA THR 41 4.579 -1.726 15.042 326 HB THR 41 HB THR 41 2.983 -1.645 12.488 327 HG1 THR 41 HG1 THR 41 5.010 -3.427 13.405 328 1HG2 THR 41 1HG2 THR 41 4.809 0.015 12.657 329 2HG2 THR 41 2HG2 THR 41 5.172 -1.197 11.433 330 3HG2 THR 41 3HG2 THR 41 5.953 -1.284 13.008 331 H THR 42 H THR 42 4.550 0.638 14.285 332 HA THR 42 HA THR 42 2.008 1.947 14.976 333 HB THR 42 HB THR 42 4.696 3.149 15.598 334 HG1 THR 42 HG1 THR 42 3.427 0.992 16.680 335 1HG2 THR 42 1HG2 THR 42 1.969 3.421 16.881 336 2HG2 THR 42 2HG2 THR 42 2.672 4.566 15.747 337 3HG2 THR 42 3HG2 THR 42 3.407 4.333 17.332 338 H VAL 43 H VAL 43 2.105 4.302 14.123 339 HA VAL 43 HA VAL 43 1.989 4.100 11.314 340 HB VAL 43 HB VAL 43 2.141 6.686 12.831 341 1HG1 VAL 43 1HG1 VAL 43 0.685 7.554 11.073 342 2HG1 VAL 43 2HG1 VAL 43 0.789 6.002 10.239 343 3HG1 VAL 43 3HG1 VAL 43 2.238 6.985 10.455 344 1HG2 VAL 43 1HG2 VAL 43 0.523 5.303 13.940 345 2HG2 VAL 43 2HG2 VAL 43 -0.241 4.912 12.405 346 3HG2 VAL 43 3HG2 VAL 43 -0.309 6.569 13.035 347 H ASP 44 H ASP 44 4.363 5.891 13.255 348 HA ASP 44 HA ASP 44 5.659 7.005 10.947 349 1HB ASP 44 1HB ASP 44 5.602 8.116 13.181 350 2HB ASP 44 2HB ASP 44 6.652 6.841 13.780 351 H SER 45 H SER 45 5.999 4.133 12.808 352 HA SER 45 HA SER 45 8.662 3.584 11.971 353 1HB SER 45 1HB SER 45 6.632 2.088 13.554 354 2HB SER 45 2HB SER 45 8.360 1.756 13.409 355 HG SER 45 HG SER 45 8.628 3.962 14.246 356 H MET 46 H MET 46 5.754 3.380 10.538 357 HA MET 46 HA MET 46 6.184 0.660 9.480 358 1HB MET 46 1HB MET 46 4.116 1.096 10.738 359 2HB MET 46 2HB MET 46 3.668 2.282 9.531 360 1HG MET 46 1HG MET 46 3.631 0.519 7.839 361 2HG MET 46 2HG MET 46 4.026 -0.663 9.093 362 1HE MET 46 1HE MET 46 0.290 -1.479 8.544 363 2HE MET 46 2HE MET 46 1.910 -2.139 8.741 364 3HE MET 46 3HE MET 46 1.535 -1.136 7.341 365 H ARG 47 H ARG 47 7.182 0.726 7.573 366 HA ARG 47 HA ARG 47 6.386 2.711 5.597 367 1HB ARG 47 1HB ARG 47 8.660 0.751 5.545 368 2HB ARG 47 2HB ARG 47 8.170 1.722 4.170 369 1HG ARG 47 1HG ARG 47 8.556 3.732 5.568 370 2HG ARG 47 2HG ARG 47 9.260 2.655 6.784 371 1HD ARG 47 1HD ARG 47 10.140 2.867 3.926 372 2HD ARG 47 2HD ARG 47 10.894 3.676 5.292 373 HE ARG 47 HE ARG 47 11.250 1.261 6.133 374 1HH1 ARG 47 1HH1 ARG 47 11.177 2.047 2.640 375 2HH1 ARG 47 2HH1 ARG 47 12.347 0.877 2.256 376 1HH2 ARG 47 1HH2 ARG 47 12.853 -0.335 5.516 377 2HH2 ARG 47 2HH2 ARG 47 13.323 -0.493 3.883 378 H ILE 48 H ILE 48 5.689 2.209 3.627 379 HA ILE 48 HA ILE 48 4.403 -0.464 3.409 380 HB ILE 48 HB ILE 48 3.259 2.187 2.472 381 1HG1 ILE 48 1HG1 ILE 48 3.173 1.972 4.923 382 2HG1 ILE 48 2HG1 ILE 48 1.563 1.911 4.232 383 1HG2 ILE 48 1HG2 ILE 48 2.596 0.353 1.017 384 2HG2 ILE 48 2HG2 ILE 48 1.219 0.918 1.962 385 3HG2 ILE 48 3HG2 ILE 48 2.045 -0.574 2.413 386 1HD1 ILE 48 1HD1 ILE 48 1.572 -0.529 4.483 387 2HD1 ILE 48 2HD1 ILE 48 1.788 0.328 6.006 388 3HD1 ILE 48 3HD1 ILE 48 3.175 -0.431 5.224 389 H GLN 49 H GLN 49 5.175 -1.539 1.699 390 HA GLN 49 HA GLN 49 6.086 -0.012 -0.627 391 1HB GLN 49 1HB GLN 49 7.054 -2.689 0.354 392 2HB GLN 49 2HB GLN 49 7.447 -2.058 -1.231 393 1HG GLN 49 1HG GLN 49 9.291 -1.667 0.188 394 2HG GLN 49 2HG GLN 49 8.521 -0.118 -0.100 395 1HE2 GLN 49 1HE2 GLN 49 9.394 0.811 1.725 396 2HE2 GLN 49 2HE2 GLN 49 8.891 0.349 3.309 397 H LEU 50 H LEU 50 5.497 -0.649 -2.659 398 HA LEU 50 HA LEU 50 3.233 -2.560 -2.796 399 1HB LEU 50 1HB LEU 50 2.761 -0.229 -3.443 400 2HB LEU 50 2HB LEU 50 3.981 -0.306 -4.686 401 HG LEU 50 HG LEU 50 1.231 -1.741 -4.743 402 1HD1 LEU 50 1HD1 LEU 50 2.310 0.561 -6.275 403 2HD1 LEU 50 2HD1 LEU 50 1.134 0.621 -4.964 404 3HD1 LEU 50 3HD1 LEU 50 0.736 -0.208 -6.474 405 1HD2 LEU 50 1HD2 LEU 50 1.752 -2.333 -7.014 406 2HD2 LEU 50 2HD2 LEU 50 3.000 -3.024 -5.976 407 3HD2 LEU 50 3HD2 LEU 50 3.334 -1.567 -6.909 408 H PHE 51 H PHE 51 3.830 -4.465 -3.476 409 HA PHE 51 HA PHE 51 5.720 -4.645 -5.684 410 1HB PHE 51 1HB PHE 51 4.709 -6.751 -3.741 411 2HB PHE 51 2HB PHE 51 5.716 -7.124 -5.144 412 HD1 PHE 51 HD1 PHE 51 8.048 -6.483 -5.186 413 HD2 PHE 51 HD2 PHE 51 5.619 -5.669 -1.791 414 HE1 PHE 51 HE1 PHE 51 10.063 -6.043 -3.853 415 HE2 PHE 51 HE2 PHE 51 7.636 -5.226 -0.454 416 HZ PHE 51 HZ PHE 51 9.857 -5.412 -1.482 417 H ASP 52 H ASP 52 4.956 -5.173 -7.591 418 HA ASP 52 HA ASP 52 2.079 -4.801 -7.843 419 1HB ASP 52 1HB ASP 52 3.890 -3.532 -9.025 420 2HB ASP 52 2HB ASP 52 4.184 -4.962 -10.006 421 H GLY 53 H GLY 53 1.756 -5.912 -10.262 422 1HA GLY 53 1HA GLY 53 1.472 -8.756 -9.778 423 2HA GLY 53 2HA GLY 53 1.039 -7.901 -11.267 424 H ASP 54 H ASP 54 3.398 -6.473 -11.380 425 HA ASP 54 HA ASP 54 5.250 -8.297 -12.598 426 1HB ASP 54 1HB ASP 54 4.822 -5.938 -13.408 427 2HB ASP 54 2HB ASP 54 5.569 -5.359 -11.929 428 H ASP 55 H ASP 55 7.288 -8.775 -11.711 429 HA ASP 55 HA ASP 55 7.229 -9.442 -9.057 430 1HB ASP 55 1HB ASP 55 8.528 -10.617 -10.708 431 2HB ASP 55 2HB ASP 55 9.615 -9.252 -10.844 432 H GLN 56 H GLN 56 8.716 -6.608 -10.511 433 HA GLN 56 HA GLN 56 10.319 -6.072 -8.224 434 1HB GLN 56 1HB GLN 56 10.992 -4.028 -9.302 435 2HB GLN 56 2HB GLN 56 11.118 -5.385 -10.403 436 1HG GLN 56 1HG GLN 56 9.073 -4.680 -11.517 437 2HG GLN 56 2HG GLN 56 8.891 -3.357 -10.366 438 1HE2 GLN 56 1HE2 GLN 56 8.972 -1.778 -11.973 439 2HE2 GLN 56 2HE2 GLN 56 10.428 -1.393 -12.798 440 H LEU 57 H LEU 57 10.355 -4.159 -7.048 441 HA LEU 57 HA LEU 57 7.813 -3.380 -5.895 442 1HB LEU 57 1HB LEU 57 9.853 -3.799 -4.538 443 2HB LEU 57 2HB LEU 57 10.682 -2.521 -5.382 444 HG LEU 57 HG LEU 57 8.259 -1.953 -3.641 445 1HD1 LEU 57 1HD1 LEU 57 9.962 -3.134 -2.304 446 2HD1 LEU 57 2HD1 LEU 57 9.875 -1.424 -1.869 447 3HD1 LEU 57 3HD1 LEU 57 11.188 -2.007 -2.887 448 1HD2 LEU 57 1HD2 LEU 57 8.995 -0.179 -5.171 449 2HD2 LEU 57 2HD2 LEU 57 10.621 -0.282 -4.488 450 3HD2 LEU 57 3HD2 LEU 57 9.274 0.246 -3.483 451 H LYS 58 H LYS 58 6.652 -1.759 -6.439 452 HA LYS 58 HA LYS 58 7.511 -0.107 -8.657 453 1HB LYS 58 1HB LYS 58 4.929 -0.268 -7.153 454 2HB LYS 58 2HB LYS 58 5.211 0.877 -8.445 455 1HG LYS 58 1HG LYS 58 5.298 -2.121 -8.671 456 2HG LYS 58 2HG LYS 58 3.997 -1.077 -9.267 457 1HD LYS 58 1HD LYS 58 5.687 0.049 -10.720 458 2HD LYS 58 2HD LYS 58 6.862 -1.158 -10.205 459 1HE LYS 58 1HE LYS 58 5.949 -1.745 -12.336 460 2HE LYS 58 2HE LYS 58 5.423 -2.918 -11.125 461 1HZ LYS 58 1HZ LYS 58 3.681 -2.231 -12.676 462 2HZ LYS 58 2HZ LYS 58 3.776 -0.643 -12.117 463 3HZ LYS 58 3HZ LYS 58 3.250 -1.874 -11.089 464 H GLY 59 H GLY 59 6.676 0.337 -5.316 465 1HA GLY 59 1HA GLY 59 8.426 2.473 -4.987 466 2HA GLY 59 2HA GLY 59 6.840 3.131 -5.367 467 H GLU 60 H GLU 60 7.513 3.977 -3.096 468 HA GLU 60 HA GLU 60 6.512 2.100 -1.136 469 1HB GLU 60 1HB GLU 60 8.854 2.914 -0.896 470 2HB GLU 60 2HB GLU 60 8.232 4.550 -0.810 471 1HG GLU 60 1HG GLU 60 7.132 4.060 1.272 472 2HG GLU 60 2HG GLU 60 7.618 2.365 1.160 473 H LEU 61 H LEU 61 4.694 2.577 -0.311 474 HA LEU 61 HA LEU 61 3.237 5.015 -1.001 475 1HB LEU 61 1HB LEU 61 2.406 2.380 0.257 476 2HB LEU 61 2HB LEU 61 1.315 3.725 0.077 477 HG LEU 61 HG LEU 61 1.487 3.575 -2.353 478 1HD1 LEU 61 1HD1 LEU 61 3.160 1.124 -1.892 479 2HD1 LEU 61 2HD1 LEU 61 3.719 2.664 -2.545 480 3HD1 LEU 61 3HD1 LEU 61 2.539 1.713 -3.444 481 1HD2 LEU 61 1HD2 LEU 61 0.280 1.461 -2.604 482 2HD2 LEU 61 2HD2 LEU 61 -0.293 2.397 -1.225 483 3HD2 LEU 61 3HD2 LEU 61 0.761 1.004 -0.973 484 H THR 62 H THR 62 1.574 4.504 1.439 485 HA THR 62 HA THR 62 1.489 4.760 3.642 486 HB THR 62 HB THR 62 4.121 4.560 3.877 487 HG1 THR 62 HG1 THR 62 3.582 6.116 5.931 488 1HG2 THR 62 1HG2 THR 62 4.684 6.756 2.895 489 2HG2 THR 62 2HG2 THR 62 5.245 6.657 4.562 490 3HG2 THR 62 3HG2 THR 62 3.785 7.575 4.175 491 H ASP 63 H ASP 63 1.361 6.800 1.194 492 HA ASP 63 HA ASP 63 0.584 9.135 2.736 493 1HB ASP 63 1HB ASP 63 0.061 8.575 -0.164 494 2HB ASP 63 2HB ASP 63 -0.196 10.082 0.623 495 H GLY 64 H GLY 64 -1.196 9.057 3.764 496 1HA GLY 64 1HA GLY 64 -3.413 7.435 2.705 497 2HA GLY 64 2HA GLY 64 -3.220 7.852 4.396 498 H ALA 65 H ALA 65 -2.471 10.487 2.555 499 HA ALA 65 HA ALA 65 -4.943 11.820 3.139 500 1HB ALA 65 1HB ALA 65 -2.598 12.705 1.447 501 2HB ALA 65 2HB ALA 65 -2.821 13.035 3.167 502 3HB ALA 65 3HB ALA 65 -3.923 13.740 1.984 503 H LYS 66 H LYS 66 -4.010 9.694 0.828 504 HA LYS 66 HA LYS 66 -6.208 10.432 -0.901 505 1HB LYS 66 1HB LYS 66 -4.747 9.770 -2.851 506 2HB LYS 66 2HB LYS 66 -4.309 11.277 -2.065 507 1HG LYS 66 1HG LYS 66 -2.575 9.987 -0.782 508 2HG LYS 66 2HG LYS 66 -2.926 8.618 -1.836 509 1HD LYS 66 1HD LYS 66 -1.991 11.342 -2.744 510 2HD LYS 66 2HD LYS 66 -0.974 9.908 -2.611 511 1HE LYS 66 1HE LYS 66 -2.363 8.793 -4.295 512 2HE LYS 66 2HE LYS 66 -3.375 10.217 -4.405 513 1HZ LYS 66 1HZ LYS 66 -1.760 10.163 -6.193 514 2HZ LYS 66 2HZ LYS 66 -0.499 10.102 -5.097 515 3HZ LYS 66 3HZ LYS 66 -1.450 11.476 -5.179 516 H SER 67 H SER 67 -6.825 8.410 -2.337 517 HA SER 67 HA SER 67 -7.101 6.237 -0.511 518 1HB SER 67 1HB SER 67 -8.039 6.507 -3.351 519 2HB SER 67 2HB SER 67 -8.703 5.506 -2.071 520 HG SER 67 HG SER 67 -9.537 7.759 -2.761 521 H LEU 68 H LEU 68 -6.754 4.021 -1.448 522 HA LEU 68 HA LEU 68 -4.180 3.646 -2.509 523 1HB LEU 68 1HB LEU 68 -6.530 1.769 -2.536 524 2HB LEU 68 2HB LEU 68 -4.882 1.324 -2.898 525 HG LEU 68 HG LEU 68 -4.376 2.112 -0.503 526 1HD1 LEU 68 1HD1 LEU 68 -7.340 1.807 -0.223 527 2HD1 LEU 68 2HD1 LEU 68 -6.376 3.263 0.058 528 3HD1 LEU 68 3HD1 LEU 68 -6.190 1.867 1.109 529 1HD2 LEU 68 1HD2 LEU 68 -4.259 -0.197 -1.196 530 2HD2 LEU 68 2HD2 LEU 68 -6.001 -0.368 -0.978 531 3HD2 LEU 68 3HD2 LEU 68 -4.961 -0.072 0.412 532 H LYS 69 H LYS 69 -7.254 4.033 -3.928 533 HA LYS 69 HA LYS 69 -6.471 3.149 -6.545 534 1HB LYS 69 1HB LYS 69 -8.818 3.160 -5.845 535 2HB LYS 69 2HB LYS 69 -8.744 4.914 -5.710 536 1HG LYS 69 1HG LYS 69 -8.349 5.100 -8.102 537 2HG LYS 69 2HG LYS 69 -8.395 3.338 -8.251 538 1HD LYS 69 1HD LYS 69 -10.511 4.297 -8.897 539 2HD LYS 69 2HD LYS 69 -10.684 3.351 -7.413 540 1HE LYS 69 1HE LYS 69 -10.584 5.447 -6.110 541 2HE LYS 69 2HE LYS 69 -10.474 6.350 -7.625 542 1HZ LYS 69 1HZ LYS 69 -12.712 6.311 -6.771 543 2HZ LYS 69 2HZ LYS 69 -12.681 4.614 -6.744 544 3HZ LYS 69 3HZ LYS 69 -12.646 5.430 -8.223 545 H ASP 70 H ASP 70 -6.820 6.230 -4.930 546 HA ASP 70 HA ASP 70 -6.102 7.882 -7.126 547 1HB ASP 70 1HB ASP 70 -7.246 8.478 -4.911 548 2HB ASP 70 2HB ASP 70 -5.639 8.527 -4.241 549 H LEU 71 H LEU 71 -4.340 6.120 -4.771 550 HA LEU 71 HA LEU 71 -1.691 7.179 -5.266 551 1HB LEU 71 1HB LEU 71 -2.634 4.595 -4.016 552 2HB LEU 71 2HB LEU 71 -0.941 4.949 -4.237 553 HG LEU 71 HG LEU 71 -2.795 6.612 -2.451 554 1HD1 LEU 71 1HD1 LEU 71 -0.798 4.480 -1.751 555 2HD1 LEU 71 2HD1 LEU 71 -2.547 4.311 -1.624 556 3HD1 LEU 71 3HD1 LEU 71 -1.697 5.490 -0.627 557 1HD2 LEU 71 1HD2 LEU 71 0.202 6.468 -2.729 558 2HD2 LEU 71 2HD2 LEU 71 -0.722 7.494 -1.626 559 3HD2 LEU 71 3HD2 LEU 71 -0.808 7.768 -3.362 560 H GLY 72 H GLY 72 -3.722 5.152 -7.071 561 1HA GLY 72 1HA GLY 72 -3.345 4.301 -9.193 562 2HA GLY 72 2HA GLY 72 -1.645 4.722 -9.032 563 H VAL 73 H VAL 73 -3.486 2.805 -6.757 564 HA VAL 73 HA VAL 73 -1.723 0.490 -7.291 565 HB VAL 73 HB VAL 73 -3.326 1.085 -4.801 566 1HG1 VAL 73 1HG1 VAL 73 -2.659 -1.214 -5.091 567 2HG1 VAL 73 2HG1 VAL 73 -1.786 -0.474 -3.751 568 3HG1 VAL 73 3HG1 VAL 73 -0.980 -0.721 -5.299 569 1HG2 VAL 73 1HG2 VAL 73 -1.774 2.923 -5.118 570 2HG2 VAL 73 2HG2 VAL 73 -0.438 1.800 -5.311 571 3HG2 VAL 73 3HG2 VAL 73 -1.283 1.923 -3.760 572 H ARG 74 H ARG 74 -2.820 -1.118 -8.331 573 HA ARG 74 HA ARG 74 -5.754 -1.163 -8.243 574 1HB ARG 74 1HB ARG 74 -3.886 -2.788 -9.974 575 2HB ARG 74 2HB ARG 74 -5.619 -2.693 -10.118 576 1HG ARG 74 1HG ARG 74 -5.510 -0.372 -10.795 577 2HG ARG 74 2HG ARG 74 -3.763 -0.364 -10.553 578 1HD ARG 74 1HD ARG 74 -3.520 -2.076 -12.290 579 2HD ARG 74 2HD ARG 74 -5.267 -2.073 -12.534 580 HE ARG 74 HE ARG 74 -4.683 0.479 -12.940 581 1HH1 ARG 74 1HH1 ARG 74 -3.171 -2.445 -14.251 582 2HH1 ARG 74 2HH1 ARG 74 -2.667 -1.684 -15.690 583 1HH2 ARG 74 1HH2 ARG 74 -4.011 1.480 -14.947 584 2HH2 ARG 74 2HH2 ARG 74 -3.163 0.561 -16.104 585 H ASP 75 H ASP 75 -6.631 -3.469 -8.346 586 HA ASP 75 HA ASP 75 -5.884 -4.781 -5.928 587 1HB ASP 75 1HB ASP 75 -7.623 -6.428 -6.478 588 2HB ASP 75 2HB ASP 75 -8.209 -4.774 -6.530 589 H GLY 76 H GLY 76 -5.339 -6.988 -5.697 590 1HA GLY 76 1HA GLY 76 -4.334 -8.992 -6.394 591 2HA GLY 76 2HA GLY 76 -4.161 -8.317 -8.003 592 H TYR 77 H TYR 77 -3.036 -5.970 -6.092 593 HA TYR 77 HA TYR 77 -0.277 -6.830 -6.479 594 1HB TYR 77 1HB TYR 77 -1.286 -4.078 -5.663 595 2HB TYR 77 2HB TYR 77 0.374 -4.515 -6.018 596 HD1 TYR 77 HD1 TYR 77 -0.741 -6.387 -8.441 597 HD2 TYR 77 HD2 TYR 77 -1.068 -2.283 -7.361 598 HE1 TYR 77 HE1 TYR 77 -1.105 -5.810 -10.791 599 HE2 TYR 77 HE2 TYR 77 -1.437 -1.699 -9.714 600 HH TYR 77 HH TYR 77 -0.989 -2.601 -11.901 601 H ARG 78 H ARG 78 1.311 -6.415 -4.807 602 HA ARG 78 HA ARG 78 0.183 -7.528 -2.347 603 1HB ARG 78 1HB ARG 78 3.017 -7.623 -3.368 604 2HB ARG 78 2HB ARG 78 2.348 -8.531 -2.021 605 1HG ARG 78 1HG ARG 78 0.915 -9.774 -3.580 606 2HG ARG 78 2HG ARG 78 1.582 -8.839 -4.912 607 1HD ARG 78 1HD ARG 78 3.823 -9.731 -4.365 608 2HD ARG 78 2HD ARG 78 3.079 -10.719 -3.104 609 HE ARG 78 HE ARG 78 1.850 -11.067 -5.632 610 1HH1 ARG 78 1HH1 ARG 78 4.520 -12.160 -3.614 611 2HH1 ARG 78 2HH1 ARG 78 4.800 -13.599 -4.469 612 1HH2 ARG 78 1HH2 ARG 78 2.209 -13.054 -6.839 613 2HH2 ARG 78 2HH2 ARG 78 3.427 -14.128 -6.356 614 H ILE 79 H ILE 79 0.221 -6.272 -0.656 615 HA ILE 79 HA ILE 79 1.905 -3.898 -0.710 616 HB ILE 79 HB ILE 79 -0.605 -4.472 0.891 617 1HG1 ILE 79 1HG1 ILE 79 -1.078 -3.914 -1.442 618 2HG1 ILE 79 2HG1 ILE 79 -1.561 -2.587 -0.401 619 1HG2 ILE 79 1HG2 ILE 79 0.927 -3.176 2.265 620 2HG2 ILE 79 2HG2 ILE 79 -0.431 -2.171 1.748 621 3HG2 ILE 79 3HG2 ILE 79 1.136 -2.012 0.958 622 1HD1 ILE 79 1HD1 ILE 79 0.478 -1.375 -1.002 623 2HD1 ILE 79 2HD1 ILE 79 -0.516 -1.754 -2.403 624 3HD1 ILE 79 3HD1 ILE 79 0.939 -2.693 -2.080 625 H HIS 80 H HIS 80 3.527 -3.825 0.451 626 HA HIS 80 HA HIS 80 3.987 -5.859 2.514 627 1HB HIS 80 1HB HIS 80 5.462 -6.042 0.625 628 2HB HIS 80 2HB HIS 80 5.835 -4.326 0.698 629 HD1 HIS 80 HD1 HIS 80 6.425 -7.532 2.551 630 HD2 HIS 80 HD2 HIS 80 7.895 -3.674 2.307 631 HE1 HIS 80 HE1 HIS 80 8.428 -7.517 4.037 632 HE2 HIS 80 HE2 HIS 80 9.546 -5.377 3.338 633 H ALA 81 H ALA 81 4.245 -5.188 4.519 634 HA ALA 81 HA ALA 81 4.783 -2.346 4.996 635 1HB ALA 81 1HB ALA 81 2.664 -3.119 5.939 636 2HB ALA 81 2HB ALA 81 3.810 -2.722 7.219 637 3HB ALA 81 3HB ALA 81 3.507 -4.409 6.795 638 H VAL 82 H VAL 82 6.480 -1.839 6.365 639 HA VAL 82 HA VAL 82 7.900 -4.033 7.572 640 HB VAL 82 HB VAL 82 8.894 -3.744 5.366 641 1HG1 VAL 82 1HG1 VAL 82 9.594 -0.969 6.259 642 2HG1 VAL 82 2HG1 VAL 82 8.488 -1.411 4.955 643 3HG1 VAL 82 3HG1 VAL 82 10.212 -1.748 4.805 644 1HG2 VAL 82 1HG2 VAL 82 10.667 -2.905 7.634 645 2HG2 VAL 82 2HG2 VAL 82 11.242 -3.522 6.086 646 3HG2 VAL 82 3HG2 VAL 82 10.286 -4.555 7.154 647 H ASP 83 H ASP 83 8.879 -3.544 9.392 648 HA ASP 83 HA ASP 83 8.268 -1.016 10.646 649 1HB ASP 83 1HB ASP 83 8.072 -3.163 11.877 650 2HB ASP 83 2HB ASP 83 9.804 -3.398 11.700 651 H VAL 84 H VAL 84 9.581 0.601 10.941 652 HA VAL 84 HA VAL 84 12.189 0.589 9.662 653 HB VAL 84 HB VAL 84 10.774 2.849 11.067 654 1HG1 VAL 84 1HG1 VAL 84 12.274 4.318 9.792 655 2HG1 VAL 84 2HG1 VAL 84 13.090 2.897 9.138 656 3HG1 VAL 84 3HG1 VAL 84 13.176 3.245 10.867 657 1HG2 VAL 84 1HG2 VAL 84 9.461 2.043 9.200 658 2HG2 VAL 84 2HG2 VAL 84 10.869 2.155 8.144 659 3HG2 VAL 84 3HG2 VAL 84 10.153 3.621 8.817 660 H THR 85 H THR 85 10.895 0.764 12.919 661 HA THR 85 HA THR 85 13.244 1.704 14.129 662 HB THR 85 HB THR 85 12.122 0.861 16.268 663 HG1 THR 85 HG1 THR 85 10.564 -0.477 14.581 664 1HG2 THR 85 1HG2 THR 85 10.656 2.792 14.470 665 2HG2 THR 85 2HG2 THR 85 12.018 3.182 15.519 666 3HG2 THR 85 3HG2 THR 85 10.478 2.687 16.222 667 H GLY 86 H GLY 86 12.260 -1.487 13.276 668 1HA GLY 86 1HA GLY 86 14.347 -2.719 14.877 669 2HA GLY 86 2HA GLY 86 13.248 -3.543 13.780 670 H GLY 87 H GLY 87 14.345 -1.026 12.034 671 1HA GLY 87 1HA GLY 87 15.832 -0.823 10.310 672 2HA GLY 87 2HA GLY 87 16.956 -1.742 11.308 673 H ASN 88 H ASN 88 13.855 -2.588 9.876 674 HA ASN 88 HA ASN 88 15.028 -5.073 8.931 675 1HB ASN 88 1HB ASN 88 12.154 -4.149 9.020 676 2HB ASN 88 2HB ASN 88 12.681 -5.723 8.446 677 1HD2 ASN 88 1HD2 ASN 88 13.401 -7.241 9.941 678 2HD2 ASN 88 2HD2 ASN 88 13.116 -7.079 11.627 679 H GLU 89 H GLU 89 15.611 -5.374 6.945 680 HA GLU 89 HA GLU 89 16.164 -4.949 4.827 681 1HB GLU 89 1HB GLU 89 14.237 -5.174 3.222 682 2HB GLU 89 2HB GLU 89 14.347 -6.430 4.442 683 1HG GLU 89 1HG GLU 89 12.574 -5.363 5.716 684 2HG GLU 89 2HG GLU 89 12.510 -4.056 4.541 685 H ASP 90 H ASP 90 16.750 -2.633 5.836 686 HA ASP 90 HA ASP 90 15.618 -0.747 4.015 687 1HB ASP 90 1HB ASP 90 16.424 0.923 5.515 688 2HB ASP 90 2HB ASP 90 15.368 -0.162 6.413 Start of MODEL 19 1 H MET 1 H MET 1 -18.473 3.605 -0.231 2 HA MET 1 HA MET 1 -20.868 2.303 -1.336 3 1HB MET 1 1HB MET 1 -19.998 2.863 -3.511 4 2HB MET 1 2HB MET 1 -20.046 4.349 -2.579 5 1HG MET 1 1HG MET 1 -17.601 2.672 -3.158 6 2HG MET 1 2HG MET 1 -18.010 4.209 -3.911 7 1HE MET 1 1HE MET 1 -15.554 5.043 -3.353 8 2HE MET 1 2HE MET 1 -15.192 3.507 -2.571 9 3HE MET 1 3HE MET 1 -14.852 5.022 -1.736 10 H THR 2 H THR 2 -20.236 0.368 -2.657 11 HA THR 2 HA THR 2 -18.092 -1.010 -1.343 12 HB THR 2 HB THR 2 -18.887 -2.935 -2.800 13 HG1 THR 2 HG1 THR 2 -19.932 -1.878 -4.402 14 1HG2 THR 2 1HG2 THR 2 -19.565 -2.683 -0.464 15 2HG2 THR 2 2HG2 THR 2 -20.880 -3.336 -1.436 16 3HG2 THR 2 3HG2 THR 2 -20.896 -1.634 -0.958 17 H GLU 3 H GLU 3 -16.148 -0.795 -2.041 18 HA GLU 3 HA GLU 3 -15.421 -1.178 -4.766 19 1HB GLU 3 1HB GLU 3 -16.049 1.233 -4.729 20 2HB GLU 3 2HB GLU 3 -14.907 1.483 -3.423 21 1HG GLU 3 1HG GLU 3 -13.078 0.865 -4.895 22 2HG GLU 3 2HG GLU 3 -14.226 0.589 -6.205 23 H VAL 4 H VAL 4 -14.220 -2.773 -4.066 24 HA VAL 4 HA VAL 4 -12.154 -2.249 -2.067 25 HB VAL 4 HB VAL 4 -12.552 -4.574 -1.187 26 1HG1 VAL 4 1HG1 VAL 4 -14.499 -3.958 0.191 27 2HG1 VAL 4 2HG1 VAL 4 -14.856 -2.634 -0.916 28 3HG1 VAL 4 3HG1 VAL 4 -13.373 -2.608 0.040 29 1HG2 VAL 4 1HG2 VAL 4 -15.085 -4.319 -2.805 30 2HG2 VAL 4 2HG2 VAL 4 -14.793 -5.555 -1.591 31 3HG2 VAL 4 3HG2 VAL 4 -13.796 -5.500 -3.052 32 H TYR 5 H TYR 5 -10.331 -3.430 -2.214 33 HA TYR 5 HA TYR 5 -9.937 -5.121 -4.609 34 1HB TYR 5 1HB TYR 5 -7.770 -4.131 -5.001 35 2HB TYR 5 2HB TYR 5 -8.924 -2.835 -4.930 36 HD1 TYR 5 HD1 TYR 5 -9.131 -1.645 -2.605 37 HD2 TYR 5 HD2 TYR 5 -5.838 -3.959 -3.911 38 HE1 TYR 5 HE1 TYR 5 -7.683 -0.453 -1.040 39 HE2 TYR 5 HE2 TYR 5 -4.388 -2.797 -2.353 40 HH TYR 5 HH TYR 5 -5.529 -0.887 0.135 41 H ASP 6 H ASP 6 -8.851 -6.905 -4.380 42 HA ASP 6 HA ASP 6 -8.275 -7.849 -1.677 43 1HB ASP 6 1HB ASP 6 -7.693 -9.137 -4.352 44 2HB ASP 6 2HB ASP 6 -7.454 -9.900 -2.801 45 H LEU 7 H LEU 7 -6.348 -7.770 -0.742 46 HA LEU 7 HA LEU 7 -4.068 -6.923 -2.348 47 1HB LEU 7 1HB LEU 7 -4.483 -6.709 0.625 48 2HB LEU 7 2HB LEU 7 -3.149 -6.088 -0.297 49 HG LEU 7 HG LEU 7 -4.926 -4.490 -1.364 50 1HD1 LEU 7 1HD1 LEU 7 -6.823 -4.015 0.006 51 2HD1 LEU 7 2HD1 LEU 7 -6.461 -5.429 1.010 52 3HD1 LEU 7 3HD1 LEU 7 -6.876 -5.629 -0.688 53 1HD2 LEU 7 1HD2 LEU 7 -4.205 -4.256 1.551 54 2HD2 LEU 7 2HD2 LEU 7 -4.748 -2.959 0.481 55 3HD2 LEU 7 3HD2 LEU 7 -3.200 -3.747 0.186 56 H GLU 8 H GLU 8 -2.172 -8.020 -1.913 57 HA GLU 8 HA GLU 8 -2.357 -10.339 -0.132 58 1HB GLU 8 1HB GLU 8 -1.883 -10.912 -2.457 59 2HB GLU 8 2HB GLU 8 -0.498 -9.820 -2.463 60 1HG GLU 8 1HG GLU 8 0.596 -11.223 -0.799 61 2HG GLU 8 2HG GLU 8 -0.801 -12.297 -0.775 62 H ILE 9 H ILE 9 -1.411 -9.919 1.665 63 HA ILE 9 HA ILE 9 0.469 -7.649 1.718 64 HB ILE 9 HB ILE 9 -1.124 -8.750 4.015 65 1HG1 ILE 9 1HG1 ILE 9 -1.586 -6.255 2.354 66 2HG1 ILE 9 2HG1 ILE 9 -2.565 -7.713 2.299 67 1HG2 ILE 9 1HG2 ILE 9 -0.452 -6.663 5.182 68 2HG2 ILE 9 2HG2 ILE 9 0.542 -6.229 3.792 69 3HG2 ILE 9 3HG2 ILE 9 0.939 -7.656 4.746 70 1HD1 ILE 9 1HD1 ILE 9 -3.248 -7.324 4.622 71 2HD1 ILE 9 2HD1 ILE 9 -3.657 -5.976 3.566 72 3HD1 ILE 9 3HD1 ILE 9 -2.270 -5.854 4.651 73 H THR 10 H THR 10 2.416 -7.928 2.218 74 HA THR 10 HA THR 10 3.272 -10.322 3.679 75 HB THR 10 HB THR 10 5.511 -9.984 2.631 76 HG1 THR 10 HG1 THR 10 4.861 -8.682 0.456 77 1HG2 THR 10 1HG2 THR 10 4.004 -11.653 1.774 78 2HG2 THR 10 2HG2 THR 10 4.943 -10.919 0.463 79 3HG2 THR 10 3HG2 THR 10 3.245 -10.459 0.708 80 H THR 11 H THR 11 5.146 -9.941 5.125 81 HA THR 11 HA THR 11 5.573 -7.217 5.853 82 HB THR 11 HB THR 11 5.590 -8.208 8.142 83 HG1 THR 11 HG1 THR 11 3.793 -10.038 6.988 84 1HG2 THR 11 1HG2 THR 11 2.898 -7.794 6.810 85 2HG2 THR 11 2HG2 THR 11 3.912 -6.537 7.520 86 3HG2 THR 11 3HG2 THR 11 3.173 -7.751 8.552 87 H ASN 12 H ASN 12 7.315 -7.059 7.083 88 HA ASN 12 HA ASN 12 9.589 -8.509 6.256 89 1HB ASN 12 1HB ASN 12 10.312 -6.505 6.928 90 2HB ASN 12 2HB ASN 12 9.010 -6.312 8.104 91 1HD2 ASN 12 1HD2 ASN 12 9.351 -6.953 10.213 92 2HD2 ASN 12 2HD2 ASN 12 10.915 -7.335 10.836 93 H ALA 13 H ALA 13 7.650 -8.641 9.054 94 HA ALA 13 HA ALA 13 9.387 -10.452 10.341 95 1HB ALA 13 1HB ALA 13 7.683 -10.531 12.058 96 2HB ALA 13 2HB ALA 13 6.583 -9.638 10.966 97 3HB ALA 13 3HB ALA 13 8.104 -8.907 11.508 98 H THR 14 H THR 14 6.454 -10.753 8.455 99 HA THR 14 HA THR 14 6.964 -13.607 8.543 100 HB THR 14 HB THR 14 4.482 -14.069 8.250 101 HG1 THR 14 HG1 THR 14 4.389 -11.375 8.258 102 1HG2 THR 14 1HG2 THR 14 3.959 -13.825 10.638 103 2HG2 THR 14 2HG2 THR 14 5.347 -12.753 10.827 104 3HG2 THR 14 3HG2 THR 14 5.591 -14.444 10.388 105 H ASP 15 H ASP 15 7.252 -14.613 6.710 106 HA ASP 15 HA ASP 15 6.965 -13.029 4.285 107 1HB ASP 15 1HB ASP 15 8.343 -15.682 4.753 108 2HB ASP 15 2HB ASP 15 8.205 -14.933 3.170 109 H PHE 16 H PHE 16 4.924 -14.655 5.901 110 HA PHE 16 HA PHE 16 3.726 -16.270 3.843 111 1HB PHE 16 1HB PHE 16 3.494 -16.921 6.206 112 2HB PHE 16 2HB PHE 16 2.707 -15.390 6.551 113 HD1 PHE 16 HD1 PHE 16 0.383 -15.064 6.113 114 HD2 PHE 16 HD2 PHE 16 2.326 -18.628 4.837 115 HE1 PHE 16 HE1 PHE 16 -1.804 -16.077 5.630 116 HE2 PHE 16 HE2 PHE 16 0.137 -19.645 4.353 117 HZ PHE 16 HZ PHE 16 -1.928 -18.371 4.746 118 HA PRO 17 HA PRO 17 1.675 -12.526 2.383 119 1HB PRO 17 1HB PRO 17 0.509 -14.121 0.306 120 2HB PRO 17 2HB PRO 17 1.761 -12.888 0.170 121 1HG PRO 17 1HG PRO 17 2.195 -15.580 -0.258 122 2HG PRO 17 2HG PRO 17 3.453 -14.424 0.208 123 1HD PRO 17 1HD PRO 17 1.988 -16.403 1.902 124 2HD PRO 17 2HD PRO 17 3.676 -15.834 1.967 125 H MET 18 H MET 18 -0.155 -11.906 3.203 126 HA MET 18 HA MET 18 -2.253 -13.914 3.659 127 1HB MET 18 1HB MET 18 -1.436 -12.848 5.723 128 2HB MET 18 2HB MET 18 -1.843 -11.269 5.068 129 1HG MET 18 1HG MET 18 -4.216 -11.926 4.991 130 2HG MET 18 2HG MET 18 -3.790 -13.482 5.694 131 1HE MET 18 1HE MET 18 -5.676 -11.701 8.621 132 2HE MET 18 2HE MET 18 -5.585 -13.142 7.612 133 3HE MET 18 3HE MET 18 -6.038 -11.595 6.898 134 H GLU 19 H GLU 19 -4.079 -13.738 2.587 135 HA GLU 19 HA GLU 19 -4.508 -11.523 0.813 136 1HB GLU 19 1HB GLU 19 -6.157 -13.960 1.432 137 2HB GLU 19 2HB GLU 19 -6.663 -12.731 0.304 138 1HG GLU 19 1HG GLU 19 -5.778 -14.628 -0.881 139 2HG GLU 19 2HG GLU 19 -4.745 -13.231 -1.117 140 H LYS 20 H LYS 20 -5.693 -9.841 1.238 141 HA LYS 20 HA LYS 20 -7.891 -9.965 3.104 142 1HB LYS 20 1HB LYS 20 -5.816 -9.470 4.474 143 2HB LYS 20 2HB LYS 20 -5.715 -7.948 3.597 144 1HG LYS 20 1HG LYS 20 -7.905 -7.307 4.411 145 2HG LYS 20 2HG LYS 20 -8.053 -8.855 5.240 146 1HD LYS 20 1HD LYS 20 -6.080 -8.308 6.572 147 2HD LYS 20 2HD LYS 20 -6.008 -6.763 5.703 148 1HE LYS 20 1HE LYS 20 -8.187 -6.144 6.581 149 2HE LYS 20 2HE LYS 20 -8.316 -7.697 7.410 150 1HZ LYS 20 1HZ LYS 20 -6.401 -7.054 8.765 151 2HZ LYS 20 2HZ LYS 20 -7.651 -5.941 8.918 152 3HZ LYS 20 3HZ LYS 20 -6.320 -5.573 7.951 153 H LYS 21 H LYS 21 -9.320 -8.238 2.798 154 HA LYS 21 HA LYS 21 -8.881 -6.795 0.285 155 1HB LYS 21 1HB LYS 21 -10.514 -8.576 0.217 156 2HB LYS 21 2HB LYS 21 -11.387 -7.876 1.564 157 1HG LYS 21 1HG LYS 21 -11.954 -5.958 0.193 158 2HG LYS 21 2HG LYS 21 -11.065 -6.652 -1.171 159 1HD LYS 21 1HD LYS 21 -13.462 -7.905 0.201 160 2HD LYS 21 2HD LYS 21 -13.482 -7.084 -1.357 161 1HE LYS 21 1HE LYS 21 -11.954 -8.764 -2.271 162 2HE LYS 21 2HE LYS 21 -11.907 -9.583 -0.719 163 1HZ LYS 21 1HZ LYS 21 -14.308 -9.222 -2.415 164 2HZ LYS 21 2HZ LYS 21 -14.273 -10.026 -0.926 165 3HZ LYS 21 3HZ LYS 21 -13.428 -10.652 -2.240 166 H TYR 22 H TYR 22 -9.114 -4.611 0.279 167 HA TYR 22 HA TYR 22 -10.385 -3.233 2.547 168 1HB TYR 22 1HB TYR 22 -7.706 -2.547 1.297 169 2HB TYR 22 2HB TYR 22 -8.627 -1.391 2.230 170 HD1 TYR 22 HD1 TYR 22 -9.209 -2.094 4.651 171 HD2 TYR 22 HD2 TYR 22 -6.153 -3.913 2.344 172 HE1 TYR 22 HE1 TYR 22 -8.112 -2.847 6.713 173 HE2 TYR 22 HE2 TYR 22 -5.049 -4.681 4.402 174 HH TYR 22 HH TYR 22 -4.947 -4.075 6.768 175 HA PRO 23 HA PRO 23 -12.350 -0.852 -0.688 176 1HB PRO 23 1HB PRO 23 -12.190 1.636 0.796 177 2HB PRO 23 2HB PRO 23 -13.608 0.647 0.472 178 1HG PRO 23 1HG PRO 23 -12.525 0.931 2.947 179 2HG PRO 23 2HG PRO 23 -13.407 -0.508 2.413 180 1HD PRO 23 1HD PRO 23 -10.462 -0.075 2.660 181 2HD PRO 23 2HD PRO 23 -11.424 -1.521 3.040 182 H ALA 24 H ALA 24 -11.581 0.034 -2.487 183 HA ALA 24 HA ALA 24 -8.902 1.087 -2.576 184 1HB ALA 24 1HB ALA 24 -9.870 -0.191 -4.461 185 2HB ALA 24 2HB ALA 24 -9.268 1.387 -4.965 186 3HB ALA 24 3HB ALA 24 -10.997 1.133 -4.752 187 H GLY 25 H GLY 25 -11.924 2.401 -2.152 188 1HA GLY 25 1HA GLY 25 -11.148 5.105 -2.913 189 2HA GLY 25 2HA GLY 25 -12.723 4.619 -2.305 190 H MET 26 H MET 26 -10.416 3.346 -0.255 191 HA MET 26 HA MET 26 -10.892 5.547 1.608 192 1HB MET 26 1HB MET 26 -11.466 3.162 2.214 193 2HB MET 26 2HB MET 26 -9.746 2.802 2.195 194 1HG MET 26 1HG MET 26 -10.577 3.158 4.458 195 2HG MET 26 2HG MET 26 -9.393 4.390 4.008 196 1HE MET 26 1HE MET 26 -11.928 6.375 6.287 197 2HE MET 26 2HE MET 26 -10.232 6.000 6.009 198 3HE MET 26 3HE MET 26 -11.349 4.719 6.488 199 H SER 27 H SER 27 -8.952 5.985 3.184 200 HA SER 27 HA SER 27 -6.638 6.735 1.610 201 1HB SER 27 1HB SER 27 -5.978 7.789 3.726 202 2HB SER 27 2HB SER 27 -7.575 8.316 3.223 203 HG SER 27 HG SER 27 -8.041 7.739 5.210 204 H LEU 28 H LEU 28 -4.515 6.204 2.208 205 HA LEU 28 HA LEU 28 -4.156 3.482 2.953 206 1HB LEU 28 1HB LEU 28 -2.706 5.199 1.563 207 2HB LEU 28 2HB LEU 28 -1.985 5.499 3.105 208 HG LEU 28 HG LEU 28 -1.993 2.782 1.756 209 1HD1 LEU 28 1HD1 LEU 28 0.189 4.781 2.111 210 2HD1 LEU 28 2HD1 LEU 28 -0.588 4.303 0.597 211 3HD1 LEU 28 3HD1 LEU 28 0.372 3.135 1.518 212 1HD2 LEU 28 1HD2 LEU 28 -0.544 3.684 4.240 213 2HD2 LEU 28 2HD2 LEU 28 -0.391 2.107 3.463 214 3HD2 LEU 28 3HD2 LEU 28 -1.920 2.581 4.203 215 H ASN 29 H ASN 29 -4.189 6.499 4.623 216 HA ASN 29 HA ASN 29 -2.836 5.674 7.033 217 1HB ASN 29 1HB ASN 29 -4.919 7.847 6.693 218 2HB ASN 29 2HB ASN 29 -4.024 7.549 8.177 219 1HD2 ASN 29 1HD2 ASN 29 -4.082 9.948 6.566 220 2HD2 ASN 29 2HD2 ASN 29 -2.460 10.255 6.093 221 H ASP 30 H ASP 30 -6.126 5.285 6.007 222 HA ASP 30 HA ASP 30 -7.106 4.207 8.459 223 1HB ASP 30 1HB ASP 30 -8.590 4.964 6.702 224 2HB ASP 30 2HB ASP 30 -7.931 3.774 5.602 225 H LEU 31 H LEU 31 -5.796 2.814 5.556 226 HA LEU 31 HA LEU 31 -5.970 0.033 6.293 227 1HB LEU 31 1HB LEU 31 -5.570 1.059 3.963 228 2HB LEU 31 2HB LEU 31 -3.944 1.346 4.469 229 HG LEU 31 HG LEU 31 -5.118 -1.449 4.244 230 1HD1 LEU 31 1HD1 LEU 31 -3.847 -1.621 2.169 231 2HD1 LEU 31 2HD1 LEU 31 -3.403 0.083 2.303 232 3HD1 LEU 31 3HD1 LEU 31 -5.091 -0.376 2.078 233 1HD2 LEU 31 1HD2 LEU 31 -2.245 -0.511 4.444 234 2HD2 LEU 31 2HD2 LEU 31 -2.776 -2.182 4.259 235 3HD2 LEU 31 3HD2 LEU 31 -3.157 -1.297 5.735 236 H LYS 32 H LYS 32 -3.546 2.458 6.580 237 HA LYS 32 HA LYS 32 -1.469 1.080 7.788 238 1HB LYS 32 1HB LYS 32 -2.425 3.882 7.883 239 2HB LYS 32 2HB LYS 32 -1.254 3.400 9.090 240 1HG LYS 32 1HG LYS 32 -0.633 2.690 6.298 241 2HG LYS 32 2HG LYS 32 -0.605 4.406 6.695 242 1HD LYS 32 1HD LYS 32 1.627 3.273 6.980 243 2HD LYS 32 2HD LYS 32 1.031 4.024 8.454 244 1HE LYS 32 1HE LYS 32 0.224 1.808 9.213 245 2HE LYS 32 2HE LYS 32 0.883 1.099 7.742 246 1HZ LYS 32 1HZ LYS 32 2.550 2.537 9.750 247 2HZ LYS 32 2HZ LYS 32 3.114 1.542 8.513 248 3HZ LYS 32 3HZ LYS 32 2.197 0.915 9.798 249 H LYS 33 H LYS 33 -4.196 2.699 9.374 250 HA LYS 33 HA LYS 33 -3.396 1.947 11.974 251 1HB LYS 33 1HB LYS 33 -4.952 3.848 11.069 252 2HB LYS 33 2HB LYS 33 -6.182 2.608 11.114 253 1HG LYS 33 1HG LYS 33 -6.227 3.978 13.106 254 2HG LYS 33 2HG LYS 33 -5.832 2.299 13.487 255 1HD LYS 33 1HD LYS 33 -4.424 3.902 14.700 256 2HD LYS 33 2HD LYS 33 -3.456 2.858 13.681 257 1HE LYS 33 1HE LYS 33 -2.652 5.152 13.513 258 2HE LYS 33 2HE LYS 33 -3.362 4.702 11.975 259 1HZ LYS 33 1HZ LYS 33 -4.721 6.284 14.081 260 2HZ LYS 33 2HZ LYS 33 -5.344 5.922 12.551 261 3HZ LYS 33 3HZ LYS 33 -3.983 6.900 12.698 262 H LYS 34 H LYS 34 -5.069 0.177 9.422 263 HA LYS 34 HA LYS 34 -6.553 -1.570 11.087 264 1HB LYS 34 1HB LYS 34 -5.757 -1.210 8.260 265 2HB LYS 34 2HB LYS 34 -6.628 -2.621 8.666 266 1HG LYS 34 1HG LYS 34 -7.514 0.250 8.844 267 2HG LYS 34 2HG LYS 34 -8.077 -0.947 7.688 268 1HD LYS 34 1HD LYS 34 -9.053 -2.222 9.590 269 2HD LYS 34 2HD LYS 34 -8.592 -0.892 10.659 270 1HE LYS 34 1HE LYS 34 -9.943 0.654 9.299 271 2HE LYS 34 2HE LYS 34 -10.401 -0.692 8.270 272 1HZ LYS 34 1HZ LYS 34 -11.467 -1.729 10.185 273 2HZ LYS 34 2HZ LYS 34 -12.123 -0.227 9.849 274 3HZ LYS 34 3HZ LYS 34 -11.056 -0.411 11.150 275 H LEU 35 H LEU 35 -3.751 -1.405 9.093 276 HA LEU 35 HA LEU 35 -2.636 -3.945 9.510 277 1HB LEU 35 1HB LEU 35 -2.053 -2.558 7.635 278 2HB LEU 35 2HB LEU 35 -1.603 -1.251 8.696 279 HG LEU 35 HG LEU 35 0.075 -2.465 9.561 280 1HD1 LEU 35 1HD1 LEU 35 0.943 -4.590 8.311 281 2HD1 LEU 35 2HD1 LEU 35 -0.553 -4.538 7.376 282 3HD1 LEU 35 3HD1 LEU 35 -0.609 -4.820 9.115 283 1HD2 LEU 35 1HD2 LEU 35 1.654 -2.368 7.584 284 2HD2 LEU 35 2HD2 LEU 35 0.626 -0.962 7.846 285 3HD2 LEU 35 3HD2 LEU 35 0.223 -2.125 6.582 286 H GLU 36 H GLU 36 -2.097 -0.796 11.117 287 HA GLU 36 HA GLU 36 -0.165 -1.665 12.849 288 1HB GLU 36 1HB GLU 36 -2.132 0.515 12.890 289 2HB GLU 36 2HB GLU 36 -1.000 0.413 14.182 290 1HG GLU 36 1HG GLU 36 -0.613 0.964 11.300 291 2HG GLU 36 2HG GLU 36 0.015 1.899 12.675 292 H LEU 37 H LEU 37 -3.590 -1.890 13.051 293 HA LEU 37 HA LEU 37 -3.808 -2.630 15.755 294 1HB LEU 37 1HB LEU 37 -5.733 -2.105 14.233 295 2HB LEU 37 2HB LEU 37 -5.427 -3.598 13.403 296 HG LEU 37 HG LEU 37 -5.996 -4.872 15.432 297 1HD1 LEU 37 1HD1 LEU 37 -7.062 -3.742 17.319 298 2HD1 LEU 37 2HD1 LEU 37 -6.689 -2.179 16.594 299 3HD1 LEU 37 3HD1 LEU 37 -5.384 -3.241 17.122 300 1HD2 LEU 37 1HD2 LEU 37 -8.102 -2.895 14.561 301 2HD2 LEU 37 2HD2 LEU 37 -8.403 -4.425 15.380 302 3HD2 LEU 37 3HD2 LEU 37 -7.711 -4.417 13.760 303 H VAL 38 H VAL 38 -2.806 -4.340 12.911 304 HA VAL 38 HA VAL 38 -2.740 -6.942 14.189 305 HB VAL 38 HB VAL 38 -1.856 -6.090 11.419 306 1HG1 VAL 38 1HG1 VAL 38 -2.333 -8.854 12.530 307 2HG1 VAL 38 2HG1 VAL 38 -0.770 -8.147 12.133 308 3HG1 VAL 38 3HG1 VAL 38 -1.941 -8.467 10.851 309 1HG2 VAL 38 1HG2 VAL 38 -3.963 -7.066 10.644 310 2HG2 VAL 38 2HG2 VAL 38 -4.239 -5.720 11.746 311 3HG2 VAL 38 3HG2 VAL 38 -4.433 -7.381 12.314 312 H VAL 39 H VAL 39 -0.490 -4.462 13.018 313 HA VAL 39 HA VAL 39 1.876 -6.042 13.672 314 HB VAL 39 HB VAL 39 1.760 -3.078 13.075 315 1HG1 VAL 39 1HG1 VAL 39 4.103 -3.376 12.422 316 2HG1 VAL 39 2HG1 VAL 39 3.999 -5.085 12.832 317 3HG1 VAL 39 3HG1 VAL 39 3.849 -3.871 14.100 318 1HG2 VAL 39 1HG2 VAL 39 2.284 -3.662 10.756 319 2HG2 VAL 39 2HG2 VAL 39 0.735 -4.338 11.246 320 3HG2 VAL 39 3HG2 VAL 39 2.159 -5.372 11.158 321 H GLY 40 H GLY 40 -0.056 -3.674 15.299 322 1HA GLY 40 1HA GLY 40 -0.130 -3.316 17.543 323 2HA GLY 40 2HA GLY 40 1.208 -4.439 17.750 324 H THR 41 H THR 41 1.825 -2.006 15.414 325 HA THR 41 HA THR 41 3.102 -0.498 17.574 326 HB THR 41 HB THR 41 4.835 -1.700 16.286 327 HG1 THR 41 HG1 THR 41 5.667 0.058 17.100 328 1HG2 THR 41 1HG2 THR 41 3.759 -1.769 14.075 329 2HG2 THR 41 2HG2 THR 41 5.375 -1.076 13.976 330 3HG2 THR 41 3HG2 THR 41 3.960 -0.024 13.933 331 H THR 42 H THR 42 4.017 1.543 15.951 332 HA THR 42 HA THR 42 1.472 2.886 15.508 333 HB THR 42 HB THR 42 2.790 4.989 15.721 334 HG1 THR 42 HG1 THR 42 4.902 4.885 15.972 335 1HG2 THR 42 1HG2 THR 42 1.573 4.091 17.630 336 2HG2 THR 42 2HG2 THR 42 3.088 4.826 18.164 337 3HG2 THR 42 3HG2 THR 42 2.951 3.073 18.045 338 H VAL 43 H VAL 43 1.539 4.595 13.757 339 HA VAL 43 HA VAL 43 1.852 3.206 11.370 340 HB VAL 43 HB VAL 43 1.408 5.371 10.261 341 1HG1 VAL 43 1HG1 VAL 43 -0.475 4.501 12.491 342 2HG1 VAL 43 2HG1 VAL 43 -0.382 3.761 10.900 343 3HG1 VAL 43 3HG1 VAL 43 -0.982 5.414 11.068 344 1HG2 VAL 43 1HG2 VAL 43 1.126 6.351 13.093 345 2HG2 VAL 43 2HG2 VAL 43 0.545 7.219 11.680 346 3HG2 VAL 43 3HG2 VAL 43 2.275 6.923 11.880 347 H ASP 44 H ASP 44 3.836 5.734 12.636 348 HA ASP 44 HA ASP 44 5.534 5.921 10.345 349 1HB ASP 44 1HB ASP 44 5.271 7.743 12.001 350 2HB ASP 44 2HB ASP 44 6.122 6.746 13.173 351 H SER 45 H SER 45 5.505 3.718 13.084 352 HA SER 45 HA SER 45 8.216 2.989 12.811 353 1HB SER 45 1HB SER 45 5.903 2.035 14.428 354 2HB SER 45 2HB SER 45 7.543 1.403 14.538 355 HG SER 45 HG SER 45 8.233 3.219 15.371 356 H MET 46 H MET 46 5.639 2.361 10.969 357 HA MET 46 HA MET 46 6.722 -0.261 10.153 358 1HB MET 46 1HB MET 46 4.367 0.097 11.460 359 2HB MET 46 2HB MET 46 3.843 0.150 9.785 360 1HG MET 46 1HG MET 46 5.362 -2.080 11.112 361 2HG MET 46 2HG MET 46 3.647 -2.061 10.716 362 1HE MET 46 1HE MET 46 3.992 -4.413 9.637 363 2HE MET 46 2HE MET 46 5.715 -4.341 10.008 364 3HE MET 46 3HE MET 46 5.181 -4.736 8.374 365 H ARG 47 H ARG 47 7.275 -0.162 8.076 366 HA ARG 47 HA ARG 47 6.372 2.168 6.467 367 1HB ARG 47 1HB ARG 47 8.838 1.905 7.043 368 2HB ARG 47 2HB ARG 47 8.842 0.485 6.018 369 1HG ARG 47 1HG ARG 47 9.752 2.331 4.806 370 2HG ARG 47 2HG ARG 47 8.182 1.922 4.106 371 1HD ARG 47 1HD ARG 47 7.134 3.752 5.317 372 2HD ARG 47 2HD ARG 47 8.659 4.114 6.121 373 HE ARG 47 HE ARG 47 9.048 4.241 3.373 374 1HH1 ARG 47 1HH1 ARG 47 7.378 6.033 5.960 375 2HH1 ARG 47 2HH1 ARG 47 7.410 7.524 5.177 376 1HH2 ARG 47 1HH2 ARG 47 9.109 6.312 2.265 377 2HH2 ARG 47 2HH2 ARG 47 8.459 7.701 2.993 378 H ILE 48 H ILE 48 5.625 1.854 4.297 379 HA ILE 48 HA ILE 48 5.048 -0.951 3.657 380 HB ILE 48 HB ILE 48 3.231 1.447 3.324 381 1HG1 ILE 48 1HG1 ILE 48 1.548 -0.034 4.483 382 2HG1 ILE 48 2HG1 ILE 48 2.824 -1.210 4.724 383 1HG2 ILE 48 1HG2 ILE 48 1.626 0.012 2.140 384 2HG2 ILE 48 2HG2 ILE 48 2.875 -1.239 2.073 385 3HG2 ILE 48 3HG2 ILE 48 3.123 0.292 1.242 386 1HD1 ILE 48 1HD1 ILE 48 4.027 0.420 6.098 387 2HD1 ILE 48 2HD1 ILE 48 2.426 0.053 6.725 388 3HD1 ILE 48 3HD1 ILE 48 2.709 1.570 5.862 389 H GLN 49 H GLN 49 5.653 -1.712 1.797 390 HA GLN 49 HA GLN 49 6.320 0.106 -0.379 391 1HB GLN 49 1HB GLN 49 7.373 -2.695 0.093 392 2HB GLN 49 2HB GLN 49 7.696 -1.754 -1.344 393 1HG GLN 49 1HG GLN 49 9.616 -1.450 -0.169 394 2HG GLN 49 2HG GLN 49 8.702 -0.043 0.351 395 1HE2 GLN 49 1HE2 GLN 49 10.896 -1.386 1.614 396 2HE2 GLN 49 2HE2 GLN 49 10.370 -1.897 3.176 397 H LEU 50 H LEU 50 5.486 -0.427 -2.474 398 HA LEU 50 HA LEU 50 3.282 -2.400 -2.439 399 1HB LEU 50 1HB LEU 50 2.666 -0.015 -2.820 400 2HB LEU 50 2HB LEU 50 3.669 -0.017 -4.253 401 HG LEU 50 HG LEU 50 2.083 -1.866 -5.166 402 1HD1 LEU 50 1HD1 LEU 50 -0.035 -2.067 -4.242 403 2HD1 LEU 50 2HD1 LEU 50 0.437 -1.075 -2.860 404 3HD1 LEU 50 3HD1 LEU 50 1.224 -2.629 -3.146 405 1HD2 LEU 50 1HD2 LEU 50 1.975 0.443 -5.958 406 2HD2 LEU 50 2HD2 LEU 50 0.998 0.880 -4.574 407 3HD2 LEU 50 3HD2 LEU 50 0.357 -0.240 -5.785 408 H PHE 51 H PHE 51 3.455 -4.101 -3.814 409 HA PHE 51 HA PHE 51 5.395 -3.916 -6.015 410 1HB PHE 51 1HB PHE 51 4.704 -6.309 -4.302 411 2HB PHE 51 2HB PHE 51 5.667 -6.383 -5.769 412 HD1 PHE 51 HD1 PHE 51 7.931 -5.563 -5.800 413 HD2 PHE 51 HD2 PHE 51 5.600 -5.365 -2.254 414 HE1 PHE 51 HE1 PHE 51 9.964 -5.136 -4.495 415 HE2 PHE 51 HE2 PHE 51 7.644 -4.933 -0.945 416 HZ PHE 51 HZ PHE 51 9.815 -4.818 -2.070 417 H ASP 52 H ASP 52 4.668 -4.659 -8.045 418 HA ASP 52 HA ASP 52 1.854 -5.174 -8.088 419 1HB ASP 52 1HB ASP 52 2.039 -4.755 -10.481 420 2HB ASP 52 2HB ASP 52 2.488 -3.361 -9.526 421 H GLY 53 H GLY 53 1.618 -6.414 -10.452 422 1HA GLY 53 1HA GLY 53 1.859 -9.123 -9.627 423 2HA GLY 53 2HA GLY 53 1.254 -8.570 -11.175 424 H ASP 54 H ASP 54 4.072 -7.114 -11.370 425 HA ASP 54 HA ASP 54 5.297 -9.428 -12.600 426 1HB ASP 54 1HB ASP 54 5.858 -6.473 -12.795 427 2HB ASP 54 2HB ASP 54 6.867 -7.703 -13.550 428 H ASP 55 H ASP 55 5.197 -8.417 -9.662 429 HA ASP 55 HA ASP 55 6.350 -8.975 -7.796 430 1HB ASP 55 1HB ASP 55 7.223 -10.908 -9.037 431 2HB ASP 55 2HB ASP 55 8.517 -9.905 -9.651 432 H GLN 56 H GLN 56 7.707 -7.096 -10.154 433 HA GLN 56 HA GLN 56 9.837 -5.800 -8.881 434 1HB GLN 56 1HB GLN 56 9.371 -3.955 -10.499 435 2HB GLN 56 2HB GLN 56 9.582 -5.547 -11.216 436 1HG GLN 56 1HG GLN 56 7.168 -5.791 -11.382 437 2HG GLN 56 2HG GLN 56 6.948 -4.214 -10.642 438 1HE2 GLN 56 1HE2 GLN 56 5.813 -3.558 -12.375 439 2HE2 GLN 56 2HE2 GLN 56 6.518 -3.107 -13.898 440 H LEU 57 H LEU 57 9.950 -3.711 -8.040 441 HA LEU 57 HA LEU 57 7.883 -3.132 -6.131 442 1HB LEU 57 1HB LEU 57 10.270 -2.850 -5.566 443 2HB LEU 57 2HB LEU 57 10.413 -1.620 -6.801 444 HG LEU 57 HG LEU 57 8.877 -0.163 -5.518 445 1HD1 LEU 57 1HD1 LEU 57 9.026 -2.325 -3.432 446 2HD1 LEU 57 2HD1 LEU 57 7.596 -1.859 -4.355 447 3HD1 LEU 57 3HD1 LEU 57 8.319 -0.725 -3.217 448 1HD2 LEU 57 1HD2 LEU 57 10.424 0.363 -3.699 449 2HD2 LEU 57 2HD2 LEU 57 11.275 0.067 -5.214 450 3HD2 LEU 57 3HD2 LEU 57 11.249 -1.173 -3.956 451 H LYS 58 H LYS 58 6.277 -1.763 -6.369 452 HA LYS 58 HA LYS 58 5.989 -0.275 -8.864 453 1HB LYS 58 1HB LYS 58 4.197 -1.649 -7.447 454 2HB LYS 58 2HB LYS 58 4.101 -0.153 -6.542 455 1HG LYS 58 1HG LYS 58 3.593 -0.424 -9.500 456 2HG LYS 58 2HG LYS 58 2.349 -0.329 -8.258 457 1HD LYS 58 1HD LYS 58 3.072 1.928 -7.708 458 2HD LYS 58 2HD LYS 58 4.389 1.812 -8.877 459 1HE LYS 58 1HE LYS 58 1.459 1.628 -9.500 460 2HE LYS 58 2HE LYS 58 2.476 3.051 -9.784 461 1HZ LYS 58 1HZ LYS 58 3.784 1.701 -11.352 462 2HZ LYS 58 2HZ LYS 58 2.163 1.740 -11.808 463 3HZ LYS 58 3HZ LYS 58 2.776 0.381 -11.082 464 H GLY 59 H GLY 59 6.249 0.261 -5.399 465 1HA GLY 59 1HA GLY 59 7.899 2.426 -5.481 466 2HA GLY 59 2HA GLY 59 6.271 3.093 -5.593 467 H GLU 60 H GLU 60 7.520 3.893 -3.457 468 HA GLU 60 HA GLU 60 6.807 2.106 -1.289 469 1HB GLU 60 1HB GLU 60 9.098 3.006 -1.272 470 2HB GLU 60 2HB GLU 60 8.463 4.635 -1.387 471 1HG GLU 60 1HG GLU 60 7.451 4.414 0.814 472 2HG GLU 60 2HG GLU 60 8.040 2.757 0.921 473 H LEU 61 H LEU 61 5.084 2.562 -0.148 474 HA LEU 61 HA LEU 61 3.444 4.823 -1.004 475 1HB LEU 61 1HB LEU 61 2.783 2.434 0.729 476 2HB LEU 61 2HB LEU 61 1.663 3.655 0.152 477 HG LEU 61 HG LEU 61 3.139 1.691 -1.581 478 1HD1 LEU 61 1HD1 LEU 61 0.902 0.737 -1.933 479 2HD1 LEU 61 2HD1 LEU 61 0.250 1.858 -0.741 480 3HD1 LEU 61 3HD1 LEU 61 1.413 0.626 -0.251 481 1HD2 LEU 61 1HD2 LEU 61 2.748 3.804 -2.745 482 2HD2 LEU 61 2HD2 LEU 61 1.052 3.766 -2.271 483 3HD2 LEU 61 3HD2 LEU 61 1.687 2.544 -3.374 484 H THR 62 H THR 62 1.954 4.533 1.549 485 HA THR 62 HA THR 62 1.884 5.080 3.704 486 HB THR 62 HB THR 62 4.460 5.057 4.064 487 HG1 THR 62 HG1 THR 62 2.753 6.947 5.315 488 1HG2 THR 62 1HG2 THR 62 5.006 6.938 2.547 489 2HG2 THR 62 2HG2 THR 62 5.563 7.267 4.186 490 3HG2 THR 62 3HG2 THR 62 4.086 8.032 3.576 491 H ASP 63 H ASP 63 1.651 6.827 1.018 492 HA ASP 63 HA ASP 63 0.874 9.321 2.263 493 1HB ASP 63 1HB ASP 63 0.221 8.363 -0.498 494 2HB ASP 63 2HB ASP 63 0.111 9.997 0.080 495 H GLY 64 H GLY 64 -0.881 9.321 3.385 496 1HA GLY 64 1HA GLY 64 -3.168 7.735 2.426 497 2HA GLY 64 2HA GLY 64 -2.973 8.098 4.120 498 H ALA 65 H ALA 65 -2.113 10.713 2.226 499 HA ALA 65 HA ALA 65 -4.478 12.192 2.898 500 1HB ALA 65 1HB ALA 65 -3.423 14.017 1.621 501 2HB ALA 65 2HB ALA 65 -2.182 12.898 1.056 502 3HB ALA 65 3HB ALA 65 -2.296 13.299 2.771 503 H LYS 66 H LYS 66 -3.582 10.104 0.476 504 HA LYS 66 HA LYS 66 -5.816 10.894 -1.211 505 1HB LYS 66 1HB LYS 66 -4.470 9.940 -3.109 506 2HB LYS 66 2HB LYS 66 -3.867 11.451 -2.449 507 1HG LYS 66 1HG LYS 66 -2.202 10.170 -1.135 508 2HG LYS 66 2HG LYS 66 -2.766 8.693 -1.922 509 1HD LYS 66 1HD LYS 66 -1.639 11.101 -3.350 510 2HD LYS 66 2HD LYS 66 -0.729 9.637 -2.977 511 1HE LYS 66 1HE LYS 66 -2.264 8.329 -4.349 512 2HE LYS 66 2HE LYS 66 -3.217 9.764 -4.673 513 1HZ LYS 66 1HZ LYS 66 -1.760 9.219 -6.487 514 2HZ LYS 66 2HZ LYS 66 -0.397 9.389 -5.503 515 3HZ LYS 66 3HZ LYS 66 -1.374 10.719 -5.842 516 H SER 67 H SER 67 -6.496 8.782 -2.651 517 HA SER 67 HA SER 67 -7.005 6.869 -0.631 518 1HB SER 67 1HB SER 67 -8.499 5.981 -2.384 519 2HB SER 67 2HB SER 67 -8.871 7.618 -1.852 520 HG SER 67 HG SER 67 -8.789 8.026 -3.908 521 H LEU 68 H LEU 68 -7.041 4.733 -1.293 522 HA LEU 68 HA LEU 68 -4.516 3.720 -2.073 523 1HB LEU 68 1HB LEU 68 -7.207 2.405 -1.847 524 2HB LEU 68 2HB LEU 68 -5.683 1.547 -1.967 525 HG LEU 68 HG LEU 68 -6.332 3.459 0.291 526 1HD1 LEU 68 1HD1 LEU 68 -7.860 1.564 0.385 527 2HD1 LEU 68 2HD1 LEU 68 -6.680 1.514 1.693 528 3HD1 LEU 68 3HD1 LEU 68 -6.489 0.458 0.297 529 1HD2 LEU 68 1HD2 LEU 68 -4.442 2.331 1.384 530 2HD2 LEU 68 2HD2 LEU 68 -3.973 3.189 -0.078 531 3HD2 LEU 68 3HD2 LEU 68 -4.143 1.432 -0.100 532 H LYS 69 H LYS 69 -7.440 4.348 -3.734 533 HA LYS 69 HA LYS 69 -6.920 2.943 -6.167 534 1HB LYS 69 1HB LYS 69 -9.166 3.709 -5.608 535 2HB LYS 69 2HB LYS 69 -8.630 5.383 -5.638 536 1HG LYS 69 1HG LYS 69 -8.082 5.087 -8.065 537 2HG LYS 69 2HG LYS 69 -8.824 3.494 -7.981 538 1HD LYS 69 1HD LYS 69 -10.209 6.107 -7.369 539 2HD LYS 69 2HD LYS 69 -10.369 5.197 -8.867 540 1HE LYS 69 1HE LYS 69 -11.320 3.321 -7.629 541 2HE LYS 69 2HE LYS 69 -11.127 4.210 -6.122 542 1HZ LYS 69 1HZ LYS 69 -12.699 5.864 -6.939 543 2HZ LYS 69 2HZ LYS 69 -13.370 4.332 -6.914 544 3HZ LYS 69 3HZ LYS 69 -12.894 5.004 -8.382 545 H ASP 70 H ASP 70 -6.475 6.236 -5.075 546 HA ASP 70 HA ASP 70 -5.476 7.217 -7.563 547 1HB ASP 70 1HB ASP 70 -6.701 8.443 -5.748 548 2HB ASP 70 2HB ASP 70 -5.216 8.441 -4.850 549 H LEU 71 H LEU 71 -4.175 5.792 -4.812 550 HA LEU 71 HA LEU 71 -1.382 6.433 -5.246 551 1HB LEU 71 1HB LEU 71 -2.713 4.233 -3.695 552 2HB LEU 71 2HB LEU 71 -0.975 4.400 -3.793 553 HG LEU 71 HG LEU 71 -2.816 6.485 -2.573 554 1HD1 LEU 71 1HD1 LEU 71 -1.089 4.378 -1.330 555 2HD1 LEU 71 2HD1 LEU 71 -2.857 4.399 -1.323 556 3HD1 LEU 71 3HD1 LEU 71 -1.950 5.653 -0.475 557 1HD2 LEU 71 1HD2 LEU 71 -0.785 7.366 -1.703 558 2HD2 LEU 71 2HD2 LEU 71 -0.663 7.316 -3.462 559 3HD2 LEU 71 3HD2 LEU 71 0.173 6.108 -2.478 560 H GLY 72 H GLY 72 -3.570 4.314 -6.750 561 1HA GLY 72 1HA GLY 72 -3.138 3.061 -8.685 562 2HA GLY 72 2HA GLY 72 -1.415 3.200 -8.360 563 H VAL 73 H VAL 73 -3.197 2.342 -5.628 564 HA VAL 73 HA VAL 73 -2.077 -0.319 -5.698 565 HB VAL 73 HB VAL 73 -3.753 0.998 -3.535 566 1HG1 VAL 73 1HG1 VAL 73 -1.822 -1.294 -3.442 567 2HG1 VAL 73 2HG1 VAL 73 -3.578 -1.394 -3.417 568 3HG1 VAL 73 3HG1 VAL 73 -2.723 -0.639 -2.067 569 1HG2 VAL 73 1HG2 VAL 73 -0.757 0.942 -3.765 570 2HG2 VAL 73 2HG2 VAL 73 -1.680 1.598 -2.410 571 3HG2 VAL 73 3HG2 VAL 73 -1.772 2.358 -4.001 572 H ARG 74 H ARG 74 -3.355 -1.529 -7.015 573 HA ARG 74 HA ARG 74 -6.270 -1.380 -6.649 574 1HB ARG 74 1HB ARG 74 -4.721 -2.306 -9.070 575 2HB ARG 74 2HB ARG 74 -6.469 -2.242 -8.941 576 1HG ARG 74 1HG ARG 74 -6.373 0.191 -8.723 577 2HG ARG 74 2HG ARG 74 -4.614 0.132 -8.830 578 1HD ARG 74 1HD ARG 74 -4.819 -0.906 -11.047 579 2HD ARG 74 2HD ARG 74 -6.572 -0.747 -10.934 580 HE ARG 74 HE ARG 74 -5.450 1.767 -10.527 581 1HH1 ARG 74 1HH1 ARG 74 -5.794 -0.569 -13.174 582 2HH1 ARG 74 2HH1 ARG 74 -5.715 0.627 -14.394 583 1HH2 ARG 74 1HH2 ARG 74 -5.330 3.337 -12.184 584 2HH2 ARG 74 2HH2 ARG 74 -5.440 2.875 -13.841 585 H ASP 75 H ASP 75 -7.196 -3.637 -7.586 586 HA ASP 75 HA ASP 75 -6.388 -5.501 -5.621 587 1HB ASP 75 1HB ASP 75 -8.005 -7.044 -6.544 588 2HB ASP 75 2HB ASP 75 -8.701 -5.455 -6.308 589 H GLY 76 H GLY 76 -5.455 -7.218 -5.694 590 1HA GLY 76 1HA GLY 76 -4.157 -9.040 -6.611 591 2HA GLY 76 2HA GLY 76 -4.178 -8.213 -8.161 592 H TYR 77 H TYR 77 -3.337 -5.801 -6.210 593 HA TYR 77 HA TYR 77 -0.519 -6.191 -6.744 594 1HB TYR 77 1HB TYR 77 -2.092 -3.853 -5.628 595 2HB TYR 77 2HB TYR 77 -0.338 -3.860 -5.692 596 HD1 TYR 77 HD1 TYR 77 0.677 -2.891 -7.528 597 HD2 TYR 77 HD2 TYR 77 -3.277 -4.381 -7.972 598 HE1 TYR 77 HE1 TYR 77 0.610 -2.017 -9.826 599 HE2 TYR 77 HE2 TYR 77 -3.351 -3.509 -10.270 600 HH TYR 77 HH TYR 77 -2.246 -1.759 -11.624 601 H ARG 78 H ARG 78 1.099 -6.228 -5.088 602 HA ARG 78 HA ARG 78 -0.187 -6.986 -2.634 603 1HB ARG 78 1HB ARG 78 1.557 -8.554 -2.084 604 2HB ARG 78 2HB ARG 78 0.801 -8.924 -3.611 605 1HG ARG 78 1HG ARG 78 2.776 -8.125 -4.786 606 2HG ARG 78 2HG ARG 78 3.533 -7.726 -3.227 607 1HD ARG 78 1HD ARG 78 3.193 -10.038 -2.492 608 2HD ARG 78 2HD ARG 78 2.524 -10.429 -4.060 609 HE ARG 78 HE ARG 78 5.082 -9.436 -4.451 610 1HH1 ARG 78 1HH1 ARG 78 3.413 -12.224 -2.992 611 2HH1 ARG 78 2HH1 ARG 78 4.780 -13.253 -3.078 612 1HH2 ARG 78 1HH2 ARG 78 6.939 -10.908 -4.603 613 2HH2 ARG 78 2HH2 ARG 78 6.802 -12.500 -3.981 614 H ILE 79 H ILE 79 0.379 -6.351 -0.794 615 HA ILE 79 HA ILE 79 2.039 -3.969 -0.806 616 HB ILE 79 HB ILE 79 -0.330 -4.749 0.921 617 1HG1 ILE 79 1HG1 ILE 79 -1.286 -2.569 0.166 618 2HG1 ILE 79 2HG1 ILE 79 0.135 -2.305 -0.821 619 1HG2 ILE 79 1HG2 ILE 79 1.324 -3.810 2.409 620 2HG2 ILE 79 2HG2 ILE 79 -0.008 -2.664 2.187 621 3HG2 ILE 79 3HG2 ILE 79 1.517 -2.432 1.326 622 1HD1 ILE 79 1HD1 ILE 79 -1.864 -4.538 -1.221 623 2HD1 ILE 79 2HD1 ILE 79 -0.471 -4.145 -2.252 624 3HD1 ILE 79 3HD1 ILE 79 -1.801 -3.018 -2.118 625 H HIS 80 H HIS 80 3.815 -4.017 0.281 626 HA HIS 80 HA HIS 80 4.343 -6.201 2.183 627 1HB HIS 80 1HB HIS 80 5.803 -6.278 0.259 628 2HB HIS 80 2HB HIS 80 6.147 -4.558 0.411 629 HD1 HIS 80 HD1 HIS 80 6.692 -7.777 2.268 630 HD2 HIS 80 HD2 HIS 80 8.261 -3.962 1.934 631 HE1 HIS 80 HE1 HIS 80 8.670 -7.767 3.819 632 HE2 HIS 80 HE2 HIS 80 9.852 -5.606 3.180 633 H ALA 81 H ALA 81 4.595 -5.629 4.190 634 HA ALA 81 HA ALA 81 5.231 -2.823 4.759 635 1HB ALA 81 1HB ALA 81 3.974 -3.103 6.841 636 2HB ALA 81 2HB ALA 81 3.608 -4.770 6.397 637 3HB ALA 81 3HB ALA 81 2.958 -3.442 5.440 638 H VAL 82 H VAL 82 6.844 -2.407 6.209 639 HA VAL 82 HA VAL 82 8.310 -4.744 7.109 640 HB VAL 82 HB VAL 82 9.491 -3.824 5.188 641 1HG1 VAL 82 1HG1 VAL 82 8.672 -1.559 5.214 642 2HG1 VAL 82 2HG1 VAL 82 10.438 -1.571 5.179 643 3HG1 VAL 82 3HG1 VAL 82 9.585 -1.236 6.690 644 1HG2 VAL 82 1HG2 VAL 82 10.913 -4.714 6.972 645 2HG2 VAL 82 2HG2 VAL 82 10.933 -3.141 7.751 646 3HG2 VAL 82 3HG2 VAL 82 11.701 -3.350 6.181 647 H ASP 83 H ASP 83 8.907 -4.739 9.150 648 HA ASP 83 HA ASP 83 7.838 -2.839 10.917 649 1HB ASP 83 1HB ASP 83 9.673 -5.165 11.371 650 2HB ASP 83 2HB ASP 83 8.683 -4.343 12.555 651 H VAL 84 H VAL 84 8.923 -0.998 11.171 652 HA VAL 84 HA VAL 84 11.794 -0.885 10.848 653 HB VAL 84 HB VAL 84 9.896 1.251 11.823 654 1HG1 VAL 84 1HG1 VAL 84 12.733 1.493 10.814 655 2HG1 VAL 84 2HG1 VAL 84 12.194 1.723 12.475 656 3HG1 VAL 84 3HG1 VAL 84 11.680 2.849 11.216 657 1HG2 VAL 84 1HG2 VAL 84 10.024 2.176 9.534 658 2HG2 VAL 84 2HG2 VAL 84 9.310 0.562 9.571 659 3HG2 VAL 84 3HG2 VAL 84 10.977 0.774 9.045 660 H THR 85 H THR 85 9.428 -0.725 13.392 661 HA THR 85 HA THR 85 11.293 -0.243 15.485 662 HB THR 85 HB THR 85 8.957 0.449 15.654 663 HG1 THR 85 HG1 THR 85 9.955 0.160 17.593 664 1HG2 THR 85 1HG2 THR 85 7.167 -1.192 16.117 665 2HG2 THR 85 2HG2 THR 85 8.313 -2.497 15.810 666 3HG2 THR 85 3HG2 THR 85 7.863 -1.398 14.508 667 H GLY 86 H GLY 86 9.982 -3.066 14.032 668 1HA GLY 86 1HA GLY 86 10.969 -4.793 16.166 669 2HA GLY 86 2HA GLY 86 10.056 -5.309 14.758 670 H GLY 87 H GLY 87 12.316 -3.359 13.530 671 1HA GLY 87 1HA GLY 87 14.331 -3.683 12.465 672 2HA GLY 87 2HA GLY 87 14.647 -4.993 13.598 673 H ASN 88 H ASN 88 15.529 -5.385 11.058 674 HA ASN 88 HA ASN 88 13.509 -6.698 9.557 675 1HB ASN 88 1HB ASN 88 15.313 -5.429 8.449 676 2HB ASN 88 2HB ASN 88 16.496 -6.538 9.136 677 1HD2 ASN 88 1HD2 ASN 88 13.370 -7.503 7.950 678 2HD2 ASN 88 2HD2 ASN 88 13.881 -8.424 6.650 679 H GLU 89 H GLU 89 12.948 -8.682 9.813 680 HA GLU 89 HA GLU 89 12.752 -10.779 10.550 681 1HB GLU 89 1HB GLU 89 15.613 -10.898 9.610 682 2HB GLU 89 2HB GLU 89 14.622 -12.309 9.959 683 1HG GLU 89 1HG GLU 89 13.066 -11.672 8.203 684 2HG GLU 89 2HG GLU 89 14.011 -10.221 7.882 685 H ASP 90 H ASP 90 12.370 -10.294 12.674 686 HA ASP 90 HA ASP 90 14.462 -11.165 14.515 687 1HB ASP 90 1HB ASP 90 14.424 -8.748 14.666 688 2HB ASP 90 2HB ASP 90 12.674 -8.748 14.823 Start of MODEL 20 1 H MET 1 H MET 1 -16.935 3.903 -8.329 2 HA MET 1 HA MET 1 -17.499 5.733 -6.962 3 1HB MET 1 1HB MET 1 -19.925 5.726 -7.418 4 2HB MET 1 2HB MET 1 -20.087 4.217 -6.535 5 1HG MET 1 1HG MET 1 -19.371 5.347 -4.481 6 2HG MET 1 2HG MET 1 -19.210 6.857 -5.374 7 1HE MET 1 1HE MET 1 -22.934 7.539 -6.434 8 2HE MET 1 2HE MET 1 -21.772 6.601 -7.355 9 3HE MET 1 3HE MET 1 -21.263 8.089 -6.550 10 H THR 2 H THR 2 -18.839 2.473 -6.050 11 HA THR 2 HA THR 2 -16.756 2.444 -4.052 12 HB THR 2 HB THR 2 -17.980 0.406 -3.204 13 HG1 THR 2 HG1 THR 2 -20.238 1.220 -4.611 14 1HG2 THR 2 1HG2 THR 2 -19.552 2.981 -3.343 15 2HG2 THR 2 2HG2 THR 2 -18.314 2.581 -2.153 16 3HG2 THR 2 3HG2 THR 2 -19.830 1.684 -2.187 17 H GLU 3 H GLU 3 -14.935 1.601 -4.684 18 HA GLU 3 HA GLU 3 -14.989 -0.618 -6.563 19 1HB GLU 3 1HB GLU 3 -12.885 1.404 -5.970 20 2HB GLU 3 2HB GLU 3 -12.568 -0.070 -6.870 21 1HG GLU 3 1HG GLU 3 -12.882 1.523 -8.474 22 2HG GLU 3 2HG GLU 3 -14.366 0.638 -8.400 23 H VAL 4 H VAL 4 -13.631 -2.376 -6.016 24 HA VAL 4 HA VAL 4 -12.531 -2.304 -3.344 25 HB VAL 4 HB VAL 4 -13.288 -4.658 -2.933 26 1HG1 VAL 4 1HG1 VAL 4 -15.502 -2.658 -3.361 27 2HG1 VAL 4 2HG1 VAL 4 -14.502 -2.816 -1.915 28 3HG1 VAL 4 3HG1 VAL 4 -15.610 -4.111 -2.371 29 1HG2 VAL 4 1HG2 VAL 4 -13.692 -5.326 -5.244 30 2HG2 VAL 4 2HG2 VAL 4 -15.037 -4.189 -5.348 31 3HG2 VAL 4 3HG2 VAL 4 -15.124 -5.568 -4.249 32 H TYR 5 H TYR 5 -10.705 -3.333 -3.088 33 HA TYR 5 HA TYR 5 -9.542 -4.733 -5.409 34 1HB TYR 5 1HB TYR 5 -7.340 -3.839 -4.663 35 2HB TYR 5 2HB TYR 5 -8.440 -2.590 -5.221 36 HD1 TYR 5 HD1 TYR 5 -7.396 -4.244 -2.017 37 HD2 TYR 5 HD2 TYR 5 -8.605 -0.668 -3.935 38 HE1 TYR 5 HE1 TYR 5 -7.010 -3.017 0.060 39 HE2 TYR 5 HE2 TYR 5 -8.225 0.558 -1.808 40 HH TYR 5 HH TYR 5 -8.163 0.133 0.491 41 H ASP 6 H ASP 6 -8.605 -6.597 -5.057 42 HA ASP 6 HA ASP 6 -8.353 -7.468 -2.282 43 1HB ASP 6 1HB ASP 6 -8.226 -9.041 -4.839 44 2HB ASP 6 2HB ASP 6 -7.887 -9.726 -3.266 45 H LEU 7 H LEU 7 -6.498 -7.448 -1.444 46 HA LEU 7 HA LEU 7 -4.169 -7.258 -3.188 47 1HB LEU 7 1HB LEU 7 -4.734 -5.822 -0.628 48 2HB LEU 7 2HB LEU 7 -3.167 -5.903 -1.388 49 HG LEU 7 HG LEU 7 -5.636 -4.597 -2.522 50 1HD1 LEU 7 1HD1 LEU 7 -3.081 -3.414 -1.467 51 2HD1 LEU 7 2HD1 LEU 7 -4.651 -3.366 -0.669 52 3HD1 LEU 7 3HD1 LEU 7 -4.411 -2.517 -2.194 53 1HD2 LEU 7 1HD2 LEU 7 -4.156 -3.759 -4.278 54 2HD2 LEU 7 2HD2 LEU 7 -4.271 -5.511 -4.303 55 3HD2 LEU 7 3HD2 LEU 7 -2.837 -4.730 -3.625 56 H GLU 8 H GLU 8 -2.298 -8.051 -2.341 57 HA GLU 8 HA GLU 8 -2.665 -10.071 -0.237 58 1HB GLU 8 1HB GLU 8 -2.122 -10.867 -2.489 59 2HB GLU 8 2HB GLU 8 -0.675 -9.864 -2.496 60 1HG GLU 8 1HG GLU 8 0.243 -11.178 -0.699 61 2HG GLU 8 2HG GLU 8 -1.241 -12.131 -0.604 62 H ILE 9 H ILE 9 -1.940 -9.441 1.511 63 HA ILE 9 HA ILE 9 -0.089 -7.186 1.660 64 HB ILE 9 HB ILE 9 -1.652 -8.516 3.874 65 1HG1 ILE 9 1HG1 ILE 9 -3.226 -7.566 2.250 66 2HG1 ILE 9 2HG1 ILE 9 -3.235 -6.616 3.728 67 1HG2 ILE 9 1HG2 ILE 9 -0.242 -5.851 3.802 68 2HG2 ILE 9 2HG2 ILE 9 0.276 -7.287 4.683 69 3HG2 ILE 9 3HG2 ILE 9 -1.213 -6.465 5.141 70 1HD1 ILE 9 1HD1 ILE 9 -1.856 -5.903 1.149 71 2HD1 ILE 9 2HD1 ILE 9 -1.819 -4.937 2.626 72 3HD1 ILE 9 3HD1 ILE 9 -3.345 -5.193 1.774 73 H THR 10 H THR 10 1.862 -7.398 2.365 74 HA THR 10 HA THR 10 2.697 -9.888 3.654 75 HB THR 10 HB THR 10 4.964 -9.429 2.655 76 HG1 THR 10 HG1 THR 10 3.419 -7.615 1.144 77 1HG2 THR 10 1HG2 THR 10 3.542 -11.167 1.794 78 2HG2 THR 10 2HG2 THR 10 4.444 -10.389 0.484 79 3HG2 THR 10 3HG2 THR 10 2.723 -10.013 0.731 80 H THR 11 H THR 11 4.578 -9.554 5.029 81 HA THR 11 HA THR 11 5.158 -6.880 5.835 82 HB THR 11 HB THR 11 4.256 -8.845 7.896 83 HG1 THR 11 HG1 THR 11 2.670 -7.341 6.204 84 1HG2 THR 11 1HG2 THR 11 4.500 -5.831 7.961 85 2HG2 THR 11 2HG2 THR 11 5.566 -6.999 8.747 86 3HG2 THR 11 3HG2 THR 11 3.909 -6.808 9.301 87 H ASN 12 H ASN 12 6.768 -7.121 7.475 88 HA ASN 12 HA ASN 12 8.774 -8.982 6.574 89 1HB ASN 12 1HB ASN 12 10.297 -7.717 7.948 90 2HB ASN 12 2HB ASN 12 9.321 -6.636 6.960 91 1HD2 ASN 12 1HD2 ASN 12 10.783 -5.960 9.369 92 2HD2 ASN 12 2HD2 ASN 12 9.630 -5.464 10.542 93 H ALA 13 H ALA 13 6.477 -8.881 9.027 94 HA ALA 13 HA ALA 13 7.947 -10.653 10.764 95 1HB ALA 13 1HB ALA 13 6.798 -8.771 11.794 96 2HB ALA 13 2HB ALA 13 6.134 -10.299 12.370 97 3HB ALA 13 3HB ALA 13 5.262 -9.354 11.165 98 H THR 14 H THR 14 5.510 -10.716 8.327 99 HA THR 14 HA THR 14 4.460 -13.263 9.235 100 HB THR 14 HB THR 14 2.751 -12.791 7.431 101 HG1 THR 14 HG1 THR 14 3.326 -11.254 6.144 102 1HG2 THR 14 1HG2 THR 14 2.288 -12.316 9.811 103 2HG2 THR 14 2HG2 THR 14 1.542 -11.109 8.768 104 3HG2 THR 14 3HG2 THR 14 3.031 -10.726 9.631 105 H ASP 15 H ASP 15 4.451 -15.016 7.859 106 HA ASP 15 HA ASP 15 6.399 -14.886 5.653 107 1HB ASP 15 1HB ASP 15 5.382 -17.273 7.200 108 2HB ASP 15 2HB ASP 15 6.456 -17.380 5.815 109 H PHE 16 H PHE 16 3.176 -15.836 6.510 110 HA PHE 16 HA PHE 16 2.649 -16.610 3.767 111 1HB PHE 16 1HB PHE 16 1.899 -18.126 5.572 112 2HB PHE 16 2HB PHE 16 0.909 -16.835 6.239 113 HD1 PHE 16 HD1 PHE 16 -1.311 -16.625 5.556 114 HD2 PHE 16 HD2 PHE 16 1.416 -18.838 3.156 115 HE1 PHE 16 HE1 PHE 16 -3.166 -17.346 4.111 116 HE2 PHE 16 HE2 PHE 16 -0.430 -19.561 1.709 117 HZ PHE 16 HZ PHE 16 -2.725 -18.817 2.184 118 HA PRO 17 HA PRO 17 1.173 -12.408 3.152 119 1HB PRO 17 1HB PRO 17 0.059 -13.585 0.681 120 2HB PRO 17 2HB PRO 17 1.171 -12.225 0.880 121 1HG PRO 17 1HG PRO 17 2.034 -14.550 -0.064 122 2HG PRO 17 2HG PRO 17 3.027 -13.595 1.051 123 1HD PRO 17 1HD PRO 17 1.353 -16.010 1.611 124 2HD PRO 17 2HD PRO 17 2.985 -15.579 2.186 125 H MET 18 H MET 18 -0.737 -11.382 3.431 126 HA MET 18 HA MET 18 -3.058 -13.086 4.047 127 1HB MET 18 1HB MET 18 -2.052 -11.671 5.855 128 2HB MET 18 2HB MET 18 -2.430 -10.251 4.907 129 1HG MET 18 1HG MET 18 -4.827 -10.800 5.095 130 2HG MET 18 2HG MET 18 -4.404 -12.179 6.110 131 1HE MET 18 1HE MET 18 -5.861 -9.787 8.815 132 2HE MET 18 2HE MET 18 -5.853 -11.427 8.164 133 3HE MET 18 3HE MET 18 -6.462 -10.090 7.186 134 H GLU 19 H GLU 19 -4.720 -12.944 2.624 135 HA GLU 19 HA GLU 19 -4.729 -10.669 0.752 136 1HB GLU 19 1HB GLU 19 -5.905 -13.390 0.483 137 2HB GLU 19 2HB GLU 19 -6.012 -12.128 -0.722 138 1HG GLU 19 1HG GLU 19 -3.650 -12.145 -1.082 139 2HG GLU 19 2HG GLU 19 -3.408 -13.277 0.246 140 H LYS 20 H LYS 20 -6.260 -9.250 1.020 141 HA LYS 20 HA LYS 20 -8.851 -10.100 1.839 142 1HB LYS 20 1HB LYS 20 -7.171 -8.122 3.235 143 2HB LYS 20 2HB LYS 20 -8.923 -7.988 3.205 144 1HG LYS 20 1HG LYS 20 -9.088 -10.270 4.133 145 2HG LYS 20 2HG LYS 20 -7.330 -10.355 4.174 146 1HD LYS 20 1HD LYS 20 -8.229 -9.901 6.300 147 2HD LYS 20 2HD LYS 20 -7.282 -8.506 5.722 148 1HE LYS 20 1HE LYS 20 -9.336 -7.737 6.828 149 2HE LYS 20 2HE LYS 20 -9.416 -7.393 5.113 150 1HZ LYS 20 1HZ LYS 20 -10.727 -9.709 6.447 151 2HZ LYS 20 2HZ LYS 20 -10.871 -9.309 4.820 152 3HZ LYS 20 3HZ LYS 20 -11.471 -8.284 5.985 153 H LYS 21 H LYS 21 -10.447 -8.533 1.456 154 HA LYS 21 HA LYS 21 -9.940 -6.904 -0.931 155 1HB LYS 21 1HB LYS 21 -11.509 -8.769 -1.138 156 2HB LYS 21 2HB LYS 21 -12.464 -8.134 0.186 157 1HG LYS 21 1HG LYS 21 -12.952 -6.131 -1.177 158 2HG LYS 21 2HG LYS 21 -12.056 -6.849 -2.513 159 1HD LYS 21 1HD LYS 21 -14.457 -8.158 -1.211 160 2HD LYS 21 2HD LYS 21 -14.584 -7.097 -2.602 161 1HE LYS 21 1HE LYS 21 -14.668 -9.435 -3.312 162 2HE LYS 21 2HE LYS 21 -13.201 -8.682 -3.904 163 1HZ LYS 21 1HZ LYS 21 -11.913 -9.875 -2.306 164 2HZ LYS 21 2HZ LYS 21 -12.927 -10.972 -3.034 165 3HZ LYS 21 3HZ LYS 21 -13.277 -10.440 -1.483 166 H TYR 22 H TYR 22 -9.977 -4.760 -0.618 167 HA TYR 22 HA TYR 22 -11.734 -3.627 1.466 168 1HB TYR 22 1HB TYR 22 -8.925 -2.655 0.839 169 2HB TYR 22 2HB TYR 22 -10.034 -1.893 1.954 170 HD1 TYR 22 HD1 TYR 22 -10.650 -3.153 4.075 171 HD2 TYR 22 HD2 TYR 22 -7.473 -4.377 1.524 172 HE1 TYR 22 HE1 TYR 22 -9.662 -4.447 5.919 173 HE2 TYR 22 HE2 TYR 22 -6.485 -5.669 3.361 174 HH TYR 22 HH TYR 22 -6.502 -5.753 5.785 175 HA PRO 23 HA PRO 23 -13.037 -0.900 -1.852 176 1HB PRO 23 1HB PRO 23 -13.109 1.384 -0.003 177 2HB PRO 23 2HB PRO 23 -14.440 0.605 -0.859 178 1HG PRO 23 1HG PRO 23 -14.139 0.351 1.786 179 2HG PRO 23 2HG PRO 23 -14.745 -0.980 0.785 180 1HD PRO 23 1HD PRO 23 -12.005 -0.558 1.914 181 2HD PRO 23 2HD PRO 23 -12.976 -2.046 1.831 182 H ALA 24 H ALA 24 -12.092 0.393 -3.359 183 HA ALA 24 HA ALA 24 -9.373 1.214 -3.097 184 1HB ALA 24 1HB ALA 24 -10.479 0.656 -5.275 185 2HB ALA 24 2HB ALA 24 -9.528 2.133 -5.273 186 3HB ALA 24 3HB ALA 24 -11.286 2.230 -5.182 187 H GLY 25 H GLY 25 -12.238 2.765 -2.406 188 1HA GLY 25 1HA GLY 25 -11.159 5.441 -2.285 189 2HA GLY 25 2HA GLY 25 -12.748 4.947 -1.721 190 H MET 26 H MET 26 -10.860 2.792 -0.273 191 HA MET 26 HA MET 26 -11.022 4.057 2.274 192 1HB MET 26 1HB MET 26 -11.217 1.642 1.935 193 2HB MET 26 2HB MET 26 -9.537 1.552 1.427 194 1HG MET 26 1HG MET 26 -9.495 0.764 3.608 195 2HG MET 26 2HG MET 26 -9.047 2.450 3.805 196 1HE MET 26 1HE MET 26 -10.694 4.313 4.874 197 2HE MET 26 2HE MET 26 -12.275 3.927 5.528 198 3HE MET 26 3HE MET 26 -12.071 4.006 3.793 199 H SER 27 H SER 27 -9.233 4.630 3.614 200 HA SER 27 HA SER 27 -7.042 5.911 2.200 201 1HB SER 27 1HB SER 27 -6.544 6.723 4.482 202 2HB SER 27 2HB SER 27 -8.162 7.146 3.940 203 HG SER 27 HG SER 27 -8.347 6.358 5.984 204 H LEU 28 H LEU 28 -4.917 5.471 2.468 205 HA LEU 28 HA LEU 28 -4.178 2.781 3.049 206 1HB LEU 28 1HB LEU 28 -3.029 4.614 1.620 207 2HB LEU 28 2HB LEU 28 -2.380 5.167 3.111 208 HG LEU 28 HG LEU 28 -0.730 3.843 1.804 209 1HD1 LEU 28 1HD1 LEU 28 0.103 2.450 3.590 210 2HD1 LEU 28 2HD1 LEU 28 -1.417 2.655 4.467 211 3HD1 LEU 28 3HD1 LEU 28 -0.376 4.047 4.160 212 1HD2 LEU 28 1HD2 LEU 28 -0.929 1.409 1.715 213 2HD2 LEU 28 2HD2 LEU 28 -2.205 2.219 0.807 214 3HD2 LEU 28 3HD2 LEU 28 -2.554 1.523 2.389 215 H ASN 29 H ASN 29 -4.498 5.669 4.820 216 HA ASN 29 HA ASN 29 -3.050 5.006 7.170 217 1HB ASN 29 1HB ASN 29 -5.377 6.888 6.862 218 2HB ASN 29 2HB ASN 29 -4.588 6.610 8.412 219 1HD2 ASN 29 1HD2 ASN 29 -4.747 9.061 6.934 220 2HD2 ASN 29 2HD2 ASN 29 -3.121 9.543 6.591 221 H ASP 30 H ASP 30 -6.289 4.147 6.205 222 HA ASP 30 HA ASP 30 -6.987 2.971 8.701 223 1HB ASP 30 1HB ASP 30 -8.654 3.597 6.959 224 2HB ASP 30 2HB ASP 30 -8.009 2.343 5.928 225 H LEU 31 H LEU 31 -5.655 1.784 5.753 226 HA LEU 31 HA LEU 31 -5.444 -1.000 6.455 227 1HB LEU 31 1HB LEU 31 -5.288 0.001 4.144 228 2HB LEU 31 2HB LEU 31 -3.717 0.572 4.576 229 HG LEU 31 HG LEU 31 -2.872 -1.709 4.878 230 1HD1 LEU 31 1HD1 LEU 31 -4.916 -2.830 5.550 231 2HD1 LEU 31 2HD1 LEU 31 -4.201 -3.633 4.154 232 3HD1 LEU 31 3HD1 LEU 31 -5.600 -2.582 3.944 233 1HD2 LEU 31 1HD2 LEU 31 -2.885 -2.380 2.520 234 2HD2 LEU 31 2HD2 LEU 31 -2.632 -0.647 2.704 235 3HD2 LEU 31 3HD2 LEU 31 -4.213 -1.259 2.214 236 H LYS 32 H LYS 32 -3.075 1.590 6.558 237 HA LYS 32 HA LYS 32 -1.060 -0.068 7.765 238 1HB LYS 32 1HB LYS 32 0.190 1.930 8.411 239 2HB LYS 32 2HB LYS 32 -0.417 2.157 6.779 240 1HG LYS 32 1HG LYS 32 -2.136 3.535 7.536 241 2HG LYS 32 2HG LYS 32 -1.774 3.232 9.229 242 1HD LYS 32 1HD LYS 32 -0.924 5.444 8.615 243 2HD LYS 32 2HD LYS 32 0.429 4.362 8.928 244 1HE LYS 32 1HE LYS 32 0.783 4.084 6.544 245 2HE LYS 32 2HE LYS 32 -0.647 5.047 6.196 246 1HZ LYS 32 1HZ LYS 32 1.385 6.396 5.974 247 2HZ LYS 32 2HZ LYS 32 1.823 6.042 7.544 248 3HZ LYS 32 3HZ LYS 32 0.443 6.956 7.249 249 H LYS 33 H LYS 33 -3.738 1.814 9.212 250 HA LYS 33 HA LYS 33 -2.901 1.573 11.879 251 1HB LYS 33 1HB LYS 33 -4.802 2.961 10.708 252 2HB LYS 33 2HB LYS 33 -5.744 1.496 10.887 253 1HG LYS 33 1HG LYS 33 -6.382 2.693 12.732 254 2HG LYS 33 2HG LYS 33 -5.079 1.707 13.393 255 1HD LYS 33 1HD LYS 33 -4.912 4.620 12.549 256 2HD LYS 33 2HD LYS 33 -4.818 3.938 14.168 257 1HE LYS 33 1HE LYS 33 -2.738 2.774 13.515 258 2HE LYS 33 2HE LYS 33 -2.871 3.558 11.944 259 1HZ LYS 33 1HZ LYS 33 -2.541 5.000 14.511 260 2HZ LYS 33 2HZ LYS 33 -2.534 5.675 12.944 261 3HZ LYS 33 3HZ LYS 33 -1.334 4.581 13.409 262 H LYS 34 H LYS 34 -4.710 -0.566 9.662 263 HA LYS 34 HA LYS 34 -5.497 -2.542 11.391 264 1HB LYS 34 1HB LYS 34 -4.941 -2.033 8.566 265 2HB LYS 34 2HB LYS 34 -5.235 -3.677 8.903 266 1HG LYS 34 1HG LYS 34 -7.092 -1.365 9.498 267 2HG LYS 34 2HG LYS 34 -7.194 -2.412 8.084 268 1HD LYS 34 1HD LYS 34 -7.464 -3.353 10.940 269 2HD LYS 34 2HD LYS 34 -8.822 -3.007 9.872 270 1HE LYS 34 1HE LYS 34 -8.021 -4.722 8.300 271 2HE LYS 34 2HE LYS 34 -6.672 -5.080 9.368 272 1HZ LYS 34 1HZ LYS 34 -9.540 -5.420 10.010 273 2HZ LYS 34 2HZ LYS 34 -8.262 -5.758 11.061 274 3HZ LYS 34 3HZ LYS 34 -8.462 -6.663 9.657 275 H LEU 35 H LEU 35 -2.586 -2.006 9.445 276 HA LEU 35 HA LEU 35 -1.255 -4.404 10.063 277 1HB LEU 35 1HB LEU 35 -0.336 -1.724 9.087 278 2HB LEU 35 2HB LEU 35 0.668 -3.137 9.040 279 HG LEU 35 HG LEU 35 -1.898 -2.714 7.513 280 1HD1 LEU 35 1HD1 LEU 35 0.948 -2.893 6.610 281 2HD1 LEU 35 2HD1 LEU 35 -0.057 -1.442 6.609 282 3HD1 LEU 35 3HD1 LEU 35 -0.449 -2.793 5.543 283 1HD2 LEU 35 1HD2 LEU 35 -1.400 -4.831 6.409 284 2HD2 LEU 35 2HD2 LEU 35 -1.685 -5.056 8.131 285 3HD2 LEU 35 3HD2 LEU 35 -0.037 -5.092 7.496 286 H GLU 36 H GLU 36 -1.006 -1.067 11.292 287 HA GLU 36 HA GLU 36 0.935 -1.322 13.197 288 1HB GLU 36 1HB GLU 36 -1.489 0.361 12.879 289 2HB GLU 36 2HB GLU 36 -0.490 0.577 14.279 290 1HG GLU 36 1HG GLU 36 1.398 1.077 12.773 291 2HG GLU 36 2HG GLU 36 0.312 0.935 11.397 292 H LEU 37 H LEU 37 -2.416 -2.225 13.273 293 HA LEU 37 HA LEU 37 -2.577 -2.543 16.097 294 1HB LEU 37 1HB LEU 37 -4.530 -2.139 14.539 295 2HB LEU 37 2HB LEU 37 -4.287 -3.747 13.944 296 HG LEU 37 HG LEU 37 -4.843 -4.713 16.098 297 1HD1 LEU 37 1HD1 LEU 37 -4.055 -2.923 17.561 298 2HD1 LEU 37 2HD1 LEU 37 -5.739 -3.316 17.896 299 3HD1 LEU 37 3HD1 LEU 37 -5.342 -1.867 16.975 300 1HD2 LEU 37 1HD2 LEU 37 -6.857 -2.713 15.103 301 2HD2 LEU 37 2HD2 LEU 37 -7.216 -4.111 16.114 302 3HD2 LEU 37 3HD2 LEU 37 -6.611 -4.341 14.474 303 H VAL 38 H VAL 38 -1.638 -4.566 13.448 304 HA VAL 38 HA VAL 38 -1.697 -6.975 15.068 305 HB VAL 38 HB VAL 38 -0.821 -6.587 12.190 306 1HG1 VAL 38 1HG1 VAL 38 -1.311 -9.134 13.733 307 2HG1 VAL 38 2HG1 VAL 38 0.252 -8.542 13.171 308 3HG1 VAL 38 3HG1 VAL 38 -0.975 -9.032 12.004 309 1HG2 VAL 38 1HG2 VAL 38 -3.392 -7.687 13.327 310 2HG2 VAL 38 2HG2 VAL 38 -2.960 -7.651 11.617 311 3HG2 VAL 38 3HG2 VAL 38 -3.195 -6.142 12.502 312 H VAL 39 H VAL 39 0.698 -4.852 13.553 313 HA VAL 39 HA VAL 39 2.857 -6.502 14.618 314 HB VAL 39 HB VAL 39 3.149 -3.934 13.040 315 1HG1 VAL 39 1HG1 VAL 39 5.046 -6.243 13.456 316 2HG1 VAL 39 2HG1 VAL 39 5.172 -4.644 14.188 317 3HG1 VAL 39 3HG1 VAL 39 5.355 -4.830 12.444 318 1HG2 VAL 39 1HG2 VAL 39 3.012 -6.756 11.973 319 2HG2 VAL 39 2HG2 VAL 39 3.411 -5.321 11.027 320 3HG2 VAL 39 3HG2 VAL 39 1.801 -5.497 11.730 321 H GLY 40 H GLY 40 1.157 -3.640 15.550 322 1HA GLY 40 1HA GLY 40 1.292 -2.630 17.630 323 2HA GLY 40 2HA GLY 40 2.757 -3.547 17.961 324 H THR 41 H THR 41 3.032 -2.235 14.999 325 HA THR 41 HA THR 41 5.049 -0.368 15.801 326 HB THR 41 HB THR 41 3.821 -0.612 13.074 327 HG1 THR 41 HG1 THR 41 5.371 -2.400 14.604 328 1HG2 THR 41 1HG2 THR 41 6.637 -0.089 14.030 329 2HG2 THR 41 2HG2 THR 41 5.528 1.102 13.331 330 3HG2 THR 41 3HG2 THR 41 6.147 -0.215 12.343 331 H THR 42 H THR 42 5.003 1.918 14.825 332 HA THR 42 HA THR 42 2.411 3.165 15.265 333 HB THR 42 HB THR 42 3.755 5.248 15.535 334 HG1 THR 42 HG1 THR 42 5.817 5.239 15.210 335 1HG2 THR 42 1HG2 THR 42 4.722 4.661 17.720 336 2HG2 THR 42 2HG2 THR 42 4.547 2.949 17.323 337 3HG2 THR 42 3HG2 THR 42 3.117 3.963 17.507 338 H VAL 43 H VAL 43 2.385 5.381 13.900 339 HA VAL 43 HA VAL 43 1.902 4.625 11.247 340 HB VAL 43 HB VAL 43 2.285 7.428 12.326 341 1HG1 VAL 43 1HG1 VAL 43 0.903 6.500 9.813 342 2HG1 VAL 43 2HG1 VAL 43 2.416 7.394 9.902 343 3HG1 VAL 43 3HG1 VAL 43 0.915 8.154 10.427 344 1HG2 VAL 43 1HG2 VAL 43 0.551 6.229 13.529 345 2HG2 VAL 43 2HG2 VAL 43 -0.224 5.789 12.007 346 3HG2 VAL 43 3HG2 VAL 43 -0.159 7.480 12.509 347 H ASP 44 H ASP 44 4.602 6.503 12.574 348 HA ASP 44 HA ASP 44 5.757 6.939 9.998 349 1HB ASP 44 1HB ASP 44 6.094 8.532 11.844 350 2HB ASP 44 2HB ASP 44 6.986 7.289 12.709 351 H SER 45 H SER 45 6.262 4.585 12.577 352 HA SER 45 HA SER 45 8.619 3.620 11.401 353 1HB SER 45 1HB SER 45 6.901 2.689 13.655 354 2HB SER 45 2HB SER 45 8.483 2.052 13.199 355 HG SER 45 HG SER 45 9.116 4.387 13.383 356 H MET 46 H MET 46 5.465 3.260 10.616 357 HA MET 46 HA MET 46 5.785 0.481 9.700 358 1HB MET 46 1HB MET 46 3.596 1.220 10.715 359 2HB MET 46 2HB MET 46 3.412 2.345 9.384 360 1HG MET 46 1HG MET 46 2.095 0.588 8.650 361 2HG MET 46 2HG MET 46 3.630 0.204 7.916 362 1HE MET 46 1HE MET 46 4.856 -2.830 10.168 363 2HE MET 46 2HE MET 46 5.246 -1.170 10.528 364 3HE MET 46 3HE MET 46 5.286 -1.736 8.847 365 H ARG 47 H ARG 47 6.883 0.355 7.824 366 HA ARG 47 HA ARG 47 6.581 2.601 5.981 367 1HB ARG 47 1HB ARG 47 8.870 1.744 6.821 368 2HB ARG 47 2HB ARG 47 8.581 0.362 5.775 369 1HG ARG 47 1HG ARG 47 9.986 1.915 4.657 370 2HG ARG 47 2HG ARG 47 8.407 1.903 3.856 371 1HD ARG 47 1HD ARG 47 7.788 3.933 5.115 372 2HD ARG 47 2HD ARG 47 9.382 3.941 5.859 373 HE ARG 47 HE ARG 47 9.790 3.914 3.141 374 1HH1 ARG 47 1HH1 ARG 47 8.322 6.082 5.519 375 2HH1 ARG 47 2HH1 ARG 47 8.581 7.487 4.607 376 1HH2 ARG 47 1HH2 ARG 47 10.113 5.805 1.886 377 2HH2 ARG 47 2HH2 ARG 47 9.629 7.349 2.468 378 H ILE 48 H ILE 48 5.761 2.255 3.907 379 HA ILE 48 HA ILE 48 4.555 -0.400 3.480 380 HB ILE 48 HB ILE 48 3.377 2.316 2.846 381 1HG1 ILE 48 1HG1 ILE 48 3.287 1.763 5.235 382 2HG1 ILE 48 2HG1 ILE 48 1.676 1.777 4.541 383 1HG2 ILE 48 1HG2 ILE 48 2.198 -0.419 2.371 384 2HG2 ILE 48 2HG2 ILE 48 2.745 0.714 1.135 385 3HG2 ILE 48 3HG2 ILE 48 1.356 1.116 2.143 386 1HD1 ILE 48 1HD1 ILE 48 3.330 -0.653 5.198 387 2HD1 ILE 48 2HD1 ILE 48 1.735 -0.680 4.450 388 3HD1 ILE 48 3HD1 ILE 48 1.927 -0.059 6.086 389 H GLN 49 H GLN 49 5.275 -1.357 1.734 390 HA GLN 49 HA GLN 49 6.201 0.237 -0.527 391 1HB GLN 49 1HB GLN 49 7.009 -2.524 0.330 392 2HB GLN 49 2HB GLN 49 7.418 -1.870 -1.245 393 1HG GLN 49 1HG GLN 49 9.300 -1.659 0.146 394 2HG GLN 49 2HG GLN 49 8.628 -0.051 -0.057 395 1HE2 GLN 49 1HE2 GLN 49 9.623 0.707 1.753 396 2HE2 GLN 49 2HE2 GLN 49 9.134 0.212 3.329 397 H LEU 50 H LEU 50 5.543 -0.373 -2.624 398 HA LEU 50 HA LEU 50 3.282 -2.262 -2.741 399 1HB LEU 50 1HB LEU 50 2.775 0.109 -3.320 400 2HB LEU 50 2HB LEU 50 3.964 0.057 -4.591 401 HG LEU 50 HG LEU 50 1.320 -1.529 -4.650 402 1HD1 LEU 50 1HD1 LEU 50 0.577 0.123 -6.210 403 2HD1 LEU 50 2HD1 LEU 50 2.083 1.018 -6.024 404 3HD1 LEU 50 3HD1 LEU 50 0.974 0.872 -4.663 405 1HD2 LEU 50 1HD2 LEU 50 1.826 -1.802 -7.000 406 2HD2 LEU 50 2HD2 LEU 50 3.138 -2.494 -6.044 407 3HD2 LEU 50 3HD2 LEU 50 3.332 -0.913 -6.810 408 H PHE 51 H PHE 51 3.656 -4.117 -3.687 409 HA PHE 51 HA PHE 51 5.815 -4.351 -5.665 410 1HB PHE 51 1HB PHE 51 4.882 -6.298 -3.562 411 2HB PHE 51 2HB PHE 51 5.803 -6.814 -4.963 412 HD1 PHE 51 HD1 PHE 51 5.913 -4.704 -1.919 413 HD2 PHE 51 HD2 PHE 51 8.120 -6.595 -5.017 414 HE1 PHE 51 HE1 PHE 51 8.010 -4.251 -0.709 415 HE2 PHE 51 HE2 PHE 51 10.211 -6.142 -3.820 416 HZ PHE 51 HZ PHE 51 10.160 -4.968 -1.666 417 H ASP 52 H ASP 52 5.477 -5.732 -7.347 418 HA ASP 52 HA ASP 52 2.653 -6.427 -7.927 419 1HB ASP 52 1HB ASP 52 3.784 -4.788 -9.479 420 2HB ASP 52 2HB ASP 52 4.931 -6.044 -9.934 421 H GLY 53 H GLY 53 3.486 -8.136 -10.058 422 1HA GLY 53 1HA GLY 53 4.278 -10.442 -8.410 423 2HA GLY 53 2HA GLY 53 3.399 -10.531 -9.933 424 H ASP 54 H ASP 54 5.788 -8.299 -10.264 425 HA ASP 54 HA ASP 54 7.321 -9.802 -12.092 426 1HB ASP 54 1HB ASP 54 8.251 -7.343 -10.584 427 2HB ASP 54 2HB ASP 54 8.900 -7.992 -12.070 428 H ASP 55 H ASP 55 8.497 -8.259 -9.163 429 HA ASP 55 HA ASP 55 9.539 -10.311 -7.725 430 1HB ASP 55 1HB ASP 55 10.968 -10.857 -9.625 431 2HB ASP 55 2HB ASP 55 11.540 -9.197 -9.709 432 H GLN 56 H GLN 56 10.596 -7.205 -9.134 433 HA GLN 56 HA GLN 56 11.410 -6.388 -6.514 434 1HB GLN 56 1HB GLN 56 12.581 -4.578 -7.561 435 2HB GLN 56 2HB GLN 56 13.037 -6.095 -8.295 436 1HG GLN 56 1HG GLN 56 11.214 -3.988 -9.467 437 2HG GLN 56 2HG GLN 56 12.874 -4.308 -9.944 438 1HE2 GLN 56 1HE2 GLN 56 13.308 -6.219 -11.096 439 2HE2 GLN 56 2HE2 GLN 56 12.083 -7.041 -11.965 440 H LEU 57 H LEU 57 11.172 -4.103 -6.042 441 HA LEU 57 HA LEU 57 8.430 -3.513 -5.471 442 1HB LEU 57 1HB LEU 57 10.393 -3.323 -3.965 443 2HB LEU 57 2HB LEU 57 11.057 -2.099 -4.994 444 HG LEU 57 HG LEU 57 8.474 -1.681 -3.467 445 1HD1 LEU 57 1HD1 LEU 57 11.331 -1.137 -2.654 446 2HD1 LEU 57 2HD1 LEU 57 10.269 -2.334 -1.917 447 3HD1 LEU 57 3HD1 LEU 57 9.899 -0.612 -1.776 448 1HD2 LEU 57 1HD2 LEU 57 9.014 -0.059 -5.252 449 2HD2 LEU 57 2HD2 LEU 57 10.595 0.197 -4.481 450 3HD2 LEU 57 3HD2 LEU 57 9.117 0.628 -3.624 451 H LYS 58 H LYS 58 7.094 -2.053 -6.229 452 HA LYS 58 HA LYS 58 7.690 -0.702 -8.768 453 1HB LYS 58 1HB LYS 58 5.267 -1.486 -7.264 454 2HB LYS 58 2HB LYS 58 5.148 -0.050 -8.253 455 1HG LYS 58 1HG LYS 58 4.268 -2.133 -9.302 456 2HG LYS 58 2HG LYS 58 5.491 -1.323 -10.250 457 1HD LYS 58 1HD LYS 58 6.190 -3.633 -8.463 458 2HD LYS 58 2HD LYS 58 5.508 -3.895 -10.067 459 1HE LYS 58 1HE LYS 58 7.350 -2.526 -11.013 460 2HE LYS 58 2HE LYS 58 8.064 -2.443 -9.402 461 1HZ LYS 58 1HZ LYS 58 9.019 -4.157 -10.789 462 2HZ LYS 58 2HZ LYS 58 7.521 -4.939 -10.886 463 3HZ LYS 58 3HZ LYS 58 8.320 -4.788 -9.392 464 H GLY 59 H GLY 59 6.768 0.061 -5.470 465 1HA GLY 59 1HA GLY 59 7.935 2.631 -5.609 466 2HA GLY 59 2HA GLY 59 6.192 2.752 -5.823 467 H GLU 60 H GLU 60 7.367 3.959 -3.708 468 HA GLU 60 HA GLU 60 6.484 2.278 -1.488 469 1HB GLU 60 1HB GLU 60 8.944 2.550 -1.516 470 2HB GLU 60 2HB GLU 60 8.741 4.289 -1.511 471 1HG GLU 60 1HG GLU 60 7.802 4.214 0.695 472 2HG GLU 60 2HG GLU 60 7.845 2.450 0.685 473 H LEU 61 H LEU 61 4.792 3.071 -0.607 474 HA LEU 61 HA LEU 61 3.813 5.688 -1.476 475 1HB LEU 61 1HB LEU 61 2.379 3.422 -0.124 476 2HB LEU 61 2HB LEU 61 1.632 4.947 -0.538 477 HG LEU 61 HG LEU 61 1.991 4.450 -2.944 478 1HD1 LEU 61 1HD1 LEU 61 3.958 3.031 -2.790 479 2HD1 LEU 61 2HD1 LEU 61 2.652 2.237 -3.669 480 3HD1 LEU 61 3HD1 LEU 61 2.998 1.782 -1.996 481 1HD2 LEU 61 1HD2 LEU 61 -0.073 3.859 -1.908 482 2HD2 LEU 61 2HD2 LEU 61 0.579 2.293 -1.413 483 3HD2 LEU 61 3HD2 LEU 61 0.354 2.660 -3.126 484 H THR 62 H THR 62 2.865 4.379 1.310 485 HA THR 62 HA THR 62 2.836 4.849 3.508 486 HB THR 62 HB THR 62 4.357 6.399 4.640 487 HG1 THR 62 HG1 THR 62 4.983 7.212 2.007 488 1HG2 THR 62 1HG2 THR 62 5.157 4.160 4.180 489 2HG2 THR 62 2HG2 THR 62 6.493 5.308 4.047 490 3HG2 THR 62 3HG2 THR 62 5.733 4.670 2.591 491 H ASP 63 H ASP 63 1.635 6.848 1.240 492 HA ASP 63 HA ASP 63 0.593 8.813 3.138 493 1HB ASP 63 1HB ASP 63 0.087 8.636 0.160 494 2HB ASP 63 2HB ASP 63 -0.507 9.851 1.227 495 H GLY 64 H GLY 64 -1.278 8.628 4.028 496 1HA GLY 64 1HA GLY 64 -3.227 6.902 2.695 497 2HA GLY 64 2HA GLY 64 -3.064 6.812 4.436 498 H ALA 65 H ALA 65 -2.617 9.953 3.384 499 HA ALA 65 HA ALA 65 -5.142 10.836 4.332 500 1HB ALA 65 1HB ALA 65 -4.445 13.040 3.461 501 2HB ALA 65 2HB ALA 65 -3.093 12.276 2.622 502 3HB ALA 65 3HB ALA 65 -3.149 12.281 4.384 503 H LYS 66 H LYS 66 -3.948 9.625 1.419 504 HA LYS 66 HA LYS 66 -6.385 10.363 -0.008 505 1HB LYS 66 1HB LYS 66 -5.080 9.872 -2.059 506 2HB LYS 66 2HB LYS 66 -4.424 11.203 -1.120 507 1HG LYS 66 1HG LYS 66 -2.659 9.814 -0.263 508 2HG LYS 66 2HG LYS 66 -3.364 8.388 -1.023 509 1HD LYS 66 1HD LYS 66 -1.488 9.207 -2.327 510 2HD LYS 66 2HD LYS 66 -2.985 9.394 -3.234 511 1HE LYS 66 1HE LYS 66 -3.012 11.792 -2.494 512 2HE LYS 66 2HE LYS 66 -1.415 11.526 -1.790 513 1HZ LYS 66 1HZ LYS 66 -0.619 10.884 -4.006 514 2HZ LYS 66 2HZ LYS 66 -1.249 12.450 -4.027 515 3HZ LYS 66 3HZ LYS 66 -2.174 11.157 -4.609 516 H SER 67 H SER 67 -7.001 8.514 -1.648 517 HA SER 67 HA SER 67 -7.131 6.130 -0.097 518 1HB SER 67 1HB SER 67 -8.660 5.538 -1.978 519 2HB SER 67 2HB SER 67 -9.186 6.814 -0.894 520 HG SER 67 HG SER 67 -9.425 7.871 -2.744 521 H LEU 68 H LEU 68 -7.013 4.075 -1.309 522 HA LEU 68 HA LEU 68 -4.546 3.689 -2.487 523 1HB LEU 68 1HB LEU 68 -7.090 2.180 -2.301 524 2HB LEU 68 2HB LEU 68 -5.695 1.510 -3.105 525 HG LEU 68 HG LEU 68 -6.174 0.786 -0.847 526 1HD1 LEU 68 1HD1 LEU 68 -3.456 2.100 -1.275 527 2HD1 LEU 68 2HD1 LEU 68 -3.921 0.481 -1.797 528 3HD1 LEU 68 3HD1 LEU 68 -3.747 0.834 -0.080 529 1HD2 LEU 68 1HD2 LEU 68 -5.193 3.484 0.029 530 2HD2 LEU 68 2HD2 LEU 68 -5.348 2.099 1.108 531 3HD2 LEU 68 3HD2 LEU 68 -6.776 2.764 0.317 532 H LYS 69 H LYS 69 -7.662 4.496 -3.757 533 HA LYS 69 HA LYS 69 -7.198 3.826 -6.460 534 1HB LYS 69 1HB LYS 69 -9.460 4.237 -5.479 535 2HB LYS 69 2HB LYS 69 -9.045 5.915 -5.250 536 1HG LYS 69 1HG LYS 69 -9.191 4.620 -7.975 537 2HG LYS 69 2HG LYS 69 -10.580 5.366 -7.194 538 1HD LYS 69 1HD LYS 69 -9.354 7.508 -7.124 539 2HD LYS 69 2HD LYS 69 -7.988 6.740 -7.929 540 1HE LYS 69 1HE LYS 69 -9.364 6.292 -9.879 541 2HE LYS 69 2HE LYS 69 -10.772 6.984 -9.073 542 1HZ LYS 69 1HZ LYS 69 -9.581 9.101 -8.972 543 2HZ LYS 69 2HZ LYS 69 -9.845 8.578 -10.539 544 3HZ LYS 69 3HZ LYS 69 -8.304 8.455 -9.874 545 H ASP 70 H ASP 70 -6.598 6.707 -4.524 546 HA ASP 70 HA ASP 70 -5.656 8.333 -6.710 547 1HB ASP 70 1HB ASP 70 -6.578 9.133 -4.468 548 2HB ASP 70 2HB ASP 70 -5.047 8.649 -3.777 549 H LEU 71 H LEU 71 -4.336 6.202 -4.356 550 HA LEU 71 HA LEU 71 -1.552 6.778 -4.708 551 1HB LEU 71 1HB LEU 71 -2.996 4.441 -3.490 552 2HB LEU 71 2HB LEU 71 -1.255 4.571 -3.510 553 HG LEU 71 HG LEU 71 -3.032 6.624 -2.128 554 1HD1 LEU 71 1HD1 LEU 71 -3.369 4.476 -1.087 555 2HD1 LEU 71 2HD1 LEU 71 -2.417 5.559 -0.080 556 3HD1 LEU 71 3HD1 LEU 71 -1.629 4.244 -0.936 557 1HD2 LEU 71 1HD2 LEU 71 -0.769 7.364 -2.799 558 2HD2 LEU 71 2HD2 LEU 71 -0.088 5.994 -1.926 559 3HD2 LEU 71 3HD2 LEU 71 -0.970 7.247 -1.053 560 H GLY 72 H GLY 72 -3.761 5.006 -6.572 561 1HA GLY 72 1HA GLY 72 -3.343 4.105 -8.685 562 2HA GLY 72 2HA GLY 72 -1.619 4.238 -8.362 563 H VAL 73 H VAL 73 -3.645 2.744 -6.024 564 HA VAL 73 HA VAL 73 -2.289 0.237 -6.569 565 HB VAL 73 HB VAL 73 -4.087 1.004 -4.256 566 1HG1 VAL 73 1HG1 VAL 73 -2.259 -1.364 -4.648 567 2HG1 VAL 73 2HG1 VAL 73 -4.021 -1.399 -4.631 568 3HG1 VAL 73 3HG1 VAL 73 -3.132 -0.987 -3.165 569 1HG2 VAL 73 1HG2 VAL 73 -1.080 0.897 -4.425 570 2HG2 VAL 73 2HG2 VAL 73 -2.010 1.189 -2.955 571 3HG2 VAL 73 3HG2 VAL 73 -2.060 2.354 -4.279 572 H ARG 74 H ARG 74 -3.295 -1.083 -7.884 573 HA ARG 74 HA ARG 74 -6.223 -1.135 -7.935 574 1HB ARG 74 1HB ARG 74 -4.211 -2.255 -9.925 575 2HB ARG 74 2HB ARG 74 -5.929 -2.545 -10.015 576 1HG ARG 74 1HG ARG 74 -5.366 -0.853 -11.617 577 2HG ARG 74 2HG ARG 74 -6.279 -0.091 -10.329 578 1HD ARG 74 1HD ARG 74 -4.152 0.748 -9.370 579 2HD ARG 74 2HD ARG 74 -3.284 -0.006 -10.706 580 HE ARG 74 HE ARG 74 -5.351 1.736 -11.595 581 1HH1 ARG 74 1HH1 ARG 74 -1.971 1.721 -10.498 582 2HH1 ARG 74 2HH1 ARG 74 -1.597 3.213 -11.230 583 1HH2 ARG 74 1HH2 ARG 74 -4.775 3.792 -12.610 584 2HH2 ARG 74 2HH2 ARG 74 -3.180 4.380 -12.436 585 H ASP 75 H ASP 75 -6.814 -3.640 -8.611 586 HA ASP 75 HA ASP 75 -6.075 -5.113 -6.243 587 1HB ASP 75 1HB ASP 75 -7.592 -6.849 -7.035 588 2HB ASP 75 2HB ASP 75 -8.369 -5.277 -7.077 589 H GLY 76 H GLY 76 -5.353 -7.299 -6.363 590 1HA GLY 76 1HA GLY 76 -3.936 -9.016 -7.201 591 2HA GLY 76 2HA GLY 76 -3.889 -8.157 -8.733 592 H TYR 77 H TYR 77 -3.151 -6.275 -6.022 593 HA TYR 77 HA TYR 77 -0.304 -6.435 -6.672 594 1HB TYR 77 1HB TYR 77 -1.974 -4.139 -5.726 595 2HB TYR 77 2HB TYR 77 -0.227 -4.143 -5.514 596 HD1 TYR 77 HD1 TYR 77 -2.927 -4.230 -8.075 597 HD2 TYR 77 HD2 TYR 77 1.207 -3.697 -7.291 598 HE1 TYR 77 HE1 TYR 77 -2.595 -3.400 -10.374 599 HE2 TYR 77 HE2 TYR 77 1.546 -2.864 -9.564 600 HH TYR 77 HH TYR 77 0.541 -2.980 -11.669 601 H ARG 78 H ARG 78 1.224 -6.152 -5.027 602 HA ARG 78 HA ARG 78 0.311 -7.382 -2.549 603 1HB ARG 78 1HB ARG 78 2.981 -7.452 -3.947 604 2HB ARG 78 2HB ARG 78 2.712 -8.082 -2.329 605 1HG ARG 78 1HG ARG 78 1.157 -9.704 -3.168 606 2HG ARG 78 2HG ARG 78 1.260 -9.018 -4.792 607 1HD ARG 78 1HD ARG 78 3.582 -9.674 -4.936 608 2HD ARG 78 2HD ARG 78 3.550 -10.248 -3.271 609 HE ARG 78 HE ARG 78 1.853 -11.861 -4.005 610 1HH1 ARG 78 1HH1 ARG 78 4.158 -10.565 -6.390 611 2HH1 ARG 78 2HH1 ARG 78 4.077 -11.935 -7.382 612 1HH2 ARG 78 1HH2 ARG 78 1.761 -13.742 -5.450 613 2HH2 ARG 78 2HH2 ARG 78 2.696 -13.746 -6.872 614 H ILE 79 H ILE 79 0.328 -6.156 -0.870 615 HA ILE 79 HA ILE 79 1.952 -3.719 -0.903 616 HB ILE 79 HB ILE 79 -0.412 -4.442 0.855 617 1HG1 ILE 79 1HG1 ILE 79 -1.068 -3.893 -1.425 618 2HG1 ILE 79 2HG1 ILE 79 -1.577 -2.626 -0.307 619 1HG2 ILE 79 1HG2 ILE 79 1.200 -1.892 0.809 620 2HG2 ILE 79 2HG2 ILE 79 1.168 -3.086 2.108 621 3HG2 ILE 79 3HG2 ILE 79 -0.282 -2.151 1.735 622 1HD1 ILE 79 1HD1 ILE 79 -0.743 -1.680 -2.382 623 2HD1 ILE 79 2HD1 ILE 79 0.789 -2.521 -2.178 624 3HD1 ILE 79 3HD1 ILE 79 0.323 -1.249 -1.044 625 H HIS 80 H HIS 80 3.621 -3.607 0.318 626 HA HIS 80 HA HIS 80 4.058 -5.783 2.217 627 1HB HIS 80 1HB HIS 80 5.621 -5.882 0.400 628 2HB HIS 80 2HB HIS 80 6.000 -4.174 0.563 629 HD1 HIS 80 HD1 HIS 80 6.460 -7.451 2.304 630 HD2 HIS 80 HD2 HIS 80 7.968 -3.607 2.294 631 HE1 HIS 80 HE1 HIS 80 8.321 -7.528 3.967 632 HE2 HIS 80 HE2 HIS 80 9.505 -5.287 3.567 633 H ALA 81 H ALA 81 4.201 -5.295 4.276 634 HA ALA 81 HA ALA 81 4.759 -2.517 4.999 635 1HB ALA 81 1HB ALA 81 3.600 -3.024 7.096 636 2HB ALA 81 2HB ALA 81 3.316 -4.676 6.530 637 3HB ALA 81 3HB ALA 81 2.577 -3.310 5.687 638 H VAL 82 H VAL 82 6.381 -2.128 6.422 639 HA VAL 82 HA VAL 82 7.719 -4.377 7.642 640 HB VAL 82 HB VAL 82 8.825 -4.015 5.479 641 1HG1 VAL 82 1HG1 VAL 82 10.161 -2.017 5.022 642 2HG1 VAL 82 2HG1 VAL 82 9.494 -1.276 6.473 643 3HG1 VAL 82 3HG1 VAL 82 8.427 -1.680 5.120 644 1HG2 VAL 82 1HG2 VAL 82 11.143 -3.859 6.278 645 2HG2 VAL 82 2HG2 VAL 82 10.160 -4.863 7.348 646 3HG2 VAL 82 3HG2 VAL 82 10.560 -3.212 7.805 647 H ASP 83 H ASP 83 8.413 -3.864 9.718 648 HA ASP 83 HA ASP 83 7.766 -1.255 10.567 649 1HB ASP 83 1HB ASP 83 7.939 -2.082 12.688 650 2HB ASP 83 2HB ASP 83 7.299 -3.432 11.801 651 H VAL 84 H VAL 84 9.155 0.212 11.137 652 HA VAL 84 HA VAL 84 12.010 -0.324 10.700 653 HB VAL 84 HB VAL 84 10.648 2.366 10.765 654 1HG1 VAL 84 1HG1 VAL 84 12.563 3.121 9.450 655 2HG1 VAL 84 2HG1 VAL 84 13.229 1.487 9.524 656 3HG1 VAL 84 3HG1 VAL 84 13.054 2.436 11.007 657 1HG2 VAL 84 1HG2 VAL 84 9.553 1.119 9.008 658 2HG2 VAL 84 2HG2 VAL 84 11.110 0.656 8.325 659 3HG2 VAL 84 3HG2 VAL 84 10.600 2.347 8.292 660 H THR 85 H THR 85 9.941 -0.468 13.090 661 HA THR 85 HA THR 85 11.078 1.443 14.932 662 HB THR 85 HB THR 85 8.679 1.060 15.039 663 HG1 THR 85 HG1 THR 85 10.130 0.150 17.317 664 1HG2 THR 85 1HG2 THR 85 7.725 -1.081 15.830 665 2HG2 THR 85 2HG2 THR 85 9.344 -1.782 15.813 666 3HG2 THR 85 3HG2 THR 85 8.599 -1.259 14.308 667 H GLY 86 H GLY 86 11.158 -1.989 14.352 668 1HA GLY 86 1HA GLY 86 13.119 -2.203 16.530 669 2HA GLY 86 2HA GLY 86 12.227 -3.552 15.829 670 H GLY 87 H GLY 87 12.963 -1.539 13.434 671 1HA GLY 87 1HA GLY 87 14.343 -1.765 11.577 672 2HA GLY 87 2HA GLY 87 15.624 -2.083 12.743 673 H ASN 88 H ASN 88 12.676 -3.968 12.148 674 HA ASN 88 HA ASN 88 14.280 -6.349 12.069 675 1HB ASN 88 1HB ASN 88 12.297 -6.308 13.484 676 2HB ASN 88 2HB ASN 88 11.293 -5.854 12.115 677 1HD2 ASN 88 1HD2 ASN 88 10.658 -7.415 10.694 678 2HD2 ASN 88 2HD2 ASN 88 10.922 -9.100 10.981 679 H GLU 89 H GLU 89 14.672 -7.482 10.294 680 HA GLU 89 HA GLU 89 14.945 -7.959 8.158 681 1HB GLU 89 1HB GLU 89 12.553 -8.412 8.018 682 2HB GLU 89 2HB GLU 89 12.210 -6.700 7.819 683 1HG GLU 89 1HG GLU 89 11.997 -7.837 5.721 684 2HG GLU 89 2HG GLU 89 13.360 -6.714 5.706 685 H ASP 90 H ASP 90 16.707 -6.632 8.061 686 HA ASP 90 HA ASP 90 16.487 -4.413 6.244 687 1HB ASP 90 1HB ASP 90 16.099 -3.387 8.495 688 2HB ASP 90 2HB ASP 90 17.655 -4.020 9.015
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